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 Set 1.1: A 60 ASN : amide:sc= -5.05! C(o=-7.2!,f=-17!) USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= -2.18! USER MOD Single : A 13 LYS NZ :NH3+ 156:sc= -0.0216 (180deg=-0.292) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot 180:sc= -0.0537 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 73:sc= 0.266 USER MOD Single : A 41 GLN : amide:sc= -8.06! C(o=-8.1!,f=-4.1!) USER MOD Single : A 42 ASN : amide:sc= -4.03! C(o=-4!,f=-5.5!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl -143:sc= -0.238 (180deg=-1.33!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -50:sc= 0.937 USER MOD Single : A 72 MET CE :methyl -177:sc= -0.805 (180deg=-0.817) USER MOD ----------------------------------------------------------------- ATOM 121 N ILE A 9 -14.640 -6.723 3.135 1.00 0.00 N ATOM 122 CA ILE A 9 -14.284 -5.482 3.808 1.00 0.00 C ATOM 123 C ILE A 9 -13.446 -5.781 5.045 1.00 0.00 C ATOM 124 O ILE A 9 -12.410 -5.161 5.263 1.00 0.00 O ATOM 125 CB ILE A 9 -15.551 -4.726 4.221 1.00 0.00 C ATOM 126 CG1 ILE A 9 -16.498 -4.632 3.017 1.00 0.00 C ATOM 127 CG2 ILE A 9 -15.173 -3.307 4.672 1.00 0.00 C ATOM 128 CD1 ILE A 9 -15.762 -4.078 1.793 1.00 0.00 C ATOM 0 HA ILE A 9 -13.705 -4.866 3.120 1.00 0.00 H new ATOM 0 HB ILE A 9 -16.041 -5.254 5.039 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -16.903 -5.618 2.789 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -17.343 -3.989 3.262 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -16.073 -2.767 4.966 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -14.491 -3.364 5.520 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -14.687 -2.781 3.850 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -16.451 -4.019 0.950 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -15.379 -3.083 2.019 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -14.932 -4.737 1.538 1.00 0.00 H new ATOM 140 N VAL A 10 -13.883 -6.749 5.846 1.00 0.00 N ATOM 141 CA VAL A 10 -13.137 -7.106 7.046 1.00 0.00 C ATOM 142 C VAL A 10 -11.737 -7.576 6.671 1.00 0.00 C ATOM 143 O VAL A 10 -10.751 -7.142 7.268 1.00 0.00 O ATOM 144 CB VAL A 10 -13.875 -8.203 7.826 1.00 0.00 C ATOM 145 CG1 VAL A 10 -12.968 -8.755 8.935 1.00 0.00 C ATOM 146 CG2 VAL A 10 -15.148 -7.616 8.456 1.00 0.00 C ATOM 0 H VAL A 10 -14.733 -7.290 5.690 1.00 0.00 H new ATOM 0 HA VAL A 10 -13.053 -6.225 7.682 1.00 0.00 H new ATOM 0 HB VAL A 10 -14.141 -9.010 7.143 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -13.498 -9.533 9.485 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -12.065 -9.175 8.491 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -12.696 -7.950 9.617 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -15.672 -8.395 9.010 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -14.878 -6.807 9.135 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -15.798 -7.229 7.671 1.00 0.00 H new ATOM 156 N ASP A 11 -11.645 -8.453 5.677 1.00 0.00 N ATOM 157 CA ASP A 11 -10.340 -8.941 5.248 1.00 0.00 C ATOM 158 C ASP A 11 -9.514 -7.788 4.678 1.00 0.00 C ATOM 159 O ASP A 11 -8.369 -7.580 5.077 1.00 0.00 O ATOM 160 CB ASP A 11 -10.509 -10.040 4.197 1.00 0.00 C ATOM 161 CG ASP A 11 -9.142 -10.549 3.750 1.00 0.00 C ATOM 162 OD1 ASP A 11 -8.151 -10.012 4.216 1.00 0.00 O ATOM 163 OD2 ASP A 11 -9.108 -11.473 2.953 1.00 0.00 O ATOM 0 H ASP A 11 -12.440 -8.834 5.163 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.817 -9.358 6.109 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.095 -10.861 4.609 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.060 -9.653 3.340 1.00 0.00 H new ATOM 168 N PHE A 12 -10.103 -7.039 3.752 1.00 0.00 N ATOM 169 CA PHE A 12 -9.405 -5.903 3.144 1.00 0.00 C ATOM 170 C PHE A 12 -9.087 -4.862 4.185 1.00 0.00 C ATOM 171 O PHE A 12 -7.942 -4.429 4.303 1.00 0.00 O ATOM 172 CB PHE A 12 -10.265 -5.310 2.022 1.00 0.00 C ATOM 173 CG PHE A 12 -10.466 -6.331 0.899 1.00 0.00 C ATOM 174 CD1 PHE A 12 -9.816 -7.591 0.909 1.00 0.00 C ATOM 175 CD2 PHE A 12 -11.314 -6.014 -0.170 1.00 0.00 C ATOM 176 CE1 PHE A 12 -10.013 -8.488 -0.121 1.00 0.00 C ATOM 177 CE2 PHE A 12 -11.504 -6.934 -1.210 1.00 0.00 C ATOM 178 CZ PHE A 12 -10.852 -8.169 -1.180 1.00 0.00 C ATOM 0 H PHE A 12 -11.050 -7.192 3.407 1.00 0.00 H new ATOM 0 HA PHE A 12 -8.463 -6.248 2.717 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -11.233 -5.005 2.421 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -9.787 -4.414 1.625 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -9.162 -7.851 1.728 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -11.821 -5.061 -0.193 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -9.511 -9.444 -0.103 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.155 -6.688 -2.036 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.001 -8.877 -1.982 1.00 0.00 H new ATOM 188 N LYS A 13 -10.092 -4.460 4.942 1.00 0.00 N ATOM 189 CA LYS A 13 -9.886 -3.460 5.967 1.00 0.00 C ATOM 190 C LYS A 13 -8.760 -3.894 6.895 1.00 0.00 C ATOM 191 O LYS A 13 -7.958 -3.068 7.332 1.00 0.00 O ATOM 192 CB LYS A 13 -11.183 -3.261 6.762 1.00 0.00 C ATOM 193 CG LYS A 13 -11.040 -2.083 7.746 1.00 0.00 C ATOM 194 CD LYS A 13 -11.395 -0.757 7.039 1.00 0.00 C ATOM 195 CE LYS A 13 -12.898 -0.493 7.168 1.00 0.00 C ATOM 196 NZ LYS A 13 -13.199 -0.060 8.561 1.00 0.00 N ATOM 0 H LYS A 13 -11.048 -4.808 4.866 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.609 -2.515 5.499 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.010 -3.072 6.078 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -11.424 -4.172 7.309 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.695 -2.234 8.604 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.020 -2.039 8.128 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.832 0.065 7.481 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.113 -0.807 5.987 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -13.207 0.276 6.460 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -13.460 -1.394 6.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -14.079 0.494 8.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -13.311 -0.897 9.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -12.418 0.525 8.919 1.00 0.00 H new ATOM 210 N GLU A 14 -8.683 -5.188 7.190 1.00 0.00 N ATOM 211 CA GLU A 14 -7.628 -5.686 8.058 1.00 0.00 C ATOM 212 C GLU A 14 -6.281 -5.570 7.362 1.00 0.00 C ATOM 213 O GLU A 14 -5.277 -5.223 7.979 1.00 0.00 O ATOM 214 CB GLU A 14 -7.885 -7.142 8.413 1.00 0.00 C ATOM 215 CG GLU A 14 -6.938 -7.580 9.537 1.00 0.00 C ATOM 216 CD GLU A 14 -7.183 -9.048 9.881 1.00 0.00 C ATOM 217 OE1 GLU A 14 -8.213 -9.566 9.482 1.00 0.00 O ATOM 218 OE2 GLU A 14 -6.340 -9.631 10.543 1.00 0.00 O ATOM 0 H GLU A 14 -9.329 -5.899 6.846 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.618 -5.088 8.969 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.921 -7.271 8.727 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.737 -7.771 7.535 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.902 -7.438 9.228 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.095 -6.960 10.419 1.00 0.00 H new ATOM 225 N ALA A 15 -6.275 -5.847 6.066 1.00 0.00 N ATOM 226 CA ALA A 15 -5.038 -5.750 5.296 1.00 0.00 C ATOM 227 C ALA A 15 -4.532 -4.310 