USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 416 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 57 THR OG1 : rot 120:sc= 0.365 USER MOD Set 1.2: A 60 GLN : amide:sc= -1.07 K(o=-0.71,f=-3.6!) USER MOD Single : A 25 THR OG1 : rot -37:sc= 0.352 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc=-0.00297 X(o=-0.003,f=-0.08) USER MOD Single : A 29 THR OG1 : rot 75:sc= 1.18 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= 0.209 K(o=0.21,f=-0.41) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.00114 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN :FLIP amide:sc= -0.119 F(o=-1,f=-0.12) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -1 K(o=-1,f=-1.9!) USER MOD Single : A 67 ASN : amide:sc= 0.258 X(o=0.26,f=0) USER MOD ----------------------------------------------------------------- ATOM 155 N THR A 25 3.331 -4.401 -8.008 1.00 0.00 N ATOM 156 CA THR A 25 3.685 -3.848 -9.300 1.00 0.00 C ATOM 157 C THR A 25 2.643 -2.806 -9.677 1.00 0.00 C ATOM 158 O THR A 25 1.643 -2.667 -8.975 1.00 0.00 O ATOM 159 CB THR A 25 3.739 -4.944 -10.375 1.00 0.00 C ATOM 160 OG1 THR A 25 2.654 -5.861 -10.183 1.00 0.00 O ATOM 161 CG2 THR A 25 5.063 -5.693 -10.321 1.00 0.00 C ATOM 0 HA THR A 25 4.674 -3.394 -9.238 1.00 0.00 H new ATOM 0 HB THR A 25 3.651 -4.473 -11.354 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.501 -5.990 -9.224 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.077 -6.464 -11.092 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.883 -4.995 -10.491 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.179 -6.157 -9.342 1.00 0.00 H new ATOM 169 N LYS A 26 2.854 -2.077 -10.762 1.00 0.00 N ATOM 170 CA LYS A 26 1.891 -1.060 -11.179 1.00 0.00 C ATOM 171 C LYS A 26 0.523 -1.687 -11.425 1.00 0.00 C ATOM 172 O LYS A 26 -0.497 -1.137 -11.015 1.00 0.00 O ATOM 173 CB LYS A 26 2.380 -0.322 -12.423 1.00 0.00 C ATOM 174 CG LYS A 26 3.482 0.683 -12.128 1.00 0.00 C ATOM 175 CD LYS A 26 3.003 1.783 -11.188 1.00 0.00 C ATOM 176 CE LYS A 26 4.147 2.695 -10.769 1.00 0.00 C ATOM 177 NZ LYS A 26 3.673 3.856 -9.967 1.00 0.00 N ATOM 0 H LYS A 26 3.671 -2.166 -11.366 1.00 0.00 H new ATOM 0 HA LYS A 26 1.795 -0.332 -10.373 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.745 -1.049 -13.149 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.539 0.195 -12.885 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.334 0.169 -11.683 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.829 1.127 -13.061 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.228 2.372 -11.680 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.550 1.336 -10.303 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.870 2.124 -10.187 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.666 3.056 -11.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.485 4.450 -9.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.002 4.416 -10.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.200 3.514 -9.106 1.00 0.00 H new ATOM 191 N TYR A 27 0.512 -2.854 -12.059 1.00 0.00 N ATOM 192 CA TYR A 27 -0.731 -3.568 -12.334 1.00 0.00 C ATOM 193 C TYR A 27 -1.427 -3.917 -11.026 1.00 0.00 C ATOM 194 O TYR A 27 -2.635 -3.730 -10.874 1.00 0.00 O ATOM 195 CB TYR A 27 -0.445 -4.842 -13.127 1.00 0.00 C ATOM 196 CG TYR A 27 -1.686 -5.627 -13.509 1.00 0.00 C ATOM 197 CD1 TYR A 27 -2.735 -5.027 -14.197 1.00 0.00 C ATOM 198 CD2 TYR A 27 -1.807 -6.972 -13.174 1.00 0.00 C ATOM 199 CE1 TYR A 27 -3.866 -5.745 -14.540 1.00 0.00 C ATOM 200 CE2 TYR A 27 -2.935 -7.694 -13.515 1.00 0.00 C ATOM 201 CZ TYR A 27 -3.960 -7.078 -14.198 1.00 0.00 C ATOM 202 OH TYR A 27 -5.087 -7.796 -14.539 1.00 0.00 O ATOM 0 H TYR A 27 1.351 -3.327 -12.393 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.382 -2.925 -12.926 1.00 0.00 H new ATOM 0 HB2 TYR A 27 0.098 -4.578 -14.034 1.00 0.00 H new ATOM 0 HB3 TYR A 27 0.211 -5.484 -12.538 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -2.665 -3.984 -14.468 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -1.006 -7.460 -12.639 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -4.672 -5.264 -15.074 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.012 -8.737 -13.247 1.00 0.00 H new ATOM 0 HH TYR A 27 -4.993 -8.720 -14.226 1.00 0.00 H new ATOM 212 N GLN A 28 -0.643 -4.412 -10.081 1.00 0.00 N ATOM 213 CA GLN A 28 -1.145 -4.780 -8.779 1.00 0.00 C ATOM 214 C GLN A 28 -1.622 -3.548 -8.021 1.00 0.00 C ATOM 215 O GLN A 28 -2.582 -3.616 -7.257 1.00 0.00 O ATOM 216 CB GLN A 28 -0.054 -5.507 -8.006 1.00 0.00 C ATOM 217 CG GLN A 28 0.051 -6.980 -8.363 1.00 0.00 C ATOM 218 CD GLN A 28 1.005 -7.744 -7.469 1.00 0.00 C ATOM 219 OE1 GLN A 28 1.989 -7.199 -6.971 1.00 0.00 O ATOM 220 NE2 GLN A 28 0.719 -9.020 -7.266 1.00 0.00 N ATOM 0 H GLN A 28 0.358 -4.567 -10.201 1.00 0.00 H new ATOM 0 HA GLN A 28 -1.999 -5.446 -8.897 1.00 0.00 H new ATOM 0 HB2 GLN A 28 0.904 -5.024 -8.200 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.249 -5.411 -6.938 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -0.938 -7.434 -8.300 1.00 0.00 H new ATOM 0 HG3 GLN A 28 0.379 -7.074 -9.398 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -0.108 -9.432 -7.698 1.00 0.00 H new ATOM 0 HE22 GLN A 28 1.325 -9.591 -6.677 1.00 0.00 H new ATOM 229 N THR A 29 -0.954 -2.420 -8.242 1.00 0.00 N ATOM 230 CA THR A 29 -1.333 -1.171 -7.595 1.00 0.00 C ATOM 231 C THR A 29 -2.683 -0.709 -8.134 1.00 0.00 C ATOM 232 O THR A 29 -3.542 -0.247 -7.383 1.00 0.00 O ATOM 233 CB THR A 29 -0.283 -0.062 -7.818 1.00 0.00 C ATOM 234 OG1 THR A 29 1.033 -0.573 -7.566 1.00 0.00 O ATOM 235 CG2 THR A 29 -0.547 1.127 -6.904 1.00 0.00 C ATOM 0 H THR A 29 -0.149 -2.346 -8.864 1.00 0.00 H new ATOM 0 HA THR A 29 -1.396 -1.358 -6.523 1.00 0.00 H new ATOM 0 HB THR A 29 -0.355 0.269 -8.854 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.310 -1.146 -8.311 1.00 0.00 H new ATOM 0 HG21 THR A 29 0.206 1.895 -7.080 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.536 1.534 -7.113 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.500 0.804 -5.864 1.00 0.00 H new ATOM 243 N LEU A 30 -2.865 -0.853 -9.446 1.00 0.00 N ATOM 244 CA LEU A 30 -4.116 -0.481 -10.093 1.00 0.00 C ATOM 245 C LEU A 30 -5.249 -1.327 -9.533 1.00 0.00 C ATOM 246 O LEU A 30 -6.344 -0.826 -9.263 1.00 0.00 O ATOM 247 CB LEU A 30 -4.026 -0.672 -11.612 1.00 0.00 C ATOM 248 CG LEU A 30 -2.906 0.105 -12.305 1.00 0.00 C ATOM 249 CD1 LEU A 30 -2.878 -0.216 -13.789 1.00 0.00 C ATOM 250 CD2 LEU A 30 -3.068 1.600 -12.084 1.00 0.00 C ATOM 0 H LEU A 30 -2.158 -1.226 -10.080 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.310 0.573 -9.893 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.892 -1.733 -11.820 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.977 -0.378 -12.055 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.956 -0.201 -11.867 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.075 0.345 -14.268 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.707 -1.284 -13.927 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.832 0.060 -14.239 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.260 2.132 -12.586 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.025 1.926 -12.491 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.035 1.816 -11.016 1.00 0.00 H new ATOM 262 N GLU A 31 -4.973 -2.613 -9.352 1.00 0.00 N ATOM 263 CA GLU A 31 -5.952 -3.535 -8.801 1.00 0.00 C ATOM 264 C GLU A 31 -6.248 -3.168 -7.350 1.00 0.00 C ATOM 265 O GLU A 31 -7.400 -3.171 -6.922 1.00 0.00 O ATOM 266 CB GLU A 31 -5.444 -4.973 -8.901 1.00 0.00 C ATOM 267 CG GLU A 31 -6.492 -6.015 -8.552 1.00 0.00 C ATOM 268 CD GLU A 31 -6.264 -7.327 -9.269 1.00 0.00 C ATOM 269 OE1 GLU A 31 -5.263 -8.004 -8.970 1.00 0.00 O ATOM 270 OE2 GLU A 31 -7.084 -7.681 -10.143 1.00 0.00 O ATOM 0 H GLU A 31 -4.075 -3.040 -9.581 1.00 0.00 H new ATOM 0 HA GLU A 31 -6.875 -3.460 -9.377 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.088 -5.154 -9.915 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.588 -5.094 -8.237 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.485 -6.187 -7.476 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.480 -5.632 -8.807 1.00 0.00 H new ATOM 277 N LEU A 32 -5.196 -2.841 -6.602 1.00 0.00 N ATOM 278 CA LEU A 32 -5.338 -2.446 -5.207 1.00 0.00 C ATOM 279 C LEU A 32 -6.212 -1.201 -5.101 1.00 0.00 C ATOM 280 O LEU A 32 -7.044 -1.091 -4.204 1.00 0.00 O ATOM 281 CB LEU A 32 -3.967 -2.181 -4.583 1.00 0.00 C ATOM 282 CG LEU A 32 -3.275 -3.407 -3.990 1.00 0.00 C ATOM 283 CD1 LEU A 32 -1.813 -3.103 -3.696 1.00 0.00 C ATOM 284 CD2 LEU A 32 -3.990 -3.855 -2.724 1.00 0.00 C ATOM 0 H LEU A 32 -4.234 -2.843 -6.942 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.815 -3.261 -4.663 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.317 -1.749 -5.344 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.081 -1.433 -3.799 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.318 -4.217 -4.719 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.335 -3.987 -3.274 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.307 -2.823 -4.620 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.749 -2.281 -2.983 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.486 -4.729 -2.312 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.973 -3.048 -1.992 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.023 -4.109 -2.960 1.00 0.00 H new ATOM 296 N GLU A 33 -6.016 -0.273 -6.034 1.00 0.00 N ATOM 297 CA GLU A 33 -6.786 0.956 -6.088 1.00 0.00 C ATOM 298 C GLU A 33 -8.258 0.635 -6.303 1.00 0.00 C ATOM 299 O GLU A 33 -9.146 1.187 -5.649 1.00 0.00 O ATOM 300 CB GLU A 33 -6.271 1.807 -7.240 1.00 0.00 C ATOM 301 CG GLU A 33 -5.574 3.078 -6.805 1.00 0.00 C ATOM 302 CD GLU A 33 -6.523 4.096 -6.210 1.00 0.00 C ATOM 303 OE1 GLU A 33 -7.064 4.926 -6.974 1.00 0.00 O ATOM 304 OE2 GLU A 33 -6.717 4.086 -4.982 1.00 0.00 O ATOM 0 H GLU A 33 -5.317 -0.357 -6.772 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.679 1.500 -5.149 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.580 1.212 -7.837 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -7.108 2.068 -7.888 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.806 2.832 -6.071 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.066 3.520 -7.662 1.00 0.00 H new ATOM 311 N LYS A 34 -8.492 -0.273 -7.239 1.00 0.00 N ATOM 312 CA LYS A 34 -9.834 -0.729 -7.576 1.00 0.00 C ATOM 313 C LYS A 34 -10.518 -1.329 -6.347 1.00 0.00 C ATOM 314 O LYS A 34 -11.731 -1.201 -6.169 1.00 0.00 O ATOM 315 CB LYS A 34 -9.750 -1.763 -8.702 1.00 0.00 C ATOM 316 CG LYS A 34 -11.058 -2.002 -9.430 1.00 0.00 C ATOM 317 CD LYS A 34 -10.845 -2.877 -10.654 1.00 0.00 C ATOM 318 CE LYS A 34 -12.153 -3.205 -11.352 1.00 0.00 C ATOM 319 NZ LYS A 34 -11.946 -4.111 -12.512 1.00 0.00 N ATOM 0 H LYS A 34 -7.755 -0.716 -7.788 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.429 0.120 -7.913 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.001 -1.437 -9.423 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.402 -2.708 -8.286 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.772 -2.478 -8.757 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.491 -1.048 -9.731 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.179 -2.369 -11.352 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.350 -3.802 -10.357 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.836 -3.672 -10.643 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.626 -2.283 -11.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.861 -4.312 -12.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.314 -3.655 -13.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.518 -5.001 -12.185 1.00 0.00 H new ATOM 333 N GLU A 35 -9.732 -1.993 -5.506 1.00 0.00 N ATOM 334 CA GLU A 35 -10.253 -2.592 -4.281 1.00 0.00 C ATOM 335 C GLU A 35 -10.474 -1.513 -3.227 1.00 0.00 C ATOM 336 O GLU A 35 -11.463 -1.537 -2.500 1.00 0.00 O ATOM 337 CB GLU A 35 -9.286 -3.648 -3.740 1.00 0.00 C ATOM 338 CG GLU A 35 -8.957 -4.746 -4.737 1.00 0.00 C ATOM 339 CD GLU A 35 -10.066 -5.762 -4.875 1.00 0.00 C ATOM 340 OE1 GLU A 35 -11.148 -5.408 -5.391 1.00 0.00 O ATOM 341 OE2 GLU A 35 -9.860 -6.927 -4.473 1.00 0.00 O ATOM 0 H GLU A 35 -8.732 -2.130 -5.650 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.203 -3.074 -4.513 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.361 -3.158 -3.435 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.718 -4.099 -2.846 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.757 -4.299 -5.711 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.043 -5.252 -4.425 1.00 0.00 H new ATOM 348 N PHE A 36 -9.537 -0.573 -3.163 1.00 0.00 N ATOM 349 CA PHE A 36 -9.590 0.534 -2.213 1.00 0.00 C ATOM 350 C PHE A 36 -10.881 1.332 -2.366 1.00 0.00 C ATOM 351 O PHE A 36 -11.597 1.583 -1.398 1.00 0.00 O ATOM 352 CB PHE A 36 -8.373 1.448 -2.427 1.00 0.00 C ATOM 353 CG PHE A 36 -8.373 2.690 -1.578 1.00 0.00 C ATOM 354 CD1 PHE A 36 -8.865 2.655 -0.289 1.00 0.00 C ATOM 355 CD2 PHE A 36 -7.880 3.885 -2.072 1.00 0.00 C ATOM 356 CE1 PHE A 36 -8.868 3.787 0.501 1.00 0.00 C ATOM 357 CE2 PHE A 36 -7.878 5.024 -1.288 1.00 0.00 C ATOM 358 CZ PHE A 36 -8.372 4.974 0.001 1.00 0.00 C ATOM 0 H PHE A 36 -8.717 -0.557 -3.770 1.00 0.00 H new ATOM 0 HA PHE A 36 -9.569 0.126 -1.202 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -7.466 0.880 -2.219 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -8.333 1.740 -3.476 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -9.253 1.728 0.107 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.493 3.928 -3.079 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -9.257 3.744 1.507 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.491 5.952 -1.683 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.370 5.862 0.616 1.00 0.00 H new ATOM 368 N LEU A 37 -11.162 1.724 -3.589 1.00 0.00 N ATOM 369 CA LEU A 37 -12.357 2.495 -3.898 1.00 0.00 C ATOM 370 C LEU A 37 -13.613 1.692 -3.582 1.00 0.00 C ATOM 371 O LEU A 37 -14.571 2.206 -3.001 1.00 0.00 O ATOM 372 CB LEU A 37 -12.350 2.901 -5.371 1.00 0.00 C ATOM 373 CG LEU A 37 -11.215 3.843 -5.781 1.00 0.00 C ATOM 374 CD1 LEU A 37 -11.229 4.073 -7.283 1.00 0.00 C ATOM 375 CD2 LEU A 37 -11.326 5.165 -5.041 1.00 0.00 C ATOM 0 H LEU A 37 -10.575 1.521 -4.398 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.359 3.393 -3.280 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.290 1.999 -5.980 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.301 3.380 -5.604 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.268 3.376 -5.512 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.415 4.745 -7.556 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.101 3.121 -7.798 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.180 4.518 -7.574 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -10.511 5.822 -5.345 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -12.280 5.636 -5.279 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -11.267 4.987 -3.967 1.00 0.00 H new ATOM 387 N PHE A 38 -13.582 0.426 -3.954 1.00 0.00 N ATOM 388 CA PHE A 38 -14.696 -0.483 -3.732 1.00 0.00 C ATOM 389 C PHE A 38 -14.954 -0.672 -2.244 1.00 0.00 C ATOM 390 O PHE A 38 -16.088 -0.547 -1.771 1.00 0.00 O ATOM 391 CB PHE A 38 -14.382 -1.834 -4.366 1.00 0.00 C ATOM 392 CG PHE A 38 -15.561 -2.499 -5.014 1.00 0.00 C ATOM 393 CD1 PHE A 38 -16.453 -3.247 -4.262 1.00 0.00 C ATOM 394 CD2 PHE A 38 -15.776 -2.378 -6.375 1.00 0.00 C ATOM 395 CE1 PHE A 38 -17.535 -3.863 -4.857 1.00 0.00 C ATOM 396 CE2 PHE A 38 -16.857 -2.992 -6.978 1.00 0.00 C ATOM 397 CZ PHE A 38 -17.739 -3.734 -6.217 1.00 0.00 C ATOM 0 H PHE A 38 -12.783 -0.004 -4.420 1.00 0.00 H new ATOM 0 HA PHE A 38 -15.589 -0.054 -4.188 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -13.600 -1.699 -5.113 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -13.981 -2.498 -3.600 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -16.300 -3.349 -3.198 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -15.091 -1.796 -6.974 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -18.221 -4.445 -4.260 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -17.012 -2.892 -8.042 1.00 0.00 H new ATOM 0 HZ PHE A 38 -18.587 -4.213 -6.685 1.00 0.00 H new ATOM 407 N ASN A 39 -13.890 -0.966 -1.520 1.00 0.00 N ATOM 408 CA ASN A 39 -13.970 -1.188 -0.084 1.00 0.00 C ATOM 409 C ASN A 39 -12.721 -0.679 0.631 1.00 0.00 C ATOM 410 O ASN A 39 -11.741 -1.407 0.781 1.00 0.00 O ATOM 411 CB ASN A 39 -14.180 -2.679 0.235 1.00 0.00 C ATOM 412 CG ASN A 39 -13.469 -3.620 -0.731 1.00 0.00 C ATOM 413 OD1 ASN A 39 -14.074 -4.125 -1.682 1.00 0.00 O ATOM 414 ND2 ASN A 39 -12.186 -3.854 -0.508 1.00 0.00 N ATOM 0 H ASN A 39 -12.950 -1.058 -1.906 1.00 0.00 H new ATOM 0 HA ASN A 39 -14.830 -0.625 0.279 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -13.827 -2.878 1.247 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -15.248 -2.897 0.221 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -11.664 -4.469 -1.132 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -11.719 -3.419 0.288 1.00 0.00 H new ATOM 421 N MET A 40 -12.765 0.576 1.066 1.00 0.00 N ATOM 422 CA MET A 40 -11.655 1.183 1.774 1.00 0.00 C ATOM 423 C MET A 40 -11.501 0.562 3.158 1.00 0.00 C ATOM 424 O MET A 40 -10.405 0.507 3.718 1.00 0.00 O ATOM 425 CB MET A 40 -11.880 2.690 1.884 1.00 0.00 C ATOM 426 CG MET A 40 -13.032 3.094 2.789 1.00 0.00 C ATOM 427 SD MET A 40 -13.302 4.877 2.812 1.00 0.00 S ATOM 428 CE MET A 40 -14.555 5.023 4.084 1.00 0.00 C ATOM 0 H MET A 40 -13.567 1.193 0.937 1.00 0.00 H new ATOM 0 HA MET A 40 -10.736 1.001 1.218 1.00 0.00 H new ATOM 0 HB2 MET A 40 -10.966 3.155 2.253 1.00 0.00 H new ATOM 0 HB3 MET A 40 -12.061 3.091 0.887 1.00 0.00 H new ATOM 0 HG2 MET A 40 -13.943 2.596 2.456 1.00 0.00 H new ATOM 0 HG3 MET A 40 -12.832 2.747 3.803 1.00 0.00 H new ATOM 0 HE1 MET A 40 -14.824 6.072 4.211 1.00 0.00 H new ATOM 0 HE2 MET A 40 -15.438 4.455 3.792 1.00 0.00 H new ATOM 0 HE3 MET A 40 -14.166 4.632 5.024 1.00 0.00 H new ATOM 438 N TYR A 41 -12.615 0.101 3.700 1.00 0.00 N ATOM 439 CA TYR A 41 -12.640 -0.531 4.995 1.00 0.00 C ATOM 440 C TYR A 41 -12.404 -2.030 4.859 1.00 0.00 C ATOM 441 O TYR A 41 -13.026 -2.696 4.031 1.00 0.00 O ATOM 442 CB TYR A 41 -13.982 -0.266 5.669 1.00 0.00 C ATOM 443 CG TYR A 41 -15.105 0.100 4.719 1.00 0.00 C ATOM 444 CD1 TYR A 41 -15.715 -0.862 3.924 1.00 0.00 C ATOM 445 CD2 TYR A 41 -15.559 1.410 4.625 1.00 0.00 C ATOM 446 CE1 TYR A 41 -16.743 -0.529 3.063 1.00 0.00 C ATOM 447 CE2 TYR A 41 -16.589 1.747 3.769 1.00 0.00 C ATOM 448 CZ TYR A 41 -17.176 0.776 2.989 1.00 0.00 C ATOM 449 OH TYR A 41 -18.213 1.105 2.142 1.00 0.00 O ATOM 0 H TYR A 41 -13.527 0.158 3.248 1.00 0.00 H new ATOM 0 HA TYR A 41 -11.843 -0.113 5.610 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -14.273 -1.154 6.230 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -13.858 0.541 6.391 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -15.380 -1.887 3.980 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -15.099 2.177 5.231 