USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 402 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 25 TYR OH : rot 130:sc= -0.61 USER MOD Set 1.2: A 29 ASN : amide:sc= -1.81! C(o=-2.4!,f=-2.9!) USER MOD Single : A 15 LYS NZ :NH3+ -115:sc= -0.253 (180deg=-1.83!) USER MOD Single : A 16 HIS : no HD1:sc= -0.0174 X(o=-0.017,f=0) USER MOD Single : A 17 HIS : no HD1:sc= -9.33! K(o=-9.3!,f=-6.4) USER MOD Single : A 18 GLN : amide:sc= -4.3! C(o=-4.3!,f=-4!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl 161:sc= 0 (180deg=-0.164) USER MOD Single : A 23 LYS NZ :NH3+ -153:sc= -0.422 (180deg=-1.56!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-0.13) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.157) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 42 GLN : amide:sc= -0.109 K(o=-0.11,f=-2.1!) USER MOD Single : A 43 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0655) USER MOD Single : A 44 THR OG1 : rot -67:sc= 0.836 USER MOD Single : A 47 THR OG1 : rot 180:sc= -1.64! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= 0.0832 X(o=0.083,f=0) USER MOD ----------------------------------------------------------------- ATOM 178 N PHE A 14 -12.551 -1.359 -0.606 1.00 0.00 N ATOM 179 CA PHE A 14 -11.961 -1.869 0.627 1.00 0.00 C ATOM 180 C PHE A 14 -12.611 -1.225 1.847 1.00 0.00 C ATOM 181 O PHE A 14 -13.110 -0.101 1.779 1.00 0.00 O ATOM 182 CB PHE A 14 -10.454 -1.611 0.640 1.00 0.00 C ATOM 183 CG PHE A 14 -9.732 -2.209 -0.533 1.00 0.00 C ATOM 184 CD1 PHE A 14 -9.515 -3.575 -0.607 1.00 0.00 C ATOM 185 CD2 PHE A 14 -9.270 -1.404 -1.562 1.00 0.00 C ATOM 186 CE1 PHE A 14 -8.852 -4.129 -1.686 1.00 0.00 C ATOM 187 CE2 PHE A 14 -8.605 -1.953 -2.644 1.00 0.00 C ATOM 188 CZ PHE A 14 -8.396 -3.316 -2.706 1.00 0.00 C ATOM 0 HA PHE A 14 -12.138 -2.944 0.669 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -10.278 -0.535 0.655 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -10.032 -2.015 1.560 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -9.868 -4.215 0.188 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -9.431 -0.337 -1.519 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -8.691 -5.196 -1.732 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -8.250 -1.315 -3.440 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.877 -3.746 -3.550 1.00 0.00 H new ATOM 198 N LYS A 15 -12.601 -1.944 2.964 1.00 0.00 N ATOM 199 CA LYS A 15 -13.187 -1.444 4.202 1.00 0.00 C ATOM 200 C LYS A 15 -12.220 -0.512 4.924 1.00 0.00 C ATOM 201 O LYS A 15 -11.111 -0.262 4.450 1.00 0.00 O ATOM 202 CB LYS A 15 -13.568 -2.610 5.117 1.00 0.00 C ATOM 203 CG LYS A 15 -14.129 -3.810 4.373 1.00 0.00 C ATOM 204 CD LYS A 15 -15.437 -3.472 3.677 1.00 0.00 C ATOM 205 CE LYS A 15 -16.613 -3.533 4.640 1.00 0.00 C ATOM 206 NZ LYS A 15 -16.814 -2.241 5.351 1.00 0.00 N ATOM 0 H LYS A 15 -12.193 -2.876 3.037 1.00 0.00 H new ATOM 0 HA LYS A 15 -14.085 -0.881 3.948 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.688 -2.921 5.680 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -14.305 -2.266 5.842 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.403 -4.155 3.637 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.289 -4.631 5.072 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -15.372 -2.474 3.243 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.603 -4.167 2.854 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -17.519 -3.790 4.091 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -16.445 -4.326 5.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -16.639 -2.373 6.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -16.153 -1.532 4.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -17.791 -1.914 5.208 1.00 0.00 H new ATOM 220 N HIS A 16 -12.645 -0.002 6.076 1.00 0.00 N ATOM 221 CA HIS A 16 -11.816 0.902 6.865 1.00 0.00 C ATOM 222 C HIS A 16 -10.975 0.125 7.874 1.00 0.00 C ATOM 223 O HIS A 16 -9.793 0.414 8.065 1.00 0.00 O ATOM 224 CB HIS A 16 -12.688 1.925 7.592 1.00 0.00 C ATOM 225 CG HIS A 16 -11.916 3.079 8.154 1.00 0.00 C ATOM 226 ND1 HIS A 16 -12.147 3.600 9.409 1.00 0.00 N ATOM 227 CD2 HIS A 16 -10.910 3.813 7.623 1.00 0.00 C ATOM 228 CE1 HIS A 16 -11.317 4.606 9.626 1.00 0.00 C ATOM 229 NE2 HIS A 16 -10.555 4.755 8.557 1.00 0.00 N ATOM 0 H HIS A 16 -13.559 -0.200 6.484 1.00 0.00 H new ATOM 0 HA HIS A 16 -11.145 1.427 6.185 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -13.441 2.304 6.901 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -13.221 1.426 8.402 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -10.469 3.682 6.646 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -11.270 5.204 10.524 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -9.822 5.456 8.444 1.00 0.00 H new ATOM 238 N HIS A 17 -11.592 -0.861 8.517 1.00 0.00 N ATOM 239 CA HIS A 17 -10.900 -1.679 9.507 1.00 0.00 C ATOM 240 C HIS A 17 -9.648 -2.313 8.907 1.00 0.00 C ATOM 241 O HIS A 17 -8.549 -2.160 9.440 1.00 0.00 O ATOM 242 CB HIS A 17 -11.831 -2.768 10.040 1.00 0.00 C ATOM 243 CG HIS A 17 -12.519 -3.549 8.963 1.00 0.00 C ATOM 244 ND1 HIS A 17 -13.740 -3.187 8.434 1.00 0.00 N ATOM 245 CD2 HIS A 17 -12.149 -4.679 8.314 1.00 0.00 C ATOM 246 CE1 HIS A 17 -14.091 -4.061 7.508 1.00 0.00 C ATOM 247 NE2 HIS A 17 -13.144 -4.975 7.416 1.00 0.00 N ATOM 0 H HIS A 17 -12.569 -1.113 8.370 1.00 0.00 H new ATOM 0 HA HIS A 17 -10.600 -1.032 10.332 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -11.256 -3.453 10.663 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -12.583 -2.309 10.681 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -11.241 -5.242 8.473 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -15.000 -4.032 6.925 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -13.150 -5.773 6.780 1.00 0.00 H new ATOM 256 N GLN A 18 -9.823 -3.024 7.798 1.00 0.00 N ATOM 257 CA GLN A 18 -8.707 -3.682 7.129 1.00 0.00 C ATOM 258 C GLN A 18 -7.695 -2.658 6.626 1.00 0.00 C ATOM 259 O GLN A 18 -6.493 -2.790 6.862 1.00 0.00 O ATOM 260 CB GLN A 18 -9.214 -4.531 5.962 1.00 0.00 C ATOM 261 