USER MOD reduce.3.24.130724 H: found=0, std=0, add=466, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 467 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 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 163:sc= -0.0154 (180deg=-0.298) USER MOD Single : A 26 CYS SG : rot 180:sc= -0.158 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0132 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 56:sc= 1.02 USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 42 ASN : amide:sc=-0.00752 K(o=-0.0075,f=-1.5!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.209 K(o=-0.21,f=-1.4!) USER MOD Single : A 51 MET CE :methyl 149:sc= -0.32 (180deg=-1.53!) USER MOD Single : A 53 SER OG : rot -23:sc= -0.513 USER MOD Single : A 60 ASN : amide:sc= -3.57! C(o=-3.6!,f=-6!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -128:sc= -0.0697 (180deg=-0.163) USER MOD ----------------------------------------------------------------- ATOM 121 N ILE A 9 -14.986 -7.352 3.236 1.00 0.00 N ATOM 122 CA ILE A 9 -14.687 -5.962 3.557 1.00 0.00 C ATOM 123 C ILE A 9 -13.758 -5.892 4.765 1.00 0.00 C ATOM 124 O ILE A 9 -12.797 -5.122 4.773 1.00 0.00 O ATOM 125 CB ILE A 9 -15.983 -5.188 3.846 1.00 0.00 C ATOM 126 CG1 ILE A 9 -16.828 -5.073 2.554 1.00 0.00 C ATOM 127 CG2 ILE A 9 -15.644 -3.782 4.382 1.00 0.00 C ATOM 128 CD1 ILE A 9 -16.383 -3.869 1.710 1.00 0.00 C ATOM 0 HA ILE A 9 -14.191 -5.506 2.700 1.00 0.00 H new ATOM 0 HB ILE A 9 -16.560 -5.726 4.599 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -16.731 -5.988 1.969 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -17.882 -4.971 2.812 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -16.566 -3.238 4.585 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -15.066 -3.873 5.302 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -15.059 -3.240 3.638 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -16.993 -3.811 0.808 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -16.505 -2.954 2.289 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -15.335 -3.986 1.433 1.00 0.00 H new ATOM 140 N VAL A 10 -14.044 -6.696 5.783 1.00 0.00 N ATOM 141 CA VAL A 10 -13.214 -6.702 6.977 1.00 0.00 C ATOM 142 C VAL A 10 -11.810 -7.179 6.628 1.00 0.00 C ATOM 143 O VAL A 10 -10.823 -6.583 7.057 1.00 0.00 O ATOM 144 CB VAL A 10 -13.827 -7.605 8.052 1.00 0.00 C ATOM 145 CG1 VAL A 10 -12.851 -7.746 9.223 1.00 0.00 C ATOM 146 CG2 VAL A 10 -15.134 -6.980 8.553 1.00 0.00 C ATOM 0 H VAL A 10 -14.833 -7.342 5.805 1.00 0.00 H new ATOM 0 HA VAL A 10 -13.158 -5.687 7.371 1.00 0.00 H new ATOM 0 HB VAL A 10 -14.028 -8.589 7.628 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -13.289 -8.389 9.987 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -11.919 -8.187 8.869 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -12.649 -6.763 9.649 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -15.573 -7.620 9.318 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -14.928 -5.997 8.976 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -15.831 -6.878 7.721 1.00 0.00 H new ATOM 156 N ASP A 11 -11.721 -8.248 5.840 1.00 0.00 N ATOM 157 CA ASP A 11 -10.419 -8.767 5.446 1.00 0.00 C ATOM 158 C ASP A 11 -9.649 -7.704 4.669 1.00 0.00 C ATOM 159 O ASP A 11 -8.459 -7.490 4.904 1.00 0.00 O ATOM 160 CB ASP A 11 -10.586 -10.025 4.585 1.00 0.00 C ATOM 161 CG ASP A 11 -9.248 -10.747 4.449 1.00 0.00 C ATOM 162 OD1 ASP A 11 -8.507 -10.768 5.420 1.00 0.00 O ATOM 163 OD2 ASP A 11 -8.982 -11.267 3.378 1.00 0.00 O ATOM 0 H ASP A 11 -12.520 -8.762 5.469 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.860 -9.029 6.344 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.323 -10.689 5.037 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -10.964 -9.753 3.599 1.00 0.00 H new ATOM 168 N PHE A 12 -10.334 -7.042 3.741 1.00 0.00 N ATOM 169 CA PHE A 12 -9.696 -6.004 2.938 1.00 0.00 C ATOM 170 C PHE A 12 -9.270 -4.842 3.830 1.00 0.00 C ATOM 171 O PHE A 12 -8.128 -4.378 3.763 1.00 0.00 O ATOM 172 CB PHE A 12 -10.664 -5.503 1.848 1.00 0.00 C ATOM 173 CG PHE A 12 -10.599 -6.415 0.637 1.00 0.00 C ATOM 174 CD1 PHE A 12 -10.647 -7.805 0.795 1.00 0.00 C ATOM 175 CD2 PHE A 12 -10.482 -5.867 -0.647 1.00 0.00 C ATOM 176 CE1 PHE A 12 -10.575 -8.640 -0.323 1.00 0.00 C ATOM 177 CE2 PHE A 12 -10.414 -6.705 -1.764 1.00 0.00 C ATOM 178 CZ PHE A 12 -10.463 -8.091 -1.603 1.00 0.00 C ATOM 0 H PHE A 12 -11.318 -7.203 3.528 1.00 0.00 H new ATOM 0 HA PHE A 12 -8.813 -6.426 2.457 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -11.681 -5.475 2.238 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -10.405 -4.484 1.560 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -10.740 -8.233 1.782 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -10.444 -4.795 -0.774 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -10.606 -9.712 -0.197 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -10.323 -6.280 -2.753 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.414 -8.738 -2.467 1.00 0.00 H new ATOM 188 N LYS A 13 -10.191 -4.363 4.658 1.00 0.00 N ATOM 189 CA LYS A 13 -9.898 -3.248 5.544 1.00 0.00 C ATOM 190 C LYS A 13 -8.815 -3.653 6.550 1.00 0.00 C ATOM 191 O LYS A 13 -7.977 -2.842 6.937 1.00 0.00 O ATOM 192 CB LYS A 13 -11.185 -2.816 6.283 1.00 0.00 C ATOM 193 CG LYS A 13 -11.165 -1.309 6.582 1.00 0.00 C ATOM 194 CD LYS A 13 -9.889 -0.926 7.335 1.00 0.00 C ATOM 195 CE LYS A 13 -10.067 0.451 7.981 1.00 0.00 C ATOM 196 NZ LYS A 13 -8.799 0.848 8.656 1.00 0.00 N ATOM 0 H LYS A 13 -11.141 -4.728 4.733 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.531 -2.407 4.956 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.057 -3.059 5.676 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -11.279 -3.375 7.214 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.226 -0.747 5.650 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.039 -1.039 7.175 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -9.668 -1.671 8.099 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.041 -0.911 6.650 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.335 1.188 7.224 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.883 0.424 8.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.918 1.783 9.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.562 0.149 9.