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -17.205 -1.289 2.451 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -16.933 2.769 3.712 1.00 0.00 H new ATOM 0 HH TYR A 41 -18.398 2.065 2.209 1.00 0.00 H new ATOM 459 N LEU A 42 -11.496 -2.557 5.661 1.00 0.00 N ATOM 460 CA LEU A 42 -11.180 -3.964 5.631 1.00 0.00 C ATOM 461 C LEU A 42 -11.083 -4.512 7.036 1.00 0.00 C ATOM 462 O LEU A 42 -11.065 -3.763 8.011 1.00 0.00 O ATOM 463 CB LEU A 42 -9.854 -4.213 4.914 1.00 0.00 C ATOM 464 CG LEU A 42 -9.906 -4.193 3.387 1.00 0.00 C ATOM 465 CD1 LEU A 42 -9.706 -2.785 2.865 1.00 0.00 C ATOM 466 CD2 LEU A 42 -8.858 -5.128 2.806 1.00 0.00 C ATOM 0 H LEU A 42 -10.963 -2.021 6.346 1.00 0.00 H new ATOM 0 HA LEU A 42 -11.981 -4.469 5.091 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.138 -3.460 5.244 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.467 -5.181 5.232 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.891 -4.540 3.073 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -9.746 -2.792 1.776 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -10.492 -2.138 3.253 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.735 -2.411 3.190 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.910 -5.101 1.718 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.867 -4.810 3.130 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.045 -6.144 3.153 1.00 0.00 H new ATOM 478 N THR A 43 -11.006 -5.817 7.113 1.00 0.00 N ATOM 479 CA THR A 43 -10.892 -6.524 8.372 1.00 0.00 C ATOM 480 C THR A 43 -9.583 -7.304 8.391 1.00 0.00 C ATOM 481 O THR A 43 -8.862 -7.315 7.391 1.00 0.00 O ATOM 482 CB THR A 43 -12.076 -7.490 8.551 1.00 0.00 C ATOM 483 OG1 THR A 43 -12.613 -7.827 7.264 1.00 0.00 O ATOM 484 CG2 THR A 43 -13.161 -6.868 9.415 1.00 0.00 C ATOM 0 H THR A 43 -11.021 -6.428 6.297 1.00 0.00 H new ATOM 0 HA THR A 43 -10.904 -5.804 9.190 1.00 0.00 H new ATOM 0 HB THR A 43 -11.718 -8.390 9.051 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.366 -8.444 7.375 1.00 0.00 H new ATOM 0 HG21 THR A 43 -13.986 -7.572 9.526 1.00 0.00 H new ATOM 0 HG22 THR A 43 -12.752 -6.631 10.397 1.00 0.00 H new ATOM 0 HG23 THR A 43 -13.524 -5.955 8.943 1.00 0.00 H new ATOM 492 N ARG A 44 -9.274 -7.948 9.508 1.00 0.00 N ATOM 493 CA ARG A 44 -8.047 -8.727 9.622 1.00 0.00 C ATOM 494 C ARG A 44 -8.001 -9.821 8.562 1.00 0.00 C ATOM 495 O ARG A 44 -7.003 -9.981 7.859 1.00 0.00 O ATOM 496 CB ARG A 44 -7.928 -9.340 11.017 1.00 0.00 C ATOM 497 CG ARG A 44 -7.133 -8.486 11.988 1.00 0.00 C ATOM 498 CD ARG A 44 -5.665 -8.429 11.598 1.00 0.00 C ATOM 499 NE ARG A 44 -5.182 -7.056 11.476 1.00 0.00 N ATOM 500 CZ ARG A 44 -3.952 -6.729 11.088 1.00 0.00 C ATOM 501 NH1 ARG A 44 -3.079 -7.674 10.756 1.00 0.00 N ATOM 502 NH2 ARG A 44 -3.597 -5.452 11.028 1.00 0.00 N ATOM 0 H ARG A 44 -9.854 -7.947 10.347 1.00 0.00 H new ATOM 0 HA ARG A 44 -7.204 -8.055 9.462 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -8.928 -9.501 11.421 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -7.456 -10.319 10.936 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -7.545 -7.477 12.010 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -7.229 -8.892 12.995 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -5.071 -8.957 12.344 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.522 -8.949 10.651 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.828 -6.300 11.703 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.350 -8.656 10.798 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.138 -7.417 10.459 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.266 -4.724 11.279 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.655 -5.198 10.731 1.00 0.00 H new ATOM 516 N ASP A 45 -9.097 -10.555 8.437 1.00 0.00 N ATOM 517 CA ASP A 45 -9.189 -11.630 7.456 1.00 0.00 C ATOM 518 C ASP A 45 -9.136 -11.077 6.045 1.00 0.00 C ATOM 519 O ASP A 45 -8.348 -11.533 5.223 1.00 0.00 O ATOM 520 CB ASP A 45 -10.477 -12.430 7.639 1.00 0.00 C ATOM 521 CG ASP A 45 -10.573 -13.594 6.670 1.00 0.00 C ATOM 522 OD1 ASP A 45 -9.757 -14.536 6.784 1.00 0.00 O ATOM 523 OD2 ASP A 45 -11.459 -13.572 5.789 1.00 0.00 O ATOM 0 H ASP A 45 -9.936 -10.427 9.002 1.00 0.00 H new ATOM 0 HA ASP A 45 -8.337 -12.291 7.614 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -10.527 -12.806 8.661 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -11.334 -11.772 7.499 1.00 0.00 H new ATOM 528 N ARG A 46 -9.967 -10.082 5.782 1.00 0.00 N ATOM 529 CA ARG A 46 -10.024 -9.455 4.463 1.00 0.00 C ATOM 530 C ARG A 46 -8.662 -8.895 4.063 1.00 0.00 C ATOM 531 O ARG A 46 -8.240 -9.034 2.919 1.00 0.00 O ATOM 532 CB ARG A 46 -11.074 -8.342 4.439 1.00 0.00 C ATOM 533 CG ARG A 46 -11.401 -7.839 3.037 1.00 0.00 C ATOM 534 CD ARG A 46 -12.477 -6.762 3.065 1.00 0.00 C ATOM 535 NE ARG A 46 -13.702 -7.237 3.701 1.00 0.00 N ATOM 536 CZ ARG A 46 -14.627 -6.448 4.246 1.00 0.00 C ATOM 537 NH1 ARG A 46 -14.494 -5.125 4.220 1.00 0.00 N ATOM 538 NH2 ARG A 46 -15.691 -6.994 4.822 1.00 0.00 N ATOM 0 H ARG A 46 -10.615 -9.687 6.464 1.00 0.00 H new ATOM 0 HA ARG A 46 -10.307 -10.222 3.742 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.988 -8.707 4.907 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.719 -7.506 5.042 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.499 -7.441 2.573 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.736 -8.673 2.420 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -12.104 -5.889 3.601 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -12.697 -6.441 2.047 1.00 0.00 H new ATOM 0 HE ARG A 46 -13.861 -8.244 3.730 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -13.677 -4.703 3.779 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -15.209 -4.532 4.641 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -15.795 -8.008 4.844 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -16.405 -6.399 5.242 1.00 0.00 H new ATOM 552 N ARG A 47 -7.976 -8.275 5.016 1.00 0.00 N ATOM 553 CA ARG A 47 -6.660 -7.704 4.768 1.00 0.00 C ATOM 554 C ARG A 47 -5.673 -8.799 4.399 1.00 0.00 C ATOM 555 O ARG A 47 -4.925 -8.664 3.435 1.00 0.00 O ATOM 556 CB ARG A 47 -6.168 -6.946 6.004 1.00 0.00 C ATOM 557 CG ARG A 47 -5.071 -5.937 5.713 1.00 0.00 C ATOM 558 CD ARG A 47 -5.637 -4.640 5.152 1.00 0.00 C ATOM 559 NE ARG A 47 -6.440 -3.913 6.137 1.00 0.00 N ATOM 560 CZ ARG A 47 -6.874 -2.663 5.972 1.00 0.00 C ATOM 