USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 474 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 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 51:sc= 0.136 USER MOD Single : A 18 MET CE :methyl 169:sc= -0.0139 (180deg=-0.203) USER MOD Single : A 19 GLN : amide:sc= -0.746 X(o=-0.75,f=-0.47) USER MOD Single : A 34 SER OG : rot 171:sc= 1.15 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -163:sc= -0.0921 (180deg=-0.473) USER MOD Single : A 58 TYR OH : rot -66:sc= 0.0052 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 150:sc= 0.0865 USER MOD Single : A 74 THR OG1 : rot -2:sc= -0.614 USER MOD Single : A 76 GLN : amide:sc= -0.27 K(o=-0.27,f=-1.2) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 SER OG : rot 99:sc=-0.00283 USER MOD ----------------------------------------------------------------- ATOM 163 N ARG A 13 1.818 10.072 -1.634 1.00 52.13 N ATOM 164 CA ARG A 13 1.795 9.013 -2.641 1.00 72.00 C ATOM 165 C ARG A 13 2.135 7.677 -2.006 1.00 22.15 C ATOM 166 O ARG A 13 3.162 7.089 -2.339 1.00 10.24 O ATOM 167 CB ARG A 13 2.761 9.332 -3.791 1.00 63.31 C ATOM 168 CG ARG A 13 2.489 10.653 -4.504 1.00 31.21 C ATOM 169 CD ARG A 13 3.648 10.864 -5.472 1.00 61.31 C ATOM 170 NE ARG A 13 3.493 12.074 -6.284 1.00 41.31 N ATOM 171 CZ ARG A 13 4.462 12.592 -7.043 1.00 65.44 C ATOM 172 NH1 ARG A 13 5.718 12.168 -6.901 1.00 1.12 N ATOM 173 NH2 ARG A 13 4.149 13.516 -7.944 1.00 5.24 N ATOM 0 HA ARG A 13 0.789 8.953 -3.056 1.00 72.00 H new ATOM 0 HB2 ARG A 13 3.778 9.349 -3.399 1.00 63.31 H new ATOM 0 HB3 ARG A 13 2.714 8.524 -4.521 1.00 63.31 H new ATOM 0 HG2 ARG A 13 1.539 10.619 -5.037 1.00 31.21 H new ATOM 0 HG3 ARG A 13 2.424 11.474 -3.790 1.00 31.21 H new ATOM 0 HD2 ARG A 13 4.579 10.926 -4.909 1.00 61.31 H new ATOM 0 HD3 ARG A 13 3.729 9.998 -6.129 1.00 61.31 H new ATOM 0 HE ARG A 13 2.591 12.549 -6.269 1.00 41.31 H new ATOM 0 HH11 ARG A 13 5.939 11.448 -6.213 1.00 1.12 H new ATOM 0 HH12 ARG A 13 6.458 12.563 -7.481 1.00 1.12 H new ATOM 0 HH21 ARG A 13 3.181 13.820 -8.048 1.00 5.24 H new ATOM 0 HH22 ARG A 13 4.877 13.922 -8.532 1.00 5.24 H new ATOM 184 N THR A 14 1.335 7.174 -1.081 1.00 71.32 N ATOM 185 CA THR A 14 1.703 5.971 -0.355 1.00 53.31 C ATOM 186 C THR A 14 0.496 5.039 -0.279 1.00 74.34 C ATOM 187 O THR A 14 -0.634 5.513 -0.228 1.00 62.14 O ATOM 188 CB THR A 14 2.267 6.350 1.029 1.00 45.20 C ATOM 189 OG1 THR A 14 2.475 7.736 1.242 1.00 54.51 O ATOM 190 CG2 THR A 14 3.591 5.649 1.294 1.00 33.41 C ATOM 0 H THR A 14 0.435 7.575 -0.817 1.00 71.32 H new ATOM 0 HA THR A 14 2.493 5.431 -0.877 1.00 53.31 H new ATOM 0 HB THR A 14 1.486 6.025 1.716 1.00 45.20 H new ATOM 0 HG1 THR A 14 2.831 7.879 2.144 1.00 54.51 H new ATOM 0 HG21 THR A 14 3.964 5.936 2.277 1.00 33.41 H new ATOM 0 HG22 THR A 14 3.444 4.569 1.262 1.00 33.41 H new ATOM 0 HG23 THR A 14 4.315 5.939 0.532 1.00 33.41 H new ATOM 198 N VAL A 15 0.701 3.720 -0.253 1.00 63.10 N ATOM 199 CA VAL A 15 -0.374 2.756 -0.022 1.00 22.22 C ATOM 200 C VAL A 15 -0.035 1.805 1.129 1.00 10.11 C ATOM 201 O VAL A 15 0.916 1.017 1.071 1.00 43.42 O ATOM 202 CB VAL A 15 -0.835 2.056 -1.317 1.00 13.31 C ATOM 203 CG1 VAL A 15 -1.562 3.076 -2.196 1.00 32.03 C ATOM 204 CG2 VAL A 15 0.262 1.377 -2.150 1.00 11.23 C ATOM 0 H VAL A 15 1.616 3.292 -0.391 1.00 63.10 H new ATOM 0 HA VAL A 15 -1.253 3.311 0.306 1.00 22.22 H new ATOM 0 HB VAL A 15 -1.480 1.243 -0.984 1.00 13.31 H new ATOM 0 HG11 VAL A 15 -1.893 2.593 -3.115 1.00 32.03 H new ATOM 0 HG12 VAL A 15 -2.426 3.468 -1.660 1.00 32.03 H new ATOM 0 HG13 VAL A 15 -0.885 3.895 -2.440 1.00 32.03 H new ATOM 0 HG21 VAL A 15 -0.183 0.920 -3.034 1.00 11.23 H new ATOM 0 HG22 VAL A 15 0.998 2.120 -2.457 1.00 11.23 H new ATOM 0 HG23 VAL A 15 0.750 0.608 -1.551 1.00 11.23 H new ATOM 214 N PHE A 16 -0.827 1.918 2.205 1.00 44.21 N ATOM 215 CA PHE A 16 -0.597 1.239 3.469 1.00 51.14 C ATOM 216 C PHE A 16 -1.166 -0.167 3.409 1.00 21.04 C ATOM 217 O PHE A 16 -2.350 -0.407 3.658 1.00 5.41 O ATOM 218 CB PHE A 16 -1.122 2.041 4.669 1.00 65.14 C ATOM 219 CG PHE A 16 -0.895 1.390 6.027 1.00 42.12 C ATOM 220 CD1 PHE A 16 0.347 0.804 6.334 1.00 31.04 C ATOM 221 CD2 PHE A 16 -1.920 1.368 6.992 1.00 22.32 C ATOM 222 CE1 PHE A 16 0.538 0.130 7.549 1.00 13.42 C ATOM 223 CE2 PHE A 16 -1.705 0.750 8.237 1.00 33.11 C ATOM 224 CZ PHE A 16 -0.492 0.097 8.500 1.00 73.34 C ATOM 0 H PHE A 16 -1.664 2.501 2.211 1.00 44.21 H new ATOM 0 HA PHE A 16 0.479 1.161 3.626 1.00 51.14 H new ATOM 0 HB2 PHE A 16 -0.645 3.021 4.668 1.00 65.14 H new ATOM 0 HB3 PHE A 16 -2.191 2.207 4.536 1.00 65.14 H new ATOM 0 HD1 PHE A 16 1.161 0.874 5.627 1.00 31.04 H new ATOM 0 HD2 PHE A 16 -2.874 1.827 6.776 1.00 22.32 H new ATOM 0 HE1 PHE A 16 1.477 -0.363 7.752 1.00 13.42 H new ATOM 0 HE2 PHE A 16 -2.476 0.778 8.993 1.00 33.11 H new ATOM 0 HZ PHE A 16 -0.352 -0.430 9.432 1.00 73.34 H new ATOM 233 N CYS A 17 -0.298 -1.093 3.042 1.00 1.45 N ATOM 234 CA CYS A 17 -0.600 -2.502 2.946 1.00 24.42 C ATOM 235 C CYS A 17 -0.568 -3.092 4.354 1.00 72.33 C ATOM 236 O CYS A 17 0.492 -3.482 4.837 1.00 71.45 O ATOM 237 CB CYS A 17 0.410 -3.188 2.032 1.00 23.11 C ATOM 238 SG CYS A 17 0.470 -2.386 0.405 1.00 4.51 S ATOM 0 H CYS A 17 0.667 -0.873 2.795 1.00 1.45 H new ATOM 0 HA CYS A 17 -1.589 -2.657 2.515 1.00 24.42 H new ATOM 0 HB2 CYS A 17 1.398 -3.160 2.491 1.00 23.11 H new ATOM 0 HB3 CYS A 17 0.143 -4.238 1.914 1.00 23.11 H new ATOM 0 HG CYS A 17 0.633 -1.105 0.558 1.00 4.51 H new ATOM 243 N MET A 18 -1.710 -3.137 5.042 1.00 32.22 N ATOM 244 CA MET A 18 -1.777 -3.562 6.443 1.00 71.41 C ATOM 245 C MET A 18 -2.088 -5.066 6.607 1.00 21.43 C ATOM 246 O MET A 18 -2.494 -5.489 7.688 1.00 50.51 O ATOM 247 CB MET A 18 -2.766 -2.657 7.212 1.00 25.34 C ATOM 248 CG MET A 18 -2.607 -2.704 8.750 1.00 11.41 C ATOM 249 SD MET A 18 -3.745 -1.699 9.741 1.00 50.33 S ATOM 250 CE MET A 18 -5.320 -2.463 9.284 1.00 65.01 C ATOM 0 H MET A 18 -2.614 -2.880 4.645 1.00 32.22 H new ATOM 0 HA MET A 18 -0.787 -3.440 6.881 1.00 71.41 H new ATOM 0 HB2 MET A 18 -2.636 -1.628 6.876 1.00 25.34 H new ATOM 0 HB3 MET A 18 -3.784 -2.950 6.954 1.00 25.34 H new ATOM 0 HG2 MET A 18 -2.711 -3.742 9.067 1.00 11.41 H new ATOM 0 HG3 MET A 18 -1.589 -2.397 8.992 1.00 11.41 H new ATOM 0 HE1 MET A 18 -6.106 -2.100 9.946 1.00 65.01 H new ATOM 0 HE2 MET A 18 -5.565 -2.204 8.254 1.00 65.01 H new ATOM 0 HE3 MET A 18 -5.239 -3.546 9.377 1.00 65.01 H new ATOM 258 N GLN A 19 -1.977 -5.889 5.559 1.00 51.52 N ATOM 259 CA GLN A 19 -2.545 -7.241 5.558 1.00 5.13 C ATOM 260 C GLN A 19 -1.589 -8.272 4.936 1.00 21.34 C ATOM 261 O GLN A 19 -2.002 -9.195 4.233 1.00 30.22 O ATOM 262 CB GLN A 19 -3.954 -7.147 4.945 1.00 11.50 C ATOM 263 CG GLN A 19 -4.875 -8.274 5.438 1.00 74.12 C ATOM 264 CD GLN A 19 -6.345 -8.048 5.085 1.00 65.25 C ATOM 265 OE1 GLN A 19 -7.230 -8.363 5.877 1.00 44.45 O ATOM 266 NE2 GLN A 19 -6.661 -7.463 3.942 1.00 11.20 N ATOM 0 H GLN A 19 -1.495 -5.640 4.695 1.00 51.52 H new ATOM 0 HA GLN A 19 -2.663 -7.634 6.568 1.00 5.13 H new ATOM 0 HB2 GLN A 19 -4.395 -6.183 5.197 1.00 11.50 H new ATOM 0 HB3 GLN A 19 -3.880 -7.189 3.858 1.00 11.50 H new ATOM 0 HG2 GLN A 19 -4.545 -9.219 5.006 1.00 74.12 H new ATOM 0 HG3 GLN A 19 -4.778 -8.367 6.520 1.00 74.12 H new ATOM 0 HE21 GLN A 19 -5.928 -7.201 3.283 1.00 11.20 H new ATOM 0 HE22 GLN A 19 -7.638 -7.274 3.719 1.00 11.20 H new ATOM 273 N LEU A 20 -0.288 -8.089 5.174 1.00 45.24 N ATOM 274 CA LEU A 20 0.776 -8.846 4.522 1.00 74.31 C ATOM 275 C LEU A 20 0.956 -10.245 5.121 1.00 43.25 C ATOM 276 O LEU A 20 0.837 -10.420 