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 Set 1.1: A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 86 GLN : amide:sc= -0.495 X(o=-0.49,f=-0.64) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 150:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.778 X(o=-0.78,f=-0.38) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -83:sc= 0.0401 USER MOD Single : A 38 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00623) USER MOD Single : A 44 MET CE :methyl 178:sc= -0.0517 (180deg=-0.0611) USER MOD Single : A 58 TYR OH : rot -93:sc= 0.102 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 67:sc= 1.22 USER MOD Single : A 74 THR OG1 : rot 29:sc= -0.153 USER MOD Single : A 76 GLN : amide:sc= -0.161 X(o=-0.16,f=0) USER MOD Single : A 88 SER OG : rot 70:sc= 0.253 USER MOD ----------------------------------------------------------------- ATOM 163 N ARG A 13 1.285 10.067 -2.794 1.00 40.25 N ATOM 164 CA ARG A 13 1.268 8.830 -3.583 1.00 43.33 C ATOM 165 C ARG A 13 1.633 7.624 -2.724 1.00 42.01 C ATOM 166 O ARG A 13 2.723 7.069 -2.853 1.00 41.11 O ATOM 167 CB ARG A 13 2.147 8.909 -4.839 1.00 55.23 C ATOM 168 CG ARG A 13 1.743 10.022 -5.806 1.00 73.55 C ATOM 169 CD ARG A 13 2.606 11.274 -5.700 1.00 63.24 C ATOM 170 NE ARG A 13 4.011 11.009 -6.042 1.00 63.55 N ATOM 171 CZ ARG A 13 4.911 11.892 -6.486 1.00 55.51 C ATOM 172 NH1 ARG A 13 4.592 13.169 -6.628 1.00 62.13 N ATOM 173 NH2 ARG A 13 6.121 11.472 -6.829 1.00 23.04 N ATOM 0 HA ARG A 13 0.244 8.701 -3.935 1.00 43.33 H new ATOM 0 HB2 ARG A 13 3.183 9.061 -4.537 1.00 55.23 H new ATOM 0 HB3 ARG A 13 2.105 7.953 -5.362 1.00 55.23 H new ATOM 0 HG2 ARG A 13 1.796 9.641 -6.826 1.00 73.55 H new ATOM 0 HG3 ARG A 13 0.703 10.292 -5.620 1.00 73.55 H new ATOM 0 HD2 ARG A 13 2.211 12.043 -6.364 1.00 63.24 H new ATOM 0 HD3 ARG A 13 2.549 11.668 -4.685 1.00 63.24 H new ATOM 0 HE ARG A 13 4.334 10.048 -5.928 1.00 63.55 H new ATOM 0 HH11 ARG A 13 3.651 13.488 -6.398 1.00 62.13 H new ATOM 0 HH12 ARG A 13 5.287 13.834 -6.968 1.00 62.13 H new ATOM 0 HH21 ARG A 13 6.358 10.483 -6.753 1.00 23.04 H new ATOM 0 HH22 ARG A 13 6.815 12.138 -7.169 1.00 23.04 H new ATOM 184 N THR A 14 0.744 7.181 -1.850 1.00 54.45 N ATOM 185 CA THR A 14 1.032 6.068 -0.956 1.00 21.22 C ATOM 186 C THR A 14 -0.167 5.111 -0.920 1.00 40.31 C ATOM 187 O THR A 14 -1.313 5.526 -1.097 1.00 3.14 O ATOM 188 CB THR A 14 1.427 6.627 0.426 1.00 42.32 C ATOM 189 OG1 THR A 14 2.079 7.890 0.372 1.00 74.35 O ATOM 190 CG2 THR A 14 2.314 5.661 1.213 1.00 31.50 C ATOM 0 H THR A 14 -0.189 7.577 -1.739 1.00 54.45 H new ATOM 0 HA THR A 14 1.877 5.480 -1.313 1.00 21.22 H new ATOM 0 HB THR A 14 0.473 6.756 0.938 1.00 42.32 H new ATOM 0 HG1 THR A 14 2.299 8.184 1.281 1.00 74.35 H new ATOM 0 HG21 THR A 14 2.564 6.101 2.178 1.00 31.50 H new ATOM 0 HG22 THR A 14 1.781 4.723 1.369 1.00 31.50 H new ATOM 0 HG23 THR A 14 3.229 5.470 0.653 1.00 31.50 H new ATOM 198 N VAL A 15 0.077 3.824 -0.686 1.00 22.13 N ATOM 199 CA VAL A 15 -0.936 2.784 -0.552 1.00 41.04 C ATOM 200 C VAL A 15 -0.579 1.946 0.685 1.00 11.30 C ATOM 201 O VAL A 15 0.479 2.165 1.285 1.00 0.34 O ATOM 202 CB VAL A 15 -1.067 1.971 -1.860 1.00 51.21 C ATOM 203 CG1 VAL A 15 -1.578 2.817 -3.038 1.00 55.24 C ATOM 204 CG2 VAL A 15 0.249 1.292 -2.261 1.00 72.52 C ATOM 0 H VAL A 15 1.025 3.464 -0.580 1.00 22.13 H new ATOM 0 HA VAL A 15 -1.929 3.206 -0.395 1.00 41.04 H new ATOM 0 HB VAL A 15 -1.808 1.202 -1.640 1.00 51.21 H new ATOM 0 HG11 VAL A 15 -1.650 2.194 -3.929 1.00 55.24 H new ATOM 0 HG12 VAL A 15 -2.562 3.220 -2.797 1.00 55.24 H new ATOM 0 HG13 VAL A 15 -0.885 3.638 -3.224 1.00 55.24 H new ATOM 0 HG21 VAL A 15 0.103 0.734 -3.186 1.00 72.52 H new ATOM 0 HG22 VAL A 15 1.018 2.050 -2.412 1.00 72.52 H new ATOM 0 HG23 VAL A 15 0.562 0.609 -1.471 1.00 72.52 H new ATOM 214 N PHE A 16 -1.458 1.036 1.106 1.00 44.44 N ATOM 215 CA PHE A 16 -1.422 0.369 2.397 1.00 20.33 C ATOM 216 C PHE A 16 -1.896 -1.075 2.204 1.00 53.21 C ATOM 217 O PHE A 16 -2.838 -1.308 1.443 1.00 71.34 O ATOM 218 CB PHE A 16 -2.367 1.158 3.324 1.00 35.21 C ATOM 219 CG PHE A 16 -2.629 0.582 4.701 1.00 24.21 C ATOM 220 CD1 PHE A 16 -1.595 -0.004 5.447 1.00 74.54 C ATOM 221 CD2 PHE A 16 -3.913 0.685 5.267 1.00 0.41 C ATOM 222 CE1 PHE A 16 -1.856 -0.566 6.704 1.00 75.21 C ATOM 223 CE2 PHE A 16 -4.173 0.137 6.535 1.00 35.30 C ATOM 224 CZ PHE A 16 -3.149 -0.510 7.246 1.00 74.23 C ATOM 0 H PHE A 16 -2.244 0.735 0.530 1.00 44.44 H new ATOM 0 HA PHE A 16 -0.423 0.339 2.832 1.00 20.33 H new ATOM 0 HB2 PHE A 16 -1.957 2.160 3.450 1.00 35.21 H new ATOM 0 HB3 PHE A 16 -3.325 1.267 2.816 1.00 35.21 H new ATOM 0 HD1 PHE A 16 -0.591 -0.022 5.050 1.00 74.54 H new ATOM 0 HD2 PHE A 16 -4.701 1.187 4.725 1.00 0.41 H new ATOM 0 HE1 PHE A 16 -1.060 -1.043 7.257 1.00 75.21 H new ATOM 0 HE2 PHE A 16 -5.162 0.214 6.963 1.00 35.30 H new ATOM 0 HZ PHE A 16 -3.356 -0.962 8.205 1.00 74.23 H new ATOM 233 N CYS A 17 -1.299 -2.047 2.902 1.00 33.21 N ATOM 234 CA CYS A 17 -1.655 -3.467 2.845 1.00 43.31 C ATOM 235 C CYS A 17 -1.833 -4.015 4.261 1.00 64.52 C ATOM 236 O CYS A 17 -0.844 -4.290 4.949 1.00 44.33 O ATOM 237 CB CYS A 17 -0.598 -4.284 2.083 1.00 14.24 C ATOM 238 SG CYS A 17 -0.256 -3.597 0.439 1.00 12.25 S ATOM 0 H CYS A 17 -0.529 -1.859 3.544 1.00 33.21 H new ATOM 0 HA CYS A 17 -2.596 -3.559 2.302 1.00 43.31 H new ATOM 0 HB2 CYS A 17 0.325 -4.312 2.663 1.00 14.24 H new ATOM 0 HB3 CYS A 17 -0.941 -5.313 1.981 1.00 14.24 H new ATOM 0 HG CYS A 17 0.975 -3.853 0.109 1.00 12.25 H new ATOM 243 N MET A 18 -3.083 -4.199 4.696 1.00 64.52 N ATOM 244 CA MET A 18 -3.400 -4.706 6.034 1.00 34.42 C ATOM 245 C MET A 18 -3.581 -6.240 6.093 1.00 72.12 C ATOM 246 O MET A 18 -3.860 -6.770 7.166 1.00 54.02 O ATOM 247 CB MET A 18 -4.644 -3.978 6.582 1.00 22.32 C ATOM 248 CG MET A 18 -4.668 -3.923 8.118 1.00 23.22 C ATOM 249 SD MET A 18 -6.287 -3.574 8.858 1.00 71.32 S ATOM 250 CE MET A 18 -6.474 -1.820 8.462 1.00 41.21 C ATOM 0 H MET A 18 -3.906 -4.000 4.128 1.00 64.52 H new ATOM 0 HA MET A 18 -2.538 -4.494 6.667 1.00 34.42 H new ATOM 0 HB2 MET A 18 -4.671 -2.963 6.185 1.00 22.32 H new ATOM 0 HB3 MET A 18 -5.542 -4.483 6.226 1.00 22.32 H new ATOM 0 HG2 MET A 18 -4.309 -4.877 8.505 1.00 23.22 H new ATOM 0 HG3 MET A 18 -3.964 -3.159 8.449 1.00 23.22 H new ATOM 0 HE1 MET A 18 -7.425 -1.458 8.853 1.00 41.21 H new ATOM 0 HE2 MET A 18 -5.658 -1.256 8.914 1.00 41.21 H new ATOM 0 HE3 MET A 18 -6.452 -1.687 7.380 1.00 41.21 H new ATOM 258 N GLN A 19 -3.451 -6.971 4.976 1.00 32.43 N ATOM 259 CA GLN A 19 -3.939 -8.350 4.866 1.00 40.12 C ATOM 260 C GLN A 19 -2.884 -9.359 4.356 1.00 22.31 C ATOM 261 O GLN A 19 -3.230 -10.348 3.708 1.00 52.32 O ATOM 262 CB GLN A 19 -5.259 -8.329 4.061 1.00 21.44 C ATOM 263 CG GLN A 19 -6.260 -9.298 4.703 1.00 2.33 C ATOM 264 CD GLN A 19 -7.614 -9.455 4.008 1.00 44.13 C ATOM 265 OE1 GLN A 19 -8.464 -10.180 4.513 1.00 44.22 O ATOM 266 NE2 GLN A 19 -7.884 -8.802 2.887 1.00 23.51 N ATOM 0 H GLN A 19 -3.006 -6.623 4.127 1.00 32.43 H new ATOM 0 HA GLN A 19 -4.146 -8.737 5.864 1.00 40.12 H new ATOM 0 HB2 GLN A 19 -5.672 -7.320 4.044 1.00 21.44 H new ATOM 0 HB3 GLN A 19 -5.072 -8.615 3.026 1.00 21.44 H new ATOM 0 HG2 GLN A 19 -5.792 -10.281 4.760 1.00 2.33 H new ATOM 0 HG3 GLN A 19 -6.440 -8.971 5.727 1.00 2.33 H new ATOM 0 HE21 GLN A 19 -7.178 -8.198 2.466 1.00 23.51 H new ATOM 0 HE22 GLN A 19 -8.798 -8.903 2.446 1.00 23.51 H new ATOM 273 N LEU A 20 -1.596 -9.106 4.623 1.00 0.12 N ATOM 274 CA LEU A 20 -0.471 -9.858 4.059 1.00 64.53 C ATOM 275 C LEU A 20 -0.305 -11.262 4.661 