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.031 0.890 7.956 1.00 0.00 H new ATOM 210 N GLU A 14 -8.819 -4.917 6.961 1.00 0.00 N ATOM 211 CA GLU A 14 -7.818 -5.387 7.909 1.00 0.00 C ATOM 212 C GLU A 14 -6.443 -5.339 7.285 1.00 0.00 C ATOM 213 O GLU A 14 -5.460 -4.992 7.933 1.00 0.00 O ATOM 214 CB GLU A 14 -8.129 -6.811 8.319 1.00 0.00 C ATOM 215 CG GLU A 14 -7.169 -7.252 9.431 1.00 0.00 C ATOM 216 CD GLU A 14 -7.543 -8.649 9.922 1.00 0.00 C ATOM 217 OE1 GLU A 14 -7.752 -9.514 9.088 1.00 0.00 O ATOM 218 OE2 GLU A 14 -7.613 -8.834 11.128 1.00 0.00 O ATOM 0 H GLU A 14 -9.491 -5.622 6.659 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.837 -4.739 8.786 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.160 -6.882 8.666 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.035 -7.475 7.460 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.144 -7.251 9.059 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.209 -6.544 10.259 1.00 0.00 H new ATOM 225 N ALA A 15 -6.386 -5.672 6.015 1.00 0.00 N ATOM 226 CA ALA A 15 -5.115 -5.642 5.307 1.00 0.00 C ATOM 227 C ALA A 15 -4.613 -4.204 5.186 1.00 0.00 C ATOM 228 O ALA A 15 -3.416 -3.947 5.323 1.00 0.00 O ATOM 229 CB ALA A 15 -5.240 -6.265 3.915 1.00 0.00 C ATOM 0 H ALA A 15 -7.187 -5.963 5.454 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.398 -6.229 5.881 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.274 -6.227 3.412 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.561 -7.303 4.008 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.975 -5.709 3.332 1.00 0.00 H new ATOM 235 N PHE A 16 -5.527 -3.265 4.939 1.00 0.00 N ATOM 236 CA PHE A 16 -5.144 -1.861 4.817 1.00 0.00 C ATOM 237 C PHE A 16 -4.719 -1.291 6.169 1.00 0.00 C ATOM 238 O PHE A 16 -3.681 -0.640 6.279 1.00 0.00 O ATOM 239 CB PHE A 16 -6.323 -1.055 4.277 1.00 0.00 C ATOM 240 CG PHE A 16 -5.910 0.383 4.100 1.00 0.00 C ATOM 241 CD1 PHE A 16 -5.253 0.782 2.932 1.00 0.00 C ATOM 242 CD2 PHE A 16 -6.187 1.320 5.102 1.00 0.00 C ATOM 243 CE1 PHE A 16 -4.878 2.118 2.760 1.00 0.00 C ATOM 244 CE2 PHE A 16 -5.810 2.659 4.929 1.00 0.00 C ATOM 245 CZ PHE A 16 -5.155 3.054 3.758 1.00 0.00 C ATOM 0 H PHE A 16 -6.523 -3.448 4.821 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.300 -1.794 4.131 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -6.654 -1.469 3.325 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -7.167 -1.120 4.964 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.035 0.057 2.162 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -6.690 1.012 6.007 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.374 2.426 1.856 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -6.025 3.385 5.699 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.863 4.085 3.626 1.00 0.00 H new ATOM 255 N GLY A 17 -5.540 -1.527 7.194 1.00 0.00 N ATOM 256 CA GLY A 17 -5.240 -1.015 8.529 1.00 0.00 C ATOM 257 C GLY A 17 -3.884 -1.516 8.999 1.00 0.00 C ATOM 258 O GLY A 17 -3.061 -0.743 9.489 1.00 0.00 O ATOM 0 H GLY A 17 -6.406 -2.062 7.126 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.247 0.075 8.517 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.014 -1.331 9.229 1.00 0.00 H new ATOM 262 N LEU A 18 -3.639 -2.809 8.821 1.00 0.00 N ATOM 263 CA LEU A 18 -2.364 -3.389 9.202 1.00 0.00 C ATOM 264 C LEU A 18 -1.239 -2.764 8.377 1.00 0.00 C ATOM 265 O LEU A 18 -0.138 -2.546 8.880 1.00 0.00 O ATOM 266 CB LEU A 18 -2.415 -4.924 9.004 1.00 0.00 C ATOM 267 CG LEU A 18 -2.814 -5.638 10.309 1.00 0.00 C ATOM 268 CD1 LEU A 18 -4.211 -5.202 10.766 1.00 0.00 C ATOM 269 CD2 LEU A 18 -2.802 -7.157 10.077 1.00 0.00 C ATOM 0 H LEU A 18 -4.304 -3.469 8.418 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.166 -3.182 10.254 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.130 -5.169 8.218 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.441 -5.284 8.672 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.098 -5.371 11.087 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.470 -5.720 11.689 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.218 -4.126 10.939 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.940 -5.450 9.994 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.084 -7.668 10.998 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.512 -7.410 9.290 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.802 -7.472 9.779 1.00 0.00 H new ATOM 281 N PHE A 19 -1.521 -2.487 7.110 1.00 0.00 N ATOM 282 CA PHE A 19 -0.521 -1.893 6.231 1.00 0.00 C ATOM 283 C PHE A 19 -0.251 -0.456 6.627 1.00 0.00 C ATOM 284 O PHE A 19 0.891 0.003 6.627 1.00 0.00 O ATOM 285 CB PHE A 19 -1.001 -1.967 4.784 1.00 0.00 C ATOM 286 CG PHE A 19 -0.973 -3.409 4.273 1.00 0.00 C ATOM 287 CD1 PHE A 19 -0.849 -4.517 5.156 1.00 0.00 C ATOM 288 CD2 PHE A 19 -1.059 -3.643 2.894 1.00 0.00 C ATOM 289 CE1 PHE A 19 -0.808 -5.817 4.657 1.00 0.00 C ATOM 290 CE2 PHE A 19 -1.020 -4.962 2.400 1.00 0.00 C ATOM 291 CZ PHE A 19 -0.892 -6.045 3.288 1.00 0.00 C ATOM 0 H PHE A 19 -2.425 -2.662 6.671 1.00 0.00 H new ATOM 0 HA PHE A 19 0.410 -2.451 6.326 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.014 -1.571 4.712 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -0.368 -1.341 4.154 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.786 -4.349 6.221 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.155 -2.813 2.210 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.711 -6.651 5.336 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.089 -5.142 1.337 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.859 -7.055 2.906 1.00 0.00 H new ATOM 301 N ASP A 20 -1.309 0.242 6.976 1.00 0.00 N ATOM 302 CA ASP A 20 -1.193 1.621 7.390 1.00 0.00 C ATOM 303 C ASP A 20 -0.690 1.699 8.830 1.00 0.00 C ATOM 304 O ASP A 20 -1.293 2.344 9.681 1.00 0.00 O ATOM 305 CB ASP A 20 -2.556 2.282 7.255 1.00 0.00 C ATOM 306 CG ASP A 20 -2.526 3.688 7.840 1.00 0.00 C ATOM 307 OD1 ASP A 20 -1.438 4.177 8.098 1.00 0.00 O ATOM 308 OD2 ASP A 20 -3.589 4.256 8.023 1.00 0.00 O ATOM 0 H ASP A 20 -2.261 -0.124 6.981 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.473 2.143 6.759 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.844 2.325 6.205 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.309 1.684 7.768 1.00 0.00 H new ATOM 313 N LYS A 21 0.404 0.991 9.099 1.00 0.00 N ATOM 314 CA LYS A 21 0.979 0.943 10.442 1.00 0.00 C ATOM 315 C LYS A 21 0.866 2.292 11.154 1.00 0.00 C ATOM 316 O LYS A 21 0.753 2.338 12.378 1.00 0.00 O ATOM 317 CB LYS A 21 2.463 0.544 10.371 1.00 0.00 C ATOM 318 CG LYS A 21 2.625 -0.853 9.757 1.00 0.00 C ATOM 319 CD LYS A 21 2.355 -1.935 10.813 1.00 0.00 C ATOM 320 CE LYS A 21 2.584 -3.311 10.195 1.00 0.00 C ATOM 321 NZ LYS A 21 4.041 -3.518 9.959 1.00 0.00 N ATOM 0 H LYS A 21 0.911 0.442 8.405 1.00 0.00 H new ATOM 0 HA LYS A 21 0.416 0.201 11.008 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.012 1.273 9.775 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.896 0.559 11.371 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.936 -0.972 8.921 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.633 -0.968 9.359 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.013 -1.795 11.671 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.332 -1.854 11.180 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.199 -4.087 10.857 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.038 -3.394 9.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 4.229 -4.531 9.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.334 -2.988 9.