USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 474 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.246 USER MOD Single : A 17 CYS SG : rot 180:sc= -0.056 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.656 X(o=-0.66,f=-0.37) USER MOD Single : A 34 SER OG : rot 180:sc= 0.0197 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -146:sc= -0.0449 (180deg=-1.13) USER MOD Single : A 44 MET CE :methyl 171:sc= -0.555 (180deg=-0.647) USER MOD Single : A 58 TYR OH : rot -75:sc= 0.185 USER MOD Single : A 65 SER OG : rot 88:sc= 1.3 USER MOD Single : A 66 SER OG : rot -152:sc= 0.522 USER MOD Single : A 74 THR OG1 : rot 20:sc= 0.784 USER MOD Single : A 76 GLN : amide:sc= -0.171 K(o=-0.17,f=-1.4!) USER MOD Single : A 86 GLN : amide:sc= -0.17 X(o=-0.17,f=-0.057) USER MOD Single : A 88 SER OG : rot -50:sc= 0.166 USER MOD ----------------------------------------------------------------- ATOM 163 N ARG A 13 2.272 10.044 -1.704 1.00 13.43 N ATOM 164 CA ARG A 13 2.234 9.045 -2.794 1.00 3.10 C ATOM 165 C ARG A 13 2.144 7.573 -2.363 1.00 10.11 C ATOM 166 O ARG A 13 2.240 6.678 -3.203 1.00 14.11 O ATOM 167 CB ARG A 13 3.445 9.273 -3.725 1.00 45.35 C ATOM 168 CG ARG A 13 3.414 10.665 -4.369 1.00 2.44 C ATOM 169 CD ARG A 13 4.688 10.937 -5.163 1.00 5.03 C ATOM 170 NE ARG A 13 4.534 12.140 -5.994 1.00 52.23 N ATOM 171 CZ ARG A 13 5.234 12.389 -7.103 1.00 72.35 C ATOM 172 NH1 ARG A 13 6.424 11.829 -7.267 1.00 10.43 N ATOM 173 NH2 ARG A 13 4.720 13.180 -8.035 1.00 41.44 N ATOM 0 HA ARG A 13 1.291 9.214 -3.314 1.00 3.10 H new ATOM 0 HB2 ARG A 13 4.368 9.156 -3.157 1.00 45.35 H new ATOM 0 HB3 ARG A 13 3.452 8.512 -4.505 1.00 45.35 H new ATOM 0 HG2 ARG A 13 2.549 10.744 -5.027 1.00 2.44 H new ATOM 0 HG3 ARG A 13 3.296 11.424 -3.595 1.00 2.44 H new ATOM 0 HD2 ARG A 13 5.528 11.065 -4.480 1.00 5.03 H new ATOM 0 HD3 ARG A 13 4.919 10.079 -5.795 1.00 5.03 H new ATOM 0 HE ARG A 13 3.844 12.833 -5.703 1.00 52.23 H new ATOM 0 HH11 ARG A 13 6.800 11.211 -6.548 1.00 10.43 H new ATOM 0 HH12 ARG A 13 6.963 12.016 -8.112 1.00 10.43 H new ATOM 0 HH21 ARG A 13 3.797 13.593 -7.901 1.00 41.44 H new ATOM 0 HH22 ARG A 13 5.248 13.376 -8.886 1.00 41.44 H new ATOM 184 N THR A 14 1.983 7.266 -1.085 1.00 33.31 N ATOM 185 CA THR A 14 2.277 5.942 -0.544 1.00 41.43 C ATOM 186 C THR A 14 0.962 5.219 -0.215 1.00 54.44 C ATOM 187 O THR A 14 -0.068 5.870 0.017 1.00 22.40 O ATOM 188 CB THR A 14 3.250 6.184 0.630 1.00 11.10 C ATOM 189 OG1 THR A 14 4.442 6.705 0.081 1.00 25.41 O ATOM 190 CG2 THR A 14 3.658 4.975 1.467 1.00 34.41 C ATOM 0 H THR A 14 1.643 7.929 -0.388 1.00 33.31 H new ATOM 0 HA THR A 14 2.768 5.260 -1.239 1.00 