USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 420 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 20 THR OG1 : rot 72:sc= 0.736 USER MOD Set 1.2: A 51 TYR OH : rot 44:sc= 0.0448 USER MOD Single : A 11 THR OG1 : rot -154:sc= -2.41! USER MOD Single : A 14 GLN : amide:sc= -1.69! C(o=-1.7!,f=-6.6!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -0.848 K(o=-0.85,f=-7.7!) USER MOD Single : A 22 SER OG : rot 80:sc= 1.09 USER MOD Single : A 24 LYS NZ :NH3+ -147:sc= 1.14 (180deg=0.153) USER MOD Single : A 25 LYS NZ :NH3+ 172:sc= -0.0111 (180deg=-0.0906) USER MOD Single : A 30 THR OG1 : rot -68:sc= 1.11 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -144:sc= -0.215 (180deg=-1.68!) USER MOD Single : A 39 SER OG : rot -23:sc= 0.0447 USER MOD Single : A 40 SER OG : rot -76:sc= 0.83 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0.367 K(o=0.37,f=-7.2!) USER MOD Single : A 48 MET CE :methyl 168:sc= -3.14! (180deg=-3.65!) USER MOD Single : A 52 TYR OH : rot 83:sc= 0.225 USER MOD Single : A 58 GLN : amide:sc= -0.233 K(o=-0.23,f=-0.8) USER MOD ----------------------------------------------------------------- ATOM 139 N LEU A 10 -9.784 8.534 4.585 1.00 0.00 N ATOM 140 CA LEU A 10 -10.380 8.058 3.377 1.00 0.00 C ATOM 141 C LEU A 10 -11.149 6.805 3.638 1.00 0.00 C ATOM 142 O LEU A 10 -11.149 6.294 4.758 1.00 0.00 O ATOM 143 CB LEU A 10 -9.329 7.794 2.275 1.00 0.00 C ATOM 144 CG LEU A 10 -8.039 8.626 2.258 1.00 0.00 C ATOM 145 CD1 LEU A 10 -7.068 8.146 3.331 1.00 0.00 C ATOM 146 CD2 LEU A 10 -7.391 8.552 0.896 1.00 0.00 C ATOM 0 HA LEU A 10 -11.052 8.839 3.022 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.042 6.744 2.340 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.821 7.931 1.312 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.297 9.663 2.472 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.162 8.751 3.299 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.533 8.242 4.312 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.813 7.102 3.150 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.477 9.146 0.895 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.150 7.515 0.664 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.078 8.942 0.145 1.00 0.00 H new ATOM 158 N THR A 11 -11.772 6.291 2.624 1.00 0.00 N ATOM 159 CA THR A 11 -12.551 5.109 2.768 1.00 0.00 C ATOM 160 C THR A 11 -11.719 3.940 2.324 1.00 0.00 C ATOM 161 O THR A 11 -10.589 4.135 1.856 1.00 0.00 O ATOM 162 CB THR A 11 -13.839 5.184 1.931 1.00 0.00 C ATOM 163 OG1 THR A 11 -13.489 5.194 0.541 1.00 0.00 O ATOM 164 CG2 THR A 11 -14.596 6.463 2.239 1.00 0.00 C ATOM 0 H THR A 11 -11.753 6.678 1.681 1.00 0.00 H new ATOM 0 HA THR A 11 -12.844 4.997 3.812 1.00 0.00 H new ATOM 0 HB THR A 11 -14.465 4.324 2.170 1.00 0.00 H new ATOM 0 HG1 THR A 11 -14.196 5.640 0.029 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.505 6.501 1.639 1.00 0.00 H new ATOM 0 HG22 THR A 11 -14.858 6.485 3.297 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.969 7.323 2.003 1.00 0.00 H new ATOM 172 N PHE A 12 -12.261 2.753 2.435 1.00 0.00 N ATOM 173 CA PHE A 12 -11.538 1.569 2.053 1.00 0.00 C ATOM 174 C PHE A 12 -11.201 1.604 0.567 1.00 0.00 C ATOM 175 O PHE A 12 -10.091 1.301 0.131 1.00 0.00 O ATOM 176 CB PHE A 12 -12.326 0.302 2.422 1.00 0.00 C ATOM 177 CG PHE A 12 -11.659 -0.974 2.001 1.00 0.00 C ATOM 178 CD1 PHE A 12 -12.300 -1.867 1.159 1.00 0.00 C ATOM 179 CD2 PHE A 12 -10.386 -1.268 2.431 1.00 0.00 C ATOM 180 CE1 PHE A 12 -11.673 -3.033 0.765 1.00 0.00 C ATOM 181 CE2 PHE A 12 -9.760 -2.424 2.042 1.00 0.00 C ATOM 182 CZ PHE A 12 -10.397 -3.309 1.211 1.00 0.00 C ATOM 0 H PHE A 12 -13.203 2.582 2.788 1.00 0.00 H new ATOM 0 HA PHE A 12 -10.600 1.544 2.608 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -12.478 0.282 3.501 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -13.313 0.353 1.962 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -13.298 -1.650 0.808 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -9.872 -0.578 3.084 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -12.180 -3.726 0.110 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -8.761 -2.638 2.392 1.00 0.00 H new ATOM 0 HZ PHE A 12 -9.902 -4.219 0.907 1.00 0.00 H new ATOM 192 N ASP A 13 -12.184 2.085 -0.166 1.00 0.00 N ATOM 193 CA ASP A 13 -12.080 2.262 -1.607 1.00 0.00 C ATOM 194 C ASP A 13 -11.024 3.295 -1.942 1.00 0.00 C ATOM 195 O ASP A 13 -10.208 3.104 -2.849 1.00 0.00 O ATOM 196 CB ASP A 13 -13.403 2.714 -2.183 1.00 0.00 C ATOM 197 CG ASP A 13 -13.549 2.357 -3.645 1.00 0.00 C ATOM 198 OD1 ASP A 13 -14.240 1.372 -3.959 1.00 0.00 O ATOM 199 OD2 ASP A 13 -12.971 3.030 -4.504 1.00 0.00 O ATOM 0 H ASP A 13 -13.085 2.367 0.220 1.00 0.00 H new ATOM 0 HA ASP A 13 -11.801 1.302 -2.041 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -14.216 2.259 -1.618 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -13.498 3.793 -2.064 1.00 0.00 H new ATOM 204 N GLN A 14 -10.993 4.354 -1.152 1.00 0.00 N ATOM 205 CA GLN A 14 -10.100 5.452 -1.425 1.00 0.00 C ATOM 206 C GLN A 14 -8.673 5.073 -1.062 1.00 0.00 C ATOM 207 O GLN A 14 -7.723 5.455 -1.734 1.00 0.00 O ATOM 208 CB GLN A 14 -10.512 6.732 -0.717 1.00 0.00 C ATOM 209 CG GLN A 14 -11.897 7.253 -1.023 1.00 0.00 C ATOM 210 CD GLN A 14 -12.104 7.602 -2.466 1.00 0.00 C ATOM 211 OE1 GLN A 14 -11.546 6.996 -3.371 1.00 0.00 O ATOM 212 NE2 GLN A 14 -12.871 8.583 -2.699 1.00 0.00 N ATOM 0 H GLN A 14 -11.575 4.471 -0.322 1.00 0.00 H new ATOM 0 HA GLN A 14 -10.157 5.654 -2.495 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -10.439 6.567 0.358 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -9.791 7.509 -0.970 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -12.631 6.502 -0.731 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -12.086 8.137 -0.414 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -13.324 9.071 -1.926 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -13.036 8.885 -3.659 1.00 0.00 H new ATOM 221 N VAL A 15 -8.539 4.314 0.018 1.00 0.00 N ATOM 222 CA VAL A 15 -7.243 3.913 0.513 1.00 0.00 C ATOM 223 C VAL A 15 -6.664 2.943 -0.452 1.00 0.00 C ATOM 224 O VAL A 15 -5.464 2.966 -0.739 1.00 0.00 O ATOM 225 CB VAL A 15 -7.281 3.322 1.948 1.00 0.00 C ATOM 226 CG1 VAL A 15 -5.942 2.703 2.277 1.00 0.00 C ATOM 227 CG2 VAL A 15 -7.552 4.418 2.955 1.00 0.00 C ATOM 0 H VAL A 15 -9.324 3.965 0.567 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.617 4.802 0.593 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.070 2.571 1.992 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.970 2.289 3.285 