CG GLN A 18 -10.470 -3.980 5.309 1.00 0.00 C ATOM 262 CD GLN A 18 -10.560 -4.323 3.835 1.00 0.00 C ATOM 263 OE1 GLN A 18 -11.384 -5.142 3.425 1.00 0.00 O ATOM 264 NE2 GLN A 18 -9.711 -3.696 3.028 1.00 0.00 N ATOM 0 H GLN A 18 -10.726 -3.159 7.344 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.212 -4.330 7.853 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -8.428 -4.607 5.211 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.413 -5.542 6.319 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -11.346 -4.375 5.824 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -10.491 -2.897 5.428 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.045 -3.025 3.411 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -9.725 -3.886 2.026 1.00 0.00 H new ATOM 273 N LEU A 19 -8.187 -1.639 5.931 1.00 0.00 N ATOM 274 CA LEU A 19 -7.325 -0.592 5.393 1.00 0.00 C ATOM 275 C LEU A 19 -6.558 0.109 6.511 1.00 0.00 C ATOM 276 O LEU A 19 -5.423 0.546 6.319 1.00 0.00 O ATOM 277 CB LEU A 19 -8.155 0.429 4.612 1.00 0.00 C ATOM 278 CG LEU A 19 -8.344 0.139 3.122 1.00 0.00 C ATOM 279 CD1 LEU A 19 -9.195 1.219 2.473 1.00 0.00 C ATOM 280 CD2 LEU A 19 -6.995 0.029 2.425 1.00 0.00 C ATOM 0 H LEU A 19 -9.179 -1.515 5.726 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.606 -1.058 4.719 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.139 0.499 5.076 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.683 1.406 4.715 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.862 -0.814 3.019 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -9.319 0.997 1.413 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -10.173 1.250 2.954 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.704 2.186 2.586 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.148 -0.178 1.366 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.450 0.966 2.537 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.419 -0.781 2.873 1.00 0.00 H new ATOM 292 N ARG A 20 -7.185 0.211 7.678 1.00 0.00 N ATOM 293 CA ARG A 20 -6.561 0.858 8.826 1.00 0.00 C ATOM 294 C ARG A 20 -5.248 0.170 9.190 1.00 0.00 C ATOM 295 O ARG A 20 -4.258 0.829 9.511 1.00 0.00 O ATOM 296 CB ARG A 20 -7.509 0.837 10.027 1.00 0.00 C ATOM 297 CG ARG A 20 -6.813 1.077 11.357 1.00 0.00 C ATOM 298 CD ARG A 20 -7.773 1.631 12.397 1.00 0.00 C ATOM 299 NE ARG A 20 -7.118 1.854 13.683 1.00 0.00 N ATOM 300 CZ ARG A 20 -7.665 2.546 14.676 1.00 0.00 C ATOM 301 NH1 ARG A 20 -8.871 3.078 14.532 1.00 0.00 N ATOM 302 NH2 ARG A 20 -7.006 2.706 15.817 1.00 0.00 N ATOM 0 H ARG A 20 -8.124 -0.146 7.854 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.348 1.893 8.557 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.277 1.597 9.886 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.017 -0.127 10.061 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.384 0.142 11.718 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.987 1.774 11.216 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.195 2.570 12.037 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.604 0.938 12.529 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.190 1.457 13.827 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.381 2.956 13.657 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.289 3.609 15.296 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.079 2.297 15.932 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.427 3.238 16.579 1.00 0.00 H new ATOM 316 N THR A 21 -5.247 -1.158 9.138 1.00 0.00 N ATOM 317 CA THR A 21 -4.057 -1.934 9.463 1.00 0.00 C ATOM 318 C THR A 21 -3.038 -1.880 8.330 1.00 0.00 C ATOM 319 O THR A 21 -1.832 -1.917 8.567 1.00 0.00 O ATOM 320 CB THR A 21 -4.408 -3.406 9.752 1.00 0.00 C ATOM 321 OG1 THR A 21 -5.165 -3.500 10.964 1.00 0.00 O ATOM 322 CG2 THR A 21 -3.148 -4.250 9.869 1.00 0.00 C ATOM 0 H THR A 21 -6.057 -1.719 8.874 1.00 0.00 H new ATOM 0 HA THR A 21 -3.624 -1.488 10.359 1.00 0.00 H new ATOM 0 HB THR A 21 -5.004 -3.784 8.921 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.386 -4.438 11.140 1.00 0.00 H new ATOM 0 HG21 THR A 21 -3.421 -5.285 10.073 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.588 -4.200 8.935 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.530 -3.871 10.683 1.00 0.00 H new ATOM 330 N MET A 22 -3.533 -1.791 7.100 1.00 0.00 N ATOM 331 CA MET A 22 -2.664 -1.729 5.930 1.00 0.00 C ATOM 332 C MET A 22 -2.049 -0.342 5.783 1.00 0.00 C ATOM 333 O MET A 22 -0.835 -0.174 5.902 1.00 0.00 O ATOM 334 CB MET A 22 -3.448 -2.089 4.667 1.00 0.00 C ATOM 335 CG MET A 22 -4.076 -3.473 4.715 1.00 0.00 C ATOM 336 SD MET A 22 -5.598 -3.579 3.752 1.00 0.00 S ATOM 337 CE MET A 22 -4.956 -3.415 2.088 1.00 0.00 C ATOM 0 H MET A 22 -4.530 -1.760 6.887 1.00 0.00 H new ATOM 0 HA MET A 22 -1.859 -2.451 6.067 1.00 0.00 H new ATOM 0 HB2 MET A 22 -4.233 -1.348 4.513 1.00 0.00 H new ATOM 0 HB3 MET A 22 -2.781 -2.031 3.807 1.00 0.00 H new ATOM 0 HG2 MET A 22 -3.361 -4.205 4.340 1.00 0.00 H new ATOM 0 HG3 MET A 22 -4.287 -3.736 5.751 1.00 0.00 H new ATOM 0 HE1 MET A 22 -5.692 -3.789 1.376 1.00 0.00 H new ATOM 0 HE2 MET A 22 -4.750 -2.365 1.879 1.00 0.00 H new ATOM 0 HE3 MET A 22 -4.035 -3.991 1.995 1.00 0.00 H new ATOM 347 N LYS A 23 -2.893 0.651 5.524 1.00 0.00 N ATOM 348 CA LYS A 23 -2.433 2.025 5.361 1.00 0.00 C ATOM 349 C LYS A 23 -1.399 2.382 6.423 1.00 0.00 C ATOM 350 O LYS A 23 -0.309 2.860 6.107 1.00 0.00 O ATOM 351 CB LYS A 23 -3.615 2.993 5.439 1.00 0.00 C ATOM 352 CG LYS A 23 -4.531 2.934 4.228 1.00 0.00 C ATOM 353 CD LYS A 23 -5.884 3.560 4.522 1.00 0.00 C ATOM 354 CE LYS A 23 -5.890 5.048 4.212 1.00 0.00 C ATOM 355 NZ LYS A 23 -4.958 5.803 5.096 1.00 0.00 N ATOM 0 H LYS A 23 -3.901 0.530 5.422 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.965 2.111 4.380 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.196 2.772 6.335 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.235 4.009 5.548 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.063 3.453 3.391 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.667 1.896 3.924 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.653 3.061 3.931 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.137 3.405 5.571 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.608 5.203 3.171 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.900 5.440 4.