6.335 1.00 25.34 O ATOM 277 CB LEU A 20 2.085 -8.039 4.582 1.00 54.15 C ATOM 278 CG LEU A 20 2.028 -6.671 3.882 1.00 4.20 C ATOM 279 CD1 LEU A 20 3.422 -6.045 3.881 1.00 31.24 C ATOM 280 CD2 LEU A 20 1.517 -6.750 2.440 1.00 21.34 C ATOM 0 H LEU A 20 0.059 -7.397 5.838 1.00 45.24 H new ATOM 0 HA LEU A 20 0.492 -9.001 3.481 1.00 74.31 H new ATOM 0 HB2 LEU A 20 2.354 -7.886 5.627 1.00 54.15 H new ATOM 0 HB3 LEU A 20 2.882 -8.630 4.130 1.00 54.15 H new ATOM 0 HG LEU A 20 1.320 -6.060 4.442 1.00 4.20 H new ATOM 0 HD11 LEU A 20 3.385 -5.075 3.385 1.00 31.24 H new ATOM 0 HD12 LEU A 20 3.763 -5.915 4.908 1.00 31.24 H new ATOM 0 HD13 LEU A 20 4.114 -6.698 3.349 1.00 31.24 H new ATOM 0 HD21 LEU A 20 1.502 -5.751 2.004 1.00 21.34 H new ATOM 0 HD22 LEU A 20 2.176 -7.391 1.855 1.00 21.34 H new ATOM 0 HD23 LEU A 20 0.509 -7.164 2.433 1.00 21.34 H new ATOM 291 N ALA A 21 1.306 -11.221 4.279 1.00 31.10 N ATOM 292 CA ALA A 21 1.832 -12.530 4.644 1.00 71.13 C ATOM 293 C ALA A 21 3.267 -12.389 5.154 1.00 32.40 C ATOM 294 O ALA A 21 4.051 -11.589 4.631 1.00 34.04 O ATOM 295 CB ALA A 21 1.855 -13.481 3.440 1.00 4.24 C ATOM 0 H ALA A 21 1.224 -11.108 3.269 1.00 31.10 H new ATOM 0 HA ALA A 21 1.180 -12.938 5.416 1.00 71.13 H new ATOM 0 HB1 ALA A 21 2.253 -14.448 3.748 1.00 4.24 H new ATOM 0 HB2 ALA A 21 0.842 -13.610 3.059 1.00 4.24 H new ATOM 0 HB3 ALA A 21 2.487 -13.061 2.657 1.00 4.24 H new ATOM 301 N ALA A 22 3.639 -13.262 6.091 1.00 3.51 N ATOM 302 CA ALA A 22 4.865 -13.203 6.879 1.00 64.15 C ATOM 303 C ALA A 22 6.183 -13.457 6.115 1.00 14.13 C ATOM 304 O ALA A 22 7.233 -13.435 6.757 1.00 25.30 O ATOM 305 CB ALA A 22 4.717 -14.225 8.017 1.00 42.51 C ATOM 0 H ALA A 22 3.063 -14.069 6.331 1.00 3.51 H new ATOM 0 HA ALA A 22 4.964 -12.175 7.227 1.00 64.15 H new ATOM 0 HB1 ALA A 22 5.615 -14.215 8.634 1.00 42.51 H new ATOM 0 HB2 ALA A 22 3.853 -13.966 8.629 1.00 42.51 H new ATOM 0 HB3 ALA A 22 4.577 -15.221 7.596 1.00 42.51 H new ATOM 311 N ARG A 23 6.168 -13.735 4.800 1.00 72.31 N ATOM 312 CA ARG A 23 7.331 -14.269 4.061 1.00 34.03 C ATOM 313 C ARG A 23 7.778 -13.402 2.880 1.00 24.01 C ATOM 314 O ARG A 23 8.717 -13.764 2.175 1.00 31.12 O ATOM 315 CB ARG A 23 6.991 -15.703 3.590 1.00 70.01 C ATOM 316 CG ARG A 23 8.205 -16.607 3.307 1.00 61.25 C ATOM 317 CD ARG A 23 8.951 -16.992 4.591 1.00 43.54 C ATOM 318 NE ARG A 23 10.396 -17.127 4.351 1.00 62.31 N ATOM 319 CZ ARG A 23 11.209 -18.046 4.880 1.00 10.13 C ATOM 320 NH1 ARG A 23 10.743 -18.971 5.713 1.00 54.34 N ATOM 321 NH2 ARG A 23 12.505 -18.029 4.587 1.00 73.24 N ATOM 0 H ARG A 23 5.345 -13.596 4.214 1.00 72.31 H new ATOM 0 HA ARG A 23 8.180 -14.270 4.744 1.00 34.03 H new ATOM 0 HB2 ARG A 23 6.372 -16.180 4.350 1.00 70.01 H new ATOM 0 HB3 ARG A 23 6.389 -15.637 2.684 1.00 70.01 H new ATOM 0 HG2 ARG A 23 7.872 -17.511 2.797 1.00 61.25 H new ATOM 0 HG3 ARG A 23 8.889 -16.093 2.631 1.00 61.25 H new ATOM 0 HD2 ARG A 23 8.777 -16.235 5.356 1.00 43.54 H new ATOM 0 HD3 ARG A 23 8.555 -17.932 4.976 1.00 43.54 H new ATOM 0 HE ARG A 23 10.820 -16.451 3.716 1.00 62.31 H new ATOM 0 HH11 ARG A 23 9.753 -18.986 5.956 1.00 54.34 H new ATOM 0 HH12 ARG A 23 11.376 -19.666 6.109 1.00 54.34 H new ATOM 0 HH21 ARG A 23 12.877 -17.316 3.960 1.00 73.24 H new ATOM 0 HH22 ARG A 23 13.128 -18.729 4.989 1.00 73.24 H new ATOM 332 N ILE A 24 7.100 -12.291 2.629 1.00 41.32 N ATOM 333 CA ILE A 24 7.094 -11.601 1.352 1.00 41.45 C ATOM 334 C ILE A 24 8.484 -11.112 0.889 1.00 32.32 C ATOM 335 O ILE A 24 9.354 -10.796 1.707 1.00 54.22 O ATOM 336 CB ILE A 24 6.015 -10.513 1.467 1.00 21.24 C ATOM 337 CG1 ILE A 24 5.836 -9.763 0.150 1.00 30.44 C ATOM 338 CG2 ILE A 24 6.219 -9.520 2.630 1.00 4.40 C ATOM 339 CD1 ILE A 24 4.400 -9.359 -0.149 1.00 25.23 C ATOM 0 H ILE A 24 6.521 -11.832 3.333 1.00 41.32 H new ATOM 0 HA ILE A 24 6.843 -12.283 0.539 1.00 41.45 H new ATOM 0 HB ILE A 24 5.100 -11.058 1.702 1.00 21.24 H new ATOM 0 HG12 ILE A 24 6.457 -8.867 0.168 1.00 30.44 H new ATOM 0 HG13 ILE A 24 6.202 -10.389 -0.664 1.00 30.44 H new ATOM 0 HG21 ILE A 24 5.410 -8.790 2.631 1.00 4.40 H new ATOM 0 HG22 ILE A 24 6.220 -10.062 3.576 1.00 4.40 H new ATOM 0 HG23 ILE A 24 7.172 -9.005 2.506 1.00 4.40 H new ATOM 0 HD11 ILE A 24 4.361 -8.831 -1.102 1.00 25.23 H new ATOM 0 HD12 ILE A 24 3.775 -10.250 -0.202 1.00 25.23 H new ATOM 0 HD13 ILE A 24 4.034 -8.705 0.643 1.00 25.23 H new ATOM 350 N ARG A 25 8.700 -11.040 -0.428 1.00 71.25 N ATOM 351 CA ARG A 25 9.846 -10.371 -1.070 1.00 50.12 C ATOM 352 C ARG A 25 9.499 -8.905 -1.361 1.00 32.30 C ATOM 353 O ARG A 25 8.320 -8.585 -1.431 1.00 32.41 O ATOM 354 CB ARG A 25 10.170 -11.106 -2.386 1.00 51.12 C ATOM 355 CG ARG A 25 11.326 -12.103 -2.221 1.00 10.50 C ATOM 356 CD ARG A 25 11.289 -13.161 -3.330 1.00 53.45 C ATOM 357 NE ARG A 25 10.352 -14.243 -2.985 1.00 71.11 N ATOM 358 CZ ARG A 25 10.647 -15.410 -2.404 1.00 33.30 C ATOM 359 NH1 ARG A 25 11.910 -15.799 -2.243 1.00 44.41 N ATOM 360 NH2 ARG A 25 9.655 -16.184 -1.987 1.00 31.10 N ATOM 0 H ARG A 25 8.062 -11.459 -1.104 1.00 71.25 H new ATOM 0 HA ARG A 25 10.711 -10.398 -0.407 1.00 50.12 H new ATOM 0 HB2 ARG A 25 9.282 -11.635 -2.733 1.00 51.12 H new ATOM 0 HB3 ARG A 25 10.428 -10.377 -3.154 1.00 51.12 H new ATOM 0 HG2 ARG A 25 12.278 -11.572 -2.249 1.00 10.50 H new ATOM 0 HG3 ARG A 25 11.259 -12.587 -1.247 1.00 10.50 H new ATOM 0 HD2 ARG A 25 10.989 -12.699 -4.270 1.00 53.45 H new ATOM 0 HD3 ARG A 25 12.287 -13.572 -3.481 1.00 53.45 H new ATOM 0 HE ARG A 25 9.371 -14.085 -3.214 1.00 71.11 H new ATOM 0 HH11 ARG A 25 12.672 -15.203 -2.565 1.00 44.41 H new ATOM 0 HH12 ARG A 25 12.115 -16.693 -1.797 1.00 44.41 H new ATOM 0 HH21 ARG A 25 8.688 -15.885 -2.112 1.00 31.10 H new ATOM 0 HH22 ARG A 25 9.859 -17.078 -1.541 1.00 31.10 H new ATOM 371 N PRO A 26 10.473 -8.009 -1.603 1.00 52.14 N ATOM 372 CA PRO A 26 10.189 -6.602 -1.887 1.00 33.13 C ATOM 373 C PRO A 26 9.315 -6.439 -3.132 1.00 41.42 C ATOM 374 O PRO A 26 8.279 -5.781 -3.095 1.00 25.31 O ATOM 375 CB PRO A 26 11.547 -5.911 -2.049 1.00 44.43 C ATOM 376 CG PRO A 26 12.525 -7.057 -2.307 1.00 54.21 C ATOM 377 CD PRO A 26 11.908 -8.232 -1.554 1.00 73.23 C ATOM 0 HA PRO A 26 9.619 -6.150 -1.075 1.00 33.13 H new ATOM 0 HB2 PRO A 26 11.537 -5.203 -2.877 1.00 44.43 H new ATOM 0 HB3 PRO A 26 11.818 -5.351 -1.154 1.00 44.43 H new ATOM 0 HG2 PRO A 26 12.622 -7.269 -3.372 1.00 54.21 H new ATOM 0 HG3 PRO A 26 13.523 -6.823 -1.937 1.00 54.21 H new ATOM 0 HD2 PRO A 26 12.175 -9.181 -2.020 1.00 73.23 H new ATOM 0 HD3 PRO A 26 12.265 -8.270 -0.525 1.00 73.23 H new ATOM 382 N ARG A 27 9.728 -7.034 -4.255 1.00 5.24 N ATOM 383 CA ARG A 27 9.064 -6.832 -5.537 1.00 25.23 C ATOM 384 C ARG A 27 7.643 -7.398 -5.569 1.00 22.13 C ATOM 385 O ARG A 27 6.827 -6.931 -6.353 1.00 61.13 O ATOM 386 CB ARG A 27 9.953 -7.355 -6.667 1.00 50.41 C ATOM 387 CG ARG A 27 9.399 -7.094 -8.080 1.00 71.11 C ATOM 388 CD ARG A 27 10.474 -6.632 -9.069 1.00 11.31 C ATOM 389 NE ARG A 27 11.606 -7.567 -9.189 1.00 54.44 N ATOM 390 CZ ARG A 27 12.820 -7.229 -9.646 1.00 5.11 C ATOM 391 NH1 ARG A 27 13.074 -5.997 -10.080 1.00 52.34 N ATOM 392 NH2 ARG A 27 13.804 -8.120 -9.629 1.00 45.52 N ATOM 0 H ARG A 27 10.528 -7.665 -4.297 1.00 5.24 H new ATOM 0 HA ARG A 27 8.928 -5.761 -5.688 1.00 25.23 H new ATOM 0 HB2 ARG A 27 10.937 -6.893 -6.584 1.00 50.41 H new ATOM 0 HB3 ARG A 27 10.093 -8.428 -6.537 1.00 50.41 H new ATOM 0 HG2 ARG A 27 8.935 -8.006 -8.456 1.00 71.11 H new ATOM 0 HG3 ARG A 27 8.616 -6.338 -8.023 1.00 71.11 H new ATOM 0 HD2 ARG A 27 10.019 -6.497 -10.050 1.00 11.31 H