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.578 -3.179 10.783 1.00 0.00 H new ATOM 335 N ASP A 22 0.907 3.388 10.400 1.00 0.00 N ATOM 336 CA ASP A 22 0.818 4.716 11.003 1.00 0.00 C ATOM 337 C ASP A 22 -0.612 5.041 11.437 1.00 0.00 C ATOM 338 O ASP A 22 -0.822 5.809 12.374 1.00 0.00 O ATOM 339 CB ASP A 22 1.286 5.760 9.994 1.00 0.00 C ATOM 340 CG ASP A 22 2.619 5.332 9.390 1.00 0.00 C ATOM 341 OD1 ASP A 22 3.546 5.106 10.151 1.00 0.00 O ATOM 342 OD2 ASP A 22 2.692 5.234 8.177 1.00 0.00 O ATOM 0 H ASP A 22 1.000 3.385 9.384 1.00 0.00 H new ATOM 0 HA ASP A 22 1.454 4.729 11.888 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.541 5.879 9.207 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.392 6.729 10.482 1.00 0.00 H new ATOM 347 N GLY A 23 -1.592 4.455 10.756 1.00 0.00 N ATOM 348 CA GLY A 23 -2.993 4.692 11.089 1.00 0.00 C ATOM 349 C GLY A 23 -3.489 6.029 10.537 1.00 0.00 C ATOM 350 O GLY A 23 -4.597 6.461 10.853 1.00 0.00 O ATOM 0 H GLY A 23 -1.444 3.816 9.975 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.604 3.884 10.687 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.117 4.677 12.172 1.00 0.00 H new ATOM 354 N ASP A 24 -2.663 6.689 9.731 1.00 0.00 N ATOM 355 CA ASP A 24 -3.044 7.984 9.170 1.00 0.00 C ATOM 356 C ASP A 24 -4.182 7.829 8.167 1.00 0.00 C ATOM 357 O ASP A 24 -4.750 8.816 7.703 1.00 0.00 O ATOM 358 CB ASP A 24 -1.846 8.639 8.483 1.00 0.00 C ATOM 359 CG ASP A 24 -1.234 7.685 7.460 1.00 0.00 C ATOM 360 OD1 ASP A 24 -1.558 6.510 7.504 1.00 0.00 O ATOM 361 OD2 ASP A 24 -0.446 8.146 6.650 1.00 0.00 O ATOM 0 H ASP A 24 -1.739 6.357 9.454 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.382 8.618 9.990 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.159 9.559 7.990 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.098 8.914 9.226 1.00 0.00 H new ATOM 366 N GLY A 25 -4.516 6.585 7.844 1.00 0.00 N ATOM 367 CA GLY A 25 -5.597 6.313 6.901 1.00 0.00 C ATOM 368 C GLY A 25 -5.078 6.273 5.471 1.00 0.00 C ATOM 369 O GLY A 25 -5.821 5.951 4.544 1.00 0.00 O ATOM 0 H GLY A 25 -4.058 5.753 8.217 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.068 5.361 7.147 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.365 7.081 6.991 1.00 0.00 H new ATOM 373 N CYS A 26 -3.800 6.622 5.291 1.00 0.00 N ATOM 374 CA CYS A 26 -3.188 6.634 3.958 1.00 0.00 C ATOM 375 C CYS A 26 -1.860 5.884 3.965 1.00 0.00 C ATOM 376 O CYS A 26 -1.008 6.114 4.828 1.00 0.00 O ATOM 377 CB CYS A 26 -2.948 8.080 3.510 1.00 0.00 C ATOM 378 SG CYS A 26 -4.438 9.063 3.811 1.00 0.00 S ATOM 0 H CYS A 26 -3.172 6.898 6.046 1.00 0.00 H new ATOM 0 HA CYS A 26 -3.869 6.139 3.265 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -2.104 8.505 4.053 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -2.691 8.106 2.451 1.00 0.00 H new ATOM 0 HG CYS A 26 -4.232 10.290 3.433 1.00 0.00 H new ATOM 384 N ILE A 27 -1.678 4.992 2.988 1.00 0.00 N ATOM 385 CA ILE A 27 -0.436 4.222 2.878 1.00 0.00 C ATOM 386 C ILE A 27 0.475 4.868 1.840 1.00 0.00 C ATOM 387 O ILE A 27 0.145 4.896 0.654 1.00 0.00 O ATOM 388 CB ILE A 27 -0.727 2.778 2.437 1.00 0.00 C ATOM 389 CG1 ILE A 27 -1.638 2.076 3.443 1.00 0.00 C ATOM 390 CG2 ILE A 27 0.589 2.002 2.348 1.00 0.00 C ATOM 391 CD1 ILE A 27 -2.120 0.754 2.841 1.00 0.00 C ATOM 0 H ILE A 27 -2.369 4.786 2.267 1.00 0.00 H new ATOM 0 HA ILE A 27 0.045 4.211 3.856 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.223 2.808 1.467 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.101 1.892 4.373 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.490 2.711 3.687 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.387 0.977 2.036 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.245 2.480 1.621 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.074 1.995 3.324 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.771 0.246 3.553 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.672 0.952 1.922 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.261 0.121 2.619 1.00 0.00 H new ATOM 403 N THR A 28 1.625 5.379 2.276 1.00 0.00 N ATOM 404 CA THR A 28 2.561 6.004 1.346 1.00 0.00 C ATOM 405 C THR A 28 3.408 4.928 0.679 1.00 0.00 C ATOM 406 O THR A 28 3.454 3.790 1.147 1.00 0.00 O ATOM 407 CB THR A 28 3.470 6.993 2.082 1.00 0.00 C ATOM 408 OG1 THR A 28 4.029 6.365 3.225 1.00 0.00 O ATOM 409 CG2 THR A 28 2.659 8.217 2.516 1.00 0.00 C ATOM 0 H THR A 28 1.927 5.373 3.250 1.00 0.00 H new ATOM 0 HA THR A 28 1.995 6.548 0.590 1.00 0.00 H new ATOM 0 HB THR A 28 4.271 7.310 1.414 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.612 6.998 3.694 1.00 0.00 H new ATOM 0 HG21 THR A 28 3.310 8.918 3.039 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.235 8.703 1.637 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.854 7.903 3.181 1.00 0.00 H new ATOM 417 N VAL A 29 4.066 5.279 -0.420 1.00 0.00 N ATOM 418 CA VAL A 29 4.882 4.305 -1.131 1.00 0.00 C ATOM 419 C VAL A 29 5.958 3.733 -0.209 1.00 0.00 C ATOM 420 O VAL A 29 6.260 2.539 -0.255 1.00 0.00 O ATOM 421 CB VAL A 29 5.529 4.950 -2.371 1.00 0.00 C ATOM 422 CG1 VAL A 29 4.530 5.909 -3.047 1.00 0.00 C ATOM 423 CG2 VAL A 29 6.795 5.730 -1.968 1.00 0.00 C ATOM 0 H VAL A 29 4.052 6.212 -0.831 1.00 0.00 H new ATOM 0 HA VAL A 29 4.237 3.489 -1.459 1.00 0.00 H new ATOM 0 HB VAL A 29 5.803 4.160 -3.070 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.995 6.361 -3.923 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.643 5.354 -3.353 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.244 6.691 -2.344 1.00 0.00 H new ATOM 0 HG21 VAL A 29 7.242 6.181 -2.854 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.529 6.513 -1.257 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.510 5.049 -1.507 1.00 0.00 H new ATOM 433 N GLU A 30 6.529 4.591 0.627 1.00 0.00 N ATOM 434 CA GLU A 30 7.561 4.157 1.548 1.00 0.00 C ATOM 435 C GLU A 30 7.010 3.125 2.525 1.00 0.00 C ATOM 436 O GLU A 30 7.664 2.124 2.837 1.00 0.00 O ATOM 437 CB GLU A 30 8.098 5.356 2.318 1.00 0.00 C ATOM 438 CG GLU A 30 8.902 6.254 1.379 1.00 0.00 C ATOM 439 CD GLU A 30 10.160 5.536 0.895 1.00 0.00 C ATOM 440 OE1 GLU A 30 10.569 4.591 1.549 1.00 0.00 O ATOM 441 OE2 GLU A 30 10.692 5.940 -0.126 1.00 0.00 O ATOM 0 H GLU A 30 6.295 5.582 0.683 1.00 0.00 H new ATOM 0 HA GLU A 30 8.368 3.699 0.976 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.273 5.918 2.756 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.727 5.019 3.142 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.288 6.539 0.525 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.177 7.174 1.894 1.00 0.00 H new ATOM 448 N GLU A 31 5.791 3.363 2.987 1.00 0.00 N ATOM 449 CA GLU A 31 5.150 2.445 3.910 1.00 0.00 C ATOM 450 C GLU A 31 4.756 1.163 3.183 1.00 0.00 C ATOM 451 O GLU A 31 4.850 0.070 3.738 1.00 0.00 O ATOM 452 CB GLU A 31 3.912 3.094 4.521 1.00 0.00 C ATOM 453 CG GLU A 31 3.409 2.243 5.691 1.00 0.00 C ATOM 454 CD GLU A 31 2.109 2.825 6.225 1.00 0.00 C ATOM 455 OE1 GLU A 31 1.208 3.016 5.432 1.00 0.00 O ATOM 456 OE2 GLU A 31 2.035 3.088 7.414 1.00 0.00 O ATOM 0 H GLU A 31 5.231 4.179 2.739 1.00 0.00 H new ATOM 0 HA GLU A 31 5.853 2.201 4.707 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.150 4.100 4.866 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.131 3.192 3.767 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.252 1.215 5.365 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.158 2.215 6.482 1.00 0.00 H new ATOM 463 N LEU A 32 4.328 1.296 1.933 1.00 0.00 N ATOM 464 CA LEU A 32 3.949 0.119 1.166 1.00 0.00 C ATOM 465 C LEU A 32 5.182 -0.770 1.036 1.00 0.00 C ATOM 466 O LEU A 32 5.113 -1.981 1.231 1.00 0.00 O ATOM 467 CB LEU A 32 3.423 0.535 -0.226 1.00 0.00 C ATOM 468 CG LEU A 32 2.472 -0.529 -0.818 1.00 0.00 C ATOM 469 CD1 LEU A 32 3.064 -1.930 -0.670 1.00 0.00 C ATOM 470 CD2 LEU A 32 1.104 -0.477 -0.123 1.00 0.00 C ATOM 0 H LEU A 32 4.236 2.184 1.440 1.00 0.00 H new ATOM 0 HA LEU A 32 3.150 -0.425 1.670 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.900 1.488 -0.148 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.264 