USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 539 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 16 LYS NZ :NH3+ -163:sc= 1.15 (180deg=0.391) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.918 K(o=0.92,f=-0.027) USER MOD Single : A 24 SER OG : rot 180:sc= -0.684 USER MOD Single : A 27 SER OG : rot -69:sc= 1.18 USER MOD Single : A 37 GLN : amide:sc= -0.12 X(o=-0.12,f=0.17) USER MOD Single : A 38 GLN : amide:sc= -0.558 X(o=-0.56,f=-0.28) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 142:sc= -0.546 USER MOD Single : A 63 GLN : amide:sc= -1.48 X(o=-1.5,f=-1.8) USER MOD Single : A 65 MET CE :methyl 140:sc= -1.66 (180deg=-4.36!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.427 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 71 GLN : amide:sc= -5.94! K(o=-5.9!,f=-1.2) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot -21:sc= -9.12! USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -0.284 X(o=-0.28,f=-0.57) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 167 N GLY A 15 -3.587 7.913 -5.746 1.00 0.00 N ATOM 168 CA GLY A 15 -3.560 8.108 -4.309 1.00 0.00 C ATOM 169 C GLY A 15 -3.740 6.811 -3.544 1.00 0.00 C ATOM 170 O GLY A 15 -4.519 6.744 -2.594 1.00 0.00 O ATOM 0 HA2 GLY A 15 -2.612 8.565 -4.025 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.348 8.806 -4.025 1.00 0.00 H new ATOM 174 N LYS A 16 -3.018 5.776 -3.960 1.00 0.00 N ATOM 175 CA LYS A 16 -3.100 4.474 -3.309 1.00 0.00 C ATOM 176 C LYS A 16 -1.730 4.028 -2.810 1.00 0.00 C ATOM 177 O LYS A 16 -0.797 3.853 -3.595 1.00 0.00 O ATOM 178 CB LYS A 16 -3.665 3.432 -4.277 1.00 0.00 C ATOM 179 CG LYS A 16 -4.680 3.998 -5.255 1.00 0.00 C ATOM 180 CD LYS A 16 -4.704 3.208 -6.554 1.00 0.00 C ATOM 181 CE LYS A 16 -5.548 3.901 -7.612 1.00 0.00 C ATOM 182 NZ LYS A 16 -5.057 3.614 -8.988 1.00 0.00 N ATOM 0 H LYS A 16 -2.369 5.814 -4.746 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.767 4.566 -2.452 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.843 2.985 -4.837 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.133 2.631 -3.704 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.671 3.984 -4.801 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.441 5.040 -5.466 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.686 3.083 -6.924 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.100 2.210 -6.367 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.584 3.575 -7.521 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.536 4.977 -7.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.456 4.309 -9.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.019 3.674 -9.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.353 2.658 -9.270 1.00 0.00 H new ATOM 196 N THR A 17 -1.614 3.844 -1.498 1.00 0.00 N ATOM 197 CA THR A 17 -0.358 3.418 -0.893 1.00 0.00 C ATOM 198 C THR A 17 -0.599 2.398 0.214 1.00 0.00 C ATOM 199 O THR A 17 -1.715 2.263 0.715 1.00 0.00 O ATOM 200 CB THR A 17 0.420 4.614 -0.314 1.00 0.00 C ATOM 201 OG1 THR A 17 0.862 5.471 -1.373 1.00 0.00 O ATOM 202 CG2 THR A 17 1.618 4.139 0.495 1.00 0.00 C ATOM 0 H THR A 17 -2.376 3.984 -0.834 1.00 0.00 H new ATOM 0 HA THR A 17 0.234 2.958 -1.684 1.00 0.00 H new ATOM 0 HB THR A 17 -0.248 5.168 0.346 1.00 0.00 H new ATOM 0 HG1 THR A 17 1.354 6.230 -0.996 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.152 5.001 0.894 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.276 3.511 1.318 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.285 3.564 -0.147 1.00 0.00 H new ATOM 210 N VAL A 18 0.455 1.683 0.592 1.00 0.00 N ATOM 211 CA VAL A 18 0.359 0.676 1.642 1.00 0.00 C ATOM 212 C VAL A 18 1.725 0.387 2.254 1.00 0.00 C ATOM 213 O VAL A 18 2.648 -0.044 1.563 1.00 0.00 O ATOM 214 CB VAL A 18 -0.240 -0.638 1.106 1.00 0.00 C ATOM 215 CG1 VAL A 18 -1.532 -0.368 0.352 1.00 0.00 C ATOM 216 CG2 VAL A 18 0.765 -1.358 0.219 1.00 0.00 C ATOM 0 H VAL A 18 1.386 1.782 0.187 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.301 1.081 2.409 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.471 -1.284 1.953 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.940 -1.308 -0.019 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.253 0.101 1.022 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.331 0.297 -0.488 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.326 -2.284 -0.151 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.029 -0.720 -0.624 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.661 -1.587 0.796 1.00 0.00 H new ATOM 226 N PHE A 19 1.847 0.627 3.555 1.00 0.00 N ATOM 227 CA PHE A 19 3.102 0.393 4.261 1.00 0.00 C ATOM 228 C PHE A 19 2.957 -0.750 5.262 1.00 0.00 C ATOM 229 O PHE A 19 2.092 -0.717 6.137 1.00 0.00 O ATOM 230 CB PHE A 19 3.549 1.665 4.984 1.00 0.00 C ATOM 231 CG PHE A 19 4.804 1.487 5.791 1.00 0.00 C ATOM 232 CD1 PHE A 19 5.973 1.047 5.191 1.00 0.00 C ATOM 233 CD2 PHE A 19 4.814 1.758 7.150 1.00 0.00 C ATOM 234 CE1 PHE A 19 7.129 0.881 5.930 1.00 0.00 C ATOM 235 CE2 PHE A 19 5.967 1.595 7.894 1.00 0.00 C ATOM 236 CZ PHE A 19 7.125 1.155 7.284 1.00 0.00 C ATOM 0 H PHE A 19 1.093 0.983 4.142 1.00 0.00 H new ATOM 0 HA PHE A 19 3.858 0.116 3.526 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.708 2.454 4.249 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.748 2.000 5.643 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.981 0.831 4.133 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.911 2.100 7.633 1.00 0.00 H new ATOM 0 HE1 PHE A 19 8.034 0.538 5.450 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.962 1.812 8.952 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.026 1.025 7.865 1.00 0.00 H new ATOM 246 N ILE A 20 3.811 -1.759 5.125 1.00 0.00 N ATOM 247 CA ILE A 20 3.779 -2.912 6.017 1.00 0.00 C ATOM 248 C ILE A 20 4.786 -2.756 7.152 1.00 0.00 C ATOM 249 O ILE A 20 5.944 -2.408 6.925 1.00 0.00 O ATOM 250 CB ILE A 20 4.076 -4.218 5.258 1.00 0.00 C ATOM 251 CG1 ILE A 20 3.288 -4.263 3.947 1.00 0.00 C ATOM 252 CG2 ILE A 20 3.740 -5.422 6.125 1.00 0.00 C ATOM 253 CD1 ILE A 20 4.025 -3.647 2.778 1.00 0.00 C ATOM 0 H ILE A 20 4.533 -1.802 4.406 1.00 0.00 H new ATOM 0 HA ILE A 20 2.772 -2.963 6.432 1.00 0.00 H new ATOM 0 HB ILE A 20 5.140 -4.249 5.022 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.050 -5.300 3.711 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.340 -3.742 4.084 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.955 -6.338 5.575 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.341 -5.395 7.034 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.683 -5.397 6.388 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.407 -3.714 1.882 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.239 -2.600 2.994 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.960 -4.182 2.615 1.00 0.00 H new ATOM 265 N ARG A 21 4.335 -3.019 8.375 1.00 0.00 N ATOM 266 CA ARG A 21 5.196 -2.909 9.546 1.00 0.00 C ATOM 267 C ARG A 21 5.314 -4.251 10.262 1.00 0.00 C ATOM 268 O ARG A 21 4.381 -5.053 10.255 1.00 0.00 O ATOM 269 CB ARG A 21 4.652 -1.851 10.508 1.00 0.00 C ATOM 270 CG ARG A 21 5.185 -0.453 10.240 1.00 0.00 C ATOM 271 CD ARG A 21 5.035 0.443 11.460 1.00 0.00 C ATOM 272 NE ARG A 21 6.193 0.361 12.346 1.00 0.00 N ATOM 273 CZ ARG A 21 6.259 0.966 13.527 1.00 0.00 C ATOM 274 NH1 ARG A 21 5.239 1.693 13.961 1.00 0.00 N ATOM 275 NH2 ARG A 21 7.347 0.843 14.276 1.00 0.00 N ATOM 0 H ARG A 21 3.379 -3.309 8.580 1.00 0.00 H new ATOM 0 HA ARG A 21 6.188 -2.608 9.209 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.564 -1.835 10.440 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.903 -2.137 11.529 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.236 -0.511 9.957 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.651 -0.014 9.397 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.898 1.475 11.137 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.137 0.159 12.010 1.00 0.00 H new ATOM 0 HE ARG A 21 6.995 -0.191 12.042 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.401 1.789 13.388 