USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=13 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 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 174:sc= -0.152 (180deg=-0.191) USER MOD Single : A 19 GLN :FLIP amide:sc= -0.329 F(o=-1.6,f=-0.33) USER MOD Single : A 34 SER OG : rot -151:sc= 1.12 USER MOD Single : A 35 THR OG1 : rot -114:sc= -0.725 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -170:sc= -0.148 (180deg=-0.214) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 158:sc= 0.57 USER MOD Single : A 74 THR OG1 : rot 37:sc= 0.352 USER MOD Single : A 76 GLN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : A 86 GLN : amide:sc= -0.0596 X(o=-0.06,f=-0.06) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 163 N ARG A 13 -0.052 10.136 -1.491 1.00 23.34 N ATOM 164 CA ARG A 13 0.310 9.329 -2.655 1.00 63.32 C ATOM 165 C ARG A 13 0.716 7.885 -2.333 1.00 22.22 C ATOM 166 O ARG A 13 0.955 7.116 -3.269 1.00 4.10 O ATOM 167 CB ARG A 13 1.477 10.053 -3.356 1.00 13.42 C ATOM 168 CG ARG A 13 1.064 10.713 -4.682 1.00 42.15 C ATOM 169 CD ARG A 13 2.131 11.666 -5.256 1.00 34.42 C ATOM 170 NE ARG A 13 3.116 11.011 -6.124 1.00 42.33 N ATOM 171 CZ ARG A 13 4.151 10.255 -5.738 1.00 61.21 C ATOM 172 NH1 ARG A 13 4.517 10.148 -4.464 1.00 55.45 N ATOM 173 NH2 ARG A 13 4.850 9.613 -6.653 1.00 54.31 N ATOM 0 HA ARG A 13 -0.575 9.237 -3.285 1.00 63.32 H new ATOM 0 HB2 ARG A 13 1.879 10.814 -2.687 1.00 13.42 H new ATOM 0 HB3 ARG A 13 2.279 9.339 -3.546 1.00 13.42 H new ATOM 0 HG2 ARG A 13 0.852 9.935 -5.415 1.00 42.15 H new ATOM 0 HG3 ARG A 13 0.138 11.268 -4.529 1.00 42.15 H new ATOM 0 HD2 ARG A 13 1.633 12.454 -5.821 1.00 34.42 H new ATOM 0 HD3 ARG A 13 2.654 12.148 -4.430 1.00 34.42 H new ATOM 0 HE ARG A 13 3.000 11.146 -7.128 1.00 42.33 H new ATOM 0 HH11 ARG A 13 4.003 10.652 -3.742 1.00 55.45 H new ATOM 0 HH12 ARG A 13 5.312 9.562 -4.209 1.00 55.45 H new ATOM 0 HH21 ARG A 13 4.599 9.697 -7.638 1.00 54.31 H new ATOM 0 HH22 ARG A 13 5.642 9.033 -6.376 1.00 54.31 H new ATOM 184 N THR A 14 0.866 7.524 -1.064 1.00 45.42 N ATOM 185 CA THR A 14 1.337 6.223 -0.628 1.00 73.22 C ATOM 186 C THR A 14 0.132 5.391 -0.167 1.00 70.23 C ATOM 187 O THR A 14 -0.790 5.926 0.448 1.00 65.31 O ATOM 188 CB THR A 14 2.355 6.472 0.499 1.00 64.11 C ATOM 189 OG1 THR A 14 3.427 7.273 0.037 1.00 43.14 O ATOM 190 CG2 THR A 14 2.962 5.184 1.043 1.00 23.32 C ATOM 0 H THR A 14 0.655 8.152 -0.288 1.00 45.42 H new ATOM 0 HA THR A 14 1.825 5.661 -1.424 1.00 73.22 H new ATOM 0 HB THR A 14 1.797 6.970 1.292 1.00 64.11 H new ATOM 0 HG1 THR A 14 4.063 7.422 0.768 1.00 43.14 H new ATOM 0 HG21 THR A 14 3.672 5.423 1.835 1.00 23.32 H new ATOM 0 HG22 THR A 14 2.171 4.550 1.444 1.00 23.32 H new ATOM 0 HG23 THR A 14 3.478 4.657 0.240 1.00 23.32 H new ATOM 198 N VAL A 15 0.156 4.071 -0.379 1.00 34.12 N ATOM 199 CA VAL A 15 -0.919 3.175 0.044 1.00 24.50 C ATOM 200 C VAL A 15 -0.396 2.271 1.154 1.00 1.10 C ATOM 201 O VAL A 15 0.596 1.565 0.974 1.00 72.11 O ATOM 202 CB VAL A 15 -1.590 2.454 -1.148 1.00 11.03 C ATOM 203 CG1 VAL A 15 -2.344 3.499 -1.978 1.00 44.21 C ATOM 204 CG2 VAL A 15 -0.669 1.650 -2.079 1.00 74.45 C ATOM 0 H VAL A 15 0.925 3.595 -0.850 1.00 34.12 H new ATOM 0 HA VAL A 15 -1.744 3.747 0.469 1.00 24.50 H new ATOM 0 HB VAL A 15 -2.240 1.704 -0.696 1.00 11.03 H new ATOM 0 HG11 VAL A 15 -2.826 3.012 -2.826 1.00 44.21 H new ATOM 0 HG12 VAL A 15 -3.100 3.980 -1.358 1.00 44.21 H new ATOM 0 HG13 VAL A 15 -1.643 4.250 -2.342 1.00 44.21 H new ATOM 0 HG21 VAL A 15 -1.262 1.194 -2.872 1.00 74.45 H new ATOM 0 HG22 VAL A 15 0.075 2.315 -2.518 1.00 74.45 H new ATOM 0 HG23 VAL A 15 -0.166 0.870 -1.508 1.00 74.45 H new ATOM 214 N PHE A 16 -1.008 2.375 2.337 1.00 64.44 N ATOM 215 CA PHE A 16 -0.795 1.470 3.451 1.00 11.33 C ATOM 216 C PHE A 16 -1.466 0.139 3.135 1.00 71.22 C ATOM 217 O PHE A 16 -2.695 0.058 3.073 1.00 54.43 O ATOM 218 CB PHE A 16 -1.360 2.052 4.756 1.00 25.11 C ATOM 219 CG PHE A 16 -1.303 1.135 5.966 1.00 71.22 C ATOM 220 CD1 PHE A 16 -0.226 0.254 6.150 1.00 33.53 C ATOM 221 CD2 PHE A 16 -2.348 1.143 6.910 1.00 63.14 C ATOM 222 CE1 PHE A 16 -0.227 -0.640 7.228 1.00 45.00 C ATOM 223 CE2 PHE A 16 -2.347 0.247 7.995 1.00 11.24 C ATOM 224 CZ PHE A 16 -1.284 -0.659 8.152 1.00 12.41 C ATOM 0 H PHE A 16 -1.681 3.113 2.544 1.00 64.44 H new ATOM 0 HA PHE A 16 0.276 1.325 3.592 1.00 11.33 H new ATOM 0 HB2 PHE A 16 -0.815 2.966 4.990 1.00 25.11 H new ATOM 0 HB3 PHE A 16 -2.399 2.335 4.586 1.00 25.11 H new ATOM 0 HD1 PHE A 16 0.604 0.266 5.460 1.00 33.53 H new ATOM 0 HD2 PHE A 16 -3.161 1.846 6.800 1.00 63.14 H new ATOM 0 HE1 PHE A 16 0.598 -1.326 7.351 1.00 45.00 H new ATOM 0 HE2 PHE A 16 -3.161 0.255 8.705 1.00 11.24 H new ATOM 0 HZ PHE A 16 -1.280 -1.361 8.973 1.00 12.41 H new ATOM 233 N CYS A 17 -0.643 -0.888 2.961 1.00 2.35 N ATOM 234 CA CYS A 17 -1.044 -2.271 2.809 1.00 23.41 C ATOM 235 C CYS A 17 -0.875 -2.952 4.173 1.00 53.33 C ATOM 236 O CYS A 17 0.179 -2.848 4.806 1.00 42.02 O ATOM 237 CB CYS A 17 -0.179 -2.927 1.727 1.00 2.45 C ATOM 238 SG CYS A 17 -0.233 -1.967 0.182 1.00 34.33 S ATOM 0 H CYS A 17 0.369 -0.768 2.921 1.00 2.35 H new ATOM 0 HA CYS A 17 -2.084 -2.362 2.494 1.00 23.41 H new ATOM 0 HB2 CYS A 17 0.851 -3.004 2.076 1.00 2.45 H new ATOM 0 HB3 CYS A 17 -0.530 -3.942 1.541 1.00 2.45 H new ATOM 0 HG CYS A 17 0.510 -2.545 -0.714 1.00 34.33 H new ATOM 243 N MET A 18 -1.912 -3.652 4.628 1.00 43.42 N ATOM 244 CA MET A 18 -1.988 -4.340 5.915 1.00 73.53 C ATOM 245 C MET A 18 -2.402 -5.795 5.641 1.00 10.02 C ATOM 246 O MET A 18 -2.681 -6.136 4.491 1.00 53.23 O ATOM 247 CB MET A 18 -2.962 -3.558 6.820 1.00 24.54 C ATOM 248 CG MET A 18 -2.967 -4.019 8.284 1.00 25.41 C ATOM 249 SD MET A 18 -3.683 -2.859 9.484 1.00 42.10 S ATOM 250 CE MET A 18 -5.417 -2.889 8.970 1.00 71.21 C ATOM 0 H MET A 18 -2.766 -3.760 4.081 1.00 43.42 H new ATOM 0 HA MET A 18 -1.036 -4.375 6.445 1.00 73.53 H new ATOM 0 HB2 MET A 18 -2.703 -2.500 6.785 1.00 24.54 H new ATOM 0 HB3 MET A 18 -3.970 -3.653 6.417 1.00 24.54 H new ATOM 0 HG2 MET A 18 -3.516 -4.959 8.346 1.00 25.41 H new ATOM 0 HG3 MET A 18 -1.940 -4.229 8.581 1.00 25.41 H new ATOM 0 HE1 MET A 18 -6.015 -2.310 9.674 1.00 71.21 H new ATOM 0 HE2 MET A 18 -5.509 -2.456 7.974 1.00 71.21 H new ATOM 0 HE3 MET A 18 -5.774 -3.919 8.953 1.00 71.21 H new ATOM 258 N GLN A 19 -2.454 -6.644 6.674 1.00 53.42 N ATOM 259 CA GLN A 19 -2.781 -8.069 6.596 1.00 23.43 C ATOM 260 C GLN A 19 -1.756 -8.893 5.788 1.00 43.40 C ATOM 261 O GLN A 19 -2.057 -9.999 5.327 1.00 41.23 O ATOM 262 CB GLN A 19 -4.247 -8.236 6.147 1.00 14.23 C ATOM 263 CG GLN A 19 -4.905 -9.433 6.851 1.00 34.13 C ATOM 264 CD GLN A 19 -6.392 -9.595 6.552 1.00 32.21 C ATOM 265 OE1 GLN A 19 -6.807 -9.366 5.320 1.00 73.44 O flip ATOM 266 NE2 GLN A 19 -7.181 -9.934 7.431 1.00 14.45 N flip ATOM 0 H GLN A 19 -2.260 -6.341 7.629 1.00 53.42 H new ATOM 0 HA GLN A 19 -2.698 -8.503 7.593 1.00 23.43 H new ATOM 0 HB2 GLN A 19 -4.805 -7.327 6.370 1.00 14.23 H new ATOM 0 HB3 GLN A 19 -4.287 -8.378 5.067 1.00 14.23 H new ATOM 0 HG2 GLN A 19 -4.385 -10.344 6.556 1.00 34.13 H new ATOM 0 HG3 GLN A 19 -4.772 -9.325 7.927 1.00 34.13 H new ATOM 0 HE21 GLN A 19 -6.845 -10.107 8.378 1.00 14.45 H new ATOM 0 HE22 GLN A 19 -8.172 -10.042 7.213 1.00 14.45 H new ATOM 273 N LEU A 20 -0.530 -8.374 5.627 1.00 70.14 N ATOM 274 CA LEU A 20 0.519 -9.000 4.818 1.00 70.21 C ATOM 275 C LEU A 20 1.085 -10.244 5.510 1.00 52.31 C ATOM 276 O LEU A 20 0.827 -10.477 6.695 1.00 14.05 O ATOM 277 CB LEU A 20 1.653 -8.008 4.498 1.00 