561 NH1 ARG A 47 -6.571 -1.989 4.870 1.00 0.00 N ATOM 562 NH2 ARG A 47 -7.610 -2.088 6.915 1.00 0.00 N ATOM 0 H ARG A 47 -8.312 -8.155 5.971 1.00 0.00 H new ATOM 0 HA ARG A 47 -6.736 -7.004 3.936 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.012 -6.428 6.460 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.801 -7.665 6.737 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.517 -5.727 6.628 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.363 -6.363 5.002 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -4.818 -4.005 4.814 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.250 -4.861 4.279 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.683 -4.393 7.004 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.004 -2.427 4.144 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -6.905 -1.033 4.749 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -7.843 -2.602 7.765 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.943 -1.132 6.790 1.00 0.00 H new ATOM 576 N TYR A 48 -5.690 -9.885 5.161 1.00 0.00 N ATOM 577 CA TYR A 48 -4.801 -11.009 4.904 1.00 0.00 C ATOM 578 C TYR A 48 -5.187 -11.713 3.605 1.00 0.00 C ATOM 579 O TYR A 48 -4.325 -12.191 2.867 1.00 0.00 O ATOM 580 CB TYR A 48 -4.835 -11.999 6.072 1.00 0.00 C ATOM 581 CG TYR A 48 -4.065 -13.274 5.809 1.00 0.00 C ATOM 582 CD1 TYR A 48 -2.692 -13.254 5.593 1.00 0.00 C ATOM 583 CD2 TYR A 48 -4.719 -14.498 5.766 1.00 0.00 C ATOM 584 CE1 TYR A 48 -1.994 -14.420 5.343 1.00 0.00 C ATOM 585 CE2 TYR A 48 -4.028 -15.664 5.517 1.00 0.00 C ATOM 586 CZ TYR A 48 -2.670 -15.622 5.306 1.00 0.00 C ATOM 587 OH TYR A 48 -1.980 -16.787 5.057 1.00 0.00 O ATOM 0 H TYR A 48 -6.310 -10.011 5.961 1.00 0.00 H new ATOM 0 HA TYR A 48 -3.786 -10.625 4.803 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -4.427 -11.515 6.959 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -5.872 -12.250 6.294 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -2.163 -12.313 5.621 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -5.786 -14.537 5.930 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -0.927 -14.391 5.178 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.552 -16.608 5.488 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.602 -17.544 5.066 1.00 0.00 H new ATOM 597 N GLU A 49 -6.483 -11.757 3.320 1.00 0.00 N ATOM 598 CA GLU A 49 -6.978 -12.404 2.115 1.00 0.00 C ATOM 599 C GLU A 49 -6.541 -11.628 0.888 1.00 0.00 C ATOM 600 O GLU A 49 -5.929 -12.191 -0.012 1.00 0.00 O ATOM 601 CB GLU A 49 -8.503 -12.528 2.157 1.00 0.00 C ATOM 602 CG GLU A 49 -9.043 -13.668 1.310 1.00 0.00 C ATOM 603 CD GLU A 49 -8.455 -15.008 1.700 1.00 0.00 C ATOM 604 OE1 GLU A 49 -8.761 -15.500 2.804 1.00 0.00 O ATOM 605 OE2 GLU A 49 -7.690 -15.582 0.897 1.00 0.00 O ATOM 0 H GLU A 49 -7.210 -11.351 3.909 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.556 -13.408 2.062 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.819 -12.672 3.190 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.945 -11.592 1.816 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.128 -13.708 1.409 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.826 -13.471 0.260 1.00 0.00 H new ATOM 612 N VAL A 50 -6.843 -10.335 0.864 1.00 0.00 N ATOM 613 CA VAL A 50 -6.450 -9.486 -0.253 1.00 0.00 C ATOM 614 C VAL A 50 -4.937 -9.555 -0.428 1.00 0.00 C ATOM 615 O VAL A 50 -4.422 -9.623 -1.548 1.00 0.00 O ATOM 616 CB VAL A 50 -6.890 -8.024 -0.025 1.00 0.00 C ATOM 617 CG1 VAL A 50 -6.275 -7.096 -1.060 1.00 0.00 C ATOM 618 CG2 VAL A 50 -8.408 -7.915 -0.049 1.00 0.00 C ATOM 0 H VAL A 50 -7.357 -9.854 1.602 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.944 -9.846 -1.155 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.532 -7.716 0.957 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.604 -6.074 -0.873 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.188 -7.146 -0.993 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.592 -7.402 -2.057 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.701 -6.878 0.113 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.782 -8.250 -1.016 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.830 -8.539 0.739 1.00 0.00 H new ATOM 628 N ALA A 51 -4.242 -9.560 0.702 1.00 0.00 N ATOM 629 CA ALA A 51 -2.792 -9.653 0.719 1.00 0.00 C ATOM 630 C ALA A 51 -2.314 -10.945 0.060 1.00 0.00 C ATOM 631 O ALA A 51 -1.445 -10.921 -0.816 1.00 0.00 O ATOM 632 CB ALA A 51 -2.290 -9.583 2.149 1.00 0.00 C ATOM 0 H ALA A 51 -4.667 -9.500 1.627 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.389 -8.815 0.150 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.202 -9.653 2.157 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.596 -8.637 2.596 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.711 -10.408 2.723 1.00 0.00 H new ATOM 638 N ARG A 52 -2.904 -12.066 0.475 1.00 0.00 N ATOM 639 CA ARG A 52 -2.545 -13.377 -0.048 1.00 0.00 C ATOM 640 C ARG A 52 -2.919 -13.492 -1.516 1.00 0.00 C ATOM 641 O ARG A 52 -2.185 -14.077 -2.317 1.00 0.00 O ATOM 642 CB ARG A 52 -3.274 -14.454 0.746 1.00 0.00 C ATOM 643 CG ARG A 52 -2.482 -15.741 0.918 1.00 0.00 C ATOM 644 CD ARG A 52 -1.175 -15.499 1.657 1.00 0.00 C ATOM 645 NE ARG A 52 -0.411 -16.732 1.845 1.00 0.00 N ATOM 646 CZ ARG A 52 0.868 -16.767 2.222 1.00 0.00 C ATOM 647 NH1 ARG A 52 1.528 -15.640 2.461 1.00 0.00 N ATOM 648 NH2 ARG A 52 1.491 -17.931 2.355 1.00 0.00 N ATOM 0 H ARG A 52 -3.641 -12.087 1.180 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.467 -13.508 0.048 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.523 -14.059 1.731 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -4.216 -14.683 0.247 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.082 -16.467 1.466 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -2.273 -16.174 -0.060 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.572 -14.781 1.101 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.386 -15.052 2.629 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.885 -17.619 1.678 1.00 0.00 H new ATOM 0 HH11 ARG A 52 1.057 -14.741 2.357 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.506 -15.673 2.749 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.992 -18.801 2.169 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.469 -17.956 2.643 1.00 0.00 H new ATOM 662 N VAL A 53 -4.084 -12.957 -1.844 