5.292 1.00 0.00 C ATOM 228 O ALA A 15 -3.376 -4.053 5.631 1.00 0.00 O ATOM 229 CB ALA A 15 -5.254 -6.223 3.854 1.00 0.00 C ATOM 0 H ALA A 15 -7.094 -6.136 5.531 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.295 -6.393 5.767 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.319 -6.141 3.300 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.584 -7.262 3.857 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.013 -5.603 3.377 1.00 0.00 H new ATOM 235 N PHE A 16 -5.398 -3.366 4.919 1.00 0.00 N ATOM 236 CA PHE A 16 -5.009 -1.963 4.893 1.00 0.00 C ATOM 237 C PHE A 16 -4.643 -1.478 6.290 1.00 0.00 C ATOM 238 O PHE A 16 -3.603 -0.851 6.483 1.00 0.00 O ATOM 239 CB PHE A 16 -6.164 -1.120 4.349 1.00 0.00 C ATOM 240 CG PHE A 16 -5.723 0.316 4.225 1.00 0.00 C ATOM 241 CD1 PHE A 16 -5.099 0.756 3.054 1.00 0.00 C ATOM 242 CD2 PHE A 16 -5.942 1.210 5.279 1.00 0.00 C ATOM 243 CE1 PHE A 16 -4.690 2.087 2.935 1.00 0.00 C ATOM 244 CE2 PHE A 16 -5.530 2.542 5.162 1.00 0.00 C ATOM 245 CZ PHE A 16 -4.906 2.980 3.988 1.00 0.00 C ATOM 0 H PHE A 16 -6.361 -3.548 4.635 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.137 -1.858 4.247 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -6.479 -1.500 3.377 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -7.025 -1.191 5.014 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.933 0.066 2.240 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -6.429 0.872 6.182 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.207 2.425 2.030 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -5.693 3.232 5.977 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.591 4.009 3.896 1.00 0.00 H new ATOM 255 N GLY A 17 -5.505 -1.766 7.265 1.00 0.00 N ATOM 256 CA GLY A 17 -5.244 -1.336 8.631 1.00 0.00 C ATOM 257 C GLY A 17 -3.887 -1.843 9.085 1.00 0.00 C ATOM 258 O GLY A 17 -3.103 -1.099 9.673 1.00 0.00 O ATOM 0 H GLY A 17 -6.373 -2.285 7.135 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.273 -0.248 8.690 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.023 -1.712 9.294 1.00 0.00 H new ATOM 262 N LEU A 18 -3.599 -3.107 8.797 1.00 0.00 N ATOM 263 CA LEU A 18 -2.323 -3.684 9.163 1.00 0.00 C ATOM 264 C LEU A 18 -1.192 -2.958 8.437 1.00 0.00 C ATOM 265 O LEU A 18 -0.122 -2.736 9.000 1.00 0.00 O ATOM 266 CB LEU A 18 -2.320 -5.189 8.812 1.00 0.00 C ATOM 267 CG LEU A 18 -3.049 -6.001 9.898 1.00 0.00 C ATOM 268 CD1 LEU A 18 -3.225 -7.450 9.418 1.00 0.00 C ATOM 269 CD2 LEU A 18 -2.234 -5.992 11.210 1.00 0.00 C ATOM 0 H LEU A 18 -4.232 -3.744 8.314 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.167 -3.572 10.236 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.805 -5.344 7.848 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.294 -5.543 8.713 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.024 -5.550 10.083 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.741 -8.027 10.185 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.812 -7.460 8.500 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.247 -7.892 9.228 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.761 -6.570 11.970 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.254 -6.434 11.032 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.112 -4.965 11.555 1.00 0.00 H new ATOM 281 N PHE A 19 -1.437 -2.599 7.180 1.00 0.00 N ATOM 282 CA PHE A 19 -0.430 -1.909 6.374 1.00 0.00 C ATOM 283 C PHE A 19 -0.202 -0.522 6.904 1.00 0.00 C ATOM 284 O PHE A 19 0.936 -0.081 7.067 1.00 0.00 O ATOM 285 CB PHE A 19 -0.884 -1.861 4.903 1.00 0.00 C ATOM 286 CG PHE A 19 -0.863 -3.263 4.286 1.00 0.00 C ATOM 287 CD1 PHE A 19 -0.767 -4.423 5.097 1.00 0.00 C ATOM 288 CD2 PHE A 19 -0.933 -3.414 2.888 1.00 0.00 C ATOM 289 CE1 PHE A 19 -0.748 -5.681 4.527 1.00 0.00 C ATOM 290 CE2 PHE A 19 -0.910 -4.700 2.323 1.00 0.00 C ATOM 291 CZ PHE A 19 -0.814 -5.829 3.148 1.00 0.00 C ATOM 0 H PHE A 19 -2.319 -2.773 6.698 1.00 0.00 H new ATOM 0 HA PHE A 19 0.511 -2.456 6.432 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.890 -1.445 4.841 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -0.230 -1.199 4.336 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.708 -4.321 6.171 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.004 -2.544 2.252 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.681 -6.555 5.158 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.966 -4.819 1.251 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.791 -6.816 2.710 1.00 0.00 H new ATOM 301 N ASP A 20 -1.289 0.163 7.180 1.00 0.00 N ATOM 302 CA ASP A 20 -1.208 1.508 7.699 1.00 0.00 C ATOM 303 C ASP A 20 -0.887 1.480 9.192 1.00 0.00 C ATOM 304 O ASP A 20 -1.499 2.185 9.988 1.00 0.00 O ATOM 305 CB ASP A 20 -2.539 2.201 7.433 1.00 0.00 C ATOM 306 CG ASP A 20 -2.579 3.566 8.108 1.00 0.00 C ATOM 307 OD1 ASP A 20 -1.531 4.024 8.533 1.00 0.00 O ATOM 308 OD2 ASP A 20 -3.653 4.133 8.193 1.00 0.00 O ATOM 0 H ASP A 20 -2.238 -0.189 7.054 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.407 2.059 7.205 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.687 2.316 6.359 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.357 1.583 7.803 1.00 0.00 H new ATOM 313 N LYS A 21 0.052 0.618 9.566 1.00 0.00 N ATOM 314 CA LYS A 21 0.438 0.468 10.969 1.00 0.00 C ATOM 315 C LYS A 21 0.438 1.809 11.707 1.00 0.00 C ATOM 316 O LYS A 21 0.321 1.843 12.932 1.00 0.00 O ATOM 317 CB LYS A 21 1.829 -0.167 11.071 1.00 0.00 C ATOM 318 CG LYS A 21 2.871 0.705 10.329 1.00 0.00 C ATOM 319 CD LYS A 21 3.633 1.582 11.328 1.00 0.00 C ATOM 320 CE LYS A 21 4.654 2.434 10.580 1.00 0.00 C ATOM 321 NZ LYS A 21 5.388 3.292 11.553 1.00 0.00 N ATOM 0 H LYS A 21 0.560 0.013 8.921 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.301 -0.180 11.440 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.112 -0.273 12.118 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.812 -1.169 10.643 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.569 0.068 9.787 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.372 1.332 9.590 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.937 2.222 11.871 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.136 0.958 12.067 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.354 1.795 10.042 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.153 3.054 9.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.085 3.874 11.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.714 3.911 12.