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.292 2.156 14.868 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.133 0.284 13.945 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.397 1.308 15.183 1.00 0.00 H new ATOM 289 N ASN A 22 6.467 -4.488 10.879 1.00 0.00 N ATOM 290 CA ASN A 22 6.707 -5.733 11.599 1.00 0.00 C ATOM 291 C ASN A 22 6.884 -6.897 10.629 1.00 0.00 C ATOM 292 O ASN A 22 6.234 -7.935 10.763 1.00 0.00 O ATOM 293 CB ASN A 22 5.550 -6.024 12.557 1.00 0.00 C ATOM 294 CG ASN A 22 5.930 -7.017 13.638 1.00 0.00 C ATOM 295 OD1 ASN A 22 6.740 -6.717 14.515 1.00 0.00 O ATOM 296 ND2 ASN A 22 5.345 -8.208 13.580 1.00 0.00 N ATOM 0 H ASN A 22 7.250 -3.834 10.895 1.00 0.00 H new ATOM 0 HA ASN A 22 7.626 -5.620 12.174 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.223 -5.093 13.021 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.703 -6.413 11.992 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.561 -8.917 14.280 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.679 -8.413 12.835 1.00 0.00 H new ATOM 303 N LEU A 23 7.767 -6.718 9.653 1.00 0.00 N ATOM 304 CA LEU A 23 8.030 -7.753 8.660 1.00 0.00 C ATOM 305 C LEU A 23 8.958 -8.824 9.223 1.00 0.00 C ATOM 306 O LEU A 23 9.601 -8.624 10.253 1.00 0.00 O ATOM 307 CB LEU A 23 8.648 -7.136 7.403 1.00 0.00 C ATOM 308 CG LEU A 23 7.727 -6.242 6.572 1.00 0.00 C ATOM 309 CD1 LEU A 23 8.535 -5.415 5.584 1.00 0.00 C ATOM 310 CD2 LEU A 23 6.686 -7.080 5.843 1.00 0.00 C ATOM 0 H LEU A 23 8.313 -5.866 9.528 1.00 0.00 H new ATOM 0 HA LEU A 23 7.081 -8.221 8.399 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.518 -6.551 7.700 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.009 -7.943 6.766 1.00 0.00 H new ATOM 0 HG LEU A 23 7.209 -5.560 7.246 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.863 -4.785 5.001 1.00 0.00 H new ATOM 0 HD12 LEU A 23 9.241 -4.787 6.127 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.081 -6.079 4.914 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.039 -6.427 5.257 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.186 -7.786 5.180 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.086 -7.628 6.570 1.00 0.00 H new ATOM 322 N SER A 24 9.025 -9.962 8.539 1.00 0.00 N ATOM 323 CA SER A 24 9.873 -11.066 8.972 1.00 0.00 C ATOM 324 C SER A 24 11.135 -11.148 8.119 1.00 0.00 C ATOM 325 O SER A 24 11.100 -10.903 6.913 1.00 0.00 O ATOM 326 CB SER A 24 9.105 -12.387 8.895 1.00 0.00 C ATOM 327 OG SER A 24 9.660 -13.351 9.774 1.00 0.00 O ATOM 0 H SER A 24 8.502 -10.143 7.682 1.00 0.00 H new ATOM 0 HA SER A 24 10.165 -10.884 10.006 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.058 -12.218 9.149 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.128 -12.766 7.873 1.00 0.00 H new ATOM 0 HG SER A 24 9.151 -14.186 9.708 1.00 0.00 H new ATOM 333 N PHE A 25 12.250 -11.495 8.754 1.00 0.00 N ATOM 334 CA PHE A 25 13.524 -11.609 8.055 1.00 0.00 C ATOM 335 C PHE A 25 13.385 -12.477 6.808 1.00 0.00 C ATOM 336 O PHE A 25 13.976 -12.187 5.768 1.00 0.00 O ATOM 337 CB PHE A 25 14.589 -12.197 8.984 1.00 0.00 C ATOM 338 CG PHE A 25 15.054 -11.241 10.045 1.00 0.00 C ATOM 339 CD1 PHE A 25 15.608 -10.019 9.700 1.00 0.00 C ATOM 340 CD2 PHE A 25 14.936 -11.564 11.387 1.00 0.00 C ATOM 341 CE1 PHE A 25 16.037 -9.137 10.674 1.00 0.00 C ATOM 342 CE2 PHE A 25 15.363 -10.686 12.366 1.00 0.00 C ATOM 343 CZ PHE A 25 15.914 -9.471 12.008 1.00 0.00 C ATOM 0 H PHE A 25 12.297 -11.702 9.752 1.00 0.00 H new ATOM 0 HA PHE A 25 13.832 -10.610 7.748 1.00 0.00 H new ATOM 0 HB2 PHE A 25 14.189 -13.091 9.462 1.00 0.00 H new ATOM 0 HB3 PHE A 25 15.446 -12.511 8.388 1.00 0.00 H new ATOM 0 HD1 PHE A 25 15.706 -9.752 8.658 1.00 0.00 H new ATOM 0 HD2 PHE A 25 14.505 -12.513 11.672 1.00 0.00 H new ATOM 0 HE1 PHE A 25 16.468 -8.188 10.392 1.00 0.00 H new ATOM 0 HE2 PHE A 25 15.266 -10.950 13.409 1.00 0.00 H new ATOM 0 HZ PHE A 25 16.248 -8.783 12.771 1.00 0.00 H new ATOM 353 N ASP A 26 12.601 -13.543 6.922 1.00 0.00 N ATOM 354 CA ASP A 26 12.383 -14.454 5.804 1.00 0.00 C ATOM 355 C ASP A 26 11.653 -13.751 4.664 1.00 0.00 C ATOM 356 O ASP A 26 11.919 -14.009 3.490 1.00 0.00 O ATOM 357 CB ASP A 26 11.583 -15.675 6.262 1.00 0.00 C ATOM 358 CG ASP A 26 12.466 -16.758 6.849 1.00 0.00 C ATOM 359 OD1 ASP A 26 12.966 -16.569 7.978 1.00 0.00 O ATOM 360 OD2 ASP A 26 12.656 -17.795 6.181 1.00 0.00 O ATOM 0 H ASP A 26 12.106 -13.798 7.777 1.00 0.00 H new ATOM 0 HA ASP A 26 13.357 -14.782 5.440 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.848 -15.366 7.006 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.029 -16.081 5.416 1.00 0.00 H new ATOM 365 N SER A 27 10.730 -12.862 5.018 1.00 0.00 N ATOM 366 CA SER A 27 9.957 -12.125 4.025 1.00 0.00 C ATOM 367 C SER A 27 10.848 -11.672 2.871 1.00 0.00 C ATOM 368 O SER A 27 12.029 -11.385 3.062 1.00 0.00 O ATOM 369 CB SER A 27 9.282 -10.913 4.669 1.00 0.00 C ATOM 370 OG SER A 27 10.170 -9.810 4.737 1.00 0.00 O ATOM 0 H SER A 27 10.499 -12.635 5.985 1.00 0.00 H new ATOM 0 HA SER A 27 9.190 -12.791 3.630 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.398 -10.637 4.094 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.942 -11.172 5.672 1.00 0.00 H new ATOM 0 HG SER A 27 10.880 -10.001 5.385 1.00 0.00 H new ATOM 376 N GLU A 28 10.270 -11.610 1.675 1.00 0.00 N ATOM 377 CA GLU A 28 11.011 -11.193 0.491 1.00 0.00 C ATOM 378 C GLU A 28 10.113 -10.415 -0.467 1.00 0.00 C ATOM 379 O GLU A 28 8.978 -10.811 -0.727 1.00 0.00 O ATOM 380 CB GLU A 28 11.603 -12.410 -0.223 1.00 0.00 C ATOM 381 CG GLU A 28 12.471 -13.279 0.673 1.00 0.00 C ATOM 382 CD GLU A 28 13.478 -14.100 -0.109 1.00 0.00 C ATOM 383 OE1 GLU A 28 14.567 -13.571 -0.413 1.00 0.00 O ATOM 384 OE2 GLU A 28 13.176 -15.272 -0.417 1.00 0.00 O ATOM 0 H GLU A 28 9.292 -11.843 1.501 1.00 0.00 H new ATOM 0 HA GLU A 28 11.822 -10.540 0.813 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.791 -13.015 -0.625 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.197 -12.070 -1.071 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.999 -12.646 1.386 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.834 -13.948 1.252 1.00 0.00 H new ATOM 391 N GLU A 29 10.632 -9.307 -0.986 1.00 0.00 N ATOM 392 CA GLU A 29 9.876 -8.473 -1.913 1.00 0.00 C ATOM 393 C GLU A 29 8.987 -9.327 -2.812 1.00 0.00 C ATOM 394 O GLU A 29 7.837 -8.977 -3.077 1.00 0.00 O ATOM 395 CB GLU A 29 10.826 -7.631 -2.768 1.00 0.00 C ATOM 396 CG GLU A 29 10.202 -6.348 -3.290 1.00 0.00 C ATOM 397 CD GLU A 29 11.205 -5.453 -3.990 1.00 0.00 C ATOM 398 OE1 GLU A 29 12.239 -5.123 -3.372 1.00 0.00 O ATOM 399 OE2 GLU A 29 10.957 -5.083 -5.157 1.00 0.00 O ATOM 0 H GLU A 29 11.571 -8.966 -0.781 1.00 0.00 H new ATOM 0 HA GLU A 29 9.240 -7.809 -1.328 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.708 -7.382 -2.178 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.167 -8.229 -3.613 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.397 -6.596 -3.982 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.752 -5.803 -2.460 1.00 0.00 H new ATOM 406 N GLU A 30 9.529 -10.447 -3.279 1.00 0.00 N ATOM 407 CA GLU A 30 8.786 -11.350 -4.149 1.00 0.00 C ATOM 408 C GLU A 30 7.566 -11.919 -3.430 1.00 0.00 C ATOM 409 O GLU A 30 6.459 -11.920 -3.968 1.00 0.00 O ATOM 410 CB GLU A 30 9.687 -12.491 -4.627 1.00 0.00 C ATOM 411 CG GLU A 30 10.765 -12.875 -3.628 1.00 0.00 C ATOM 412 CD GLU A 30 11.340 -14.253 -3.890 1.00 0.00 C ATOM 413 OE1 GLU A 30 10.661 -15.251 -3.570 1.00 0.00 O ATOM 414 OE2 GLU A 30 12.470 -14.333 -4.417 1.00 0.00 O ATOM 0 H GLU A 30 10.480 -10.751 -3.069 1.00 0.00 H new ATOM 0 HA GLU A 30 8.444 -10.780 -5.013 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.071 -13.365 -4.838 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.160 -12.201 -5.565 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.567 -12.138 -3.664 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.349 -12.845 -2.621 1.00 0.00 H new ATOM 421 N ALA A 31 7.778 -12.401 -2.209 1.00 0.00 N ATOM 422 CA ALA A 31 6.697 -12.971 -1.415 1.00 0.00 C ATOM 423 C ALA A 31 