61.51 C ATOM 278 CG LEU A 20 1.186 -6.657 3.928 1.00 52.21 C ATOM 279 CD1 LEU A 20 2.408 -5.828 3.534 1.00 41.44 C ATOM 280 CD2 LEU A 20 0.280 -6.827 2.708 1.00 23.25 C ATOM 0 H LEU A 20 -0.239 -7.498 6.061 1.00 70.14 H new ATOM 0 HA LEU A 20 0.059 -9.306 3.878 1.00 70.21 H new ATOM 0 HB2 LEU A 20 2.224 -7.825 5.408 1.00 61.51 H new ATOM 0 HB3 LEU A 20 2.332 -8.473 3.784 1.00 61.51 H new ATOM 0 HG LEU A 20 0.609 -6.152 4.703 1.00 52.21 H new ATOM 0 HD11 LEU A 20 2.082 -4.870 3.129 1.00 41.44 H new ATOM 0 HD12 LEU A 20 3.031 -5.658 4.412 1.00 41.44 H new ATOM 0 HD13 LEU A 20 2.983 -6.364 2.779 1.00 41.44 H new ATOM 0 HD21 LEU A 20 -0.024 -5.847 2.341 1.00 23.25 H new ATOM 0 HD22 LEU A 20 0.821 -7.356 1.924 1.00 23.25 H new ATOM 0 HD23 LEU A 20 -0.604 -7.400 2.988 1.00 23.25 H new ATOM 291 N ALA A 21 1.878 -11.036 4.784 1.00 52.14 N ATOM 292 CA ALA A 21 2.264 -12.376 5.204 1.00 23.42 C ATOM 293 C ALA A 21 3.733 -12.510 5.580 1.00 25.15 C ATOM 294 O ALA A 21 4.585 -11.697 5.216 1.00 4.24 O ATOM 295 CB ALA A 21 1.923 -13.373 4.099 1.00 12.22 C ATOM 0 H ALA A 21 2.270 -10.760 3.884 1.00 52.14 H new ATOM 0 HA ALA A 21 1.699 -12.588 6.111 1.00 23.42 H new ATOM 0 HB1 ALA A 21 2.212 -14.376 4.412 1.00 12.22 H new ATOM 0 HB2 ALA A 21 0.851 -13.348 3.905 1.00 12.22 H new ATOM 0 HB3 ALA A 21 2.463 -13.108 3.190 1.00 12.22 H new ATOM 301 N ALA A 22 4.005 -13.638 6.231 1.00 30.51 N ATOM 302 CA ALA A 22 5.318 -14.180 6.537 1.00 2.11 C ATOM 303 C ALA A 22 5.942 -14.913 5.332 1.00 4.12 C ATOM 304 O ALA A 22 7.029 -15.479 5.451 1.00 64.32 O ATOM 305 CB ALA A 22 5.138 -15.115 7.735 1.00 62.34 C ATOM 0 H ALA A 22 3.258 -14.237 6.582 1.00 30.51 H new ATOM 0 HA ALA A 22 6.014 -13.375 6.773 1.00 2.11 H new ATOM 0 HB1 ALA A 22 6.100 -15.550 8.005 1.00 62.34 H new ATOM 0 HB2 ALA A 22 4.744 -14.551 8.581 1.00 62.34 H new ATOM 0 HB3 ALA A 22 4.441 -15.911 7.474 1.00 62.34 H new ATOM 311 N ARG A 23 5.275 -14.928 4.174 1.00 24.44 N ATOM 312 CA ARG A 23 5.812 -15.372 2.891 1.00 31.42 C ATOM 313 C ARG A 23 5.376 -14.344 1.855 1.00 71.22 C ATOM 314 O ARG A 23 4.398 -14.553 1.139 1.00 31.53 O ATOM 315 CB ARG A 23 5.319 -16.789 2.524 1.00 25.44 C ATOM 316 CG ARG A 23 5.902 -17.936 3.361 1.00 41.42 C ATOM 317 CD ARG A 23 7.411 -18.139 3.152 1.00 70.41 C ATOM 318 NE ARG A 23 7.810 -19.493 3.557 1.00 33.51 N ATOM 319 CZ ARG A 23 9.049 -19.963 3.730 1.00 1.44 C ATOM 320 NH1 ARG A 23 10.116 -19.177 3.595 1.00 3.01 N ATOM 321 NH2 ARG A 23 9.212 -21.245 4.040 1.00 14.42 N ATOM 0 H ARG A 23 4.306 -14.617 4.106 1.00 24.44 H new ATOM 0 HA ARG A 23 6.899 -15.441 2.935 1.00 31.42 H new ATOM 0 HB2 ARG A 23 4.233 -16.811 2.618 1.00 25.44 H new ATOM 0 HB3 ARG A 23 5.552 -16.974 1.475 1.00 25.44 H new ATOM 0 HG2 ARG A 23 5.712 -17.739 4.416 1.00 41.42 H new ATOM 0 HG3 ARG A 23 5.381 -18.860 3.111 1.00 41.42 H new ATOM 0 HD2 ARG A 23 7.664 -17.977 2.104 1.00 70.41 H new ATOM 0 HD3 ARG A 23 7.967 -17.401 3.731 1.00 70.41 H new ATOM 0 HE ARG A 23 7.051 -20.153 3.726 1.00 33.51 H new ATOM 0 HH11 ARG A 23 9.997 -18.193 3.354 1.00 3.01 H new ATOM 0 HH12 ARG A 23 11.052 -19.559 3.732 1.00 3.01 H new ATOM 0 HH21 ARG A 23 8.399 -21.852 4.142 1.00 14.42 H new ATOM 0 HH22 ARG A 23 10.150 -21.622 4.176 1.00 14.42 H new ATOM 332 N ILE A 24 6.041 -13.194 1.835 1.00 41.30 N ATOM 333 CA ILE A 24 5.934 -12.211 0.772 1.00 54.24 C ATOM 334 C ILE A 24 7.326 -11.623 0.500 1.00 31.33 C ATOM 335 O ILE A 24 8.241 -11.777 1.321 1.00 24.53 O ATOM 336 CB ILE A 24 4.848 -11.199 1.170 1.00 65.43 C ATOM 337 CG1 ILE A 24 4.216 -10.450 -0.020 1.00 30.51 C ATOM 338 CG2 ILE A 24 5.331 -10.183 2.217 1.00 43.04 C ATOM 339 CD1 ILE A 24 3.617 -11.339 -1.116 1.00 11.04 C ATOM 0 H ILE A 24 6.684 -12.916 2.577 1.00 41.30 H new ATOM 0 HA ILE A 24 5.614 -12.637 -0.179 1.00 54.24 H new ATOM 0 HB ILE A 24 4.071 -11.820 1.615 1.00 65.43 H new ATOM 0 HG12 ILE A 24 3.433 -9.794 0.360 1.00 30.51 H new ATOM 0 HG13 ILE A 24 4.976 -9.811 -0.470 1.00 30.51 H new ATOM 0 HG21 ILE A 24 4.520 -9.495 2.458 1.00 43.04 H new ATOM 0 HG22 ILE A 24 5.640 -10.710 3.120 1.00 43.04 H new ATOM 0 HG23 ILE A 24 6.176 -9.622 1.817 1.00 43.04 H new ATOM 0 HD11 ILE A 24 3.200 -10.713 -1.905 1.00 11.04 H new ATOM 0 HD12 ILE A 24 4.396 -11.977 -1.533 1.00 11.04 H new ATOM 0 HD13 ILE A 24 2.829 -11.960 -0.690 1.00 11.04 H new ATOM 350 N ARG A 25 7.483 -10.934 -0.628 1.00 53.21 N ATOM 351 CA ARG A 25 8.659 -10.157 -1.020 1.00 31.45 C ATOM 352 C ARG A 25 8.221 -8.699 -1.150 1.00 11.31 C ATOM 353 O ARG A 25 7.061 -8.496 -1.490 1.00 61.21 O ATOM 354 CB ARG A 25 9.130 -10.617 -2.410 1.00 74.22 C ATOM 355 CG ARG A 25 10.486 -11.323 -2.447 1.00 33.52 C ATOM 356 CD ARG A 25 10.897 -11.375 -3.920 1.00 74.52 C ATOM 357 NE ARG A 25 12.281 -11.807 -4.106 1.00 61.10 N ATOM 358 CZ ARG A 25 12.865 -11.940 -5.298 1.00 62.50 C ATOM 359 NH1 ARG A 25 12.145 -11.812 -6.412 1.00 63.31 N ATOM 360 NH2 ARG A 25 14.166 -12.203 -5.365 1.00 62.51 N ATOM 0 H ARG A 25 6.749 -10.901 -1.336 1.00 53.21 H new ATOM 0 HA ARG A 25 9.456 -10.283 -0.287 1.00 31.45 H new ATOM 0 HB2 ARG A 25 8.379 -11.289 -2.824 1.00 74.22 H new ATOM 0 HB3 ARG A 25 9.175 -9.747 -3.065 1.00 74.22 H new ATOM 0 HG2 ARG A 25 11.224 -10.781 -1.855 1.00 33.52 H new ATOM 0 HG3 ARG A 25 10.415 -12.326 -2.027 1.00 33.52 H new ATOM 0 HD2 ARG A 25 10.234 -12.055 -4.454 1.00 74.52 H new ATOM 0 HD3 ARG A 25 10.766 -10.388 -4.364 1.00 74.52 H new ATOM 0 HE ARG A 25 12.833 -12.019 -3.275 1.00 61.10 H new ATOM 0 HH11 ARG A 25 11.146 -11.612 -6.354 1.00 63.31 H new ATOM 0 HH12 ARG A 25 12.592 -11.914 -7.323 1.00 63.31 H new ATOM 0 HH21 ARG A 25 14.711 -12.302 -4.509 1.00 62.51 H new ATOM 0 HH22 ARG A 25 14.619 -12.306 -6.273 1.00 62.51 H new ATOM 371 N PRO A 26 9.123 -7.708 -1.061 1.00 13.22 N ATOM 372 CA PRO A 26 8.766 -6.307 -1.277 1.00 51.44 C ATOM 373 C PRO A 26 8.146 -6.081 -2.659 1.00 63.50 C ATOM 374 O PRO A 26 7.011 -5.612 -2.762 1.00 74.10 O ATOM 375 CB PRO A 26 10.062 -5.518 -1.070 1.00 75.44 C ATOM 376 CG PRO A 26 11.187 -6.544 -1.203 1.00 53.21 C ATOM 377 CD PRO A 26 10.533 -7.836 -0.725 1.00 73.12 C ATOM 0 HA PRO A 26 7.996 -5.975 -0.581 1.00 51.44 H new ATOM 0 HB2 PRO A 26 10.163 -4.726 -1.812 1.00 75.44 H new ATOM 0 HB3 PRO A 26 10.079 -5.041 -0.090 1.00 75.44 H new ATOM 0 HG2 PRO A 26 11.538 -6.626 -2.232 1.00 53.21 H new ATOM 0 HG3 PRO A 26 12.050 -6.278 -0.592 1.00 53.21 H new ATOM 0 HD2 PRO A 26 10.975 -8.704 -1.214 1.00 73.12 H new ATOM 0 HD3 PRO A 26 10.670 -7.971 0.348 1.00 73.12 H new ATOM 382 N ARG A 27 8.852 -6.479 -3.722 1.00 54.21 N ATOM 383 CA ARG A 27 8.357 -6.320 -5.084 1.00 53.30 C ATOM 384 C ARG A 27 7.084 -7.134 -5.338 1.00 22.51 C ATOM 385 O ARG A 27 6.320 -6.767 -6.223 1.00 40.03 O ATOM 386 CB ARG A 27 9.478 -6.633 -6.092 1.00 31.12 C ATOM 387 CG ARG A 27 9.084 -6.412 -7.566 1.00 44.43 C ATOM 388 CD ARG A 27 10.169 -5.747 -8.418 1.00 11.04 C ATOM 389 NE ARG A 27 11.291 -6.646 -8.719 1.00 61.33 N ATOM 390 CZ ARG A 27 12.565 -6.282 -8.902 1.00 33.12 C ATOM 391 NH1 ARG A 27 12.981 -5.034 -8.704 1.00 54.11 N ATOM 392 NH2 ARG A 27 13.430 -7.210 -9.277 1.00 35.21 N ATOM 0 H ARG A 27 9.772 -6.915 -3.660 1.00 54.21 H new ATOM 0 HA ARG A 27 8.065 -5.279 -5.224 1.00 53.30 H new ATOM 0 HB2 ARG A 27 10.342 -6.010 -5.862 1.00 31.12 H new ATOM 0 HB3 ARG A 27 9.788 -7.670 -5.962 1.00 31.12 H new ATOM 0 HG2 ARG A 27 8.830 -7.375 -8.010 1.00 44.43 H new ATOM 0 HG3 ARG A 27 8.184 -5.798 -7.601 1.00 44.43 H new ATOM 0 HD2 ARG A 27 9.728 -5.399 -9.352 1.00 11.04 H new ATOM 0 HD3 ARG A 27 10.545 -4.867 -7.896 1.00 11.04 