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.878 2.690 12.246 1.00 0.00 H new ATOM 335 N ASP A 22 0.575 2.909 10.971 1.00 0.00 N ATOM 336 CA ASP A 22 0.595 4.238 11.582 1.00 0.00 C ATOM 337 C ASP A 22 -0.815 4.765 11.831 1.00 0.00 C ATOM 338 O ASP A 22 -1.035 5.565 12.741 1.00 0.00 O ATOM 339 CB ASP A 22 1.356 5.204 10.666 1.00 0.00 C ATOM 340 CG ASP A 22 0.948 4.977 9.214 1.00 0.00 C ATOM 341 OD1 ASP A 22 0.807 3.828 8.831 1.00 0.00 O ATOM 342 OD2 ASP A 22 0.792 5.951 8.505 1.00 0.00 O ATOM 0 H ASP A 22 0.673 2.908 9.956 1.00 0.00 H new ATOM 0 HA ASP A 22 1.095 4.162 12.547 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.146 6.234 10.955 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.430 5.055 10.778 1.00 0.00 H new ATOM 347 N GLY A 23 -1.772 4.310 11.030 1.00 0.00 N ATOM 348 CA GLY A 23 -3.159 4.739 11.187 1.00 0.00 C ATOM 349 C GLY A 23 -3.424 6.082 10.508 1.00 0.00 C ATOM 350 O GLY A 23 -4.427 6.735 10.793 1.00 0.00 O ATOM 0 H GLY A 23 -1.616 3.648 10.270 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.822 3.983 10.766 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.397 4.816 12.248 1.00 0.00 H new ATOM 354 N ASP A 24 -2.518 6.506 9.632 1.00 0.00 N ATOM 355 CA ASP A 24 -2.684 7.788 8.956 1.00 0.00 C ATOM 356 C ASP A 24 -3.833 7.722 7.955 1.00 0.00 C ATOM 357 O ASP A 24 -4.207 8.732 7.361 1.00 0.00 O ATOM 358 CB ASP A 24 -1.396 8.179 8.230 1.00 0.00 C ATOM 359 CG ASP A 24 -1.066 7.148 7.156 1.00 0.00 C ATOM 360 OD1 ASP A 24 -1.908 6.307 6.889 1.00 0.00 O ATOM 361 OD2 ASP A 24 0.028 7.214 6.621 1.00 0.00 O ATOM 0 H ASP A 24 -1.675 5.991 9.377 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.913 8.541 9.710 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.509 9.164 7.777 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.574 8.249 8.943 1.00 0.00 H new ATOM 366 N GLY A 25 -4.385 6.529 7.774 1.00 0.00 N ATOM 367 CA GLY A 25 -5.491 6.342 6.843 1.00 0.00 C ATOM 368 C GLY A 25 -4.987 6.271 5.406 1.00 0.00 C ATOM 369 O GLY A 25 -5.738 5.915 4.498 1.00 0.00 O ATOM 0 H GLY A 25 -4.087 5.681 8.256 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.028 5.426 7.090 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.199 7.164 6.944 1.00 0.00 H new ATOM 373 N CYS A 26 -3.716 6.626 5.201 1.00 0.00 N ATOM 374 CA CYS A 26 -3.123 6.606 3.856 1.00 0.00 C ATOM 375 C CYS A 26 -1.773 5.893 3.878 1.00 0.00 C ATOM 376 O CYS A 26 -0.934 6.176 4.727 1.00 0.00 O ATOM 377 CB CYS A 26 -2.938 8.043 3.350 1.00 0.00 C ATOM 378 SG CYS A 26 -4.492 8.630 2.634 1.00 0.00 S ATOM 0 H CYS A 26 -3.081 6.928 5.940 1.00 0.00 H new ATOM 0 HA CYS A 26 -3.794 6.067 3.187 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -2.634 8.693 4.170 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -2.144 8.079 2.604 1.00 0.00 H new ATOM 0 HG CYS A 26 -4.340 9.848 2.206 1.00 0.00 H new ATOM 384 N ILE A 27 -1.562 4.986 2.921 1.00 0.00 N ATOM 385 CA ILE A 27 -0.294 4.255 2.832 1.00 0.00 C ATOM 386 C ILE A 27 0.607 4.905 1.788 1.00 0.00 C ATOM 387 O ILE A 27 0.276 4.915 0.603 1.00 0.00 O ATOM 388 CB ILE A 27 -0.544 2.800 2.413 1.00 0.00 C ATOM 389 CG1 ILE A 27 -1.428 2.083 3.438 1.00 0.00 C ATOM 390 CG2 ILE A 27 0.792 2.059 2.315 1.00 0.00 C ATOM 391 CD1 ILE A 27 -1.917 0.762 2.836 1.00 0.00 C ATOM 0 H ILE A 27 -2.244 4.741 2.203 1.00 0.00 H new ATOM 0 HA ILE A 27 0.183 4.280 3.812 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.048 2.804 1.447 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.867 1.895 4.353 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.277 2.711 3.708 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.614 1.026 2.017 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.425 2.546 1.573 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.290 2.077 3.285 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.547 0.244 3.559 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.492 0.965 1.932 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.060 0.136 2.588 1.00 0.00 H new ATOM 403 N THR A 28 1.747 5.439 2.217 1.00 0.00 N ATOM 404 CA THR A 28 2.667 6.068 1.271 1.00 0.00 C ATOM 405 C THR A 28 3.475 4.989 0.556 1.00 0.00 C ATOM 406 O THR A 28 3.570 3.860 1.039 1.00 0.00 O ATOM 407 CB THR A 28 3.614 7.037 2.003 1.00 0.00 C ATOM 408 OG1 THR A 28 2.923 7.647 3.080 1.00 0.00 O ATOM 409 CG2 THR A 28 4.106 8.117 1.031 1.00 0.00 C ATOM 0 H THR A 28 2.052 5.451 3.190 1.00 0.00 H new ATOM 0 HA THR A 28 2.091 6.636 0.540 1.00 0.00 H new ATOM 0 HB THR A 28 4.471 6.483 2.386 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.525 8.263 3.548 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.776 8.800 1.554 1.00 0.00 H new ATOM 0 HG22 THR A 28 4.640 7.647 0.205 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.253 8.673 0.642 1.00 0.00 H new ATOM 417 N VAL A 29 4.056 5.328 -0.590 1.00 0.00 N ATOM 418 CA VAL A 29 4.842 4.350 -1.334 1.00 0.00 C ATOM 419 C VAL A 29 5.965 3.792 -0.462 1.00 0.00 C ATOM 420 O VAL A 29 6.219 2.588 -0.463 1.00 0.00 O ATOM 421 CB VAL A 29 5.431 4.982 -2.598 1.00 0.00 C ATOM 422 CG1 VAL A 29 6.295 6.184 -2.218 1.00 0.00 C ATOM 423 CG2 VAL A 29 6.293 3.945 -3.335 1.00 0.00 C ATOM 0 H VAL A 29 4.000 6.253 -1.017 1.00 0.00 H new ATOM 0 HA VAL A 29 4.181 3.533 -1.624 1.00 0.00 H new ATOM 0 HB VAL A 29 4.620 5.311 -3.248 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.713 6.631 -3.120 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.684 6.921 -1.697 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.105 5.858 -1.566 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.713 4.394 -4.235 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.102 3.615 -2.683 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.677 3.089 -3.610 1.00 0.00 H new ATOM 433 N GLU A 30 6.625 4.664 0.294 1.00 0.00 N ATOM 434 CA GLU A 30 7.700 4.225 1.167 1.00 0.00 C ATOM 435 C GLU A 30 7.165 3.249 2.214 1.00 0.00 C ATOM 436 O GLU A 30 7.792 2.227 2.519 1.00 0.00 O ATOM 437 CB GLU A 30 8.330 5.434 1.862 1.00 0.00 C ATOM 438 CG GLU A 30 9.103 6.271 0.841 1.00 0.00 C ATOM 439 CD GLU A 30 9.714 7.492 1.519 1.00 0.00 C ATOM 440 OE1 GLU A 30 9.536 7.634 2.718 1.00 0.00 O ATOM 441 OE2 GLU A 30 10.354 8.269 0.829 1.00 0.00 O ATOM 0 H GLU A 30 6.435 5.666 0.318 1.00 0.00 H new ATOM 0 HA GLU A 30 8.456 3.719 0.567 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.555 6.040 2.332 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.999 5.102 2.655 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.888 5.668 0.385 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.436 6.587 0.039 1.00 0.00 H new ATOM 448 N GLU A 31 5.986 3.555 2.744 1.00 0.00 N ATOM 449 CA GLU A 31 5.364 2.693 3.738 1.00 0.00 C ATOM 450 C GLU A 31 4.918 1.384 3.097 1.00 0.00 C ATOM 451 O GLU A 31 4.999 0.319 3.708 1.00 0.00 O ATOM 452 CB GLU A 31 4.168 3.405 4.367 1.00 0.00 C ATOM 453 CG GLU A 31 3.616 2.564 5.517 1.00 0.00 C ATOM 454 CD GLU A 31 2.544 3.354 6.251 1.00 0.00 C ATOM 455 OE1 GLU A 31 2.499 4.561 6.069 1.00 0.00 O ATOM 456 OE2 GLU A 31 1.789 2.748 6.989 1.00 0.00 O ATOM 0 H GLU A 31 5.447 4.387 2.504 1.00 0.00 H new ATOM 0 HA GLU A 31 6.093 2.468 4.516 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.468 4.387 4.733 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.393 3.567 3.618 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.199 1.633 5.134 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.419 2.295 6.203 1.00 0.00 H new ATOM 463 N LEU A 32 4.472 1.463 1.848 1.00 0.00 N ATOM 464 CA LEU A 32 4.048 0.260 1.145 1.00 0.00 C ATOM 465 C LEU A 32 5.263 -0.655 1.011 1.00 0.00 C ATOM 466 O LEU A 32 5.173 -1.862 1.228 1.00 0.00 O ATOM 467 CB LEU A 32 3.477 0.615 -0.240 1.00 0.00 C ATOM 468 CG LEU A 32 2.924 -0.648 -0.933 1.00 0.00 C ATOM 469 CD1 LEU A 32 1.529 -0.992 -0.389 1.00 0.00 C ATOM 470 CD2 LEU A 32 2.834 -0.411 -2.439 1.00 0.00 C ATOM 0 H LEU A 32 4.396 2.327 1.312 1.00 0.00 H new ATOM 0 HA LEU A 32 3.258 -0.244 1.702 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.685 1.356 -0.135 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.255 1.065 -0.857 1.00 0.00 H new ATOM 0 HG LEU A 32 3.599 -1.480 -0.730 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.154 -1.885 -0.888 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.592 -1.175 0.684 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.850 -0.160 -0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.443 -1.305 -2.925 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.169 0.430 -2.636 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.826 -0.188 -2.832 1.00 0.00 H new ATOM 482 N ALA A 33 6.403 -0.065 0.654 1.00 0.00 N ATOM 483 CA ALA A 33 7.630 -0.837 0.503 1.00 0.00 C ATOM 484 C ALA A 33 7.925 -1.590 1.795 1.00 0.00 C ATOM 485 O ALA A 33 8.330 -2.753 1.765 1.00 0.00 O ATOM 486 CB ALA A 33 8.798 0.089 0.158 1.00 0.00 C ATOM 0 H ALA A 33 6.500 0.933 0.466 1.00 0.00 H new ATOM 0 HA ALA A 33 7.501 -1.553 -0.308 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.709 -0.500 0.048 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.587 0.609 -0.777 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.932 0.819 0.957 1.00 0.00 H new ATOM 492 N THR A 34 7.696 -0.937 2.928 1.00 0.00 N ATOM 493 CA THR A 34 7.915 -1.590 4.214 1.00 0.00 C ATOM 494 C THR A 34 6.984 -2.802 4.336 1.00 0.00 C ATOM 495 O THR A 34 7.401 -3.865 4.800 1.00 0.00 O ATOM 496 CB THR A 34 7.686 -0.591 5.366 1.00 0.00 C ATOM 497 OG1 THR A 34 8.813 0.270 5.461 1.00 0.00 O ATOM 498 CG2 THR A 34 7.493 -1.328 6.700 1.00 0.00 C ATOM 0 H THR A 34 7.365 0.026 2.984 1.00 0.00 H new ATOM 0 HA THR A 34 8.946 -1.937 4.276 1.00 0.00 H new ATOM 0 HB THR A 34 6.785 -0.014 5.158 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.675 0.910 6.190 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.333 -0.602 7.497 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.627 -1.986 6.630 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.382 -1.919 6.921 1.00 0.00 H new ATOM 506 N VAL A 35 5.720 -2.654 3.911 1.00 0.00 N ATOM 507 CA VAL A 35 4.788 -3.780 3.985 1.00 0.00 C ATOM 508 C VAL A 35 5.207 -4.879 3.009 1.00 0.00 C ATOM 509 O VAL A 35 5.299 -6.049 3.381 1.00 0.00 O ATOM 510 CB VAL A 35 3.349 -3.320 3.694 1.00 0.00 C ATOM 511 CG1 VAL A 35 2.448 -4.549 3.528 1.00 0.00 C ATOM 512 CG2 VAL A 35 2.842 -2.489 4.875 1.00 0.00 C ATOM 0 H VAL A 35 5.332 -1.793 3.525 1.00 0.00 H new ATOM 0 HA VAL A 35 4.816 -4.183 4.998 1.00 0.00 H new ATOM 0 HB VAL A 35 3.332 -2.723 2.782 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.427 -4.227 3.322 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.811 -5.157 2.699 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.464 -5.138 4.445 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.822 -2.159 4.677 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.857 -3.096 5.780 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.485 -1.619 5.011 1.00 0.00 H new ATOM 522 N ILE A 36 5.484 -4.492 1.767 1.00 0.00 N ATOM 523 CA ILE A 36 5.910 -5.457 0.761 1.00 0.00 C ATOM 524 C ILE A 36 7.216 -6.104 1.204 1.00 0.00 C ATOM 525 O ILE A 36 7.436 -7.294 0.992 1.00 0.00 O ATOM 526 CB ILE A 36 6.073 -4.781 -0.604 1.00 0.00 C ATOM 527 CG1 ILE A 36 4.734 -4.167 -1.018 1.00 0.00 C ATOM 528 CG2 ILE A 36 6.505 -5.817 -1.648 1.00 0.00 C ATOM 529 CD1 ILE A 36 4.933 -3.255 -2.231 1.00 0.00 C ATOM 0 H ILE A 36 5.422 -3.529 1.437 1.00 0.00 H new ATOM 0 HA ILE A 36 5.147 -6.228 0.659 1.00 0.00 H new ATOM 0 HB ILE A 36 6.834 -4.003 -0.538 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.021 -4.956 -1.258 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.313 -3.598 -0.189 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.620 -5.331 -2.617 1.00 0.00 H new ATOM 0 HG22 ILE A 36 7.455 -6.260 -1.350 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.748 -6.598 -1.721 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.976 -2.821 -2.521 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.631 -2.457 -1.976 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.334 -3.836 -3.061 1.00 0.00 H new ATOM 541 N ARG A 37 8.076 -5.309 1.833 1.00 0.00 N ATOM 542 CA ARG A 37 9.352 -5.816 2.319 1.00 0.00 C ATOM 543 C ARG A 37 9.129 -6.942 3.326 1.00 0.00 C ATOM 544 O ARG A 37 9.832 -7.952 3.310 1.00 0.00 O ATOM 545 CB ARG A 37 10.144 -4.683 2.980 1.00 0.00 C ATOM 546 CG ARG A 37 11.412 -5.245 3.625 1.00 0.00 C ATOM 547 CD ARG A 37 12.246 -4.100 4.183 1.00 0.00 C ATOM 548 NE ARG A 37 11.499 -3.382 5.203 1.00 0.00 N ATOM 549 CZ ARG A 37 11.993 -2.284 5.759 1.00 0.00 C ATOM 550 NH1 ARG A 37 13.168 -1.846 5.399 1.00 0.00 N ATOM 551 NH2 ARG A 37 11.307 -1.647 6.668 1.00 0.00 N ATOM 0 H ARG A 37 7.913 -4.319 2.017 1.00 0.00 H new ATOM 0 HA ARG A 37 9.917 -6.207 1.473 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.406 -3.929 2.238 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.530 -4.189 3.733 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.150 -5.941 4.422 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.989 -5.805 2.890 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.172 -4.488 4.607 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.524 -3.419 3.379 1.00 0.00 H new ATOM 0 HE ARG A 37 10.584 -3.727 5.494 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.705 -2.348 4.691 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.550 -1.002 5.825 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.390 -1.994 6.951 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.687 -0.803 7.095 1.00 0.00 H new ATOM 565 N SER A 38 8.151 -6.757 4.202 1.00 0.00 N ATOM 566 CA SER A 38 7.845 -7.762 5.210 1.00 0.00 C ATOM 567 C SER A 38 7.311 -9.034 4.564 1.00 0.00 C ATOM 568 O SER A 38 7.552 -10.137 5.053 1.00 0.00 O ATOM 569 CB SER A 38 6.799 -7.225 6.183 1.00 0.00 C ATOM 570 OG SER A 38 7.342 -6.127 6.898 1.00 0.00 O ATOM 0 H SER A 38 7.560 -5.926 4.235 1.00 0.00 H new ATOM 0 HA SER A 38 8.766 -7.993 5.744 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.906 -6.914 5.640 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.494 -8.009 6.876 1.00 0.00 H new ATOM 0 HG SER A 38 7.403 -5.349 6.306 1.00 0.00 H new ATOM 576 N LEU A 39 6.558 -8.870 3.482 1.00 0.00 N ATOM 577 CA LEU A 39 5.963 -10.010 2.812 1.00 0.00 C ATOM 578 C LEU A 39 7.000 -10.997 2.319 1.00 0.00 C ATOM 579 O LEU A 39 6.769 -12.189 2.473 1.00 0.00 O ATOM 580 CB LEU A 39 5.101 -9.552 1.638 1.00 0.00 C ATOM 581 CG LEU A 39 3.848 -8.823 2.147 1.00 0.00 C ATOM 582 CD1 LEU A 39 3.039 -8.278 0.955 1.00 0.00 C ATOM 583 CD2 LEU A 39 2.965 -9.788 2.974 1.00 0.00 C ATOM 0 H LEU A 39 6.349 -7.967 3.057 1.00 0.00 H new ATOM 0 HA LEU A 39 5.343 -10.517 3.551 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.677 -8.890 0.992 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.810 -10.412 1.035 1.00 0.00 H new ATOM 0 HG LEU A 39 4.160 -7.994 2.783 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.152 -7.762 1.323 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.654 -7.581 0.386 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.738 -9.105 0.312 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.081 -9.258 3.329 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.659 -10.627 2.349 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.532 -10.159 3.828 1.00 0.00 H new ATOM 595 N ASP A 40 8.117 -10.499 1.741 1.00 0.00 N ATOM 596 CA ASP A 40 9.213 -11.359 1.219 1.00 0.00 C