1.00 61.22 C ATOM 276 O LEU A 20 -0.635 -11.494 5.830 1.00 73.53 O ATOM 277 CB LEU A 20 0.826 -9.048 4.216 1.00 40.34 C ATOM 278 CG LEU A 20 0.805 -7.673 3.512 1.00 60.41 C ATOM 279 CD1 LEU A 20 2.098 -6.924 3.848 1.00 3.41 C ATOM 280 CD2 LEU A 20 0.609 -7.781 2.000 1.00 74.10 C ATOM 0 H LEU A 20 -1.303 -8.357 5.250 1.00 0.12 H new ATOM 0 HA LEU A 20 -0.693 -10.010 3.003 1.00 64.53 H new ATOM 0 HB2 LEU A 20 1.020 -8.897 5.278 1.00 40.34 H new ATOM 0 HB3 LEU A 20 1.656 -9.633 3.821 1.00 40.34 H new ATOM 0 HG LEU A 20 -0.056 -7.117 3.883 1.00 60.41 H new ATOM 0 HD11 LEU A 20 2.094 -5.951 3.356 1.00 3.41 H new ATOM 0 HD12 LEU A 20 2.168 -6.784 4.927 1.00 3.41 H new ATOM 0 HD13 LEU A 20 2.954 -7.502 3.501 1.00 3.41 H new ATOM 0 HD21 LEU A 20 0.603 -6.783 1.562 1.00 74.10 H new ATOM 0 HD22 LEU A 20 1.424 -8.362 1.568 1.00 74.10 H new ATOM 0 HD23 LEU A 20 -0.340 -8.275 1.790 1.00 74.10 H new ATOM 291 N ALA A 21 0.248 -12.193 3.871 1.00 62.21 N ATOM 292 CA ALA A 21 0.440 -13.593 4.248 1.00 44.41 C ATOM 293 C ALA A 21 1.741 -13.830 5.027 1.00 22.31 C ATOM 294 O ALA A 21 2.664 -13.011 4.986 1.00 40.30 O ATOM 295 CB ALA A 21 0.433 -14.484 3.000 1.00 72.10 C ATOM 0 H ALA A 21 0.581 -11.984 2.930 1.00 62.21 H new ATOM 0 HA ALA A 21 -0.390 -13.852 4.906 1.00 44.41 H new ATOM 0 HB1 ALA A 21 0.577 -15.524 3.294 1.00 72.10 H new ATOM 0 HB2 ALA A 21 -0.522 -14.381 2.485 1.00 72.10 H new ATOM 0 HB3 ALA A 21 1.239 -14.181 2.332 1.00 72.10 H new ATOM 301 N ALA A 22 1.836 -15.011 5.654 1.00 52.40 N ATOM 302 CA ALA A 22 2.926 -15.404 6.544 1.00 55.33 C ATOM 303 C ALA A 22 4.307 -15.308 5.897 1.00 42.30 C ATOM 304 O ALA A 22 5.263 -14.987 6.604 1.00 64.12 O ATOM 305 CB ALA A 22 2.716 -16.829 7.069 1.00 74.14 C ATOM 0 H ALA A 22 1.130 -15.740 5.549 1.00 52.40 H new ATOM 0 HA ALA A 22 2.901 -14.691 7.368 1.00 55.33 H new ATOM 0 HB1 ALA A 22 3.540 -17.099 7.729 1.00 74.14 H new ATOM 0 HB2 ALA A 22 1.778 -16.879 7.621 1.00 74.14 H new ATOM 0 HB3 ALA A 22 2.681 -17.524 6.230 1.00 74.14 H new ATOM 311 N ARG A 23 4.428 -15.577 4.593 1.00 55.42 N ATOM 312 CA ARG A 23 5.685 -15.486 3.845 1.00 74.10 C ATOM 313 C ARG A 23 5.551 -14.511 2.679 1.00 52.43 C ATOM 314 O ARG A 23 5.927 -14.813 1.540 1.00 73.41 O ATOM 315 CB ARG A 23 6.210 -16.881 3.441 1.00 43.40 C ATOM 316 CG ARG A 23 6.645 -17.742 4.641 1.00 72.14 C ATOM 317 CD ARG A 23 5.575 -18.744 5.080 1.00 4.11 C ATOM 318 NE ARG A 23 5.956 -19.433 6.320 1.00 72.12 N ATOM 319 CZ ARG A 23 5.285 -20.425 6.917 1.00 54.13 C ATOM 320 NH1 ARG A 23 4.184 -20.927 6.363 1.00 61.54 N ATOM 321 NH2 ARG A 23 5.736 -20.893 8.075 1.00 74.11 N ATOM 0 H ARG A 23 3.639 -15.870 4.017 1.00 55.42 H new ATOM 0 HA ARG A 23 6.453 -15.072 4.499 1.00 74.10 H new ATOM 0 HB2 ARG A 23 5.432 -17.408 2.888 1.00 43.40 H new ATOM 0 HB3 ARG A 23 7.056 -16.761 2.764 1.00 43.40 H new ATOM 0 HG2 ARG A 23 7.556 -18.282 4.382 1.00 72.14 H new ATOM 0 HG3 ARG A 23 6.889 -17.089 5.479 1.00 72.14 H new ATOM 0 HD2 ARG A 23 4.628 -18.225 5.228 1.00 4.11 H new ATOM 0 HD3 ARG A 23 5.416 -19.477 4.289 1.00 4.11 H new ATOM 0 HE ARG A 23 6.818 -19.125 6.771 1.00 72.12 H new ATOM 0 HH11 ARG A 23 3.845 -20.556 5.476 1.00 61.54 H new ATOM 0 HH12 ARG A 23 3.679 -21.683 6.826 1.00 61.54 H new ATOM 0 HH21 ARG A 23 6.578 -20.497 8.492 1.00 74.11 H new ATOM 0 HH22 ARG A 23 5.240 -21.649 8.547 1.00 74.11 H new ATOM 332 N ILE A 24 4.991 -13.329 2.925 1.00 13.32 N ATOM 333 CA ILE A 24 5.144 -12.212 2.000 1.00 21.31 C ATOM 334 C ILE A 24 6.642 -11.871 1.866 1.00 51.41 C ATOM 335 O ILE A 24 7.423 -12.105 2.793 1.00 61.11 O ATOM 336 CB ILE A 24 4.270 -11.032 2.497 1.00 20.53 C ATOM 337 CG1 ILE A 24 3.996 -9.984 1.397 1.00 24.41 C ATOM 338 CG2 ILE A 24 4.860 -10.356 3.746 1.00 63.24 C ATOM 339 CD1 ILE A 24 2.913 -10.467 0.428 1.00 74.22 C ATOM 0 H ILE A 24 4.431 -13.122 3.752 1.00 13.32 H new ATOM 0 HA ILE A 24 4.795 -12.462 0.998 1.00 21.31 H new ATOM 0 HB ILE A 24 3.313 -11.476 2.772 1.00 20.53 H new ATOM 0 HG12 ILE A 24 3.685 -9.045 1.855 1.00 24.41 H new ATOM 0 HG13 ILE A 24 4.915 -9.781 0.847 1.00 24.41 H new ATOM 0 HG21 ILE A 24 4.212 -9.536 4.056 1.00 63.24 H new ATOM 0 HG22 ILE A 24 4.934 -11.085 4.553 1.00 63.24 H new ATOM 0 HG23 ILE A 24 5.852 -9.968 3.515 1.00 63.24 H new ATOM 0 HD11 ILE A 24 2.742 -9.707 -0.335 1.00 74.22 H new ATOM 0 HD12 ILE A 24 3.237 -11.393 -0.048 1.00 74.22 H new ATOM 0 HD13 ILE A 24 1.988 -10.645 0.976 1.00 74.22 H new ATOM 350 N ARG A 25 7.033 -11.280 0.740 1.00 14.01 N ATOM 351 CA ARG A 25 8.326 -10.651 0.468 1.00 2.41 C ATOM 352 C ARG A 25 8.083 -9.165 0.257 1.00 23.54 C ATOM 353 O ARG A 25 7.004 -8.815 -0.217 1.00 12.03 O ATOM 354 CB ARG A 25 8.904 -11.231 -0.836 1.00 72.31 C ATOM 355 CG ARG A 25 9.617 -12.564 -0.617 1.00 3.24 C ATOM 356 CD ARG A 25 9.948 -13.193 -1.973 1.00 60.42 C ATOM 357 NE ARG A 25 10.770 -14.398 -1.808 1.00 44.02 N ATOM 358 CZ ARG A 25 10.326 -15.603 -1.442 1.00 54.21 C ATOM 359 NH1 ARG A 25 9.059 -15.822 -1.122 1.00 24.41 N ATOM 360 NH2 ARG A 25 11.171 -16.621 -1.389 1.00 11.14 N ATOM 0 H ARG A 25 6.410 -11.223 -0.066 1.00 14.01 H new ATOM 0 HA ARG A 25 9.016 -10.827 1.294 1.00 2.41 H new ATOM 0 HB2 ARG A 25 8.099 -11.368 -1.558 1.00 72.31 H new ATOM 0 HB3 ARG A 25 9.603 -10.516 -1.270 1.00 72.31 H new ATOM 0 HG2 ARG A 25 10.530 -12.410 -0.042 1.00 3.24 H new ATOM 0 HG3 ARG A 25 8.985 -13.236 -0.037 1.00 3.24 H new ATOM 0 HD2 ARG A 25 9.025 -13.447 -2.495 1.00 60.42 H new ATOM 0 HD3 ARG A 25 10.477 -12.470 -2.594 1.00 60.42 H new ATOM 0 HE ARG A 25 11.770 -14.307 -1.989 1.00 44.02 H new ATOM 0 HH11 ARG A 25 8.386 -15.056 -1.151 1.00 24.41 H new ATOM 0 HH12 ARG A 25 8.757 -16.757 -0.847 1.00 24.41 H new ATOM 0 HH21 ARG A 25 12.153 -16.482 -1.627 1.00 11.14 H new ATOM 0 HH22 ARG A 25 10.840 -17.545 -1.110 1.00 11.14 H new ATOM 371 N PRO A 26 9.088 -8.293 0.431 1.00 40.43 N ATOM 372 CA PRO A 26 8.953 -6.885 0.079 1.00 60.43 C ATOM 373 C PRO A 26 8.720 -6.684 -1.420 1.00 13.42 C ATOM 374 O PRO A 26 8.206 -5.639 -1.827 1.00 13.35 O ATOM 375 CB PRO A 26 10.243 -6.224 0.561 1.00 74.42 C ATOM 376 CG PRO A 26 11.265 -7.352 0.482 1.00 11.11 C ATOM 377 CD PRO A 26 10.446 -8.581 0.867 1.00 24.44 C ATOM 0 HA PRO A 26 8.078 -6.437 0.550 1.00 60.43 H new ATOM 0 HB2 PRO A 26 10.524 -5.382 -0.071 1.00 74.42 H new ATOM 0 HB3 PRO A 26 10.144 -5.841 1.577 1.00 74.42 H new ATOM 0 HG2 PRO A 26 11.687 -7.445 -0.518 1.00 11.11 H new ATOM 0 HG3 PRO A 26 12.098 -7.191 1.166 1.00 11.11 H new ATOM 0 HD2 PRO A 26 10.832 -9.478 0.383 1.00 24.44 H new ATOM 0 HD3 PRO A 26 10.484 -8.758 1.942 1.00 24.44 H new ATOM 382 N ARG A 27 9.062 -7.676 -2.256 1.00 21.14 N ATOM 383 CA ARG A 27 8.806 -7.637 -3.684 1.00 32.52 C ATOM 384 C ARG A 27 7.332 -7.924 -4.020 1.00 73.34 C ATOM 385 O ARG A 27 6.853 -7.409 -5.022 1.00 3.22 O ATOM 386 CB ARG A 27 9.879 -8.435 -4.437 1.00 44.13 C ATOM 387 CG ARG A 27 9.414 -9.824 -4.765 1.00 40.03 C ATOM 388 CD ARG A 27 10.328 -10.547 -5.755 1.00 0.41 C ATOM 389 NE ARG A 27 11.517 -11.156 -5.132 1.00 43.24 N ATOM 390 CZ ARG A 27 12.342 -11.962 -5.811 1.00 15.02 C ATOM 391 NH1 ARG A 27 12.188 -12.154 -7.114 1.00 12.14 N ATOM 392 NH2 ARG A 27 13.327 -12.600 -5.187 1.00 51.30 N ATOM 0 H ARG A 27 9.527 -8.530 -1.947 1.00 21.14 H new ATOM 0 HA ARG A 27 8.920 -6.622 -4.065 1.00 32.52 H new ATOM 0 HB2 ARG A 27 10.141 -7.913 -5.357 1.00 44.13 H new ATOM 0 HB3 ARG A 27 10.784 -8.488 -3.832 1.00 44.13 H new ATOM 0 HG2 ARG A 27 9.352 -10.406 -3.846 1.00 40.03 H new ATOM 0 HG3 ARG A 27 8.407 -9.775 -5.179 1.00 40.03 H new ATOM 0 HD2 ARG A 27 9.756 -11.325 -6.262 