H new ATOM 0 HE ARG A 27 11.079 -7.641 -8.796 1.00 61.33 H new ATOM 0 HH11 ARG A 27 12.320 -4.318 -8.402 1.00 54.11 H new ATOM 0 HH12 ARG A 27 13.961 -4.793 -8.854 1.00 54.11 H new ATOM 0 HH21 ARG A 27 13.118 -8.171 -9.418 1.00 35.21 H new ATOM 0 HH22 ARG A 27 14.409 -6.965 -9.425 1.00 35.21 H new ATOM 403 N ASP A 28 6.797 -8.182 -4.562 1.00 15.11 N ATOM 404 CA ASP A 28 5.565 -8.944 -4.766 1.00 2.35 C ATOM 405 C ASP A 28 4.344 -8.118 -4.319 1.00 44.22 C ATOM 406 O ASP A 28 3.231 -8.416 -4.762 1.00 53.03 O ATOM 407 CB ASP A 28 5.600 -10.319 -4.069 1.00 74.41 C ATOM 408 CG ASP A 28 6.490 -11.385 -4.752 1.00 62.54 C ATOM 409 OD1 ASP A 28 7.370 -11.059 -5.587 1.00 31.55 O ATOM 410 OD2 ASP A 28 6.378 -12.581 -4.379 1.00 61.20 O ATOM 0 H ASP A 28 7.388 -8.517 -3.801 1.00 15.11 H new ATOM 0 HA ASP A 28 5.478 -9.144 -5.834 1.00 2.35 H new ATOM 0 HB2 ASP A 28 5.949 -10.180 -3.046 1.00 74.41 H new ATOM 0 HB3 ASP A 28 4.582 -10.704 -4.010 1.00 74.41 H new ATOM 414 N LEU A 29 4.510 -7.070 -3.491 1.00 3.23 N ATOM 415 CA LEU A 29 3.423 -6.126 -3.213 1.00 1.12 C ATOM 416 C LEU A 29 3.336 -5.067 -4.302 1.00 1.33 C ATOM 417 O LEU A 29 2.230 -4.688 -4.685 1.00 5.05 O ATOM 418 CB LEU A 29 3.549 -5.412 -1.852 1.00 73.50 C ATOM 419 CG LEU A 29 3.330 -6.260 -0.582 1.00 32.52 C ATOM 420 CD1 LEU A 29 2.437 -7.490 -0.779 1.00 12.42 C ATOM 421 CD2 LEU A 29 4.657 -6.716 0.013 1.00 31.52 C ATOM 0 H LEU A 29 5.383 -6.860 -3.007 1.00 3.23 H new ATOM 0 HA LEU A 29 2.519 -6.734 -3.186 1.00 1.12 H new ATOM 0 HB2 LEU A 29 4.544 -4.970 -1.794 1.00 73.50 H new ATOM 0 HB3 LEU A 29 2.833 -4.590 -1.836 1.00 73.50 H new ATOM 0 HG LEU A 29 2.808 -5.589 0.100 1.00 32.52 H new ATOM 0 HD11 LEU A 29 2.340 -8.024 0.166 1.00 12.42 H new ATOM 0 HD12 LEU A 29 1.451 -7.173 -1.120 1.00 12.42 H new ATOM 0 HD13 LEU A 29 2.884 -8.149 -1.524 1.00 12.42 H new ATOM 0 HD21 LEU A 29 4.470 -7.311 0.907 1.00 31.52 H new ATOM 0 HD22 LEU A 29 5.196 -7.319 -0.718 1.00 31.52 H new ATOM 0 HD23 LEU A 29 5.256 -5.844 0.277 1.00 31.52 H new ATOM 432 N GLU A 30 4.478 -4.565 -4.774 1.00 24.21 N ATOM 433 CA GLU A 30 4.491 -3.461 -5.728 1.00 43.23 C ATOM 434 C GLU A 30 3.955 -3.940 -7.090 1.00 71.11 C ATOM 435 O GLU A 30 3.188 -3.236 -7.753 1.00 53.44 O ATOM 436 CB GLU A 30 5.900 -2.830 -5.754 1.00 60.24 C ATOM 437 CG GLU A 30 6.866 -3.316 -6.837 1.00 44.30 C ATOM 438 CD GLU A 30 8.314 -2.851 -6.618 1.00 20.33 C ATOM 439 OE1 GLU A 30 8.801 -2.798 -5.465 1.00 51.20 O ATOM 440 OE2 GLU A 30 8.971 -2.476 -7.617 1.00 61.23 O ATOM 0 H GLU A 30 5.403 -4.906 -4.511 1.00 24.21 H new ATOM 0 HA GLU A 30 3.816 -2.660 -5.427 1.00 43.23 H new ATOM 0 HB2 GLU A 30 5.785 -1.752 -5.864 1.00 60.24 H new ATOM 0 HB3 GLU A 30 6.366 -3.004 -4.784 1.00 60.24 H new ATOM 0 HG2 GLU A 30 6.843 -4.405 -6.871 1.00 44.30 H new ATOM 0 HG3 GLU A 30 6.521 -2.960 -7.808 1.00 44.30 H new ATOM 445 N GLU A 31 4.293 -5.174 -7.478 1.00 34.21 N ATOM 446 CA GLU A 31 3.932 -5.759 -8.764 1.00 72.53 C ATOM 447 C GLU A 31 2.430 -5.955 -8.909 1.00 0.01 C ATOM 448 O GLU A 31 1.910 -5.934 -10.025 1.00 61.44 O ATOM 449 CB GLU A 31 4.657 -7.088 -8.983 1.00 63.42 C ATOM 450 CG GLU A 31 6.051 -6.822 -9.555 1.00 0.22 C ATOM 451 CD GLU A 31 6.011 -6.575 -11.067 1.00 44.40 C ATOM 452 OE1 GLU A 31 5.835 -5.415 -11.509 1.00 41.05 O ATOM 453 OE2 GLU A 31 6.147 -7.570 -11.823 1.00 61.31 O ATOM 0 H GLU A 31 4.838 -5.805 -6.890 1.00 34.21 H new ATOM 0 HA GLU A 31 4.248 -5.050 -9.529 1.00 72.53 H new ATOM 0 HB2 GLU A 31 4.737 -7.630 -8.041 1.00 63.42 H new ATOM 0 HB3 GLU A 31 4.086 -7.717 -9.666 1.00 63.42 H new ATOM 0 HG2 GLU A 31 6.488 -5.957 -9.057 1.00 0.22 H new ATOM 0 HG3 GLU A 31 6.699 -7.673 -9.343 1.00 0.22 H new ATOM 458 N PHE A 32 1.737 -6.117 -7.783 1.00 31.13 N ATOM 459 CA PHE A 32 0.290 -6.290 -7.728 1.00 14.41 C ATOM 460 C PHE A 32 -0.485 -5.050 -8.165 1.00 31.53 C ATOM 461 O PHE A 32 -1.675 -5.151 -8.466 1.00 62.55 O ATOM 462 CB PHE A 32 -0.107 -6.648 -6.302 1.00 22.44 C ATOM 463 CG PHE A 32 -1.506 -7.221 -6.183 1.00 53.32 C ATOM 464 CD1 PHE A 32 -1.875 -8.344 -6.949 1.00 12.05 C ATOM 465 CD2 PHE A 32 -2.443 -6.637 -5.313 1.00 23.44 C ATOM 466 CE1 PHE A 32 -3.170 -8.874 -6.850 1.00 22.55 C ATOM 467 CE2 PHE A 32 -3.705 -7.225 -5.150 1.00 45.10 C ATOM 468 CZ PHE A 32 -4.081 -8.333 -5.928 1.00 22.44 C ATOM 0 H PHE A 32 2.178 -6.132 -6.863 1.00 31.13 H new ATOM 0 HA PHE A 32 0.034 -7.086 -8.428 1.00 14.41 H new ATOM 0 HB2 PHE A 32 0.607 -7.371 -5.906 1.00 22.44 H new ATOM 0 HB3 PHE A 32 -0.035 -5.756 -5.680 1.00 22.44 H new ATOM 0 HD1 PHE A 32 -1.158 -8.799 -7.616 1.00 12.05 H new ATOM 0 HD2 PHE A 32 -2.191 -5.737 -4.771 1.00 23.44 H new ATOM 0 HE1 PHE A 32 -3.466 -9.698 -7.482 1.00 22.55 H new ATOM 0 HE2 PHE A 32 -4.393 -6.823 -4.421 1.00 45.10 H new ATOM 0 HZ PHE A 32 -5.064 -8.766 -5.818 1.00 22.44 H new ATOM 477 N PHE A 33 0.170 -3.891 -8.214 1.00 31.11 N ATOM 478 CA PHE A 33 -0.408 -2.661 -8.749 1.00 63.12 C ATOM 479 C PHE A 33 0.311 -2.221 -10.027 1.00 51.23 C ATOM 480 O PHE A 33 -0.310 -1.623 -10.905 1.00 72.41 O ATOM 481 CB PHE A 33 -0.385 -1.555 -7.694 1.00 70.15 C ATOM 482 CG PHE A 33 -0.765 -1.947 -6.279 1.00 25.10 C ATOM 483 CD1 PHE A 33 -1.973 -2.622 -6.013 1.00 42.01 C ATOM 484 CD2 PHE A 33 0.094 -1.609 -5.218 1.00 5.34 C ATOM 485 CE1 PHE A 33 -2.298 -2.977 -4.692 1.00 12.42 C ATOM 486 CE2 PHE A 33 -0.229 -1.972 -3.903 1.00 44.01 C ATOM 487 CZ PHE A 33 -1.419 -2.663 -3.644 1.00 63.13 C ATOM 0 H PHE A 33 1.127 -3.779 -7.880 1.00 31.11 H new ATOM 0 HA PHE A 33 -1.447 -2.860 -9.011 1.00 63.12 H new ATOM 0 HB2 PHE A 33 0.618 -1.130 -7.670 1.00 70.15 H new ATOM 0 HB3 PHE A 33 -1.059 -0.762 -8.019 1.00 70.15 H new ATOM 0 HD1 PHE A 33 -2.647 -2.866 -6.821 1.00 42.01 H new ATOM 0 HD2 PHE A 33 1.007 -1.067 -5.417 1.00 5.34 H new ATOM 0 HE1 PHE A 33 -3.224 -3.492 -4.484 1.00 12.42 H new ATOM 0 HE2 PHE A 33 0.438 -1.719 -3.092 1.00 44.01 H new ATOM 0 HZ PHE A 33 -1.662 -2.956 -2.633 1.00 63.13 H new ATOM 496 N SER A 34 1.584 -2.600 -10.180 1.00 11.22 N ATOM 497 CA SER A 34 2.377 -2.523 -11.407 1.00 62.14 C ATOM 498 C SER A 34 1.677 -3.220 -12.590 1.00 23.54 C ATOM 499 O SER A 34 1.972 -2.942 -13.755 1.00 51.25 O ATOM 500 CB SER A 34 3.702 -3.214 -11.096 1.00 22.14 C ATOM 501 OG SER A 34 4.771 -2.953 -11.966 1.00 24.44 O ATOM 0 H SER A 34 2.118 -2.991 -9.404 1.00 11.22 H new ATOM 0 HA SER A 34 2.516 -1.484 -11.705 1.00 62.14 H new ATOM 0 HB2 SER A 34 4.006 -2.928 -10.089 1.00 22.14 H new ATOM 0 HB3 SER A 34 3.529 -4.290 -11.083 1.00 22.14 H new ATOM 0 HG SER A 34 5.373 -3.726 -11.986 1.00 24.44 H new ATOM 506 N THR A 35 0.705 -4.094 -12.301 1.00 42.34 N ATOM 507 CA THR A 35 -0.210 -4.688 -13.263 1.00 0.44 C ATOM 508 C THR A 35 -0.780 -3.627 -14.211 1.00 31.10 C ATOM 509 O THR A 35 -0.874 -3.863 -15.412 1.00 53.04 O ATOM 510 CB THR A 35 -1.355 -5.381 -12.498 1.00 22.34 C ATOM 511 OG1 THR A 35 -1.944 -4.489 -11.567 1.00 71.14 O ATOM 512 CG2 THR A 35 -0.900 -6.588 -11.680 1.00 74.42 C ATOM 0 H THR A 35 0.534 -4.415 -11.348 1.00 42.34 H new ATOM 0 HA THR A 35 0.333 -5.416 -13.866 1.00 0.44 H new ATOM 0 HB THR A 35 -2.051 -5.702 -13.273 1.00 22.34 H new ATOM 0 HG1 THR A 35 -1.772 -4.806 -10.656 1.00 71.14 H new ATOM 0 HG21 THR A 35 -1.758 -7.025 -11.169 1.00 74.42 H new ATOM 0 HG22 THR A 35 -0.456 -7.330 -12.343 1.00 74.42 H new ATOM 0 HG23 THR A 35 -0.162 -6.271 -10.944 1.00 74.42 H new ATOM 520 N VAL A 36 -1.140 -2.461 -13.667 1.00 0.10 N ATOM 521 CA VAL A 36 -1.869 -1.389 -14.335 1.00 0.40 C ATOM 522 C VAL A 36 -1.452 -0.050 -13.696 1.00 0.11 C ATOM 523 O VAL