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.292 6.783 5.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.924 5.351 6.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.006 5.803 4.677 1.00 0.00 H new ATOM 369 N SER A 24 -1.746 2.145 7.685 1.00 0.00 N ATOM 370 CA SER A 24 -0.848 2.444 8.794 1.00 0.00 C ATOM 371 C SER A 24 0.481 1.714 8.628 1.00 0.00 C ATOM 372 O SER A 24 1.541 2.251 8.950 1.00 0.00 O ATOM 373 CB SER A 24 -1.497 2.052 10.122 1.00 0.00 C ATOM 374 OG SER A 24 -0.652 2.369 11.215 1.00 0.00 O ATOM 0 H SER A 24 -2.643 1.747 7.964 1.00 0.00 H new ATOM 0 HA SER A 24 -0.655 3.517 8.795 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.449 2.570 10.232 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.714 0.984 10.123 1.00 0.00 H new ATOM 0 HG SER A 24 -1.090 2.110 12.053 1.00 0.00 H new ATOM 380 N TYR A 25 0.416 0.487 8.125 1.00 0.00 N ATOM 381 CA TYR A 25 1.613 -0.320 7.919 1.00 0.00 C ATOM 382 C TYR A 25 2.487 0.273 6.819 1.00 0.00 C ATOM 383 O TYR A 25 3.710 0.341 6.950 1.00 0.00 O ATOM 384 CB TYR A 25 1.229 -1.757 7.561 1.00 0.00 C ATOM 385 CG TYR A 25 2.419 -2.670 7.367 1.00 0.00 C ATOM 386 CD1 TYR A 25 3.261 -2.525 6.272 1.00 0.00 C ATOM 387 CD2 TYR A 25 2.702 -3.679 8.281 1.00 0.00 C ATOM 388 CE1 TYR A 25 4.349 -3.357 6.090 1.00 0.00 C ATOM 389 CE2 TYR A 25 3.787 -4.516 8.109 1.00 0.00 C ATOM 390 CZ TYR A 25 4.607 -4.351 7.012 1.00 0.00 C ATOM 391 OH TYR A 25 5.690 -5.182 6.836 1.00 0.00 O ATOM 0 H TYR A 25 -0.453 0.029 7.852 1.00 0.00 H new ATOM 0 HA TYR A 25 2.182 -0.323 8.848 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.595 -2.162 8.350 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.635 -1.749 6.647 1.00 0.00 H new ATOM 0 HD1 TYR A 25 3.062 -1.748 5.549 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.062 -3.811 9.141 1.00 0.00 H new ATOM 0 HE1 TYR A 25 4.993 -3.230 5.232 1.00 0.00 H new ATOM 0 HE2 TYR A 25 3.992 -5.295 8.829 1.00 0.00 H new ATOM 0 HH TYR A 25 6.213 -5.218 7.664 1.00 0.00 H new ATOM 401 N PHE A 26 1.851 0.705 5.735 1.00 0.00 N ATOM 402 CA PHE A 26 2.570 1.294 4.610 1.00 0.00 C ATOM 403 C PHE A 26 3.647 2.258 5.098 1.00 0.00 C ATOM 404 O PHE A 26 4.750 2.300 4.555 1.00 0.00 O ATOM 405 CB PHE A 26 1.597 2.025 3.683 1.00 0.00 C ATOM 406 CG PHE A 26 2.278 2.802 2.593 1.00 0.00 C ATOM 407 CD1 PHE A 26 3.054 2.156 1.644 1.00 0.00 C ATOM 408 CD2 PHE A 26 2.142 4.179 2.518 1.00 0.00 C ATOM 409 CE1 PHE A 26 3.681 2.870 0.639 1.00 0.00 C ATOM 410 CE2 PHE A 26 2.767 4.897 1.516 1.00 0.00 C ATOM 411 CZ PHE A 26 3.538 4.241 0.576 1.00 0.00 C ATOM 0 H PHE A 26 0.840 0.659 5.611 1.00 0.00 H new ATOM 0 HA PHE A 26 3.052 0.488 4.057 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.921 1.298 3.232 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.985 2.705 4.275 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.170 1.083 1.690 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.541 4.697 3.251 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.282 2.355 -0.096 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.653 5.970 1.468 1.00 0.00 H new ATOM 0 HZ PHE A 26 4.028 4.800 -0.207 1.00 0.00 H new ATOM 421 N ALA A 27 3.317 3.032 6.127 1.00 0.00 N ATOM 422 CA ALA A 27 4.256 3.995 6.689 1.00 0.00 C ATOM 423 C ALA A 27 5.373 3.292 7.453 1.00 0.00 C ATOM 424 O ALA A 27 6.526 3.723 7.420 1.00 0.00 O ATOM 425 CB ALA A 27 3.527 4.972 7.600 1.00 0.00 C ATOM 0 H ALA A 27 2.407 3.011 6.588 1.00 0.00 H new ATOM 0 HA ALA A 27 4.707 4.548 5.865 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.240 5.686 8.013 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.769 5.506 7.028 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.049 4.425 8.413 1.00 0.00 H new ATOM 431 N ILE A 28 5.024 2.209 8.138 1.00 0.00 N ATOM 432 CA ILE A 28 5.998 1.446 8.909 1.00 0.00 C ATOM 433 C ILE A 28 6.995 0.743 7.993 1.00 0.00 C ATOM 434 O ILE A 28 8.206 0.871 8.164 1.00 0.00 O ATOM 435 CB ILE A 28 5.312 0.397 9.803 1.00 0.00 C ATOM 436 CG1 ILE A 28 4.371 1.080 10.798 1.00 0.00 C ATOM 437 CG2 ILE A 28 6.352 -0.437 10.536 1.00 0.00 C ATOM 438 CD1 ILE A 28 3.415 0.126 11.478 1.00 0.00 C ATOM 0 H ILE A 28 4.074 1.840 8.175 1.00 0.00 H new ATOM 0 HA ILE A 28 6.528 2.159 9.541 1.00 0.00 H new ATOM 0 HB ILE A 28 4.722 -0.267 9.171 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.965 1.589 11.557 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.797 1.846 10.276 1.00 0.00 H new ATOM 0 HG21 ILE A 28 5.851 -1.174 11.164 1.00 0.00 H new ATOM 0 HG22 ILE A 28 6.985 -0.948 9.811 1.00 0.00 H new ATOM 0 HG23 ILE A 28 6.966 0.213 11.159 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.779 0.679 12.169 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.795 -0.364 10.727 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.981 -0.626 12.028 1.00 0.00 H new ATOM 450 N ASN A 29 6.476 0.002 7.020 1.00 0.00 N ATOM 451 CA ASN A 29 7.320 -0.721 6.076 1.00 0.00 C ATOM 452 C ASN A 29 6.720 -0.686 4.674 1.00 0.00 C ATOM 453 O ASN A 29 5.694 -1.314 4.410 1.00 0.00 O ATOM 454 CB ASN A 29 7.503 -2.171 6.529 1.00 0.00 C ATOM 455 CG ASN A 29 8.673 -2.848 5.843 1.00 0.00 C ATOM 456 OD1 ASN A 29 9.621 -2.189 5.414 1.00 0.00 O ATOM 457 ND2 ASN A 29 8.611 -4.170 5.735 1.00 0.00 N ATOM 0 H ASN A 29 5.475 -0.114 6.864 1.00 0.00 H new ATOM 0 HA ASN A 29 8.293 -0.231 6.048 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.655 -2.195 7.608 1.00 0.00 H new ATOM 0 HB3 ASN A 29 6.591 -2.731 6.323 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.369 -4.681 5.282 1.00 0.00 H new ATOM 0 HD22 ASN A 29 7.806 -4.675 6.105 1.00 0.00 H new ATOM 464 N HIS A 30 7.368 0.051 3.777 1.00 0.00 N ATOM 465 CA HIS A 30 6.900 0.166 2.400 1.00 0.00 C ATOM 466 C HIS A 30 7.011 -1.171 1.674 1.00 0.00 C ATOM 467 O HIS