0.688 -0.902 1.00 0.00 H new ATOM 0 HG LEU A 32 2.345 -0.308 -1.878 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.377 -2.662 -1.094 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.017 -1.980 -1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.221 -2.149 0.386 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.448 -1.234 -0.554 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.230 -0.670 0.942 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.662 0.509 -0.264 1.00 0.00 H new ATOM 482 N ALA A 33 6.313 -0.150 0.715 1.00 0.00 N ATOM 483 CA ALA A 33 7.552 -0.899 0.574 1.00 0.00 C ATOM 484 C ALA A 33 7.836 -1.670 1.853 1.00 0.00 C ATOM 485 O ALA A 33 8.245 -2.829 1.808 1.00 0.00 O ATOM 486 CB ALA A 33 8.714 0.048 0.270 1.00 0.00 C ATOM 0 H ALA A 33 6.396 0.853 0.550 1.00 0.00 H new ATOM 0 HA ALA A 33 7.446 -1.600 -0.254 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.634 -0.527 0.167 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.514 0.583 -0.659 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.822 0.764 1.085 1.00 0.00 H new ATOM 492 N THR A 34 7.580 -1.037 2.994 1.00 0.00 N ATOM 493 CA THR A 34 7.786 -1.705 4.273 1.00 0.00 C ATOM 494 C THR A 34 6.872 -2.938 4.370 1.00 0.00 C ATOM 495 O THR A 34 7.315 -4.008 4.795 1.00 0.00 O ATOM 496 CB THR A 34 7.521 -0.726 5.432 1.00 0.00 C ATOM 497 OG1 THR A 34 8.622 0.166 5.546 1.00 0.00 O ATOM 498 CG2 THR A 34 7.340 -1.484 6.755 1.00 0.00 C ATOM 0 H THR A 34 7.236 -0.079 3.059 1.00 0.00 H new ATOM 0 HA THR A 34 8.821 -2.038 4.344 1.00 0.00 H new ATOM 0 HB THR A 34 6.606 -0.172 5.223 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.460 0.794 6.281 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.154 -0.772 7.559 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.494 -2.166 6.671 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.244 -2.053 6.975 1.00 0.00 H new ATOM 506 N VAL A 35 5.608 -2.802 3.959 1.00 0.00 N ATOM 507 CA VAL A 35 4.696 -3.940 4.006 1.00 0.00 C ATOM 508 C VAL A 35 5.135 -5.010 3.005 1.00 0.00 C ATOM 509 O VAL A 35 5.254 -6.190 3.343 1.00 0.00 O ATOM 510 CB VAL A 35 3.252 -3.487 3.710 1.00 0.00 C ATOM 511 CG1 VAL A 35 2.353 -4.724 3.573 1.00 0.00 C ATOM 512 CG2 VAL A 35 2.747 -2.623 4.871 1.00 0.00 C ATOM 0 H VAL A 35 5.204 -1.937 3.599 1.00 0.00 H new ATOM 0 HA VAL A 35 4.724 -4.367 5.009 1.00 0.00 H new ATOM 0 HB VAL A 35 3.229 -2.911 2.785 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.331 -4.409 3.364 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.715 -5.348 2.756 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.374 -5.294 4.502 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.726 -2.300 4.667 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.766 -3.205 5.793 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.389 -1.749 4.980 1.00 0.00 H new ATOM 522 N ILE A 36 5.399 -4.594 1.773 1.00 0.00 N ATOM 523 CA ILE A 36 5.834 -5.533 0.753 1.00 0.00 C ATOM 524 C ILE A 36 7.176 -6.130 1.153 1.00 0.00 C ATOM 525 O ILE A 36 7.437 -7.311 0.921 1.00 0.00 O ATOM 526 CB ILE A 36 5.911 -4.851 -0.631 1.00 0.00 C ATOM 527 CG1 ILE A 36 4.497 -4.741 -1.249 1.00 0.00 C ATOM 528 CG2 ILE A 36 6.822 -5.651 -1.575 1.00 0.00 C ATOM 529 CD1 ILE A 36 4.103 -6.045 -1.966 1.00 0.00 C ATOM 0 H ILE A 36 5.320 -3.626 1.461 1.00 0.00 H new ATOM 0 HA ILE A 36 5.103 -6.338 0.673 1.00 0.00 H new ATOM 0 HB ILE A 36 6.327 -3.852 -0.499 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.771 -4.519 -0.467 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.469 -3.911 -1.955 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.865 -5.156 -2.545 1.00 0.00 H new ATOM 0 HG22 ILE A 36 7.825 -5.707 -1.152 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.423 -6.658 -1.698 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.105 -5.939 -2.391 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.817 -6.252 -2.763 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.108 -6.869 -1.252 1.00 0.00 H new ATOM 541 N ARG A 37 8.019 -5.312 1.758 1.00 0.00 N ATOM 542 CA ARG A 37 9.323 -5.772 2.193 1.00 0.00 C ATOM 543 C ARG A 37 9.178 -6.956 3.138 1.00 0.00 C ATOM 544 O ARG A 37 9.938 -7.920 3.060 1.00 0.00 O ATOM 545 CB ARG A 37 10.065 -4.631 2.899 1.00 0.00 C ATOM 546 CG ARG A 37 11.366 -5.150 3.514 1.00 0.00 C ATOM 547 CD ARG A 37 12.145 -3.982 4.107 1.00 0.00 C ATOM 548 NE ARG A 37 11.383 -3.357 5.173 1.00 0.00 N ATOM 549 CZ ARG A 37 11.838 -2.273 5.786 1.00 0.00 C ATOM 550 NH1 ARG A 37 12.992 -1.769 5.440 1.00 0.00 N ATOM 551 NH2 ARG A 37 11.142 -1.719 6.738 1.00 0.00 N ATOM 0 H ARG A 37 7.824 -4.331 1.958 1.00 0.00 H new ATOM 0 HA ARG A 37 9.894 -6.089 1.320 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.283 -3.834 2.188 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.433 -4.202 3.676 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.147 -5.886 4.288 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.965 -5.653 2.755 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.102 -4.333 4.493 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.364 -3.250 3.330 1.00 0.00 H new ATOM 0 HE ARG A 37 10.487 -3.756 5.454 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.540 -2.209 4.701 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.346 -0.935 5.909 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.245 -2.119 7.013 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.494 -0.885 7.208 1.00 0.00 H new ATOM 565 N SER A 38 8.189 -6.880 4.019 1.00 0.00 N ATOM 566 CA SER A 38 7.946 -7.960 4.967 1.00 0.00 C ATOM 567 C SER A 38 7.487 -9.222 4.240 1.00 0.00 C ATOM 568 O SER A 38 7.813 -10.338 4.649 1.00 0.00 O ATOM 569 CB SER A 38 6.884 -7.533 6.001 1.00 0.00 C ATOM 570 OG SER A 38 6.161 -6.426 5.491 1.00 0.00 O ATOM 0 H SER A 38 7.548 -6.091 4.097 1.00 0.00 H new ATOM 0 HA SER A 38 8.880 -8.177 5.485 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.207 -8.361 6.209 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.362 -7.268 6.944 1.00 0.00 H new ATOM 0 HG SER A 38 5.769 -6.662 4.624 1.00 0.00 H new ATOM 576 N LEU A 39 6.703 -9.047 3.182 1.00 0.00 N ATOM 577 CA LEU A 39 6.183 -10.189 2.447 1.00 0.00 C ATOM 578 C LEU A 39 7.266 -10.922 1.656 1.00 0.00 C ATOM 579 O LEU A 39 6.968 -11.558 0.648 1.00 0.00 O ATOM 580 CB LEU A 39 5.100 -9.729 1.491 1.00 0.00 C ATOM 581 CG LEU A 39 3.955 -9.049 2.262 1.00 0.00 C ATOM 582 CD1 LEU A 39 2.927 -8.485 1.266 1.00 0.00 C ATOM 583 CD2 LEU A 39 3.257 -10.064 3.191 1.00 0.00 C ATOM 0 H LEU A 39 6.418 -8.137 2.819 1.00 0.00 H new ATOM 0 HA LEU A 39 5.781 -10.886 3.182 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.520 -9.034 0.764 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.714 -10.581 0.932 1.00 0.00 H new ATOM 0 HG LEU A 39 4.370 -8.241 2.864 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.116 -8.004 1.813 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.411 -7.755 0.618 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.524 -9.297 0.660 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.449 -9.569 3.730 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.849 -10.881 2.596 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.979 -10.461 3.905 1.00 0.00 H new ATOM 595 N ASP A 40 8.509 -10.827 2.113 1.00 0.00 N ATOM 596 CA ASP A 