5.736 -11.887 -0.938 1.00 0.00 C ATOM 424 O ALA A 31 4.533 -11.954 -1.191 1.00 0.00 O ATOM 425 CB ALA A 31 7.261 -13.738 -0.228 1.00 0.00 C ATOM 0 H ALA A 31 8.688 -12.408 -1.749 1.00 0.00 H new ATOM 0 HA ALA A 31 6.140 -13.662 -2.048 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.442 -14.158 0.356 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.902 -14.544 -0.587 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.844 -13.062 0.398 1.00 0.00 H new ATOM 431 N LEU A 32 6.274 -10.889 -0.245 1.00 0.00 N ATOM 432 CA LEU A 32 5.464 -9.790 0.268 1.00 0.00 C ATOM 433 C LEU A 32 4.396 -9.383 -0.741 1.00 0.00 C ATOM 434 O LEU A 32 3.213 -9.304 -0.411 1.00 0.00 O ATOM 435 CB LEU A 32 6.351 -8.589 0.602 1.00 0.00 C ATOM 436 CG LEU A 32 5.677 -7.448 1.365 1.00 0.00 C ATOM 437 CD1 LEU A 32 6.713 -6.448 1.854 1.00 0.00 C ATOM 438 CD2 LEU A 32 4.640 -6.760 0.490 1.00 0.00 C ATOM 0 H LEU A 32 7.268 -10.819 -0.026 1.00 0.00 H new ATOM 0 HA LEU A 32 4.967 -10.131 1.176 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.199 -8.941 1.190 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.753 -8.189 -0.329 1.00 0.00 H new ATOM 0 HG LEU A 32 5.169 -7.868 2.233 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.215 -5.643 2.395 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.418 -6.949 2.518 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.250 -6.034 1.001 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.171 -5.951 1.050 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.125 -6.354 -0.398 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.880 -7.482 0.190 1.00 0.00 H new ATOM 450 N GLY A 33 4.821 -9.127 -1.975 1.00 0.00 N ATOM 451 CA GLY A 33 3.888 -8.733 -3.014 1.00 0.00 C ATOM 452 C GLY A 33 2.833 -9.789 -3.277 1.00 0.00 C ATOM 453 O GLY A 33 1.636 -9.515 -3.187 1.00 0.00 O ATOM 0 H GLY A 33 5.795 -9.186 -2.273 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.401 -7.801 -2.726 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.437 -8.535 -3.935 1.00 0.00 H new ATOM 457 N GLU A 34 3.277 -10.999 -3.603 1.00 0.00 N ATOM 458 CA GLU A 34 2.360 -12.098 -3.882 1.00 0.00 C ATOM 459 C GLU A 34 1.221 -12.127 -2.868 1.00 0.00 C ATOM 460 O GLU A 34 0.135 -12.633 -3.151 1.00 0.00 O ATOM 461 CB GLU A 34 3.109 -13.433 -3.862 1.00 0.00 C ATOM 462 CG GLU A 34 3.703 -13.817 -5.207 1.00 0.00 C ATOM 463 CD GLU A 34 4.767 -12.842 -5.674 1.00 0.00 C ATOM 464 OE1 GLU A 34 4.514 -11.620 -5.629 1.00 0.00 O ATOM 465 OE2 GLU A 34 5.853 -13.302 -6.085 1.00 0.00 O ATOM 0 H GLU A 34 4.264 -11.243 -3.680 1.00 0.00 H new ATOM 0 HA GLU A 34 1.936 -11.941 -4.874 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.908 -13.381 -3.123 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.426 -14.218 -3.538 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.135 -14.815 -5.138 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.908 -13.865 -5.951 1.00 0.00 H new ATOM 472 N VAL A 35 1.477 -11.581 -1.683 1.00 0.00 N ATOM 473 CA VAL A 35 0.473 -11.543 -0.626 1.00 0.00 C ATOM 474 C VAL A 35 -0.552 -10.444 -0.880 1.00 0.00 C ATOM 475 O VAL A 35 -1.760 -10.685 -0.841 1.00 0.00 O ATOM 476 CB VAL A 35 1.120 -11.317 0.754 1.00 0.00 C ATOM 477 CG1 VAL A 35 0.077 -11.423 1.856 1.00 0.00 C ATOM 478 CG2 VAL A 35 2.250 -12.309 0.981 1.00 0.00 C ATOM 0 H VAL A 35 2.371 -11.159 -1.431 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.028 -12.511 -0.631 1.00 0.00 H new ATOM 0 HB VAL A 35 1.540 -10.311 0.779 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.552 -11.261 2.823 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.695 -10.670 1.700 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.375 -12.415 1.835 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.696 -12.135 1.960 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.857 -13.325 0.936 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.009 -12.179 0.209 1.00 0.00 H new ATOM 488 N LEU A 36 -0.064 -9.237 -1.142 1.00 0.00 N ATOM 489 CA LEU A 36 -0.938 -8.099 -1.405 1.00 0.00 C ATOM 490 C LEU A 36 -1.531 -8.179 -2.808 1.00 0.00 C ATOM 491 O LEU A 36 -2.510 -7.501 -3.118 1.00 0.00 O ATOM 492 CB LEU A 36 -0.166 -6.789 -1.239 1.00 0.00 C ATOM 493 CG LEU A 36 0.571 -6.608 0.088 1.00 0.00 C ATOM 494 CD1 LEU A 36 1.383 -5.322 0.077 1.00 0.00 C ATOM 495 CD2 LEU A 36 -0.413 -6.609 1.249 1.00 0.00 C ATOM 0 H LEU A 36 0.932 -9.021 -1.178 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.755 -8.126 -0.684 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.560 -6.714 -2.048 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.865 -5.961 -1.360 1.00 0.00 H new ATOM 0 HG LEU A 36 1.257 -7.445 0.218 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.901 -5.210 1.030 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.114 -5.360 -0.731 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.717 -4.473 -0.076 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.129 -6.479 2.186 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.123 -5.792 1.125 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.951 -7.557 1.269 1.00 0.00 H new ATOM 507 N GLN A 37 -0.931 -9.014 -3.651 1.00 0.00 N ATOM 508 CA GLN A 37 -1.401 -9.184 -5.021 1.00 0.00 C ATOM 509 C GLN A 37 -2.764 -9.867 -5.048 1.00 0.00 C ATOM 510 O GLN A 37 -3.488 -9.786 -6.040 1.00 0.00 O ATOM 511 CB GLN A 37 -0.392 -10.000 -5.831 1.00 0.00 C ATOM 512 CG GLN A 37 0.856 -9.220 -6.212 1.00 0.00 C ATOM 513 CD GLN A 37 1.524 -9.761 -7.460 1.00 0.00 C ATOM 514 OE1 GLN A 37 2.686 -10.168 -7.430 1.00 0.00 O ATOM 515 NE2 GLN A 37 0.792 -9.769 -8.568 1.00 0.00 N ATOM 0 H GLN A 37 -0.119 -9.583 -3.409 1.00 0.00 H new ATOM 0 HA GLN A 37 -1.502 -8.196 -5.469 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.100 -10.877 -5.254 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.875 -10.362 -6.739 1.00 0.00 H new ATOM 0 HG2 GLN A 37 0.592 -8.174 -6.370 1.00 0.00 H new ATOM 0 HG3 GLN A 37 1.564 -9.248 -5.384 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.167 -9.422 -8.548 1.00 0.00 H new ATOM 0 HE22 GLN A 37 1.189 -10.122 -9.439 1.00 0.00 H new ATOM 524 N GLN A 38 -3.106 -10.538 -3.953 1.00 0.00 N ATOM 525 CA GLN A 38 -4.383 -11.236 -3.853 1.00 0.00 C ATOM 526 C GLN A 38 -5.548 -10.259 -3.976 1.00 0.00 C ATOM 527 O GLN A 38 -6.513 -10.516 -4.696 1.00 0.00 O ATOM 528 CB GLN A 38 -4.473 -11.991 -2.526 1.00 0.00 C ATOM 529 CG GLN A 38 -4.671 -11.084 -1.322 1.00 0.00 C ATOM 530 CD GLN A 38 -4.549 -11.826 -0.006 1.00 0.00 C ATOM 531 OE1 GLN A 38 -5.436 -11.755 0.845 1.00 0.00 O ATOM 532 NE2 GLN A 38 -3.445 -12.543 0.169 1.00 0.00 N ATOM 0 H GLN A 38 -2.518 -10.613 -3.123 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.443 -11.950 -4.674 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.300 -12.700 -2.576 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.562 -12.573 -2.386 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.934 -10.281 -1.352 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.654 -10.617 -1.382 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.735 -12.574 -0.563 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.307 -13.063 1.035 1.00 0.00 H new ATOM 541 N PHE A 39 -5.451 -9.138 -3.269 1.00 0.00 N ATOM 542 CA PHE A 39 -6.498 -8.123 -3.298 1.00 0.00 C ATOM 543 C PHE A 39 -6.586 -7.472 -4.675 1.00 0.00 C ATOM 544 O PHE A 39 -7.643 -7.465 -5.304 1.00 0.00 O ATOM 545 CB PHE A 39 -6.234 -7.057 -2.233 1.00 0.00 C ATOM 546 CG PHE A 39 -5.941 -7.627 -0.874 1.00 0.00 C ATOM 547 CD1 PHE A 39 -4.644 -7.949 -0.508 1.00 0.00 C ATOM 548 CD2 PHE A 39 -6.963 -7.840 0.037 1.00 0.00 C ATOM 549 CE1 PHE A 39 -4.372 -8.474 0.741 1.00 0.00 C ATOM 550 CE2 PHE A 39 -6.697 -8.365 1.288 1.00 0.00 C ATOM 551 CZ PHE A 39 -5.400 -8.681 1.641 1.00 0.00 C ATOM 0 H PHE A 39 -4.658 -8.909 -2.669 1.00 0.00 H new ATOM 0 HA PHE A 39 -7.449 -8.611 -3.085 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -5.393 -6.440 -2.549 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -7.102 -6.401 -2.164 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.836 -7.788 -1.207 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -7.979 -7.593 -0.233 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -3.357 -8.722 1.014 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.503 -8.528 1.988 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.189 -9.089 2.618 1.00 0.00 H new ATOM 561 N GLY A 40 -5.466 -6.924 -5.136 1.00 0.00 N ATOM 562 CA GLY A 40 -5.437 -6.277 -6.435 1.00 0.00 C ATOM 563 C GLY A 40 -4.044 -6.235 -7.031 1.00 0.00 C ATOM 564 O GLY A 40 -3.074 -6.635 -6.388 1.00 0.00 O ATOM 0 H GLY A 40 -4.578 -6.916 -4.633 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.104 -6.806 -7.116 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.819 -5.261 -6.340 1.00 0.00 H new ATOM 568 N ASP A 41 -3.944 -5.751 -8.264 1.00 0.00 N ATOM 569 CA ASP A 41 -2.659 -5.659 -8.948 1.00 0.00 C ATOM 570 C ASP A 41 -1.735 -4.674 -8.239 1.00 0.00 C ATOM 571 O ASP A 41 -2.077 -3.504 -8.060 1.00 0.00 O ATOM 572 CB ASP A 41 -2.861 -5.231 -10.402 1.00 0.00 C ATOM 573 CG ASP A 41 -3.489 -6.324 -11.245 1.00 0.00 C ATOM 574 OD1 ASP A 41 -4.652 -6.688 -10.975 1.00 0.00 O ATOM 575 OD2 ASP A 41 -2.817 -6.814 -12.176 1.00 0.00 O ATOM 0 H ASP A 41 -4.737 -5.416 -8.811 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.194 -6.644 -8.928 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.494 -4.344 -10.432 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.899 -4.951 -10.832 1.00 0.00 H new ATOM 580 N LEU A 42 -0.564 -5.154 -7.836 1.00 0.00 N ATOM 581 CA LEU A 42 0.409 -4.316 -7.144 1.00 0.00 C ATOM 582 C LEU A 42 1.227 -3.498 -8.139 1.00 0.00 C ATOM 583 O LEU A 42 1.991 -4.049 -8.932 1.00 0.00 O ATOM 584 CB LEU A 42 1.339 -5.179 -6.290 1.00 0.00 C ATOM 585 CG LEU A 42 0.839 -5.516 -4.885 1.00 0.00 C ATOM 586 CD1 LEU A 42 1.661 -6.645 -4.282 1.00 0.00 C ATOM 587 CD2 LEU A 42 0.884 -4.285 -3.992 1.00 0.00 C ATOM 0 H LEU A 42 -0.265 -6.119 -7.976 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.135 -3.629 -6.496 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.526 -6.112 -6.821 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.297 -4.667 -6.200 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.197 -5.848 -4.959 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.291 -6.871 -3.282 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.576 -7.532 -4.909 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.706 -6.342 -4.222 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.524 -4.544 -2.996 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.910 -3.922 -3.924 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.250 -3.505 -4.415 1.00 0.00 H new ATOM 599 N LYS A 43 1.064 -2.181 -8.089 1.00 0.00 N ATOM 600 CA LYS A 43 1.790 -1.285 -8.982 1.00 0.00 C ATOM 601 C LYS A 43 3.296 -1.434 -8.796 1.00 0.00 C ATOM 602 O LYS A 43 4.043 -1.548 -9.769 1.00 0.00 O ATOM 603 CB LYS A 43 1.375 0.166 -8.730 1.00 0.00 C ATOM 604 CG LYS A 43 2.221 1.180 -9.481 1.00 0.00 C ATOM 605 CD LYS A 43 1.718 1.383 -10.900 1.00 0.00 C ATOM 606 CE LYS A 43 2.731 2.138 -11.747 1.00 0.00 C ATOM 607 NZ LYS A 43 2.169 2.523 -13.072 1.00 0.00 N ATOM 0 H LYS A 43 0.435 -1.709 -7.439 1.00 0.00 H new ATOM 0 HA LYS A 43 1.540 -1.555 -10.008 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.331 0.292 -9.018 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.438 0.373 -7.662 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.207 2.132 -8.949 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.257 0.843 -9.506 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.510 0.415 -11.356 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.777 1.933 -10.879 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.054 3.033 -11.215 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.616 1.518 -11.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.890 3.035 -13.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.884 1.667 -13.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.340 3.135 -12.933 1.00 0.00 H new ATOM 621 N TYR A 44 3.736 -1.434 -7.543 1.00 0.00 N ATOM 622 CA TYR A 44 5.154 -1.568 -7.230 1.00 0.00 C ATOM 623 C TYR A 44 5.353 -2.005 -5.782 1.00 0.00 C ATOM 624 O TYR A 44 4.650 -1.548 -4.881 1.00 0.00 O ATOM 625 CB TYR A 44 5.880 -0.246 -7.481 1.00 0.00 C ATOM 626 CG TYR A 44 5.921 0.661 -6.272 1.00 0.00 C ATOM 627 CD1 TYR A 44 6.870 0.479 -5.274 1.00 0.00 C ATOM 628 CD2 TYR A 44 5.009 1.700 -6.127 1.00 0.00 C ATOM 629 CE1 TYR A 44 6.911 1.305 -4.167 1.00 0.00 C ATOM 630 CE2 TYR A 44 5.043 2.532 -5.025 1.00 0.00 C ATOM 631 CZ TYR A 44 5.996 2.330 -4.047 1.00 0.00 C ATOM 632 OH TYR A 44 6.032 3.155 -2.947 1.00 0.00 O ATOM 0 H TYR A 44 3.131 -1.343 -6.727 1.00 0.00 H new ATOM 0 HA TYR A 44 5.574 -2.334 -7.882 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.900 -0.457 -7.802 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.390 0.278 -8.301 1.00 0.00 H new ATOM 0 HD1 TYR A 44 7.588 -0.322 -5.365 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.261 1.859 -6.889 1.00 0.00 H new ATOM 0 HE1 TYR A 44 7.655 1.149 -3.400 1.00 0.00 H new ATOM 0 HE2 TYR A 44 4.328 3.336 -4.929 1.00 0.00 H new ATOM 0 HH TYR A 44 5.321 3.825 -3.017 1.00 0.00 H new ATOM 642 N VAL A 45 6.318 -2.893 -5.566 1.00 0.00 N ATOM 643 CA VAL A 45 6.614 -3.391 -4.228 1.00 0.00 C ATOM 644 C VAL A 45 8.096 -3.246 -3.902 1.00 0.00 C ATOM 645 O VAL A 45 8.942 -3.910 -4.502 1.00 0.00 O ATOM 646 CB VAL A 45 6.209 -4.869 -4.078 1.00 0.00 C ATOM 647 CG1 VAL A 45 6.671 -5.675 -5.282 1.00 0.00 C ATOM 648 CG2 VAL A 45 6.774 -5.448 -2.789 1.00 0.00 C ATOM 0 H VAL A 45 6.908 -3.283 -6.301 1.00 0.00 H new ATOM 0 HA VAL A 45 6.032 -2.789 -3.530 1.00 0.00 H new ATOM 0 HB VAL A 45 5.122 -4.926 -4.029 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.376 -6.717 -5.158 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.213 -5.274 -6.186 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.756 -5.613 -5.367 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.478 -6.493 -2.699 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.862 -5.379 -2.805 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.388 -4.887 -1.938 1.00 0.00 H new ATOM 658 N ARG A 46 8.404 -2.374 -2.948 1.00 0.00 N ATOM 659 CA ARG A 46 9.784 -2.141 -2.542 1.00 0.00 C ATOM 660 C ARG A 46 9.933 -2.254 -1.028 1.00 0.00 C ATOM 661 O ARG A 46 9.178 -1.643 -0.272 1.00 0.00 O ATOM 662 CB ARG A 46 10.249 -0.760 -3.009 1.00 0.00 C ATOM 663 CG ARG A 46 11.739 -0.685 -3.299 1.00 0.00 C ATOM 664 CD ARG A 46 12.089 -1.385 -4.603 1.00 0.00 C ATOM 665 NE ARG A 46 13.532 -1.505 -4.790 1.00 0.00 N ATOM 666 CZ ARG A 46 14.094 -2.354 -5.643 1.00 0.00 C ATOM 667 NH1 ARG A 46 13.339 -3.152 -6.384 1.00 0.00 N ATOM 668 NH2 ARG A 46 15.416 -2.404 -5.757 1.00 0.00 N ATOM 0 H ARG A 46 7.716 -1.817 -2.442 1.00 0.00 H new ATOM 0 HA ARG A 46 10.407 -2.904 -3.009 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.698 -0.485 -3.909 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.999 -0.024 -2.245 1.00 0.00 H new ATOM 0 HG2 ARG A 46 12.049 0.359 -3.351 1.00 0.00 H new ATOM 0 HG3 ARG A 46 12.294 -1.142 -2.479 1.00 0.00 H new ATOM 0 HD2 ARG A 46 11.638 -2.377 -4.614 1.00 0.00 H new ATOM 0 HD3 ARG A 46 11.660 -0.831 -5.438 1.00 0.00 H new ATOM 0 HE ARG A 46 14.142 -0.904 -4.235 1.00 0.00 H new ATOM 0 HH11 ARG A 46 12.323 -3.115 -6.300 1.00 0.00 H new ATOM 0 HH12 ARG A 46 13.774 -3.803 -7.038 1.00 0.00 H new ATOM 0 HH21 ARG A 46 16.000 -1.790 -5.189 1.00 0.00 H new ATOM 0 HH22 ARG A 46 15.847 -3.056 -6.412 1.00 0.00 H new ATOM 682 N VAL A 47 10.911 -3.042 -0.592 1.00 0.00 N ATOM 683 CA VAL A 47 11.159 -3.236 0.832 1.00 0.00 C ATOM 684 C VAL A 47 12.523 -2.686 1.232 1.00 0.00 C ATOM 685 O VAL A 47 13.548 -3.069 0.668 1.00 0.00 O ATOM 686 CB VAL A 47 11.085 -4.725 1.217 1.00 0.00 C ATOM 687 CG1 VAL A 47 11.914 -5.567 0.259 1.00 0.00 C ATOM 688 CG2 VAL A 47 11.545 -4.928 2.653 1.00 0.00 C ATOM 0 H VAL A 47 11.544 -3.556 -1.204 1.00 0.00 H new ATOM 0 HA VAL A 47 10.380 -2.692 1.366 1.00 0.00 H new ATOM 0 HB VAL A 47 10.047 -5.050 