A 36 -2.294 0.772 -13.317 1.00 1.11 O ATOM 524 CB VAL A 36 -3.395 -1.668 -14.276 1.00 60.11 C ATOM 525 CG1 VAL A 36 -3.839 -2.653 -15.360 1.00 55.02 C ATOM 526 CG2 VAL A 36 -3.879 -2.203 -12.914 1.00 42.02 C ATOM 0 H VAL A 36 -0.917 -2.232 -12.698 1.00 0.10 H new ATOM 0 HA VAL A 36 -1.622 -1.336 -15.395 1.00 0.40 H new ATOM 0 HB VAL A 36 -3.851 -0.692 -14.441 1.00 60.11 H new ATOM 0 HG11 VAL A 36 -4.913 -2.820 -15.282 1.00 55.02 H new ATOM 0 HG12 VAL A 36 -3.606 -2.242 -16.342 1.00 55.02 H new ATOM 0 HG13 VAL A 36 -3.315 -3.599 -15.229 1.00 55.02 H new ATOM 0 HG21 VAL A 36 -4.955 -2.373 -12.952 1.00 42.02 H new ATOM 0 HG22 VAL A 36 -3.371 -3.141 -12.690 1.00 42.02 H new ATOM 0 HG23 VAL A 36 -3.654 -1.474 -12.136 1.00 42.02 H new ATOM 536 N GLY A 37 -0.148 0.156 -13.506 1.00 55.45 N ATOM 537 CA GLY A 37 0.404 1.279 -12.767 1.00 63.32 C ATOM 538 C GLY A 37 1.928 1.249 -12.792 1.00 61.13 C ATOM 539 O GLY A 37 2.523 0.310 -13.323 1.00 4.30 O ATOM 0 H GLY A 37 0.567 -0.472 -13.873 1.00 55.45 H new ATOM 0 HA2 GLY A 37 0.047 2.214 -13.199 1.00 63.32 H new ATOM 0 HA3 GLY A 37 0.052 1.249 -11.736 1.00 63.32 H new ATOM 543 N LYS A 38 2.570 2.248 -12.184 1.00 11.12 N ATOM 544 CA LYS A 38 4.001 2.284 -11.903 1.00 32.31 C ATOM 545 C LYS A 38 4.185 2.839 -10.501 1.00 35.40 C ATOM 546 O LYS A 38 3.610 3.871 -10.155 1.00 62.31 O ATOM 547 CB LYS A 38 4.717 3.175 -12.928 1.00 34.11 C ATOM 548 CG LYS A 38 6.236 3.250 -12.703 1.00 71.44 C ATOM 549 CD LYS A 38 6.844 4.298 -13.640 1.00 11.34 C ATOM 550 CE LYS A 38 8.338 4.552 -13.406 1.00 74.11 C ATOM 551 NZ LYS A 38 9.182 3.396 -13.767 1.00 34.14 N ATOM 0 H LYS A 38 2.086 3.086 -11.862 1.00 11.12 H new ATOM 0 HA LYS A 38 4.428 1.284 -11.971 1.00 32.31 H new ATOM 0 HB2 LYS A 38 4.522 2.794 -13.931 1.00 34.11 H new ATOM 0 HB3 LYS A 38 4.299 4.180 -12.882 1.00 34.11 H new ATOM 0 HG2 LYS A 38 6.448 3.509 -11.666 1.00 71.44 H new ATOM 0 HG3 LYS A 38 6.689 2.276 -12.887 1.00 71.44 H new ATOM 0 HD2 LYS A 38 6.698 3.977 -14.671 1.00 11.34 H new ATOM 0 HD3 LYS A 38 6.303 5.236 -13.519 1.00 11.34 H new ATOM 0 HE2 LYS A 38 8.649 5.419 -13.989 1.00 74.11 H new ATOM 0 HE3 LYS A 38 8.499 4.799 -12.357 1.00 74.11 H new ATOM 0 HZ1 LYS A 38 10.180 3.626 -13.588 1.00 34.14 H new ATOM 0 HZ2 LYS A 38 8.908 2.573 -13.193 1.00 34.14 H new ATOM 0 HZ3 LYS A 38 9.053 3.174 -14.775 1.00 34.14 H new ATOM 561 N VAL A 39 5.032 2.192 -9.713 1.00 35.31 N ATOM 562 CA VAL A 39 5.329 2.548 -8.341 1.00 20.11 C ATOM 563 C VAL A 39 6.806 2.897 -8.213 1.00 43.22 C ATOM 564 O VAL A 39 7.646 2.392 -8.957 1.00 52.22 O ATOM 565 CB VAL A 39 4.718 1.473 -7.412 1.00 43.05 C ATOM 566 CG1 VAL A 39 4.939 0.027 -7.836 1.00 61.43 C ATOM 567 CG2 VAL A 39 5.131 1.566 -5.939 1.00 60.11 C ATOM 0 H VAL A 39 5.550 1.372 -10.029 1.00 35.31 H new ATOM 0 HA VAL A 39 4.852 3.467 -8.002 1.00 20.11 H new ATOM 0 HB VAL A 39 3.663 1.725 -7.519 1.00 43.05 H new ATOM 0 HG11 VAL A 39 4.469 -0.640 -7.113 1.00 61.43 H new ATOM 0 HG12 VAL A 39 4.498 -0.135 -8.820 1.00 61.43 H new ATOM 0 HG13 VAL A 39 6.008 -0.180 -7.879 1.00 61.43 H new ATOM 0 HG21 VAL A 39 4.648 0.768 -5.375 1.00 60.11 H new ATOM 0 HG22 VAL A 39 6.213 1.465 -5.857 1.00 60.11 H new ATOM 0 HG23 VAL A 39 4.826 2.531 -5.536 1.00 60.11 H new ATOM 577 N ARG A 40 7.092 3.891 -7.370 1.00 0.14 N ATOM 578 CA ARG A 40 8.399 4.478 -7.143 1.00 41.34 C ATOM 579 C ARG A 40 9.199 3.534 -6.258 1.00 32.32 C ATOM 580 O ARG A 40 10.334 3.224 -6.614 1.00 62.22 O ATOM 581 CB ARG A 40 8.225 5.870 -6.538 1.00 62.24 C ATOM 582 CG ARG A 40 9.556 6.609 -6.400 1.00 62.44 C ATOM 583 CD ARG A 40 9.238 8.052 -5.989 1.00 13.34 C ATOM 584 NE ARG A 40 10.192 8.563 -4.987 1.00 3.31 N ATOM 585 CZ ARG A 40 10.271 8.124 -3.722 1.00 32.53 C ATOM 586 NH1 ARG A 40 9.257 7.455 -3.178 1.00 35.22 N ATOM 587 NH2 ARG A 40 11.375 8.332 -3.019 1.00 55.03 N ATOM 0 H ARG A 40 6.370 4.328 -6.797 1.00 0.14 H new ATOM 0 HA ARG A 40 8.953 4.607 -8.073 1.00 41.34 H new ATOM 0 HB2 ARG A 40 7.550 6.454 -7.163 1.00 62.24 H new ATOM 0 HB3 ARG A 40 7.756 5.783 -5.558 1.00 62.24 H new ATOM 0 HG2 ARG A 40 10.187 6.127 -5.653 1.00 62.44 H new ATOM 0 HG3 ARG A 40 10.105 6.590 -7.341 1.00 62.44 H new ATOM 0 HD2 ARG A 40 9.259 8.693 -6.870 1.00 13.34 H new ATOM 0 HD3 ARG A 40 8.227 8.100 -5.585 1.00 13.34 H new ATOM 0 HE ARG A 40 10.835 9.300 -5.276 1.00 3.31 H new ATOM 0 HH11 ARG A 40 8.414 7.274 -3.724 1.00 35.22 H new ATOM 0 HH12 ARG A 40 9.323 7.123 -2.216 1.00 35.22 H new ATOM 0 HH21 ARG A 40 12.162 8.825 -3.440 1.00 55.03 H new ATOM 0 HH22 ARG A 40 11.437 7.999 -2.057 1.00 55.03 H new ATOM 598 N ASP A 41 8.635 3.086 -5.133 1.00 12.00 N ATOM 599 CA ASP A 41 9.243 2.052 -4.289 1.00 33.32 C ATOM 600 C ASP A 41 8.247 1.548 -3.236 1.00 75.22 C ATOM 601 O ASP A 41 7.107 2.011 -3.180 1.00 74.14 O ATOM 602 CB ASP A 41 10.532 2.553 -3.610 1.00 40.45 C ATOM 603 CG ASP A 41 11.607 1.466 -3.672 1.00 0.33 C ATOM 604 OD1 ASP A 41 11.326 0.277 -3.386 1.00 13.22 O ATOM 605 OD2 ASP A 41 12.764 1.800 -4.012 1.00 74.31 O ATOM 0 H ASP A 41 7.742 3.430 -4.780 1.00 12.00 H new ATOM 0 HA ASP A 41 9.512 1.221 -4.942 1.00 33.32 H new ATOM 0 HB2 ASP A 41 10.887 3.457 -4.105 1.00 40.45 H new ATOM 0 HB3 ASP A 41 10.328 2.817 -2.572 1.00 40.45 H new ATOM 609 N VAL A 42 8.666 0.623 -2.370 1.00 42.01 N ATOM 610 CA VAL A 42 7.896 0.116 -1.234 1.00 44.04 C ATOM 611 C VAL A 42 8.756 0.192 0.023 1.00 24.33 C ATOM 612 O VAL A 42 9.981 0.097 -0.049 1.00 40.32 O ATOM 613 CB VAL A 42 7.409 -1.321 -1.530 1.00 13.42 C ATOM 614 CG1 VAL A 42 6.654 -1.970 -0.356 1.00 13.22 C ATOM 615 CG2 VAL A 42 6.482 -1.288 -2.748 1.00 75.12 C ATOM 0 H VAL A 42 9.587 0.190 -2.444 1.00 42.01 H new ATOM 0 HA VAL A 42 7.008 0.727 -1.069 1.00 44.04 H new ATOM 0 HB VAL A 42 8.299 -1.924 -1.711 1.00 13.42 H new ATOM 0 HG11 VAL A 42 6.342 -2.976 -0.636 1.00 13.22 H new ATOM 0 HG12 VAL A 42 7.309 -2.021 0.514 1.00 13.22 H new ATOM 0 HG13 VAL A 42 5.775 -1.372 -0.114 1.00 13.22 H new ATOM 0 HG21 VAL A 42 6.132 -2.297 -2.966 1.00 75.12 H new ATOM 0 HG22 VAL A 42 5.627 -0.645 -2.537 1.00 75.12 H new ATOM 0 HG23 VAL A 42 7.026 -0.898 -3.609 1.00 75.12 H new ATOM 625 N ARG A 43 8.098 0.324 1.177 1.00 11.41 N ATOM 626 CA ARG A 43 8.682 0.361 2.504 1.00 34.14 C ATOM 627 C ARG A 43 7.976 -0.717 3.328 1.00 52.11 C ATOM 628 O ARG A 43 6.824 -0.515 3.706 1.00 45.20 O ATOM 629 CB ARG A 43 8.491 1.780 3.068 1.00 13.42 C ATOM 630 CG ARG A 43 9.351 2.066 4.303 1.00 1.02 C ATOM 631 CD ARG A 43 10.815 2.329 3.926 1.00 63.44 C ATOM 632 NE ARG A 43 11.577 2.729 5.113 1.00 53.04 N ATOM 633 CZ ARG A 43 12.585 3.605 5.164 1.00 71.41 C ATOM 634 NH1 ARG A 43 13.146 4.106 4.069 1.00 31.51 N ATOM 635 NH2 ARG A 43 13.055 3.954 6.349 1.00 64.40 N ATOM 0 H ARG A 43 7.082 0.413 1.203 1.00 11.41 H new ATOM 0 HA ARG A 43 9.752 0.153 2.515 1.00 34.14 H new ATOM 0 HB2 ARG A 43 8.731 2.507 2.292 1.00 13.42 H new ATOM 0 HB3 ARG A 43 7.441 1.922 3.325 1.00 13.42 H new ATOM 0 HG2 ARG A 43 8.951 2.930 4.833 1.00 1.02 H new ATOM 0 HG3 ARG A 43 9.298 1.219 4.988 1.00 1.02 H new ATOM 0 HD2 ARG A 43 11.253 1.432 3.489 1.00 63.44 H new ATOM 0 HD3 ARG A 43 10.869 3.111 3.169 1.00 63.44 H new ATOM 0 HE ARG A 43 11.309 2.292 5.995 1.00 53.04 H new ATOM 0 HH11 ARG A 43 12.809 3.824 3.149 1.00 31.51 H new ATOM 0 HH12 ARG A 43 13.914 4.773 4.149 1.00 31.51 H new ATOM 0 HH21 ARG A 43 12.649 3.557 7.196 1.00 64.40 H new ATOM 0 HH22 ARG A 43 13.824 4.621 6.416 1.00 64.40 H new ATOM 646 N MET A 44 8.594 -1.882 3.533 1.00 5.34 N ATOM 647 CA MET A 44 7.993 -3.020 4.241 1.00 24.35 C ATOM 