new ATOM 0 HD3 ARG A 27 10.850 -5.658 -8.756 1.00 11.31 H new ATOM 0 HE ARG A 27 11.456 -8.535 -8.906 1.00 54.44 H new ATOM 0 HH11 ARG A 27 12.338 -5.290 -10.069 1.00 52.34 H new ATOM 0 HH12 ARG A 27 14.004 -5.759 -10.424 1.00 52.34 H new ATOM 0 HH21 ARG A 27 13.635 -9.059 -9.269 1.00 45.52 H new ATOM 0 HH22 ARG A 27 14.729 -7.865 -9.976 1.00 45.52 H new ATOM 403 N ASP A 28 7.290 -8.307 -4.662 1.00 3.44 N ATOM 404 CA ASP A 28 5.942 -8.876 -4.571 1.00 72.44 C ATOM 405 C ASP A 28 4.907 -7.778 -4.328 1.00 4.41 C ATOM 406 O ASP A 28 3.754 -7.921 -4.739 1.00 50.51 O ATOM 407 CB ASP A 28 5.832 -9.847 -3.384 1.00 51.55 C ATOM 408 CG ASP A 28 6.527 -11.216 -3.514 1.00 53.12 C ATOM 409 OD1 ASP A 28 7.193 -11.517 -4.534 1.00 25.44 O ATOM 410 OD2 ASP A 28 6.487 -11.984 -2.521 1.00 21.02 O ATOM 0 H ASP A 28 7.935 -8.674 -3.963 1.00 3.44 H new ATOM 0 HA ASP A 28 5.757 -9.391 -5.514 1.00 72.44 H new ATOM 0 HB2 ASP A 28 6.236 -9.348 -2.503 1.00 51.55 H new ATOM 0 HB3 ASP A 28 4.774 -10.025 -3.192 1.00 51.55 H new ATOM 414 N LEU A 29 5.286 -6.721 -3.597 1.00 44.40 N ATOM 415 CA LEU A 29 4.359 -5.659 -3.252 1.00 11.11 C ATOM 416 C LEU A 29 4.041 -4.835 -4.480 1.00 74.43 C ATOM 417 O LEU A 29 2.867 -4.637 -4.776 1.00 2.33 O ATOM 418 CB LEU A 29 4.889 -4.727 -2.156 1.00 23.43 C ATOM 419 CG LEU A 29 4.949 -5.285 -0.728 1.00 25.02 C ATOM 420 CD1 LEU A 29 3.673 -6.032 -0.346 1.00 51.21 C ATOM 421 CD2 LEU A 29 6.163 -6.181 -0.500 1.00 23.14 C ATOM 0 H LEU A 29 6.231 -6.588 -3.238 1.00 44.40 H new ATOM 0 HA LEU A 29 3.464 -6.146 -2.865 1.00 11.11 H new ATOM 0 HB2 LEU A 29 5.894 -4.412 -2.438 1.00 23.43 H new ATOM 0 HB3 LEU A 29 4.266 -3.833 -2.143 1.00 23.43 H new ATOM 0 HG LEU A 29 5.046 -4.414 -0.079 1.00 25.02 H new ATOM 0 HD11 LEU A 29 3.763 -6.408 0.673 1.00 51.21 H new ATOM 0 HD12 LEU A 29 2.822 -5.354 -0.409 1.00 51.21 H new ATOM 0 HD13 LEU A 29 3.522 -6.868 -1.029 1.00 51.21 H new ATOM 0 HD21 LEU A 29 6.156 -6.549 0.526 1.00 23.14 H new ATOM 0 HD22 LEU A 29 6.126 -7.025 -1.188 1.00 23.14 H new ATOM 0 HD23 LEU A 29 7.075 -5.610 -0.675 1.00 23.14 H new ATOM 432 N GLU A 30 5.076 -4.354 -5.169 1.00 52.12 N ATOM 433 CA GLU A 30 4.894 -3.510 -6.333 1.00 33.35 C ATOM 434 C GLU A 30 4.294 -4.302 -7.492 1.00 70.42 C ATOM 435 O GLU A 30 3.621 -3.712 -8.323 1.00 5.54 O ATOM 436 CB GLU A 30 6.204 -2.814 -6.714 1.00 65.04 C ATOM 437 CG GLU A 30 7.357 -3.776 -7.003 1.00 24.41 C ATOM 438 CD GLU A 30 8.472 -3.125 -7.815 1.00 4.55 C ATOM 439 OE1 GLU A 30 8.251 -2.822 -9.012 1.00 32.43 O ATOM 440 OE2 GLU A 30 9.586 -2.958 -7.281 1.00 4.35 O ATOM 0 H GLU A 30 6.051 -4.540 -4.933 1.00 52.12 H new ATOM 0 HA GLU A 30 4.180 -2.725 -6.084 1.00 33.35 H new ATOM 0 HB2 GLU A 30 6.032 -2.194 -7.594 1.00 65.04 H new ATOM 0 HB3 GLU A 30 6.497 -2.145 -5.905 1.00 65.04 H new ATOM 0 HG2 GLU A 30 7.765 -4.143 -6.061 1.00 24.41 H new ATOM 0 HG3 GLU A 30 6.976 -4.642 -7.544 1.00 24.41 H new ATOM 445 N GLU A 31 4.462 -5.624 -7.520 1.00 71.01 N ATOM 446 CA GLU A 31 3.913 -6.476 -8.562 1.00 64.14 C ATOM 447 C GLU A 31 2.406 -6.611 -8.487 1.00 52.32 C ATOM 448 O GLU A 31 1.755 -6.825 -9.510 1.00 30.43 O ATOM 449 CB GLU A 31 4.558 -7.858 -8.482 1.00 71.21 C ATOM 450 CG GLU A 31 5.844 -7.850 -9.302 1.00 30.24 C ATOM 451 CD GLU A 31 5.504 -7.805 -10.789 1.00 13.21 C ATOM 452 OE1 GLU A 31 5.161 -8.882 -11.328 1.00 41.42 O ATOM 453 OE2 GLU A 31 5.498 -6.702 -11.386 1.00 44.22 O ATOM 0 H GLU A 31 4.989 -6.134 -6.811 1.00 71.01 H new ATOM 0 HA GLU A 31 4.140 -6.001 -9.516 1.00 64.14 H new ATOM 0 HB2 GLU A 31 4.774 -8.114 -7.445 1.00 71.21 H new ATOM 0 HB3 GLU A 31 3.873 -8.616 -8.862 1.00 71.21 H new ATOM 0 HG2 GLU A 31 6.454 -6.988 -9.032 1.00 30.24 H new ATOM 0 HG3 GLU A 31 6.434 -8.739 -9.080 1.00 30.24 H new ATOM 458 N PHE A 32 1.839 -6.456 -7.296 1.00 41.32 N ATOM 459 CA PHE A 32 0.400 -6.286 -7.184 1.00 2.25 C ATOM 460 C PHE A 32 -0.056 -5.024 -7.920 1.00 52.33 C ATOM 461 O PHE A 32 -1.143 -5.009 -8.491 1.00 44.54 O ATOM 462 CB PHE A 32 -0.020 -6.218 -5.718 1.00 11.22 C ATOM 463 CG PHE A 32 -1.524 -6.146 -5.521 1.00 62.04 C ATOM 464 CD1 PHE A 32 -2.386 -6.944 -6.301 1.00 5.35 C ATOM 465 CD2 PHE A 32 -2.072 -5.257 -4.579 1.00 70.32 C ATOM 466 CE1 PHE A 32 -3.770 -6.899 -6.106 1.00 2.23 C ATOM 467 CE2 PHE A 32 -3.464 -5.197 -4.401 1.00 61.43 C ATOM 468 CZ PHE A 32 -4.313 -6.036 -5.144 1.00 52.24 C ATOM 0 H PHE A 32 2.345 -6.445 -6.410 1.00 41.32 H new ATOM 0 HA PHE A 32 -0.079 -7.149 -7.646 1.00 2.25 H new ATOM 0 HB2 PHE A 32 0.365 -7.095 -5.197 1.00 11.22 H new ATOM 0 HB3 PHE A 32 0.441 -5.345 -5.256 1.00 11.22 H new ATOM 0 HD1 PHE A 32 -1.973 -7.596 -7.056 1.00 5.35 H new ATOM 0 HD2 PHE A 32 -1.424 -4.622 -3.994 1.00 70.32 H new ATOM 0 HE1 PHE A 32 -4.420 -7.528 -6.696 1.00 2.23 H new ATOM 0 HE2 PHE A 32 -3.885 -4.502 -3.689 1.00 61.43 H new ATOM 0 HZ PHE A 32 -5.379 -6.016 -4.974 1.00 52.24 H new ATOM 477 N PHE A 33 0.744 -3.958 -7.897 1.00 42.34 N ATOM 478 CA PHE A 33 0.370 -2.662 -8.450 1.00 54.30 C ATOM 479 C PHE A 33 0.776 -2.483 -9.918 1.00 22.32 C ATOM 480 O PHE A 33 0.112 -1.724 -10.626 1.00 62.02 O ATOM 481 CB PHE A 33 0.994 -1.549 -7.603 1.00 65.00 C ATOM 482 CG PHE A 33 0.585 -1.546 -6.134 1.00 73.41 C ATOM 483 CD1 PHE A 33 -0.775 -1.549 -5.767 1.00 73.04 C ATOM 484 CD2 PHE A 33 1.559 -1.564 -5.116 1.00 41.50 C ATOM 485 CE1 PHE A 33 -1.154 -1.646 -4.417 1.00 30.05 C ATOM 486 CE2 PHE A 33 1.186 -1.667 -3.767 1.00 31.14 C ATOM 487 CZ PHE A 33 -0.171 -1.721 -3.417 1.00 44.10 C ATOM 0 H PHE A 33 1.679 -3.973 -7.489 1.00 42.34 H new ATOM 0 HA PHE A 33 -0.718 -2.609 -8.421 1.00 54.30 H new ATOM 0 HB2 PHE A 33 2.079 -1.634 -7.662 1.00 65.00 H new ATOM 0 HB3 PHE A 33 0.726 -0.587 -8.041 1.00 65.00 H new ATOM 0 HD1 PHE A 33 -1.535 -1.476 -6.531 1.00 73.04 H new ATOM 0 HD2 PHE A 33 2.605 -1.498 -5.377 1.00 41.50 H new ATOM 0 HE1 PHE A 33 -2.200 -1.663 -4.149 1.00 30.05 H new ATOM 0 HE2 PHE A 33 1.944 -1.705 -2.998 1.00 31.14 H new ATOM 0 HZ PHE A 33 -0.459 -1.820 -2.381 1.00 44.10 H new ATOM 496 N SER A 34 1.811 -3.187 -10.386 1.00 73.00 N ATOM 497 CA SER A 34 2.482 -2.994 -11.670 1.00 44.43 C ATOM 498 C SER A 34 1.575 -3.194 -12.881 1.00 43.53 C ATOM 499 O SER A 34 1.877 -2.703 -13.973 1.00 70.24 O ATOM 500 CB SER A 34 3.704 -3.922 -11.759 1.00 25.32 C ATOM 501 OG SER A 34 3.314 -5.282 -11.718 1.00 54.44 O ATOM 0 H SER A 34 2.224 -3.948 -9.847 1.00 73.00 H new ATOM 0 HA SER A 34 2.793 -1.950 -11.703 1.00 44.43 H new ATOM 0 HB2 SER A 34 4.249 -3.724 -12.682 1.00 25.32 H new ATOM 0 HB3 SER A 34 4.386 -3.711 -10.935 1.00 25.32 H new ATOM 0 HG SER A 34 4.087 -5.850 -11.916 1.00 54.44 H new ATOM 506 N THR A 35 0.471 -3.907 -12.677 1.00 50.42 N ATOM 507 CA THR A 35 -0.565 -4.137 -13.665 1.00 51.43 C ATOM 508 C THR A 35 -1.114 -2.783 -14.137 1.00 50.50 C ATOM 509 O THR A 35 -1.278 -2.578 -15.339 1.00 22.13 O ATOM 510 CB THR A 35 -1.608 -5.126 -13.095 1.00 31.31 C ATOM 511 OG1 THR A 35 -2.804 -5.155 -13.839 1.00 71.22 O ATOM 512 CG2 THR A 35 -1.980 -4.912 -11.626 1.00 53.32 C ATOM 0 H THR A 35 0.271 -4.355 -11.783 1.00 50.42 H new ATOM 0 HA THR A 35 -0.181 -4.622 -14.563 1.00 51.43 H new ATOM 0 HB THR A 35 -1.084 -6.078 -13.174 1.00 31.31 H new ATOM 0 HG1 THR A 35 -3.425 -5.797 -13.435 1.00 71.22 H new ATOM 0 HG21 THR A 35 -2.717 -5.657 -11.325 1.00 53.32 H new ATOM 0 HG22 THR A 35 -1.089 -5.013 -11.007 1.00 53.32 H new ATOM 0 HG23 THR A 35 -2.399 -3.914 -11.499 1.00 53.32 H new ATOM 520 N VAL A 36 -1.299 -1.825 -13.221 1.00 22.24 N ATOM 521 CA VAL A 36 -1.916 -0.528 -13.501 1.00 52.30 C ATOM 522 C VAL A 