1.143 1.00 0.00 H new ATOM 0 HG11 VAL A 47 11.849 -6.616 0.547 1.00 0.00 H new ATOM 0 HG12 VAL A 47 11.533 -5.445 -0.755 1.00 0.00 H new ATOM 0 HG13 VAL A 47 12.954 -5.244 0.297 1.00 0.00 H new ATOM 0 HG21 VAL A 47 11.486 -5.986 2.908 1.00 0.00 H new ATOM 0 HG22 VAL A 47 12.575 -4.587 2.757 1.00 0.00 H new ATOM 0 HG23 VAL A 47 10.904 -4.357 3.325 1.00 0.00 H new ATOM 698 N VAL A 48 12.529 -1.786 2.210 1.00 0.00 N ATOM 699 CA VAL A 48 13.768 -1.184 2.687 1.00 0.00 C ATOM 700 C VAL A 48 14.648 -2.216 3.384 1.00 0.00 C ATOM 701 O VAL A 48 14.253 -2.808 4.389 1.00 0.00 O ATOM 702 CB VAL A 48 13.489 -0.023 3.660 1.00 0.00 C ATOM 703 CG1 VAL A 48 12.633 -0.496 4.825 1.00 0.00 C ATOM 704 CG2 VAL A 48 14.794 0.580 4.158 1.00 0.00 C ATOM 0 H VAL A 48 11.690 -1.458 2.687 1.00 0.00 H new ATOM 0 HA VAL A 48 14.290 -0.798 1.811 1.00 0.00 H new ATOM 0 HB VAL A 48 12.938 0.751 3.126 1.00 0.00 H new ATOM 0 HG11 VAL A 48 12.446 0.338 5.502 1.00 0.00 H new ATOM 0 HG12 VAL A 48 11.684 -0.877 4.448 1.00 0.00 H new ATOM 0 HG13 VAL A 48 13.155 -1.289 5.361 1.00 0.00 H new ATOM 0 HG21 VAL A 48 14.578 1.399 4.844 1.00 0.00 H new ATOM 0 HG22 VAL A 48 15.374 -0.184 4.676 1.00 0.00 H new ATOM 0 HG23 VAL A 48 15.367 0.958 3.311 1.00 0.00 H new ATOM 857 N GLY A 58 12.684 -4.251 8.470 1.00 0.00 N ATOM 858 CA GLY A 58 11.513 -4.693 9.205 1.00 0.00 C ATOM 859 C GLY A 58 10.233 -4.069 8.684 1.00 0.00 C ATOM 860 O GLY A 58 9.190 -4.142 9.335 1.00 0.00 O ATOM 0 HA2 GLY A 58 11.436 -5.778 9.142 1.00 0.00 H new ATOM 0 HA3 GLY A 58 11.633 -4.442 10.259 1.00 0.00 H new ATOM 864 N CYS A 59 10.312 -3.454 7.510 1.00 0.00 N ATOM 865 CA CYS A 59 9.151 -2.812 6.903 1.00 0.00 C ATOM 866 C CYS A 59 9.333 -2.673 5.395 1.00 0.00 C ATOM 867 O CYS A 59 10.439 -2.822 4.877 1.00 0.00 O ATOM 868 CB CYS A 59 8.916 -1.437 7.530 1.00 0.00 C ATOM 869 SG CYS A 59 10.254 -0.256 7.241 1.00 0.00 S ATOM 0 H CYS A 59 11.168 -3.386 6.959 1.00 0.00 H new ATOM 0 HA CYS A 59 8.280 -3.441 7.089 1.00 0.00 H new ATOM 0 HB2 CYS A 59 7.989 -1.023 7.135 1.00 0.00 H new ATOM 0 HB3 CYS A 59 8.778 -1.558 8.604 1.00 0.00 H new ATOM 0 HG CYS A 59 9.753 0.926 7.035 1.00 0.00 H new ATOM 875 N ALA A 60 8.239 -2.387 4.697 1.00 0.00 N ATOM 876 CA ALA A 60 8.277 -2.227 3.248 1.00 0.00 C ATOM 877 C ALA A 60 7.099 -1.394 2.756 1.00 0.00 C ATOM 878 O ALA A 60 6.045 -1.355 3.392 1.00 0.00 O ATOM 879 CB ALA A 60 8.286 -3.587 2.567 1.00 0.00 C ATOM 0 H ALA A 60 7.315 -2.261 5.111 1.00 0.00 H new ATOM 0 HA ALA A 60 9.194 -1.698 2.990 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.314 -3.452 1.486 1.00 0.00 H new ATOM 0 HB2 ALA A 60 9.164 -4.148 2.886 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.385 -4.137 2.841 1.00 0.00 H new ATOM 885 N PHE A 61 7.284 -0.728 1.622 1.00 0.00 N ATOM 886 CA PHE A 61 6.236 0.107 1.045 1.00 0.00 C ATOM 887 C PHE A 61 5.792 -0.436 -0.310 1.00 0.00 C ATOM 888 O PHE A 61 6.618 -0.816 -1.139 1.00 0.00 O ATOM 889 CB PHE A 61 6.727 1.548 0.894 1.00 0.00 C ATOM 890 CG PHE A 61 7.283 2.128 2.163 1.00 0.00 C ATOM 891 CD1 PHE A 61 8.596 1.889 2.532 1.00 0.00 C ATOM 892 CD2 PHE A 61 6.492 2.913 2.986 1.00 0.00 C ATOM 893 CE1 PHE A 61 9.110 2.421 3.700 1.00 0.00 C ATOM 894 CE2 PHE A 61 7.000 3.449 4.154 1.00 0.00 C ATOM 895 CZ PHE A 61 8.311 3.203 4.511 1.00 0.00 C ATOM 0 H PHE A 61 8.150 -0.750 1.083 1.00 0.00 H new ATOM 0 HA PHE A 61 5.381 0.091 1.721 1.00 0.00 H new ATOM 0 HB2 PHE A 61 7.495 1.583 0.121 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.901 2.171 0.551 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.226 1.280 1.900 1.00 0.00 H new ATOM 0 HD2 PHE A 61 5.466 3.108 2.711 1.00 0.00 H new ATOM 0 HE1 PHE A 61 10.135 2.225 3.978 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.373 4.059 4.787 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.711 3.621 5.423 1.00 0.00 H new ATOM 905 N ALA A 62 4.481 -0.470 -0.527 1.00 0.00 N ATOM 906 CA ALA A 62 3.927 -0.965 -1.781 1.00 0.00 C ATOM 907 C ALA A 62 2.817 -0.051 -2.289 1.00 0.00 C ATOM 908 O ALA A 62 2.352 0.834 -1.570 1.00 0.00 O ATOM 909 CB ALA A 62 3.407 -2.383 -1.605 1.00 0.00 C ATOM 0 H ALA A 62 3.783 -0.161 0.149 1.00 0.00 H new ATOM 0 HA ALA A 62 4.724 -0.972 -2.524 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.996 -2.740 -2.549 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.224 -3.034 -1.296 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.627 -2.393 -0.843 1.00 0.00 H new ATOM 915 N GLN A 63 2.397 -0.271 -3.530 1.00 0.00 N ATOM 916 CA GLN A 63 1.342 0.534 -4.134 1.00 0.00 C ATOM 917 C GLN A 63 0.352 -0.344 -4.891 1.00 0.00 C ATOM 918 O GLN A 63 0.745 -1.268 -5.604 1.00 0.00 O ATOM 919 CB GLN A 63 1.943 1.576 -5.078 1.00 0.00 C ATOM 920 CG GLN A 63 0.960 2.658 -5.496 1.00 0.00 C ATOM 921 CD GLN A 63 1.251 3.209 -6.878 1.00 0.00 C ATOM 922 OE1 GLN A 63 0.419 3.123 -7.781 1.00 0.00 O ATOM 923 NE2 GLN A 63 2.438 3.779 -7.051 1.00 0.00 N ATOM 0 H GLN A 63 2.771 -1.000 -4.137 1.00 0.00 H new ATOM 0 HA GLN A 63 0.807 1.045 -3.333 1.00 0.00 H new ATOM 0 HB2 GLN A 63 2.800 2.043 -4.592 1.00 0.00 H new ATOM 0 HB3 GLN A 63 2.318 1.073 -5.970 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.051 2.252 -5.477 1.00 0.00 H new ATOM 0 HG3 GLN A 63 0.991 3.471 -4.771 1.00 0.00 H new ATOM 0 HE21 GLN A 63 3.098 3.829 -6.275 1.00 0.00 H new ATOM 0 HE22 GLN A 63 2.690 4.167 -7.960 1.00 0.00 H new ATOM 932 N PHE A 64 -0.935 -0.051 -4.732 1.00 0.00 N ATOM 933 CA PHE A 64 -1.981 -0.816 -5.400 1.00 0.00 C ATOM 934 C PHE A 64 -2.384 -0.153 -6.714 1.00 0.00 C ATOM 935 O PHE A 64 -1.973 0.969 -7.007 1.00 0.00 O ATOM 936 CB PHE A 64 -3.203 -0.952 -4.489 1.00 0.00 C ATOM 937 CG PHE A 64 -3.167 -2.174 -3.616 1.00 0.00 C ATOM 938 CD1 PHE A 64 -3.331 -3.437 -4.162 1.00 0.00 C ATOM 939 CD2 PHE A 64 -2.969 -2.059 -2.249 1.00 0.00 C ATOM 940 CE1 PHE A 64 -3.297 -4.563 -3.362 1.00 0.00 C ATOM 941 CE2 PHE A 64 -2.934 -3.182 -1.444 1.00 0.00 C ATOM 942 CZ PHE A 64 -3.100 -4.436 -2.001 1.00 0.00 C ATOM 0 H PHE A 64 -1.278 0.711 -4.146 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.587 -1.808 -5.619 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.276 -0.066 -3.858 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -4.103 -0.981 -5.103 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.487 -3.542 -5.225 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.841 -1.081 -1.808 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -3.424 -5.542 -3.801 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -2.777 -3.080 -0.380 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.076 -5.315 -1.373 1.00 0.00 H new ATOM 952 N MET A 65 -3.191 -0.856 -7.501 1.00 0.00 N ATOM 953 CA MET A 65 -3.651 -0.337 -8.784 1.00 0.00 C ATOM 954 C MET A 65 -5.026 0.309 -8.648 1.00 0.00 C ATOM 955 O MET A 65 -5.536 0.913 -9.592 1.00 0.00 O ATOM 956 CB MET A 65 -3.702 -1.458 -9.824 1.00 0.00 C ATOM 957 CG MET A 65 -2.403 -1.631 -10.595 1.00 0.00 C ATOM 958 SD MET A 65 -2.344 -0.625 -12.091 1.00 0.00 S ATOM 959 CE MET A 65 -1.499 0.833 -11.485 1.00 0.00 C ATOM 0 H MET A 65 -3.540 -1.787 -7.273 1.00 0.00 H new ATOM 0 HA MET A 65 -2.943 0.423 -9.114 1.00 0.00 H new ATOM 0 HB2 MET A 65 -3.946 -2.395 -9.324 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.508 -1.253 -10.528 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.565 -1.367 -9.951 1.00 0.00 H new ATOM 0 HG3 MET A 65 -2.281 -2.681 -10.863 1.00 0.00 H new ATOM 0 HE1 MET A 65 -0.791 1.182 -12.237 1.00 0.00 H new ATOM 0 HE2 MET A 65 -2.228 1.617 -11.280 1.00 0.00 H new ATOM 0 HE3 MET A 65 -0.963 0.588 -10.568 1.00 0.00 H new ATOM 969 N THR A 66 -5.622 0.178 -7.467 1.00 0.00 N ATOM 970 CA THR A 66 -6.938 0.748 -7.208 1.00 0.00 C ATOM 971 C THR A 66 -7.096 1.123 -5.739 1.00 0.00 C ATOM 972 O THR A 66 -6.652 0.395 -4.852 1.00 0.00 O ATOM 973 CB THR A 66 -8.061 -0.232 -7.598 1.00 0.00 C ATOM 974 OG1 THR A 66 -7.814 -1.517 -7.017 1.00 0.00 O ATOM 975 CG2 THR A 66 -8.161 -0.365 -9.110 1.00 0.00 C ATOM 0 H THR A 66 -5.214 -0.318 -6.675 1.00 0.00 H new ATOM 0 HA THR A 66 -7.019 1.646 -7.821 1.00 0.00 H