1.00 0.41 H new ATOM 0 HD3 ARG A 27 10.652 -9.840 -6.519 1.00 0.41 H new ATOM 0 HE ARG A 27 11.717 -10.957 -4.152 1.00 43.24 H new ATOM 0 HH11 ARG A 27 11.432 -11.684 -7.613 1.00 12.14 H new ATOM 0 HH12 ARG A 27 12.825 -12.771 -7.617 1.00 12.14 H new ATOM 0 HH21 ARG A 27 13.459 -12.477 -4.183 1.00 51.30 H new ATOM 0 HH22 ARG A 27 13.951 -13.212 -5.712 1.00 51.30 H new ATOM 403 N ASP A 28 6.615 -8.723 -3.216 1.00 13.24 N ATOM 404 CA ASP A 28 5.271 -9.199 -3.592 1.00 3.34 C ATOM 405 C ASP A 28 4.297 -8.023 -3.765 1.00 62.42 C ATOM 406 O ASP A 28 3.279 -8.146 -4.447 1.00 35.45 O ATOM 407 CB ASP A 28 4.665 -10.131 -2.523 1.00 72.14 C ATOM 408 CG ASP A 28 5.136 -11.588 -2.515 1.00 1.02 C ATOM 409 OD1 ASP A 28 5.037 -12.317 -3.529 1.00 34.12 O ATOM 410 OD2 ASP A 28 5.525 -12.049 -1.422 1.00 75.13 O ATOM 0 H ASP A 28 6.939 -9.053 -2.307 1.00 13.24 H new ATOM 0 HA ASP A 28 5.400 -9.741 -4.529 1.00 3.34 H new ATOM 0 HB2 ASP A 28 4.876 -9.703 -1.543 1.00 72.14 H new ATOM 0 HB3 ASP A 28 3.582 -10.127 -2.646 1.00 72.14 H new ATOM 414 N LEU A 29 4.568 -6.895 -3.099 1.00 52.23 N ATOM 415 CA LEU A 29 3.746 -5.698 -3.163 1.00 35.14 C ATOM 416 C LEU A 29 4.039 -4.961 -4.467 1.00 35.24 C ATOM 417 O LEU A 29 3.123 -4.644 -5.222 1.00 3.22 O ATOM 418 CB LEU A 29 3.981 -4.756 -1.966 1.00 75.34 C ATOM 419 CG LEU A 29 3.941 -5.316 -0.531 1.00 33.52 C ATOM 420 CD1 LEU A 29 2.795 -6.296 -0.289 1.00 54.12 C ATOM 421 CD2 LEU A 29 5.253 -5.976 -0.105 1.00 53.32 C ATOM 0 H LEU A 29 5.381 -6.794 -2.492 1.00 52.23 H new ATOM 0 HA LEU A 29 2.702 -6.008 -3.124 1.00 35.14 H new ATOM 0 HB2 LEU A 29 4.956 -4.290 -2.106 1.00 75.34 H new ATOM 0 HB3 LEU A 29 3.237 -3.962 -2.026 1.00 75.34 H new ATOM 0 HG LEU A 29 3.775 -4.432 0.084 1.00 33.52 H new ATOM 0 HD11 LEU A 29 2.830 -6.649 0.742 1.00 54.12 H new ATOM 0 HD12 LEU A 29 1.844 -5.795 -0.469 1.00 54.12 H new ATOM 0 HD13 LEU A 29 2.892 -7.144 -0.966 1.00 54.12 H new ATOM 0 HD21 LEU A 29 5.158 -6.349 0.915 1.00 53.32 H new ATOM 0 HD22 LEU A 29 5.478 -6.805 -0.776 1.00 53.32 H new ATOM 0 HD23 LEU A 29 6.060 -5.244 -0.150 1.00 53.32 H new ATOM 432 N GLU A 30 5.314 -4.655 -4.719 1.00 32.32 N ATOM 433 CA GLU A 30 5.710 -3.830 -5.848 1.00 72.23 C ATOM 434 C GLU A 30 5.498 -4.559 -7.169 1.00 44.31 C ATOM 435 O GLU A 30 5.160 -3.889 -8.144 1.00 2.24 O ATOM 436 CB GLU A 30 7.158 -3.327 -5.705 1.00 61.42 C ATOM 437 CG GLU A 30 8.159 -4.467 -5.488 1.00 31.34 C ATOM 438 CD GLU A 30 9.631 -4.065 -5.476 1.00 1.04 C ATOM 439 OE1 GLU A 30 9.989 -2.889 -5.696 1.00 73.42 O ATOM 440 OE2 GLU A 30 10.481 -4.924 -5.134 1.00 42.14 O ATOM 0 H GLU A 30 6.094 -4.974 -4.144 1.00 32.32 H new ATOM 0 HA GLU A 30 5.064 -2.952 -5.851 1.00 72.23 H new ATOM 0 HB2 GLU A 30 7.435 -2.770 -6.600 1.00 61.42 H new ATOM 0 HB3 GLU A 30 7.216 -2.633 -4.867 1.00 61.42 H new ATOM 0 HG2 GLU A 30 7.927 -4.954 -4.541 1.00 31.34 H new ATOM 0 HG3 GLU A 30 8.011 -5.209 -6.272 1.00 31.34 H new ATOM 445 N GLU A 31 5.664 -5.886 -7.212 1.00 21.12 N ATOM 446 CA GLU A 31 5.433 -6.691 -8.403 1.00 12.32 C ATOM 447 C GLU A 31 3.950 -6.677 -8.747 1.00 22.24 C ATOM 448 O GLU A 31 3.607 -6.400 -9.893 1.00 13.25 O ATOM 449 CB GLU A 31 5.918 -8.138 -8.224 1.00 74.50 C ATOM 450 CG GLU A 31 7.447 -8.262 -8.270 1.00 41.41 C ATOM 451 CD GLU A 31 7.885 -9.696 -8.564 1.00 60.12 C ATOM 452 OE1 GLU A 31 7.736 -10.583 -7.692 1.00 41.11 O ATOM 453 OE2 GLU A 31 8.442 -9.938 -9.664 1.00 51.40 O ATOM 0 H GLU A 31 5.967 -6.432 -6.406 1.00 21.12 H new ATOM 0 HA GLU A 31 6.009 -6.254 -9.219 1.00 12.32 H new ATOM 0 HB2 GLU A 31 5.555 -8.523 -7.271 1.00 74.50 H new ATOM 0 HB3 GLU A 31 5.484 -8.761 -9.006 1.00 74.50 H new ATOM 0 HG2 GLU A 31 7.844 -7.595 -9.035 1.00 41.41 H new ATOM 0 HG3 GLU A 31 7.868 -7.940 -7.317 1.00 41.41 H new ATOM 458 N PHE A 32 3.073 -6.908 -7.760 1.00 40.03 N ATOM 459 CA PHE A 32 1.632 -6.875 -7.965 1.00 21.15 C ATOM 460 C PHE A 32 1.212 -5.570 -8.621 1.00 35.33 C ATOM 461 O PHE A 32 0.456 -5.574 -9.587 1.00 13.21 O ATOM 462 CB PHE A 32 0.887 -7.038 -6.637 1.00 61.14 C ATOM 463 CG PHE A 32 -0.624 -7.033 -6.772 1.00 43.10 C ATOM 464 CD1 PHE A 32 -1.243 -7.611 -7.899 1.00 33.24 C ATOM 465 CD2 PHE A 32 -1.424 -6.555 -5.716 1.00 43.32 C ATOM 466 CE1 PHE A 32 -2.630 -7.766 -7.943 1.00 33.32 C ATOM 467 CE2 PHE A 32 -2.819 -6.721 -5.755 1.00 22.52 C ATOM 468 CZ PHE A 32 -3.421 -7.354 -6.856 1.00 42.42 C ATOM 0 H PHE A 32 3.349 -7.122 -6.802 1.00 40.03 H new ATOM 0 HA PHE A 32 1.374 -7.706 -8.621 1.00 21.15 H new ATOM 0 HB2 PHE A 32 1.197 -7.973 -6.171 1.00 61.14 H new ATOM 0 HB3 PHE A 32 1.184 -6.233 -5.965 1.00 61.14 H new ATOM 0 HD1 PHE A 32 -0.640 -7.936 -8.734 1.00 33.24 H new ATOM 0 HD2 PHE A 32 -0.964 -6.059 -4.874 1.00 43.32 H new ATOM 0 HE1 PHE A 32 -3.096 -8.203 -8.814 1.00 33.32 H new ATOM 0 HE2 PHE A 32 -3.428 -6.362 -4.939 1.00 22.52 H new ATOM 0 HZ PHE A 32 -4.488 -7.523 -6.867 1.00 42.42 H new ATOM 477 N PHE A 33 1.691 -4.444 -8.098 1.00 13.25 N ATOM 478 CA PHE A 33 1.295 -3.176 -8.670 1.00 71.33 C ATOM 479 C PHE A 33 2.086 -2.844 -9.939 1.00 75.50 C ATOM 480 O PHE A 33 1.648 -1.980 -10.689 1.00 2.12 O ATOM 481 CB PHE A 33 1.359 -2.085 -7.606 1.00 14.11 C ATOM 482 CG PHE A 33 0.561 -2.398 -6.343 1.00 75.12 C ATOM 483 CD1 PHE A 33 -0.797 -2.768 -6.431 1.00 20.41 C ATOM 484 CD2 PHE A 33 1.171 -2.324 -5.074 1.00 20.44 C ATOM 485 CE1 PHE A 33 -1.524 -3.086 -5.269 1.00 53.22 C ATOM 486 CE2 PHE A 33 0.451 -2.660 -3.913 1.00 42.33 C ATOM 487 CZ PHE A 33 -0.896 -3.046 -4.014 1.00 31.54 C ATOM 0 H PHE A 33 2.332 -4.389 -7.306 1.00 13.25 H new ATOM 0 HA PHE A 33 0.258 -3.245 -9.000 1.00 71.33 H new ATOM 0 HB2 PHE A 33 2.401 -1.920 -7.333 1.00 14.11 H new ATOM 0 HB3 PHE A 33 0.990 -1.153 -8.034 1.00 14.11 H new ATOM 0 HD1 PHE A 33 -1.282 -2.807 -7.395 1.00 20.41 H new ATOM 0 HD2 PHE A 33 2.200 -2.007 -4.993 1.00 20.44 H new ATOM 0 HE1 PHE A 33 -2.566 -3.361 -5.343 1.00 53.22 H new ATOM 0 HE2 PHE A 33 0.932 -2.621 -2.947 1.00 42.33 H new ATOM 0 HZ PHE A 33 -1.449 -3.312 -3.125 1.00 31.54 H new ATOM 496 N SER A 34 3.200 -3.523 -10.239 1.00 21.54 N ATOM 497 CA SER A 34 3.953 -3.318 -11.476 1.00 55.01 C ATOM 498 C SER A 34 3.124 -3.730 -12.692 1.00 51.14 C ATOM 499 O SER A 34 3.452 -3.311 -13.802 1.00 22.25 O ATOM 500 CB SER A 34 5.282 -4.100 -11.446 1.00 34.35 C ATOM 501 OG SER A 34 6.281 -3.549 -12.297 1.00 23.11 O ATOM 0 H SER A 34 3.603 -4.232 -9.626 1.00 21.54 H new ATOM 0 HA SER A 34 4.180 -2.255 -11.557 1.00 55.01 H new ATOM 0 HB2 SER A 34 5.659 -4.123 -10.423 1.00 34.35 H new ATOM 0 HB3 SER A 34 5.094 -5.133 -11.740 1.00 34.35 H new ATOM 0 HG SER A 34 7.098 -4.086 -12.233 1.00 23.11 H new ATOM 506 N THR A 35 2.049 -4.509 -12.530 1.00 23.21 N ATOM 507 CA THR A 35 1.296 -4.987 -13.687 1.00 71.43 C ATOM 508 C THR A 35 0.475 -3.853 -14.317 1.00 4.32 C ATOM 509 O THR A 35 0.102 -3.941 -15.491 1.00 61.31 O ATOM 510 CB THR A 35 0.441 -6.217 -13.324 1.00 15.35 C ATOM 511 OG1 THR A 35 -0.724 -5.891 -12.601 1.00 11.32 O ATOM 512 CG2 THR A 35 1.200 -7.239 -12.476 1.00 13.21 C ATOM 0 H THR A 35 1.689 -4.815 -11.626 1.00 23.21 H new ATOM 0 HA THR A 35 2.004 -5.317 -14.448 1.00 71.43 H new ATOM 0 HB THR A 35 0.179 -6.638 -14.295 1.00 15.35 H new ATOM 0 HG1 THR A 35 -0.504 -5.799 -11.650 1.00 11.32 H new ATOM 0 HG21 THR A 35 0.547 -8.082 -12.252 1.00 13.21 H new ATOM 0 HG22 THR A 35 2.073 -7.592 -13.026 1.00 13.21 H new ATOM 0 HG23 THR A 35 1.522 -6.772 -11.545 1.00 13.21 H new ATOM 520 N VAL A 36 0.190 -2.800 -13.544 1.00 1.44 N ATOM 521 CA VAL A 36 -0.791 -1.762 -13.848 1.00 43.13 C ATOM 522 C VAL A 36 -0.333 -0.366 -13.407 1.00 51.20 C ATOM 523 O VAL A 36 -0.985 0.624 -13.736 1.00 71.42 O ATOM 524 CB VAL A 36 -2.140 -2.130 -13.186 1.00 12.41 C ATOM 525 CG1 VAL A 36 -2.832 -3.289 -13.909 1.00 51.30 C ATOM 526 CG2 VAL A 36 -2.000 -2.498 -11.695 1.00 15.01 C ATOM 0 H VAL A 36 0.659 -2.644 -12.652 1.00 1.44 H new ATOM 0 HA VAL A 36 -0.906 -1.717 -14.931 1.00 43.13 H new ATOM 0 HB VAL A 36 -2.748 -1.229 -13.265 1.00 12.41 H new ATOM 0 HG11 VAL A 36 -3.776 -3.516 -13.413 1.00 51.30 H new ATOM 0 HG12 VAL A 36 -3.025 -3.009 -14.944 1.00 51.30 H new ATOM 0 HG13 VAL A 36 -2.189 -4.169 -13.885 1.00 51.30 H new ATOM 0 HG21 VAL A 36 -2.980 -2.746 -11.288 1.00 15.01 H new ATOM 0 HG22 VAL A 36 -1.337 -3.357 -11.593 1.00 15.01 H new ATOM 0 HG23 VAL A 36 -1.584 -1.651 -11.149 1.00 15.01 H new ATOM 536 N GLY A 37 0.785 -0.252 -12.695 1.00 1.02 N ATOM 537 CA GLY A 37 1.184 0.930 -11.948 1.00 21.45 C ATOM 538 C GLY A 37 2.686 0.923 -11.674 1.00 12.45 C ATOM 539 O GLY A 37 3.452 0.217 -12.340 1.00 22.42 O ATOM 0 H GLY A 37 1.462 -1.012 -12.622 1.00 1.02 H new ATOM 0 HA2 GLY A 37 0.917 1.826 -12.508 1.00 21.45 H new ATOM 0 HA3 GLY A 37 0.639 0.970 -11.005 1.00 21.45 H new ATOM 543 N LYS A 38 3.131 1.794 -10.768 1.00 42.30 N ATOM 544 CA LYS A 38 4.533 2.113 -10.545 1.00 61.32 C ATOM 545 C LYS A 38 4.779 2.450 -9.079 1.00 54.11 C ATOM 546 O LYS A 38 4.032 3.231 -8.478 1.00 61.31 O ATOM 547 CB LYS A 38 4.858 3.308 -11.441 1.00 73.42 C ATOM 548 CG LYS A 38 6.345 3.499 -11.673 1.00 51.53 C ATOM 549 CD LYS A 38 6.515 4.693 -12.611 1.00 41.51 C ATOM 550 CE LYS A 38 7.957 4.817 -13.097 1.00 62.32 C ATOM 551 NZ LYS A 38 8.258 3.822 -14.144 1.00 31.23 N ATOM 0 H LYS A 38 2.503 2.310 -10.152 1.00 42.30 H new ATOM 0 HA LYS A 38 5.172 1.264 -10.786 1.00 61.32 H new ATOM 0 HB2 LYS A 38 4.361 3.178 -12.403 1.00 73.42 H new ATOM 0 HB3 LYS A 38 4.449 4.212 -10.991 1.00 73.42 H new ATOM 0 HG2 LYS A 38 6.860 3.677 -10.729 1.00 51.53 H new ATOM 0 HG3 LYS A 38 6.783 2.602 -12.111 1.00 51.53 H new ATOM 0 HD2 LYS A 38 5.849 4.583 -13.467 1.00 41.51 H new ATOM 0 HD3 LYS A 38 6.223 5.608 -12.095 1.00 41.51 H new ATOM 0 HE2 LYS A 38 8.126 5.821 -13.487 1.00 62.32 H new ATOM 0 HE3 LYS A 38 8.639 4.682 -12.257 1.00 62.32 H new ATOM 0 HZ1 LYS A 38 9.223 3.975 -14.501 1.00 31.23 H new ATOM 0 HZ2 LYS A 38 8.185 2.865 -13.744 1.00 31.23 H new ATOM 0 HZ3 LYS A 38 7.579 3.924 -14.925 1.00 31.23 H new ATOM 561 N VAL A 39 5.839 1.890 -8.512 1.00 53.43 N ATOM 562 CA VAL A 39 6.303 2.107 -7.148 1.00 71.30 C ATOM 563 C VAL A 39 7.548 2.996 -7.197 1.00 21.25 C ATOM 564 O VAL A 39 8.353 2.903 -8.131 1.00 20.03 O ATOM 565 CB VAL A 39 6.525 0.729 -6.489 1.00 52.04 C ATOM 566 CG1 VAL A 39 7.336 0.775 -5.190 1.00 53.41 C ATOM 567 CG2 VAL A 39 5.162 0.097 -6.169 1.00 34.34 C ATOM 0 H VAL A 39 6.432 1.234 -9.021 1.00 53.43 H new ATOM 0 HA VAL A 39 5.574 2.633 -6.531 1.00 71.30 H new ATOM 0 HB VAL A 39 7.099 0.144 -7.208 1.00 52.04 H new ATOM 0 HG11 VAL A 39 7.445 -0.234 -4.793 1.00 53.41 H new ATOM 0 HG12 VAL A 39 8.322 1.195 -5.391 1.00 53.41 H new ATOM 0 HG13 VAL A 39 6.819 1.398 -4.460 1.00 53.41 H new ATOM 0 HG21 VAL A 39 5.313 -0.877 -5.703 1.00 34.34 H new ATOM 0 HG22 VAL A 39 4.612 0.745 -5.486 1.00 34.34 H new ATOM 0 HG23 VAL A 39 4.593 -0.026 -7.090 1.00 34.34 H new ATOM 577 N ARG A 40 7.702 3.873 -6.205 1.00 63.11 N ATOM 578 CA ARG A 40 8.883 4.696 -5.986 1.00 2.14 C ATOM 579 C ARG A 40 9.701 4.072 -4.869 1.00 2.31 C ATOM 580 O ARG A 40 10.877 3.777 -5.085 1.00 15.25 O ATOM 581 CB ARG A 40 8.494 6.157 -5.655 1.00 22.22 C ATOM 582 CG ARG A 40 9.664 7.156 -5.701 1.00 72.43 C ATOM 583 CD ARG A 40 10.470 7.093 -7.010 1.00 22.43 C ATOM 584 NE ARG A 40 11.619 6.168 -6.918 1.00 11.43 N ATOM 585 CZ ARG A 40 12.901 6.521 -6.783 1.00 63.20 C ATOM 586 NH1 ARG A 40 13.237 7.787 -6.572 1.00 53.42 N ATOM 587 NH2 ARG A 40 13.858 5.605 -6.871 1.00 11.14 N ATOM 0 H ARG A 40 6.976 4.033 -5.506 1.00 63.11 H new ATOM 0 HA ARG A 40 9.480 4.733 -6.897 1.00 2.14 H new ATOM 0 HB2 ARG A 40 7.727 6.483 -6.357 1.00 22.22 H new ATOM 0 HB3 ARG A 40 8.048 6.184 -4.661 1.00 22.22 H new ATOM 0 HG2 ARG A 40 9.275 8.166 -5.571 1.00 72.43 H new ATOM 0 HG3 ARG A 40 10.332 6.961 -4.862 1.00 72.43 H new ATOM 0 HD2 ARG A 40 9.816 6.776 -7.822 1.00 22.43 H new ATOM 0 HD3 ARG A 40 10.829 8.091 -7.261 1.00 22.43 H new ATOM 0 HE ARG A 40 11.415 5.170 -6.961 1.00 11.43 H new ATOM 0 HH11 ARG A 40 12.513 8.503 -6.511 1.00 53.42 H new ATOM 0 HH12 ARG A 40 14.219 8.044 -6.471 1.00 53.42 H new ATOM 0 HH21 ARG A 40 13.616 4.629 -7.042 1.00 11.14 H new ATOM 0 HH22 ARG A 40 14.836 5.877 -6.768 1.00 11.14 H new ATOM 598 N ASP A 41 9.075 3.853 -3.714 1.00 0.53 N ATOM 599 CA ASP A 41 9.727 3.301 -2.526 1.00 35.22 C ATOM 600 C ASP A 41 8.825 2.279 -1.831 1.00 64.11 C ATOM 601 O ASP A 41 7.629 2.190 -2.108 1.00 63.31 O ATOM 602 CB ASP A 41 10.140 4.426 -1.562 1.00 52.54 C ATOM 603 CG ASP A 41 11.491 4.133 -0.908 1.00 12.40 C ATOM 604 OD1 ASP A 41 11.701 3.024 -0.363 1.00 2.54 O ATOM 605 OD2 ASP A 41 12.365 5.025 -0.965 1.00 12.11 O ATOM 0 H ASP A 41 8.085 4.057 -3.574 1.00 0.53 H new ATOM 0 HA ASP A 41 10.631 2.781 -2.843 1.00 35.22 H new ATOM 0 HB2 ASP A 41 10.194 5.370 -2.104 1.00 52.54 H new ATOM 0 HB3 ASP A 41 9.379 4.544 -0.791 1.00 52.54 H new ATOM 609 N VAL A 42 9.401 1.489 -0.935 1.00 21.34 N ATOM 610 CA VAL A 42 8.901 0.222 -0.442 1.00 43.05 C ATOM 611 C VAL A 42 9.195 0.193 1.056 1.00 15.14 C ATOM 612 O VAL A 42 10.368 0.207 1.439 1.00 71.21 O ATOM 613 CB VAL A 42 9.628 -0.899 -1.216 1.00 12.12 C ATOM 614 CG1 VAL A 42 9.012 -1.094 -2.607 1.00 52.20 C ATOM 615 CG2 VAL A 42 11.147 -0.706 -1.384 1.00 44.24 C ATOM 0 H VAL A 42 10.292 1.738 -0.506 1.00 21.34 H new ATOM 0 HA VAL A 42 7.830 0.084 -0.590 1.00 43.05 H new ATOM 0 HB VAL A 42 9.490 -1.780 -0.590 1.00 12.12 H new ATOM 0 HG11 VAL A 42 9.542 -1.889 -3.131 1.00 52.20 H new ATOM 0 HG12 VAL A 42 7.961 -1.365 -2.505 1.00 52.20 H new ATOM 0 HG13 VAL A 42 9.094 -0.167 -3.175 1.00 52.20 H new ATOM 0 HG21 VAL A 42 11.561 -1.547 -1.940 1.00 44.24 H new ATOM 0 HG22 VAL A 42 11.338 0.219 -1.928 1.00 44.24 H new ATOM 0 HG23 VAL A 42 11.618 -0.653 -0.402 1.00 44.24 H new ATOM 625 N ARG A 43 8.177 0.276 1.919 1.00 24.22 N ATOM 626 CA ARG A 43 8.425 0.678 3.300 1.00 42.05 C ATOM 627 C ARG A 43 7.501 -0.092 4.244 1.00 4.03 C ATOM 628 O ARG A 43 6.436 0.402 4.635 1.00 51.34 O ATOM 629 CB ARG A 43 8.304 2.213 3.361 1.00 4.11 C ATOM 630 CG ARG A 43 8.871 2.784 4.659 1.00 24.42 C ATOM 631 CD ARG A 43 8.859 4.319 4.639 1.00 2.42 C ATOM 632 NE ARG A 43 8.542 4.849 5.973 1.00 2.03 N ATOM 633 CZ ARG A 43 7.332 5.221 6.409 1.00 64.14 C ATOM 634 NH1 ARG A 43 6.303 5.342 5.568 1.00 54.02 N ATOM 635 NH2 ARG A 43 7.157 5.473 7.699 1.00 54.45 N ATOM 0 H ARG A 43 7.203 0.076 1.692 1.00 24.22 H new ATOM 0 HA ARG A 43 9.429 0.423 3.640 1.00 42.05 H new ATOM 0 HB2 ARG A 43 8.830 2.651 2.513 1.00 4.11 H new ATOM 0 HB3 ARG A 43 7.256 2.497 3.268 1.00 4.11 H new ATOM 0 HG2 ARG A 43 8.286 2.424 5.505 1.00 24.42 H new ATOM 0 HG3 ARG A 43 9.891 2.427 4.802 1.00 24.42 H new ATOM 0 HD2 ARG A 43 9.830 4.692 4.315 1.00 2.42 H new ATOM 0 HD3 ARG A 43 8.124 4.673 3.916 1.00 2.42 H new ATOM 0 HE ARG A 43 9.318 4.942 6.629 1.00 2.03 H new ATOM 0 HH11 ARG A 43 6.431 5.150 4.574 1.00 54.02 H new ATOM 0 HH12 ARG A 43 5.388 5.627 5.919 1.00 54.02 H new ATOM 0 HH21 ARG A 43 7.940 5.383 8.347 1.00 54.45 H new ATOM 0 HH22 ARG A 43 6.240 5.757 8.043 1.00 54.45 H new ATOM 646 N MET A 44 7.871 -1.327 4.579 1.00 33.10 N ATOM 647 CA MET A 44 7.034 -2.223 5.367 