36 -1.309 0.549 -12.590 1.00 63.10 C ATOM 523 O VAL A 36 -2.014 1.229 -11.841 1.00 54.11 O ATOM 524 CB VAL A 36 -3.461 -0.618 -13.388 1.00 51.13 C ATOM 525 CG1 VAL A 36 -4.105 -1.331 -14.586 1.00 10.15 C ATOM 526 CG2 VAL A 36 -3.938 -1.304 -12.096 1.00 45.13 C ATOM 0 H VAL A 36 -1.018 -1.934 -12.247 1.00 22.24 H new ATOM 0 HA VAL A 36 -1.702 -0.237 -14.529 1.00 52.30 H new ATOM 0 HB VAL A 36 -3.786 0.422 -13.372 1.00 51.13 H new ATOM 0 HG11 VAL A 36 -5.186 -1.364 -14.452 1.00 10.15 H new ATOM 0 HG12 VAL A 36 -3.870 -0.789 -15.502 1.00 10.15 H new ATOM 0 HG13 VAL A 36 -3.717 -2.347 -14.656 1.00 10.15 H new ATOM 0 HG21 VAL A 36 -5.027 -1.334 -12.081 1.00 45.13 H new ATOM 0 HG22 VAL A 36 -3.547 -2.321 -12.058 1.00 45.13 H new ATOM 0 HG23 VAL A 36 -3.578 -0.744 -11.233 1.00 45.13 H new ATOM 536 N GLY A 37 0.015 0.690 -12.590 1.00 64.44 N ATOM 537 CA GLY A 37 0.660 1.754 -11.837 1.00 71.03 C ATOM 538 C GLY A 37 2.174 1.607 -11.824 1.00 32.13 C ATOM 539 O GLY A 37 2.709 0.519 -12.058 1.00 41.13 O ATOM 0 H GLY A 37 0.656 0.083 -13.101 1.00 64.44 H new ATOM 0 HA2 GLY A 37 0.393 2.718 -12.271 1.00 71.03 H new ATOM 0 HA3 GLY A 37 0.287 1.751 -10.813 1.00 71.03 H new ATOM 543 N LYS A 38 2.877 2.686 -11.468 1.00 21.03 N ATOM 544 CA LYS A 38 4.319 2.689 -11.267 1.00 24.23 C ATOM 545 C LYS A 38 4.620 3.016 -9.813 1.00 44.52 C ATOM 546 O LYS A 38 4.211 4.053 -9.286 1.00 62.14 O ATOM 547 CB LYS A 38 5.003 3.665 -12.227 1.00 72.21 C ATOM 548 CG LYS A 38 6.525 3.554 -12.084 1.00 22.42 C ATOM 549 CD LYS A 38 7.269 4.567 -12.950 1.00 11.13 C ATOM 550 CE LYS A 38 7.061 4.325 -14.446 1.00 1.51 C ATOM 551 NZ LYS A 38 8.296 4.571 -15.214 1.00 62.42 N ATOM 0 H LYS A 38 2.446 3.597 -11.310 1.00 21.03 H new ATOM 0 HA LYS A 38 4.721 1.700 -11.489 1.00 24.23 H new ATOM 0 HB2 LYS A 38 4.708 3.446 -13.253 1.00 72.21 H new ATOM 0 HB3 LYS A 38 4.682 4.685 -12.013 1.00 72.21 H new ATOM 0 HG2 LYS A 38 6.800 3.702 -11.040 1.00 22.42 H new ATOM 0 HG3 LYS A 38 6.840 2.547 -12.357 1.00 22.42 H new ATOM 0 HD2 LYS A 38 6.932 5.572 -12.698 1.00 11.13 H new ATOM 0 HD3 LYS A 38 8.334 4.521 -12.723 1.00 11.13 H new ATOM 0 HE2 LYS A 38 6.731 3.299 -14.606 1.00 1.51 H new ATOM 0 HE3 LYS A 38 6.268 4.976 -14.813 1.00 1.51 H new ATOM 0 HZ1 LYS A 38 8.117 4.397 -16.224 1.00 62.42 H new ATOM 0 HZ2 LYS A 38 8.597 5.557 -15.081 1.00 62.42 H new ATOM 0 HZ3 LYS A 38 9.046 3.932 -14.880 1.00 62.42 H new ATOM 561 N VAL A 39 5.369 2.127 -9.183 1.00 10.11 N ATOM 562 CA VAL A 39 5.840 2.294 -7.822 1.00 45.22 C ATOM 563 C VAL A 39 7.208 2.975 -7.889 1.00 13.15 C ATOM 564 O VAL A 39 7.960 2.773 -8.848 1.00 10.51 O ATOM 565 CB VAL A 39 5.854 0.915 -7.140 1.00 52.21 C ATOM 566 CG1 VAL A 39 6.425 1.009 -5.724 1.00 5.34 C ATOM 567 CG2 VAL A 39 4.422 0.358 -7.064 1.00 2.15 C ATOM 0 H VAL A 39 5.672 1.253 -9.613 1.00 10.11 H new ATOM 0 HA VAL A 39 5.192 2.929 -7.218 1.00 45.22 H new ATOM 0 HB VAL A 39 6.485 0.252 -7.732 1.00 52.21 H new ATOM 0 HG11 VAL A 39 6.423 0.020 -5.265 1.00 5.34 H new ATOM 0 HG12 VAL A 39 7.446 1.387 -5.768 1.00 5.34 H new ATOM 0 HG13 VAL A 39 5.813 1.686 -5.129 1.00 5.34 H new ATOM 0 HG21 VAL A 39 4.437 -0.619 -6.580 1.00 2.15 H new ATOM 0 HG22 VAL A 39 3.797 1.039 -6.487 1.00 2.15 H new ATOM 0 HG23 VAL A 39 4.017 0.258 -8.071 1.00 2.15 H new ATOM 577 N ARG A 40 7.527 3.788 -6.877 1.00 50.51 N ATOM 578 CA ARG A 40 8.788 4.508 -6.718 1.00 52.21 C ATOM 579 C ARG A 40 9.668 3.773 -5.709 1.00 43.13 C ATOM 580 O ARG A 40 10.834 3.522 -6.031 1.00 5.21 O ATOM 581 CB ARG A 40 8.500 5.970 -6.324 1.00 33.25 C ATOM 582 CG ARG A 40 9.716 6.911 -6.380 1.00 32.03 C ATOM 583 CD ARG A 40 10.376 7.085 -7.759 1.00 73.31 C ATOM 584 NE ARG A 40 11.622 6.314 -7.879 1.00 50.20 N ATOM 585 CZ ARG A 40 12.282 6.036 -9.010 1.00 21.32 C ATOM 586 NH1 ARG A 40 11.957 6.623 -10.159 1.00 30.02 N ATOM 587 NH2 ARG A 40 13.276 5.158 -8.974 1.00 62.43 N ATOM 0 H ARG A 40 6.879 3.969 -6.110 1.00 50.51 H new ATOM 0 HA ARG A 40 9.340 4.538 -7.658 1.00 52.21 H new ATOM 0 HB2 ARG A 40 7.726 6.362 -6.983 1.00 33.25 H new ATOM 0 HB3 ARG A 40 8.095 5.985 -5.312 1.00 33.25 H new ATOM 0 HG2 ARG A 40 9.406 7.893 -6.022 1.00 32.03 H new ATOM 0 HG3 ARG A 40 10.469 6.540 -5.684 1.00 32.03 H new ATOM 0 HD2 ARG A 40 9.679 6.770 -8.536 1.00 73.31 H new ATOM 0 HD3 ARG A 40 10.586 8.141 -7.929 1.00 73.31 H new ATOM 0 HE ARG A 40 12.024 5.955 -7.013 1.00 50.20 H new ATOM 0 HH11 ARG A 40 11.193 7.298 -10.189 1.00 30.02 H new ATOM 0 HH12 ARG A 40 12.472 6.398 -11.010 1.00 30.02 H new ATOM 0 HH21 ARG A 40 13.526 4.707 -8.094 1.00 62.43 H new ATOM 0 HH22 ARG A 40 13.790 4.934 -9.826 1.00 62.43 H new ATOM 598 N ASP A 41 9.129 3.365 -4.553 1.00 23.31 N ATOM 599 CA ASP A 41 9.808 2.442 -3.633 1.00 25.14 C ATOM 600 C ASP A 41 8.800 1.736 -2.715 1.00 21.03 C ATOM 601 O ASP A 41 7.598 1.930 -2.875 1.00 74.31 O ATOM 602 CB ASP A 41 10.906 3.156 -2.839 1.00 44.31 C ATOM 603 CG ASP A 41 12.063 2.197 -2.576 1.00 61.11 C ATOM 604 OD1 ASP A 41 11.937 1.288 -1.732 1.00 63.11 O ATOM 605 OD2 ASP A 41 13.124 2.313 -3.228 1.00 13.55 O ATOM 0 H ASP A 41 8.210 3.665 -4.229 1.00 23.31 H new ATOM 0 HA ASP A 41 10.296 1.671 -4.229 1.00 25.14 H new ATOM 0 HB2 ASP A 41 11.261 4.025 -3.393 1.00 44.31 H new ATOM 0 HB3 ASP A 41 10.504 3.523 -1.894 1.00 44.31 H new ATOM 609 N VAL A 42 9.240 0.906 -1.773 1.00 63.42 N ATOM 610 CA VAL A 42 8.458 -0.136 -1.131 1.00 64.22 C ATOM 611 C VAL A 42 9.036 -0.383 0.268 1.00 72.04 C ATOM 612 O VAL A 42 10.034 -1.094 0.378 1.00 42.21 O ATOM 613 CB VAL A 42 8.434 -1.348 -2.105 1.00 5.31 C ATOM 614 CG1 VAL A 42 9.774 -1.736 -2.767 1.00 73.44 C ATOM 615 CG2 VAL A 42 7.855 -2.616 -1.476 1.00 63.01 C ATOM 0 H VAL A 42 10.197 0.947 -1.423 1.00 63.42 H new ATOM 0 HA VAL A 42 7.415 0.123 -0.950 1.00 64.22 H new ATOM 0 HB VAL A 42 7.784 -0.960 -2.889 1.00 5.31 H new ATOM 0 HG11 VAL A 42 9.621 -2.594 -3.421 1.00 73.44 H new ATOM 0 HG12 VAL A 42 10.148 -0.896 -3.352 1.00 73.44 H new ATOM 0 HG13 VAL A 42 10.500 -1.993 -1.996 1.00 73.44 H new ATOM 0 HG21 VAL A 42 7.867 -3.423 -2.208 1.00 63.01 H new ATOM 0 HG22 VAL A 42 8.456 -2.901 -0.612 1.00 63.01 H new ATOM 0 HG23 VAL A 42 6.829 -2.429 -1.159 1.00 63.01 H new ATOM 625 N ARG A 43 8.466 0.197 1.335 1.00 70.34 N ATOM 626 CA ARG A 43 9.106 0.238 2.660 1.00 12.51 C ATOM 627 C ARG A 43 8.239 -0.485 3.685 1.00 64.21 C ATOM 628 O ARG A 43 7.052 -0.177 3.767 1.00 13.13 O ATOM 629 CB ARG A 43 9.349 1.702 3.080 1.00 34.22 C ATOM 630 CG ARG A 43 10.030 2.579 2.018 1.00 62.22 C ATOM 631 CD ARG A 43 10.785 3.781 2.630 1.00 62.25 C ATOM 632 NE ARG A 43 10.015 5.039 2.693 1.00 30.35 N ATOM 633 CZ ARG A 43 9.823 5.905 1.684 1.00 42.53 C ATOM 634 NH1 ARG A 43 10.167 5.598 0.435 1.00 73.42 N ATOM 635 NH2 ARG A 43 9.279 7.089 1.942 1.00 44.14 N ATOM 0 H ARG A 43 7.552 0.649 1.305 1.00 70.34 H new ATOM 0 HA ARG A 43 10.069 -0.271 2.609 1.00 12.51 H new ATOM 0 HB2 ARG A 43 8.392 2.153 3.342 1.00 34.22 H new ATOM 0 HB3 ARG A 43 9.961 1.708 3.982 1.00 34.22 H new ATOM 0 HG2 ARG A 43 10.729 1.970 1.444 1.00 62.22 H new ATOM 0 HG3 ARG A 43 9.278 2.945 1.319 1.00 62.22 H new ATOM 0 HD2 ARG A 43 11.101 3.516 3.639 1.00 62.25 H new ATOM 0 HD3 ARG A 43 11.690 3.956 2.048 1.00 62.25 H new ATOM 0 HE ARG A 43 9.588 5.273 3.589 1.00 30.35 H new ATOM 0 HH11 ARG A 43 10.585 4.691 0.230 1.00 73.42 H new ATOM 0 HH12 ARG A 43 10.012 6.270 -0.316 1.00 73.42 H new ATOM 0 HH21 ARG A 43 9.013 7.331 2.897 1.00 44.14 H new ATOM 0 HH22 ARG A 43 9.127 7.756 1.186 1.00 44.14 H new ATOM 646 N MET A 44 8.776 -1.398 4.505 1.00 53.21 N ATOM 647 