new ATOM 0 HB THR A 66 -9.004 0.162 -7.220 1.00 0.00 H new ATOM 0 HG1 THR A 66 -8.533 -2.133 -7.268 1.00 0.00 H new ATOM 0 HG21 THR A 66 -8.960 -1.062 -9.362 1.00 0.00 H new ATOM 0 HG22 THR A 66 -8.378 0.610 -9.547 1.00 0.00 H new ATOM 0 HG23 THR A 66 -7.216 -0.738 -9.506 1.00 0.00 H new ATOM 983 N GLN A 67 -7.730 2.264 -5.489 1.00 0.00 N ATOM 984 CA GLN A 67 -7.945 2.736 -4.126 1.00 0.00 C ATOM 985 C GLN A 67 -8.616 1.660 -3.278 1.00 0.00 C ATOM 986 O GLN A 67 -8.185 1.381 -2.160 1.00 0.00 O ATOM 987 CB GLN A 67 -8.800 4.004 -4.132 1.00 0.00 C ATOM 988 CG GLN A 67 -7.997 5.278 -4.342 1.00 0.00 C ATOM 989 CD GLN A 67 -8.871 6.471 -4.676 1.00 0.00 C ATOM 990 OE1 GLN A 67 -10.040 6.526 -4.291 1.00 0.00 O ATOM 991 NE2 GLN A 67 -8.309 7.435 -5.395 1.00 0.00 N ATOM 0 H GLN A 67 -8.104 2.879 -6.212 1.00 0.00 H new ATOM 0 HA GLN A 67 -6.973 2.964 -3.689 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -9.550 3.923 -4.919 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -9.337 4.075 -3.186 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -7.423 5.494 -3.441 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -7.279 5.122 -5.147 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -7.337 7.349 -5.693 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -8.849 8.262 -5.649 1.00 0.00 H new ATOM 1000 N GLU A 68 -9.673 1.061 -3.818 1.00 0.00 N ATOM 1001 CA GLU A 68 -10.403 0.017 -3.108 1.00 0.00 C ATOM 1002 C GLU A 68 -9.462 -1.097 -2.661 1.00 0.00 C ATOM 1003 O GLU A 68 -9.618 -1.658 -1.577 1.00 0.00 O ATOM 1004 CB GLU A 68 -11.507 -0.559 -3.998 1.00 0.00 C ATOM 1005 CG GLU A 68 -12.711 -1.067 -3.223 1.00 0.00 C ATOM 1006 CD GLU A 68 -13.387 0.024 -2.415 1.00 0.00 C ATOM 1007 OE1 GLU A 68 -13.968 0.943 -3.031 1.00 0.00 O ATOM 1008 OE2 GLU A 68 -13.337 -0.041 -1.169 1.00 0.00 O ATOM 0 H GLU A 68 -10.042 1.280 -4.743 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.856 0.463 -2.223 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.834 0.209 -4.699 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.095 -1.376 -4.590 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.431 -1.498 -3.919 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.396 -1.868 -2.554 1.00 0.00 H new ATOM 1015 N ALA A 69 -8.485 -1.413 -3.505 1.00 0.00 N ATOM 1016 CA ALA A 69 -7.517 -2.459 -3.197 1.00 0.00 C ATOM 1017 C ALA A 69 -6.791 -2.167 -1.888 1.00 0.00 C ATOM 1018 O ALA A 69 -6.880 -2.937 -0.933 1.00 0.00 O ATOM 1019 CB ALA A 69 -6.519 -2.606 -4.336 1.00 0.00 C ATOM 0 H ALA A 69 -8.343 -0.960 -4.408 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.058 -3.398 -3.080 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.802 -3.390 -4.093 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.048 -2.869 -5.252 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.991 -1.664 -4.481 1.00 0.00 H new ATOM 1025 N ALA A 70 -6.071 -1.050 -1.853 1.00 0.00 N ATOM 1026 CA ALA A 70 -5.331 -0.656 -0.661 1.00 0.00 C ATOM 1027 C ALA A 70 -6.178 -0.830 0.595 1.00 0.00 C ATOM 1028 O ALA A 70 -5.751 -1.465 1.558 1.00 0.00 O ATOM 1029 CB ALA A 70 -4.859 0.785 -0.786 1.00 0.00 C ATOM 0 H ALA A 70 -5.985 -0.403 -2.636 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.461 -1.306 -0.573 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.308 1.066 0.111 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.209 0.881 -1.656 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.721 1.441 -0.903 1.00 0.00 H new ATOM 1035 N GLN A 71 -7.380 -0.262 0.576 1.00 0.00 N ATOM 1036 CA GLN A 71 -8.286 -0.355 1.714 1.00 0.00 C ATOM 1037 C GLN A 71 -8.572 -1.811 2.066 1.00 0.00 C ATOM 1038 O GLN A 71 -8.543 -2.196 3.235 1.00 0.00 O ATOM 1039 CB GLN A 71 -9.595 0.376 1.412 1.00 0.00 C ATOM 1040 CG GLN A 71 -9.405 1.840 1.049 1.00 0.00 C ATOM 1041 CD GLN A 71 -8.270 2.489 1.816 1.00 0.00 C ATOM 1042 OE1 GLN A 71 -8.495 3.206 2.792 1.00 0.00 O ATOM 1043 NE2 GLN A 71 -7.041 2.240 1.379 1.00 0.00 N ATOM 0 H GLN A 71 -7.748 0.267 -0.215 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.803 0.118 2.569 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.103 -0.130 0.591 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.248 0.308 2.282 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.210 1.923 -0.020 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.329 2.382 1.247 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -6.901 1.640 0.566 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -6.237 2.649 1.856 1.00 0.00 H new ATOM 1052 N LYS A 72 -8.848 -2.617 1.046 1.00 0.00 N ATOM 1053 CA LYS A 72 -9.139 -4.032 1.246 1.00 0.00 C ATOM 1054 C LYS A 72 -7.974 -4.735 1.934 1.00 0.00 C ATOM 1055 O LYS A 72 -8.160 -5.746 2.612 1.00 0.00 O ATOM 1056 CB LYS A 72 -9.435 -4.707 -0.095 1.00 0.00 C ATOM 1057 CG LYS A 72 -10.804 -4.365 -0.659 1.00 0.00 C ATOM 1058 CD LYS A 72 -11.038 -5.040 -2.001 1.00 0.00 C ATOM 1059 CE LYS A 72 -12.365 -4.617 -2.612 1.00 0.00 C ATOM 1060 NZ LYS A 72 -12.951 -5.691 -3.462 1.00 0.00 N ATOM 0 H LYS A 72 -8.876 -2.314 0.072 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.017 -4.110 1.887 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.671 -4.415 -0.816 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -9.361 -5.788 0.028 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.576 -4.675 0.045 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.892 -3.285 -0.774 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.225 -4.789 -2.683 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.023 -6.122 -1.873 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.065 -4.360 -1.817 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.219 -3.718 -3.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -13.855 -5.364 -3.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.294 -5.919 -4.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -13.114 -6.540 -2.885 1.00 0.00 H new ATOM 1074 N CYS A 73 -6.774 -4.193 1.757 1.00 0.00 N ATOM 1075 CA CYS A 73 -5.578 -4.769 2.363 1.00 0.00 C ATOM 1076 C CYS A 73 -5.486 -4.402 3.840 1.00 0.00 C ATOM 1077 O CYS A 73 -4.953 -5.164 4.648 1.00 0.00 O ATOM 1078 CB CYS A 73 -4.327 -4.288 1.627 1.00 0.00 C ATOM 1079 SG CYS A 73 -2.775 -4.741 2.436 1.00 0.00 S ATOM 0 H CYS A 73 -6.603 -3.356 1.199 1.00 0.00 H new ATOM 0 HA CYS A 73 -5.645 -5.854 2.281 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -4.332 -4.699 0.618 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -4.370 -3.203 1.529 1.00 0.00 H new ATOM 0 HG CYS A 73 -2.998 -4.995 3.691 1.00 0.00 H new ATOM 1085 N LEU A 74 -6.008 -3.230 4.187 1.00 0.00 N ATOM 1086 CA LEU A 74 -5.984 -2.761 5.568 1.00 0.00 C ATOM 1087 C LEU A 74 -6.945 -3.568 6.434 1.00 0.00 C ATOM 1088 O LEU A 74 -6.524 -4.313 7.318 1.00 0.00 O ATOM 1089 CB LEU A 74 -6.348 -1.276 5.629 1.00 0.00 C ATOM 1090 CG LEU A 74 -5.628 -0.367 4.632 1.00 0.00 C ATOM 1091 CD1 LEU A 74 -6.190 1.044 4.694 1.00 0.00 C ATOM 1092 CD2 LEU A 74 -4.131 -0.359 4.901 1.00 0.00 C ATOM 0 H LEU A 74 -6.453 -2.588 3.531 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.974 -2.898 5.955 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -7.422 -1.179 5.469 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.142 -0.913 6.636 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.794 -0.758 3.628 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.665 1.676 3.978 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.252 1.024 4.450 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.056 1.445 5.699 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.636 0.293 4.182 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.945 0.007 5.911 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.738 -1.371 4.804 1.00 0.00 H new ATOM 1104 N ALA A 75 -8.239 -3.415 6.173 1.00 0.00 N ATOM 1105 CA ALA A 75 -9.261 -4.133 6.926 1.00 0.00 C ATOM 1106 C ALA A 75 -8.835 -5.572 7.194 1.00 0.00 C ATOM 1107 O ALA A 75 -9.217 -6.165 8.202 1.00 0.00 O ATOM 1108 CB ALA A 75 -10.586 -4.102 6.179 1.00 0.00 C ATOM 0 H ALA A 75 -8.605 -2.800 5.446 