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.724 1.908 1.564 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.165 3.465 2.220 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.577 3.992 3.958 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.763 5.168 2.898 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.512 4.885 2.735 1.00 0.00 H new ATOM 237 N LYS A 16 -7.504 2.106 -0.975 1.00 0.00 N ATOM 238 CA LYS A 16 -7.114 1.211 -1.994 1.00 0.00 C ATOM 239 C LYS A 16 -6.532 1.964 -3.162 1.00 0.00 C ATOM 240 O LYS A 16 -5.526 1.553 -3.702 1.00 0.00 O ATOM 241 CB LYS A 16 -8.275 0.336 -2.429 1.00 0.00 C ATOM 242 CG LYS A 16 -8.550 -0.859 -1.517 1.00 0.00 C ATOM 243 CD LYS A 16 -9.502 -1.863 -2.164 1.00 0.00 C ATOM 244 CE LYS A 16 -10.874 -1.276 -2.443 1.00 0.00 C ATOM 245 NZ LYS A 16 -11.722 -2.209 -3.202 1.00 0.00 N ATOM 0 H LYS A 16 -8.483 2.032 -0.699 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.342 0.554 -1.594 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.174 0.949 -2.483 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.079 -0.031 -3.436 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.610 -1.355 -1.275 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.977 -0.508 -0.577 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.067 -2.219 -3.098 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.608 -2.729 -1.511 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.361 -1.026 -1.501 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.765 -0.347 -3.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.651 -1.773 -3.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.269 -2.428 -4.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -11.847 -3.086 -2.658 1.00 0.00 H new ATOM 259 N GLU A 17 -7.135 3.078 -3.527 1.00 0.00 N ATOM 260 CA GLU A 17 -6.571 3.915 -4.553 1.00 0.00 C ATOM 261 C GLU A 17 -5.227 4.524 -4.167 1.00 0.00 C ATOM 262 O GLU A 17 -4.355 4.656 -5.020 1.00 0.00 O ATOM 263 CB GLU A 17 -7.512 4.994 -5.060 1.00 0.00 C ATOM 264 CG GLU A 17 -8.629 4.483 -5.940 1.00 0.00 C ATOM 265 CD GLU A 17 -9.229 5.597 -6.746 1.00 0.00 C ATOM 266 OE1 GLU A 17 -10.441 5.868 -6.630 1.00 0.00 O ATOM 267 OE2 GLU A 17 -8.477 6.248 -7.507 1.00 0.00 O ATOM 0 H GLU A 17 -8.010 3.418 -3.128 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.401 3.225 -5.379 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.947 5.511 -4.205 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.934 5.731 -5.618 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.247 3.711 -6.608 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.399 4.019 -5.324 1.00 0.00 H new ATOM 274 N GLN A 18 -5.013 4.843 -2.871 1.00 0.00 N ATOM 275 CA GLN A 18 -3.792 5.535 -2.469 1.00 0.00 C ATOM 276 C GLN A 18 -2.640 4.595 -2.596 1.00 0.00 C ATOM 277 O GLN A 18 -1.581 4.921 -3.155 1.00 0.00 O ATOM 278 CB GLN A 18 -3.911 6.203 -1.082 1.00 0.00 C ATOM 279 CG GLN A 18 -3.792 5.306 0.122 1.00 0.00 C ATOM 280 CD GLN A 18 -3.797 6.076 1.420 1.00 0.00 C ATOM 281 OE1 GLN A 18 -3.214 5.656 2.398 1.00 0.00 O ATOM 282 NE2 GLN A 18 -4.432 7.209 1.436 1.00 0.00 N ATOM 0 H GLN A 18 -5.659 4.634 -2.110 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.615 6.374 -3.141 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.141 6.971 -1.009 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.874 6.711 -1.032 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.617 4.593 0.123 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.871 4.727 0.050 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -4.913 7.536 0.598 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -4.450 7.772 2.287 1.00 0.00 H new ATOM 291 N LEU A 19 -2.866 3.436 -2.083 1.00 0.00 N ATOM 292 CA LEU A 19 -1.933 2.381 -2.083 1.00 0.00 C ATOM 293 C LEU A 19 -1.666 1.891 -3.486 1.00 0.00 C ATOM 294 O LEU A 19 -0.523 1.620 -3.847 1.00 0.00 O ATOM 295 CB LEU A 19 -2.461 1.298 -1.221 1.00 0.00 C ATOM 296 CG LEU A 19 -2.369 1.499 0.293 1.00 0.00 C ATOM 297 CD1 LEU A 19 -3.009 0.342 1.005 1.00 0.00 C ATOM 298 CD2 LEU A 19 -0.921 1.663 0.745 1.00 0.00 C ATOM 0 H LEU A 19 -3.749 3.194 -1.633 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.978 2.729 -1.689 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.509 1.143 -1.478 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.932 0.379 -1.472 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.903 2.415 0.546 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.939 0.494 2.082 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.058 0.272 0.716 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.496 -0.581 0.734 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.891 1.804 1.825 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.354 0.771 0.479 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.483 2.532 0.254 1.00 0.00 H new ATOM 310 N THR A 20 -2.721 1.852 -4.284 1.00 0.00 N ATOM 311 CA THR A 20 -2.609 1.484 -5.674 1.00 0.00 C ATOM 312 C THR A 20 -1.672 2.432 -6.373 1.00 0.00 C ATOM 313 O THR A 20 -0.676 2.012 -6.909 1.00 0.00 O ATOM 314 CB THR A 20 -3.996 1.510 -6.375 1.00 0.00 C ATOM 315 OG1 THR A 20 -4.790 0.413 -5.944 1.00 0.00 O ATOM 316 CG2 THR A 20 -3.897 1.535 -7.897 1.00 0.00 C ATOM 0 H THR A 20 -3.670 2.074 -3.983 1.00 0.00 H new ATOM 0 HA THR A 20 -2.218 0.468 -5.728 1.00 0.00 H new ATOM 0 HB THR A 20 -4.477 2.443 -6.081 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.086 0.565 -5.022 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.899 1.552 -8.327 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.352 2.425 -8.212 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.370 0.646 -8.242 1.00 0.00 H new ATOM 324 N GLU A 21 -1.932 3.709 -6.229 1.00 0.00 N ATOM 325 CA GLU A 21 -1.208 4.757 -6.929 1.00 0.00 C ATOM 326 C GLU A 21 0.270 4.713 -6.554 1.00 0.00 C ATOM 327 O GLU A 21 1.158 4.732 -7.405 1.00 0.00 O ATOM 328 CB GLU A 21 -1.831 6.082 -6.514 1.00 0.00 C ATOM 329 CG GLU A 21 -1.299 7.313 -7.214 1.00 0.00 C ATOM 330 CD GLU A 21 -1.649 7.326 -8.668 1.00 0.00 C ATOM 331 OE1 GLU A 21 -2.801 7.662 -9.008 1.00 0.00 O ATOM 332 OE2 GLU A 21 -0.794 7.018 -9.498 1.00 0.00 O ATOM 0 H GLU A 21 -2.664 4.061 -5.613 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.274 4.627 -8.009 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.906 6.026 -6.687 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.687 6.208 -5.441 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.703 8.205 -6.736 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.216 7.354 -7.102 1.00 0.00 H new ATOM 339 N SER A 22 