A 30 6.089 -1.586 0.974 1.00 0.00 O ATOM 468 CB HIS A 30 7.703 1.233 1.654 1.00 0.00 C ATOM 469 CG HIS A 30 7.626 2.590 2.283 1.00 0.00 C ATOM 470 ND1 HIS A 30 8.738 3.355 2.562 1.00 0.00 N ATOM 471 CD2 HIS A 30 6.559 3.319 2.687 1.00 0.00 C ATOM 472 CE1 HIS A 30 8.360 4.495 3.111 1.00 0.00 C ATOM 473 NE2 HIS A 30 7.042 4.498 3.197 1.00 0.00 N ATOM 0 H HIS A 30 8.218 0.577 3.979 1.00 0.00 H new ATOM 0 HA HIS A 30 5.851 0.460 2.423 1.00 0.00 H new ATOM 0 HB2 HIS A 30 8.747 0.923 1.606 1.00 0.00 H new ATOM 0 HB3 HIS A 30 7.342 1.296 0.628 1.00 0.00 H new ATOM 0 HD2 HIS A 30 5.521 3.027 2.620 1.00 0.00 H new ATOM 0 HE1 HIS A 30 9.016 5.289 3.434 1.00 0.00 H new ATOM 0 HE2 HIS A 30 6.475 5.254 3.580 1.00 0.00 H new ATOM 482 N ASN A 31 8.147 -1.840 1.847 1.00 0.00 N ATOM 483 CA ASN A 31 8.379 -3.130 1.207 1.00 0.00 C ATOM 484 C ASN A 31 8.320 -4.261 2.227 1.00 0.00 C ATOM 485 O ASN A 31 9.342 -4.752 2.708 1.00 0.00 O ATOM 486 CB ASN A 31 9.736 -3.135 0.500 1.00 0.00 C ATOM 487 CG ASN A 31 9.795 -2.144 -0.646 1.00 0.00 C ATOM 488 OD1 ASN A 31 9.250 -2.390 -1.722 1.00 0.00 O ATOM 489 ND2 ASN A 31 10.460 -1.016 -0.420 1.00 0.00 N ATOM 0 H ASN A 31 8.920 -1.510 2.425 1.00 0.00 H new ATOM 0 HA ASN A 31 7.592 -3.289 0.469 1.00 0.00 H new ATOM 0 HB2 ASN A 31 10.519 -2.900 1.221 1.00 0.00 H new ATOM 0 HB3 ASN A 31 9.942 -4.136 0.122 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.534 -0.312 -1.154 1.00 0.00 H new ATOM 0 HD22 ASN A 31 10.896 -0.854 0.488 1.00 0.00 H new ATOM 496 N PRO A 32 7.094 -4.689 2.568 1.00 0.00 N ATOM 497 CA PRO A 32 6.872 -5.769 3.534 1.00 0.00 C ATOM 498 C PRO A 32 7.303 -7.128 2.993 1.00 0.00 C ATOM 499 O PRO A 32 7.134 -7.417 1.808 1.00 0.00 O ATOM 500 CB PRO A 32 5.359 -5.738 3.759 1.00 0.00 C ATOM 501 CG PRO A 32 4.803 -5.137 2.514 1.00 0.00 C ATOM 502 CD PRO A 32 5.832 -4.151 2.035 1.00 0.00 C ATOM 0 HA PRO A 32 7.455 -5.628 4.444 1.00 0.00 H new ATOM 0 HB2 PRO A 32 4.963 -6.740 3.926 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.101 -5.143 4.635 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.616 -5.903 1.761 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.851 -4.643 2.710 1.00 0.00 H new ATOM 0 HD2 PRO A 32 5.851 -4.086 0.947 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.632 -3.147 2.411 1.00 0.00 H new ATOM 510 N ASP A 33 7.858 -7.959 3.868 1.00 0.00 N ATOM 511 CA ASP A 33 8.311 -9.289 3.479 1.00 0.00 C ATOM 512 C ASP A 33 7.156 -10.285 3.500 1.00 0.00 C ATOM 513 O ASP A 33 6.033 -9.940 3.869 1.00 0.00 O ATOM 514 CB ASP A 33 9.427 -9.763 4.409 1.00 0.00 C ATOM 515 CG ASP A 33 10.757 -9.105 4.102 1.00 0.00 C ATOM 516 OD1 ASP A 33 11.079 -8.945 2.906 1.00 0.00 O ATOM 517 OD2 ASP A 33 11.477 -8.747 5.057 1.00 0.00 O ATOM 0 H ASP A 33 8.005 -7.735 4.852 1.00 0.00 H new ATOM 0 HA ASP A 33 8.697 -9.231 2.461 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.150 -9.550 5.442 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.532 -10.845 4.323 1.00 0.00 H new ATOM 522 N ALA A 34 7.439 -11.520 3.101 1.00 0.00 N ATOM 523 CA ALA A 34 6.424 -12.566 3.075 1.00 0.00 C ATOM 524 C ALA A 34 5.770 -12.730 4.443 1.00 0.00 C ATOM 525 O ALA A 34 4.546 -12.800 4.554 1.00 0.00 O ATOM 526 CB ALA A 34 7.034 -13.883 2.619 1.00 0.00 C ATOM 0 H ALA A 34 8.363 -11.821 2.791 1.00 0.00 H new ATOM 0 HA ALA A 34 5.652 -12.271 2.365 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.264 -14.655 2.604 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.448 -13.765 1.618 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.827 -14.174 3.308 1.00 0.00 H new ATOM 532 N LYS A 35 6.593 -12.791 5.484 1.00 0.00 N ATOM 533 CA LYS A 35 6.096 -12.946 6.847 1.00 0.00 C ATOM 534 C LYS A 35 5.052 -11.881 7.169 1.00 0.00 C ATOM 535 O LYS A 35 3.994 -12.182 7.721 1.00 0.00 O ATOM 536 CB LYS A 35 7.251 -12.862 7.846 1.00 0.00 C ATOM 537 CG LYS A 35 6.999 -13.628 9.133 1.00 0.00 C ATOM 538 CD LYS A 35 6.142 -12.827 10.099 1.00 0.00 C ATOM 539 CE LYS A 35 5.880 -13.600 11.383 1.00 0.00 C ATOM 540 NZ LYS A 35 7.135 -13.851 12.144 1.00 0.00 N ATOM 0 H LYS A 35 7.609 -12.735 5.410 1.00 0.00 H new ATOM 0 HA LYS A 35 5.626 -13.926 6.927 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.156 -13.246 7.375 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.437 -11.815 8.087 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.506 -14.573 8.905 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.951 -13.871 9.605 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.639 -11.886 10.334 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.194 -12.576 9.624 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.182 -13.042 12.007 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.404 -14.551 11.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.900 -14.194 13.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.704 -14.567 11.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.679 -12.967 12.218 1.00 0.00 H new ATOM 554 N ASP A 36 5.357 -10.636 6.820 1.00 0.00 N ATOM 555 CA ASP A 36 4.444 -9.526 7.070 1.00 0.00 C ATOM 556 C ASP A 36 3.194 -9.645 6.203 1.00 0.00 C ATOM 557 O ASP A 36 2.083 -9.361 6.655 1.00 0.00 O ATOM 558 CB ASP A 36 5.142 -8.193 6.799 1.00 0.00 C ATOM 559 CG ASP A 36 6.422 -8.037 7.598 1.00 0.00 C ATOM 560 OD1 ASP A 36 6.339 -7.636 8.778 1.00 0.00 O ATOM 561 OD2 ASP A 36 7.505 -8.315 7.042 1.00 0.00 O ATOM 0 H ASP A 36 6.229 -10.370 6.363 1.00 0.00 H new ATOM 0 HA ASP A 36 4.143 -9.564 8.117 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.369 -8.114 5.736 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.464 -7.375 7.041 1.00 0.00 H new ATOM 566 N LEU A 37 3.382 -10.065 4.958 1.00 0.00 N ATOM 567 CA LEU A 37 2.269 -10.221 4.027 1.00 0.00 C ATOM 568 C LEU A 37 1.222 -11.179 4.585 1.00 0.00 C ATOM 569 O LEU A 37 0.054 -10.819 4.736 1.00 0.00 O ATOM 570 CB LEU A 37 2.777 -10.732 2.676 1.00 0.00 C ATOM 571 CG LEU A 37 3.206 -9.663 1.673 1.00 0.00 C ATOM 572 CD1 LEU A 37 3.944 -10.295 0.502 1.00 0.00 C ATOM 573 CD2 LEU A 37 2.001 -8.875 1.183 1.00 0.00 C