1.00 0.00 N ATOM 663 CA VAL A 53 -4.591 -12.965 -3.213 1.00 0.00 C ATOM 664 C VAL A 53 -3.584 -12.349 -4.185 1.00 0.00 C ATOM 665 O VAL A 53 -3.401 -12.847 -5.297 1.00 0.00 O ATOM 666 CB VAL A 53 -5.944 -12.216 -3.314 1.00 0.00 C ATOM 667 CG1 VAL A 53 -6.269 -11.841 -4.754 1.00 0.00 C ATOM 668 CG2 VAL A 53 -7.064 -13.060 -2.730 1.00 0.00 C ATOM 0 H VAL A 53 -4.706 -12.505 -1.173 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.746 -14.008 -3.490 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.854 -11.295 -2.738 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -7.224 -11.317 -4.787 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.486 -11.192 -5.147 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -6.329 -12.745 -5.361 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.007 -12.519 -2.809 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.137 -13.998 -3.280 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.853 -13.269 -1.681 1.00 0.00 H new ATOM 678 N LEU A 54 -2.907 -11.289 -3.762 1.00 0.00 N ATOM 679 CA LEU A 54 -1.940 -10.635 -4.619 1.00 0.00 C ATOM 680 C LEU A 54 -0.542 -11.172 -4.355 1.00 0.00 C ATOM 681 O LEU A 54 -0.129 -12.168 -4.950 1.00 0.00 O ATOM 682 CB LEU A 54 -1.983 -9.120 -4.408 1.00 0.00 C ATOM 683 CG LEU A 54 -3.161 -8.408 -5.073 1.00 0.00 C ATOM 684 CD1 LEU A 54 -3.048 -6.907 -4.881 1.00 0.00 C ATOM 685 CD2 LEU A 54 -3.227 -8.754 -6.552 1.00 0.00 C ATOM 0 H LEU A 54 -3.012 -10.870 -2.838 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.197 -10.848 -5.657 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.014 -8.918 -3.337 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.056 -8.689 -4.787 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.082 -8.748 -4.600 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.894 -6.414 -5.360 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.049 -6.675 -3.816 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.120 -6.552 -5.329 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.072 -8.238 -7.009 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.304 -8.442 -7.040 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.353 -9.830 -6.669 1.00 0.00 H new ATOM 697 N ASN A 55 0.172 -10.519 -3.447 1.00 0.00 N ATOM 698 CA ASN A 55 1.532 -10.912 -3.088 1.00 0.00 C ATOM 699 C ASN A 55 2.040 -10.008 -1.972 1.00 0.00 C ATOM 700 O ASN A 55 3.226 -9.674 -1.907 1.00 0.00 O ATOM 701 CB ASN A 55 2.462 -10.810 -4.301 1.00 0.00 C ATOM 702 CG ASN A 55 3.672 -11.723 -4.197 1.00 0.00 C ATOM 703 OD1 ASN A 55 3.471 -12.937 -3.705 1.00 0.00 O flip ATOM 704 ND2 ASN A 55 4.779 -11.343 -4.572 1.00 0.00 N flip ATOM 0 H ASN A 55 -0.172 -9.704 -2.939 1.00 0.00 H new ATOM 0 HA ASN A 55 1.522 -11.948 -2.748 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.903 -11.058 -5.203 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.799 -9.779 -4.408 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.895 -10.401 -4.945 1.00 0.00 H new ATOM 0 HD22 ASN A 55 5.581 -11.970 -4.510 1.00 0.00 H new ATOM 711 N LEU A 56 1.131 -9.617 -1.089 1.00 0.00 N ATOM 712 CA LEU A 56 1.477 -8.736 0.021 1.00 0.00 C ATOM 713 C LEU A 56 1.094 -9.363 1.351 1.00 0.00 C ATOM 714 O LEU A 56 0.602 -10.487 1.403 1.00 0.00 O ATOM 715 CB LEU A 56 0.765 -7.381 -0.109 1.00 0.00 C ATOM 716 CG LEU A 56 1.240 -6.477 -1.252 1.00 0.00 C ATOM 717 CD1 LEU A 56 0.571 -6.858 -2.566 1.00 0.00 C ATOM 718 CD2 LEU A 56 0.955 -5.023 -0.916 1.00 0.00 C ATOM 0 H LEU A 56 0.150 -9.895 -1.119 1.00 0.00 H new ATOM 0 HA LEU A 56 2.556 -8.584 -0.013 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.302 -7.565 -0.238 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.884 -6.839 0.829 1.00 0.00 H new ATOM 0 HG LEU A 56 2.315 -6.611 -1.371 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.926 -6.200 -3.359 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.817 -7.891 -2.813 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.510 -6.756 -2.467 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.296 -4.387 -1.733 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.117 -4.886 -0.772 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.481 -4.751 -0.001 1.00 0.00 H new ATOM 730 N THR A 57 1.344 -8.629 2.419 1.00 0.00 N ATOM 731 CA THR A 57 0.990 -9.072 3.751 1.00 0.00 C ATOM 732 C THR A 57 -0.118 -8.178 4.280 1.00 0.00 C ATOM 733 O THR A 57 -0.470 -7.181 3.642 1.00 0.00 O ATOM 734 CB THR A 57 2.190 -9.010 4.713 1.00 0.00 C ATOM 735 OG1 THR A 57 2.703 -7.672 4.765 1.00 0.00 O ATOM 736 CG2 THR A 57 3.285 -9.964 4.275 1.00 0.00 C ATOM 0 H THR A 57 1.795 -7.715 2.387 1.00 0.00 H new ATOM 0 HA THR A 57 0.663 -10.110 3.692 1.00 0.00 H new ATOM 0 HB THR A 57 1.851 -9.308 5.705 1.00 0.00 H new ATOM 0 HG1 THR A 57 2.647 -7.336 5.684 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.122 -9.902 4.971 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.897 -10.983 4.264 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.624 -9.694 3.275 1.00 0.00 H new ATOM 744 N GLU A 58 -0.653 -8.512 5.441 1.00 0.00 N ATOM 745 CA GLU A 58 -1.714 -7.716 6.036 1.00 0.00 C ATOM 746 C GLU A 58 -1.198 -6.311 6.302 1.00 0.00 C ATOM 747 O GLU A 58 -1.912 -5.331 6.116 1.00 0.00 O ATOM 748 CB GLU A 58 -2.211 -8.350 7.336 1.00 0.00 C ATOM 749 CG GLU A 58 -2.279 -9.867 7.294 1.00 0.00 C ATOM 750 CD GLU A 58 -1.025 -10.516 7.834 1.00 0.00 C ATOM 751 OE1 GLU A 58 -0.002 -10.538 7.115 1.00 0.00 O ATOM 752 OE2 GLU A 58 -1.051 -10.996 8.984 1.00 0.00 O ATOM 0 H GLU A 58 -0.372 -9.325 5.989 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.553 -7.673 5.342 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.553 -8.048 8.151 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.202 -7.958 7.564 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.138 -10.205 7.873 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.439 -10.192 6.266 1.00 0.00 H new ATOM 759 N ARG A 59 0.061 -6.229 6.713 1.00 0.00 N ATOM 760 CA ARG A 59 0.693 -4.955 6.993 1.00 0.00 C ATOM 761 C ARG A 59 0.983 -4.201 5.704 1.00 0.00 C ATOM 762 O ARG A 59 0.749 -2.995 5.623 1.00 0.00 O ATOM 763 CB ARG A 59 1.986 -5.166 7.788 1.00 0.00 C ATOM 764 CG ARG A 59 2.722 -3.877 8.122 1.00 0.00 C ATOM 765 CD ARG A 59 4.118 -4.160 8.649 1.00 0.00 C ATOM 766 NE ARG A 59 4.918 -2.938 8.773 1.00 0.00 N ATOM 767 CZ ARG A 59 6.188 -2.917 9.182 