ATOM 597 C ASP A 40 9.626 -10.943 -0.200 1.00 0.00 C ATOM 598 O ASP A 40 10.265 -11.708 -0.917 1.00 0.00 O ATOM 599 CB ASP A 40 8.810 -12.847 1.198 1.00 0.00 C ATOM 600 CG ASP A 40 9.907 -13.710 0.606 1.00 0.00 C ATOM 601 OD1 ASP A 40 11.052 -13.293 0.648 1.00 0.00 O ATOM 602 OD2 ASP A 40 9.586 -14.782 0.122 1.00 0.00 O ATOM 0 H ASP A 40 8.287 -9.500 1.622 1.00 0.00 H new ATOM 0 HA ASP A 40 10.056 -11.225 1.897 1.00 0.00 H new ATOM 0 HB2 ASP A 40 8.591 -13.180 2.212 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.896 -12.970 0.617 1.00 0.00 H new ATOM 607 N GLN A 41 9.273 -9.731 -0.610 1.00 0.00 N ATOM 608 CA GLN A 41 9.630 -9.258 -1.952 1.00 0.00 C ATOM 609 C GLN A 41 10.017 -7.789 -1.900 1.00 0.00 C ATOM 610 O GLN A 41 9.608 -7.066 -0.993 1.00 0.00 O ATOM 611 CB GLN A 41 8.436 -9.445 -2.906 1.00 0.00 C ATOM 612 CG GLN A 41 7.116 -9.184 -2.148 1.00 0.00 C ATOM 613 CD GLN A 41 6.565 -10.488 -1.573 1.00 0.00 C ATOM 614 OE1 GLN A 41 5.384 -10.569 -1.236 1.00 0.00 O ATOM 615 NE2 GLN A 41 7.354 -11.519 -1.446 1.00 0.00 N ATOM 0 H GLN A 41 8.748 -9.063 -0.046 1.00 0.00 H new ATOM 0 HA GLN A 41 10.478 -9.838 -2.317 1.00 0.00 H new ATOM 0 HB2 GLN A 41 8.523 -8.761 -3.750 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.439 -10.456 -3.313 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.286 -8.468 -1.344 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.384 -8.738 -2.822 1.00 0.00 H new ATOM 0 HE21 GLN A 41 8.332 -11.450 -1.726 1.00 0.00 H new ATOM 0 HE22 GLN A 41 6.992 -12.394 -1.067 1.00 0.00 H new ATOM 624 N ASN A 42 10.809 -7.345 -2.872 1.00 0.00 N ATOM 625 CA ASN A 42 11.238 -5.949 -2.911 1.00 0.00 C ATOM 626 C ASN A 42 11.449 -5.486 -4.350 1.00 0.00 C ATOM 627 O ASN A 42 12.579 -5.353 -4.810 1.00 0.00 O ATOM 628 CB ASN A 42 12.544 -5.784 -2.130 1.00 0.00 C ATOM 629 CG ASN A 42 12.451 -6.512 -0.792 1.00 0.00 C ATOM 630 OD1 ASN A 42 12.371 -7.741 -0.757 1.00 0.00 O ATOM 631 ND2 ASN A 42 12.461 -5.825 0.316 1.00 0.00 N ATOM 0 H ASN A 42 11.163 -7.923 -3.634 1.00 0.00 H new ATOM 0 HA ASN A 42 10.457 -5.340 -2.457 1.00 0.00 H new ATOM 0 HB2 ASN A 42 13.377 -6.180 -2.711 1.00 0.00 H new ATOM 0 HB3 ASN A 42 12.746 -4.726 -1.964 1.00 0.00 H new ATOM 0 HD21 ASN A 42 12.403 -6.305 1.214 1.00 0.00 H new ATOM 0 HD22 ASN A 42 12.527 -4.808 0.285 1.00 0.00 H new ATOM 638 N PRO A 43 10.379 -5.225 -5.062 1.00 0.00 N ATOM 639 CA PRO A 43 10.449 -4.749 -6.478 1.00 0.00 C ATOM 640 C PRO A 43 11.220 -3.432 -6.583 1.00 0.00 C ATOM 641 O PRO A 43 11.553 -2.823 -5.567 1.00 0.00 O ATOM 642 CB PRO A 43 8.974 -4.575 -6.891 1.00 0.00 C ATOM 643 CG PRO A 43 8.188 -5.386 -5.909 1.00 0.00 C ATOM 644 CD PRO A 43 8.985 -5.358 -4.605 1.00 0.00 C ATOM 0 HA PRO A 43 10.980 -5.446 -7.127 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.678 -3.526 -6.860 1.00 0.00 H new ATOM 0 HB3 PRO A 43 8.808 -4.923 -7.910 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.192 -4.967 -5.766 1.00 0.00 H new ATOM 0 HG3 PRO A 43 8.056 -6.408 -6.264 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.688 -4.523 -3.970 1.00 0.00 H new ATOM 0 HD3 PRO A 43 8.837 -6.268 -4.024 1.00 0.00 H new ATOM 652 N THR A 44 11.493 -2.985 -7.809 1.00 0.00 N ATOM 653 CA THR A 44 12.208 -1.735 -8.010 1.00 0.00 C ATOM 654 C THR A 44 11.224 -0.569 -7.989 1.00 0.00 C ATOM 655 O THR A 44 10.023 -0.755 -8.178 1.00 0.00 O ATOM 656 CB THR A 44 12.936 -1.777 -9.348 1.00 0.00 C ATOM 657 OG1 THR A 44 13.599 -3.024 -9.493 1.00 0.00 O ATOM 658 CG2 THR A 44 13.957 -0.647 -9.424 1.00 0.00 C ATOM 0 H THR A 44 11.231 -3.468 -8.668 1.00 0.00 H new ATOM 0 HA THR A 44 12.935 -1.599 -7.209 1.00 0.00 H new ATOM 0 HB THR A 44 12.208 -1.656 -10.150 1.00 0.00 H new ATOM 0 HG1 THR A 44 14.065 -3.049 -10.355 1.00 0.00 H new ATOM 0 HG21 THR A 44 14.472 -0.686 -10.384 1.00 0.00 H new ATOM 0 HG22 THR A 44 13.447 0.311 -9.324 1.00 0.00 H new ATOM 0 HG23 THR A 44 14.683 -0.758 -8.618 1.00 0.00 H new ATOM 666 N GLU A 45 11.739 0.627 -7.755 1.00 0.00 N ATOM 667 CA GLU A 45 10.886 1.815 -7.710 1.00 0.00 C ATOM 668 C GLU A 45 9.880 1.783 -8.855 1.00 0.00 C ATOM 669 O GLU A 45 8.712 2.126 -8.681 1.00 0.00 O ATOM 670 CB GLU A 45 11.727 3.092 -7.797 1.00 0.00 C ATOM 671 CG GLU A 45 12.565 3.253 -6.519 1.00 0.00 C ATOM 672 CD GLU A 45 13.810 2.377 -6.596 1.00 0.00 C ATOM 673 OE1 GLU A 45 13.927 1.631 -7.553 1.00 0.00 O ATOM 674 OE2 GLU A 45 14.625 2.461 -5.693 1.00 0.00 O ATOM 0 H GLU A 45 12.730 0.806 -7.594 1.00 0.00 H new ATOM 0 HA GLU A 45 10.351 1.814 -6.760 1.00 0.00 H new ATOM 0 HB2 GLU A 45 12.381 3.049 -8.668 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.078 3.958 -7.928 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.852 4.297 -6.392 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.970 2.978 -5.648 1.00 0.00 H new ATOM 681 N GLU A 46 10.347 1.380 -10.032 1.00 0.00 N ATOM 682 CA GLU A 46 9.489 1.318 -11.207 1.00 0.00 C ATOM 683 C GLU A 46 8.214 0.534 -10.907 1.00 0.00 C ATOM 684 O GLU A 46 7.108 1.049 -11.059 1.00 0.00 O ATOM 685 CB GLU A 46 10.247 0.649 -12.376 1.00 0.00 C ATOM 686 CG GLU A 46 11.752 0.877 -12.221 1.00 0.00 C ATOM 687 CD GLU A 46 12.477 0.446 -13.493 1.00 0.00 C ATOM 688 OE1 GLU A 46 11.802 0.074 -14.438 1.00 0.00 O ATOM 689 OE2 GLU A 46 13.695 0.497 -13.502 1.00 0.00 O ATOM 0 H GLU A 46 11.312 1.093 -10.196 1.00 0.00 H new ATOM 0 HA GLU A 46 9.214 2.335 -11.485 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.033 -0.420 -12.395 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.904 1.060 -13.325 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.950 1.929 -12.018 1.00 0.00 H new ATOM 0 HG3 GLU A 46 12.128 0.312 -11.368 1.00 0.00 H new ATOM 696 N GLU A 47 8.374 -0.712 -10.480 1.00 0.00 N ATOM 697 CA GLU A 47 7.217 -1.545 -10.169 1.00 0.00 C ATOM 698 C GLU A 47 6.371 -0.888 -9.090 1.00 0.00 C ATOM 699 O GLU A 47 5.144 -0.912 -9.156 1.00 0.00 O ATOM 700 CB GLU A 47 7.675 -2.936 -9.718 1.00 0.00 C ATOM 701 CG GLU A 47 8.190 -3.742 -10.922 1.00 0.00 C ATOM 702 CD GLU A 47 9.615 -3.319 -11.265 1.00 0.00 C ATOM 703 OE1 GLU A 47 10.091 -2.381 -10.651 1.00 0.00 O ATOM 704 OE2 GLU A 47 10.202 -3.935 -12.138 1.00 0.00 O ATOM 0 H GLU A 47 9.278 -1.164 -10.342 1.00 0.00 H new ATOM 0 HA GLU A 47 6.609 -1.653 -11.067 1.00 0.00 H new ATOM 0 HB2 GLU A 47 8.462 -2.843 -8.970 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.847 -3.464 -9.245 1.00 0.00 H new ATOM 0 HG2 GLU A 47 8.164 -4.808 -10.694 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.538 -3.583 -11.781 1.00 0.00 H new ATOM 711 N LEU A 48 7.024 -0.283 -8.107 1.00 0.00 N ATOM 712 CA LEU A 48 6.298 0.396 -7.041 1.00 0.00 C ATOM 713 C LEU A 48 5.480 1.546 -7.618 1.00 0.00 C ATOM 714 O LEU A 48 4.322 1.735 -7.258 1.00 0.00 O ATOM 715 CB LEU A 48 7.298 0.916 -5.991 1.00 0.00 C ATOM 716 CG LEU A 48 7.510 -0.128 -4.893 1.00 0.00 C ATOM 717 CD1 LEU A 48 8.033 -1.422 -5.508 1.00 0.00 C ATOM 718 CD2 LEU A 48 8.522 0.403 -3.881 1.00 0.00 C ATOM 0 H LEU A 48 8.040 -0.248 -8.025 1.00 0.00 H new ATOM 0 HA LEU A 48 5.614 -0.305 -6.562 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.249 1.148 -6.469 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.927 1.843 -5.554 1.00 0.00 H new ATOM 0 HG LEU A 48 6.562 -0.327 -4.393 1.00 0.00 H new ATOM 0 HD11 LEU A 48 8.183 -2.163 -4.723 