ATOM 0 H LEU A 37 4.294 -10.304 4.569 1.00 0.00 H new ATOM 0 HA LEU A 37 1.804 -9.245 3.888 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.624 -11.394 2.856 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.992 -11.335 2.220 1.00 0.00 H new ATOM 0 HG LEU A 37 3.885 -8.974 2.175 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.242 -9.518 -0.202 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.831 -10.813 0.868 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.289 -11.007 0.001 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.327 -8.118 0.469 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.297 -9.551 0.699 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.515 -8.390 2.029 1.00 0.00 H new ATOM 585 N LYS A 38 1.648 -12.400 4.894 1.00 0.00 N ATOM 586 CA LYS A 38 0.748 -13.409 5.439 1.00 0.00 C ATOM 587 C LYS A 38 0.037 -12.888 6.683 1.00 0.00 C ATOM 588 O LYS A 38 -1.147 -13.155 6.889 1.00 0.00 O ATOM 589 CB LYS A 38 1.525 -14.683 5.779 1.00 0.00 C ATOM 590 CG LYS A 38 2.710 -14.445 6.698 1.00 0.00 C ATOM 591 CD LYS A 38 3.396 -15.749 7.073 1.00 0.00 C ATOM 592 CE LYS A 38 4.325 -16.228 5.967 1.00 0.00 C ATOM 593 NZ LYS A 38 4.642 -17.677 6.098 1.00 0.00 N ATOM 0 H LYS A 38 2.611 -12.714 4.776 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.002 -13.638 4.682 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.849 -15.397 6.249 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.879 -15.141 4.855 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.425 -13.785 6.207 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.374 -13.936 7.602 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.964 -15.611 7.993 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.644 -16.512 7.274 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.861 -16.044 4.998 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.249 -15.650 5.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.277 -17.965 5.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.108 -17.849 7.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.763 -18.231 6.048 1.00 0.00 H new ATOM 607 N GLN A 39 0.765 -12.142 7.508 1.00 0.00 N ATOM 608 CA GLN A 39 0.201 -11.583 8.731 1.00 0.00 C ATOM 609 C GLN A 39 -0.928 -10.608 8.415 1.00 0.00 C ATOM 610 O GLN A 39 -2.008 -10.679 9.003 1.00 0.00 O ATOM 611 CB GLN A 39 1.288 -10.878 9.543 1.00 0.00 C ATOM 612 CG GLN A 39 2.183 -11.830 10.319 1.00 0.00 C ATOM 613 CD GLN A 39 3.032 -11.120 11.356 1.00 0.00 C ATOM 614 OE1 GLN A 39 3.786 -10.202 11.034 1.00 0.00 O ATOM 615 NE2 GLN A 39 2.912 -11.543 12.609 1.00 0.00 N ATOM 0 H GLN A 39 1.746 -11.911 7.352 1.00 0.00 H new ATOM 0 HA GLN A 39 -0.208 -12.404 9.320 1.00 0.00 H new ATOM 0 HB2 GLN A 39 1.904 -10.282 8.869 1.00 0.00 H new ATOM 0 HB3 GLN A 39 0.817 -10.186 10.241 1.00 0.00 H new ATOM 0 HG2 GLN A 39 1.566 -12.581 10.813 1.00 0.00 H new ATOM 0 HG3 GLN A 39 2.834 -12.359 9.623 1.00 0.00 H new ATOM 0 HE21 GLN A 39 2.274 -12.308 12.830 1.00 0.00 H new ATOM 0 HE22 GLN A 39 3.458 -11.103 13.350 1.00 0.00 H new ATOM 624 N LEU A 40 -0.671 -9.697 7.482 1.00 0.00 N ATOM 625 CA LEU A 40 -1.666 -8.707 7.087 1.00 0.00 C ATOM 626 C LEU A 40 -2.919 -9.381 6.541 1.00 0.00 C ATOM 627 O LEU A 40 -4.039 -8.985 6.861 1.00 0.00 O ATOM 628 CB LEU A 40 -1.082 -7.760 6.035 1.00 0.00 C ATOM 629 CG LEU A 40 -0.102 -6.706 6.551 1.00 0.00 C ATOM 630 CD1 LEU A 40 0.584 -6.003 5.391 1.00 0.00 C ATOM 631 CD2 LEU A 40 -0.820 -5.700 7.438 1.00 0.00 C ATOM 0 H LEU A 40 0.217 -9.624 6.986 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.942 -8.133 7.971 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.575 -8.358 5.278 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.906 -7.248 5.538 1.00 0.00 H new ATOM 0 HG LEU A 40 0.661 -7.207 7.148 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.278 -5.256 5.777 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.132 -6.733 4.795 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.165 -5.514 4.768 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.107 -4.957 7.796 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.604 -5.204 6.865 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.264 -6.217 8.289 1.00 0.00 H new ATOM 643 N ALA A 41 -2.723 -10.404 5.714 1.00 0.00 N ATOM 644 CA ALA A 41 -3.838 -11.136 5.126 1.00 0.00 C ATOM 645 C ALA A 41 -4.830 -11.576 6.196 1.00 0.00 C ATOM 646 O ALA A 41 -6.025 -11.703 5.931 1.00 0.00 O ATOM 647 CB ALA A 41 -3.327 -12.341 4.350 1.00 0.00 C ATOM 0 H ALA A 41 -1.802 -10.744 5.437 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.357 -10.468 4.439 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.170 -12.879 3.916 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.662 -12.006 3.554 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.782 -13.003 5.023 1.00 0.00 H new ATOM 653 N GLN A 42 -4.328 -11.805 7.405 1.00 0.00 N ATOM 654 CA GLN A 42 -5.172 -12.233 8.515 1.00 0.00 C ATOM 655 C GLN A 42 -5.725 -11.030 9.271 1.00 0.00 C ATOM 656 O GLN A 42 -6.932 -10.926 9.499 1.00 0.00 O ATOM 657 CB GLN A 42 -4.382 -13.131 9.467 1.00 0.00 C ATOM 658 CG GLN A 42 -4.038 -14.489 8.878 1.00 0.00 C ATOM 659 CD GLN A 42 -5.196 -15.464 8.943 1.00 0.00 C ATOM 660 OE1 GLN A 42 -6.247 -15.239 8.342 1.00 0.00 O ATOM 661 NE2 GLN A 42 -5.010 -16.557 9.674 1.00 0.00 N ATOM 0 H GLN A 42 -3.341 -11.701 7.641 1.00 0.00 H new ATOM 0 HA GLN A 42 -6.009 -12.799 8.106 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.460 -12.623 9.751 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -4.960 -13.276 10.380 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -3.732 -14.363 7.839 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -3.185 -14.907 9.413 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -4.123 -16.704 10.156 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -5.754 -17.250 9.754 1.00 0.00 H new ATOM 670 N LYS A 43 -4.837 -10.122 9.662 1.00 0.00 N ATOM 671 CA LYS A 43 -5.234 -8.925 10.393 1.00 0.00 C ATOM 672 C LYS A 43 -6.350 -8.186 9.660 1.00 