1.00 63.34 C ATOM 648 C MET A 44 7.290 -2.021 6.847 1.00 42.13 C ATOM 649 O MET A 44 8.323 -1.509 7.279 1.00 60.45 O ATOM 650 CB MET A 44 7.312 -3.700 5.043 1.00 31.54 C ATOM 651 CG MET A 44 7.203 -4.104 3.571 1.00 24.30 C ATOM 652 SD MET A 44 7.404 -5.891 3.299 1.00 64.33 S ATOM 653 CE MET A 44 5.809 -6.513 3.884 1.00 52.40 C ATOM 0 H MET A 44 8.766 -1.734 4.308 1.00 33.10 H new ATOM 0 HA MET A 44 6.001 -1.985 5.115 1.00 63.34 H new ATOM 0 HB2 MET A 44 8.316 -3.943 5.391 1.00 31.54 H new ATOM 0 HB3 MET A 44 6.618 -4.313 5.618 1.00 31.54 H new ATOM 0 HG2 MET A 44 6.232 -3.792 3.187 1.00 24.30 H new ATOM 0 HG3 MET A 44 7.960 -3.569 2.997 1.00 24.30 H new ATOM 0 HE1 MET A 44 5.768 -7.594 3.747 1.00 52.40 H new ATOM 0 HE2 MET A 44 5.692 -6.276 4.942 1.00 52.40 H new ATOM 0 HE3 MET A 44 5.005 -6.044 3.316 1.00 52.40 H new ATOM 661 N ILE A 45 6.340 -2.468 7.659 1.00 24.10 N ATOM 662 CA ILE A 45 6.385 -2.395 9.089 1.00 3.41 C ATOM 663 C ILE A 45 7.094 -3.652 9.603 1.00 41.13 C ATOM 664 O ILE A 45 7.640 -4.446 8.834 1.00 23.31 O ATOM 665 CB ILE A 45 4.918 -2.234 9.529 1.00 60.12 C ATOM 666 CG1 ILE A 45 4.161 -1.211 8.615 1.00 42.04 C ATOM 667 CG2 ILE A 45 4.826 -1.864 11.028 1.00 51.21 C ATOM 668 CD1 ILE A 45 4.546 0.210 8.917 1.00 12.44 C ATOM 0 H ILE A 45 5.488 -2.907 7.311 1.00 24.10 H new ATOM 0 HA ILE A 45 6.953 -1.560 9.500 1.00 3.41 H new ATOM 0 HB ILE A 45 4.418 -3.195 9.407 1.00 60.12 H new ATOM 0 HG12 ILE A 45 4.378 -1.430 7.569 1.00 42.04 H new ATOM 0 HG13 ILE A 45 3.086 -1.331 8.750 1.00 42.04 H new ATOM 0 HG21 ILE A 45 3.779 -1.756 11.313 1.00 51.21 H new ATOM 0 HG22 ILE A 45 5.285 -2.651 11.626 1.00 51.21 H new ATOM 0 HG23 ILE A 45 5.348 -0.923 11.203 1.00 51.21 H new ATOM 0 HD11 ILE A 45 3.996 0.883 8.259 1.00 12.44 H new ATOM 0 HD12 ILE A 45 4.305 0.440 9.955 1.00 12.44 H new ATOM 0 HD13 ILE A 45 5.616 0.339 8.756 1.00 12.44 H new ATOM 814 N GLY A 55 1.327 -7.219 11.063 1.00 74.31 N ATOM 815 CA GLY A 55 1.037 -7.480 9.662 1.00 74.23 C ATOM 816 C GLY A 55 0.546 -6.219 8.980 1.00 12.11 C ATOM 817 O GLY A 55 -0.653 -6.090 8.745 1.00 62.24 O ATOM 0 HA2 GLY A 55 1.933 -7.847 9.161 1.00 74.23 H new ATOM 0 HA3 GLY A 55 0.283 -8.263 9.580 1.00 74.23 H new ATOM 821 N ILE A 56 1.445 -5.290 8.644 1.00 12.20 N ATOM 822 CA ILE A 56 1.123 -4.117 7.832 1.00 20.40 C ATOM 823 C ILE A 56 2.310 -3.735 6.933 1.00 1.10 C ATOM 824 O ILE A 56 3.471 -3.962 7.280 1.00 22.13 O ATOM 825 CB ILE A 56 0.652 -2.930 8.719 1.00 60.35 C ATOM 826 CG1 ILE A 56 1.410 -2.772 10.055 1.00 41.14 C ATOM 827 CG2 ILE A 56 -0.858 -3.026 9.009 1.00 41.23 C ATOM 828 CD1 ILE A 56 1.250 -1.393 10.683 1.00 73.52 C ATOM 0 H ILE A 56 2.423 -5.332 8.931 1.00 12.20 H new ATOM 0 HA ILE A 56 0.289 -4.371 7.178 1.00 20.40 H new ATOM 0 HB ILE A 56 0.880 -2.044 8.127 1.00 60.35 H new ATOM 0 HG12 ILE A 56 1.054 -3.526 10.757 1.00 41.14 H new ATOM 0 HG13 ILE A 56 2.469 -2.966 9.888 1.00 41.14 H new ATOM 0 HG21 ILE A 56 -1.163 -2.185 9.631 1.00 41.23 H new ATOM 0 HG22 ILE A 56 -1.411 -3.002 8.070 1.00 41.23 H new ATOM 0 HG23 ILE A 56 -1.070 -3.959 9.531 1.00 41.23 H new ATOM 0 HD11 ILE A 56 1.808 -1.352 11.618 1.00 73.52 H new ATOM 0 HD12 ILE A 56 1.632 -0.635 9.999 1.00 73.52 H new ATOM 0 HD13 ILE A 56 0.195 -1.204 10.882 1.00 73.52 H new ATOM 839 N ALA A 57 2.032 -3.089 5.797 1.00 51.05 N ATOM 840 CA ALA A 57 3.019 -2.431 4.945 1.00 21.11 C ATOM 841 C ALA A 57 2.376 -1.223 4.277 1.00 4.33 C ATOM 842 O ALA A 57 1.164 -1.236 4.061 1.00 63.33 O ATOM 843 CB ALA A 57 3.512 -3.384 3.854 1.00 11.12 C ATOM 0 H ALA A 57 1.081 -3.009 5.436 1.00 51.05 H new ATOM 0 HA ALA A 57 3.863 -2.126 5.563 1.00 21.11 H new ATOM 0 HB1 ALA A 57 4.246 -2.874 3.230 1.00 11.12 H new ATOM 0 HB2 ALA A 57 3.972 -4.258 4.315 1.00 11.12 H new ATOM 0 HB3 ALA A 57 2.670 -3.699 3.238 1.00 11.12 H new ATOM 849 N TYR A 58 3.190 -0.239 3.902 1.00 51.12 N ATOM 850 CA TYR A 58 2.832 0.835 2.989 1.00 43.21 C ATOM 851 C TYR A 58 3.824 0.779 1.833 1.00 62.51 C ATOM 852 O TYR A 58 4.945 0.287 1.987 1.00 75.25 O ATOM 853 CB TYR A 58 2.878 2.192 3.709 1.00 21.53 C ATOM 854 CG TYR A 58 1.938 2.280 4.894 1.00 1.01 C ATOM 855 CD1 TYR A 58 2.325 1.712 6.116 1.00 32.13 C ATOM 856 CD2 TYR A 58 0.671 2.879 4.774 1.00 35.21 C ATOM 857 CE1 TYR A 58 1.449 1.706 7.208 1.00 35.30 C ATOM 858 CE2 TYR A 58 -0.204 2.906 5.875 1.00 12.22 C ATOM 859 CZ TYR A 58 0.176 2.306 7.096 1.00 60.51 C ATOM 860 OH TYR A 58 -0.679 2.309 8.157 1.00 54.42 O ATOM 0 H TYR A 58 4.150 -0.168 4.239 1.00 51.12 H new ATOM 0 HA TYR A 58 1.814 0.717 2.618 1.00 43.21 H new ATOM 0 HB2 TYR A 58 3.897 2.380 4.049 1.00 21.53 H new ATOM 0 HB3 TYR A 58 2.629 2.980 2.998 1.00 21.53 H new ATOM 0 HD1 TYR A 58 3.308 1.275 6.216 1.00 32.13 H new ATOM 0 HD2 TYR A 58 0.369 3.319 3.835 1.00 35.21 H new ATOM 0 HE1 TYR A 58 1.747 1.242 8.137 1.00 35.30 H new ATOM 0 HE2 TYR A 58 -1.167 3.386 5.787 1.00 12.22 H new ATOM 0 HH TYR A 58 -1.272 1.531 8.102 1.00 54.42 H new ATOM 869 N VAL A 59 3.409 1.285 0.681 1.00 42.23 N ATOM 870 CA VAL A 59 4.234 1.362 -0.511 1.00 75.25 C ATOM 871 C VAL A 59 4.015 2.764 -1.057 1.00 41.05 C ATOM 872 O VAL A 59 2.883 3.254 -1.098 1.00 14.12 O ATOM 873 CB VAL A 59 3.876 0.231 -1.499 1.00 12.31 C ATOM 874 CG1 VAL A 59 4.839 0.215 -2.691 1.00 33.51 C ATOM 875 CG2 VAL A 59 3.917 -1.165 -0.849 1.00 4.23 C ATOM 0 H VAL A 59 2.470 1.661 0.548 1.00 42.23 H new ATOM 0 HA VAL A 59 5.294 1.209 -0.311 1.00 75.25 H new ATOM 0 HB VAL A 59 2.858 0.442 -1.825 1.00 12.31 H new ATOM 0 HG11 VAL A 59 4.563 -0.591 -3.371 1.00 33.51 H new ATOM 0 HG12 VAL A 59 4.783 1.168 -3.217 1.00 33.51 H new ATOM 0 HG13 VAL A 59 5.857 0.057 -2.334 1.00 33.51 H new ATOM 0 HG21 VAL A 59 3.657 -1.920 -1.591 1.00 4.23 H new ATOM 0 HG22 VAL A 59 4.920 -1.360 -0.469 1.00 4.23 H new ATOM 0 HG23 VAL A 59 3.203 -1.204 -0.026 1.00 4.23 H new ATOM 885 N GLU A 60 5.102 3.427 -1.428 1.00 72.21 N ATOM 886 CA GLU A 60 5.073 4.750 -2.008 1.00 3.21 C ATOM 887 C GLU A 60 4.981 4.536 -3.514 1.00 63.12 C ATOM 888 O GLU A 60 5.905 4.001 -4.130 1.00 12.32 O ATOM 889 CB GLU A 60 6.316 5.525 -1.556 1.00 35.24 C ATOM 890 CG GLU A 60 6.201 7.015 -1.883 1.00 23.21 C ATOM 891 CD GLU A 60 7.228 7.813 -1.080 1.00 0.20 C ATOM 892 OE1 GLU A 60 8.399 7.903 -1.502 1.00 52.14 O ATOM 893 OE2 GLU A 60 6.870 8.347 -0.001 1.00 54.23 O ATOM 0 H GLU A 60 6.044 3.047 -1.330 1.00 72.21 H new ATOM 0 HA GLU A 60 4.225 5.356 -1.687 1.00 3.21 H new ATOM 0 HB2 GLU A 60 6.455 5.397 -0.482 1.00 35.24 H new ATOM 0 HB3 GLU A 60 7.200 5.112 -2.043 1.00 35.24 H new ATOM 0 HG2 GLU A 60 6.360 7.174 -2.950 1.00 23.21 H new ATOM 0 HG3 GLU A 60 5.196 7.368 -1.654 1.00 23.21 H new ATOM 898 N PHE A 61 3.827 4.840 -4.094 1.00 12.13 N ATOM 899 CA PHE A 61 3.624 4.827 -5.533 1.00 0.04 C ATOM 900 C PHE A 61 4.328 6.023 -6.150 1.00 55.23 C ATOM 901 O PHE A 61 4.741 6.945 -5.445 1.00 15.00 O ATOM 902 CB PHE A 61 2.123 4.844 -5.850 1.00 34.33 C ATOM 903 CG PHE A 61 1.471 3.479 -5.926 1.00 0.05 C ATOM 904 CD1 PHE A 61 1.984 2.365 -5.231 1.00 54.03 C ATOM 905 CD2 PHE A 61 0.329 3.323 -6.731 1.00 71.53 C ATOM 906 CE1 PHE A 61 1.335 1.125 -5.301 1.00 15.42 C ATOM 907 CE2 PHE A 61 -0.320 2.080 -6.801 1.00 24.41 C ATOM 908 CZ PHE A 61 0.164 0.991 -6.063 1.00 60.34 C ATOM 0 H PHE A 61 2.995 5.106 -3.568 1.00 12.13 H new ATOM 0 HA PHE A 61 4.047 3.917 -5.958 1.00 0.04 H new ATOM 0 HB2 PHE A 61 1.612 5.432 -5.088 1.00 34.33 H new ATOM 0 HB3 PHE A 61 1.973 5.355 -6.801 1.00 34.33 H new ATOM 0 HD1 PHE A 61 2.883 2.468 -4.641 1.00 54.03 H new ATOM 0 HD2 PHE A 61 -0.050 4.161 -7.297 1.00 71.53 