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.310 -1.800 -6.231 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.981 -1.229 -6.010 1.00 0.00 H new ATOM 0 HD21 LEU A 48 8.676 -0.338 -3.097 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.469 0.602 -4.383 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.145 1.325 -3.439 1.00 0.00 H new ATOM 730 N GLN A 49 6.081 2.305 -8.521 1.00 0.00 N ATOM 731 CA GLN A 49 5.378 3.419 -9.137 1.00 0.00 C ATOM 732 C GLN A 49 4.343 2.902 -10.135 1.00 0.00 C ATOM 733 O GLN A 49 3.184 3.311 -10.103 1.00 0.00 O ATOM 734 CB GLN A 49 6.374 4.346 -9.839 1.00 0.00 C ATOM 735 CG GLN A 49 5.622 5.510 -10.486 1.00 0.00 C ATOM 736 CD GLN A 49 6.612 6.537 -11.022 1.00 0.00 C ATOM 737 OE1 GLN A 49 6.670 6.775 -12.228 1.00 0.00 O ATOM 738 NE2 GLN A 49 7.393 7.172 -10.192 1.00 0.00 N ATOM 0 H GLN A 49 7.041 2.173 -8.840 1.00 0.00 H new ATOM 0 HA GLN A 49 4.862 3.983 -8.360 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.102 4.724 -9.122 1.00 0.00 H new ATOM 0 HB3 GLN A 49 6.930 3.793 -10.596 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.993 5.142 -11.296 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.961 5.977 -9.756 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.344 6.974 -9.193 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.053 7.867 -10.542 1.00 0.00 H new ATOM 747 N ASP A 50 4.767 2.007 -11.024 1.00 0.00 N ATOM 748 CA ASP A 50 3.858 1.459 -12.024 1.00 0.00 C ATOM 749 C ASP A 50 2.704 0.721 -11.353 1.00 0.00 C ATOM 750 O ASP A 50 1.559 0.818 -11.793 1.00 0.00 O ATOM 751 CB ASP A 50 4.612 0.500 -12.951 1.00 0.00 C ATOM 752 CG ASP A 50 3.782 0.221 -14.200 1.00 0.00 C ATOM 753 OD1 ASP A 50 3.333 1.174 -14.816 1.00 0.00 O ATOM 754 OD2 ASP A 50 3.607 -0.943 -14.523 1.00 0.00 O ATOM 0 H ASP A 50 5.721 1.650 -11.072 1.00 0.00 H new ATOM 0 HA ASP A 50 3.454 2.285 -12.610 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.572 0.932 -13.232 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.823 -0.433 -12.429 1.00 0.00 H new ATOM 759 N MET A 51 3.004 0.007 -10.272 1.00 0.00 N ATOM 760 CA MET A 51 1.965 -0.712 -9.548 1.00 0.00 C ATOM 761 C MET A 51 1.020 0.285 -8.884 1.00 0.00 C ATOM 762 O MET A 51 -0.199 0.169 -8.998 1.00 0.00 O ATOM 763 CB MET A 51 2.583 -1.637 -8.495 1.00 0.00 C ATOM 764 CG MET A 51 1.472 -2.445 -7.780 1.00 0.00 C ATOM 765 SD MET A 51 2.012 -4.163 -7.566 1.00 0.00 S ATOM 766 CE MET A 51 2.104 -4.615 -9.323 1.00 0.00 C ATOM 0 H MET A 51 3.943 -0.088 -9.884 1.00 0.00 H new ATOM 0 HA MET A 51 1.404 -1.325 -10.253 1.00 0.00 H new ATOM 0 HB2 MET A 51 3.291 -2.317 -8.968 1.00 0.00 H new ATOM 0 HB3 MET A 51 3.142 -1.050 -7.767 1.00 0.00 H new ATOM 0 HG2 MET A 51 1.251 -1.999 -6.810 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.552 -2.412 -8.363 1.00 0.00 H new ATOM 0 HE1 MET A 51 1.773 -5.646 -9.451 1.00 0.00 H new ATOM 0 HE2 MET A 51 1.462 -3.953 -9.903 1.00 0.00 H new ATOM 0 HE3 MET A 51 3.133 -4.518 -9.670 1.00 0.00 H new ATOM 776 N ILE A 52 1.591 1.279 -8.209 1.00 0.00 N ATOM 777 CA ILE A 52 0.780 2.300 -7.563 1.00 0.00 C ATOM 778 C ILE A 52 0.009 3.086 -8.612 1.00 0.00 C ATOM 779 O ILE A 52 -1.182 3.345 -8.455 1.00 0.00 O ATOM 780 CB ILE A 52 1.659 3.241 -6.727 1.00 0.00 C ATOM 781 CG1 ILE A 52 2.161 2.492 -5.491 1.00 0.00 C ATOM 782 CG2 ILE A 52 0.846 4.466 -6.283 1.00 0.00 C ATOM 783 CD1 ILE A 52 3.267 3.308 -4.819 1.00 0.00 C ATOM 0 H ILE A 52 2.598 1.397 -8.097 1.00 0.00 H new ATOM 0 HA ILE A 52 0.072 1.813 -6.893 1.00 0.00 H new ATOM 0 HB ILE A 52 2.504 3.574 -7.330 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.340 2.327 -4.793 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.539 1.510 -5.775 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.478 5.127 -5.691 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.484 5.001 -7.161 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.003 4.141 -5.681 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.627 2.777 -3.938 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.091 3.450 -5.519 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.873 4.279 -4.521 1.00 0.00 H new ATOM 795 N SER A 53 0.690 3.451 -9.689 1.00 0.00 N ATOM 796 CA SER A 53 0.047 4.198 -10.756 1.00 0.00 C ATOM 797 C SER A 53 -1.122 3.401 -11.318 1.00 0.00 C ATOM 798 O SER A 53 -2.186 3.951 -11.594 1.00 0.00 O ATOM 799 CB SER A 53 1.054 4.501 -11.870 1.00 0.00 C ATOM 800 OG SER A 53 0.540 5.539 -12.695 1.00 0.00 O ATOM 0 H SER A 53 1.677 3.244 -9.845 1.00 0.00 H new ATOM 0 HA SER A 53 -0.325 5.139 -10.351 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.010 4.801 -11.441 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.238 3.606 -12.464 1.00 0.00 H new ATOM 0 HG SER A 53 1.182 5.738 -13.409 1.00 0.00 H new ATOM 806 N GLU A 54 -0.914 2.103 -11.494 1.00 0.00 N ATOM 807 CA GLU A 54 -1.958 1.243 -12.036 1.00 0.00 C ATOM 808 C GLU A 54 -3.290 1.477 -11.318 1.00 0.00 C ATOM 809 O GLU A 54 -4.354 1.350 -11.924 1.00 0.00 O ATOM 810 CB GLU A 54 -1.550 -0.236 -11.900 1.00 0.00 C ATOM 811 CG GLU A 54 -2.250 -1.074 -12.979 1.00 0.00 C ATOM 812 CD GLU A 54 -3.757 -1.060 -12.751 1.00 0.00 C ATOM 813 OE1 GLU A 54 -4.161 -1.037 -11.598 1.00 0.00 O ATOM 814 OE2 GLU A 54 -4.483 -1.065 -13.729 1.00 0.00 O ATOM 0 H GLU A 54 -0.040 1.626 -11.272 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.084 1.489 -13.090 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.469 -0.334 -11.996 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.817 -0.606 -10.910 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.019 -0.676 -13.967 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.879 -2.099 -12.953 1.00 0.00 H new ATOM 821 N VAL A 55 -3.232 1.809 -10.025 1.00 0.00 N ATOM 822 CA VAL A 55 -4.450 2.045 -9.238 1.00 0.00 C ATOM 823 C VAL A 55 -4.576 3.501 -8.817 1.00 0.00 C ATOM 824 O VAL A 55 -5.689 4.006 -8.670 1.00 0.00 O ATOM 825 CB VAL A 55 -4.446 1.164 -7.992 1.00 0.00 C ATOM 826 CG1 VAL A 55 -3.182 1.429 -7.176 1.00 0.00 C ATOM 827 CG2 VAL A 55 -5.682 1.467 -7.136 1.00 0.00 C ATOM 0 H VAL A 55 -2.363 1.920 -9.503 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.301 1.796 -9.872 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.467 0.118 -8.296 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.184 0.798 -6.287 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.304 1.202 -7.781 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.155 2.477 -6.877 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.673 0.835 -6.248 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.669 2.515 -6.836 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.584 1.267 -7.715 1.00 0.00 H new ATOM 837 N ASP A 56 -3.453 4.178 -8.614 1.00 0.00 N ATOM 838 CA ASP A 56 -3.513 5.572 -8.207 1.00 0.00 C ATOM 839 C ASP A 56 -4.213 6.367 -9.296 1.00 0.00 C ATOM 840 O ASP A 56 -3.575 6.995 -10.141 1.00 0.00 O ATOM 841 CB ASP A 56 -2.106 6.125 -7.950 1.00 0.00 C ATOM 842 CG ASP A 56 -2.176 7.391 -7.105 1.00 0.00 C ATOM 843 OD1 ASP A 56 -3.211 8.030 -7.116 1.00 0.00 O ATOM 844 OD2 ASP A 56 -1.188 7.703 -6.458 1.00 0.00 O ATOM 0 H ASP A 56 -2.514 3.796 -8.721 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.073 5.656 -7.275 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.501 5.374 -7.441 