0.00 C ATOM 673 O LYS A 43 -7.167 -7.503 10.279 1.00 0.00 O ATOM 674 CB LYS A 43 -4.034 -7.997 10.584 1.00 0.00 C ATOM 675 CG LYS A 43 -2.951 -8.579 11.477 1.00 0.00 C ATOM 676 CD LYS A 43 -2.091 -7.489 12.094 1.00 0.00 C ATOM 677 CE LYS A 43 -1.007 -7.025 11.133 1.00 0.00 C ATOM 678 NZ LYS A 43 -0.369 -5.758 11.587 1.00 0.00 N ATOM 0 H LYS A 43 -3.835 -10.193 9.484 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.606 -9.233 11.370 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.604 -7.767 9.609 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.378 -7.055 11.011 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.410 -9.172 12.268 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.323 -9.254 10.896 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.719 -6.643 12.373 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.632 -7.861 13.010 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.247 -7.801 11.040 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.438 -6.880 10.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.239 -5.385 10.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.106 -5.060 11.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.206 -5.943 12.434 1.00 0.00 H new ATOM 692 N THR A 44 -6.380 -8.328 8.339 1.00 0.00 N ATOM 693 CA THR A 44 -7.395 -7.675 7.523 1.00 0.00 C ATOM 694 C THR A 44 -8.381 -8.689 6.955 1.00 0.00 C ATOM 695 O THR A 44 -9.581 -8.427 6.879 1.00 0.00 O ATOM 696 CB THR A 44 -6.760 -6.887 6.361 1.00 0.00 C ATOM 697 OG1 THR A 44 -6.193 -7.793 5.408 1.00 0.00 O ATOM 698 CG2 THR A 44 -5.684 -5.942 6.872 1.00 0.00 C ATOM 0 H THR A 44 -5.712 -8.890 7.811 1.00 0.00 H new ATOM 0 HA THR A 44 -7.927 -6.982 8.175 1.00 0.00 H new ATOM 0 HB THR A 44 -7.541 -6.297 5.881 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.432 -8.260 5.813 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.250 -5.397 6.034 1.00 0.00 H new ATOM 0 HG22 THR A 44 -6.124 -5.235 7.575 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.905 -6.515 7.374 1.00 0.00 H new ATOM 706 N GLY A 45 -7.868 -9.849 6.560 1.00 0.00 N ATOM 707 CA GLY A 45 -8.718 -10.887 6.004 1.00 0.00 C ATOM 708 C GLY A 45 -8.488 -11.091 4.520 1.00 0.00 C ATOM 709 O GLY A 45 -8.766 -12.165 3.984 1.00 0.00 O ATOM 0 H GLY A 45 -6.878 -10.090 6.615 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -8.533 -11.824 6.529 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -9.763 -10.627 6.174 1.00 0.00 H new ATOM 713 N LEU A 46 -7.983 -10.060 3.853 1.00 0.00 N ATOM 714 CA LEU A 46 -7.718 -10.131 2.420 1.00 0.00 C ATOM 715 C LEU A 46 -6.679 -11.204 2.111 1.00 0.00 C ATOM 716 O LEU A 46 -6.057 -11.761 3.017 1.00 0.00 O ATOM 717 CB LEU A 46 -7.235 -8.774 1.904 1.00 0.00 C ATOM 718 CG LEU A 46 -8.098 -7.568 2.277 1.00 0.00 C ATOM 719 CD1 LEU A 46 -7.339 -6.273 2.033 1.00 0.00 C ATOM 720 CD2 LEU A 46 -9.401 -7.581 1.491 1.00 0.00 C ATOM 0 H LEU A 46 -7.749 -9.164 4.281 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.647 -10.396 1.916 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.226 -8.603 2.279 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.167 -8.824 0.817 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.337 -7.631 3.339 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.969 -5.426 2.304 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.434 -6.262 2.641 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.069 -6.202 0.979 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.002 -6.716 1.769 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.183 -7.543 0.424 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.953 -8.494 1.716 1.00 0.00 H new ATOM 732 N THR A 47 -6.495 -11.490 0.826 1.00 0.00 N ATOM 733 CA THR A 47 -5.531 -12.495 0.397 1.00 0.00 C ATOM 734 C THR A 47 -4.133 -11.899 0.275 1.00 0.00 C ATOM 735 O THR A 47 -3.957 -10.683 0.337 1.00 0.00 O ATOM 736 CB THR A 47 -5.931 -13.117 -0.954 1.00 0.00 C ATOM 737 OG1 THR A 47 -5.825 -12.139 -1.994 1.00 0.00 O ATOM 738 CG2 THR A 47 -7.353 -13.656 -0.902 1.00 0.00 C ATOM 0 H THR A 47 -7.001 -11.039 0.064 1.00 0.00 H new ATOM 0 HA THR A 47 -5.526 -13.274 1.160 1.00 0.00 H new ATOM 0 HB THR A 47 -5.253 -13.944 -1.163 1.00 0.00 H new ATOM 0 HG1 THR A 47 -6.079 -12.543 -2.850 1.00 0.00 H new ATOM 0 HG21 THR A 47 -7.613 -14.090 -1.867 1.00 0.00 H new ATOM 0 HG22 THR A 47 -7.424 -14.421 -0.129 1.00 0.00 H new ATOM 0 HG23 THR A 47 -8.042 -12.843 -0.672 1.00 0.00 H new ATOM 746 N LYS A 48 -3.140 -12.765 0.100 1.00 0.00 N ATOM 747 CA LYS A 48 -1.756 -12.325 -0.032 1.00 0.00 C ATOM 748 C LYS A 48 -1.581 -11.443 -1.263 1.00 0.00 C ATOM 749 O LYS A 48 -0.919 -10.406 -1.207 1.00 0.00 O ATOM 750 CB LYS A 48 -0.822 -13.534 -0.123 1.00 0.00 C ATOM 751 CG LYS A 48 0.564 -13.276 0.444 1.00 0.00 C ATOM 752 CD LYS A 48 1.395 -14.547 0.486 1.00 0.00 C ATOM 753 CE LYS A 48 2.181 -14.742 -0.802 1.00 0.00 C ATOM 754 NZ LYS A 48 2.949 -16.017 -0.796 1.00 0.00 N ATOM 0 H LYS A 48 -3.268 -13.775 0.046 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.501 -11.741 0.852 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.273 -14.372 0.409 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.729 -13.833 -1.167 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.073 -12.527 -0.163 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.476 -12.864 1.449 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.083 -14.505 1.331 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.742 -15.405 0.649 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.496 -14.735 -1.650 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.867 -13.906 -0.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.471 -16.112 -1.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.621 -16.014 -0.