H new ATOM 0 HE1 PHE A 61 1.735 0.274 -4.770 1.00 15.42 H new ATOM 0 HE2 PHE A 61 -1.194 1.963 -7.425 1.00 24.41 H new ATOM 0 HZ PHE A 61 -0.364 0.049 -6.081 1.00 60.34 H new ATOM 917 N VAL A 62 4.431 6.035 -7.478 1.00 40.21 N ATOM 918 CA VAL A 62 4.883 7.229 -8.173 1.00 33.11 C ATOM 919 C VAL A 62 3.675 8.034 -8.664 1.00 55.00 C ATOM 920 O VAL A 62 3.698 9.262 -8.598 1.00 60.55 O ATOM 921 CB VAL A 62 5.869 6.905 -9.311 1.00 0.12 C ATOM 922 CG1 VAL A 62 6.727 8.152 -9.507 1.00 62.04 C ATOM 923 CG2 VAL A 62 6.835 5.751 -9.069 1.00 62.33 C ATOM 0 H VAL A 62 4.211 5.243 -8.082 1.00 40.21 H new ATOM 0 HA VAL A 62 5.441 7.844 -7.467 1.00 33.11 H new ATOM 0 HB VAL A 62 5.255 6.606 -10.161 1.00 0.12 H new ATOM 0 HG11 VAL A 62 7.447 7.976 -10.306 1.00 62.04 H new ATOM 0 HG12 VAL A 62 6.089 8.995 -9.772 1.00 62.04 H new ATOM 0 HG13 VAL A 62 7.259 8.377 -8.583 1.00 62.04 H new ATOM 0 HG21 VAL A 62 7.475 5.623 -9.942 1.00 62.33 H new ATOM 0 HG22 VAL A 62 7.451 5.969 -8.196 1.00 62.33 H new ATOM 0 HG23 VAL A 62 6.271 4.835 -8.896 1.00 62.33 H new ATOM 933 N ASP A 63 2.617 7.374 -9.141 1.00 2.41 N ATOM 934 CA ASP A 63 1.461 8.060 -9.715 1.00 71.22 C ATOM 935 C ASP A 63 0.338 8.158 -8.691 1.00 1.25 C ATOM 936 O ASP A 63 -0.113 7.144 -8.142 1.00 23.21 O ATOM 937 CB ASP A 63 0.908 7.273 -10.898 1.00 61.43 C ATOM 938 CG ASP A 63 -0.374 7.866 -11.474 1.00 32.11 C ATOM 939 OD1 ASP A 63 -0.559 9.096 -11.434 1.00 20.43 O ATOM 940 OD2 ASP A 63 -1.232 7.051 -11.899 1.00 3.42 O ATOM 0 H ASP A 63 2.539 6.357 -9.140 1.00 2.41 H new ATOM 0 HA ASP A 63 1.793 9.050 -10.026 1.00 71.22 H new ATOM 0 HB2 ASP A 63 1.664 7.231 -11.682 1.00 61.43 H new ATOM 0 HB3 ASP A 63 0.716 6.247 -10.584 1.00 61.43 H new ATOM 944 N VAL A 64 -0.158 9.377 -8.510 1.00 31.33 N ATOM 945 CA VAL A 64 -1.343 9.660 -7.712 1.00 40.34 C ATOM 946 C VAL A 64 -2.573 8.910 -8.246 1.00 44.01 C ATOM 947 O VAL A 64 -3.368 8.394 -7.460 1.00 72.35 O ATOM 948 CB VAL A 64 -1.528 11.191 -7.621 1.00 54.12 C ATOM 949 CG1 VAL A 64 -1.833 11.889 -8.956 1.00 55.22 C ATOM 950 CG2 VAL A 64 -2.615 11.559 -6.618 1.00 40.34 C ATOM 0 H VAL A 64 0.261 10.211 -8.922 1.00 31.33 H new ATOM 0 HA VAL A 64 -1.214 9.285 -6.697 1.00 40.34 H new ATOM 0 HB VAL A 64 -0.555 11.554 -7.290 1.00 54.12 H new ATOM 0 HG11 VAL A 64 -1.946 12.960 -8.789 1.00 55.22 H new ATOM 0 HG12 VAL A 64 -1.013 11.715 -9.653 1.00 55.22 H new ATOM 0 HG13 VAL A 64 -2.756 11.488 -9.374 1.00 55.22 H new ATOM 0 HG21 VAL A 64 -2.721 12.643 -6.577 1.00 40.34 H new ATOM 0 HG22 VAL A 64 -3.561 11.114 -6.927 1.00 40.34 H new ATOM 0 HG23 VAL A 64 -2.342 11.184 -5.632 1.00 40.34 H new ATOM 960 N SER A 65 -2.734 8.775 -9.566 1.00 3.43 N ATOM 961 CA SER A 65 -3.937 8.162 -10.128 1.00 63.42 C ATOM 962 C SER A 65 -3.901 6.636 -10.052 1.00 40.40 C ATOM 963 O SER A 65 -4.904 5.985 -10.351 1.00 60.51 O ATOM 964 CB SER A 65 -4.186 8.659 -11.559 1.00 43.30 C ATOM 965 OG SER A 65 -5.291 9.550 -11.562 1.00 40.42 O ATOM 0 H SER A 65 -2.051 9.080 -10.259 1.00 3.43 H new ATOM 0 HA SER A 65 -4.780 8.477 -9.514 1.00 63.42 H new ATOM 0 HB2 SER A 65 -3.298 9.162 -11.941 1.00 43.30 H new ATOM 0 HB3 SER A 65 -4.383 7.815 -12.220 1.00 43.30 H new ATOM 0 HG SER A 65 -5.451 9.870 -12.474 1.00 40.42 H new ATOM 970 N SER A 66 -2.795 6.038 -9.615 1.00 14.32 N ATOM 971 CA SER A 66 -2.717 4.605 -9.416 1.00 74.34 C ATOM 972 C SER A 66 -3.109 4.205 -7.986 1.00 63.21 C ATOM 973 O SER A 66 -3.359 3.028 -7.745 1.00 2.24 O ATOM 974 CB SER A 66 -1.320 4.144 -9.816 1.00 51.40 C ATOM 975 OG SER A 66 -1.110 4.391 -11.196 1.00 55.02 O ATOM 0 H SER A 66 -1.934 6.537 -9.391 1.00 14.32 H new ATOM 0 HA SER A 66 -3.442 4.096 -10.051 1.00 74.34 H new ATOM 0 HB2 SER A 66 -0.570 4.670 -9.225 1.00 51.40 H new ATOM 0 HB3 SER A 66 -1.204 3.081 -9.606 1.00 51.40 H new ATOM 0 HG SER A 66 -1.090 5.358 -11.356 1.00 55.02 H new ATOM 980 N VAL A 67 -3.227 5.153 -7.048 1.00 1.31 N ATOM 981 CA VAL A 67 -3.783 4.904 -5.718 1.00 4.02 C ATOM 982 C VAL A 67 -5.189 4.269 -5.840 1.00 20.41 C ATOM 983 O VAL A 67 -5.360 3.139 -5.375 1.00 0.02 O ATOM 984 CB VAL A 67 -3.716 6.197 -4.865 1.00 75.22 C ATOM 985 CG1 VAL A 67 -4.377 6.034 -3.491 1.00 52.31 C ATOM 986 CG2 VAL A 67 -2.256 6.641 -4.654 1.00 62.54 C ATOM 0 H VAL A 67 -2.937 6.120 -7.194 1.00 1.31 H new ATOM 0 HA VAL A 67 -3.184 4.171 -5.178 1.00 4.02 H new ATOM 0 HB VAL A 67 -4.265 6.954 -5.425 1.00 75.22 H new ATOM 0 HG11 VAL A 67 -4.301 6.970 -2.937 1.00 52.31 H new ATOM 0 HG12 VAL A 67 -5.428 5.774 -3.621 1.00 52.31 H new ATOM 0 HG13 VAL A 67 -3.873 5.242 -2.937 1.00 52.31 H new ATOM 0 HG21 VAL A 67 -2.235 7.550 -4.053 1.00 62.54 H new ATOM 0 HG22 VAL A 67 -1.707 5.853 -4.139 1.00 62.54 H new ATOM 0 HG23 VAL A 67 -1.791 6.835 -5.621 1.00 62.54 H new ATOM 996 N PRO A 68 -6.180 4.891 -6.513 1.00 42.30 N ATOM 997 CA PRO A 68 -7.503 4.289 -6.687 1.00 41.40 C ATOM 998 C PRO A 68 -7.493 2.995 -7.513 1.00 73.53 C ATOM 999 O PRO A 68 -8.399 2.170 -7.369 1.00 24.11 O ATOM 1000 CB PRO A 68 -8.368 5.365 -7.350 1.00 15.43 C ATOM 1001 CG PRO A 68 -7.371 6.305 -8.011 1.00 44.23 C ATOM 1002 CD PRO A 68 -6.182 6.242 -7.060 1.00 14.32 C ATOM 0 HA PRO A 68 -7.896 3.981 -5.718 1.00 41.40 H new ATOM 0 HB2 PRO A 68 -9.049 4.931 -8.082 1.00 15.43 H new ATOM 0 HB3 PRO A 68 -8.981 5.889 -6.616 1.00 15.43 H new ATOM 0 HG2 PRO A 68 -7.106 5.975 -9.015 1.00 44.23 H new ATOM 0 HG3 PRO A 68 -7.765 7.317 -8.102 1.00 44.23 H new ATOM 0 HD2 PRO A 68 -5.250 6.452 -7.585 1.00 14.32 H new ATOM 0 HD3 PRO A 68 -6.276 6.984 -6.267 1.00 14.32 H new ATOM 1007 N LEU A 69 -6.468 2.792 -8.348 1.00 22.23 N ATOM 1008 CA LEU A 69 -6.258 1.549 -9.078 1.00 43.24 C ATOM 1009 C LEU A 69 -5.992 0.428 -8.074 1.00 72.24 C ATOM 1010 O LEU A 69 -6.673 -0.592 -8.112 1.00 31.44 O ATOM 1011 CB LEU A 69 -5.085 1.711 -10.061 1.00 14.02 C ATOM 1012 CG LEU A 69 -5.164 0.845 -11.328 1.00 55.44 C ATOM 1013 CD1 LEU A 69 -3.861 1.071 -12.104 1.00 60.23 C ATOM 1014 CD2 LEU A 69 -5.339 -0.654 -11.053 1.00 13.25 C ATOM 0 H LEU A 69 -5.756 3.498 -8.534 1.00 22.23 H new ATOM 0 HA LEU A 69 -7.145 1.297 -9.659 1.00 43.24 H new ATOM 0 HB2 LEU A 69 -5.025 2.758 -10.360 1.00 14.02 H new ATOM 0 HB3 LEU A 69 -4.159 1.475 -9.537 1.00 14.02 H new ATOM 0 HG LEU A 69 -6.050 1.145 -11.888 1.00 55.44 H new ATOM 0 HD11 LEU A 69 -3.872 0.474 -13.016 1.00 60.23 H new ATOM 0 HD12 LEU A 69 -3.770 2.126 -12.363 1.00 60.23 H new ATOM 0 HD13 LEU A 69 -3.013 0.774 -11.486 1.00 60.23 H new ATOM 0 HD21 LEU A 69 -5.386 -1.194 -11.998 1.00 13.25 H new ATOM 0 HD22 LEU A 69 -4.494 -1.018 -10.469 1.00 13.25 H new ATOM 0 HD23 LEU A 69 -6.262 -0.816 -10.496 1.00 13.25 H new ATOM 1025 N ALA A 70 -5.031 0.623 -7.159 1.00 22.31 N ATOM 1026 CA ALA A 70 -4.681 -0.365 -6.145 1.00 51.23 C ATOM 1027 C ALA A 70 -5.887 -0.716 -5.270 1.00 51.03 C ATOM 1028 O ALA A 70 -6.080 -1.886 -4.944 1.00 74.50 O ATOM 1029 CB ALA A 70 -3.522 0.153 -5.289 1.00 3.02 C ATOM 0 H ALA A 70 -4.476 1.477 -7.107 1.00 22.31 H new ATOM 0 HA ALA A 70 -4.367 -1.278 -6.650 1.00 51.23 H new ATOM 0 HB1 ALA A 70 -3.267 -0.591 -4.534 1.00 3.02 H new ATOM 0 HB2 ALA A 70 -2.655 0.338 -5.924 1.00 3.02 H new ATOM 0 HB3 ALA A 70 -3.818 1.081 -4.799 1.00 3.02 H new ATOM 1035 N ILE A 71 -6.717 0.276 -4.927 1.00 21.33 N ATOM 1036 CA ILE A 71 -7.964 0.069 -4.191 1.00 75.11 C ATOM 1037 C ILE A 71 -8.851 -0.916 -4.960 1.00 74.51 C ATOM 1038 O ILE A 71 -9.362 -1.865 -4.362 1.00 44.23 O ATOM 1039 CB ILE A 71 -8.658 1.425 -3.917 1.00 55.14 C ATOM 1040 CG1 ILE A 71 -7.808 2.249 -2.926 1.00 74.41 C ATOM 1041 CG2 ILE A 71 -10.078 1.235 -3.363 