648 C MET A 44 8.397 -3.018 5.712 1.00 74.54 C ATOM 649 O MET A 44 9.561 -2.740 6.017 1.00 23.35 O ATOM 650 CB MET A 44 8.495 -4.336 3.642 1.00 64.50 C ATOM 651 CG MET A 44 7.852 -4.710 2.304 1.00 11.01 C ATOM 652 SD MET A 44 7.567 -6.496 2.152 1.00 25.34 S ATOM 653 CE MET A 44 6.118 -6.657 3.234 1.00 70.32 C ATOM 0 H MET A 44 9.543 -2.067 3.207 1.00 5.34 H new ATOM 0 HA MET A 44 6.911 -2.930 4.143 1.00 24.35 H new ATOM 0 HB2 MET A 44 9.575 -4.270 3.506 1.00 64.50 H new ATOM 0 HB3 MET A 44 8.312 -5.139 4.356 1.00 64.50 H new ATOM 0 HG2 MET A 44 6.904 -4.183 2.199 1.00 11.01 H new ATOM 0 HG3 MET A 44 8.494 -4.376 1.489 1.00 11.01 H new ATOM 0 HE1 MET A 44 5.907 -7.713 3.405 1.00 70.32 H new ATOM 0 HE2 MET A 44 6.320 -6.168 4.187 1.00 70.32 H new ATOM 0 HE3 MET A 44 5.256 -6.187 2.760 1.00 70.32 H new ATOM 661 N ILE A 45 7.493 -3.383 6.634 1.00 24.31 N ATOM 662 CA ILE A 45 7.757 -3.420 8.066 1.00 72.40 C ATOM 663 C ILE A 45 7.059 -4.596 8.788 1.00 71.40 C ATOM 664 O ILE A 45 6.398 -4.429 9.817 1.00 11.21 O ATOM 665 CB ILE A 45 7.421 -2.068 8.738 1.00 65.52 C ATOM 666 CG1 ILE A 45 7.668 -0.780 7.932 1.00 12.31 C ATOM 667 CG2 ILE A 45 8.325 -2.020 9.981 1.00 1.32 C ATOM 668 CD1 ILE A 45 6.539 -0.415 6.968 1.00 61.24 C ATOM 0 H ILE A 45 6.543 -3.664 6.392 1.00 24.31 H new ATOM 0 HA ILE A 45 8.828 -3.595 8.169 1.00 72.40 H new ATOM 0 HB ILE A 45 6.344 -2.061 8.905 1.00 65.52 H new ATOM 0 HG12 ILE A 45 7.818 0.046 8.627 1.00 12.31 H new ATOM 0 HG13 ILE A 45 8.592 -0.892 7.365 1.00 12.31 H new ATOM 0 HG21 ILE A 45 8.152 -1.089 10.521 1.00 1.32 H new ATOM 0 HG22 ILE A 45 8.095 -2.865 10.631 1.00 1.32 H new ATOM 0 HG23 ILE A 45 9.369 -2.072 9.674 1.00 1.32 H new ATOM 0 HD11 ILE A 45 6.794 0.504 6.441 1.00 61.24 H new ATOM 0 HD12 ILE A 45 6.402 -1.221 6.247 1.00 61.24 H new ATOM 0 HD13 ILE A 45 5.616 -0.268 7.528 1.00 61.24 H new ATOM 814 N GLY A 55 3.095 -7.381 9.605 1.00 4.02 N ATOM 815 CA GLY A 55 2.566 -7.599 8.264 1.00 74.13 C ATOM 816 C GLY A 55 2.000 -6.300 7.725 1.00 22.23 C ATOM 817 O GLY A 55 0.785 -6.180 7.558 1.00 70.10 O ATOM 0 HA2 GLY A 55 3.354 -7.965 7.606 1.00 74.13 H new ATOM 0 HA3 GLY A 55 1.790 -8.364 8.288 1.00 74.13 H new ATOM 821 N ILE A 56 2.876 -5.321 7.502 1.00 34.31 N ATOM 822 CA ILE A 56 2.527 -3.975 7.070 1.00 70.30 C ATOM 823 C ILE A 56 3.553 -3.515 6.036 1.00 72.23 C ATOM 824 O ILE A 56 4.730 -3.882 6.136 1.00 5.14 O ATOM 825 CB ILE A 56 2.473 -3.017 8.287 1.00 52.32 C ATOM 826 CG1 ILE A 56 3.679 -3.109 9.232 1.00 73.21 C ATOM 827 CG2 ILE A 56 1.163 -3.255 9.068 1.00 53.04 C ATOM 828 CD1 ILE A 56 3.849 -1.844 10.086 1.00 3.32 C ATOM 0 H ILE A 56 3.881 -5.451 7.622 1.00 34.31 H new ATOM 0 HA ILE A 56 1.538 -3.969 6.613 1.00 70.30 H new ATOM 0 HB ILE A 56 2.507 -2.007 7.879 1.00 52.32 H new ATOM 0 HG12 ILE A 56 3.560 -3.973 9.886 1.00 73.21 H new ATOM 0 HG13 ILE A 56 4.584 -3.274 8.647 1.00 73.21 H new ATOM 0 HG21 ILE A 56 1.123 -2.582 9.925 1.00 53.04 H new ATOM 0 HG22 ILE A 56 0.311 -3.064 8.416 1.00 53.04 H new ATOM 0 HG23 ILE A 56 1.129 -4.288 9.416 1.00 53.04 H new ATOM 0 HD11 ILE A 56 4.715 -1.959 10.738 1.00 3.32 H new ATOM 0 HD12 ILE A 56 3.996 -0.982 9.435 1.00 3.32 H new ATOM 0 HD13 ILE A 56 2.956 -1.692 10.693 1.00 3.32 H new ATOM 839 N ALA A 57 3.126 -2.716 5.060 1.00 42.02 N ATOM 840 CA ALA A 57 4.000 -2.001 4.142 1.00 32.43 C ATOM 841 C ALA A 57 3.307 -0.717 3.699 1.00 2.03 C ATOM 842 O ALA A 57 2.082 -0.625 3.750 1.00 44.04 O ATOM 843 CB ALA A 57 4.323 -2.871 2.921 1.00 32.44 C ATOM 0 H ALA A 57 2.136 -2.546 4.884 1.00 42.02 H new ATOM 0 HA ALA A 57 4.936 -1.761 4.647 1.00 32.43 H new ATOM 0 HB1 ALA A 57 4.977 -2.321 2.245 1.00 32.44 H new ATOM 0 HB2 ALA A 57 4.822 -3.784 3.246 1.00 32.44 H new ATOM 0 HB3 ALA A 57 3.399 -3.128 2.403 1.00 32.44 H new ATOM 849 N TYR A 58 4.078 0.249 3.217 1.00 50.20 N ATOM 850 CA TYR A 58 3.586 1.457 2.577 1.00 44.04 C ATOM 851 C TYR A 58 4.231 1.514 1.196 1.00 34.51 C ATOM 852 O TYR A 58 5.447 1.353 1.077 1.00 13.13 O ATOM 853 CB TYR A 58 3.918 2.676 3.444 1.00 4.05 C ATOM 854 CG TYR A 58 3.503 2.546 4.895 1.00 70.32 C ATOM 855 CD1 TYR A 58 2.182 2.824 5.280 1.00 30.41 C ATOM 856 CD2 TYR A 58 4.446 2.166 5.864 1.00 5.44 C ATOM 857 CE1 TYR A 58 1.793 2.712 6.627 1.00 44.11 C ATOM 858 CE2 TYR A 58 4.066 2.052 7.212 1.00 44.04 C ATOM 859 CZ TYR A 58 2.732 2.307 7.601 1.00 22.55 C ATOM 860 OH TYR A 58 2.374 2.167 8.909 1.00 44.20 O ATOM 0 H TYR A 58 5.096 0.210 3.263 1.00 50.20 H new ATOM 0 HA TYR A 58 2.502 1.455 2.465 1.00 44.04 H new ATOM 0 HB2 TYR A 58 4.992 2.855 3.401 1.00 4.05 H new ATOM 0 HB3 TYR A 58 3.432 3.553 3.017 1.00 4.05 H new ATOM 0 HD1 TYR A 58 1.459 3.126 4.537 1.00 30.41 H new ATOM 0 HD2 TYR A 58 5.465 1.961 5.572 1.00 5.44 H new ATOM 0 HE1 TYR A 58 0.777 2.936 6.916 1.00 44.11 H new ATOM 0 HE2 TYR A 58 4.797 1.768 7.954 1.00 44.04 H new ATOM 0 HH TYR A 58 3.152 1.880 9.432 1.00 44.20 H new ATOM 869 N VAL A 59 3.414 1.679 0.165 1.00 45.05 N ATOM 870 CA VAL A 59 3.778 1.514 -1.234 1.00 50.22 C ATOM 871 C VAL A 59 3.697 2.894 -1.876 1.00 45.14 C ATOM 872 O VAL A 59 2.620 3.491 -1.941 1.00 12.13 O ATOM 873 CB VAL A 59 2.822 0.467 -1.840 1.00 34.20 C ATOM 874 CG1 VAL A 59 2.945 0.321 -3.357 1.00 14.44 C ATOM 875 CG2 VAL A 59 2.985 -0.919 -1.190 1.00 34.35 C ATOM 0 H VAL A 59 2.436 1.943 0.287 1.00 45.05 H new ATOM 0 HA VAL A 59 4.790 1.142 -1.395 1.00 50.22 H new ATOM 0 HB VAL A 59 1.828 0.857 -1.622 1.00 34.20 H new ATOM 0 HG11 VAL A 59 2.241 -0.433 -3.708 1.00 14.44 H new ATOM 0 HG12 VAL A 59 2.722 1.276 -3.834 1.00 14.44 H new ATOM 0 HG13 VAL A 59 3.960 0.017 -3.612 1.00 14.44 H new ATOM 0 HG21 VAL A 59 2.290 -1.621 -1.651 1.00 34.35 H new ATOM 0 HG22 VAL A 59 4.006 -1.271 -1.335 1.00 34.35 H new ATOM 0 HG23 VAL A 59 2.774 -0.848 -0.123 1.00 34.35 H new ATOM 885 N GLU A 60 4.844 3.444 -2.270 1.00 31.20 N ATOM 886 CA GLU A 60 4.983 4.794 -2.784 1.00 44.25 C ATOM 887 C GLU A 60 4.860 4.735 -4.307 1.00 72.13 C ATOM 888 O GLU A 60 5.845 4.468 -4.991 1.00 42.02 O ATOM 889 CB GLU A 60 6.338 5.401 -2.362 1.00 35.31 C ATOM 890 CG GLU A 60 6.553 5.423 -0.843 1.00 52.11 C ATOM 891 CD GLU A 60 7.748 6.291 -0.432 1.00 20.10 C ATOM 892 OE1 GLU A 60 8.908 5.995 -0.807 1.00 64.11 O ATOM 893 OE2 GLU A 60 7.555 7.263 0.329 1.00 12.11 O ATOM 0 H GLU A 60 5.730 2.939 -2.237 1.00 31.20 H new ATOM 0 HA GLU A 60 4.202 5.435 -2.374 1.00 44.25 H new ATOM 0 HB2 GLU A 60 7.143 4.831 -2.827 1.00 35.31 H new ATOM 0 HB3 GLU A 60 6.406 6.419 -2.745 1.00 35.31 H new ATOM 0 HG2 GLU A 60 5.652 5.797 -0.357 1.00 52.11 H new ATOM 0 HG3 GLU A 60 6.708 4.405 -0.486 1.00 52.11 H new ATOM 898 N PHE A 61 3.655 4.901 -4.855 1.00 14.00 N ATOM 899 CA PHE A 61 3.388 4.967 -6.289 1.00 42.23 C ATOM 900 C PHE A 61 4.194 6.068 -7.029 1.00 52.31 C ATOM 901 O PHE A 61 4.956 6.836 -6.432 1.00 31.11 O ATOM 902 CB PHE A 61 1.873 5.099 -6.522 1.00 34.31 C ATOM 903 CG PHE A 61 1.256 3.932 -7.253 1.00 24.31 C ATOM 904 CD1 PHE A 61 0.788 2.820 -6.537 1.00 42.23 C ATOM 905 CD2 PHE A 61 1.116 3.975 -8.650 1.00 62.44 C ATOM 906 CE1 PHE A 61 0.181 1.754 -7.221 1.00 73.11 C ATOM 907 CE2 PHE A 61 0.546 2.895 -9.336 1.00 14.32 C ATOM 908 CZ PHE A 61 0.068 1.783 -8.625 1.00 31.31 C ATOM 0 H PHE A 61 2.810 4.996 -4.291 1.00 14.00 H new ATOM 0 HA PHE A 61 3.740 4.034 -6.729 1.00 42.23 H new ATOM 0 HB2 PHE A 61 1.377 5.213 -5.558 1.00 34.31 H new ATOM 0 HB3 PHE A 61 1.682 6.010 -7.089 1.00 34.31 H new ATOM 0 HD1 PHE A 61 0.894 2.784 -5.463 1.00 42.23 H new ATOM 0 HD2 PHE A 61 1.449 4.844 -9.197 1.00 62.44 H new ATOM 0 HE1 PHE