1.00 0.00 C ATOM 768 NH1 ARG A 59 6.789 -4.038 9.570 1.00 0.00 N ATOM 769 NH2 ARG A 59 6.857 -1.771 9.218 1.00 0.00 N ATOM 0 H ARG A 59 0.665 -7.038 6.859 1.00 0.00 H new ATOM 0 HA ARG A 59 0.006 -4.357 7.592 1.00 0.00 H new ATOM 0 HB2 ARG A 59 1.750 -5.689 8.715 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.650 -5.815 7.217 1.00 0.00 H new ATOM 0 HG2 ARG A 59 2.787 -3.251 7.232 1.00 0.00 H new ATOM 0 HG3 ARG A 59 2.157 -3.315 8.866 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.046 -4.646 9.622 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.623 -4.857 7.981 1.00 0.00 H new ATOM 0 HE ARG A 59 4.477 -2.050 8.532 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.279 -4.921 9.556 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.760 -4.015 9.881 1.00 0.00 H new ATOM 0 HH21 ARG A 59 6.400 -0.905 8.933 1.00 0.00 H new ATOM 0 HH22 ARG A 59 7.828 -1.757 9.531 1.00 0.00 H new ATOM 783 N GLN A 60 1.461 -4.911 4.687 1.00 0.00 N ATOM 784 CA GLN A 60 1.773 -4.289 3.415 1.00 0.00 C ATOM 785 C GLN A 60 0.519 -3.692 2.790 1.00 0.00 C ATOM 786 O GLN A 60 0.558 -2.609 2.211 1.00 0.00 O ATOM 787 CB GLN A 60 2.424 -5.303 2.475 1.00 0.00 C ATOM 788 CG GLN A 60 3.905 -5.515 2.757 1.00 0.00 C ATOM 789 CD GLN A 60 4.423 -6.868 2.300 1.00 0.00 C ATOM 790 OE1 GLN A 60 3.875 -7.488 1.392 1.00 0.00 O ATOM 791 NE2 GLN A 60 5.500 -7.325 2.918 1.00 0.00 N ATOM 0 H GLN A 60 1.639 -5.915 4.723 1.00 0.00 H new ATOM 0 HA GLN A 60 2.482 -3.479 3.586 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.904 -6.257 2.563 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.301 -4.966 1.446 1.00 0.00 H new ATOM 0 HG2 GLN A 60 4.477 -4.730 2.262 1.00 0.00 H new ATOM 0 HG3 GLN A 60 4.081 -5.410 3.828 1.00 0.00 H new ATOM 0 HE21 GLN A 60 5.927 -6.781 3.668 1.00 0.00 H new ATOM 0 HE22 GLN A 60 5.903 -8.221 2.645 1.00 0.00 H new ATOM 800 N VAL A 61 -0.599 -4.391 2.930 1.00 0.00 N ATOM 801 CA VAL A 61 -1.863 -3.917 2.382 1.00 0.00 C ATOM 802 C VAL A 61 -2.452 -2.818 3.266 1.00 0.00 C ATOM 803 O VAL A 61 -2.961 -1.811 2.773 1.00 0.00 O ATOM 804 CB VAL A 61 -2.885 -5.066 2.226 1.00 0.00 C ATOM 805 CG1 VAL A 61 -4.232 -4.541 1.753 1.00 0.00 C ATOM 806 CG2 VAL A 61 -2.363 -6.115 1.260 1.00 0.00 C ATOM 0 H VAL A 61 -0.657 -5.286 3.417 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.655 -3.511 1.392 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.023 -5.526 3.205 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.931 -5.371 1.652 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.619 -3.827 2.479 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.112 -4.048 0.788 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.095 -6.916 1.162 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.192 -5.659 0.285 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.426 -6.524 1.638 1.00 0.00 H new ATOM 816 N LYS A 62 -2.361 -3.017 4.575 1.00 0.00 N ATOM 817 CA LYS A 62 -2.890 -2.065 5.546 1.00 0.00 C ATOM 818 C LYS A 62 -2.228 -0.703 5.408 1.00 0.00 C ATOM 819 O LYS A 62 -2.904 0.325 5.375 1.00 0.00 O ATOM 820 CB LYS A 62 -2.652 -2.584 6.960 1.00 0.00 C ATOM 821 CG LYS A 62 -3.703 -2.149 7.965 1.00 0.00 C ATOM 822 CD LYS A 62 -3.198 -2.297 9.392 1.00 0.00 C ATOM 823 CE LYS A 62 -1.833 -1.648 9.565 1.00 0.00 C ATOM 824 NZ LYS A 62 -1.482 -1.451 10.992 1.00 0.00 N ATOM 0 H LYS A 62 -1.921 -3.837 4.992 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.958 -1.956 5.355 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.618 -3.673 6.935 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.675 -2.242 7.301 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.978 -1.111 7.780 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -4.605 -2.746 7.832 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.909 -1.842 10.081 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.136 -3.354 9.650 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.075 -2.269 9.089 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.823 -0.685 9.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.544 -1.006 11.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.190 -0.837 11.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.465 -2.372 11.476 1.00 0.00 H new ATOM 838 N ILE A 63 -0.909 -0.710 5.314 1.00 0.00 N ATOM 839 CA ILE A 63 -0.147 0.525 5.191 1.00 0.00 C ATOM 840 C ILE A 63 -0.454 1.241 3.883 1.00 0.00 C ATOM 841 O ILE A 63 -0.657 2.455 3.875 1.00 0.00 O ATOM 842 CB ILE A 63 1.377 0.277 5.315 1.00 0.00 C ATOM 843 CG1 ILE A 63 1.724 -0.160 6.741 1.00 0.00 C ATOM 844 CG2 ILE A 63 2.167 1.526 4.939 1.00 0.00 C ATOM 845 CD1 ILE A 63 3.184 -0.508 6.932 1.00 0.00 C ATOM 0 H ILE A 63 -0.341 -1.557 5.320 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.455 1.165 6.018 1.00 0.00 H new ATOM 0 HB ILE A 63 1.651 -0.518 4.622 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.457 0.640 7.432 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.116 -1.025 7.005 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.234 1.324 5.035 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.941 1.803 3.909 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.891 2.345 5.604 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.354 -0.808 7.966 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.452 -1.329 6.267 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.799 0.362 6.701 1.00 0.00 H new ATOM 857 N TRP A 64 -0.500 0.498 2.783 1.00 0.00 N ATOM 858 CA TRP A 64 -0.800 1.098 1.492 1.00 0.00 C ATOM 859 C TRP A 64 -2.202 1.692 1.513 1.00 0.00 C ATOM 860 O TRP A 64 -2.426 2.811 1.048 1.00 0.00 O ATOM 861 CB TRP A 64 -0.686 0.071 0.363 1.00 0.00 C ATOM 862 CG TRP A 64 -0.852 0.683 -0.996 1.00 0.00 C ATOM 863 CD1 TRP A 64 0.120 1.270 -1.753 1.00 0.00 C ATOM 864 CD2 TRP A 64 -2.067 0.786 -1.754 1.00 0.00 C ATOM 865 NE1 TRP A 64 -0.411 1.732 -2.931 1.00 0.00 N ATOM 866 CE2 TRP A 64 -1.751 1.444 -2.958 1.00 0.00 C ATOM 867 CE3 TRP A 64 -3.393 0.389 -1.530 1.00 0.00 C ATOM 868 CZ2 TRP A 64 -2.707 1.709 -3.937 1.00 0.00 C ATOM 869 CZ3 TRP A 64 -4.340 0.651 -2.504 1.00 0.00 C ATOM 870 CH2 TRP A 64 -3.993 1.307 -3.692 1.00 0.00 C ATOM 0 H TRP A 64 -0.335 -0.508 2.760 1.00 0.00 H new ATOM 0 HA TRP A 64 -0.072 1.887 1.306 1.00 0.00 H new ATOM 0 HB2 TRP A 64 0.286 -0.419 0.420 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -1.441 -0.702 0.503 1.00 0.00 H new ATOM 0 HD1 TRP A 64 1.158 1.358 -1.466 1.00 0.00 H new ATOM 0 HE1 TRP A 64 0.107 2.212 -3.667 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -3.670 -0.112 -0.