0.491 4.579 -5.280 1.00 0.00 N ATOM 340 CA SER A 22 1.824 4.546 -4.719 1.00 0.00 C ATOM 341 C SER A 22 2.580 3.316 -5.215 1.00 0.00 C ATOM 342 O SER A 22 3.726 3.418 -5.679 1.00 0.00 O ATOM 343 CB SER A 22 1.748 4.572 -3.197 1.00 0.00 C ATOM 344 OG SER A 22 1.050 5.739 -2.748 1.00 0.00 O ATOM 0 H SER A 22 -0.252 4.488 -4.587 1.00 0.00 H new ATOM 0 HA SER A 22 2.373 5.428 -5.048 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.240 3.677 -2.837 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.754 4.559 -2.777 1.00 0.00 H new ATOM 0 HG SER A 22 0.084 5.597 -2.836 1.00 0.00 H new ATOM 350 N GLY A 23 1.917 2.171 -5.173 1.00 0.00 N ATOM 351 CA GLY A 23 2.492 0.943 -5.635 1.00 0.00 C ATOM 352 C GLY A 23 2.760 0.975 -7.110 1.00 0.00 C ATOM 353 O GLY A 23 3.746 0.452 -7.563 1.00 0.00 O ATOM 0 H GLY A 23 0.966 2.080 -4.816 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.423 0.753 -5.100 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.819 0.117 -5.406 1.00 0.00 H new ATOM 357 N LYS A 24 1.868 1.615 -7.836 1.00 0.00 N ATOM 358 CA LYS A 24 1.988 1.775 -9.282 1.00 0.00 C ATOM 359 C LYS A 24 3.204 2.597 -9.657 1.00 0.00 C ATOM 360 O LYS A 24 3.873 2.312 -10.655 1.00 0.00 O ATOM 361 CB LYS A 24 0.738 2.417 -9.846 1.00 0.00 C ATOM 362 CG LYS A 24 -0.516 1.549 -9.756 1.00 0.00 C ATOM 363 CD LYS A 24 -0.576 0.416 -10.785 1.00 0.00 C ATOM 364 CE LYS A 24 -0.461 0.934 -12.213 1.00 0.00 C ATOM 365 NZ LYS A 24 -0.602 -0.123 -13.234 1.00 0.00 N ATOM 0 H LYS A 24 1.031 2.044 -7.443 1.00 0.00 H new ATOM 0 HA LYS A 24 2.110 0.781 -9.712 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.555 3.353 -9.318 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.915 2.670 -10.891 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.574 1.119 -8.756 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.393 2.184 -9.882 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.229 -0.293 -10.591 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.514 -0.128 -10.671 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.225 1.693 -12.379 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.505 1.422 -12.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.006 0.106 -14.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.304 -1.035 -12.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.596 -0.185 -13.534 1.00 0.00 H new ATOM 379 N LYS A 25 3.516 3.595 -8.848 1.00 0.00 N ATOM 380 CA LYS A 25 4.641 4.467 -9.098 1.00 0.00 C ATOM 381 C LYS A 25 5.929 3.748 -8.820 1.00 0.00 C ATOM 382 O LYS A 25 6.893 3.863 -9.563 1.00 0.00 O ATOM 383 CB LYS A 25 4.552 5.718 -8.220 1.00 0.00 C ATOM 384 CG LYS A 25 3.386 6.641 -8.548 1.00 0.00 C ATOM 385 CD LYS A 25 3.281 7.804 -7.556 1.00 0.00 C ATOM 386 CE LYS A 25 4.518 8.702 -7.566 1.00 0.00 C ATOM 387 NZ LYS A 25 4.768 9.307 -8.897 1.00 0.00 N ATOM 0 H LYS A 25 2.994 3.820 -8.001 1.00 0.00 H new ATOM 0 HA LYS A 25 4.617 4.765 -10.146 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.472 5.409 -7.178 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.481 6.280 -8.316 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.507 7.035 -9.557 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.457 6.070 -8.538 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.401 8.402 -7.795 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.133 7.407 -6.552 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.394 9.494 -6.828 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.389 8.119 -7.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.532 10.009 -8.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.046 8.564 -9.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.902 9.773 -9.235 1.00 0.00 H new ATOM 401 N ARG A 26 5.927 2.985 -7.768 1.00 0.00 N ATOM 402 CA ARG A 26 7.120 2.308 -7.340 1.00 0.00 C ATOM 403 C ARG A 26 7.358 1.044 -8.112 1.00 0.00 C ATOM 404 O ARG A 26 8.416 0.825 -8.685 1.00 0.00 O ATOM 405 CB ARG A 26 7.037 1.949 -5.881 1.00 0.00 C ATOM 406 CG ARG A 26 6.792 3.094 -4.954 1.00 0.00 C ATOM 407 CD ARG A 26 6.734 2.575 -3.556 1.00 0.00 C ATOM 408 NE ARG A 26 6.375 3.591 -2.591 1.00 0.00 N ATOM 409 CZ ARG A 26 5.730 3.329 -1.469 1.00 0.00 C ATOM 410 NH1 ARG A 26 5.393 2.083 -1.189 1.00 0.00 N ATOM 411 NH2 ARG A 26 5.431 4.303 -0.623 1.00 0.00 N ATOM 0 H ARG A 26 5.108 2.813 -7.185 1.00 0.00 H new ATOM 0 HA ARG A 26 7.944 2.999 -7.518 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.239 1.219 -5.749 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.967 1.461 -5.591 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.587 3.834 -5.049 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.858 3.594 -5.210 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.010 1.762 -3.506 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.704 2.155 -3.290 1.00 0.00 H new ATOM 0 HE ARG A 26 6.633 4.558 -2.787 1.00 0.00 H new ATOM 0 HH11 ARG A 26 5.631 1.332 -1.837 1.00 0.00 H new ATOM 0 HH12 ARG A 26 4.895 1.871 -0.325 1.00 0.00 H new ATOM 0 HH21 ARG A 26 5.699 5.264 -0.836 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.933 4.092 0.242 1.00 0.00 H new ATOM 425 N GLY A 27 6.318 0.244 -8.136 1.00 0.00 N ATOM 426 CA GLY A 27 6.333 -1.068 -8.692 1.00 0.00 C ATOM 427 C GLY A 27 6.188 -2.068 -7.590 1.00 0.00 C ATOM 428 O GLY A 27 6.016 -3.265 -7.831 1.00 0.00 O ATOM 0 H GLY A 27 5.411 0.508 -7.752 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.522 -1.181 -9.411 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.264 -1.237 -9.233 1.00 0.00 H new ATOM 432 N VAL A 28 6.166 -1.561 -6.364 1.00 0.00 N ATOM 433 CA VAL A 28 6.183 -2.392 -5.213 1.00 0.00 C ATOM 434 C VAL A 28 5.563 -1.687 -4.010 1.00 0.00 C ATOM 435 O VAL A 28 5.525 -0.447 -3.940 1.00 0.00 O ATOM 436 CB VAL A 28 7.644 -2.783 -4.904 1.00 0.00 C ATOM 437 CG1 VAL A 28 8.482 -1.609 -4.421 1.00 0.00 C ATOM 438 CG2 VAL A 28 7.724 -3.928 -3.976 1.00 0.00 C ATOM 0 H VAL A 28 6.136 -0.562 -6.162 1.00 0.00 H new ATOM 0 HA VAL A 28 5.590 -3.284 -5.413 1.00 0.00 H new ATOM 0 HB VAL A 28 8.078 -3.100 -5.852 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.499 -1.946 -4.220 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.501 -0.835 -5.189 1.00 0.00 H new ATOM 0 HG13 VAL A 28 8.047 -1.203 -3.508 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.770 -4.170 -3.786 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.235 -3.670 -3.037 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.227 -4.791 -4.419 1.00 0.00 H new ATOM 448 N LEU A 29 5.048 -2.484 -3.119 1.00 0.00 N ATOM 449 CA LEU A 29 4.517 -2.056 -1.860 1.00 0.00 C ATOM 