A 61 -0.201 0.908 -6.668 1.00 73.11 H new ATOM 0 HE2 PHE A 61 0.474 2.918 -10.413 1.00 14.32 H new ATOM 0 HZ PHE A 61 -0.384 0.955 -9.151 1.00 31.31 H new ATOM 917 N VAL A 62 4.044 6.157 -8.359 1.00 51.21 N ATOM 918 CA VAL A 62 4.551 7.289 -9.139 1.00 22.11 C ATOM 919 C VAL A 62 3.477 8.383 -9.282 1.00 4.42 C ATOM 920 O VAL A 62 3.839 9.560 -9.284 1.00 62.41 O ATOM 921 CB VAL A 62 5.162 6.808 -10.479 1.00 72.31 C ATOM 922 CG1 VAL A 62 5.534 7.966 -11.417 1.00 20.14 C ATOM 923 CG2 VAL A 62 6.443 6.012 -10.187 1.00 44.15 C ATOM 0 H VAL A 62 3.570 5.449 -8.919 1.00 51.21 H new ATOM 0 HA VAL A 62 5.373 7.761 -8.600 1.00 22.11 H new ATOM 0 HB VAL A 62 4.404 6.200 -10.973 1.00 72.31 H new ATOM 0 HG11 VAL A 62 5.957 7.566 -12.339 1.00 20.14 H new ATOM 0 HG12 VAL A 62 4.642 8.547 -11.649 1.00 20.14 H new ATOM 0 HG13 VAL A 62 6.268 8.608 -10.930 1.00 20.14 H new ATOM 0 HG21 VAL A 62 6.880 5.669 -11.125 1.00 44.15 H new ATOM 0 HG22 VAL A 62 7.157 6.650 -9.666 1.00 44.15 H new ATOM 0 HG23 VAL A 62 6.202 5.151 -9.563 1.00 44.15 H new ATOM 933 N ASP A 63 2.182 8.060 -9.318 1.00 62.34 N ATOM 934 CA ASP A 63 1.091 9.040 -9.444 1.00 43.32 C ATOM 935 C ASP A 63 0.202 9.007 -8.210 1.00 32.11 C ATOM 936 O ASP A 63 0.409 8.158 -7.345 1.00 64.15 O ATOM 937 CB ASP A 63 0.259 8.736 -10.702 1.00 61.44 C ATOM 938 CG ASP A 63 -0.692 9.877 -11.058 1.00 41.33 C ATOM 939 OD1 ASP A 63 -0.322 11.053 -10.877 1.00 1.32 O ATOM 940 OD2 ASP A 63 -1.812 9.628 -11.549 1.00 21.40 O ATOM 0 H ASP A 63 1.853 7.096 -9.260 1.00 62.34 H new ATOM 0 HA ASP A 63 1.523 10.037 -9.533 1.00 43.32 H new ATOM 0 HB2 ASP A 63 0.929 8.549 -11.541 1.00 61.44 H new ATOM 0 HB3 ASP A 63 -0.315 7.823 -10.543 1.00 61.44 H new ATOM 944 N VAL A 64 -0.788 9.889 -8.109 1.00 60.33 N ATOM 945 CA VAL A 64 -1.808 9.838 -7.065 1.00 23.20 C ATOM 946 C VAL A 64 -3.065 9.092 -7.549 1.00 53.21 C ATOM 947 O VAL A 64 -3.739 8.463 -6.740 1.00 44.44 O ATOM 948 CB VAL A 64 -2.064 11.275 -6.564 1.00 43.55 C ATOM 949 CG1 VAL A 64 -2.676 12.173 -7.641 1.00 10.10 C ATOM 950 CG2 VAL A 64 -2.909 11.319 -5.289 1.00 54.42 C ATOM 0 H VAL A 64 -0.906 10.668 -8.757 1.00 60.33 H new ATOM 0 HA VAL A 64 -1.464 9.254 -6.211 1.00 23.20 H new ATOM 0 HB VAL A 64 -1.078 11.671 -6.319 1.00 43.55 H new ATOM 0 HG11 VAL A 64 -2.835 13.172 -7.235 1.00 10.10 H new ATOM 0 HG12 VAL A 64 -1.999 12.232 -8.494 1.00 10.10 H new ATOM 0 HG13 VAL A 64 -3.630 11.756 -7.963 1.00 10.10 H new ATOM 0 HG21 VAL A 64 -3.055 12.355 -4.985 1.00 54.42 H new ATOM 0 HG22 VAL A 64 -3.877 10.856 -5.478 1.00 54.42 H new ATOM 0 HG23 VAL A 64 -2.397 10.777 -4.494 1.00 54.42 H new ATOM 960 N SER A 65 -3.368 9.066 -8.856 1.00 70.42 N ATOM 961 CA SER A 65 -4.650 8.533 -9.319 1.00 2.22 C ATOM 962 C SER A 65 -4.764 7.013 -9.083 1.00 45.11 C ATOM 963 O SER A 65 -5.877 6.495 -8.991 1.00 72.32 O ATOM 964 CB SER A 65 -4.844 8.923 -10.791 1.00 42.53 C ATOM 965 OG SER A 65 -6.172 8.730 -11.246 1.00 63.13 O ATOM 0 H SER A 65 -2.752 9.402 -9.596 1.00 70.42 H new ATOM 0 HA SER A 65 -5.458 8.972 -8.734 1.00 2.22 H new ATOM 0 HB2 SER A 65 -4.569 9.970 -10.923 1.00 42.53 H new ATOM 0 HB3 SER A 65 -4.165 8.335 -11.409 1.00 42.53 H new ATOM 0 HG SER A 65 -6.237 8.996 -12.187 1.00 63.13 H new ATOM 970 N SER A 66 -3.651 6.283 -8.944 1.00 62.35 N ATOM 971 CA SER A 66 -3.670 4.844 -8.664 1.00 65.24 C ATOM 972 C SER A 66 -3.888 4.499 -7.179 1.00 54.15 C ATOM 973 O SER A 66 -4.039 3.320 -6.858 1.00 42.22 O ATOM 974 CB SER A 66 -2.389 4.168 -9.167 1.00 33.21 C ATOM 975 OG SER A 66 -1.732 4.915 -10.182 1.00 74.34 O ATOM 0 H SER A 66 -2.712 6.674 -9.023 1.00 62.35 H new ATOM 0 HA SER A 66 -4.532 4.458 -9.207 1.00 65.24 H new ATOM 0 HB2 SER A 66 -1.707 4.025 -8.329 1.00 33.21 H new ATOM 0 HB3 SER A 66 -2.634 3.178 -9.552 1.00 33.21 H new ATOM 0 HG SER A 66 -0.787 4.659 -10.216 1.00 74.34 H new ATOM 980 N VAL A 67 -3.936 5.468 -6.262 1.00 50.04 N ATOM 981 CA VAL A 67 -4.237 5.240 -4.852 1.00 62.42 C ATOM 982 C VAL A 67 -5.589 4.506 -4.727 1.00 52.45 C ATOM 983 O VAL A 67 -5.606 3.393 -4.189 1.00 3.11 O ATOM 984 CB VAL A 67 -4.126 6.573 -4.076 1.00 30.30 C ATOM 985 CG1 VAL A 67 -4.598 6.450 -2.627 1.00 53.12 C ATOM 986 CG2 VAL A 67 -2.675 7.089 -4.032 1.00 23.40 C ATOM 0 H VAL A 67 -3.764 6.448 -6.485 1.00 50.04 H new ATOM 0 HA VAL A 67 -3.508 4.578 -4.385 1.00 62.42 H new ATOM 0 HB VAL A 67 -4.768 7.267 -4.618 1.00 30.30 H new ATOM 0 HG11 VAL A 67 -4.498 7.414 -2.129 1.00 53.12 H new ATOM 0 HG12 VAL A 67 -5.642 6.139 -2.610 1.00 53.12 H new ATOM 0 HG13 VAL A 67 -3.990 5.709 -2.108 1.00 53.12 H new ATOM 0 HG21 VAL A 67 -2.639 8.027 -3.478 1.00 23.40 H new ATOM 0 HG22 VAL A 67 -2.042 6.352 -3.539 1.00 23.40 H new ATOM 0 HG23 VAL A 67 -2.316 7.254 -5.048 1.00 23.40 H new ATOM 996 N PRO A 68 -6.710 5.010 -5.282 1.00 64.31 N ATOM 997 CA PRO A 68 -7.978 4.287 -5.261 1.00 10.44 C ATOM 998 C PRO A 68 -7.983 3.015 -6.118 1.00 54.11 C ATOM 999 O PRO A 68 -8.931 2.227 -6.014 1.00 72.05 O ATOM 1000 CB PRO A 68 -9.031 5.285 -5.733 1.00 5.30 C ATOM 1001 CG PRO A 68 -8.237 6.239 -6.623 1.00 1.42 C ATOM 1002 CD PRO A 68 -6.908 6.326 -5.876 1.00 12.42 C ATOM 0 HA PRO A 68 -8.178 3.922 -4.254 1.00 10.44 H new ATOM 0 HB2 PRO A 68 -9.832 4.793 -6.285 1.00 5.30 H new ATOM 0 HB3 PRO A 68 -9.494 5.807 -4.896 1.00 5.30 H new ATOM 0 HG2 PRO A 68 -8.114 5.849 -7.633 1.00 1.42 H new ATOM 0 HG3 PRO A 68 -8.720 7.212 -6.713 1.00 1.42 H new ATOM 0 HD2 PRO A 68 -6.092 6.578 -6.554 1.00 12.42 H new ATOM 0 HD3 PRO A 68 -6.938 7.102 -5.111 1.00 12.42 H new ATOM 1007 N LEU A 69 -6.970 2.767 -6.956 1.00 33.13 N ATOM 1008 CA LEU A 69 -6.767 1.470 -7.585 1.00 33.53 C ATOM 1009 C LEU A 69 -6.411 0.466 -6.500 1.00 31.12 C ATOM 1010 O LEU A 69 -7.162 -0.481 -6.320 1.00 13.23 O ATOM 1011 CB LEU A 69 -5.691 1.536 -8.672 1.00 73.34 C ATOM 1012 CG LEU A 69 -5.837 0.449 -9.744 1.00 74.22 C ATOM 1013 CD1 LEU A 69 -4.792 0.754 -10.817 1.00 65.51 C ATOM 1014 CD2 LEU A 69 -5.640 -0.974 -9.199 1.00 74.35 C ATOM 0 H LEU A 69 -6.271 3.464 -7.213 1.00 33.13 H new ATOM 0 HA LEU A 69 -7.683 1.156 -8.085 1.00 33.53 H new ATOM 0 HB2 LEU A 69 -5.729 2.515 -9.151 1.00 73.34 H new ATOM 0 HB3 LEU A 69 -4.709 1.447 -8.206 1.00 73.34 H new ATOM 0 HG LEU A 69 -6.853 0.469 -10.138 1.00 74.22 H new ATOM 0 HD11 LEU A 69 -4.853 0.006 -11.608 1.00 65.51 H new ATOM 0 HD12 LEU A 69 -4.979 1.742 -11.237 1.00 65.51 H new ATOM 0 HD13 LEU A 69 -3.797 0.731 -10.373 1.00 65.51 H new ATOM 0 HD21 LEU A 69 -5.757 -1.693 -10.009 1.00 74.35 H new ATOM 0 HD22 LEU A 69 -4.641 -1.066 -8.774 1.00 74.35 H new ATOM 0 HD23 LEU A 69 -6.383 -1.174 -8.427 1.00 74.35 H new ATOM 1025 N ALA A 70 -5.323 0.683 -5.751 1.00 12.30 N ATOM 1026 CA ALA A 70 -4.825 -0.259 -4.742 1.00 23.10 C ATOM 1027 C ALA A 70 -5.852 -0.555 -3.638 1.00 51.41 C ATOM 1028 O ALA A 70 -5.871 -1.651 -3.075 1.00 71.21 O ATOM 1029 CB ALA A 70 -3.547 0.278 -4.110 1.00 30.34 C ATOM 0 H ALA A 70 -4.757 1.528 -5.830 1.00 12.30 H new ATOM 0 HA ALA A 70 -4.628 -1.196 -5.263 1.00 23.10 H new ATOM 0 HB1 ALA A 70 -3.186 -0.429 -3.363 1.00 30.34 H new ATOM 0 HB2 ALA A 70 -2.788 0.411 -4.881 1.00 30.34 H new ATOM 0 HB3 ALA A 70 -3.752 1.237 -3.634 1.00 30.34 H new ATOM 1035 N ILE A 71 -6.729 0.399 -3.335 1.00 34.50 N ATOM 1036 CA ILE A 71 -7.852 0.240 -2.407 1.00 14.23 C ATOM 1037 C ILE A 71 -8.899 -0.735 -2.985 1.00 21.32 C ATOM 1038 O ILE A 71 -9.610 -1.411 -2.241 1.00 12.12 O ATOM 1039 CB ILE A 71 -8.401 1.657 -2.116 1.00 63.35 C ATOM 1040 CG1 ILE A 71 -7.378 2.431 -1.252 1.00 64.33 C ATOM 1041 CG2 ILE A 71 -9.767 1.676 -1.422 1.00 