40 9.637 -11.500 1.449 1.00 0.00 C ATOM 597 C ASP A 40 9.832 -11.032 0.009 1.00 0.00 C ATOM 598 O ASP A 40 10.482 -11.712 -0.783 1.00 0.00 O ATOM 599 CB ASP A 40 9.421 -13.030 1.469 1.00 0.00 C ATOM 600 CG ASP A 40 8.575 -13.522 0.279 1.00 0.00 C ATOM 601 OD1 ASP A 40 9.099 -13.580 -0.823 1.00 0.00 O ATOM 602 OD2 ASP A 40 7.418 -13.848 0.497 1.00 0.00 O ATOM 0 H ASP A 40 8.769 -10.292 2.941 1.00 0.00 H new ATOM 0 HA ASP A 40 10.538 -11.238 2.004 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.389 -13.531 1.454 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.931 -13.312 2.401 1.00 0.00 H new ATOM 607 N GLN A 41 9.296 -9.869 -0.329 1.00 0.00 N ATOM 608 CA GLN A 41 9.444 -9.343 -1.684 1.00 0.00 C ATOM 609 C GLN A 41 9.721 -7.849 -1.631 1.00 0.00 C ATOM 610 O GLN A 41 9.294 -7.166 -0.702 1.00 0.00 O ATOM 611 CB GLN A 41 8.159 -9.607 -2.474 1.00 0.00 C ATOM 612 CG GLN A 41 8.422 -9.399 -3.966 1.00 0.00 C ATOM 613 CD GLN A 41 7.147 -9.653 -4.766 1.00 0.00 C ATOM 614 OE1 GLN A 41 6.228 -10.310 -4.279 1.00 0.00 O ATOM 615 NE2 GLN A 41 7.036 -9.164 -5.972 1.00 0.00 N ATOM 0 H GLN A 41 8.761 -9.275 0.305 1.00 0.00 H new ATOM 0 HA GLN A 41 10.280 -9.840 -2.176 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.812 -10.625 -2.294 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.369 -8.936 -2.137 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.774 -8.383 -4.142 1.00 0.00 H new ATOM 0 HG3 GLN A 41 9.211 -10.073 -4.301 1.00 0.00 H new ATOM 0 HE21 GLN A 41 7.799 -8.620 -6.374 1.00 0.00 H new ATOM 0 HE22 GLN A 41 6.186 -9.327 -6.512 1.00 0.00 H new ATOM 624 N ASN A 42 10.445 -7.344 -2.625 1.00 0.00 N ATOM 625 CA ASN A 42 10.775 -5.923 -2.668 1.00 0.00 C ATOM 626 C ASN A 42 11.036 -5.456 -4.103 1.00 0.00 C ATOM 627 O ASN A 42 12.187 -5.378 -4.535 1.00 0.00 O ATOM 628 CB ASN A 42 12.010 -5.655 -1.810 1.00 0.00 C ATOM 629 CG ASN A 42 12.230 -4.152 -1.682 1.00 0.00 C ATOM 630 OD1 ASN A 42 11.282 -3.374 -1.790 1.00 0.00 O ATOM 631 ND2 ASN A 42 13.430 -3.694 -1.456 1.00 0.00 N ATOM 0 H ASN A 42 10.811 -7.891 -3.404 1.00 0.00 H new ATOM 0 HA ASN A 42 9.924 -5.365 -2.277 1.00 0.00 H new ATOM 0 HB2 ASN A 42 11.882 -6.099 -0.823 1.00 0.00 H new ATOM 0 HB3 ASN A 42 12.886 -6.124 -2.259 1.00 0.00 H new ATOM 0 HD21 ASN A 42 13.584 -2.690 -1.368 1.00 0.00 H new ATOM 0 HD22 ASN A 42 14.214 -4.340 -1.367 1.00 0.00 H new ATOM 638 N PRO A 43 10.002 -5.128 -4.839 1.00 0.00 N ATOM 639 CA PRO A 43 10.137 -4.637 -6.247 1.00 0.00 C ATOM 640 C PRO A 43 10.974 -3.365 -6.302 1.00 0.00 C ATOM 641 O PRO A 43 11.284 -2.777 -5.266 1.00 0.00 O ATOM 642 CB PRO A 43 8.686 -4.372 -6.694 1.00 0.00 C ATOM 643 CG PRO A 43 7.836 -5.168 -5.750 1.00 0.00 C ATOM 644 CD PRO A 43 8.595 -5.193 -4.424 1.00 0.00 C ATOM 0 HA PRO A 43 10.645 -5.352 -6.894 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.445 -3.310 -6.642 1.00 0.00 H new ATOM 0 HB3 PRO A 43 8.528 -4.685 -7.726 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.854 -4.712 -5.629 1.00 0.00 H new ATOM 0 HG3 PRO A 43 7.674 -6.178 -6.127 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.323 -4.350 -3.789 1.00 0.00 H new ATOM 0 HD3 PRO A 43 8.384 -6.100 -3.857 1.00 0.00 H new ATOM 652 N THR A 44 11.327 -2.930 -7.506 1.00 0.00 N ATOM 653 CA THR A 44 12.109 -1.717 -7.665 1.00 0.00 C ATOM 654 C THR A 44 11.177 -0.508 -7.665 1.00 0.00 C ATOM 655 O THR A 44 9.957 -0.653 -7.749 1.00 0.00 O ATOM 656 CB THR A 44 12.887 -1.781 -8.979 1.00 0.00 C ATOM 657 OG1 THR A 44 13.827 -2.845 -8.927 1.00 0.00 O ATOM 658 CG2 THR A 44 13.626 -0.468 -9.227 1.00 0.00 C ATOM 0 H THR A 44 11.084 -3.398 -8.379 1.00 0.00 H new ATOM 0 HA THR A 44 12.814 -1.623 -6.839 1.00 0.00 H new ATOM 0 HB THR A 44 12.181 -1.950 -9.792 1.00 0.00 H new ATOM 0 HG1 THR A 44 14.323 -2.885 -9.771 1.00 0.00 H new ATOM 0 HG21 THR A 44 14.175 -0.531 -10.167 1.00 0.00 H new ATOM 0 HG22 THR A 44 12.907 0.350 -9.281 1.00 0.00 H new ATOM 0 HG23 THR A 44 14.325 -0.284 -8.411 1.00 0.00 H new ATOM 666 N GLU A 45 11.755 0.677 -7.568 1.00 0.00 N ATOM 667 CA GLU A 45 10.960 1.902 -7.553 1.00 0.00 C ATOM 668 C GLU A 45 10.021 1.938 -8.758 1.00 0.00 C ATOM 669 O GLU A 45 8.842 2.255 -8.617 1.00 0.00 O ATOM 670 CB GLU A 45 11.871 3.132 -7.582 1.00 0.00 C ATOM 671 CG GLU A 45 12.680 3.215 -6.286 1.00 0.00 C ATOM 672 CD GLU A 45 13.635 4.406 -6.342 1.00 0.00 C ATOM 673 OE1 GLU A 45 14.176 4.657 -7.406 1.00 0.00 O ATOM 674 OE2 GLU A 45 13.813 5.046 -5.318 1.00 0.00 O ATOM 0 H GLU A 45 12.762 0.821 -7.499 1.00 0.00 H new ATOM 0 HA GLU A 45 10.371 1.915 -6.636 1.00 0.00 H new ATOM 0 HB2 GLU A 45 12.544 3.076 -8.438 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.273 4.035 -7.705 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.008 3.317 -5.434 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.243 2.293 -6.139 1.00 0.00 H new ATOM 681 N GLU A 46 10.540 1.612 -9.942 1.00 0.00 N ATOM 682 CA GLU A 46 9.729 1.621 -11.137 1.00 0.00 C ATOM 683 C GLU A 46 8.517 0.707 -10.979 1.00 0.00 C ATOM 684 O GLU A 46 7.402 1.081 -11.341 1.00 0.00 O ATOM 685 CB GLU A 46 10.593 1.160 -12.315 1.00 0.00 C ATOM 686 CG GLU A 46 10.801 -0.361 -12.266 1.00 0.00 C ATOM 687 CD GLU A 46 11.891 -0.783 -13.248 1.00 0.00 C ATOM 688 OE1 GLU A 46 12.327 0.055 -14.019 1.00 0.00 O ATOM 689 OE2 GLU A 46 12.274 -1.942 -13.212 1.00 0.00 O ATOM 0 H GLU A 46 11.513 1.342 -10.088 1.00 0.00 H new ATOM 0 HA GLU A 46 9.360 2.631 -11.317 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.115 1.438 -13.255 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.558 1.666 -12.286 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.076 -0.664 -11.256 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.868 -0.870 -12.508 1.00 0.00 H new ATOM 696 N GLU A 47 8.734 -0.491 -10.436 1.00 0.00 N ATOM 697 CA GLU A 47 7.635 -1.424 -10.249 1.00 0.00 C ATOM 698 C GLU A 47 6.639 -0.859 -9.248 1.00 0.00 C ATOM 699 O GLU A 47 5.429 -0.913 -9.462 1.00 0.00 O ATOM 700 CB GLU A 47 8.172 -2.772 -9.762 1.00 0.00 C ATOM 701 CG GLU A 47 8.957 -3.442 -10.892 1.00 0.00 C ATOM 702 CD GLU A 47 9.525 -4.774 -10.417 1.00 0.00 C ATOM 703 OE1 GLU A 47 8.740 -5.635 -10.056 1.00 0.00 O ATOM 704 OE2 GLU A 47 10.737 -4.913 -10.418 1.00 0.00 O ATOM 0 H GLU A 47 9.644 -0.829 -10.125 1.00 0.00 H new ATOM 0 HA GLU A 47 7.127 -1.573 -11.202 1.00 0.00 H new ATOM 0 HB2 GLU A 47 8.814 -2.628 -8.893 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.348 -3.412 -9.447 1.00 0.00 H new ATOM 0 HG2 GLU A 47 8.307 -3.601 -11.752 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.766 -2.789 -11.220 1.00 0.00 H new ATOM 711 N LEU A 48 7.157 -0.301 -8.159 1.00 0.00 N ATOM 712 CA LEU A 48 6.296 0.283 -7.143 1.00 0.00 C ATOM 713 C LEU A 48 5.489 1.428 -7.745 1.00 0.00 C ATOM 714 O LEU A 48 4.287 1.536 -7.516 1.00 0.00 O ATOM 715 CB LEU A 48 7.153 0.782 -5.948 1.00 0.00 C ATOM 716 CG LEU A 48 6.881 -0.063 -4.691 1.00 0.00 C ATOM 717 CD1 LEU A 48 7.446 -1.473 -4.877 1.00 0.00 C ATOM 718 CD2 LEU A 48 7.542 0.599 -3.482 1.00 0.00 C ATOM 0 H LEU A 48 8.156 -0.242 -7.960 1.00 0.00 H new ATOM 0 HA LEU A 48 5.602 -0.474 -6.777 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.211 0.729 -6.206 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.927 1.829 -5.744 1.00 0.00 H new ATOM 0 HG LEU A 48 5.805 -0.130 -4.529 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.249 -2.065 -3.983 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.970 -1.945 -5.737 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.522 -1.415 -5.044 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.351 0.002 -2.590 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.617 0.669 -3.648 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.130 1.599 -3.344 1.00 0.00 H new ATOM 730 N GLN A 49 6.149 2.277 -8.515 1.00 0.00 N ATOM 731 CA GLN A 49 5.461 3.400 -9.126 1.00 0.00 C ATOM 732 C GLN A 49 4.469 2.903 -10.177 1.00 0.00 C ATOM 733 O GLN A 49 3.314 3.331 -10.207 1.00 0.00 O ATOM 734 CB GLN A 49 6.500 4.361 -9.755 1.00 0.00 C ATOM 735 CG GLN A 49 6.239 5.801 -9.297 1.00 0.00 C ATOM 736 CD GLN A 49 6.529 5.920 -7.804 1.00 0.00 C ATOM 737 OE1 GLN A 49 7.414 5.238 -7.287 1.00 0.00 O ATOM 738 NE2 GLN A 49 5.832 6.749 -7.077 1.00 0.00 N ATOM 0 H GLN A 49 7.144 2.212 -8.729 1.00 0.00 H new ATOM 0 HA GLN A 49 4.900 3.941 -8.364 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.507 4.058 -9.468 1.00 0.00 H new ATOM 0 HB3 GLN A 49 6.448 4.303 -10.842 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.869 6.492 -9.857 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.204 6.077 -9.501 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.099 7.313 -7.508 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.020 6.833 -6.078 1.00 0.00 H new ATOM 747 N ASP A 50 4.928 2.006 -11.042 1.00 0.00 N ATOM 748 CA ASP A 50 4.074 1.475 -12.093 1.00 0.00 C ATOM 749 C ASP A 50 2.879 0.743 -11.493 1.00 0.00 C ATOM 750 O ASP A 50 1.756 0.870 -11.982 1.00 0.00 O ATOM 751 CB ASP A 50 4.870 0.520 -12.987 1.00 0.00 C ATOM 752 CG ASP A 50 5.836 1.309 -13.867 1.00 0.00 C ATOM 753 OD1 ASP A 50 5.755 2.526 -13.861 1.00 0.00 O ATOM 754 OD2 ASP A 50 6.639 0.682 -14.538 1.00 0.00 O ATOM 0 H ASP A 50 5.878 1.635 -11.036 1.00 0.00 H new ATOM 0 HA ASP A 50 3.710 2.308 -12.694 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.423 -0.190 -12.372 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.189 -0.060 -13.610 1.00 0.00 H new ATOM 759 N MET A 51 3.120 -0.007 -10.420 1.00 0.00 N ATOM 760 CA MET A 51 2.042 -0.729 -9.760 1.00 0.00 C ATOM 761 C MET A 51 1.110 0.257 -9.060 1.00 0.00 C ATOM 762 O MET A 51 -0.109 0.170 -9.195 1.00 0.00 O ATOM 763 CB MET A 51 2.607 -1.723 -8.746 1.00 0.00 C ATOM 764 CG MET A 51 1.508 -2.704 -8.319 1.00 0.00 C ATOM 765 SD MET A 51 1.075 -3.788 -9.708 1.00 0.00 S ATOM 766 CE MET A 51 2.657 -4.658 -9.840 1.00 0.00 C ATOM 0 H MET A 51 4.040 -0.128 -9.996 1.00 0.00 H new ATOM 0 HA MET A 51 1.480 -1.282 -10.512 1.00 0.00 H new ATOM 0 HB2 MET A 51 3.444 -2.267 -9.183 1.00 0.00 H new ATOM 0 HB3 MET A 51 2.992 -1.191 -7.876 1.00 0.00 H new ATOM 0 HG2 MET A 51 1.850 -3.301 -7.473 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.627 -2.155 -7.987 1.00 0.00 H new ATOM 0 HE1 MET A 51 2.485 -5.673 -10.198 1.00 0.00 H new ATOM 0 HE2 MET A 51 3.305 -4.131 -10.540 1.00 0.00 H new ATOM 0 HE3 MET A 51 3.135 -4.695 -8.861 1.00 0.00 H new ATOM 776 N ILE A 52 1.693 1.208 -8.330 1.00 0.00 N ATOM 777 CA ILE A 52 0.894 2.217 -7.641 1.00 0.00 C ATOM 778 C ILE A 52 0.171 3.092 -8.656 1.00 0.00 C ATOM 779 O ILE A 52 -1.014 3.387 -8.504 1.00 0.00 O ATOM 780 CB ILE A 52 1.785 3.076 -6.735 1.00 0.00 C ATOM 781 CG1 ILE A 52 2.267 2.232 -5.554 1.00 0.00 C ATOM 782 CG2 ILE A 52 0.994 4.277 -6.203 1.00 0.00 C ATOM 783 CD1 ILE A 52 3.398 2.964 -4.833 1.00 0.00 C ATOM 0 H ILE A 52 2.701 1.300 -8.202 1.00 0.00 H new ATOM 0 HA ILE A 52 0.153 1.714 -7.020 1.00 0.00 H new ATOM 0 HB ILE A 52 2.638 3.434 -7.312 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.443 2.046 -4.866 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.614 1.260 -5.905 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.636 4.880 -5.561 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.646 4.883 -7.040 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.137 3.923 -5.630 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.742 2.363 -3.991 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.225 3.127 -5.524 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.035 3.925 -4.468 1.00 0.00 H new ATOM 795 N SER A 53 0.890 3.503 -9.695 1.00 0.00 N ATOM 796 CA SER A 53 0.296 4.339 -10.728 1.00 0.00 C ATOM 797 C SER A 53 -0.845 3.594 -11.406 1.00 0.00 C ATOM 798 O SER A 53 -1.854 4.191 -11.785 1.00 0.00 O ATOM 799 CB SER A 53 1.350 4.730 -11.761 1.00 0.00 C ATOM 800 OG SER A 53 1.773 3.570 -12.461 1.00 0.00 O ATOM 0 H SER A 53 1.873 3.274 -9.842 1.00 0.00 H new ATOM 0 HA SER A 53 -0.095 5.245 -10.265 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.939 5.460 -12.458 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.200 5.202 -11.269 1.00 0.00 H new ATOM 0 HG SER A 53 1.595 2.776 -11.915 1.00 0.00 H new ATOM 806 N GLU A 54 -0.675 2.286 -11.565 1.00 0.00 N ATOM 807 CA GLU A 54 -1.690 1.463 -12.212 1.00 0.00 C ATOM 808 C GLU A 54 -3.033 1.595 -11.495 1.00 0.00 C ATOM 809 O GLU A 54 -4.088 1.498 -12.122 1.00 0.00 O ATOM 810 CB GLU A 54 -1.249 -0.006 -12.222 1.00 0.00 C ATOM 811 CG GLU A 54 -2.258 -0.837 -13.019 1.00 0.00 C ATOM 812 CD GLU A 54 -1.800 -2.291 -13.093 1.00 0.00 C ATOM 813 OE1 GLU A 54 -1.992 -3.002 -12.120 1.00 0.00 O ATOM 814 OE2 GLU A 54 -1.265 -2.671 -14.121 1.00 0.00 O ATOM 0 H GLU A 54 0.152 1.775 -11.256 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.809 1.811 -13.238 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.257 -0.096 -12.665 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.177 -0.382 -11.201 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.239 -0.781 -12.548 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.363 -0.429 -14.024 1.00 0.00 H new ATOM 821 N VAL A 55 -2.993 1.807 -10.171 1.00 0.00 N ATOM 822 CA VAL A 55 -4.226 1.939 -9.376 1.00 0.00 C ATOM 823 C VAL A 55 -4.441 3.363 -8.892 1.00 0.00 C ATOM 824 O VAL A 55 -5.578 3.778 -8.665 1.00 0.00 O ATOM 825 CB VAL A 55 -4.188 0.990 -8.172 1.00 0.00 C ATOM 826 CG1 VAL A 55 -5.464 1.179 -7.342 1.00 0.00 C ATOM 827 CG2 VAL A 55 -4.093 -0.456 -8.676 1.00 0.00 C ATOM 0 H VAL A 55 -2.131 1.890 -9.632 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.059 1.675 -10.028 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.322 1.209 -7.548 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.443 0.507 -6.484 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.522 2.210 -6.994 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.335 0.955 -7.958 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.066 -1.137 -7.825 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.961 -0.683 -9.295 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.185 -0.577 -9.267 1.00 0.00 H new ATOM 837 N ASP A 56 -3.370 4.116 -8.735 1.00 0.00 N ATOM 838 CA ASP A 56 -3.512 5.486 -8.283 1.00 0.00 C ATOM 839 C ASP A 56 -4.076 6.320 -9.425 1.00 0.00 C ATOM 840 O ASP A 56 -3.334 6.929 -10.195 1.00 0.00 O ATOM 841 CB ASP A 56 -2.158 6.029 -7.842 1.00 0.00 C ATOM 842 CG ASP A 56 -2.341 7.351 -7.094 1.00 0.00 C ATOM 843 OD1 ASP A 56 -3.458 7.842 -7.059 1.00 0.00 O ATOM 844 OD2 ASP A 56 -1.364 7.847 -6.560 1.00 0.00 O ATOM 0 H ASP A 56 -2.412 3.812 -8.909 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.191 5.531 -7.431 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.659 