1.00 42.34 C ATOM 1042 CD1 ILE A 71 -8.322 3.684 -2.732 1.00 1.10 C ATOM 0 H ILE A 71 -6.538 1.254 -5.156 1.00 21.33 H new ATOM 0 HA ILE A 71 -7.758 -0.373 -3.216 1.00 75.11 H new ATOM 0 HB ILE A 71 -8.743 1.959 -4.863 1.00 55.14 H new ATOM 0 HG12 ILE A 71 -7.794 1.742 -1.961 1.00 74.41 H new ATOM 0 HG13 ILE A 71 -6.779 2.284 -3.283 1.00 74.41 H new ATOM 0 HG21 ILE A 71 -10.532 2.210 -3.184 1.00 42.34 H new ATOM 0 HG22 ILE A 71 -10.679 0.682 -4.085 1.00 42.34 H new ATOM 0 HG23 ILE A 71 -10.032 0.678 -2.427 1.00 42.34 H new ATOM 0 HD11 ILE A 71 -7.680 4.208 -2.024 1.00 1.10 H new ATOM 0 HD12 ILE A 71 -8.310 4.207 -3.688 1.00 1.10 H new ATOM 0 HD13 ILE A 71 -9.341 3.656 -2.346 1.00 1.10 H new ATOM 1053 N GLY A 72 -8.971 -0.753 -6.280 1.00 15.14 N ATOM 1054 CA GLY A 72 -9.781 -1.614 -7.132 1.00 24.22 C ATOM 1055 C GLY A 72 -9.334 -3.076 -7.155 1.00 40.30 C ATOM 1056 O GLY A 72 -10.055 -3.931 -7.682 1.00 34.13 O ATOM 0 H GLY A 72 -8.499 -0.006 -6.790 1.00 15.14 H new ATOM 0 HA2 GLY A 72 -10.817 -1.568 -6.795 1.00 24.22 H new ATOM 0 HA3 GLY A 72 -9.759 -1.223 -8.149 1.00 24.22 H new ATOM 1060 N LEU A 73 -8.161 -3.394 -6.600 1.00 14.14 N ATOM 1061 CA LEU A 73 -7.616 -4.746 -6.536 1.00 62.23 C ATOM 1062 C LEU A 73 -7.938 -5.432 -5.199 1.00 1.03 C ATOM 1063 O LEU A 73 -7.463 -6.545 -4.982 1.00 60.42 O ATOM 1064 CB LEU A 73 -6.097 -4.741 -6.804 1.00 21.21 C ATOM 1065 CG LEU A 73 -5.623 -3.957 -8.044 1.00 20.41 C ATOM 1066 CD1 LEU A 73 -4.137 -4.223 -8.304 1.00 72.13 C ATOM 1067 CD2 LEU A 73 -6.407 -4.284 -9.324 1.00 23.31 C ATOM 0 H LEU A 73 -7.551 -2.697 -6.173 1.00 14.14 H new ATOM 0 HA LEU A 73 -8.099 -5.328 -7.321 1.00 62.23 H new ATOM 0 HB2 LEU A 73 -5.597 -4.329 -5.927 1.00 21.21 H new ATOM 0 HB3 LEU A 73 -5.764 -5.774 -6.905 1.00 21.21 H new ATOM 0 HG LEU A 73 -5.802 -2.907 -7.811 1.00 20.41 H new ATOM 0 HD11 LEU A 73 -3.815 -3.663 -9.182 1.00 72.13 H new ATOM 0 HD12 LEU A 73 -3.554 -3.907 -7.439 1.00 72.13 H new ATOM 0 HD13 LEU A 73 -3.983 -5.288 -8.476 1.00 72.13 H new ATOM 0 HD21 LEU A 73 -6.015 -3.693 -10.152 1.00 23.31 H new ATOM 0 HD22 LEU A 73 -6.303 -5.344 -9.554 1.00 23.31 H new ATOM 0 HD23 LEU A 73 -7.461 -4.047 -9.176 1.00 23.31 H new ATOM 1078 N THR A 74 -8.743 -4.811 -4.326 1.00 55.31 N ATOM 1079 CA THR A 74 -9.082 -5.283 -2.981 1.00 20.22 C ATOM 1080 C THR A 74 -9.419 -6.784 -2.941 1.00 62.50 C ATOM 1081 O THR A 74 -8.889 -7.526 -2.113 1.00 34.42 O ATOM 1082 CB THR A 74 -10.159 -4.359 -2.379 1.00 74.12 C ATOM 1083 OG1 THR A 74 -10.448 -4.761 -1.059 1.00 41.30 O ATOM 1084 CG2 THR A 74 -11.445 -4.244 -3.215 1.00 61.24 C ATOM 0 H THR A 74 -9.195 -3.925 -4.551 1.00 55.31 H new ATOM 0 HA THR A 74 -8.204 -5.214 -2.339 1.00 20.22 H new ATOM 0 HB THR A 74 -9.735 -3.355 -2.382 1.00 74.12 H new ATOM 0 HG1 THR A 74 -9.657 -5.184 -0.665 1.00 41.30 H new ATOM 0 HG21 THR A 74 -12.145 -3.575 -2.715 1.00 61.24 H new ATOM 0 HG22 THR A 74 -11.204 -3.847 -4.201 1.00 61.24 H new ATOM 0 HG23 THR A 74 -11.899 -5.229 -3.322 1.00 61.24 H new ATOM 1092 N GLY A 75 -10.237 -7.250 -3.881 1.00 34.14 N ATOM 1093 CA GLY A 75 -10.811 -8.583 -3.872 1.00 62.11 C ATOM 1094 C GLY A 75 -9.941 -9.631 -4.564 1.00 31.43 C ATOM 1095 O GLY A 75 -10.383 -10.776 -4.696 1.00 52.14 O ATOM 0 H GLY A 75 -10.523 -6.694 -4.687 1.00 34.14 H new ATOM 0 HA2 GLY A 75 -10.981 -8.889 -2.840 1.00 62.11 H new ATOM 0 HA3 GLY A 75 -11.785 -8.553 -4.360 1.00 62.11 H new ATOM 1099 N GLN A 76 -8.748 -9.279 -5.049 1.00 12.34 N ATOM 1100 CA GLN A 76 -7.785 -10.256 -5.554 1.00 61.22 C ATOM 1101 C GLN A 76 -7.172 -11.021 -4.374 1.00 54.24 C ATOM 1102 O GLN A 76 -7.580 -10.836 -3.224 1.00 41.02 O ATOM 1103 CB GLN A 76 -6.730 -9.559 -6.430 1.00 74.13 C ATOM 1104 CG GLN A 76 -7.350 -8.715 -7.561 1.00 71.23 C ATOM 1105 CD GLN A 76 -6.645 -8.889 -8.902 1.00 20.24 C ATOM 1106 OE1 GLN A 76 -6.844 -9.885 -9.590 1.00 41.14 O ATOM 1107 NE2 GLN A 76 -5.826 -7.935 -9.318 1.00 0.41 N ATOM 0 H GLN A 76 -8.425 -8.313 -5.102 1.00 12.34 H new ATOM 0 HA GLN A 76 -8.284 -10.985 -6.192 1.00 61.22 H new ATOM 0 HB2 GLN A 76 -6.111 -8.918 -5.803 1.00 74.13 H new ATOM 0 HB3 GLN A 76 -6.072 -10.311 -6.864 1.00 74.13 H new ATOM 0 HG2 GLN A 76 -8.400 -8.986 -7.673 1.00 71.23 H new ATOM 0 HG3 GLN A 76 -7.321 -7.663 -7.277 1.00 71.23 H new ATOM 0 HE21 GLN A 76 -5.667 -7.111 -8.739 1.00 0.41 H new ATOM 0 HE22 GLN A 76 -5.354 -8.025 -10.218 1.00 0.41 H new ATOM 1114 N ARG A 77 -6.215 -11.910 -4.652 1.00 71.22 N ATOM 1115 CA ARG A 77 -5.436 -12.609 -3.636 1.00 60.51 C ATOM 1116 C ARG A 77 -4.124 -13.084 -4.240 1.00 53.20 C ATOM 1117 O ARG A 77 -3.993 -14.246 -4.628 1.00 51.31 O ATOM 1118 CB ARG A 77 -6.218 -13.766 -3.011 1.00 62.40 C ATOM 1119 CG ARG A 77 -6.903 -14.656 -4.058 1.00 4.32 C ATOM 1120 CD ARG A 77 -6.939 -16.120 -3.625 1.00 21.14 C ATOM 1121 NE ARG A 77 -7.690 -16.327 -2.387 1.00 31.21 N ATOM 1122 CZ ARG A 77 -9.013 -16.298 -2.248 1.00 32.34 C ATOM 1123 NH1 ARG A 77 -9.811 -15.999 -3.272 1.00 43.21 N ATOM 1124 NH2 ARG A 77 -9.528 -16.565 -1.059 1.00 35.14 N ATOM 0 H ARG A 77 -5.958 -12.166 -5.605 1.00 71.22 H new ATOM 0 HA ARG A 77 -5.221 -11.912 -2.826 1.00 60.51 H new ATOM 0 HB2 ARG A 77 -5.541 -14.374 -2.411 1.00 62.40 H new ATOM 0 HB3 ARG A 77 -6.971 -13.365 -2.333 1.00 62.40 H new ATOM 0 HG2 ARG A 77 -7.920 -14.302 -4.226 1.00 4.32 H new ATOM 0 HG3 ARG A 77 -6.375 -14.571 -5.008 1.00 4.32 H new ATOM 0 HD2 ARG A 77 -7.385 -16.718 -4.419 1.00 21.14 H new ATOM 0 HD3 ARG A 77 -5.919 -16.479 -3.490 1.00 21.14 H new ATOM 0 HE ARG A 77 -7.144 -16.512 -1.545 1.00 31.21 H new ATOM 0 HH11 ARG A 77 -9.410 -15.786 -4.186 1.00 43.21 H new ATOM 0 HH12 ARG A 77 -10.823 -15.983 -3.142 1.00 43.21 H new ATOM 0 HH21 ARG A 77 -8.914 -16.786 -0.275 1.00 35.14 H new ATOM 0 HH22 ARG A 77 -10.539 -16.549 -0.926 1.00 35.14 H new ATOM 1135 N VAL A 78 -3.150 -12.189 -4.319 1.00 41.24 N ATOM 1136 CA VAL A 78 -1.863 -12.424 -4.963 1.00 43.03 C ATOM 1137 C VAL A 78 -1.195 -13.604 -4.288 1.00 1.43 C ATOM 1138 O VAL A 78 -0.681 -13.471 -3.178 1.00 12.45 O ATOM 1139 CB VAL A 78 -0.982 -11.166 -4.886 1.00 11.22 C ATOM 1140 CG1 VAL A 78 0.378 -11.357 -5.580 1.00 2.11 C ATOM 1141 CG2 VAL A 78 -1.710 -10.009 -5.553 1.00 51.31 C ATOM 0 H VAL A 78 -3.234 -11.252 -3.926 1.00 41.24 H new ATOM 0 HA VAL A 78 -2.011 -12.650 -6.019 1.00 43.03 H new ATOM 0 HB VAL A 78 -0.794 -10.962 -3.832 1.00 11.22 H new ATOM 0 HG11 VAL A 78 0.961 -10.440 -5.497 1.00 2.11 H new ATOM 0 HG12 VAL A 78 0.918 -12.175 -5.103 1.00 2.11 H new ATOM 0 HG13 VAL A 78 0.220 -11.592 -6.633 1.00 2.11 H new ATOM 0 HG21 VAL A 78 -1.092 -9.113 -5.503 1.00 51.31 H new ATOM 0 HG22 VAL A 78 -1.907 -10.256 -6.596 1.00 51.31 H new ATOM 0 HG23 VAL A 78 -2.654 -9.828 -5.039 1.00 51.31 H new ATOM 1151 N LEU A 79 -1.241 -14.776 -4.921 1.00 53.33 N ATOM 1152 CA LEU A 79 -0.647 -15.992 -4.368 1.00 33.11 C ATOM 1153 C LEU A 79 -1.207 -16.314 -2.976 1.00 42.31 C ATOM 1154 O LEU A 79 -0.551 -16.990 -2.182 1.00 24.13 O ATOM 1155 CB LEU A 79 0.894 -15.881 -4.400 1.00 21.31 C ATOM 1156 CG LEU A 79 1.467 -15.452 -5.767 1.00 64.13 C ATOM 1157 CD1 LEU A 79 2.909 -14.975 -5.601 1.00 71.11 C ATOM 1158 CD2 LEU A 79 1.339 -16.578 -6.798 1.00 1.11 C ATOM 0 H LEU A 79 -1.689 -14.909 -5.828 1.00 53.33 H new ATOM 0 HA LEU A 79 -0.924 -16.842 -4.991 1.00 33.11 H new ATOM 0 HB2 LEU A 79 1.212 -15.163 -3.644 1.00 21.31 H new ATOM 0 HB3 LEU A 79 1.323 -16.845 -4.125 1.00 21.31 H new ATOM 0 HG LEU A 79 0.883 -14.615 -6.151 1.00 64.13 H new ATOM 0 HD11 LEU A 79 3.307 -14.674 -6.570 1.00 71.11 H new ATOM 0 HD12 LEU A 79 2.935 -14.126 -4.918 1.00 71.11 H new ATOM 0 HD13 LEU A 79 3.516 -15.785 -5.196 1.00 71.11 H new ATOM 0 HD21 LEU A 79 1.751 -16.247 -7.751 1.00 1.11 H new ATOM 0 HD22 LEU A 79 1.887 -17.454 -6.450 1.00 1.11 H new ATOM 0 HD23 LEU A 79 0.288 -16.836 -6.927 1.00 1.11 H new ATOM 1169 N GLY A 80 -2.424 -15.841 -2.683 1.00 1.33 N ATOM 1170 CA GLY A 80 -3.070 -15.980 -1.391 1.00 40.41 C ATOM 1171 C GLY A 80 -3.250 -14.651 -0.645 1.00 54.13 C ATOM 1172 O GLY A 80 -3.947 -14.642 0.366 1.00 34.54 O ATOM 0 H GLY A 80 -2.995 -15.339 -3.363 1.00 1.33 H new ATOM 0 HA2 GLY A 80 -4.047 -16.443 -1.531 1.00 40.41 H new ATOM 0 HA3 GLY A 80 -2.482 -16.657 -0.772 1.00 40.41 H new ATOM 1176 N VAL A 81 -2.709 -13.532 -1.144 1.00 51.42 N ATOM 1177 CA VAL A 81 -2.577 -12.242 -0.455 1.00 15.25 C ATOM 1178 C VAL A 81 -3.605 -11.212 -0.961 1.00 4.32 C ATOM 1179 O VAL A 81 -3.322 -10.508 -1.942 1.00 51.01 O ATOM 1180 CB VAL A 81 -1.132 -11.716 -0.552 1.00 64.30 C ATOM 1181 CG1 VAL A 81 -0.997 -10.380 0.188 1.00 24.45 C ATOM 1182 CG2 VAL A 81 -0.147 -12.704 0.088 1.00 23.31 C ATOM 0 H VAL A 81 -2.331 -13.501 -2.091 1.00 51.42 H new ATOM 0 HA VAL A 81 -2.799 -12.403 0.600 1.00 15.25 H new ATOM 0 HB VAL A 81 -0.903 -11.591 -1.610 1.00 64.30 H new ATOM 0 HG11 VAL A 81 0.030 -10.023 0.110 1.00 24.45 H new ATOM 0 HG12 VAL A 81 -1.671 -9.648 -0.257 1.00 24.45 H new ATOM 0 HG13 VAL A 81 -1.254 -10.518 1.238 1.00 24.45 H new ATOM 0 HG21 VAL A 81 0.867 -12.311 0.007 1.00 23.31 H new ATOM 0 HG22 VAL A 81 -0.400 -12.841 1.139 1.00 23.31 H new ATOM 0 HG23 VAL A 81 -0.207 -13.663 -0.427 1.00 23.31 H new ATOM 1192 N PRO A 82 -4.829 -11.173 -0.407 1.00 71.44 N ATOM 1193 CA PRO A 82 -5.780 -10.096 -0.667 1.00 40.10 C ATOM 1194 C PRO A 82 -5.309 -8.768 -0.063 1.00 63.14 C ATOM 1195 O PRO A 82 -4.255 -8.692 0.575 1.00 44.21 O ATOM 1196 CB PRO A 82 -7.082 -10.577 -0.029 1.00 44.00 C ATOM 1197 CG PRO A 82 -6.584 -11.349 1.186 1.00 35.33 C ATOM 1198 CD PRO A 82 -5.363 -12.054 0.622 1.00 44.01 C ATOM 0 HA PRO A 82 -5.894 -9.896 -1.732 1.00 40.10 H new ATOM 0 HB2 PRO A 82 -7.727 -9.745 0.254 1.00 44.00 H new ATOM 0 HB3 PRO A 82 -7.656 -11.210 -0.705 1.00 44.00 H new ATOM 0 HG2 PRO A 82 -6.329 -10.688 2.015 1.00 35.33 H new ATOM 0 HG3 PRO A 82 -7.329 -12.053 1.557 1.00 35.33 H new ATOM 0 HD2 PRO A 82 -4.623 -12.236 1.402 1.00 44.01 H new ATOM 0 HD3 PRO A 82 -5.631 -13.024 0.204 1.00 44.01 H new ATOM 1203 N ILE A 83 -6.107 -7.712 -0.232 1.00 33.42 N ATOM 1204 CA ILE A 83 -5.785 -6.378 0.253 1.00 20.22 C ATOM 1205 C ILE A 83 -7.067 -5.704 0.776 1.00 34.15 C ATOM 1206 O ILE A 83 -8.166 -6.241 0.631 1.00 1.12 O ATOM 1207 CB ILE A 83 -4.976 -5.650 -0.856 1.00 14.04 C ATOM 1208 CG1 ILE A 83 -4.477 -4.275 -0.379 1.00 53.02 C ATOM 1209 CG2 ILE A 83 -5.676 -5.522 -2.224 1.00 52.40 C ATOM 1210 CD1 ILE A 83 -3.448 -3.647 -1.311 1.00 35.42 C ATOM 0 H ILE A 83 -7.004 -7.765 -0.715 1.00 33.42 H new ATOM 0 HA ILE A 83 -5.129 -6.365 1.123 1.00 20.22 H new ATOM 0 HB ILE A 83 -4.129 -6.312 -1.034 1.00 14.04 H new ATOM 0 HG12 ILE A 83 -5.328 -3.601 -0.283 1.00 53.02 H new ATOM 0 HG13 ILE A 83 -4.040 -4.380 0.614 1.00 53.02 H new ATOM 0 HG21 ILE A 83 -5.021 -4.998 -2.920 1.00 52.40 H new ATOM 0 HG22 ILE A 83 -5.899 -6.516 -2.613 1.00 52.40 H new ATOM 0 HG23 ILE A 83 -6.604 -4.962 -2.107 1.00 52.40 H new ATOM 0 HD11 ILE A 83 -3.140 -2.680 -0.914 1.00 35.42 H new ATOM 0 HD12 ILE A 83 -2.579 -4.301 -1.388 1.00 35.42 H new ATOM 0 HD13 ILE A 83 -3.888 -3.510 -2.299 1.00 35.42 H new ATOM 1221 N ILE A 84 -6.925 -4.571 1.464 1.00 63.44 N ATOM 1222 CA ILE A 84 -8.016 -3.739 1.968 1.00 40.13 C ATOM 1223 C ILE A 84 -7.976 -2.419 1.178 1.00 11.44 C ATOM 1224 O ILE A 84 -6.896 -1.845 1.007 1.00 54.21 O ATOM 1225 CB ILE A 84 -7.838 -3.532 3.499 1.00 52.11 C ATOM 1226 CG1 ILE A 84 -7.710 -4.836 4.324 1.00 63.42 C ATOM 1227 CG2 ILE A 84 -8.958 -2.665 4.097 1.00 0.41 C ATOM 1228 CD1 ILE A 84 -8.853 -5.844 4.192 1.00 3.13 C ATOM 0 H ILE A 84 -6.006 -4.192 1.695 1.00 63.44 H new ATOM 0 HA ILE A 84 -8.992 -4.203 1.829 1.00 40.13 H new ATOM 0 HB ILE A 84 -6.882 -3.015 3.578 1.00 52.11 H new ATOM 0 HG12 ILE A 84 -6.783 -5.332 4.036 1.00 63.42 H new ATOM 0 HG13 ILE A 84 -7.613 -4.566 5.376 1.00 63.42 H new ATOM 0 HG21 ILE A 84 -8.794 -2.546 5.168 1.00 0.41 H new ATOM 0 HG22 ILE A 84 -8.955 -1.686 3.619 1.00 0.41 H new ATOM 0 HG23 ILE A 84 -9.921 -3.148 3.929 1.00 0.41 H new ATOM 0 HD11 ILE A 84 -8.646 -6.713 4.817 1.00 3.13 H new ATOM 0 HD12 ILE A 84 -9.786 -5.380 4.513 1.00 3.13 H new ATOM 0 HD13 ILE A 84 -8.943 -6.158 3.152 1.00 3.13 H new ATOM 1239 N VAL A 85 -9.138 -1.905 0.765 1.00 74.23 N ATOM 1240 CA VAL A 85 -9.409 -0.649 0.037 1.00 44.12 C ATOM 1241 C VAL A 85 -8.882 0.652 0.666 1.00 4.00 C ATOM 1242 O VAL A 85 -9.093 1.727 0.112 1.00 42.11 O ATOM 1243 CB VAL A 85 -10.945 -0.515 -0.105 1.00 0.10 C ATOM 1244 CG1 VAL A 85 -11.538 -1.631 -0.947 1.00 51.02 C ATOM 1245 CG2 VAL A 85 -11.671 -0.506 1.250 1.00 0.03 C ATOM 0 H VAL A 85 -10.007 -2.407 0.949 1.00 74.23 H new ATOM 0 HA VAL A 85 -8.868 -0.744 -0.904 1.00 44.12 H new ATOM 0 HB VAL A 85 -11.097 0.445 -0.598 1.00 0.10 H new ATOM 0 HG11 VAL A 85 -12.617 -1.497 -1.020 1.00 51.02 H new ATOM 0 HG12 VAL A 85 -11.101 -1.605 -1.945 1.00 51.02 H new ATOM 0 HG13 VAL A 85 -11.322 -2.592 -0.481 1.00 51.02 H new ATOM 0 HG21 VAL A 85 -12.744 -0.410 1.087 1.00 0.03 H new ATOM 0 HG22 VAL A 85 -11.466 -1.437 1.779 1.00 0.03 H new ATOM 0 HG23 VAL A 85 -11.318 0.335 1.846 1.00 0.03 H new ATOM 1255 N GLN A 86 -8.260 0.587 1.839 1.00 14.01 N ATOM 1256 CA GLN A 86 -7.983 1.768 2.649 1.00 12.11 C ATOM 1257 C GLN A 86 -7.073 2.808 2.020 1.00 42.31 C ATOM 1258 O GLN A 86 -7.222 3.984 2.359 1.00 55.34 O ATOM 1259 CB GLN A 86 -7.350 1.347 3.977 1.00 51.31 C ATOM 1260 CG GLN A 86 -8.424 1.115 5.044 1.00 54.14 C ATOM 1261 CD GLN A 86 -7.908 1.171 6.476 1.00 72.12 C ATOM 1262 OE1 GLN A 86 -8.357 0.413 7.330 1.00 31.12 O ATOM 1263 NE2 GLN A 86 -7.043 2.109 6.819 1.00 23.41 N ATOM 0 H GLN A 86 -7.934 -0.286 2.255 1.00 14.01 H new ATOM 0 HA GLN A 86 -8.957 2.241 2.769 1.00 12.11 H new ATOM 0 HB2 GLN A 86 -6.769 0.435 3.835 1.00 51.31 H new ATOM 0 HB3 GLN A 86 -6.657 2.117 4.314 1.00 51.31 H new ATOM 0 HG2 GLN A 86 -9.207 1.863 4.923 1.00 54.14 H new ATOM 0 HG3 GLN A 86 -8.884 0.142 4.874 1.00 54.14 H new ATOM 0 HE21 GLN A 86 -6.668 2.740 6.111 1.00 23.41 H new ATOM 0 HE22 GLN A 86 -6.750 2.202 7.792 1.00 23.41 H new ATOM 1270 N ALA A 87 -6.104 2.381 1.207 1.00 3.00 N ATOM 1271 CA ALA A 87 -4.960 3.164 0.818 1.00 51.03 C ATOM 1272 C ALA A 87 -4.271 3.765 2.048 1.00 40.41 C ATOM 1273 O ALA A 87 -4.539 3.437 3.208 1.00 42.21 O ATOM 1274 CB ALA A 87 -5.397 4.183 -0.241 1.00 14.30 C ATOM 0 H ALA A 87 -6.107 1.448 0.795 1.00 3.00 H new ATOM 0 HA ALA A 87 -4.195 2.541 0.354 1.00 51.03 H new ATOM 0 HB1 ALA A 87 -4.539 4.783 -0.544 1.00 14.30 H new ATOM 0 HB2 ALA A 87 -5.797 3.658 -1.108 1.00 14.30 H new ATOM 0 HB3 ALA A 87 -6.166 4.834 0.176 1.00 14.30 H new ATOM 1280 N SER A 88 -3.306 4.612 1.762 1.00 24.31 N ATOM 1281 CA SER A 88 -2.863 5.640 2.685 1.00 54.25 C ATOM 1282 C SER A 88 -3.696 6.907 2.407 1.00 54.14 C ATOM 1283 O SER A 88 -4.699 6.861 1.694 1.00 1.03 O ATOM 1284 CB SER A 88 -1.353 5.830 2.497 1.00 71.41 C ATOM 1285 OG SER A 88 -0.670 5.685 3.722 1.00 24.43 O ATOM 0 H SER A 88 -2.801 4.608 0.876 1.00 24.31 H new ATOM 0 HA SER A 88 -3.018 5.376 3.731 1.00 54.25 H new ATOM 0 HB2 SER A 88 -0.978 5.101 1.779 1.00 71.41 H new ATOM 0 HB3 SER A 88 -1.156 6.818 2.081 1.00 71.41 H new ATOM 0 HG SER A 88 -0.700 4.747 4.005 1.00 24.43 H new