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.387 -3.635 7.887 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -11.340 -4.642 6.752 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.904 -3.068 6.045 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.465 -4.574 5.204 1.00 0.00 H new ATOM 1114 N ALA A 76 -8.042 -6.129 6.284 1.00 0.00 N ATOM 1115 CA ALA A 76 -7.564 -7.499 6.424 1.00 0.00 C ATOM 1116 C ALA A 76 -6.299 -7.555 7.273 1.00 0.00 C ATOM 1117 O ALA A 76 -6.083 -8.509 8.020 1.00 0.00 O ATOM 1118 CB ALA A 76 -7.310 -8.111 5.054 1.00 0.00 C ATOM 0 H ALA A 76 -7.717 -5.653 5.443 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.336 -8.077 6.931 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.953 -9.134 5.173 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.236 -8.114 4.479 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.558 -7.524 4.527 1.00 0.00 H new ATOM 1124 N ALA A 77 -5.465 -6.526 7.154 1.00 0.00 N ATOM 1125 CA ALA A 77 -4.222 -6.458 7.912 1.00 0.00 C ATOM 1126 C ALA A 77 -4.495 -6.226 9.394 1.00 0.00 C ATOM 1127 O ALA A 77 -3.706 -6.626 10.250 1.00 0.00 O ATOM 1128 CB ALA A 77 -3.327 -5.359 7.360 1.00 0.00 C ATOM 0 H ALA A 77 -5.628 -5.728 6.540 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.710 -7.415 7.809 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.402 -5.319 7.936 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.096 -5.568 6.316 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.841 -4.400 7.433 1.00 0.00 H new ATOM 1134 N SER A 78 -5.617 -5.578 9.690 1.00 0.00 N ATOM 1135 CA SER A 78 -5.992 -5.289 11.069 1.00 0.00 C ATOM 1136 C SER A 78 -6.386 -6.566 11.804 1.00 0.00 C ATOM 1137 O SER A 78 -7.455 -7.130 11.565 1.00 0.00 O ATOM 1138 CB SER A 78 -7.148 -4.288 11.107 1.00 0.00 C ATOM 1139 OG SER A 78 -7.113 -3.512 12.292 1.00 0.00 O ATOM 0 H SER A 78 -6.282 -5.243 8.993 1.00 0.00 H new ATOM 0 HA SER A 78 -5.128 -4.854 11.570 1.00 0.00 H new ATOM 0 HB2 SER A 78 -7.094 -3.632 10.238 1.00 0.00 H new ATOM 0 HB3 SER A 78 -8.097 -4.821 11.046 1.00 0.00 H new ATOM 0 HG SER A 78 -7.861 -2.879 12.291 1.00 0.00 H new ATOM 1225 N LEU A 86 -3.228 -10.211 8.786 1.00 0.00 N ATOM 1226 CA LEU A 86 -2.316 -10.955 7.924 1.00 0.00 C ATOM 1227 C LEU A 86 -1.021 -11.288 8.658 1.00 0.00 C ATOM 1228 O LEU A 86 -0.531 -10.497 9.465 1.00 0.00 O ATOM 1229 CB LEU A 86 -2.006 -10.150 6.660 1.00 0.00 C ATOM 1230 CG LEU A 86 -2.953 -10.364 5.479 1.00 0.00 C ATOM 1231 CD1 LEU A 86 -4.357 -9.895 5.828 1.00 0.00 C ATOM 1232 CD2 LEU A 86 -2.438 -9.639 4.244 1.00 0.00 C ATOM 0 HA LEU A 86 -2.803 -11.889 7.643 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.012 -9.091 6.917 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.994 -10.394 6.337 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.993 -11.431 5.259 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -5.017 -10.055 4.975 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.727 -10.459 6.684 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.335 -8.834 6.075 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.125 -9.802 3.413 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.368 -8.571 4.452 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.452 -10.023 3.981 1.00 0.00 H new ATOM 1244 N LYS A 87 -0.470 -12.463 8.373 1.00 0.00 N ATOM 1245 CA LYS A 87 0.770 -12.900 9.004 1.00 0.00 C ATOM 1246 C LYS A 87 1.690 -13.570 7.988 1.00 0.00 C ATOM 1247 O LYS A 87 1.255 -14.412 7.202 1.00 0.00 O ATOM 1248 CB LYS A 87 0.469 -13.867 10.151 1.00 0.00 C ATOM 1249 CG LYS A 87 -0.234 -13.215 11.329 1.00 0.00 C ATOM 1250 CD LYS A 87 0.095 -13.919 12.634 1.00 0.00 C ATOM 1251 CE LYS A 87 -0.480 -13.174 13.829 1.00 0.00 C ATOM 1252 NZ LYS A 87 -1.963 -13.297 13.898 1.00 0.00 N ATOM 0 H LYS A 87 -0.863 -13.130 7.709 1.00 0.00 H new ATOM 0 HA LYS A 87 1.276 -12.020 9.402 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -0.150 -14.682 9.775 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.403 -14.310 10.496 1.00 0.00 H new ATOM 0 HG2 LYS A 87 0.061 -12.168 11.395 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.312 -13.233 11.166 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -0.302 -14.934 12.611 1.00 0.00 H new ATOM 0 HD3 LYS A 87 1.177 -14.002 12.741 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -0.040 -13.565 14.747 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -0.205 -12.121 13.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -2.316 -12.776 14.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -2.385 -12.901 13.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -2.225 -14.300 13.983 1.00 0.00 H new ATOM 1266 N LEU A 88 2.963 -13.191 8.010 1.00 0.00 N ATOM 1267 CA LEU A 88 3.945 -13.757 7.092 1.00 0.00 C ATOM 1268 C LEU A 88 5.011 -14.542 7.850 1.00 0.00 C ATOM 1269 O LEU A 88 5.936 -13.962 8.418 1.00 0.00 O ATOM 1270 CB LEU A 88 4.602 -12.646 6.270 1.00 0.00 C ATOM 1271 CG LEU A 88 5.238 -13.077 4.948 1.00 0.00 C ATOM 1272 CD1 LEU A 88 4.191 -13.139 3.846 1.00 0.00 C ATOM 1273 CD2 LEU A 88 6.364 -12.127 4.563 1.00 0.00 C ATOM 0 H LEU A 88 3.339 -12.494 8.653 1.00 0.00 H new ATOM 0 HA LEU A 88 3.426 -14.441 6.420 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.851 -11.885 6.058 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.370 -12.173 6.883 1.00 0.00 H new ATOM 0 HG LEU A 88 5.658 -14.074 5.078 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.663 -13.447 2.913 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.419 -13.859 4.118 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.740 -12.155 3.717 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.805 -12.449 3.620 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.967 -11.118 4.452 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.127 -12.133 5.341 1.00 0.00 H new ATOM 1285 N ASP A 89 4.874 -15.863 7.853 1.00 0.00 N ATOM 1286 CA ASP A 89 5.827 -16.729 8.538 1.00 0.00 C ATOM 1287 C ASP A 89 5.679 -16.609 10.051 1.00 0.00 C ATOM 1288 O ASP A 89 6.635 -16.819 10.797 1.00 0.00 O ATOM 1289 CB ASP A 89 7.257 -16.378 8.123 1.00 0.00 C ATOM 1290 CG ASP A 89 8.224 -17.523 8.353 1.00 0.00 C ATOM 1291 OD1 ASP A 89 7.914 -18.656 7.928 1.00 0.00 O ATOM 1292 OD2 ASP A 89 9.290 -17.286 8.958 1.00 0.00 O ATOM 0 H ASP A 89 4.112 -16.358 7.389 1.00 0.00 H new ATOM 0 HA ASP A 89 5.616 -17.759 8.251 1.00 0.00 H new ATOM 0 HB2 ASP A 89 7.269 -16.102 7.068 1.00 0.00 H new ATOM 0 HB3 ASP A 89 7.591 -15.506 8.684 1.00 0.00 H new ATOM 1297 N GLY A 90 4.474 -16.268 10.498 1.00 0.00 N ATOM 1298 CA GLY A 90 4.224 -16.124 11.921 1.00 0.00 C ATOM 1299 C GLY A 90 4.519 -14.724 12.423 1.00 0.00 C ATOM 1300 O GLY A 90 4.699 -14.513 13.622 1.00 0.00 O ATOM 0 H GLY A 90 3.667 -16.089 9.901 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.183 -16.370 12.131 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.837 -16.840 12.469 1.00 0.00 H new ATOM 1304 N ARG A 91 4.571 -13.766 11.503 1.00 0.00 N ATOM 1305 CA ARG A 91 4.850 -12.380 11.859 1.00 0.00 C ATOM 1306 C ARG A 91 3.672 -11.479 11.500 1.00 0.00 C ATOM 1307 O ARG A 91 3.320 -11.339 10.329 1.00 0.00 O ATOM 1308 CB ARG A 91 6.114 -11.893 11.148 1.00 0.00 C ATOM 1309 CG ARG A 91 7.398 -12.244 11.880 1.00 0.00 C ATOM 1310 CD ARG A 91 7.781 -11.166 12.882 1.00 0.00 C ATOM 1311 NE ARG A 91 8.940 -11.550 13.683 1.00 0.00 N ATOM 1312 CZ ARG A 91 8.868 -12.339 14.750 1.00 0.00 C ATOM 1313 NH1 ARG A 91 7.698 -12.824 15.141 1.00 0.00 N ATOM 1314 NH2 ARG A 91 9.967 -12.643 15.427 1.00 0.00 N ATOM 0 H ARG A 91 4.424 -13.924 10.506 1.00 0.00 H new ATOM 0 HA ARG A 91 5.007 -12.332 12.937 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.147 -12.324 10.147 1.00 0.00 H new ATOM 0 HB3 ARG A 91 6.059 -10.811 11.027 1.00 0.00 H new ATOM 0 HG2 ARG A 91 7.275 -13.196 12.397 1.00 0.00 H new ATOM 0 HG3 ARG A 91 8.205 -12.375 11.159 1.00 0.00 H new ATOM 0 HD2 ARG A 91 7.998 -10.239 12.352 1.00 0.00 H new ATOM 0 HD3 ARG A 91 6.936 -10.966 13.540 1.00 0.00 H new ATOM 0 HE ARG A 91 9.855 -11.193 13.408 1.00 0.00 H new ATOM 0 