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.293 -16.817 -0.691 1.00 0.00 H new ATOM 768 N ARG A 49 -2.181 -11.858 -2.374 1.00 0.00 N ATOM 769 CA ARG A 49 -2.092 -11.105 -3.619 1.00 0.00 C ATOM 770 C ARG A 49 -2.709 -9.718 -3.460 1.00 0.00 C ATOM 771 O ARG A 49 -2.065 -8.705 -3.735 1.00 0.00 O ATOM 772 CB ARG A 49 -2.793 -11.860 -4.749 1.00 0.00 C ATOM 773 CG ARG A 49 -2.895 -11.067 -6.041 1.00 0.00 C ATOM 774 CD ARG A 49 -3.009 -11.982 -7.250 1.00 0.00 C ATOM 775 NE ARG A 49 -3.109 -11.231 -8.499 1.00 0.00 N ATOM 776 CZ ARG A 49 -3.101 -11.797 -9.700 1.00 0.00 C ATOM 777 NH1 ARG A 49 -2.997 -13.114 -9.815 1.00 0.00 N ATOM 778 NH2 ARG A 49 -3.196 -11.046 -10.790 1.00 0.00 N ATOM 0 H ARG A 49 -2.734 -12.712 -2.437 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.037 -10.989 -3.869 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.254 -12.787 -4.944 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.796 -12.136 -4.422 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.763 -10.410 -5.998 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.018 -10.429 -6.148 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.140 -12.639 -7.291 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.886 -12.620 -7.140 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.189 -10.216 -8.445 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.923 -13.695 -8.980 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.991 -13.546 -10.739 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -3.275 -10.033 -10.706 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.190 -11.482 -11.712 1.00 0.00 H new ATOM 792 N VAL A 50 -3.961 -9.680 -3.016 1.00 0.00 N ATOM 793 CA VAL A 50 -4.666 -8.419 -2.819 1.00 0.00 C ATOM 794 C VAL A 50 -3.786 -7.405 -2.097 1.00 0.00 C ATOM 795 O VAL A 50 -3.812 -6.212 -2.405 1.00 0.00 O ATOM 796 CB VAL A 50 -5.964 -8.620 -2.017 1.00 0.00 C ATOM 797 CG1 VAL A 50 -6.567 -7.278 -1.631 1.00 0.00 C ATOM 798 CG2 VAL A 50 -6.958 -9.452 -2.812 1.00 0.00 C ATOM 0 H VAL A 50 -4.509 -10.509 -2.786 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.916 -8.039 -3.809 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.724 -9.160 -1.101 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.484 -7.441 -1.065 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.856 -6.722 -1.019 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.793 -6.708 -2.532 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.870 -9.584 -2.230 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.195 -8.942 -3.746 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.523 -10.427 -3.031 1.00 0.00 H new ATOM 808 N LEU A 51 -3.006 -7.886 -1.135 1.00 0.00 N ATOM 809 CA LEU A 51 -2.116 -7.022 -0.366 1.00 0.00 C ATOM 810 C LEU A 51 -0.922 -6.585 -1.208 1.00 0.00 C ATOM 811 O LEU A 51 -0.601 -5.398 -1.278 1.00 0.00 O ATOM 812 CB LEU A 51 -1.633 -7.744 0.891 1.00 0.00 C ATOM 813 CG LEU A 51 -2.720 -8.211 1.859 1.00 0.00 C ATOM 814 CD1 LEU A 51 -2.272 -9.456 2.608 1.00 0.00 C ATOM 815 CD2 LEU A 51 -3.080 -7.100 2.834 1.00 0.00 C ATOM 0 H LEU A 51 -2.972 -8.870 -0.869 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.675 -6.133 -0.073 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.050 -8.613 0.585 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.957 -7.080 1.429 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.609 -8.462 1.281 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.060 -9.772 3.292 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.067 -10.255 1.896 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.367 -9.234 3.174 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.855 -7.451 3.515 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.196 -6.817 3.405 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.447 -6.235 2.281 1.00 0.00 H new ATOM 827 N GLN A 52 -0.269 -7.551 -1.846 1.00 0.00 N ATOM 828 CA GLN A 52 0.889 -7.265 -2.684 1.00 0.00 C ATOM 829 C GLN A 52 0.579 -6.153 -3.680 1.00 0.00 C ATOM 830 O GLN A 52 1.289 -5.149 -3.747 1.00 0.00 O ATOM 831 CB GLN A 52 1.329 -8.526 -3.430 1.00 0.00 C ATOM 832 CG GLN A 52 1.980 -9.567 -2.534 1.00 0.00 C ATOM 833 CD GLN A 52 2.951 -10.457 -3.283 1.00 0.00 C ATOM 834 OE1 GLN A 52 2.548 -11.404 -3.961 1.00 0.00 O ATOM 835 NE2 GLN A 52 4.240 -10.159 -3.168 1.00 0.00 N ATOM 0 H GLN A 52 -0.522 -8.538 -1.798 1.00 0.00 H new ATOM 0 HA GLN A 52 1.701 -6.932 -2.037 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.462 -8.970 -3.918 1.00 0.00 H new ATOM 0 HB3 GLN A 52 2.030 -8.247 -4.217 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.506 -9.064 -1.722 1.00 0.00 H new ATOM 0 HG3 GLN A 52 1.205 -10.184 -2.078 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.531 -9.366 -2.596 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.939 -10.723 -3.651 1.00 0.00 H new ATOM 844 N VAL A 53 -0.485 -6.338 -4.454 1.00 0.00 N ATOM 845 CA VAL A 53 -0.891 -5.350 -5.447 1.00 0.00 C ATOM 846 C VAL A 53 -1.186 -4.005 -4.794 1.00 0.00 C ATOM 847 O VAL A 53 -0.510 -3.012 -5.062 1.00 0.00 O ATOM 848 CB VAL A 53 -2.135 -5.815 -6.227 1.00 0.00 C ATOM 849 CG1 VAL A 53 -2.555 -4.761 -7.240 1.00 0.00 C ATOM 850 CG2 VAL A 53 -1.867 -7.148 -6.910 1.00 0.00 C ATOM 0 H VAL A 53 -1.082 -7.164 -4.413 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.058 -5.239 -6.141 1.00 0.00 H new ATOM 0 HB VAL A 53 -2.955 -5.953 -5.522 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.435 -5.107 -7.781 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.790 -3.831 -6.722 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.741 -4.588 -7.944 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -2.756 -7.462 -7.457 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.034 -7.040 -7.604 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.619 -7.898 -6.159 1.00 0.00 H new ATOM 860 N TRP A 54 -2.201 -3.980 -3.938 1.00 0.00 N ATOM 861 CA TRP A 54 -2.587 -2.755 -3.245 1.00 0.00 C ATOM 862 C TRP A 54 -1.358 -1.958 -2.824 1.00 0.00 C ATOM 863 O TRP A 54 -1.189 -0.804 -3.219 1.00 0.00 O ATOM 864 CB TRP A 54 -3.440 -3.086 -2.020 1.00 0.00 C ATOM 865 CG TRP A 54 -3.933 -1.871 -1.293 1.00 0.00 C ATOM 866 CD1 TRP A 54 -5.141 -1.255 -1.454 1.00 0.00 C ATOM 867 CD2 TRP A 54 -3.228 -1.123 -0.297 1.00 0.00 C ATOM 868 NE1 TRP A 54 -5.230 -0.170 -0.615 1.00 0.00 N ATOM 869 CE2 TRP A 54 -4.070 -0.068 0.105 1.00 0.00 C ATOM 870 CE3 TRP A 54 -1.968 -1.244 0.297 1.00 0.00 C ATOM 871 CZ2 TRP A 54 -3.690 0.860 1.073 1.00 0.00 C ATOM 872 CZ3 TRP A 54 -1.594 -0.323 1.257 1.00 0.00 C ATOM 873 CH2 TRP A 54 -2.452 0.717 1.637 1.00 0.00 C ATOM 0 H TRP A 54 -2.772 -4.793 -3.707 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.173 -2.146 -3.933 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.295 -3.685 -2.333 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -2.855 -3.699 -1.334 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -5.913 -1.573 -2.139 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -6.031 0.458 -0.541 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -1.299 -2.042 0.