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.615 6.341 -8.899 1.00 0.00 H new ATOM 849 N ALA A 57 -5.538 6.315 -9.274 1.00 0.00 N ATOM 850 CA ALA A 57 -6.335 7.020 -10.270 1.00 0.00 C ATOM 851 C ALA A 57 -6.044 8.513 -10.223 1.00 0.00 C ATOM 852 O ALA A 57 -6.207 9.218 -11.217 1.00 0.00 O ATOM 853 CB ALA A 57 -7.828 6.790 -10.030 1.00 0.00 C ATOM 0 H ALA A 57 -6.081 5.796 -8.583 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.067 6.629 -11.252 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.404 7.325 -10.785 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.047 5.724 -10.094 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -8.098 7.157 -9.040 1.00 0.00 H new ATOM 859 N ASP A 58 -5.626 8.994 -9.056 1.00 0.00 N ATOM 860 CA ASP A 58 -5.327 10.415 -8.882 1.00 0.00 C ATOM 861 C ASP A 58 -3.833 10.701 -9.038 1.00 0.00 C ATOM 862 O ASP A 58 -3.442 11.831 -9.325 1.00 0.00 O ATOM 863 CB ASP A 58 -5.785 10.859 -7.494 1.00 0.00 C ATOM 864 CG ASP A 58 -5.170 9.956 -6.433 1.00 0.00 C ATOM 865 OD1 ASP A 58 -3.977 10.070 -6.205 1.00 0.00 O ATOM 866 OD2 ASP A 58 -5.900 9.160 -5.867 1.00 0.00 O ATOM 0 H ASP A 58 -5.487 8.426 -8.220 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.858 10.970 -9.655 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.491 11.894 -7.318 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.872 10.821 -7.431 1.00 0.00 H new ATOM 871 N GLY A 59 -3.000 9.681 -8.850 1.00 0.00 N ATOM 872 CA GLY A 59 -1.557 9.861 -8.975 1.00 0.00 C ATOM 873 C GLY A 59 -1.017 10.780 -7.880 1.00 0.00 C ATOM 874 O GLY A 59 -0.162 11.627 -8.139 1.00 0.00 O ATOM 0 H GLY A 59 -3.294 8.733 -8.614 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.061 8.892 -8.917 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.324 10.281 -9.953 1.00 0.00 H new ATOM 878 N ASN A 60 -1.521 10.621 -6.655 1.00 0.00 N ATOM 879 CA ASN A 60 -1.072 11.463 -5.543 1.00 0.00 C ATOM 880 C ASN A 60 0.226 10.941 -4.933 1.00 0.00 C ATOM 881 O ASN A 60 0.905 11.664 -4.205 1.00 0.00 O ATOM 882 CB ASN A 60 -2.141 11.518 -4.454 1.00 0.00 C ATOM 883 CG ASN A 60 -2.445 10.111 -3.956 1.00 0.00 C ATOM 884 OD1 ASN A 60 -1.868 9.141 -4.448 1.00 0.00 O ATOM 885 ND2 ASN A 60 -3.315 9.938 -3.000 1.00 0.00 N ATOM 0 H ASN A 60 -2.229 9.929 -6.409 1.00 0.00 H new ATOM 0 HA ASN A 60 -0.895 12.461 -5.944 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.799 12.140 -3.627 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.048 11.979 -4.845 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.518 8.998 -2.659 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.792 10.742 -2.593 1.00 0.00 H new ATOM 892 N GLY A 61 0.570 9.684 -5.216 1.00 0.00 N ATOM 893 CA GLY A 61 1.793 9.091 -4.666 1.00 0.00 C ATOM 894 C GLY A 61 1.483 8.271 -3.415 1.00 0.00 C ATOM 895 O GLY A 61 2.386 7.756 -2.756 1.00 0.00 O ATOM 0 H GLY A 61 0.028 9.062 -5.815 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.263 8.455 -5.416 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.507 9.878 -4.423 1.00 0.00 H new ATOM 899 N THR A 62 0.194 8.153 -3.101 1.00 0.00 N ATOM 900 CA THR A 62 -0.262 7.391 -1.936 1.00 0.00 C ATOM 901 C THR A 62 -1.456 6.523 -2.316 1.00 0.00 C ATOM 902 O THR A 62 -2.075 6.729 -3.362 1.00 0.00 O ATOM 903 CB THR A 62 -0.663 8.348 -0.810 1.00 0.00 C ATOM 904 OG1 THR A 62 -1.795 9.106 -1.216 1.00 0.00 O ATOM 905 CG2 THR A 62 0.499 9.291 -0.493 1.00 0.00 C ATOM 0 H THR A 62 -0.560 8.578 -3.641 1.00 0.00 H new ATOM 0 HA THR A 62 0.552 6.752 -1.593 1.00 0.00 H new ATOM 0 HB THR A 62 -0.910 7.773 0.082 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.054 9.718 -0.496 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.208 9.970 0.309 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.365 8.708 -0.179 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.753 9.868 -1.382 1.00 0.00 H new ATOM 913 N ILE A 63 -1.789 5.560 -1.456 1.00 0.00 N ATOM 914 CA ILE A 63 -2.927 4.667 -1.703 1.00 0.00 C ATOM 915 C ILE A 63 -3.977 4.862 -0.613 1.00 0.00 C ATOM 916 O ILE A 63 -3.667 4.779 0.580 1.00 0.00 O ATOM 917 CB ILE A 63 -2.462 3.203 -1.703 1.00 0.00 C ATOM 918 CG1 ILE A 63 -1.162 3.073 -2.500 1.00 0.00 C ATOM 919 CG2 ILE A 63 -3.535 2.323 -2.354 1.00 0.00 C ATOM 920 CD1 ILE A 63 -0.728 1.605 -2.527 1.00 0.00 C ATOM 0 H ILE A 63 -1.291 5.377 -0.585 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.357 4.906 -2.676 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.295 2.883 -0.674 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.307 3.440 -3.516 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.382 3.686 -2.048 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.204 1.285 -2.353 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -4.465 2.407 -1.792 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.700 2.650 -3.380 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.198 1.510 -3.094 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.567 1.254 -1.508 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.506 1.004 -2.998 1.00 0.00 H new ATOM 932 N GLU A 64 -5.218 5.123 -1.022 1.00 0.00 N ATOM 933 CA GLU A 64 -6.311 5.327 -0.070 1.00 0.00 C ATOM 934 C GLU A 64 -7.063 4.019 0.166 1.00 0.00 C ATOM 935 O GLU A 64 -6.825 3.027 -0.524 1.00 0.00 O ATOM 936 CB GLU A 64 -7.273 6.399 -0.595 1.00 0.00 C ATOM 937 CG GLU A 64 -6.595 7.771 -0.532 1.00 0.00 C ATOM 938 CD GLU A 64 -7.514 8.834 -1.126 1.00 0.00 C ATOM 939 OE1 GLU A 64 -8.588 8.475 -1.579 1.00 0.00 O ATOM 940 OE2 GLU A 64 -7.128 9.991 -1.122 1.00 0.00 O ATOM 0 H GLU A 64 -5.492 5.198 -2.002 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.889 5.662 0.877 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.562 6.172 -1.621 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.186 6.406 -0.000 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.357 8.021 0.502 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.653 7.746 -1.079 1.00 0.00 H new ATOM 947 N PHE A 65 -7.952 4.014 1.154 1.00 0.00 N ATOM 948 CA PHE A 65 -8.703 2.801 1.469 1.00 0.00 C ATOM 949 C PHE A 65 -9.462 2.303 0.242 1.00 0.00 C ATOM 950 O PHE A 65 -9.360 1.131 -0.118 1.00 0.00 O ATOM 951 CB PHE A 65 -9.686 3.070 2.614 1.00 0.00 C ATOM 952 CG PHE A 65 -10.597 1.873 2.809 1.00 0.00 C ATOM 953 CD1 PHE A 65 -10.056 0.631 3.172 1.00 0.00 C ATOM 954 CD2 PHE A 65 -11.980 2.003 2.620 1.00 0.00 C ATOM 955 CE1 PHE A 65 -10.899 -0.474 3.350 1.00 0.00 C ATOM 956 CE2 PHE A 65 -12.819 0.896 2.799 1.00 0.00 C ATOM 957 CZ PHE A 65 -12.279 -0.341 3.161 1.00 0.00 C ATOM 0 H PHE A 65 -8.169 4.819 1.741 1.00 0.00 H new ATOM 0 HA PHE A 65 -7.996 2.031 1.778 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -9.138 3.274 3.534 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -10.280 3.957 2.393 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -8.991 0.526 3.314 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -12.399 2.957 2.336 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -10.483 -1.430 3.633 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -13.885 0.998 2.657 1.00 0.00 H new ATOM 0 HZ PHE A 65 -12.927 -1.195 3.295 1.00 0.00 H new ATOM 967 N ASP A 66 -10.227 3.183 -0.395 1.00 0.00 N ATOM 968 CA ASP A 66 -10.991 2.785 -1.570 1.00 0.00 C ATOM 969 C ASP A 66 -10.053 2.310 -2.672 1.00 0.00 C ATOM 970 O ASP A 66 -10.317 1.310 -3.339 1.00 0.00 O ATOM 971 CB ASP A 66 -11.823 3.964 -2.079 1.00 0.00 C ATOM 972 CG ASP A 66 -12.976 4.242 -1.121 1.00 0.00 C ATOM 973 OD1 ASP A 66 -13.154 3.465 -0.197 1.00 0.00 O ATOM 974 OD2 ASP A 66 -13.659 5.233 -1.319 1.00 0.00 O ATOM 0 H ASP A 66 -10.334 4.160 -0.123 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.657 1.968 -1.291 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -11.195 4.850 -2.171 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -12.211 3.743 -3.073 1.00 0.00 H new ATOM 979 N GLU A 67 -8.954 3.029 -2.852 1.00 0.00 N ATOM 980 CA GLU A 67 -7.980 2.660 -3.869 1.00 0.00 C ATOM 981 C GLU A 67 -7.351 1.314 -3.529 1.00 0.00 C ATOM 982 O GLU A 67 -7.223 0.442 -4.388 1.00 0.00 O ATOM 983 CB GLU A 67 -6.895 3.733 -3.956 1.00 0.00 C ATOM 984 CG GLU A 67 -7.501 5.027 -4.507 1.00 0.00 C ATOM 985 CD GLU A 67 -6.460 6.139 -4.483 1.00 0.00 C ATOM 986 OE1 GLU A 67 -5.745 6.227 -3.499 1.00 0.00 O ATOM 987 OE2 GLU A 67 -6.394 6.887 -5.444 1.00 0.00 O ATOM 0 H GLU A 67 -8.716 3.862 -2.314 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.485 2.579 -4.832 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.465 3.911 -2.971 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.084 3.395 -4.601 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.853 4.869 -5.526 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.367 5.315 -3.912 1.00 0.00 H new ATOM 994 N PHE A 68 -6.979 1.146 -2.266 1.00 0.00 N ATOM 995 CA PHE A 68 -6.380 -0.102 -1.813 1.00 0.00 C ATOM 996 C PHE A 68 -7.357 -1.258 -1.975 1.00 0.00 C ATOM 997 O PHE A 68 -6.976 -2.354 -2.389 1.00 0.00 O ATOM 998 CB PHE A 68 -5.954 0.007 -0.350 1.00 0.00 C ATOM 999 CG PHE A 68 -5.287 -1.282 0.077 1.00 0.00 C ATOM 1000 CD1 PHE A 68 -3.972 -1.553 -0.317 1.00 0.00 C ATOM 1001 CD2 PHE A 68 -5.982 -2.204 0.871 1.00 0.00 C ATOM 1002 CE1 PHE A 68 -3.350 -2.742 0.084 1.00 0.00 C ATOM 1003 CE2 PHE A 68 -5.360 -3.392 1.273 1.00 0.00 C ATOM 1004 CZ PHE A 68 -4.044 -3.662 0.876 1.00 0.00 C ATOM 0 H PHE A 68 -7.081 1.855 -1.540 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.500 -0.294 -2.427 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.268 0.844 -0.221 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.822 0.206 0.279 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.436 -0.844 -0.931 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.998 -1.998 1.173 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.334 -2.948 -0.219 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.895 -4.100 1.889 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.565 -4.581 1.182 1.00 0.00 H new ATOM 1014 N LEU A 69 -8.623 -1.014 -1.651 1.00 0.00 N ATOM 1015 CA LEU A 69 -9.644 -2.042 -1.773 1.00 0.00 C ATOM 1016 C LEU A 69 -9.816 -2.467 -3.227 1.00 0.00 C ATOM 1017 O LEU A 69 -9.938 -3.656 -3.530 1.00 0.00 O ATOM 1018 CB LEU A 69 -10.977 -1.512 -1.212 1.00 0.00 C ATOM 1019 CG LEU A 69 -12.141 -2.478 -1.565 1.00 0.00 C ATOM 1020 CD1 LEU A 69 -13.103 -2.605 -0.373 1.00 0.00 C ATOM 1021 CD2 LEU A 69 -12.913 -1.946 -2.785 1.00 0.00 C ATOM 0 H LEU A 69 -8.963 -0.117 -1.304 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.332 -2.916 -1.201 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.904 -1.402 -0.130 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.182 -0.522 -1.620 1.00 0.00 H new ATOM 0 HG LEU A 69 -11.722 -3.457 -1.797 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.915 -3.285 -0.632 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -12.564 -2.996 0.490 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.513 -1.625 -0.131 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -13.728 -2.629 -3.026 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -13.321 -0.961 -2.556 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -12.238 -1.870 -3.638 1.00 0.00 H new ATOM 1033 N SER A 70 -9.806 -1.492 -4.128 1.00 0.00 N ATOM 1034 CA SER A 70 -9.951 -1.788 -5.545 1.00 0.00 C ATOM 1035 C SER A 70 -8.798 -2.663 -6.021 1.00 0.00 C ATOM 1036 O SER A 70 -9.004 -3.621 -6.762 1.00 0.00 O ATOM 1037 CB SER A 70 -9.983 -0.492 -6.360 1.00 0.00 C ATOM 1038 OG SER A 70 -8.701 0.120 -6.319 1.00 0.00 O ATOM 0 H SER A 70 -9.700 -0.502 -3.905 1.00 0.00 H new ATOM 0 HA SER A 70 -10.890 -2.322 -5.690 1.00 0.00 H new ATOM 0 HB2 SER A 70 -10.265 -0.704 -7.391 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.735 0.186 -5.957 1.00 0.00 H new ATOM 0 HG SER A 70 -8.393 0.172 -5.390 1.00 0.00 H new ATOM 1044 N LEU A 71 -7.587 -2.327 -5.593 1.00 0.00 N ATOM 1045 CA LEU A 71 -6.407 -3.086 -5.992 1.00 0.00 C ATOM 1046 C LEU A 71 -6.504 -4.526 -5.511 1.00 0.00 C ATOM 1047 O LEU A 71 -6.126 -5.460 -6.223 1.00 0.00 O ATOM 1048 CB LEU A 71 -5.140 -2.438 -5.405 1.00 0.00 C ATOM 1049 CG LEU A 71 -3.881 -3.214 -5.831 1.00 0.00 C ATOM 1050 CD1 LEU A 71 -3.788 -3.287 -7.364 1.00 0.00 C ATOM 1051 CD2 LEU A 71 -2.641 -2.501 -5.279 1.00 0.00 C ATOM 0 H LEU A 71 -7.396 -1.539 -4.974 1.00 0.00 H new ATOM 0 HA LEU A 71 -6.351 -3.080 -7.081 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.066 -1.404 -5.741 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.208 -2.416 -4.317 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.937 -4.228 -5.435 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.892 -3.839 -7.648 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.668 -3.796 -7.758 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.738 -2.278 -7.774 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.745 -3.046 -5.577 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.598 -1.487 -5.676 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.697 -2.463 -4.191 1.00 0.00 H new ATOM 1063 N MET A 72 -7.021 -4.712 -4.300 1.00 0.00 N ATOM 1064 CA MET A 72 -7.161 -6.060 -3.758 1.00 0.00 C ATOM 1065 C MET A 72 -8.084 -6.887 -4.647 1.00 0.00 C ATOM 1066 O MET A 72 -7.738 -7.995 -5.053 1.00 0.00 O ATOM 1067 CB MET A 72 -7.731 -5.996 -2.326 1.00 0.00 C ATOM 1068 CG MET A 72 -6.631 -5.604 -1.330 1.00 0.00 C ATOM 1069 SD MET A 72 -7.220 -5.884 0.362 1.00 0.00 S ATOM 1070 CE MET A 72 -6.666 -7.602 0.513 1.00 0.00 C ATOM 0 H MET A 72 -7.344 -3.964 -3.686 1.00 0.00 H new ATOM 0 HA MET A 72 -6.179 -6.532 -3.729 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.544 -5.271 -2.283 1.00 0.00 H new ATOM 0 HB3 MET A 72 -8.151 -6.963 -2.051 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.732 -6.191 -1.515 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.361 -4.557 -1.464 1.00 0.00 H new ATOM 0 HE1 MET A 72 -6.977 -8.001 1.478 1.00 0.00 H new ATOM 0 HE2 MET A 72 -7.107 -8.198 -0.286 1.00 0.00 H new ATOM 0 HE3 MET A 72 -5.579 -7.642 0.438 1.00 0.00 H new ATOM 1080 N ALA A 73 -9.248 -6.334 -4.972 1.00 0.00 N ATOM 1081 CA ALA A 73 -10.186 -7.036 -5.839 1.00 0.00 C ATOM 1082 C ALA A 73 -9.603 -7.172 -7.249 1.00 0.00 C ATOM 1083 O ALA A 73 -9.951 -8.093 -7.984 1.00 0.00 O ATOM 1084 CB ALA A 73 -11.517 -6.282 -5.899 1.00 0.00 C ATOM 0 H ALA A 73 -9.561 -5.417 -4.654 1.00 0.00 H new ATOM 0 HA ALA A 73 -10.360 -8.031 -5.429 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.209 -6.817 -6.550 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.941 -6.212 -4.897 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.350 -5.279 -6.293 1.00 0.00 H new