450 C LEU A 29 4.897 -3.081 -0.815 1.00 0.00 C ATOM 451 O LEU A 29 4.997 -4.253 -1.129 1.00 0.00 O ATOM 452 CB LEU A 29 2.990 -1.974 -1.897 1.00 0.00 C ATOM 453 CG LEU A 29 2.337 -0.835 -2.667 1.00 0.00 C ATOM 454 CD1 LEU A 29 0.847 -1.068 -2.744 1.00 0.00 C ATOM 455 CD2 LEU A 29 2.586 0.483 -1.980 1.00 0.00 C ATOM 0 H LEU A 29 4.985 -3.493 -3.257 1.00 0.00 H new ATOM 0 HA LEU A 29 4.919 -1.069 -1.633 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.619 -2.910 -2.314 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.637 -1.922 -0.867 1.00 0.00 H new ATOM 0 HG LEU A 29 2.768 -0.804 -3.668 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.379 -0.252 -3.295 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.652 -2.011 -3.256 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.433 -1.109 -1.737 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.111 1.284 -2.546 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.169 0.453 -0.974 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.659 0.666 -1.922 1.00 0.00 H new ATOM 467 N THR A 30 5.163 -2.645 0.374 1.00 0.00 N ATOM 468 CA THR A 30 5.373 -3.540 1.486 1.00 0.00 C ATOM 469 C THR A 30 4.016 -3.930 2.085 1.00 0.00 C ATOM 470 O THR A 30 3.062 -3.150 2.026 1.00 0.00 O ATOM 471 CB THR A 30 6.247 -2.900 2.598 1.00 0.00 C ATOM 472 OG1 THR A 30 5.709 -1.654 3.030 1.00 0.00 O ATOM 473 CG2 THR A 30 7.677 -2.721 2.155 1.00 0.00 C ATOM 0 H THR A 30 5.243 -1.656 0.611 1.00 0.00 H new ATOM 0 HA THR A 30 5.899 -4.416 1.108 1.00 0.00 H new ATOM 0 HB THR A 30 6.238 -3.592 3.440 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.788 -0.996 2.308 1.00 0.00 H new ATOM 0 HG21 THR A 30 8.254 -2.270 2.962 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.104 -3.692 1.902 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.708 -2.072 1.280 1.00 0.00 H new ATOM 481 N TYR A 31 3.923 -5.113 2.655 1.00 0.00 N ATOM 482 CA TYR A 31 2.677 -5.563 3.271 1.00 0.00 C ATOM 483 C TYR A 31 2.286 -4.684 4.443 1.00 0.00 C ATOM 484 O TYR A 31 1.106 -4.408 4.648 1.00 0.00 O ATOM 485 CB TYR A 31 2.746 -7.017 3.755 1.00 0.00 C ATOM 486 CG TYR A 31 2.873 -8.059 2.672 1.00 0.00 C ATOM 487 CD1 TYR A 31 1.864 -8.251 1.743 1.00 0.00 C ATOM 488 CD2 TYR A 31 3.981 -8.873 2.606 1.00 0.00 C ATOM 489 CE1 TYR A 31 1.965 -9.230 0.777 1.00 0.00 C ATOM 490 CE2 TYR A 31 4.096 -9.843 1.644 1.00 0.00 C ATOM 491 CZ TYR A 31 3.089 -10.019 0.731 1.00 0.00 C ATOM 492 OH TYR A 31 3.197 -11.013 -0.217 1.00 0.00 O ATOM 0 H TYR A 31 4.689 -5.784 2.708 1.00 0.00 H new ATOM 0 HA TYR A 31 1.924 -5.492 2.486 1.00 0.00 H new ATOM 0 HB2 TYR A 31 3.595 -7.116 4.431 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.849 -7.231 4.336 1.00 0.00 H new ATOM 0 HD1 TYR A 31 0.985 -7.625 1.776 1.00 0.00 H new ATOM 0 HD2 TYR A 31 4.775 -8.745 3.326 1.00 0.00 H new ATOM 0 HE1 TYR A 31 1.168 -9.375 0.063 1.00 0.00 H new ATOM 0 HE2 TYR A 31 4.977 -10.466 1.606 1.00 0.00 H new ATOM 0 HH TYR A 31 4.055 -11.475 -0.110 1.00 0.00 H new ATOM 502 N GLU A 32 3.271 -4.195 5.183 1.00 0.00 N ATOM 503 CA GLU A 32 2.967 -3.452 6.384 1.00 0.00 C ATOM 504 C GLU A 32 2.409 -2.060 6.088 1.00 0.00 C ATOM 505 O GLU A 32 1.579 -1.560 6.837 1.00 0.00 O ATOM 506 CB GLU A 32 4.142 -3.399 7.368 1.00 0.00 C ATOM 507 CG GLU A 32 3.728 -2.838 8.721 1.00 0.00 C ATOM 508 CD GLU A 32 4.785 -2.910 9.774 1.00 0.00 C ATOM 509 OE1 GLU A 32 5.067 -4.020 10.266 1.00 0.00 O ATOM 510 OE2 GLU A 32 5.296 -1.860 10.201 1.00 0.00 O ATOM 0 H GLU A 32 4.264 -4.299 4.975 1.00 0.00 H new ATOM 0 HA GLU A 32 2.174 -4.011 6.881 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.549 -4.401 7.500 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.938 -2.784 6.949 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.432 -1.797 8.593 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.848 -3.379 9.070 1.00 0.00 H new ATOM 517 N GLU A 33 2.796 -1.459 4.974 1.00 0.00 N ATOM 518 CA GLU A 33 2.291 -0.127 4.666 1.00 0.00 C ATOM 519 C GLU A 33 0.856 -0.249 4.187 1.00 0.00 C ATOM 520 O GLU A 33 0.012 0.627 4.428 1.00 0.00 O ATOM 521 CB GLU A 33 3.162 0.584 3.635 1.00 0.00 C ATOM 522 CG GLU A 33 3.140 -0.036 2.261 1.00 0.00 C ATOM 523 CD GLU A 33 4.102 0.615 1.343 1.00 0.00 C ATOM 524 OE1 GLU A 33 3.859 1.757 0.933 1.00 0.00 O ATOM 525 OE2 GLU A 33 5.139 0.000 1.003 1.00 0.00 O ATOM 0 H GLU A 33 3.437 -1.855 4.287 1.00 0.00 H new ATOM 0 HA GLU A 33 2.323 0.484 5.568 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.836 1.621 3.557 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.190 0.599 3.996 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.375 -1.098 2.339 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.135 0.039 1.846 1.00 0.00 H new ATOM 532 N ILE A 34 0.578 -1.381 3.562 1.00 0.00 N ATOM 533 CA ILE A 34 -0.737 -1.697 3.101 1.00 0.00 C ATOM 534 C ILE A 34 -1.630 -1.957 4.294 1.00 0.00 C ATOM 535 O ILE A 34 -2.758 -1.463 4.360 1.00 0.00 O ATOM 536 CB ILE A 34 -0.733 -2.916 2.156 1.00 0.00 C ATOM 537 CG1 ILE A 34 0.098 -2.605 0.912 1.00 0.00 C ATOM 538 CG2 ILE A 34 -2.155 -3.293 1.772 1.00 0.00 C ATOM 539 CD1 ILE A 34 0.249 -3.769 -0.028 1.00 0.00 C ATOM 0 H ILE A 34 1.272 -2.102 3.366 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.117 -0.849 2.531 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.285 -3.765 2.673 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.364 -1.776 0.376 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.088 -2.271 1.223 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.135 -4.155 1.105 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.721 -3.542 2.670 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.630 -2.453 1.265 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.851 -3.468 -0.885 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.740 -4.593 0.489 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.735 -4.090 -0.370 1.00 0.00 H new ATOM 551 N ALA A 35 -1.086 -2.661 5.298 1.00 0.00 N ATOM 552 CA ALA A 35 -1.780 -3.003 6.511 1.00 0.00 C ATOM 553 C ALA A 35 -2.053 -1.755 7.325 1.00 0.00 C ATOM 554 O ALA A 35 -3.099 -1.608 7.943 1.00 0.00 O ATOM 555 CB ALA A 35 -0.974 -4.004 7.323 1.00 0.00 C ATOM 0 H ALA A 35 -0.127 -3.008 5.271 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.732 -3.464 6.250 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.515 -4.251 8.237 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.821 -4.910 6.736 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.007 -3.570 7.579 1.00 0.00 H new ATOM 561 N GLU A 36 -1.087 -0.848 7.271 1.00 0.00 N ATOM 562 CA GLU A 36 -1.071 0.380 