CA MET A 44 7.955 -2.172 5.447 1.00 2.44 C ATOM 648 C MET A 44 8.537 -2.320 6.847 1.00 53.52 C ATOM 649 O MET A 44 9.728 -2.074 7.054 1.00 2.22 O ATOM 650 CB MET A 44 7.587 -3.521 4.818 1.00 63.41 C ATOM 651 CG MET A 44 8.738 -4.481 4.532 1.00 70.02 C ATOM 652 SD MET A 44 8.213 -6.071 3.818 1.00 10.34 S ATOM 653 CE MET A 44 7.183 -6.742 5.155 1.00 41.53 C ATOM 0 H MET A 44 9.771 -1.619 4.536 1.00 53.21 H new ATOM 0 HA MET A 44 7.049 -1.590 5.618 1.00 2.44 H new ATOM 0 HB2 MET A 44 6.881 -4.024 5.479 1.00 63.41 H new ATOM 0 HB3 MET A 44 7.064 -3.328 3.881 1.00 63.41 H new ATOM 0 HG2 MET A 44 9.438 -4.000 3.848 1.00 70.02 H new ATOM 0 HG3 MET A 44 9.278 -4.671 5.459 1.00 70.02 H new ATOM 0 HE1 MET A 44 7.041 -7.812 5.003 1.00 41.53 H new ATOM 0 HE2 MET A 44 7.675 -6.573 6.113 1.00 41.53 H new ATOM 0 HE3 MET A 44 6.214 -6.244 5.152 1.00 41.53 H new ATOM 661 N ILE A 45 7.716 -2.731 7.830 1.00 42.51 N ATOM 662 CA ILE A 45 8.159 -2.890 9.215 1.00 33.21 C ATOM 663 C ILE A 45 8.523 -4.357 9.419 1.00 74.05 C ATOM 664 O ILE A 45 7.794 -5.127 10.057 1.00 71.25 O ATOM 665 CB ILE A 45 7.147 -2.328 10.249 1.00 14.31 C ATOM 666 CG1 ILE A 45 6.678 -0.904 9.837 1.00 44.42 C ATOM 667 CG2 ILE A 45 7.829 -2.345 11.645 1.00 13.21 C ATOM 668 CD1 ILE A 45 5.388 -0.865 9.027 1.00 3.12 C ATOM 0 H ILE A 45 6.733 -2.960 7.682 1.00 42.51 H new ATOM 0 HA ILE A 45 9.045 -2.282 9.397 1.00 33.21 H new ATOM 0 HB ILE A 45 6.249 -2.945 10.286 1.00 14.31 H new ATOM 0 HG12 ILE A 45 6.542 -0.306 10.739 1.00 44.42 H new ATOM 0 HG13 ILE A 45 7.469 -0.430 9.256 1.00 44.42 H new ATOM 0 HG21 ILE A 45 7.138 -1.954 12.392 1.00 13.21 H new ATOM 0 HG22 ILE A 45 8.103 -3.368 11.904 1.00 13.21 H new ATOM 0 HG23 ILE A 45 8.725 -1.725 11.620 1.00 13.21 H new ATOM 0 HD11 ILE A 45 5.141 0.169 8.786 1.00 3.12 H new ATOM 0 HD12 ILE A 45 5.520 -1.431 8.105 1.00 3.12 H new ATOM 0 HD13 ILE A 45 4.579 -1.305 9.610 1.00 3.12 H new ATOM 814 N GLY A 55 2.457 -7.930 9.607 1.00 71.24 N ATOM 815 CA GLY A 55 2.503 -7.723 8.166 1.00 14.51 C ATOM 816 C GLY A 55 2.022 -6.346 7.736 1.00 70.01 C ATOM 817 O GLY A 55 0.827 -6.173 7.496 1.00 65.11 O ATOM 0 HA2 GLY A 55 3.526 -7.867 7.819 1.00 14.51 H new ATOM 0 HA3 GLY A 55 1.891 -8.482 7.678 1.00 14.51 H new ATOM 821 N ILE A 56 2.931 -5.376 7.630 1.00 25.11 N ATOM 822 CA ILE A 56 2.615 -3.964 7.397 1.00 32.00 C ATOM 823 C ILE A 56 3.702 -3.317 6.532 1.00 25.23 C ATOM 824 O ILE A 56 4.890 -3.494 6.815 1.00 23.14 O ATOM 825 CB ILE A 56 2.440 -3.201 8.740 1.00 24.12 C ATOM 826 CG1 ILE A 56 3.317 -3.732 9.893 1.00 45.23 C ATOM 827 CG2 ILE A 56 0.953 -3.178 9.111 1.00 23.42 C ATOM 828 CD1 ILE A 56 2.988 -3.151 11.272 1.00 62.41 C ATOM 0 H ILE A 56 3.933 -5.554 7.705 1.00 25.11 H new ATOM 0 HA ILE A 56 1.667 -3.905 6.862 1.00 32.00 H new ATOM 0 HB ILE A 56 2.799 -2.184 8.584 1.00 24.12 H new ATOM 0 HG12 ILE A 56 3.216 -4.816 9.938 1.00 45.23 H new ATOM 0 HG13 ILE A 56 4.361 -3.519 9.664 1.00 45.23 H new ATOM 0 HG21 ILE A 56 0.821 -2.644 10.052 1.00 23.42 H new ATOM 0 HG22 ILE A 56 0.390 -2.673 8.326 1.00 23.42 H new ATOM 0 HG23 ILE A 56 0.589 -4.200 9.219 1.00 23.42 H new ATOM 0 HD11 ILE A 56 3.656 -3.583 12.018 1.00 62.41 H new ATOM 0 HD12 ILE A 56 3.119 -2.069 11.252 1.00 62.41 H new ATOM 0 HD13 ILE A 56 1.955 -3.387 11.529 1.00 62.41 H new ATOM 839 N ALA A 57 3.305 -2.548 5.506 1.00 74.01 N ATOM 840 CA ALA A 57 4.206 -1.772 4.647 1.00 31.33 C ATOM 841 C ALA A 57 3.543 -0.493 4.137 1.00 23.32 C ATOM 842 O ALA A 57 2.316 -0.451 4.041 1.00 71.25 O ATOM 843 CB ALA A 57 4.578 -2.607 3.418 1.00 1.30 C ATOM 0 H ALA A 57 2.324 -2.448 5.246 1.00 74.01 H new ATOM 0 HA ALA A 57 5.080 -1.514 5.245 1.00 31.33 H new ATOM 0 HB1 ALA A 57 5.248 -2.033 2.777 1.00 1.30 H new ATOM 0 HB2 ALA A 57 5.077 -3.522 3.737 1.00 1.30 H new ATOM 0 HB3 ALA A 57 3.675 -2.861 2.864 1.00 1.30 H new ATOM 849 N TYR A 58 4.341 0.507 3.752 1.00 62.22 N ATOM 850 CA TYR A 58 3.926 1.727 3.078 1.00 11.43 C ATOM 851 C TYR A 58 4.686 1.763 1.750 1.00 1.15 C ATOM 852 O TYR A 58 5.906 1.928 1.734 1.00 74.23 O ATOM 853 CB TYR A 58 4.213 2.984 3.933 1.00 44.51 C ATOM 854 CG TYR A 58 3.591 3.036 5.323 1.00 42.41 C ATOM 855 CD1 TYR A 58 3.964 2.106 6.314 1.00 61.43 C ATOM 856 CD2 TYR A 58 2.668 4.052 5.647 1.00 10.15 C ATOM 857 CE1 TYR A 58 3.347 2.118 7.575 1.00 23.21 C ATOM 858 CE2 TYR A 58 2.029 4.061 6.895 1.00 5.41 C ATOM 859 CZ TYR A 58 2.342 3.077 7.856 1.00 61.24 C ATOM 860 OH TYR A 58 1.687 3.069 9.049 1.00 52.11 O ATOM 0 H TYR A 58 5.348 0.479 3.914 1.00 62.22 H new ATOM 0 HA TYR A 58 2.849 1.730 2.913 1.00 11.43 H new ATOM 0 HB2 TYR A 58 5.293 3.079 4.042 1.00 44.51 H new ATOM 0 HB3 TYR A 58 3.871 3.857 3.377 1.00 44.51 H new ATOM 0 HD1 TYR A 58 4.732 1.377 6.101 1.00 61.43 H new ATOM 0 HD2 TYR A 58 2.452 4.829 4.929 1.00 10.15 H new ATOM 0 HE1 TYR A 58 3.637 1.400 8.328 1.00 23.21 H new ATOM 0 HE2 TYR A 58 1.297 4.822 7.121 1.00 5.41 H new ATOM 0 HH TYR A 58 1.146 2.255 9.120 1.00 52.11 H new ATOM 869 N VAL A 59 3.981 1.546 0.643 1.00 23.33 N ATOM 870 CA VAL A 59 4.574 1.462 -0.686 1.00 24.45 C ATOM 871 C VAL A 59 4.425 2.837 -1.339 1.00 1.44 C ATOM 872 O VAL A 59 3.310 3.354 -1.410 1.00 42.53 O ATOM 873 CB VAL A 59 3.922 0.299 -1.461 1.00 30.02 C ATOM 874 CG1 VAL A 59 4.600 0.075 -2.816 1.00 70.22 C ATOM 875 CG2 VAL A 59 3.973 -1.013 -0.652 1.00 51.12 C ATOM 0 H VAL A 59 2.969 1.422 0.645 1.00 23.33 H new ATOM 0 HA VAL A 59 5.639 1.229 -0.666 1.00 24.45 H new ATOM 0 HB VAL A 59 2.882 0.580 -1.626 1.00 30.02 H new ATOM 0 HG11 VAL A 59 4.114 -0.752 -3.334 1.00 70.22 H new ATOM 0 HG12 VAL A 59 4.517 0.979 -3.419 1.00 70.22 H new ATOM 0 HG13 VAL A 59 5.653 -0.162 -2.661 1.00 70.22 H new ATOM 0 HG21 VAL A 59 3.505 -1.813 -1.226 1.00 51.12 H new ATOM 0 HG22 VAL A 59 5.011 -1.273 -0.446 1.00 51.12 H new ATOM 0 HG23 VAL A 59 3.438 -0.881 0.289 1.00 51.12 H new ATOM 885 N GLU A 60 5.539 3.454 -1.733 1.00 24.12 N ATOM 886 CA GLU A 60 5.614 4.811 -2.258 1.00 14.14 C ATOM 887 C GLU A 60 5.362 4.778 -3.766 1.00 73.20 C ATOM 888 O GLU A 60 6.117 4.169 -4.524 1.00 54.44 O ATOM 889 CB GLU A 60 7.005 5.398 -1.965 1.00 62.22 C ATOM 890 CG GLU A 60 7.077 6.898 -2.297 1.00 74.02 C ATOM 891 CD GLU A 60 8.492 7.357 -2.650 1.00 71.30 C ATOM 892 OE1 GLU A 60 9.467 6.998 -1.933 1.00 72.01 O ATOM 893 OE2 GLU A 60 8.644 8.080 -3.652 1.00 70.13 O ATOM 0 H GLU A 60 6.451 2.999 -1.692 1.00 24.12 H new ATOM 0 HA GLU A 60 4.860 5.437 -1.781 1.00 14.14 H new ATOM 0 HB2 GLU A 60 7.248 5.247 -0.913 1.00 62.22 H new ATOM 0 HB3 GLU A 60 7.755 4.861 -2.546 1.00 62.22 H new ATOM 0 HG2 GLU A 60 6.411 7.113 -3.132 1.00 74.02 H new ATOM 0 HG3 GLU A 60 6.715 7.472 -1.444 1.00 74.02 H new ATOM 898 N PHE A 61 4.293 5.418 -4.215 1.00 53.52 N ATOM 899 CA PHE A 61 3.897 5.525 -5.611 1.00 61.14 C ATOM 900 C PHE A 61 4.578 6.693 -6.339 1.00 52.54 C ATOM 901 O PHE A 61 5.048 7.651 -5.723 1.00 4.15 O ATOM 902 CB PHE A 61 2.370 5.666 -5.665 1.00 43.14 C ATOM 903 CG PHE A 61 1.718 4.506 -6.369 1.00 3.31 C ATOM 904 CD1 PHE A 61 1.666 4.490 -7.774 1.00 1.35 C ATOM 905 CD2 PHE A 61 1.224 3.415 -5.629 1.00 14.23 C ATOM 906 CE1 PHE A 61 1.123 3.380 -8.436 1.00 31.22 C ATOM 907 CE2 PHE A 61 0.666 2.312 -6.299 1.00 4.12 C ATOM 908 CZ PHE A 61 0.612 2.296 -7.704 1.00 23.25 C ATOM 0 H PHE A 61 3.649 5.899 -3.587 1.00 53.52 H new ATOM 0 HA PHE A 61 4.220 4.624 -6.132 1.00 61.14 H new ATOM 0 HB2 PHE A 61 1.977 5.741 -4.651 1.00 43.14 H new ATOM 0 HB3 PHE A 61 2.110 6.593 -6.177 1.00 43.14 H new ATOM 0 HD1 PHE A 61 2.043 5.329 -8.340 1.00 1.35 H new ATOM 0 HD2 PHE A 