5.304 -7.199 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.517 6.179 -8.711 1.00 0.00 H new ATOM 849 N ALA A 57 -5.403 6.321 -9.527 1.00 0.00 N ATOM 850 CA ALA A 57 -6.086 7.055 -10.584 1.00 0.00 C ATOM 851 C ALA A 57 -5.794 8.544 -10.480 1.00 0.00 C ATOM 852 O ALA A 57 -5.923 9.277 -11.461 1.00 0.00 O ATOM 853 CB ALA A 57 -7.597 6.829 -10.488 1.00 0.00 C ATOM 0 H ALA A 57 -6.024 5.822 -8.890 1.00 0.00 H new ATOM 0 HA ALA A 57 -5.721 6.688 -11.543 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.099 7.382 -11.282 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.813 5.766 -10.593 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -7.956 7.178 -9.520 1.00 0.00 H new ATOM 859 N ASP A 58 -5.419 8.989 -9.281 1.00 0.00 N ATOM 860 CA ASP A 58 -5.131 10.405 -9.037 1.00 0.00 C ATOM 861 C ASP A 58 -3.619 10.670 -9.022 1.00 0.00 C ATOM 862 O ASP A 58 -3.183 11.795 -9.262 1.00 0.00 O ATOM 863 CB ASP A 58 -5.772 10.827 -7.686 1.00 0.00 C ATOM 864 CG ASP A 58 -6.210 9.589 -6.901 1.00 0.00 C ATOM 865 OD1 ASP A 58 -5.369 8.992 -6.255 1.00 0.00 O ATOM 866 OD2 ASP A 58 -7.380 9.250 -6.975 1.00 0.00 O ATOM 0 H ASP A 58 -5.307 8.391 -8.463 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.558 10.998 -9.846 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.057 11.404 -7.100 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.630 11.474 -7.868 1.00 0.00 H new ATOM 871 N GLY A 59 -2.823 9.641 -8.744 1.00 0.00 N ATOM 872 CA GLY A 59 -1.372 9.815 -8.710 1.00 0.00 C ATOM 873 C GLY A 59 -0.947 10.678 -7.517 1.00 0.00 C ATOM 874 O GLY A 59 -0.045 11.506 -7.637 1.00 0.00 O ATOM 0 H GLY A 59 -3.148 8.696 -8.543 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.887 8.841 -8.649 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.037 10.280 -9.637 1.00 0.00 H new ATOM 878 N ASN A 60 -1.603 10.489 -6.373 1.00 0.00 N ATOM 879 CA ASN A 60 -1.275 11.273 -5.180 1.00 0.00 C ATOM 880 C ASN A 60 0.055 10.832 -4.574 1.00 0.00 C ATOM 881 O ASN A 60 0.633 11.543 -3.751 1.00 0.00 O ATOM 882 CB ASN A 60 -2.375 11.132 -4.127 1.00 0.00 C ATOM 883 CG ASN A 60 -3.733 11.409 -4.749 1.00 0.00 C ATOM 884 OD1 ASN A 60 -4.622 10.561 -4.696 1.00 0.00 O ATOM 885 ND2 ASN A 60 -3.950 12.558 -5.335 1.00 0.00 N ATOM 0 H ASN A 60 -2.354 9.811 -6.246 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.193 12.315 -5.488 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.358 10.127 -3.705 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.194 11.826 -3.306 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.860 12.754 -5.751 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.209 13.258 -5.376 1.00 0.00 H new ATOM 892 N GLY A 61 0.531 9.650 -4.961 1.00 0.00 N ATOM 893 CA GLY A 61 1.788 9.126 -4.423 1.00 0.00 C ATOM 894 C GLY A 61 1.519 8.215 -3.230 1.00 0.00 C ATOM 895 O GLY A 61 2.441 7.689 -2.613 1.00 0.00 O ATOM 0 H GLY A 61 0.072 9.041 -5.638 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.320 8.573 -5.198 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.433 9.951 -4.120 1.00 0.00 H new ATOM 899 N THR A 62 0.240 8.031 -2.915 1.00 0.00 N ATOM 900 CA THR A 62 -0.172 7.179 -1.799 1.00 0.00 C ATOM 901 C THR A 62 -1.363 6.322 -2.210 1.00 0.00 C ATOM 902 O THR A 62 -1.995 6.577 -3.236 1.00 0.00 O ATOM 903 CB THR A 62 -0.556 8.041 -0.594 1.00 0.00 C ATOM 904 OG1 THR A 62 -1.787 8.700 -0.863 1.00 0.00 O ATOM 905 CG2 THR A 62 0.533 9.082 -0.335 1.00 0.00 C ATOM 0 H THR A 62 -0.535 8.463 -3.419 1.00 0.00 H new ATOM 0 HA THR A 62 0.662 6.532 -1.527 1.00 0.00 H new ATOM 0 HB THR A 62 -0.662 7.407 0.286 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.038 9.252 -0.093 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.255 9.693 0.524 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.477 8.578 -0.131 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.644 9.719 -1.213 1.00 0.00 H new ATOM 913 N ILE A 63 -1.676 5.311 -1.397 1.00 0.00 N ATOM 914 CA ILE A 63 -2.810 4.422 -1.675 1.00 0.00 C ATOM 915 C ILE A 63 -3.876 4.595 -0.595 1.00 0.00 C ATOM 916 O ILE A 63 -3.587 4.477 0.596 1.00 0.00 O ATOM 917 CB ILE A 63 -2.346 2.957 -1.705 1.00 0.00 C ATOM 918 CG1 ILE A 63 -0.997 2.854 -2.423 1.00 0.00 C ATOM 919 CG2 ILE A 63 -3.371 2.102 -2.457 1.00 0.00 C ATOM 920 CD1 ILE A 63 -0.555 1.388 -2.485 1.00 0.00 C ATOM 0 H ILE A 63 -1.164 5.087 -0.544 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.228 4.682 -2.648 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.248 2.600 -0.680 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.078 3.262 -3.430 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.249 3.448 -1.898 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.036 1.065 -2.475 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -4.336 2.164 -1.953 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.471 2.469 -3.479 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.405 1.319 -2.996 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.456 0.995 -1.473 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.299 0.806 -3.029 1.00 0.00 H new ATOM 932 N GLU A 64 -5.109 4.878 -1.016 1.00 0.00 N ATOM 933 CA GLU A 64 -6.215 5.065 -0.071 1.00 0.00 C ATOM 934 C GLU A 64 -7.058 3.796 0.016 1.00 0.00 C ATOM 935 O GLU A 64 -6.772 2.805 -0.656 1.00 0.00 O ATOM 936 CB GLU A 64 -7.086 6.241 -0.515 1.00 0.00 C ATOM 937 CG GLU A 64 -6.291 7.541 -0.370 1.00 0.00 C ATOM 938 CD GLU A 64 -7.121 8.718 -0.872 1.00 0.00 C ATOM 939 OE1 GLU A 64 -8.251 8.495 -1.269 1.00 0.00 O ATOM 940 OE2 GLU A 64 -6.612 9.828 -0.848 1.00 0.00 O ATOM 0 H GLU A 64 -5.368 4.983 -1.997 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.802 5.279 0.915 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.399 6.106 -1.550 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.992 6.286 0.089 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.019 7.696 0.674 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.361 7.474 -0.935 1.00 0.00 H new ATOM 947 N PHE A 65 -8.083 3.822 0.863 1.00 0.00 N ATOM 948 CA PHE A 65 -8.933 2.648 1.036 1.00 0.00 C ATOM 949 C PHE A 65 -9.532 2.211 -0.301 1.00 0.00 C ATOM 950 O PHE A 65 -9.425 1.043 -0.676 1.00 0.00 O ATOM 951 CB PHE A 65 -10.063 2.951 2.031 1.00 0.00 C ATOM 952 CG PHE A 65 -11.068 1.815 2.042 1.00 0.00 C ATOM 953 CD1 PHE A 65 -10.796 0.636 2.751 1.00 0.00 C ATOM 954 CD2 PHE A 65 -12.273 1.942 1.337 1.00 0.00 C ATOM 955 CE1 PHE A 65 -11.729 -0.413 2.751 1.00 0.00 C ATOM 956 CE2 PHE A 65 -13.201 0.895 1.338 1.00 0.00 C ATOM 957 CZ PHE A 65 -12.931 -0.280 2.047 1.00 0.00 C ATOM 0 H PHE A 65 -8.343 4.628 1.431 1.00 0.00 H new ATOM 0 HA PHE A 65 -8.316 1.838 1.426 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -9.650 3.091 3.030 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -10.559 3.882 1.757 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.869 0.535 3.297 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -12.485 2.850 0.792 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -11.519 -1.323 3.294 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -14.127 0.994 0.791 1.00 0.00 H new ATOM 0 HZ PHE A 65 -13.651 -1.085 2.051 1.00 0.00 H new ATOM 967 N ASP A 66 -10.170 3.136 -1.012 1.00 0.00 N ATOM 968 CA ASP A 66 -10.785 2.797 -2.291 1.00 0.00 C ATOM 969 C ASP A 66 -9.722 2.290 -3.260 