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -2.443 2.213 -4.855 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -5.364 0.345 -2.346 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.756 1.500 -4.431 1.00 0.00 H new ATOM 881 N PHE A 65 -3.137 0.942 2.078 1.00 0.00 N ATOM 882 CA PHE A 65 -4.517 1.374 2.164 1.00 0.00 C ATOM 883 C PHE A 65 -4.649 2.620 3.021 1.00 0.00 C ATOM 884 O PHE A 65 -5.422 3.527 2.706 1.00 0.00 O ATOM 885 CB PHE A 65 -5.380 0.249 2.719 1.00 0.00 C ATOM 886 CG PHE A 65 -6.234 -0.422 1.682 1.00 0.00 C ATOM 887 CD1 PHE A 65 -5.702 -1.398 0.855 1.00 0.00 C ATOM 888 CD2 PHE A 65 -7.567 -0.079 1.538 1.00 0.00 C ATOM 889 CE1 PHE A 65 -6.485 -2.019 -0.100 1.00 0.00 C ATOM 890 CE2 PHE A 65 -8.354 -0.697 0.586 1.00 0.00 C ATOM 891 CZ PHE A 65 -7.813 -1.668 -0.234 1.00 0.00 C ATOM 0 H PHE A 65 -2.959 0.024 2.486 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.862 1.624 1.161 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.735 -0.497 3.184 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.023 0.649 3.504 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.664 -1.677 0.958 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.996 0.679 2.176 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.058 -2.777 -0.740 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.393 -0.421 0.483 1.00 0.00 H new ATOM 0 HZ PHE A 65 -8.428 -2.152 -0.979 1.00 0.00 H new ATOM 901 N GLN A 66 -3.900 2.661 4.103 1.00 0.00 N ATOM 902 CA GLN A 66 -3.923 3.794 4.993 1.00 0.00 C ATOM 903 C GLN A 66 -3.251 4.989 4.339 1.00 0.00 C ATOM 904 O GLN A 66 -3.715 6.119 4.463 1.00 0.00 O ATOM 905 CB GLN A 66 -3.223 3.430 6.289 1.00 0.00 C ATOM 906 CG GLN A 66 -4.083 3.616 7.520 1.00 0.00 C ATOM 907 CD GLN A 66 -5.514 3.149 7.327 1.00 0.00 C ATOM 908 OE1 GLN A 66 -6.373 3.895 6.850 1.00 0.00 O ATOM 909 NE2 GLN A 66 -5.787 1.914 7.716 1.00 0.00 N ATOM 0 H GLN A 66 -3.264 1.915 4.385 1.00 0.00 H new ATOM 0 HA GLN A 66 -4.957 4.063 5.211 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -2.899 2.390 6.237 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -2.325 4.039 6.389 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -3.638 3.069 8.352 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -4.086 4.670 7.797 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -5.049 1.327 8.106 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -6.735 1.549 7.626 1.00 0.00 H new ATOM 918 N ASN A 67 -2.175 4.721 3.613 1.00 0.00 N ATOM 919 CA ASN A 67 -1.427 5.752 2.929 1.00 0.00 C ATOM 920 C ASN A 67 -2.288 6.418 1.866 1.00 0.00 C ATOM 921 O ASN A 67 -2.334 7.644 1.769 1.00 0.00 O ATOM 922 CB ASN A 67 -0.191 5.130 2.301 1.00 0.00 C ATOM 923 CG ASN A 67 1.082 5.497 3.031 1.00 0.00 C ATOM 924 OD1 ASN A 67 1.732 6.489 2.712 1.00 0.00 O ATOM 925 ND2 ASN A 67 1.442 4.699 4.020 1.00 0.00 N ATOM 0 H ASN A 67 -1.800 3.781 3.485 1.00 0.00 H new ATOM 0 HA ASN A 67 -1.125 6.518 3.644 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -0.300 4.045 2.292 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -0.115 5.452 1.262 1.00 0.00 H new ATOM 0 HD21 ASN A 67 2.289 4.897 4.552 1.00 0.00 H new ATOM 0 HD22 ASN A 67 0.872 3.885 4.252 1.00 0.00 H new ATOM 932 N ARG A 68 -2.985 5.600 1.084 1.00 0.00 N ATOM 933 CA ARG A 68 -3.857 6.094 0.038 1.00 0.00 C ATOM 934 C ARG A 68 -4.966 6.955 0.635 1.00 0.00 C ATOM 935 O ARG A 68 -5.337 7.990 0.080 1.00 0.00 O ATOM 936 CB ARG A 68 -4.454 4.913 -0.721 1.00 0.00 C ATOM 937 CG ARG A 68 -3.690 4.539 -1.978 1.00 0.00 C ATOM 938 CD ARG A 68 -3.733 5.649 -3.013 1.00 0.00 C ATOM 939 NE ARG A 68 -5.041 5.760 -3.654 1.00 0.00 N ATOM 940 CZ ARG A 68 -5.626 6.915 -3.964 1.00 0.00 C ATOM 941 NH1 ARG A 68 -4.998 8.067 -3.752 1.00 0.00 N ATOM 942 NH2 ARG A 68 -6.825 6.908 -4.530 1.00 0.00 N ATOM 0 H ARG A 68 -2.958 4.583 1.161 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.279 6.710 -0.651 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -4.489 4.048 -0.058 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.483 5.150 -0.990 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -2.653 4.320 -1.722 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.112 3.629 -2.403 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.483 6.597 -2.536 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -2.973 5.464 -3.772 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.538 4.898 -3.878 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.061 8.070 -3.349 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.453 8.948 -3.992 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.292 6.022 -4.725 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.280 7.788 -4.771 1.00 0.00 H new ATOM 956 N ARG A 69 -5.474 6.525 1.783 1.00 0.00 N ATOM 957 CA ARG A 69 -6.532 7.249 2.471 1.00 0.00 C ATOM 958 C ARG A 69 -5.992 8.550 3.059 1.00 0.00 C ATOM 959 O ARG A 69 -6.626 9.600 2.959 1.00 0.00 O ATOM 960 CB ARG A 69 -7.139 6.381 3.576 1.00 0.00 C ATOM 961 CG ARG A 69 -8.452 6.920 4.127 1.00 0.00 C ATOM 962 CD ARG A 69 -9.613 5.986 3.812 1.00 0.00 C ATOM 963 NE ARG A 69 -9.550 4.749 4.592 1.00 0.00 N ATOM 964 CZ ARG A 69 -10.430 4.413 5.532 1.00 0.00 C ATOM 965 NH1 ARG A 69 -11.446 5.222 5.810 1.00 0.00 N ATOM 966 NH2 ARG A 69 -10.291 3.263 6.189 1.00 0.00 N ATOM 0 H ARG A 69 -5.168 5.675 2.258 1.00 0.00 H new ATOM 0 HA ARG A 69 -7.312 7.491 1.749 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -7.304 5.376 3.187 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.422 6.293 4.392 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -8.370 7.049 5.206 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.650 7.904 3.702 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -10.554 6.496 4.017 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -9.606 5.745 2.749 1.00 0.00 H new ATOM 0 HE ARG A 69 -8.783 4.104 4.403 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -11.552 6.101 5.303 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -12.121 4.965 6.530 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -9.511 2.642 5.971 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -10.964 3.003 6.910 1.00 0.00 H new