61 1.273 3.425 -4.550 1.00 14.23 H new ATOM 0 HE1 PHE A 61 1.098 3.358 -9.515 1.00 31.22 H new ATOM 0 HE2 PHE A 61 0.279 1.477 -5.734 1.00 4.12 H new ATOM 0 HZ PHE A 61 0.178 1.452 -8.219 1.00 23.25 H new ATOM 917 N VAL A 62 4.561 6.650 -7.676 1.00 52.30 N ATOM 918 CA VAL A 62 5.044 7.715 -8.558 1.00 73.12 C ATOM 919 C VAL A 62 3.989 8.808 -8.794 1.00 10.53 C ATOM 920 O VAL A 62 4.324 9.934 -9.172 1.00 31.12 O ATOM 921 CB VAL A 62 5.532 7.055 -9.869 1.00 50.42 C ATOM 922 CG1 VAL A 62 5.720 8.047 -11.019 1.00 61.20 C ATOM 923 CG2 VAL A 62 6.852 6.327 -9.585 1.00 73.01 C ATOM 0 H VAL A 62 4.199 5.846 -8.189 1.00 52.30 H new ATOM 0 HA VAL A 62 5.874 8.240 -8.085 1.00 73.12 H new ATOM 0 HB VAL A 62 4.758 6.360 -10.195 1.00 50.42 H new ATOM 0 HG11 VAL A 62 6.063 7.515 -11.906 1.00 61.20 H new ATOM 0 HG12 VAL A 62 4.771 8.538 -11.235 1.00 61.20 H new ATOM 0 HG13 VAL A 62 6.460 8.796 -10.736 1.00 61.20 H new ATOM 0 HG21 VAL A 62 7.211 5.855 -10.499 1.00 73.01 H new ATOM 0 HG22 VAL A 62 7.594 7.043 -9.231 1.00 73.01 H new ATOM 0 HG23 VAL A 62 6.690 5.565 -8.823 1.00 73.01 H new ATOM 933 N ASP A 63 2.710 8.512 -8.568 1.00 22.03 N ATOM 934 CA ASP A 63 1.628 9.467 -8.760 1.00 23.21 C ATOM 935 C ASP A 63 0.621 9.255 -7.657 1.00 33.12 C ATOM 936 O ASP A 63 0.474 8.134 -7.167 1.00 43.34 O ATOM 937 CB ASP A 63 0.901 9.231 -10.093 1.00 32.15 C ATOM 938 CG ASP A 63 0.698 10.506 -10.902 1.00 25.44 C ATOM 939 OD1 ASP A 63 0.307 11.532 -10.294 1.00 65.40 O ATOM 940 OD2 ASP A 63 0.854 10.460 -12.142 1.00 34.23 O ATOM 0 H ASP A 63 2.397 7.597 -8.245 1.00 22.03 H new ATOM 0 HA ASP A 63 2.049 10.473 -8.755 1.00 23.21 H new ATOM 0 HB2 ASP A 63 1.471 8.518 -10.689 1.00 32.15 H new ATOM 0 HB3 ASP A 63 -0.070 8.777 -9.894 1.00 32.15 H new ATOM 944 N VAL A 64 -0.150 10.286 -7.361 1.00 3.32 N ATOM 945 CA VAL A 64 -1.271 10.178 -6.442 1.00 65.04 C ATOM 946 C VAL A 64 -2.377 9.285 -7.039 1.00 72.24 C ATOM 947 O VAL A 64 -3.114 8.637 -6.302 1.00 63.31 O ATOM 948 CB VAL A 64 -1.710 11.612 -6.076 1.00 1.41 C ATOM 949 CG1 VAL A 64 -2.338 12.391 -7.243 1.00 50.54 C ATOM 950 CG2 VAL A 64 -2.642 11.630 -4.869 1.00 44.44 C ATOM 0 H VAL A 64 -0.018 11.220 -7.749 1.00 3.32 H new ATOM 0 HA VAL A 64 -0.998 9.675 -5.514 1.00 65.04 H new ATOM 0 HB VAL A 64 -0.785 12.128 -5.818 1.00 1.41 H new ATOM 0 HG11 VAL A 64 -2.620 13.388 -6.905 1.00 50.54 H new ATOM 0 HG12 VAL A 64 -1.616 12.474 -8.056 1.00 50.54 H new ATOM 0 HG13 VAL A 64 -3.224 11.864 -7.597 1.00 50.54 H new ATOM 0 HG21 VAL A 64 -2.927 12.658 -4.645 1.00 44.44 H new ATOM 0 HG22 VAL A 64 -3.535 11.046 -5.090 1.00 44.44 H new ATOM 0 HG23 VAL A 64 -2.131 11.199 -4.008 1.00 44.44 H new ATOM 960 N SER A 65 -2.472 9.186 -8.371 1.00 42.23 N ATOM 961 CA SER A 65 -3.656 8.660 -9.038 1.00 12.43 C ATOM 962 C SER A 65 -3.966 7.205 -8.680 1.00 13.45 C ATOM 963 O SER A 65 -5.141 6.852 -8.583 1.00 5.22 O ATOM 964 CB SER A 65 -3.489 8.828 -10.551 1.00 65.04 C ATOM 965 OG SER A 65 -3.161 10.170 -10.880 1.00 33.15 O ATOM 0 H SER A 65 -1.729 9.469 -9.010 1.00 42.23 H new ATOM 0 HA SER A 65 -4.513 9.233 -8.685 1.00 12.43 H new ATOM 0 HB2 SER A 65 -2.707 8.160 -10.911 1.00 65.04 H new ATOM 0 HB3 SER A 65 -4.411 8.541 -11.057 1.00 65.04 H new ATOM 0 HG SER A 65 -3.058 10.253 -11.851 1.00 33.15 H new ATOM 970 N SER A 66 -2.962 6.341 -8.498 1.00 73.03 N ATOM 971 CA SER A 66 -3.238 4.923 -8.256 1.00 22.22 C ATOM 972 C SER A 66 -3.583 4.602 -6.794 1.00 41.12 C ATOM 973 O SER A 66 -3.938 3.460 -6.503 1.00 4.52 O ATOM 974 CB SER A 66 -2.060 4.063 -8.705 1.00 72.32 C ATOM 975 OG SER A 66 -1.630 4.437 -10.002 1.00 33.14 O ATOM 0 H SER A 66 -1.973 6.591 -8.513 1.00 73.03 H new ATOM 0 HA SER A 66 -4.123 4.688 -8.848 1.00 22.22 H new ATOM 0 HB2 SER A 66 -1.236 4.169 -7.999 1.00 72.32 H new ATOM 0 HB3 SER A 66 -2.349 3.012 -8.702 1.00 72.32 H new ATOM 0 HG SER A 66 -0.668 4.273 -10.087 1.00 33.14 H new ATOM 980 N VAL A 67 -3.503 5.558 -5.863 1.00 22.41 N ATOM 981 CA VAL A 67 -3.866 5.330 -4.463 1.00 12.44 C ATOM 982 C VAL A 67 -5.318 4.799 -4.349 1.00 42.54 C ATOM 983 O VAL A 67 -5.511 3.679 -3.864 1.00 72.31 O ATOM 984 CB VAL A 67 -3.548 6.591 -3.623 1.00 33.03 C ATOM 985 CG1 VAL A 67 -4.018 6.448 -2.171 1.00 22.03 C ATOM 986 CG2 VAL A 67 -2.033 6.873 -3.614 1.00 61.42 C ATOM 0 H VAL A 67 -3.186 6.508 -6.059 1.00 22.41 H new ATOM 0 HA VAL A 67 -3.255 4.536 -4.033 1.00 12.44 H new ATOM 0 HB VAL A 67 -4.085 7.417 -4.091 1.00 33.03 H new ATOM 0 HG11 VAL A 67 -3.774 7.356 -1.619 1.00 22.03 H new ATOM 0 HG12 VAL A 67 -5.096 6.290 -2.152 1.00 22.03 H new ATOM 0 HG13 VAL A 67 -3.518 5.597 -1.709 1.00 22.03 H new ATOM 0 HG21 VAL A 67 -1.832 7.763 -3.018 1.00 61.42 H new ATOM 0 HG22 VAL A 67 -1.507 6.021 -3.183 1.00 61.42 H new ATOM 0 HG23 VAL A 67 -1.687 7.034 -4.635 1.00 61.42 H new ATOM 996 N PRO A 68 -6.355 5.507 -4.846 1.00 53.44 N ATOM 997 CA PRO A 68 -7.717 4.985 -4.846 1.00 4.22 C ATOM 998 C PRO A 68 -7.892 3.750 -5.743 1.00 34.34 C ATOM 999 O PRO A 68 -8.867 3.016 -5.575 1.00 30.34 O ATOM 1000 CB PRO A 68 -8.621 6.147 -5.269 1.00 1.15 C ATOM 1001 CG PRO A 68 -7.689 7.045 -6.075 1.00 24.23 C ATOM 1002 CD PRO A 68 -6.357 6.871 -5.357 1.00 33.12 C ATOM 0 HA PRO A 68 -7.982 4.624 -3.852 1.00 4.22 H new ATOM 0 HB2 PRO A 68 -9.464 5.803 -5.868 1.00 1.15 H new ATOM 0 HB3 PRO A 68 -9.035 6.669 -4.406 1.00 1.15 H new ATOM 0 HG2 PRO A 68 -7.630 6.736 -7.119 1.00 24.23 H new ATOM 0 HG3 PRO A 68 -8.021 8.083 -6.068 1.00 24.23 H new ATOM 0 HD2 PRO A 68 -5.522 7.034 -6.038 1.00 33.12 H new ATOM 0 HD3 PRO A 68 -6.253 7.592 -4.546 1.00 33.12 H new ATOM 1007 N LEU A 69 -6.954 3.462 -6.653 1.00 10.25 N ATOM 1008 CA LEU A 69 -6.987 2.240 -7.448 1.00 33.33 C ATOM 1009 C LEU A 69 -6.791 1.033 -6.529 1.00 22.02 C ATOM 1010 O LEU A 69 -7.590 0.103 -6.603 1.00 1.41 O ATOM 1011 CB LEU A 69 -5.941 2.296 -8.571 1.00 32.23 C ATOM 1012 CG LEU A 69 -6.353 1.537 -9.838 1.00 72.03 C ATOM 1013 CD1 LEU A 69 -5.341 1.849 -10.941 1.00 64.03 C ATOM 1014 CD2 LEU A 69 -6.448 0.020 -9.645 1.00 32.24 C ATOM 0 H LEU A 69 -6.158 4.068 -6.854 1.00 10.25 H new ATOM 0 HA LEU A 69 -7.958 2.140 -7.932 1.00 33.33 H new ATOM 0 HB2 LEU A 69 -5.753 3.338 -8.828 1.00 32.23 H new ATOM 0 HB3 LEU A 69 -5.002 1.884 -8.201 1.00 32.23 H new ATOM 0 HG LEU A 69 -7.355 1.873 -10.104 1.00 72.03 H new ATOM 0 HD11 LEU A 69 -5.619 1.317 -11.851 1.00 64.03 H new ATOM 0 HD12 LEU A 69 -5.334 2.921 -11.136 1.00 64.03 H new ATOM 0 HD13 LEU A 69 -4.348 1.531 -10.624 1.00 64.03 H new ATOM 0 HD21 LEU A 69 -6.744 -0.448 -10.584 1.00 32.24 H new ATOM 0 HD22 LEU A 69 -5.478 -0.369 -9.336 1.00 32.24 H new ATOM 0 HD23 LEU A 69 -7.190 -0.203 -8.878 1.00 32.24 H new ATOM 1025 N ALA A 70 -5.820 1.082 -5.605 1.00 45.30 N ATOM 1026 CA ALA A 70 -5.593 0.026 -4.618 1.00 4.34 C ATOM 1027 C ALA A 70 -6.855 -0.237 -3.790 1.00 14.33 C ATOM 1028 O ALA A 70 -7.189 -1.387 -3.496 1.00 42.10 O ATOM 1029 CB ALA A 70 -4.429 0.404 -3.694 1.00 12.34 C ATOM 0 H ALA A 70 -5.168 1.862 -5.524 1.00 45.30 H new ATOM 0 HA ALA A 70 -5.341 -0.888 -5.156 1.00 4.34 H new ATOM 0 HB1 ALA A 70 -4.271 -0.390 -2.964 1.00 12.34 H new ATOM 0 HB2 ALA A 70 -3.524 0.539 -4.286 1.00 12.34 H new ATOM 0 HB3 ALA A 70 -4.664 1.333 -3.174 1.00 12.34 H new ATOM 1035 N ILE A 71 -7.603 0.817 -3.452 1.00 53.14 N ATOM 1036 CA ILE A 71 -8.866 0.706 -2.727 1.00 52.42 C ATOM 1037 C ILE A 71 -9.881 -0.088 -3.564 1.00 45.50 C ATOM 1038 O ILE A 71 -10.697 -0.838 -3.023 1.00 3.05 O ATOM 1039 CB ILE A 71 -9.382 2.110 -2.321 1.00 3.23 C ATOM 1040 CG1 ILE A 71 -8.289 2.892 -1.549 1.00 34.22 C ATOM 1041 