8.027 1.00 0.00 C ATOM 563 C GLU A 36 -2.285 1.215 7.732 1.00 0.00 C ATOM 564 O GLU A 36 -3.005 1.623 8.630 1.00 0.00 O ATOM 565 CB GLU A 36 0.176 1.172 7.650 1.00 0.00 C ATOM 566 CG GLU A 36 0.329 2.504 8.347 1.00 0.00 C ATOM 567 CD GLU A 36 1.416 3.324 7.722 1.00 0.00 C ATOM 568 OE1 GLU A 36 1.107 4.226 6.911 1.00 0.00 O ATOM 569 OE2 GLU A 36 2.591 3.075 7.988 1.00 0.00 O ATOM 0 H GLU A 36 -0.267 -0.959 6.675 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.070 0.135 9.089 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.053 0.563 7.869 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.167 1.343 6.573 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.613 3.051 8.302 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.554 2.342 9.401 1.00 0.00 H new ATOM 576 N ARG A 37 -2.532 1.452 6.465 1.00 0.00 N ATOM 577 CA ARG A 37 -3.635 2.279 6.042 1.00 0.00 C ATOM 578 C ARG A 37 -4.964 1.582 6.275 1.00 0.00 C ATOM 579 O ARG A 37 -5.969 2.227 6.581 1.00 0.00 O ATOM 580 CB ARG A 37 -3.446 2.645 4.579 1.00 0.00 C ATOM 581 CG ARG A 37 -2.095 3.278 4.298 1.00 0.00 C ATOM 582 CD ARG A 37 -1.939 4.602 5.023 1.00 0.00 C ATOM 583 NE ARG A 37 -0.557 5.078 5.001 1.00 0.00 N ATOM 584 CZ ARG A 37 -0.115 6.126 4.318 1.00 0.00 C ATOM 585 NH1 ARG A 37 -0.891 6.727 3.417 1.00 0.00 N ATOM 586 NH2 ARG A 37 1.135 6.540 4.497 1.00 0.00 N ATOM 0 H ARG A 37 -1.973 1.076 5.699 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.651 3.192 6.637 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.556 1.749 3.968 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -4.234 3.335 4.277 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.302 2.597 4.607 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -1.981 3.434 3.225 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.587 5.347 4.561 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.268 4.491 6.056 1.00 0.00 H new ATOM 0 HE ARG A 37 0.124 4.561 5.557 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.836 6.382 3.246 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.540 7.532 2.898 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.744 6.053 5.154 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.485 7.345 3.977 1.00 0.00 H new ATOM 600 N MET A 38 -4.949 0.261 6.220 1.00 0.00 N ATOM 601 CA MET A 38 -6.165 -0.513 6.421 1.00 0.00 C ATOM 602 C MET A 38 -6.429 -0.717 7.900 1.00 0.00 C ATOM 603 O MET A 38 -7.418 -1.321 8.277 1.00 0.00 O ATOM 604 CB MET A 38 -6.112 -1.869 5.714 1.00 0.00 C ATOM 605 CG MET A 38 -5.851 -1.787 4.229 1.00 0.00 C ATOM 606 SD MET A 38 -7.080 -0.817 3.351 1.00 0.00 S ATOM 607 CE MET A 38 -6.485 -0.988 1.676 1.00 0.00 C ATOM 0 H MET A 38 -4.114 -0.297 6.039 1.00 0.00 H new ATOM 0 HA MET A 38 -6.981 0.060 5.981 1.00 0.00 H new ATOM 0 HB2 MET A 38 -5.332 -2.475 6.175 1.00 0.00 H new ATOM 0 HB3 MET A 38 -7.057 -2.387 5.877 1.00 0.00 H new ATOM 0 HG2 MET A 38 -4.866 -1.351 4.063 1.00 0.00 H new ATOM 0 HG3 MET A 38 -5.828 -2.795 3.814 1.00 0.00 H new ATOM 0 HE1 MET A 38 -6.653 -0.058 1.134 1.00 0.00 H new ATOM 0 HE2 MET A 38 -5.419 -1.213 1.690 1.00 0.00 H new ATOM 0 HE3 MET A 38 -7.020 -1.798 1.181 1.00 0.00 H new ATOM 617 N SER A 39 -5.551 -0.188 8.733 1.00 0.00 N ATOM 618 CA SER A 39 -5.694 -0.288 10.167 1.00 0.00 C ATOM 619 C SER A 39 -6.797 0.651 10.658 1.00 0.00 C ATOM 620 O SER A 39 -7.277 0.516 11.788 1.00 0.00 O ATOM 621 CB SER A 39 -4.360 0.010 10.871 1.00 0.00 C ATOM 622 OG SER A 39 -4.462 -0.136 12.278 1.00 0.00 O ATOM 0 H SER A 39 -4.721 0.322 8.431 1.00 0.00 H new ATOM 0 HA SER A 39 -5.980 -1.310 10.416 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.591 -0.662 10.491 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.042 1.025 10.633 1.00 0.00 H new ATOM 0 HG SER A 39 -5.398 -0.036 12.550 1.00 0.00 H new ATOM 628 N SER A 40 -7.170 1.611 9.826 1.00 0.00 N ATOM 629 CA SER A 40 -8.270 2.481 10.137 1.00 0.00 C ATOM 630 C SER A 40 -9.579 1.701 9.987 1.00 0.00 C ATOM 631 O SER A 40 -10.568 1.962 10.677 1.00 0.00 O ATOM 632 CB SER A 40 -8.230 3.749 9.249 1.00 0.00 C ATOM 633 OG SER A 40 -8.142 3.430 7.855 1.00 0.00 O ATOM 0 H SER A 40 -6.720 1.800 8.931 1.00 0.00 H new ATOM 0 HA SER A 40 -8.196 2.825 11.169 1.00 0.00 H new ATOM 0 HB2 SER A 40 -9.125 4.344 9.428 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.376 4.364 9.534 1.00 0.00 H new ATOM 0 HG SER A 40 -7.228 3.150 7.640 1.00 0.00 H new ATOM 639 N PHE A 41 -9.537 0.709 9.123 1.00 0.00 N ATOM 640 CA PHE A 41 -10.655 -0.169 8.849 1.00 0.00 C ATOM 641 C PHE A 41 -10.401 -1.503 9.542 1.00 0.00 C ATOM 642 O PHE A 41 -9.450 -1.638 10.337 1.00 0.00 O ATOM 643 CB PHE A 41 -10.722 -0.418 7.330 1.00 0.00 C ATOM 644 CG PHE A 41 -10.552 0.819 6.528 1.00 0.00 C ATOM 645 CD1 PHE A 41 -11.395 1.900 6.698 1.00 0.00 C ATOM 646 CD2 PHE A 41 -9.520 0.914 5.628 1.00 0.00 C ATOM 647 CE1 PHE A 41 -11.200 3.051 5.984 1.00 0.00 C ATOM 648 CE2 PHE A 41 -9.324 2.052 4.907 1.00 0.00 C ATOM 649 CZ PHE A 41 -10.163 3.126 5.088 1.00 0.00 C ATOM 0 H PHE A 41 -8.704 0.485 8.578 1.00 0.00 H new ATOM 0 HA PHE A 41 -11.584 0.277 9.204 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -9.949 -1.134 7.051 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -11.681 -0.874 7.085 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -12.214 1.836 7.399 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -8.855 0.075 5.490 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -11.858 3.896 6.125 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -8.513 2.111 4.196 1.00 0.00 H new ATOM 0 HZ PHE A 41 -10.005 4.033 4.523 1.00 0.00 H new ATOM 659 N GLU A 42 -11.236 -2.464 9.265 1.00 0.00 N ATOM 660 CA GLU A 42 -11.026 -3.812 9.709 1.00 0.00 C ATOM 661 C GLU A 42 -11.065 -4.694 8.506 1.00 0.00 C ATOM 662 O GLU A 42 -12.136 -5.054 8.010 1.00 0.00 O ATOM 663 CB GLU A 42 -12.043 -4.269 10.747 1.00 0.00 C ATOM 664 CG GLU A 42 -12.015 -3.462 12.019 1.00 0.00 C ATOM 665 CD GLU A 42 -12.827 -4.083 13.099 1.00 0.00 C ATOM 666 OE1 GLU A 42 -12.269 -4.865 13.894 1.00 0.00 O ATOM 667 OE2 GLU A 42 -14.026 -3.802 13.202 1.00 0.00 O ATOM 0 H GLU A 42 -12.088 -2.332 8.720 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.059 -3.868 10.209 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -13.042 -4.213 10.314 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.858 -5.316 10.987 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.984 -3.357 12.357 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.389 -2.458 11.818 1.00 0.00 H new ATOM 674 N ILE A 43 -9.917 -4.938 7.965 1.00 0.00 N ATOM 675 CA ILE A 43 -9.796 -5.729 6.793 