5.54 C ATOM 1042 CD1 ILE A 71 -7.619 3.944 -1.246 1.00 32.01 C ATOM 0 H ILE A 71 -6.678 1.334 -3.740 1.00 34.50 H new ATOM 0 HA ILE A 71 -7.545 -0.212 -1.464 1.00 14.23 H new ATOM 0 HB ILE A 71 -8.548 2.132 -3.086 1.00 63.35 H new ATOM 0 HG12 ILE A 71 -7.420 2.058 -0.229 1.00 64.33 H new ATOM 0 HG13 ILE A 71 -6.373 2.231 -1.623 1.00 64.33 H new ATOM 0 HG21 ILE A 71 -10.076 2.708 -1.256 1.00 5.54 H new ATOM 0 HG22 ILE A 71 -10.502 1.174 -2.051 1.00 5.54 H new ATOM 0 HG23 ILE A 71 -9.696 1.160 -0.464 1.00 5.54 H new ATOM 0 HD11 ILE A 71 -6.868 4.430 -0.622 1.00 32.01 H new ATOM 0 HD12 ILE A 71 -7.548 4.328 -2.264 1.00 32.01 H new ATOM 0 HD13 ILE A 71 -8.612 4.153 -0.848 1.00 32.01 H new ATOM 1053 N GLY A 72 -8.972 -0.858 -4.310 1.00 1.23 N ATOM 1054 CA GLY A 72 -9.953 -1.652 -5.033 1.00 74.25 C ATOM 1055 C GLY A 72 -9.717 -3.161 -4.953 1.00 45.21 C ATOM 1056 O GLY A 72 -10.590 -3.924 -5.365 1.00 74.25 O ATOM 0 H GLY A 72 -8.318 -0.384 -4.932 1.00 1.23 H new ATOM 0 HA2 GLY A 72 -10.945 -1.429 -4.641 1.00 74.25 H new ATOM 0 HA3 GLY A 72 -9.949 -1.350 -6.080 1.00 74.25 H new ATOM 1060 N LEU A 73 -8.553 -3.613 -4.482 1.00 2.30 N ATOM 1061 CA LEU A 73 -8.160 -5.013 -4.473 1.00 70.14 C ATOM 1062 C LEU A 73 -8.610 -5.782 -3.231 1.00 72.11 C ATOM 1063 O LEU A 73 -8.328 -6.973 -3.154 1.00 34.22 O ATOM 1064 CB LEU A 73 -6.635 -5.074 -4.496 1.00 53.33 C ATOM 1065 CG LEU A 73 -5.931 -4.696 -5.796 1.00 24.12 C ATOM 1066 CD1 LEU A 73 -6.246 -5.638 -6.955 1.00 5.32 C ATOM 1067 CD2 LEU A 73 -6.110 -3.276 -6.271 1.00 61.44 C ATOM 0 H LEU A 73 -7.844 -2.995 -4.088 1.00 2.30 H new ATOM 0 HA LEU A 73 -8.636 -5.473 -5.339 1.00 70.14 H new ATOM 0 HB2 LEU A 73 -6.261 -4.419 -3.709 1.00 53.33 H new ATOM 0 HB3 LEU A 73 -6.336 -6.089 -4.235 1.00 53.33 H new ATOM 0 HG LEU A 73 -4.887 -4.798 -5.501 1.00 24.12 H new ATOM 0 HD11 LEU A 73 -5.712 -5.309 -7.847 1.00 5.32 H new ATOM 0 HD12 LEU A 73 -5.933 -6.650 -6.697 1.00 5.32 H new ATOM 0 HD13 LEU A 73 -7.318 -5.629 -7.150 1.00 5.32 H new ATOM 0 HD21 LEU A 73 -5.562 -3.132 -7.202 1.00 61.44 H new ATOM 0 HD22 LEU A 73 -7.169 -3.079 -6.439 1.00 61.44 H new ATOM 0 HD23 LEU A 73 -5.728 -2.589 -5.516 1.00 61.44 H new ATOM 1078 N THR A 74 -9.228 -5.126 -2.250 1.00 14.11 N ATOM 1079 CA THR A 74 -9.344 -5.601 -0.867 1.00 71.21 C ATOM 1080 C THR A 74 -9.872 -7.041 -0.678 1.00 42.30 C ATOM 1081 O THR A 74 -9.644 -7.639 0.375 1.00 1.15 O ATOM 1082 CB THR A 74 -10.125 -4.573 -0.023 1.00 11.00 C ATOM 1083 OG1 THR A 74 -10.179 -4.979 1.327 1.00 13.15 O ATOM 1084 CG2 THR A 74 -11.568 -4.371 -0.504 1.00 21.44 C ATOM 0 H THR A 74 -9.676 -4.222 -2.397 1.00 14.11 H new ATOM 0 HA THR A 74 -8.320 -5.679 -0.503 1.00 71.21 H new ATOM 0 HB THR A 74 -9.585 -3.633 -0.133 1.00 11.00 H new ATOM 0 HG1 THR A 74 -9.333 -5.408 1.574 1.00 13.15 H new ATOM 0 HG21 THR A 74 -12.064 -3.636 0.131 1.00 21.44 H new ATOM 0 HG22 THR A 74 -11.562 -4.015 -1.534 1.00 21.44 H new ATOM 0 HG23 THR A 74 -12.105 -5.318 -0.451 1.00 21.44 H new ATOM 1092 N GLY A 75 -10.579 -7.617 -1.648 1.00 11.31 N ATOM 1093 CA GLY A 75 -11.133 -8.958 -1.547 1.00 45.12 C ATOM 1094 C GLY A 75 -10.202 -10.048 -2.081 1.00 25.23 C ATOM 1095 O GLY A 75 -10.467 -11.232 -1.850 1.00 62.14 O ATOM 0 H GLY A 75 -10.784 -7.157 -2.535 1.00 11.31 H new ATOM 0 HA2 GLY A 75 -11.364 -9.169 -0.503 1.00 45.12 H new ATOM 0 HA3 GLY A 75 -12.074 -8.995 -2.095 1.00 45.12 H new ATOM 1099 N GLN A 76 -9.140 -9.686 -2.800 1.00 51.04 N ATOM 1100 CA GLN A 76 -8.190 -10.625 -3.370 1.00 61.10 C ATOM 1101 C GLN A 76 -7.239 -11.149 -2.287 1.00 2.31 C ATOM 1102 O GLN A 76 -7.119 -10.574 -1.205 1.00 30.52 O ATOM 1103 CB GLN A 76 -7.417 -9.965 -4.518 1.00 43.04 C ATOM 1104 CG GLN A 76 -8.306 -9.376 -5.628 1.00 54.21 C ATOM 1105 CD GLN A 76 -7.734 -9.618 -7.025 1.00 33.54 C ATOM 1106 OE1 GLN A 76 -7.357 -8.571 -7.732 1.00 71.32 O flip ATOM 1107 NE2 GLN A 76 -7.620 -10.753 -7.483 1.00 62.34 N flip ATOM 0 H GLN A 76 -8.917 -8.712 -3.003 1.00 51.04 H new ATOM 0 HA GLN A 76 -8.735 -11.477 -3.776 1.00 61.10 H new ATOM 0 HB2 GLN A 76 -6.793 -9.170 -4.110 1.00 43.04 H new ATOM 0 HB3 GLN A 76 -6.746 -10.702 -4.959 1.00 43.04 H new ATOM 0 HG2 GLN A 76 -9.301 -9.817 -5.565 1.00 54.21 H new ATOM 0 HG3 GLN A 76 -8.421 -8.304 -5.467 1.00 54.21 H new ATOM 0 HE21 GLN A 76 -7.914 -11.558 -6.930 1.00 62.34 H new ATOM 0 HE22 GLN A 76 -7.231 -10.890 -8.416 1.00 62.34 H new ATOM 1114 N ARG A 77 -6.523 -12.232 -2.593 1.00 50.20 N ATOM 1115 CA ARG A 77 -5.587 -12.926 -1.708 1.00 30.55 C ATOM 1116 C ARG A 77 -4.365 -13.371 -2.506 1.00 50.00 C ATOM 1117 O ARG A 77 -4.319 -14.485 -3.027 1.00 3.43 O ATOM 1118 CB ARG A 77 -6.285 -14.089 -0.979 1.00 53.20 C ATOM 1119 CG ARG A 77 -7.148 -14.981 -1.892 1.00 51.02 C ATOM 1120 CD ARG A 77 -7.348 -16.368 -1.285 1.00 13.15 C ATOM 1121 NE ARG A 77 -8.260 -17.182 -2.110 1.00 22.13 N ATOM 1122 CZ ARG A 77 -8.549 -18.482 -1.951 1.00 2.15 C ATOM 1123 NH1 ARG A 77 -7.920 -19.205 -1.025 1.00 63.32 N ATOM 1124 NH2 ARG A 77 -9.463 -19.057 -2.733 1.00 4.41 N ATOM 0 H ARG A 77 -6.584 -12.671 -3.512 1.00 50.20 H new ATOM 0 HA ARG A 77 -5.240 -12.246 -0.930 1.00 30.55 H new ATOM 0 HB2 ARG A 77 -5.528 -14.707 -0.497 1.00 53.20 H new ATOM 0 HB3 ARG A 77 -6.915 -13.681 -0.188 1.00 53.20 H new ATOM 0 HG2 ARG A 77 -8.117 -14.509 -2.054 1.00 51.02 H new ATOM 0 HG3 ARG A 77 -6.672 -15.074 -2.868 1.00 51.02 H new ATOM 0 HD2 ARG A 77 -6.385 -16.872 -1.196 1.00 13.15 H new ATOM 0 HD3 ARG A 77 -7.752 -16.273 -0.277 1.00 13.15 H new ATOM 0 HE ARG A 77 -8.721 -16.705 -2.885 1.00 22.13 H new ATOM 0 HH11 ARG A 77 -7.214 -18.770 -0.431 1.00 63.32 H new ATOM 0 HH12 ARG A 77 -8.145 -20.193 -0.910 1.00 63.32 H new ATOM 0 HH21 ARG A 77 -9.939 -18.508 -3.449 1.00 4.41 H new ATOM 0 HH22 ARG A 77 -9.686 -20.045 -2.615 1.00 4.41 H new ATOM 1135 N VAL A 78 -3.357 -12.515 -2.614 1.00 61.40 N ATOM 1136 CA VAL A 78 -2.189 -12.726 -3.468 1.00 53.30 C ATOM 1137 C VAL A 78 -1.403 -13.918 -2.946 1.00 24.13 C ATOM 1138 O VAL A 78 -0.721 -13.785 -1.941 1.00 1.32 O ATOM 1139 CB VAL A 78 -1.321 -11.449 -3.518 1.00 1.03 C ATOM 1140 CG1 VAL A 78 -0.097 -11.643 -4.426 1.00 74.23 C ATOM 1141 CG2 VAL A 78 -2.168 -10.299 -4.061 1.00 10.42 C ATOM 0 H VAL A 78 -3.325 -11.634 -2.100 1.00 61.40 H new ATOM 0 HA VAL A 78 -2.508 -12.939 -4.488 1.00 53.30 H new ATOM 0 HB VAL A 78 -0.969 -11.228 -2.510 1.00 1.03 H new ATOM 0 HG11 VAL A 78 0.494 -10.727 -4.441 1.00 74.23 H new ATOM 0 HG12 VAL A 78 0.513 -12.462 -4.045 1.00 74.23 H new ATOM 0 HG13 VAL A 78 -0.428 -11.877 -5.438 1.00 74.23 H new ATOM 0 HG21 VAL A 78 -1.566 -9.391 -4.101 1.00 10.42 H new ATOM 0 HG22 VAL A 78 -2.518 -10.547 -5.063 1.00 10.42 H new ATOM 0 HG23 VAL A 78 -3.025 -10.138 -3.407 1.00 10.42 H new ATOM 1151 N LEU A 79 -1.548 -15.096 -3.561 1.00 5.03 N ATOM 1152 CA LEU A 79 -0.984 -16.350 -3.049 1.00 51.03 C ATOM 1153 C LEU A 79 -1.319 -16.546 -1.557 1.00 32.52 C ATOM 1154 O LEU A 79 -0.538 -17.103 -0.783 1.00 3.33 O ATOM 1155 CB LEU A 79 0.530 -16.403 -3.341 1.00 12.31 C ATOM 1156 CG LEU A 79 0.921 -16.176 -4.817 1.00 3.23 C ATOM 1157 CD1 LEU A 79 2.442 -16.090 -4.952 1.00 73.24 C ATOM 1158 CD2 LEU A 79 0.378 -17.286 -5.727 1.00 32.14 C ATOM 0 H LEU A 79 -2.063 -15.207 -4.434 1.00 5.03 H new ATOM 0 HA LEU A 79 -1.444 -17.190 -3.570 1.00 51.03 H new ATOM 0 HB2 LEU A 79 1.029 -15.651 -2.730 1.00 12.31 H new ATOM 0 HB3 LEU A 79 0.911 -17.374 -3.026 1.00 12.31 H new ATOM 0 HG LEU A 79 0.473 -15.235 -5.135 1.00 3.23 H new ATOM 0 HD11 LEU A 79 2.706 -15.930 -5.997 1.00 73.24 H new ATOM 0 HD12 LEU A 79 