HH11 ARG A 91 6.851 -12.592 14.623 1.00 0.00 H new ATOM 0 HH12 ARG A 91 7.645 -13.429 15.960 1.00 0.00 H new ATOM 0 HH21 ARG A 91 10.869 -12.271 15.129 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.910 -13.249 16.246 1.00 0.00 H new ATOM 1328 N GLN A 92 3.067 -10.872 12.516 1.00 0.00 N ATOM 1329 CA GLN A 92 1.928 -9.986 12.307 1.00 0.00 C ATOM 1330 C GLN A 92 2.317 -8.796 11.436 1.00 0.00 C ATOM 1331 O GLN A 92 3.188 -8.005 11.801 1.00 0.00 O ATOM 1332 CB GLN A 92 1.384 -9.495 13.650 1.00 0.00 C ATOM 1333 CG GLN A 92 -0.109 -9.209 13.633 1.00 0.00 C ATOM 1334 CD GLN A 92 -0.453 -7.943 12.873 1.00 0.00 C ATOM 1335 OE1 GLN A 92 0.112 -6.879 13.128 1.00 0.00 O ATOM 1336 NE2 GLN A 92 -1.383 -8.052 11.931 1.00 0.00 N ATOM 0 H GLN A 92 3.346 -10.977 13.491 1.00 0.00 H new ATOM 0 HA GLN A 92 1.150 -10.550 11.793 1.00 0.00 H new ATOM 0 HB2 GLN A 92 1.593 -10.244 14.413 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.916 -8.589 13.939 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -0.631 -10.052 13.181 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -0.470 -9.122 14.658 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -1.825 -8.954 11.753 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -1.655 -7.234 11.386 1.00 0.00 H new ATOM 1345 N LEU A 93 1.667 -8.675 10.284 1.00 0.00 N ATOM 1346 CA LEU A 93 1.944 -7.581 9.360 1.00 0.00 C ATOM 1347 C LEU A 93 0.973 -6.425 9.577 1.00 0.00 C ATOM 1348 O LEU A 93 -0.229 -6.632 9.741 1.00 0.00 O ATOM 1349 CB LEU A 93 1.854 -8.073 7.915 1.00 0.00 C ATOM 1350 CG LEU A 93 2.524 -9.415 7.619 1.00 0.00 C ATOM 1351 CD1 LEU A 93 2.312 -9.810 6.166 1.00 0.00 C ATOM 1352 CD2 LEU A 93 4.009 -9.354 7.946 1.00 0.00 C ATOM 0 H LEU A 93 0.944 -9.321 9.967 1.00 0.00 H new ATOM 0 HA LEU A 93 2.955 -7.223 9.553 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.801 -8.148 7.643 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.298 -7.317 7.267 1.00 0.00 H new ATOM 0 HG LEU A 93 2.064 -10.175 8.251 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.796 -10.768 5.975 1.00 0.00 H new ATOM 0 HD12 LEU A 93 1.244 -9.897 5.965 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.743 -9.049 5.515 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.469 -10.318 7.729 1.00 0.00 H new ATOM 0 HD22 LEU A 93 4.483 -8.581 7.341 1.00 0.00 H new ATOM 0 HD23 LEU A 93 4.140 -9.119 9.002 1.00 0.00 H new ATOM 1364 N LYS A 94 1.502 -5.206 9.575 1.00 0.00 N ATOM 1365 CA LYS A 94 0.683 -4.015 9.768 1.00 0.00 C ATOM 1366 C LYS A 94 0.679 -3.148 8.513 1.00 0.00 C ATOM 1367 O LYS A 94 1.643 -2.435 8.235 1.00 0.00 O ATOM 1368 CB LYS A 94 1.198 -3.204 10.959 1.00 0.00 C ATOM 1369 CG LYS A 94 0.561 -3.595 12.281 1.00 0.00 C ATOM 1370 CD LYS A 94 0.463 -2.407 13.225 1.00 0.00 C ATOM 1371 CE LYS A 94 -0.856 -1.669 13.056 1.00 0.00 C ATOM 1372 NZ LYS A 94 -0.843 -0.348 13.743 1.00 0.00 N ATOM 0 H LYS A 94 2.495 -5.017 9.442 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.339 -4.336 9.970 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.278 -3.330 11.034 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.013 -2.146 10.775 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.434 -4.001 12.101 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.148 -4.386 12.749 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.560 -2.750 14.255 1.00 0.00 H new ATOM 0 HD3 LYS A 94 1.291 -1.723 13.038 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -1.058 -1.525 11.995 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -1.667 -2.278 13.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -1.759 0.124 13.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -0.675 -0.487 14.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -0.085 0.243 13.345 1.00 0.00 H new ATOM 1386 N VAL A 95 -0.413 -3.214 7.758 1.00 0.00 N ATOM 1387 CA VAL A 95 -0.544 -2.432 6.533 1.00 0.00 C ATOM 1388 C VAL A 95 -1.327 -1.148 6.782 1.00 0.00 C ATOM 1389 O VAL A 95 -2.459 -1.183 7.264 1.00 0.00 O ATOM 1390 CB VAL A 95 -1.243 -3.241 5.424 1.00 0.00 C ATOM 1391 CG1 VAL A 95 -1.285 -2.444 4.129 1.00 0.00 C ATOM 1392 CG2 VAL A 95 -0.543 -4.575 5.216 1.00 0.00 C ATOM 0 H VAL A 95 -1.220 -3.800 7.972 1.00 0.00 H new ATOM 0 HA VAL A 95 0.465 -2.180 6.208 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.269 -3.440 5.734 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.782 -3.031 3.357 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.834 -1.517 4.290 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.268 -2.213 3.811 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.050 -5.133 4.429 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.493 -4.401 4.927 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.570 -5.148 6.143 1.00 0.00 H new ATOM 1402 N ASP A 96 -0.717 -0.016 6.449 1.00 0.00 N ATOM 1403 CA ASP A 96 -1.357 1.281 6.634 1.00 0.00 C ATOM 1404 C ASP A 96 -1.135 2.175 5.419 1.00 0.00 C ATOM 1405 O ASP A 96 -0.073 2.141 4.795 1.00 0.00 O ATOM 1406 CB ASP A 96 -0.818 1.965 7.891 1.00 0.00 C ATOM 1407 CG ASP A 96 -1.748 3.046 8.407 1.00 0.00 C ATOM 1408 OD1 ASP A 96 -2.923 2.732 8.691 1.00 0.00 O ATOM 1409 OD2 ASP A 96 -1.300 4.205 8.526 1.00 0.00 O ATOM 0 H ASP A 96 0.220 0.030 6.049 1.00 0.00 H new ATOM 0 HA ASP A 96 -2.428 1.116 6.750 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -0.666 1.218 8.670 1.00 0.00 H new ATOM 0 HB3 ASP A 96 0.157 2.402 7.674 1.00 0.00 H new ATOM 1414 N LEU A 97 -2.144 2.973 5.086 1.00 0.00 N ATOM 1415 CA LEU A 97 -2.060 3.876 3.943 1.00 0.00 C ATOM 1416 C LEU A 97 -0.940 4.895 4.135 1.00 0.00 C ATOM 1417 O LEU A 97 -1.107 5.889 4.841 1.00 0.00 O ATOM 1418 CB LEU A 97 -3.392 4.599 3.740 1.00 0.00 C ATOM 1419 CG LEU A 97 -3.567 5.323 2.405 1.00 0.00 C ATOM 1420 CD1 LEU A 97 -2.238 5.885 1.925 1.00 0.00 C ATOM 1421 CD2 LEU A 97 -4.159 4.385 1.363 1.00 0.00 C ATOM 0 H LEU A 97 -3.029 3.013 5.591 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.838 3.281 3.057 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.197 3.871 3.844 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.514 5.326 4.543 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.258 6.153 2.551 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.382 6.397 0.973 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.854 6.590 2.662 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.525 5.071 1.795 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.277 4.917 0.419 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.493 3.534 1.219 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.132 4.031 1.703 1.00 0.00 H new ATOM 1433 N ALA A 98 0.200 4.640 3.501 1.00 0.00 N ATOM 1434 CA ALA A 98 1.345 5.536 3.599 1.00 0.00 C ATOM 1435 C ALA A 98 1.225 6.690 2.609 1.00 0.00 C ATOM 1436 O ALA A 98 0.307 6.726 1.790 1.00 0.00 O ATOM 1437 CB ALA A 98 2.637 4.769 3.364 1.00 0.00 C ATOM 0 H ALA A 98 0.355 3.820 2.914 1.00 0.00 H new ATOM 0 HA ALA A 98 1.362 5.955 4.605 1.00 0.00 H new ATOM 0 HB1 ALA A 98 3.484 5.451 3.440 1.00 0.00 H new ATOM 0 HB2 ALA A 98 2.735 3.983 4.113 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.619 4.322 2.370 1.00 0.00 H new ATOM 1443 N VAL A 99 2.159 7.633 2.690 1.00 0.00 N ATOM 1444 CA VAL A 99 2.158 8.788 1.800 1.00 0.00 C ATOM 1445 C VAL A 99 3.574 9.299 1.562 1.00 0.00 C ATOM 1446 O VAL A 99 4.356 9.459 2.500 1.00 0.00 O ATOM 1447 CB VAL A 99 1.300 9.934 2.370 1.00 0.00 C ATOM 1448 CG1 VAL A 99 2.028 10.631 3.509 1.00 0.00 C ATOM 1449 CG2 VAL A 99 0.938 10.923 1.272 1.00 0.00 C ATOM 0 H VAL A 99 2.926 7.620 3.363 1.00 0.00 H new ATOM 0 HA VAL A 99 1.730 8.458 0.853 1.00 0.00 H new ATOM 0 HB VAL A 99 0.377 9.512 2.767 1.00 0.00 H new ATOM 0 HG11 VAL A 99 1.407 11.437 3.899 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.232 9.913 4.304 1.00 0.00 H new ATOM 0 HG13 VAL A 99 2.968 11.043 3.142 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.332 11.726 1.691 1.00 0.00 H new ATOM 0 HG22 VAL A 99 1.849 11.341 0.844 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.373 10.411 0.493 1.00 0.00 H new