1.00 0.00 C ATOM 676 C ILE A 43 -9.158 -7.031 7.153 1.00 0.00 C ATOM 677 O ILE A 43 -8.061 -7.068 7.704 1.00 0.00 O ATOM 678 CB ILE A 43 -8.953 -5.001 5.733 1.00 0.00 C ATOM 679 CG1 ILE A 43 -9.516 -3.610 5.490 1.00 0.00 C ATOM 680 CG2 ILE A 43 -8.883 -5.788 4.434 1.00 0.00 C ATOM 681 CD1 ILE A 43 -10.921 -3.618 4.945 1.00 0.00 C ATOM 0 H ILE A 43 -9.031 -4.589 8.330 1.00 0.00 H new ATOM 0 HA ILE A 43 -10.786 -5.906 6.373 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.935 -4.912 6.112 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.501 -3.052 6.426 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -8.867 -3.081 4.792 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.279 -5.242 3.710 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.431 -6.762 4.622 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.889 -5.926 4.037 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -11.259 -2.593 4.796 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -10.939 -4.148 3.993 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -11.583 -4.119 5.652 1.00 0.00 H new ATOM 693 N GLU A 44 -9.849 -8.070 6.860 1.00 0.00 N ATOM 694 CA GLU A 44 -9.433 -9.403 7.169 1.00 0.00 C ATOM 695 C GLU A 44 -8.365 -9.866 6.198 1.00 0.00 C ATOM 696 O GLU A 44 -8.197 -9.283 5.110 1.00 0.00 O ATOM 697 CB GLU A 44 -10.636 -10.324 7.091 1.00 0.00 C ATOM 698 CG GLU A 44 -11.820 -9.829 7.896 1.00 0.00 C ATOM 699 CD GLU A 44 -11.476 -9.566 9.337 1.00 0.00 C ATOM 700 OE1 GLU A 44 -11.496 -8.405 9.753 1.00 0.00 O ATOM 701 OE2 GLU A 44 -11.151 -10.514 10.075 1.00 0.00 O ATOM 0 H GLU A 44 -10.750 -8.023 6.383 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.013 -9.425 8.175 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -10.934 -10.434 6.048 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -10.351 -11.314 7.447 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -12.202 -8.913 7.445 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -12.621 -10.567 7.847 1.00 0.00 H new ATOM 708 N SER A 45 -7.687 -10.925 6.560 1.00 0.00 N ATOM 709 CA SER A 45 -6.627 -11.501 5.762 1.00 0.00 C ATOM 710 C SER A 45 -7.193 -12.000 4.407 1.00 0.00 C ATOM 711 O SER A 45 -6.497 -11.978 3.375 1.00 0.00 O ATOM 712 CB SER A 45 -5.954 -12.638 6.557 1.00 0.00 C ATOM 713 OG SER A 45 -4.803 -13.134 5.903 1.00 0.00 O ATOM 0 H SER A 45 -7.857 -11.423 7.434 1.00 0.00 H new ATOM 0 HA SER A 45 -5.872 -10.747 5.541 1.00 0.00 H new ATOM 0 HB2 SER A 45 -5.680 -12.274 7.547 1.00 0.00 H new ATOM 0 HB3 SER A 45 -6.667 -13.450 6.702 1.00 0.00 H new ATOM 0 HG SER A 45 -4.406 -13.851 6.439 1.00 0.00 H new ATOM 719 N ASP A 46 -8.471 -12.396 4.423 1.00 0.00 N ATOM 720 CA ASP A 46 -9.199 -12.827 3.223 1.00 0.00 C ATOM 721 C ASP A 46 -9.231 -11.675 2.233 1.00 0.00 C ATOM 722 O ASP A 46 -8.792 -11.784 1.083 1.00 0.00 O ATOM 723 CB ASP A 46 -10.665 -13.145 3.575 1.00 0.00 C ATOM 724 CG ASP A 46 -10.877 -14.264 4.565 1.00 0.00 C ATOM 725 OD1 ASP A 46 -10.578 -14.083 5.762 1.00 0.00 O ATOM 726 OD2 ASP A 46 -11.425 -15.316 4.180 1.00 0.00 O ATOM 0 H ASP A 46 -9.033 -12.427 5.274 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.703 -13.707 2.813 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -11.127 -12.242 3.973 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.193 -13.395 2.655 1.00 0.00 H new ATOM 731 N GLN A 47 -9.717 -10.551 2.735 1.00 0.00 N ATOM 732 CA GLN A 47 -9.896 -9.336 1.964 1.00 0.00 C ATOM 733 C GLN A 47 -8.556 -8.794 1.502 1.00 0.00 C ATOM 734 O GLN A 47 -8.429 -8.294 0.380 1.00 0.00 O ATOM 735 CB GLN A 47 -10.573 -8.298 2.823 1.00 0.00 C ATOM 736 CG GLN A 47 -11.854 -8.763 3.455 1.00 0.00 C ATOM 737 CD GLN A 47 -12.494 -7.683 4.270 1.00 0.00 C ATOM 738 OE1 GLN A 47 -12.226 -7.544 5.460 1.00 0.00 O ATOM 739 NE2 GLN A 47 -13.317 -6.907 3.654 1.00 0.00 N ATOM 0 H GLN A 47 -10.003 -10.458 3.710 1.00 0.00 H new ATOM 0 HA GLN A 47 -10.507 -9.564 1.091 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -9.885 -7.988 3.609 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -10.780 -7.418 2.215 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -12.545 -9.090 2.678 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -11.654 -9.627 4.089 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -13.514 -7.055 2.664 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -13.772 -6.144 4.156 1.00 0.00 H new ATOM 748 N MET A 48 -7.563 -8.892 2.377 1.00 0.00 N ATOM 749 CA MET A 48 -6.214 -8.436 2.076 1.00 0.00 C ATOM 750 C MET A 48 -5.633 -9.125 0.856 1.00 0.00 C ATOM 751 O MET A 48 -5.102 -8.456 -0.021 1.00 0.00 O ATOM 752 CB MET A 48 -5.260 -8.594 3.273 1.00 0.00 C ATOM 753 CG MET A 48 -5.411 -7.556 4.391 1.00 0.00 C ATOM 754 SD MET A 48 -4.545 -5.965 4.087 1.00 0.00 S ATOM 755 CE MET A 48 -5.347 -5.302 2.622 1.00 0.00 C ATOM 0 H MET A 48 -7.670 -9.288 3.311 1.00 0.00 H new ATOM 0 HA MET A 48 -6.307 -7.373 1.856 1.00 0.00 H new ATOM 0 HB2 MET A 48 -5.407 -9.585 3.702 1.00 0.00 H new ATOM 0 HB3 MET A 48 -4.235 -8.555 2.904 1.00 0.00 H new ATOM 0 HG2 MET A 48 -6.472 -7.354 4.539 1.00 0.00 H new ATOM 0 HG3 MET A 48 -5.036 -7.986 5.320 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.050 -4.262 2.484 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.049 -5.884 1.750 1.00 0.00 H new ATOM 0 HE3 MET A 48 -6.429 -5.357 2.743 1.00 0.00 H new ATOM 765 N ASP A 49 -5.772 -10.456 0.785 1.00 0.00 N ATOM 766 CA ASP A 49 -5.208 -11.245 -0.345 1.00 0.00 C ATOM 767 C ASP A 49 -5.823 -10.814 -1.647 1.00 0.00 C ATOM 768 O ASP A 49 -5.140 -10.669 -2.651 1.00 0.00 O ATOM 769 CB ASP A 49 -5.458 -12.737 -0.161 1.00 0.00 C ATOM 770 CG ASP A 49 -4.709 -13.593 -1.175 1.00 0.00 C ATOM 771 OD1 ASP A 49 -3.611 -14.089 -0.838 1.00 0.00 O ATOM 772 OD2 ASP A 49 -5.214 -13.823 -2.306 1.00 0.00 O ATOM 0 H ASP A 49 -6.263 -11.014 1.483 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.134 -11.062 -0.360 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.158 -13.029 0.845 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.527 -12.934 -0.245 1.00 0.00 H new ATOM 777 N GLU A 50 -7.114 -10.572 -1.604 1.00 0.00 N ATOM 778 CA GLU A 50 -7.859 -10.115 -2.756 1.00 0.00 C ATOM 779 C GLU A 50 -7.305 -8.769 -3.254 1.00 0.00 C ATOM 780 O GLU A 50 -7.129 -8.563 -4.457 1.00 0.00 O ATOM 781 CB GLU A 50 -9.333 -10.011 -2.403 1.00 0.00 C ATOM 782 CG GLU A 50 -10.210 -9.528 -3.530 1.00 0.00 C ATOM 783 CD GLU A 50 -11.651 -9.516 -3.147 1.00 0.00 C ATOM 784 OE1 GLU A 50 -12.386 -10.464 -3.526 1.00 0.00 O ATOM 785 OE2 GLU A 50 -12.086 -8.571 -2.461 1.00 0.00 O ATOM 0 H GLU A 50 -7.680 -10.687 -0.764 