CG2 ILE A 71 -10.655 1.951 -1.477 1.00 2.53 C ATOM 1042 CD1 ILE A 71 -8.700 4.288 -1.067 1.00 62.22 C ATOM 0 H ILE A 71 -7.345 1.778 -3.677 1.00 53.14 H new ATOM 0 HA ILE A 71 -8.713 0.153 -1.800 1.00 52.42 H new ATOM 0 HB ILE A 71 -9.620 2.685 -3.216 1.00 3.23 H new ATOM 0 HG12 ILE A 71 -7.985 2.302 -0.684 1.00 34.22 H new ATOM 0 HG13 ILE A 71 -7.414 2.990 -2.191 1.00 34.22 H new ATOM 0 HG21 ILE A 71 -11.025 2.935 -1.187 1.00 2.53 H new ATOM 0 HG22 ILE A 71 -11.417 1.435 -2.061 1.00 2.53 H new ATOM 0 HG23 ILE A 71 -10.428 1.371 -0.583 1.00 2.53 H new ATOM 0 HD11 ILE A 71 -7.866 4.751 -0.539 1.00 62.22 H new ATOM 0 HD12 ILE A 71 -8.973 4.903 -1.924 1.00 62.22 H new ATOM 0 HD13 ILE A 71 -9.553 4.204 -0.394 1.00 62.22 H new ATOM 1053 N GLY A 72 -9.824 0.006 -4.892 1.00 1.43 N ATOM 1054 CA GLY A 72 -10.611 -0.782 -5.831 1.00 41.13 C ATOM 1055 C GLY A 72 -10.268 -2.270 -5.842 1.00 41.52 C ATOM 1056 O GLY A 72 -10.859 -3.015 -6.629 1.00 71.10 O ATOM 0 H GLY A 72 -9.200 0.663 -5.360 1.00 1.43 H new ATOM 0 HA2 GLY A 72 -11.667 -0.666 -5.589 1.00 41.13 H new ATOM 0 HA3 GLY A 72 -10.468 -0.380 -6.834 1.00 41.13 H new ATOM 1060 N LEU A 73 -9.319 -2.720 -5.021 1.00 3.45 N ATOM 1061 CA LEU A 73 -8.751 -4.056 -5.023 1.00 63.04 C ATOM 1062 C LEU A 73 -8.634 -4.641 -3.603 1.00 72.20 C ATOM 1063 O LEU A 73 -8.021 -5.693 -3.461 1.00 53.44 O ATOM 1064 CB LEU A 73 -7.377 -4.026 -5.721 1.00 10.23 C ATOM 1065 CG LEU A 73 -7.339 -3.408 -7.133 1.00 22.13 C ATOM 1066 CD1 LEU A 73 -5.899 -3.223 -7.587 1.00 2.55 C ATOM 1067 CD2 LEU A 73 -8.027 -4.302 -8.159 1.00 63.40 C ATOM 0 H LEU A 73 -8.908 -2.126 -4.301 1.00 3.45 H new ATOM 0 HA LEU A 73 -9.425 -4.712 -5.574 1.00 63.04 H new ATOM 0 HB2 LEU A 73 -6.684 -3.473 -5.087 1.00 10.23 H new ATOM 0 HB3 LEU A 73 -7.004 -5.048 -5.785 1.00 10.23 H new ATOM 0 HG LEU A 73 -7.859 -2.452 -7.072 1.00 22.13 H new ATOM 0 HD11 LEU A 73 -5.886 -2.786 -8.585 1.00 2.55 H new ATOM 0 HD12 LEU A 73 -5.381 -2.560 -6.894 1.00 2.55 H new ATOM 0 HD13 LEU A 73 -5.397 -4.190 -7.608 1.00 2.55 H new ATOM 0 HD21 LEU A 73 -7.979 -3.832 -9.141 1.00 63.40 H new ATOM 0 HD22 LEU A 73 -7.525 -5.269 -8.194 1.00 63.40 H new ATOM 0 HD23 LEU A 73 -9.070 -4.445 -7.876 1.00 63.40 H new ATOM 1078 N THR A 74 -9.238 -4.050 -2.555 1.00 54.12 N ATOM 1079 CA THR A 74 -9.121 -4.520 -1.154 1.00 22.31 C ATOM 1080 C THR A 74 -9.403 -6.026 -0.968 1.00 70.33 C ATOM 1081 O THR A 74 -8.864 -6.671 -0.064 1.00 3.21 O ATOM 1082 CB THR A 74 -9.948 -3.644 -0.192 1.00 4.12 C ATOM 1083 OG1 THR A 74 -9.430 -3.735 1.123 1.00 51.11 O ATOM 1084 CG2 THR A 74 -11.446 -3.967 -0.249 1.00 4.41 C ATOM 0 H THR A 74 -9.828 -3.224 -2.654 1.00 54.12 H new ATOM 0 HA THR A 74 -8.070 -4.401 -0.890 1.00 22.31 H new ATOM 0 HB THR A 74 -9.856 -2.609 -0.520 1.00 4.12 H new ATOM 0 HG1 THR A 74 -8.680 -4.365 1.136 1.00 51.11 H new ATOM 0 HG21 THR A 74 -11.984 -3.323 0.447 1.00 4.41 H new ATOM 0 HG22 THR A 74 -11.816 -3.798 -1.260 1.00 4.41 H new ATOM 0 HG23 THR A 74 -11.604 -5.010 0.026 1.00 4.41 H new ATOM 1092 N GLY A 75 -10.254 -6.585 -1.824 1.00 53.04 N ATOM 1093 CA GLY A 75 -10.706 -7.956 -1.712 1.00 40.22 C ATOM 1094 C GLY A 75 -9.822 -8.935 -2.472 1.00 71.11 C ATOM 1095 O GLY A 75 -9.924 -10.142 -2.229 1.00 44.33 O ATOM 0 H GLY A 75 -10.650 -6.088 -2.622 1.00 53.04 H new ATOM 0 HA2 GLY A 75 -10.733 -8.240 -0.660 1.00 40.22 H new ATOM 0 HA3 GLY A 75 -11.727 -8.029 -2.088 1.00 40.22 H new ATOM 1099 N GLN A 76 -8.976 -8.456 -3.387 1.00 10.21 N ATOM 1100 CA GLN A 76 -8.005 -9.299 -4.064 1.00 23.11 C ATOM 1101 C GLN A 76 -6.915 -9.712 -3.093 1.00 65.44 C ATOM 1102 O GLN A 76 -6.846 -9.218 -1.972 1.00 42.03 O ATOM 1103 CB GLN A 76 -7.398 -8.581 -5.263 1.00 10.34 C ATOM 1104 CG GLN A 76 -8.431 -8.355 -6.363 1.00 34.51 C ATOM 1105 CD GLN A 76 -7.797 -8.041 -7.711 1.00 50.52 C ATOM 1106 OE1 GLN A 76 -6.605 -8.242 -7.954 1.00 3.14 O ATOM 1107 NE2 GLN A 76 -8.606 -7.550 -8.619 1.00 45.14 N ATOM 0 H GLN A 76 -8.950 -7.478 -3.674 1.00 10.21 H new ATOM 0 HA GLN A 76 -8.518 -10.189 -4.428 1.00 23.11 H new ATOM 0 HB2 GLN A 76 -6.988 -7.622 -4.945 1.00 10.34 H new ATOM 0 HB3 GLN A 76 -6.568 -9.167 -5.657 1.00 10.34 H new ATOM 0 HG2 GLN A 76 -9.055 -9.244 -6.458 1.00 34.51 H new ATOM 0 HG3 GLN A 76 -9.088 -7.534 -6.075 1.00 34.51 H new ATOM 0 HE21 GLN A 76 -9.588 -7.392 -8.395 1.00 45.14 H new ATOM 0 HE22 GLN A 76 -8.253 -7.326 -9.549 1.00 45.14 H new ATOM 1114 N ARG A 77 -6.062 -10.638 -3.530 1.00 1.52 N ATOM 1115 CA ARG A 77 -4.940 -11.124 -2.751 1.00 42.31 C ATOM 1116 C ARG A 77 -3.899 -11.705 -3.685 1.00 41.53 C ATOM 1117 O ARG A 77 -4.217 -12.568 -4.503 1.00 64.42 O ATOM 1118 CB ARG A 77 -5.410 -12.151 -1.709 1.00 50.40 C ATOM 1119 CG ARG A 77 -6.423 -13.168 -2.253 1.00 25.33 C ATOM 1120 CD ARG A 77 -6.763 -14.154 -1.148 1.00 22.31 C ATOM 1121 NE ARG A 77 -7.676 -15.193 -1.636 1.00 22.15 N ATOM 1122 CZ ARG A 77 -7.606 -16.476 -1.285 1.00 34.22 C ATOM 1123 NH1 ARG A 77 -6.854 -16.851 -0.261 1.00 34.11 N ATOM 1124 NH2 ARG A 77 -8.318 -17.381 -1.937 1.00 44.24 N ATOM 0 H ARG A 77 -6.138 -11.073 -4.449 1.00 1.52 H new ATOM 0 HA ARG A 77 -4.488 -10.298 -2.202 1.00 42.31 H new ATOM 0 HB2 ARG A 77 -4.542 -12.687 -1.324 1.00 50.40 H new ATOM 0 HB3 ARG A 77 -5.857 -11.622 -0.867 1.00 50.40 H new ATOM 0 HG2 ARG A 77 -7.324 -12.658 -2.595 1.00 25.33 H new ATOM 0 HG3 ARG A 77 -6.007 -13.693 -3.113 1.00 25.33 H new ATOM 0 HD2 ARG A 77 -5.849 -14.614 -0.772 1.00 22.31 H new ATOM 0 HD3 ARG A 77 -7.221 -13.626 -0.312 1.00 22.31 H new ATOM 0 HE ARG A 77 -8.412 -14.915 -2.286 1.00 22.15 H new ATOM 0 HH11 ARG A 77 -6.324 -16.156 0.264 1.00 34.11 H new ATOM 0 HH12 ARG A 77 -6.805 -17.835 0.002 1.00 34.11 H new ATOM 0 HH21 ARG A 77 -8.921 -17.096 -2.709 1.00 44.24 H new ATOM 0 HH22 ARG A 77 -8.264 -18.363 -1.668 1.00 44.24 H new ATOM 1135 N VAL A 78 -2.657 -11.270 -3.550 1.00 65.33 N ATOM 1136 CA VAL A 78 -1.528 -11.857 -4.248 1.00 65.00 C ATOM 1137 C VAL A 78 -1.095 -13.036 -3.389 1.00 34.21 C ATOM 1138 O VAL A 78 -0.389 -12.856 -2.402 1.00 65.41 O ATOM 1139 CB VAL A 78 -0.459 -10.768 -4.479 1.00 41.52 C ATOM 1140 CG1 VAL A 78 0.836 -11.239 -5.152 1.00 44.20 C ATOM 1141 CG2 VAL A 78 -1.072 -9.697 -5.387 1.00 44.10 C ATOM 0 H VAL A 78 -2.403 -10.489 -2.945 1.00 65.33 H new ATOM 0 HA VAL A 78 -1.750 -12.231 -5.247 1.00 65.00 H new ATOM 0 HB VAL A 78 -0.180 -10.415 -3.486 1.00 41.52 H new ATOM 0 HG11 VAL A 78 1.515 -10.394 -5.265 1.00 44.20 H new ATOM 0 HG12 VAL A 78 1.308 -12.004 -4.536 1.00 44.20 H new ATOM 0 HG13 VAL A 78 0.606 -11.654 -6.133 1.00 44.20 H new ATOM 0 HG21 VAL A 78 -0.339 -8.911 -5.569 1.00 44.10 H new ATOM 0 HG22 VAL A 78 -1.364 -10.148 -6.335 1.00 44.10 H new ATOM 0 HG23 VAL A 78 -1.950 -9.269 -4.903 1.00 44.10 H new ATOM 1151 N LEU A 79 -1.581 -14.240 -3.705 1.00 51.43 N ATOM 1152 CA LEU A 79 -1.114 -15.503 -3.118 1.00 61.31 C ATOM 1153 C LEU A 79 -1.425 -15.617 -1.621 1.00 2.40 C ATOM 1154 O LEU A 79 -0.766 -16.366 -0.897 1.00 64.33 O ATOM 1155 CB LEU A 79 0.388 -15.717 -3.422 1.00 21.23 C ATOM 1156 CG LEU A 79 0.807 -15.475 -4.885 1.00 14.20 C ATOM 1157 CD1 LEU A 79 2.326 -15.548 -4.992 1.00 5.23 C ATOM 1158 CD2 LEU A 79 0.172 -16.501 -5.827 1.00 25.42 C ATOM 0 H LEU A 79 -2.326 -14.368 -4.390 1.00 51.43 H new ATOM 0 HA LEU A 79 -1.674 -16.309 -3.592 1.00 61.31 H new ATOM 0 HB2 LEU A 79 0.969 -15.054 -2.781 1.00 21.23 H new ATOM 0 HB3 LEU A 79 0.655 -16.738 -3.150 1.00 21.23 H new ATOM 0 HG LEU A 79 0.457 -14.487 -5.183 1.00 14.20 H new ATOM 0 HD11 LEU A 79 2.627 -15.377 -6.026 1.00 5.23 H new ATOM 0 HD12 LEU