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -4.349 1.663 1.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.623 -0.407 1.722 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.130 1.420 2.391 1.00 0.00 H new ATOM 884 N PHE A 55 -0.501 -2.579 -2.021 1.00 0.00 N ATOM 885 CA PHE A 55 0.713 -1.925 -1.546 1.00 0.00 C ATOM 886 C PHE A 55 1.532 -1.385 -2.714 1.00 0.00 C ATOM 887 O PHE A 55 1.955 -0.229 -2.705 1.00 0.00 O ATOM 888 CB PHE A 55 1.557 -2.904 -0.726 1.00 0.00 C ATOM 889 CG PHE A 55 1.230 -2.897 0.740 1.00 0.00 C ATOM 890 CD1 PHE A 55 0.125 -3.581 1.220 1.00 0.00 C ATOM 891 CD2 PHE A 55 2.027 -2.205 1.637 1.00 0.00 C ATOM 892 CE1 PHE A 55 -0.179 -3.577 2.568 1.00 0.00 C ATOM 893 CE2 PHE A 55 1.728 -2.197 2.987 1.00 0.00 C ATOM 894 CZ PHE A 55 0.624 -2.883 3.452 1.00 0.00 C ATOM 0 H PHE A 55 -0.624 -3.534 -1.685 1.00 0.00 H new ATOM 0 HA PHE A 55 0.421 -1.088 -0.912 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.413 -3.911 -1.117 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.611 -2.659 -0.856 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.506 -4.124 0.532 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.891 -1.666 1.278 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.043 -4.115 2.930 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.358 -1.655 3.677 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.388 -2.877 4.506 1.00 0.00 H new ATOM 904 N GLN A 56 1.752 -2.229 -3.717 1.00 0.00 N ATOM 905 CA GLN A 56 2.522 -1.836 -4.890 1.00 0.00 C ATOM 906 C GLN A 56 1.929 -0.588 -5.537 1.00 0.00 C ATOM 907 O GLN A 56 2.658 0.302 -5.974 1.00 0.00 O ATOM 908 CB GLN A 56 2.563 -2.980 -5.906 1.00 0.00 C ATOM 909 CG GLN A 56 3.560 -4.071 -5.552 1.00 0.00 C ATOM 910 CD GLN A 56 3.736 -5.084 -6.667 1.00 0.00 C ATOM 911 OE1 GLN A 56 3.326 -6.238 -6.542 1.00 0.00 O ATOM 912 NE2 GLN A 56 4.348 -4.656 -7.764 1.00 0.00 N ATOM 0 H GLN A 56 1.408 -3.189 -3.740 1.00 0.00 H new ATOM 0 HA GLN A 56 3.538 -1.609 -4.567 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.569 -3.420 -5.986 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.813 -2.575 -6.887 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.524 -3.617 -5.323 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.227 -4.584 -4.650 1.00 0.00 H new ATOM 0 HE21 GLN A 56 4.671 -3.690 -7.824 1.00 0.00 H new ATOM 0 HE22 GLN A 56 4.495 -5.293 -8.547 1.00 0.00 H new ATOM 921 N ASN A 57 0.602 -0.530 -5.594 1.00 0.00 N ATOM 922 CA ASN A 57 -0.088 0.609 -6.189 1.00 0.00 C ATOM 923 C ASN A 57 0.190 1.885 -5.399 1.00 0.00 C ATOM 924 O ASN A 57 0.385 2.954 -5.978 1.00 0.00 O ATOM 925 CB ASN A 57 -1.595 0.347 -6.242 1.00 0.00 C ATOM 926 CG ASN A 57 -2.018 -0.328 -7.533 1.00 0.00 C ATOM 927 OD1 ASN A 57 -2.720 0.264 -8.354 1.00 0.00 O ATOM 928 ND2 ASN A 57 -1.594 -1.572 -7.717 1.00 0.00 N ATOM 0 H ASN A 57 -0.016 -1.258 -5.236 1.00 0.00 H new ATOM 0 HA ASN A 57 0.287 0.741 -7.204 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -1.883 -0.278 -5.397 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.129 1.291 -6.136 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.848 -2.077 -8.566 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.014 -2.023 -7.009 1.00 0.00 H new ATOM 935 N ALA A 58 0.206 1.764 -4.076 1.00 0.00 N ATOM 936 CA ALA A 58 0.463 2.907 -3.209 1.00 0.00 C ATOM 937 C ALA A 58 1.789 3.574 -3.557 1.00 0.00 C ATOM 938 O ALA A 58 1.842 4.777 -3.812 1.00 0.00 O ATOM 939 CB ALA A 58 0.455 2.474 -1.750 1.00 0.00 C ATOM 0 H ALA A 58 0.044 0.887 -3.581 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.332 3.636 -3.366 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.648 3.337 -1.113 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.518 2.050 -1.502 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.229 1.724 -1.589 1.00 0.00 H new ATOM 945 N ARG A 59 2.860 2.785 -3.564 1.00 0.00 N ATOM 946 CA ARG A 59 4.186 3.300 -3.879 1.00 0.00 C ATOM 947 C ARG A 59 4.136 4.230 -5.087 1.00 0.00 C ATOM 948 O ARG A 59 4.710 5.318 -5.070 1.00 0.00 O ATOM 949 CB ARG A 59 5.154 2.146 -4.150 1.00 0.00 C ATOM 950 CG ARG A 59 5.813 1.597 -2.895 1.00 0.00 C ATOM 951 CD ARG A 59 7.153 0.949 -3.209 1.00 0.00 C ATOM 952 NE ARG A 59 8.186 1.939 -3.498 1.00 0.00 N ATOM 953 CZ ARG A 59 9.309 1.662 -4.151 1.00 0.00 C ATOM 954 NH1 ARG A 59 9.541 0.429 -4.581 1.00 0.00 N ATOM 955 NH2 ARG A 59 10.201 2.617 -4.375 1.00 0.00 N ATOM 0 H ARG A 59 2.834 1.787 -3.355 1.00 0.00 H new ATOM 0 HA ARG A 59 4.540 3.869 -3.019 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.615 1.341 -4.649 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.928 2.486 -4.838 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.957 2.403 -2.176 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.154 0.866 -2.427 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.466 0.335 -2.364 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.041 0.282 -4.064 1.00 0.00 H new ATOM 0 HE ARG A 59 8.037 2.897 -3.181 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.857 -0.308 -4.410 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.404 0.218 -5.082 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.025 3.566 -4.046 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.063 2.402 -4.877 1.00 0.00 H new