1.00 0.00 C ATOM 970 O ASP A 66 -9.928 1.301 -3.961 1.00 0.00 O ATOM 971 CB ASP A 66 -11.475 4.036 -2.879 1.00 0.00 C ATOM 972 CG ASP A 66 -12.841 4.254 -2.228 1.00 0.00 C ATOM 973 OD1 ASP A 66 -13.253 3.409 -1.452 1.00 0.00 O ATOM 974 OD2 ASP A 66 -13.456 5.268 -2.520 1.00 0.00 O ATOM 0 H ASP A 66 -10.274 4.111 -0.730 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.526 2.014 -2.134 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.849 4.915 -2.725 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.595 3.915 -3.956 1.00 0.00 H new ATOM 979 N GLU A 67 -8.583 2.968 -3.286 1.00 0.00 N ATOM 980 CA GLU A 67 -7.499 2.563 -4.165 1.00 0.00 C ATOM 981 C GLU A 67 -6.962 1.203 -3.736 1.00 0.00 C ATOM 982 O GLU A 67 -6.736 0.321 -4.565 1.00 0.00 O ATOM 983 CB GLU A 67 -6.377 3.604 -4.122 1.00 0.00 C ATOM 984 CG GLU A 67 -6.868 4.901 -4.769 1.00 0.00 C ATOM 985 CD GLU A 67 -5.803 5.985 -4.646 1.00 0.00 C ATOM 986 OE1 GLU A 67 -4.723 5.677 -4.167 1.00 0.00 O ATOM 987 OE2 GLU A 67 -6.082 7.105 -5.037 1.00 0.00 O ATOM 0 H GLU A 67 -8.388 3.791 -2.716 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.877 2.489 -5.185 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.076 3.789 -3.091 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.498 3.231 -4.648 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.101 4.727 -5.820 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.790 5.230 -4.289 1.00 0.00 H new ATOM 994 N PHE A 68 -6.772 1.037 -2.430 1.00 0.00 N ATOM 995 CA PHE A 68 -6.272 -0.221 -1.892 1.00 0.00 C ATOM 996 C PHE A 68 -7.233 -1.356 -2.213 1.00 0.00 C ATOM 997 O PHE A 68 -6.812 -2.448 -2.598 1.00 0.00 O ATOM 998 CB PHE A 68 -6.096 -0.122 -0.377 1.00 0.00 C ATOM 999 CG PHE A 68 -5.609 -1.449 0.160 1.00 0.00 C ATOM 1000 CD1 PHE A 68 -4.264 -1.812 0.017 1.00 0.00 C ATOM 1001 CD2 PHE A 68 -6.502 -2.316 0.801 1.00 0.00 C ATOM 1002 CE1 PHE A 68 -3.813 -3.038 0.517 1.00 0.00 C ATOM 1003 CE2 PHE A 68 -6.051 -3.540 1.300 1.00 0.00 C ATOM 1004 CZ PHE A 68 -4.707 -3.904 1.157 1.00 0.00 C ATOM 0 H PHE A 68 -6.956 1.755 -1.729 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.306 -0.426 -2.354 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.383 0.665 -0.133 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -7.042 0.148 0.093 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.575 -1.145 -0.480 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -7.540 -2.038 0.910 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.775 -3.316 0.409 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.740 -4.207 1.797 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.360 -4.852 1.540 1.00 0.00 H new ATOM 1014 N LEU A 69 -8.525 -1.097 -2.053 1.00 0.00 N ATOM 1015 CA LEU A 69 -9.537 -2.108 -2.326 1.00 0.00 C ATOM 1016 C LEU A 69 -9.498 -2.512 -3.795 1.00 0.00 C ATOM 1017 O LEU A 69 -9.611 -3.692 -4.123 1.00 0.00 O ATOM 1018 CB LEU A 69 -10.922 -1.559 -1.979 1.00 0.00 C ATOM 1019 CG LEU A 69 -11.997 -2.690 -2.048 1.00 0.00 C ATOM 1020 CD1 LEU A 69 -12.561 -2.979 -0.647 1.00 0.00 C ATOM 1021 CD2 LEU A 69 -13.156 -2.273 -2.966 1.00 0.00 C ATOM 0 H LEU A 69 -8.895 -0.200 -1.737 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.331 -2.986 -1.714 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.907 -1.125 -0.979 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.185 -0.758 -2.670 1.00 0.00 H new ATOM 0 HG LEU A 69 -11.517 -3.585 -2.444 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.309 -3.769 -0.712 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -11.753 -3.297 0.012 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.021 -2.076 -0.247 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -13.896 -3.072 -3.003 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -13.620 -1.366 -2.577 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -12.775 -2.084 -3.970 1.00 0.00 H new ATOM 1033 N SER A 70 -9.319 -1.527 -4.674 1.00 0.00 N ATOM 1034 CA SER A 70 -9.244 -1.804 -6.100 1.00 0.00 C ATOM 1035 C SER A 70 -8.033 -2.678 -6.405 1.00 0.00 C ATOM 1036 O SER A 70 -8.132 -3.642 -7.151 1.00 0.00 O ATOM 1037 CB SER A 70 -9.145 -0.503 -6.892 1.00 0.00 C ATOM 1038 OG SER A 70 -8.712 -0.792 -8.216 1.00 0.00 O ATOM 0 H SER A 70 -9.225 -0.543 -4.424 1.00 0.00 H new ATOM 0 HA SER A 70 -10.152 -2.331 -6.394 1.00 0.00 H new ATOM 0 HB2 SER A 70 -10.113 -0.003 -6.914 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.445 0.179 -6.408 1.00 0.00 H new ATOM 0 HG SER A 70 -8.649 0.041 -8.729 1.00 0.00 H new ATOM 1044 N LEU A 71 -6.888 -2.341 -5.829 1.00 0.00 N ATOM 1045 CA LEU A 71 -5.675 -3.112 -6.081 1.00 0.00 C ATOM 1046 C LEU A 71 -5.864 -4.564 -5.689 1.00 0.00 C ATOM 1047 O LEU A 71 -5.451 -5.475 -6.408 1.00 0.00 O ATOM 1048 CB LEU A 71 -4.513 -2.505 -5.290 1.00 0.00 C ATOM 1049 CG LEU A 71 -3.236 -3.352 -5.436 1.00 0.00 C ATOM 1050 CD1 LEU A 71 -2.897 -3.563 -6.913 1.00 0.00 C ATOM 1051 CD2 LEU A 71 -2.073 -2.611 -4.771 1.00 0.00 C ATOM 0 H LEU A 71 -6.771 -1.552 -5.193 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.453 -3.075 -7.148 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.322 -1.491 -5.641 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.785 -2.432 -4.237 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.400 -4.321 -4.965 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.991 -4.164 -6.996 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.721 -4.079 -7.405 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.736 -2.597 -7.391 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.162 -3.202 -4.868 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.932 -1.645 -5.256 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.295 -2.458 -3.715 1.00 0.00 H new ATOM 1063 N MET A 72 -6.501 -4.789 -4.560 1.00 0.00 N ATOM 1064 CA MET A 72 -6.739 -6.153 -4.120 1.00 0.00 C ATOM 1065 C MET A 72 -7.894 -6.770 -4.910 1.00 0.00 C ATOM 1066 O MET A 72 -7.841 -7.934 -5.300 1.00 0.00 O ATOM 1067 CB MET A 72 -7.055 -6.174 -2.621 1.00 0.00 C ATOM 1068 CG MET A 72 -6.947 -7.616 -2.057 1.00 0.00 C ATOM 1069 SD MET A 72 -5.683 -7.684 -0.760 1.00 0.00 S ATOM 1070 CE MET A 72 -6.775 -7.281 0.628 1.00 0.00 C ATOM 0 H MET A 72 -6.858 -4.063 -3.939 1.00 0.00 H new ATOM 0 HA MET A 72 -5.839 -6.741 -4.299 1.00 0.00 H new ATOM 0 HB2 MET A 72 -6.365 -5.518 -2.090 1.00 0.00 H new ATOM 0 HB3 MET A 72 -8.059 -5.786 -2.451 1.00 0.00 H new ATOM 0 HG2 MET A 72 -7.910 -7.930 -1.654 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.695 -8.310 -2.858 1.00 0.00 H new ATOM 0 HE1 MET A 72 -6.351 -6.453 1.196 1.00 0.00 H new ATOM 0 HE2 MET A 72 -7.756 -6.995 0.248 1.00 0.00 H new ATOM 0 HE3 MET A 72 -6.876 -8.152 1.276 1.00 0.00 H new ATOM 1080 N ALA A 73 -8.938 -5.983 -5.139 1.00 0.00 N ATOM 1081 CA ALA A 73 -10.102 -6.462 -5.883 1.00 0.00 C ATOM 1082 C ALA A 73 -9.787 -6.625 -7.369 1.00 0.00 C ATOM 1083 O ALA A 73 -10.278 -7.552 -8.021 1.00 0.00 O ATOM 1084 CB ALA A 73 -11.266 -5.480 -5.721 1.00 0.00 C ATOM 0 H ALA A 73 -9.005 -5.015 -4.823 1.00 0.00 H new ATOM 0 HA ALA A 73 -10.376 -7.436 -5.478 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.129 -5.844 -6.278 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.525 -5.394 -4.666 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.973 -4.502 -6.104 1.00 0.00 H new