A 79 2.773 -14.786 -4.354 1.00 5.23 H new ATOM 0 HD13 LEU A 79 2.666 -16.533 -4.673 1.00 5.23 H new ATOM 0 HD21 LEU A 79 0.489 -16.300 -6.850 1.00 25.42 H new ATOM 0 HD22 LEU A 79 0.488 -17.504 -5.539 1.00 25.42 H new ATOM 0 HD23 LEU A 79 -0.914 -16.430 -5.763 1.00 25.42 H new ATOM 1169 N GLY A 80 -2.428 -14.881 -1.143 1.00 24.43 N ATOM 1170 CA GLY A 80 -2.756 -14.796 0.271 1.00 30.33 C ATOM 1171 C GLY A 80 -2.327 -13.473 0.910 1.00 32.20 C ATOM 1172 O GLY A 80 -2.359 -13.350 2.138 1.00 63.05 O ATOM 0 H GLY A 80 -3.040 -14.322 -1.738 1.00 24.43 H new ATOM 0 HA2 GLY A 80 -3.832 -14.921 0.396 1.00 30.33 H new ATOM 0 HA3 GLY A 80 -2.276 -15.620 0.799 1.00 30.33 H new ATOM 1176 N VAL A 81 -1.944 -12.482 0.102 1.00 32.22 N ATOM 1177 CA VAL A 81 -1.615 -11.124 0.508 1.00 45.14 C ATOM 1178 C VAL A 81 -2.669 -10.169 -0.059 1.00 3.41 C ATOM 1179 O VAL A 81 -2.473 -9.639 -1.156 1.00 70.03 O ATOM 1180 CB VAL A 81 -0.179 -10.787 0.066 1.00 14.22 C ATOM 1181 CG1 VAL A 81 0.213 -9.372 0.483 1.00 30.32 C ATOM 1182 CG2 VAL A 81 0.781 -11.804 0.693 1.00 72.24 C ATOM 0 H VAL A 81 -1.852 -12.618 -0.905 1.00 32.22 H new ATOM 0 HA VAL A 81 -1.636 -11.019 1.593 1.00 45.14 H new ATOM 0 HB VAL A 81 -0.124 -10.837 -1.021 1.00 14.22 H new ATOM 0 HG11 VAL A 81 1.232 -9.166 0.156 1.00 30.32 H new ATOM 0 HG12 VAL A 81 -0.468 -8.655 0.023 1.00 30.32 H new ATOM 0 HG13 VAL A 81 0.155 -9.283 1.568 1.00 30.32 H new ATOM 0 HG21 VAL A 81 1.802 -11.576 0.388 1.00 72.24 H new ATOM 0 HG22 VAL A 81 0.707 -11.752 1.779 1.00 72.24 H new ATOM 0 HG23 VAL A 81 0.517 -12.807 0.359 1.00 72.24 H new ATOM 1192 N PRO A 82 -3.818 -10.004 0.618 1.00 22.11 N ATOM 1193 CA PRO A 82 -4.761 -8.931 0.339 1.00 22.11 C ATOM 1194 C PRO A 82 -4.224 -7.569 0.793 1.00 51.52 C ATOM 1195 O PRO A 82 -3.167 -7.473 1.423 1.00 44.53 O ATOM 1196 CB PRO A 82 -6.056 -9.323 1.058 1.00 64.10 C ATOM 1197 CG PRO A 82 -5.564 -10.157 2.231 1.00 11.03 C ATOM 1198 CD PRO A 82 -4.292 -10.820 1.723 1.00 3.44 C ATOM 0 HA PRO A 82 -4.932 -8.814 -0.731 1.00 22.11 H new ATOM 0 HB2 PRO A 82 -6.612 -8.447 1.392 1.00 64.10 H new ATOM 0 HB3 PRO A 82 -6.720 -9.894 0.409 1.00 64.10 H new ATOM 0 HG2 PRO A 82 -5.366 -9.535 3.104 1.00 11.03 H new ATOM 0 HG3 PRO A 82 -6.306 -10.898 2.529 1.00 11.03 H new ATOM 0 HD2 PRO A 82 -3.542 -10.878 2.512 1.00 3.44 H new ATOM 0 HD3 PRO A 82 -4.490 -11.841 1.395 1.00 3.44 H new ATOM 1203 N ILE A 83 -4.984 -6.510 0.511 1.00 22.34 N ATOM 1204 CA ILE A 83 -4.673 -5.138 0.896 1.00 31.35 C ATOM 1205 C ILE A 83 -5.813 -4.595 1.766 1.00 72.23 C ATOM 1206 O ILE A 83 -6.771 -5.314 2.032 1.00 32.41 O ATOM 1207 CB ILE A 83 -4.336 -4.324 -0.377 1.00 64.41 C ATOM 1208 CG1 ILE A 83 -3.640 -2.994 -0.017 1.00 32.15 C ATOM 1209 CG2 ILE A 83 -5.556 -4.064 -1.281 1.00 10.45 C ATOM 1210 CD1 ILE A 83 -2.712 -2.510 -1.126 1.00 43.42 C ATOM 0 H ILE A 83 -5.859 -6.589 -0.007 1.00 22.34 H new ATOM 0 HA ILE A 83 -3.783 -5.065 1.521 1.00 31.35 H new ATOM 0 HB ILE A 83 -3.649 -4.944 -0.953 1.00 64.41 H new ATOM 0 HG12 ILE A 83 -4.395 -2.233 0.181 1.00 32.15 H new ATOM 0 HG13 ILE A 83 -3.069 -3.122 0.902 1.00 32.15 H new ATOM 0 HG21 ILE A 83 -5.246 -3.489 -2.154 1.00 10.45 H new ATOM 0 HG22 ILE A 83 -5.978 -5.015 -1.605 1.00 10.45 H new ATOM 0 HG23 ILE A 83 -6.308 -3.504 -0.725 1.00 10.45 H new ATOM 0 HD11 ILE A 83 -2.246 -1.571 -0.826 1.00 43.42 H new ATOM 0 HD12 ILE A 83 -1.940 -3.258 -1.306 1.00 43.42 H new ATOM 0 HD13 ILE A 83 -3.287 -2.354 -2.039 1.00 43.42 H new ATOM 1221 N ILE A 84 -5.689 -3.365 2.266 1.00 33.21 N ATOM 1222 CA ILE A 84 -6.731 -2.665 3.010 1.00 53.54 C ATOM 1223 C ILE A 84 -7.023 -1.332 2.319 1.00 61.11 C ATOM 1224 O ILE A 84 -6.110 -0.588 1.958 1.00 71.04 O ATOM 1225 CB ILE A 84 -6.307 -2.498 4.491 1.00 13.11 C ATOM 1226 CG1 ILE A 84 -6.181 -3.857 5.207 1.00 23.01 C ATOM 1227 CG2 ILE A 84 -7.240 -1.590 5.313 1.00 34.11 C ATOM 1228 CD1 ILE A 84 -7.493 -4.628 5.368 1.00 31.53 C ATOM 0 H ILE A 84 -4.837 -2.815 2.160 1.00 33.21 H new ATOM 0 HA ILE A 84 -7.655 -3.244 3.017 1.00 53.54 H new ATOM 0 HB ILE A 84 -5.334 -2.010 4.439 1.00 13.11 H new ATOM 0 HG12 ILE A 84 -5.478 -4.479 4.653 1.00 23.01 H new ATOM 0 HG13 ILE A 84 -5.751 -3.692 6.195 1.00 23.01 H new ATOM 0 HG21 ILE A 84 -6.874 -1.525 6.338 1.00 34.11 H new ATOM 0 HG22 ILE A 84 -7.260 -0.594 4.871 1.00 34.11 H new ATOM 0 HG23 ILE A 84 -8.247 -2.008 5.313 1.00 34.11 H new ATOM 0 HD11 ILE A 84 -7.301 -5.570 5.883 1.00 31.53 H new ATOM 0 HD12 ILE A 84 -8.196 -4.033 5.951 1.00 31.53 H new ATOM 0 HD13 ILE A 84 -7.918 -4.832 4.385 1.00 31.53 H new ATOM 1239 N VAL A 85 -8.314 -1.002 2.255 1.00 62.43 N ATOM 1240 CA VAL A 85 -8.957 0.247 1.838 1.00 24.32 C ATOM 1241 C VAL A 85 -8.334 1.539 2.385 1.00 5.12 C ATOM 1242 O VAL A 85 -8.583 2.605 1.821 1.00 4.35 O ATOM 1243 CB VAL A 85 -10.443 0.115 2.254 1.00 72.32 C ATOM 1244 CG1 VAL A 85 -11.256 1.417 2.296 1.00 50.40 C ATOM 1245 CG2 VAL A 85 -11.155 -0.887 1.352 1.00 53.12 C ATOM 0 H VAL A 85 -9.019 -1.687 2.527 1.00 62.43 H new ATOM 0 HA VAL A 85 -8.821 0.360 0.762 1.00 24.32 H new ATOM 0 HB VAL A 85 -10.397 -0.227 3.288 1.00 72.32 H new ATOM 0 HG11 VAL A 85 -12.279 1.197 2.600 1.00 50.40 H new ATOM 0 HG12 VAL A 85 -10.805 2.105 3.011 1.00 50.40 H new ATOM 0 HG13 VAL A 85 -11.262 1.875 1.307 1.00 50.40 H new ATOM 0 HG21 VAL A 85 -12.199 -0.971 1.654 1.00 53.12 H new ATOM 0 HG22 VAL A 85 -11.103 -0.547 0.318 1.00 53.12 H new ATOM 0 HG23 VAL A 85 -10.673 -1.861 1.438 1.00 53.12 H new ATOM 1255 N GLN A 86 -7.538 1.488 3.451 1.00 34.13 N ATOM 1256 CA GLN A 86 -6.820 2.653 3.952 1.00 64.40 C ATOM 1257 C GLN A 86 -6.008 3.304 2.850 1.00 61.11 C ATOM 1258 O GLN A 86 -6.274 4.465 2.553 1.00 42.10 O ATOM 1259 CB GLN A 86 -5.936 2.317 5.156 1.00 63.13 C ATOM 1260 CG GLN A 86 -6.754 2.328 6.451 1.00 50.33 C ATOM 1261 CD GLN A 86 -6.182 3.306 7.462 1.00 72.32 C ATOM 1262 OE1 GLN A 86 -6.650 4.433 7.565 1.00 30.24 O ATOM 1263 NE2 GLN A 86 -5.161 2.908 8.195 1.00 65.13 N ATOM 0 H GLN A 86 -7.374 0.638 3.990 1.00 34.13 H new ATOM 0 HA GLN A 86 -7.570 3.365 4.296 1.00 64.40 H new ATOM 0 HB2 GLN A 86 -5.481 1.336 5.016 1.00 63.13 H new ATOM 0 HB3 GLN A 86 -5.122 3.039 5.228 1.00 63.13 H new ATOM 0 HG2 GLN A 86 -7.787 2.596 6.228 1.00 50.33 H new ATOM 0 HG3 GLN A 86 -6.770 1.326 6.881 1.00 50.33 H new ATOM 0 HE21 GLN A 86 -4.793 1.963 8.087 1.00 65.13 H new ATOM 0 HE22 GLN A 86 -4.739 3.545 8.871 1.00 65.13 H new ATOM 1270 N ALA A 87 -5.092 2.540 2.240 1.00 3.11 N ATOM 1271 CA ALA A 87 -4.230 3.022 1.172 1.00 52.31 C ATOM 1272 C ALA A 87 -3.495 4.303 1.609 1.00 65.33 C ATOM 1273 O ALA A 87 -3.454 5.275 0.874 1.00 51.31 O ATOM 1274 CB ALA A 87 -5.075 3.170 -0.102 1.00 12.23 C ATOM 0 H ALA A 87 -4.933 1.562 2.482 1.00 3.11 H new ATOM 0 HA ALA A 87 -3.436 2.310 0.947 1.00 52.31 H new ATOM 0 HB1 ALA A 87 -4.446 3.531 -0.916 1.00 12.23 H new ATOM 0 HB2 ALA A 87 -5.498 2.203 -0.372 1.00 12.23 H new ATOM 0 HB3 ALA A 87 -5.881 3.882 0.077 1.00 12.23 H new ATOM 1280 N SER A 88 -2.867 4.255 2.792 1.00 33.31 N ATOM 1281 CA SER A 88 -2.212 5.391 3.451 1.00 3.32 C ATOM 1282 C SER A 88 -3.162 6.590 3.560 1.00 25.01 C ATOM 1283 O SER A 88 -4.372 6.404 3.737 1.00 31.03 O ATOM 1284 CB SER A 88 -0.808 5.656 2.858 1.00 31.34 C ATOM 1285 OG SER A 88 0.143 5.844 3.888 1.00 62.44 O ATOM 0 H SER A 88 -2.799 3.394 3.334 1.00 33.31 H new ATOM 0 HA SER A 88 -1.996 5.146 4.491 1.00 3.32 H new ATOM 0 HB2 SER A 88 -0.509 4.817 2.229 1.00 31.34 H new ATOM 0 HB3 SER A 88 -0.838 6.538 2.219 1.00 31.34 H new ATOM 0 HG SER A 88 0.639 5.011 4.031 1.00 62.44 H new