2.814 -15.259 -4.352 1.00 73.24 H new ATOM 0 HD13 LEU A 79 2.891 -17.020 -4.603 1.00 73.24 H new ATOM 0 HD21 LEU A 79 0.675 -17.090 -6.757 1.00 32.14 H new ATOM 0 HD22 LEU A 79 0.783 -18.247 -5.410 1.00 32.14 H new ATOM 0 HD23 LEU A 79 -0.710 -17.311 -5.661 1.00 32.14 H new ATOM 1169 N GLY A 80 -2.495 -16.071 -1.136 1.00 23.25 N ATOM 1170 CA GLY A 80 -2.962 -16.144 0.242 1.00 33.53 C ATOM 1171 C GLY A 80 -2.647 -14.902 1.076 1.00 44.20 C ATOM 1172 O GLY A 80 -2.939 -14.907 2.271 1.00 64.14 O ATOM 0 H GLY A 80 -3.160 -15.616 -1.762 1.00 23.25 H new ATOM 0 HA2 GLY A 80 -4.040 -16.303 0.241 1.00 33.53 H new ATOM 0 HA3 GLY A 80 -2.512 -17.014 0.721 1.00 33.53 H new ATOM 1176 N VAL A 81 -2.104 -13.839 0.480 1.00 31.51 N ATOM 1177 CA VAL A 81 -1.711 -12.586 1.119 1.00 33.24 C ATOM 1178 C VAL A 81 -2.742 -11.495 0.756 1.00 44.03 C ATOM 1179 O VAL A 81 -2.605 -10.848 -0.284 1.00 42.44 O ATOM 1180 CB VAL A 81 -0.243 -12.233 0.775 1.00 24.24 C ATOM 1181 CG1 VAL A 81 0.246 -11.104 1.695 1.00 30.22 C ATOM 1182 CG2 VAL A 81 0.689 -13.452 0.944 1.00 24.42 C ATOM 0 H VAL A 81 -1.916 -13.832 -0.523 1.00 31.51 H new ATOM 0 HA VAL A 81 -1.725 -12.679 2.205 1.00 33.24 H new ATOM 0 HB VAL A 81 -0.214 -11.916 -0.268 1.00 24.24 H new ATOM 0 HG11 VAL A 81 1.279 -10.858 1.451 1.00 30.22 H new ATOM 0 HG12 VAL A 81 -0.380 -10.223 1.554 1.00 30.22 H new ATOM 0 HG13 VAL A 81 0.186 -11.429 2.734 1.00 30.22 H new ATOM 0 HG21 VAL A 81 1.711 -13.166 0.694 1.00 24.42 H new ATOM 0 HG22 VAL A 81 0.652 -13.798 1.977 1.00 24.42 H new ATOM 0 HG23 VAL A 81 0.364 -14.253 0.281 1.00 24.42 H new ATOM 1192 N PRO A 82 -3.851 -11.363 1.508 1.00 45.14 N ATOM 1193 CA PRO A 82 -4.921 -10.403 1.226 1.00 65.43 C ATOM 1194 C PRO A 82 -4.486 -8.955 1.472 1.00 52.20 C ATOM 1195 O PRO A 82 -3.368 -8.715 1.939 1.00 65.20 O ATOM 1196 CB PRO A 82 -6.064 -10.814 2.157 1.00 3.42 C ATOM 1197 CG PRO A 82 -5.295 -11.314 3.378 1.00 1.32 C ATOM 1198 CD PRO A 82 -4.145 -12.069 2.742 1.00 34.22 C ATOM 0 HA PRO A 82 -5.213 -10.426 0.176 1.00 65.43 H new ATOM 0 HB2 PRO A 82 -6.718 -9.976 2.399 1.00 3.42 H new ATOM 0 HB3 PRO A 82 -6.690 -11.592 1.720 1.00 3.42 H new ATOM 0 HG2 PRO A 82 -4.947 -10.493 4.004 1.00 1.32 H new ATOM 0 HG3 PRO A 82 -5.907 -11.959 4.009 1.00 1.32 H new ATOM 0 HD2 PRO A 82 -3.276 -12.087 3.400 1.00 34.22 H new ATOM 0 HD3 PRO A 82 -4.418 -13.106 2.545 1.00 34.22 H new ATOM 1203 N ILE A 83 -5.364 -7.986 1.186 1.00 53.31 N ATOM 1204 CA ILE A 83 -5.064 -6.569 1.352 1.00 73.44 C ATOM 1205 C ILE A 83 -6.289 -5.829 1.904 1.00 71.12 C ATOM 1206 O ILE A 83 -7.431 -6.227 1.687 1.00 72.20 O ATOM 1207 CB ILE A 83 -4.501 -6.013 0.020 1.00 70.42 C ATOM 1208 CG1 ILE A 83 -4.135 -4.521 0.167 1.00 32.31 C ATOM 1209 CG2 ILE A 83 -5.407 -6.267 -1.203 1.00 65.34 C ATOM 1210 CD1 ILE A 83 -3.463 -3.915 -1.061 1.00 1.21 C ATOM 0 H ILE A 83 -6.303 -8.169 0.832 1.00 53.31 H new ATOM 0 HA ILE A 83 -4.285 -6.410 2.098 1.00 73.44 H new ATOM 0 HB ILE A 83 -3.592 -6.578 -0.187 1.00 70.42 H new ATOM 0 HG12 ILE A 83 -5.041 -3.957 0.386 1.00 32.31 H new ATOM 0 HG13 ILE A 83 -3.472 -4.404 1.024 1.00 32.31 H new ATOM 0 HG21 ILE A 83 -4.941 -5.847 -2.094 1.00 65.34 H new ATOM 0 HG22 ILE A 83 -5.545 -7.340 -1.337 1.00 65.34 H new ATOM 0 HG23 ILE A 83 -6.376 -5.794 -1.043 1.00 65.34 H new ATOM 0 HD11 ILE A 83 -3.240 -2.865 -0.873 1.00 1.21 H new ATOM 0 HD12 ILE A 83 -2.537 -4.451 -1.271 1.00 1.21 H new ATOM 0 HD13 ILE A 83 -4.131 -3.996 -1.918 1.00 1.21 H new ATOM 1221 N ILE A 84 -6.046 -4.749 2.644 1.00 22.54 N ATOM 1222 CA ILE A 84 -7.060 -3.938 3.311 1.00 12.05 C ATOM 1223 C ILE A 84 -7.210 -2.618 2.538 1.00 1.34 C ATOM 1224 O ILE A 84 -6.275 -2.174 1.862 1.00 70.51 O ATOM 1225 CB ILE A 84 -6.611 -3.739 4.780 1.00 52.21 C ATOM 1226 CG1 ILE A 84 -6.286 -5.064 5.517 1.00 73.24 C ATOM 1227 CG2 ILE A 84 -7.625 -2.968 5.635 1.00 72.23 C ATOM 1228 CD1 ILE A 84 -7.391 -6.128 5.472 1.00 50.44 C ATOM 0 H ILE A 84 -5.100 -4.402 2.801 1.00 22.54 H new ATOM 0 HA ILE A 84 -8.040 -4.415 3.324 1.00 12.05 H new ATOM 0 HB ILE A 84 -5.700 -3.149 4.677 1.00 52.21 H new ATOM 0 HG12 ILE A 84 -5.379 -5.487 5.085 1.00 73.24 H new ATOM 0 HG13 ILE A 84 -6.066 -4.836 6.560 1.00 73.24 H new ATOM 0 HG21 ILE A 84 -7.243 -2.867 6.651 1.00 72.23 H new ATOM 0 HG22 ILE A 84 -7.783 -1.978 5.207 1.00 72.23 H new ATOM 0 HG23 ILE A 84 -8.570 -3.510 5.655 1.00 72.23 H new ATOM 0 HD11 ILE A 84 -7.065 -7.015 6.016 1.00 50.44 H new ATOM 0 HD12 ILE A 84 -8.296 -5.732 5.933 1.00 50.44 H new ATOM 0 HD13 ILE A 84 -7.598 -6.394 4.435 1.00 50.44 H new ATOM 1239 N VAL A 85 -8.362 -1.956 2.650 1.00 73.23 N ATOM 1240 CA VAL A 85 -8.641 -0.646 2.051 1.00 42.04 C ATOM 1241 C VAL A 85 -7.955 0.546 2.748 1.00 10.02 C ATOM 1242 O VAL A 85 -8.159 1.676 2.308 1.00 33.23 O ATOM 1243 CB VAL A 85 -10.169 -0.432 2.003 1.00 13.12 C ATOM 1244 CG1 VAL A 85 -10.854 -1.547 1.228 1.00 22.31 C ATOM 1245 CG2 VAL A 85 -10.823 -0.233 3.380 1.00 13.13 C ATOM 0 H VAL A 85 -9.153 -2.327 3.176 1.00 73.23 H new ATOM 0 HA VAL A 85 -8.212 -0.669 1.049 1.00 42.04 H new ATOM 0 HB VAL A 85 -10.314 0.510 1.474 1.00 13.12 H new ATOM 0 HG11 VAL A 85 -11.929 -1.370 1.210 1.00 22.31 H new ATOM 0 HG12 VAL A 85 -10.473 -1.568 0.207 1.00 22.31 H new ATOM 0 HG13 VAL A 85 -10.651 -2.503 1.710 1.00 22.31 H new ATOM 0 HG21 VAL A 85 -11.896 -0.090 3.256 1.00 13.13 H new ATOM 0 HG22 VAL A 85 -10.644 -1.112 3.999 1.00 13.13 H new ATOM 0 HG23 VAL A 85 -10.393 0.644 3.863 1.00 13.13 H new ATOM 1255 N GLN A 86 -7.187 0.326 3.828 1.00 45.03 N ATOM 1256 CA GLN A 86 -6.738 1.381 4.748 1.00 41.31 C ATOM 1257 C GLN A 86 -6.202 2.619 4.054 1.00 61.52 C ATOM 1258 O GLN A 86 -6.734 3.697 4.313 1.00 63.31 O ATOM 1259 CB GLN A 86 -5.688 0.893 5.749 1.00 25.20 C ATOM 1260 CG GLN A 86 -6.262 0.216 6.990 1.00 23.54 C ATOM 1261 CD GLN A 86 -7.078 1.094 7.941 1.00 51.44 C ATOM 1262 OE1 GLN A 86 -8.124 0.671 8.404 1.00 22.13 O ATOM 1263 NE2 GLN A 86 -6.639 2.284 8.322 1.00 2.34 N ATOM 0 H GLN A 86 -6.857 -0.603 4.089 1.00 45.03 H new ATOM 0 HA GLN A 86 -7.649 1.655 5.281 1.00 41.31 H new ATOM 0 HB2 GLN A 86 -5.021 0.193 5.245 1.00 25.20 H new ATOM 0 HB3 GLN A 86 -5.081 1.742 6.062 1.00 25.20 H new ATOM 0 HG2 GLN A 86 -6.894 -0.610 6.664 1.00 23.54 H new ATOM 0 HG3 GLN A 86 -5.436 -0.218 7.553 1.00 23.54 H new ATOM 0 HE21 GLN A 86 -5.766 2.651 7.943 1.00 2.34 H new ATOM 0 HE22 GLN A 86 -7.174 2.834 8.994 1.00 2.34 H new ATOM 1270 N ALA A 87 -5.140 2.480 3.251 1.00 5.31 N ATOM 1271 CA ALA A 87 -4.376 3.576 2.684 1.00 65.42 C ATOM 1272 C ALA A 87 -3.679 4.416 3.767 1.00 64.31 C ATOM 1273 O ALA A 87 -4.039 4.400 4.951 1.00 5.43 O ATOM 1274 CB ALA A 87 -5.276 4.396 1.759 1.00 43.21 C ATOM 0 H ALA A 87 -4.784 1.565 2.974 1.00 5.31 H new ATOM 0 HA ALA A 87 -3.562 3.173 2.081 1.00 65.42 H new ATOM 0 HB1 ALA A 87 -4.704 5.220 1.332 1.00 43.21 H new ATOM 0 HB2 ALA A 87 -5.650 3.759 0.957 1.00 43.21 H new ATOM 0 HB3 ALA A 87 -6.116 4.794 2.328 1.00 43.21 H new ATOM 1280 N SER A 88 -2.622 5.117 3.372 1.00 74.51 N ATOM 1281 CA SER A 88 -1.992 6.135 4.210 1.00 44.45 C ATOM 1282 C SER A 88 -2.711 7.458 3.928 1.00 5.24 C ATOM 1283 O SER A 88 -3.074 7.696 2.777 1.00 64.51 O ATOM 1284 CB SER A 88 -0.505 6.245 3.877 1.00 63.12 C ATOM 1285 OG SER A 88 0.285 5.378 4.663 1.00 62.34 O ATOM 0 H SER A 88 -2.177 4.997 2.462 1.00 74.51 H new ATOM 0 HA SER A 88 -2.071 5.876 5.266 1.00 44.45 H new ATOM 0 HB2 SER A 88 -0.353 6.016 2.822 1.00 63.12 H new ATOM 0 HB3 SER A 88 -0.175 7.273 4.030 1.00 63.12 H new ATOM 0 HG SER A 88 1.228 5.480 4.416 1.00 62.34 H new