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.750 -10.836 -3.566 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.686 -10.989 -2.078 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.445 -9.334 -1.556 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.904 -8.524 -3.823 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.071 -10.171 -4.399 1.00 0.00 H new ATOM 792 N TYR A 51 -6.980 -7.882 -2.315 1.00 0.00 N ATOM 793 CA TYR A 51 -6.389 -6.605 -2.668 1.00 0.00 C ATOM 794 C TYR A 51 -4.982 -6.842 -3.204 1.00 0.00 C ATOM 795 O TYR A 51 -4.565 -6.180 -4.148 1.00 0.00 O ATOM 796 CB TYR A 51 -6.403 -5.632 -1.493 1.00 0.00 C ATOM 797 CG TYR A 51 -5.823 -4.273 -1.827 1.00 0.00 C ATOM 798 CD1 TYR A 51 -6.179 -3.598 -3.003 1.00 0.00 C ATOM 799 CD2 TYR A 51 -4.920 -3.663 -0.972 1.00 0.00 C ATOM 800 CE1 TYR A 51 -5.640 -2.372 -3.297 1.00 0.00 C ATOM 801 CE2 TYR A 51 -4.384 -2.431 -1.271 1.00 0.00 C ATOM 802 CZ TYR A 51 -4.748 -1.799 -2.434 1.00 0.00 C ATOM 803 OH TYR A 51 -4.208 -0.595 -2.734 1.00 0.00 O ATOM 0 H TYR A 51 -7.117 -8.027 -1.315 1.00 0.00 H new ATOM 0 HA TYR A 51 -6.987 -6.135 -3.449 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -7.429 -5.505 -1.148 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -5.840 -6.065 -0.666 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.885 -4.048 -3.685 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -4.632 -4.161 -0.058 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -5.919 -1.861 -4.207 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.682 -1.965 -0.595 1.00 0.00 H new ATOM 0 HH TYR A 51 -4.908 0.004 -3.068 1.00 0.00 H new ATOM 813 N TYR A 52 -4.248 -7.773 -2.614 1.00 0.00 N ATOM 814 CA TYR A 52 -2.893 -8.073 -3.058 1.00 0.00 C ATOM 815 C TYR A 52 -2.904 -8.575 -4.496 1.00 0.00 C ATOM 816 O TYR A 52 -2.089 -8.162 -5.326 1.00 0.00 O ATOM 817 CB TYR A 52 -2.191 -9.090 -2.138 1.00 0.00 C ATOM 818 CG TYR A 52 -1.994 -8.626 -0.704 1.00 0.00 C ATOM 819 CD1 TYR A 52 -1.695 -7.304 -0.408 1.00 0.00 C ATOM 820 CD2 TYR A 52 -2.095 -9.520 0.355 1.00 0.00 C ATOM 821 CE1 TYR A 52 -1.511 -6.889 0.891 1.00 0.00 C ATOM 822 CE2 TYR A 52 -1.913 -9.108 1.659 1.00 0.00 C ATOM 823 CZ TYR A 52 -1.624 -7.794 1.923 1.00 0.00 C ATOM 824 OH TYR A 52 -1.431 -7.385 3.229 1.00 0.00 O ATOM 0 H TYR A 52 -4.567 -8.335 -1.825 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.323 -7.145 -3.008 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.772 -10.012 -2.130 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.217 -9.331 -2.564 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -1.605 -6.588 -1.211 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.320 -10.557 0.153 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.278 -5.855 1.101 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.998 -9.818 2.469 1.00 0.00 H new ATOM 0 HH TYR A 52 -2.257 -6.984 3.571 1.00 0.00 H new ATOM 834 N GLU A 53 -3.884 -9.422 -4.788 1.00 0.00 N ATOM 835 CA GLU A 53 -4.089 -9.988 -6.103 1.00 0.00 C ATOM 836 C GLU A 53 -4.410 -8.858 -7.092 1.00 0.00 C ATOM 837 O GLU A 53 -3.856 -8.807 -8.203 1.00 0.00 O ATOM 838 CB GLU A 53 -5.269 -10.962 -6.030 1.00 0.00 C ATOM 839 CG GLU A 53 -5.388 -11.909 -7.203 1.00 0.00 C ATOM 840 CD GLU A 53 -4.277 -12.917 -7.216 1.00 0.00 C ATOM 841 OE1 GLU A 53 -4.385 -13.945 -6.505 1.00 0.00 O ATOM 842 OE2 GLU A 53 -3.274 -12.716 -7.921 1.00 0.00 O ATOM 0 H GLU A 53 -4.568 -9.737 -4.100 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.194 -10.513 -6.437 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.180 -11.549 -5.116 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.191 -10.387 -5.951 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.347 -12.425 -7.159 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.375 -11.340 -8.133 1.00 0.00 H new ATOM 849 N PHE A 54 -5.281 -7.950 -6.655 1.00 0.00 N ATOM 850 CA PHE A 54 -5.656 -6.771 -7.411 1.00 0.00 C ATOM 851 C PHE A 54 -4.414 -5.945 -7.766 1.00 0.00 C ATOM 852 O PHE A 54 -4.188 -5.603 -8.936 1.00 0.00 O ATOM 853 CB PHE A 54 -6.654 -5.934 -6.586 1.00 0.00 C ATOM 854 CG PHE A 54 -6.862 -4.544 -7.095 1.00 0.00 C ATOM 855 CD1 PHE A 54 -7.735 -4.280 -8.128 1.00 0.00 C ATOM 856 CD2 PHE A 54 -6.156 -3.502 -6.537 1.00 0.00 C ATOM 857 CE1 PHE A 54 -7.892 -2.991 -8.594 1.00 0.00 C ATOM 858 CE2 PHE A 54 -6.306 -2.223 -6.987 1.00 0.00 C ATOM 859 CZ PHE A 54 -7.168 -1.962 -8.014 1.00 0.00 C ATOM 0 H PHE A 54 -5.749 -8.020 -5.752 1.00 0.00 H new ATOM 0 HA PHE A 54 -6.132 -7.074 -8.343 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -7.614 -6.449 -6.569 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -6.302 -5.882 -5.556 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -8.299 -5.086 -8.575 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -5.470 -3.701 -5.727 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -8.575 -2.785 -9.405 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.745 -1.420 -6.533 1.00 0.00 H new ATOM 0 HZ PHE A 54 -7.285 -0.951 -8.375 1.00 0.00 H new ATOM 869 N LEU A 55 -3.621 -5.638 -6.753 1.00 0.00 N ATOM 870 CA LEU A 55 -2.394 -4.867 -6.906 1.00 0.00 C ATOM 871 C LEU A 55 -1.437 -5.520 -7.889 1.00 0.00 C ATOM 872 O LEU A 55 -0.855 -4.855 -8.760 1.00 0.00 O ATOM 873 CB LEU A 55 -1.726 -4.661 -5.557 1.00 0.00 C ATOM 874 CG LEU A 55 -2.442 -3.722 -4.603 1.00 0.00 C ATOM 875 CD1 LEU A 55 -1.774 -3.752 -3.249 1.00 0.00 C ATOM 876 CD2 LEU A 55 -2.437 -2.302 -5.161 1.00 0.00 C ATOM 0 H LEU A 55 -3.811 -5.919 -5.791 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.663 -3.893 -7.315 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.622 -5.632 -5.072 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.719 -4.279 -5.726 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.475 -4.051 -4.493 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.295 -3.075 -2.571 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.809 -4.765 -2.848 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.735 -3.437 -3.349 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.953 -1.637 -4.469 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.408 -1.965 -5.289 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.946 -2.288 -6.125 1.00 0.00 H new ATOM 888 N GLY A 56 -1.317 -6.831 -7.739 1.00 0.00 N ATOM 889 CA GLY A 56 -0.477 -7.625 -8.619 1.00 0.00 C ATOM 890 C GLY A 56 -0.899 -7.491 -10.065 1.00 0.00 C ATOM 891 O GLY A 56 -0.054 -7.366 -10.952 1.00 0.00 O ATOM 0 H GLY A 56 -1.793 -7.367 -7.013 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.561 -7.311 -8.512 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.525 -8.672 -8.321 1.00 0.00 H new ATOM 895 N GLU A 57 -2.205 -7.476 -10.305 1.00 0.00 N ATOM 896 CA GLU A 57 -2.730 -7.321 -11.631 1.00 0.00 C ATOM 897 C GLU A 57 -2.432 -5.958 -12.222 1.00 0.00 C ATOM 898 O GLU A 57 -2.258 -5.815 -13.429 1.00 0.00 O ATOM 899 CB GLU A 57 -4.207 -7.563 -11.656 1.00 0.00 C ATOM 900 CG GLU A 57 -4.617 -8.993 -11.438 1.00 0.00 C ATOM 901 CD GLU A 57 -6.080 -9.171 -11.673 1.00 0.00 C ATOM 902 OE1 GLU A 57 -6.849 -9.140 -10.715 1.00 0.00 O ATOM 903 OE2 GLU A 57 -6.491 -9.329 -12.849 1.00 0.00 O ATOM 0 H GLU A 57 -2.917 -7.571 -9.580 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.227 -8.068 -12.245 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.675 -6.945 -10.890 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.599 -7.230 -12.617 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.055 -9.643 -12.109 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.369 -9.295 -10.421 1.00 0.00 H new ATOM 910 N GLN A 58 -2.393 -4.942 -11.381 1.00 0.00 N ATOM 911 CA GLN A 58 -2.155 -3.601 -11.853 1.00 0.00 C ATOM 912 C GLN A 58 -0.671 -3.422 -12.106 1.00 0.00 C ATOM 913 O GLN A 58 -0.275 -2.823 -13.093 1.00 0.00 O ATOM 914 CB GLN A 58 -2.694 -2.571 -10.855 1.00 0.00 C ATOM 915 CG GLN A 58 -4.161 -2.804 -10.487 1.00 0.00 C ATOM 916 CD GLN A 58 -5.081 -2.925 -11.699 1.00 0.00 C ATOM 917 OE1 GLN A 58 -4.852 -2.316 -12.750 1.00 0.00 O ATOM 918 NE2 GLN A 58 -6.095 -3.737 -11.572 1.00 0.00 N ATOM 0 H GLN A 58 -2.523 -5.024 -10.373 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.688 -3.439 -12.790 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.089 -2.601 -9.949 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.586 -1.572 -11.278 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.238 -3.713 -9.890 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.505 -1.981 -9.860 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -6.252 -4.222 -10.689 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -6.730 -3.886 -12.356 1.00 0.00 H new ATOM 927 N GLY A 59 0.128 -3.899 -11.207 1.00 0.00 N ATOM 928 CA GLY A 59 1.548 -3.905 -11.423 1.00 0.00 C ATOM 929 C GLY A 59 2.295 -3.521 -10.200 1.00 0.00 C ATOM 930 O GLY A 59 3.156 -2.640 -10.238 1.00 0.00 O ATOM 0 H GLY A 59 -0.173 -4.291 -10.315 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.862 -4.898 -11.744 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.795 -3.216 -12.231 1.00 0.00 H new ATOM 934 N VAL A 60 1.957 -4.144 -9.105 1.00 0.00 N ATOM 935 CA VAL A 60 2.584 -3.855 -7.845 1.00 0.00 C ATOM 936 C VAL A 60 2.953 -5.152 -7.172 1.00 0.00 C ATOM 937 O VAL A 60 2.095 -6.002 -6.952 1.00 0.00 O ATOM 938 CB VAL A 60 1.635 -3.094 -6.888 1.00 0.00 C ATOM 939 CG1 VAL A 60 2.386 -2.642 -5.662 1.00 0.00 C ATOM 940 CG2 VAL A 60 0.928 -1.922 -7.573 1.00 0.00 C ATOM 0 H VAL A 60 1.239 -4.867 -9.061 1.00 0.00 H new ATOM 0 HA VAL A 60 3.458 -3.236 -8.049 1.00 0.00 H new ATOM 0 HB VAL A 60 0.851 -3.787 -6.583 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.708 -2.108 -4.996 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.794 -3.510 -5.144 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.200 -1.980 -5.957 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.275 -1.423 -6.857 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.671 -1.214 -7.942 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.335 -2.293 -8.409 1.00 0.00 H new ATOM 950 N GLU A 61 4.205 -5.308 -6.878 1.00 0.00 N ATOM 951 CA GLU A 61 4.668 -6.464 -6.160 1.00 0.00 C ATOM 952 C GLU A 61 4.586 -6.172 -4.690 1.00 0.00 C ATOM 953 O GLU A 61 4.891 -5.057 -4.258 1.00 0.00 O ATOM 954 CB GLU A 61 6.090 -6.776 -6.556 1.00 0.00 C ATOM 955 CG GLU A 61 6.215 -7.084 -8.016 1.00 0.00 C ATOM 956 CD GLU A 61 7.622 -7.404 -8.434 1.00 0.00 C ATOM 957 OE1 GLU A 61 7.897 -8.570 -8.796 1.00 0.00 O ATOM 958 OE2 GLU A 61 8.483 -6.503 -8.428 1.00 0.00 O ATOM 0 H GLU A 61 4.937 -4.643 -7.126 1.00 0.00 H new ATOM 0 HA GLU A 61 4.050 -7.330 -6.398 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.729 -5.928 -6.309 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.449 -7.625 -5.975 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.570 -7.928 -8.259 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.856 -6.232 -8.593 1.00 0.00 H new ATOM 965 N LEU A 62 4.119 -7.105 -3.930 1.00 0.00 N ATOM 966 CA LEU A 62 4.015 -6.890 -2.525 1.00 0.00 C ATOM 967 C LEU A 62 5.165 -7.546 -1.775 1.00 0.00 C ATOM 968 O LEU A 62 5.229 -8.771 -1.654 1.00 0.00 O ATOM 969 CB LEU A 62 2.667 -7.375 -1.984 1.00 0.00 C ATOM 970 CG LEU A 62 1.393 -6.856 -2.677 1.00 0.00 C ATOM 971 CD1 LEU A 62 1.472 -5.394 -3.053 1.00 0.00 C ATOM 972 CD2 LEU A 62 0.950 -7.731 -3.830 1.00 0.00 C ATOM 0 H LEU A 62 3.805 -8.019 -4.255 1.00 0.00 H new ATOM 0 HA LEU A 62 4.077 -5.815 -2.358 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.657 -8.464 -2.034 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.611 -7.104 -0.930 1.00 0.00 H new ATOM 0 HG LEU A 62 0.607 -6.926 -1.926 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.543 -5.092 -3.537 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.625 -4.795 -2.155 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.305 -5.239 -3.739 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.048 -7.314 -4.278 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.741 -7.774 -4.579 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.742 -8.737 -3.465 1.00 0.00 H new ATOM 984 N ILE A 63 6.080 -6.733 -1.298 1.00 0.00 N ATOM 985 CA ILE A 63 7.203 -7.212 -0.513 1.00 0.00 C ATOM 986 C ILE A 63 6.860 -7.142 0.964 1.00 0.00 C ATOM 987 O ILE A 63 5.810 -6.639 1.331 1.00 0.00 O ATOM 988 CB ILE A 63 8.503 -6.408 -0.766 1.00 0.00 C ATOM 989 CG1 ILE A 63 8.308 -4.924 -0.462 1.00 0.00 C ATOM 990 CG2 ILE A 63 8.963 -6.588 -2.175 1.00 0.00 C ATOM 991 CD1 ILE A 63 9.554 -4.073 -0.645 1.00 0.00 C ATOM 0 H ILE A 63 6.070 -5.723 -1.441 1.00 0.00 H new ATOM 0 HA ILE A 63 7.388 -8.241 -0.822 1.00 0.00 H new ATOM 0 HB ILE A 63 9.267 -6.793 -0.091 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.520 -4.535 -1.107 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.960 -4.819 0.566 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.877 -6.016 -2.335 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.158 -7.644 -2.362 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.190 -6.235 -2.858 1.00 0.00 H new ATOM 0 HD11 ILE A 63 9.323 -3.034 -0.408 1.00 0.00 H new ATOM 0 HD12 ILE A 63 10.340 -4.431 0.020 1.00 0.00 H new ATOM 0 HD13 ILE A 63 9.893 -4.142 -1.679 1.00 0.00 H new