41.43 H new ATOM 0 HB THR A 14 2.706 6.840 1.309 1.00 11.10 H new ATOM 0 HG1 THR A 14 5.087 6.874 0.800 1.00 25.41 H new ATOM 0 HG21 THR A 14 4.342 5.292 2.254 1.00 34.41 H new ATOM 0 HG22 THR A 14 2.771 4.527 1.916 1.00 34.41 H new ATOM 0 HG23 THR A 14 4.152 4.242 0.830 1.00 34.41 H new ATOM 198 N VAL A 15 0.971 3.882 -0.159 1.00 25.50 N ATOM 199 CA VAL A 15 -0.162 3.097 0.345 1.00 12.13 C ATOM 200 C VAL A 15 0.258 2.348 1.611 1.00 21.13 C ATOM 201 O VAL A 15 1.421 2.421 2.004 1.00 12.30 O ATOM 202 CB VAL A 15 -0.733 2.184 -0.758 1.00 4.20 C ATOM 203 CG1 VAL A 15 -1.357 3.033 -1.874 1.00 3.14 C ATOM 204 CG2 VAL A 15 0.322 1.235 -1.337 1.00 45.15 C ATOM 0 H VAL A 15 1.763 3.314 -0.461 1.00 25.50 H new ATOM 0 HA VAL A 15 -0.981 3.760 0.625 1.00 12.13 H new ATOM 0 HB VAL A 15 -1.502 1.563 -0.299 1.00 4.20 H new ATOM 0 HG11 VAL A 15 -1.757 2.379 -2.648 1.00 3.14 H new ATOM 0 HG12 VAL A 15 -2.162 3.642 -1.461 1.00 3.14 H new ATOM 0 HG13 VAL A 15 -0.596 3.683 -2.306 1.00 3.14 H new ATOM 0 HG21 VAL A 15 -0.132 0.614 -2.110 1.00 45.15 H new ATOM 0 HG22 VAL A 15 1.136 1.816 -1.770 1.00 45.15 H new ATOM 0 HG23 VAL A 15 0.713 0.598 -0.543 1.00 45.15 H new ATOM 214 N PHE A 16 -0.677 1.662 2.271 1.00 52.01 N ATOM 215 CA PHE A 16 -0.472 0.919 3.504 1.00 14.44 C ATOM 216 C PHE A 16 -1.245 -0.388 3.381 1.00 13.10 C ATOM 217 O PHE A 16 -2.407 -0.397 2.969 1.00 72.44 O ATOM 218 CB PHE A 16 -0.992 1.714 4.708 1.00 41.02 C ATOM 219 CG PHE A 16 -0.910 1.007 6.055 1.00 64.24 C ATOM 220 CD1 PHE A 16 0.175 0.166 6.376 1.00 5.25 C ATOM 221 CD2 PHE A 16 -1.952 1.166 6.989 1.00 62.12 C ATOM 222 CE1 PHE A 16 0.173 -0.577 7.566 1.00 51.21 C ATOM 223 CE2 PHE A 16 -1.942 0.442 8.194 1.00 1.03 C ATOM 224 CZ PHE A 16 -0.893 -0.454 8.470 1.00 5.43 C ATOM 0 H PHE A 16 -1.641 1.610 1.940 1.00 52.01 H new ATOM 0 HA PHE A 16 0.591 0.734 3.659 1.00 14.44 H new ATOM 0 HB2 PHE A 16 -0.431 2.646 4.774 1.00 41.02 H new ATOM 0 HB3 PHE A 16 -2.032 1.980 4.522 1.00 41.02 H new ATOM 0 HD1 PHE A 16 1.014 0.093 5.700 1.00 5.25 H new ATOM 0 HD2 PHE A 16 -2.763 1.848 6.778 1.00 62.12 H new ATOM 0 HE1 PHE A 16 0.993 -1.244 7.787 1.00 51.21 H new ATOM 0 HE2 PHE A 16 -2.741 0.574 8.909 1.00 1.03 H new ATOM 0 HZ PHE A 16 -0.908 -1.045 9.374 1.00 5.43 H new ATOM 233 N CYS A 17 -0.589 -1.479 3.747 1.00 64.42 N ATOM 234 CA CYS A 17 -1.029 -2.841 3.574 1.00 25.23 C ATOM 235 C CYS A 17 -0.926 -3.474 4.951 1.00 3.12 C ATOM 236 O CYS A 17 0.151 -3.443 5.539 1.00 53.02 O ATOM 237 CB CYS A 17 -0.109 -3.522 2.555 1.00 52.45 C ATOM 238 SG CYS A 17 0.022 -2.488 1.066 1.00 65.55 S ATOM 0 H CYS A 17 0.323 -1.425 4.201 1.00 64.42 H new ATOM 0 HA CYS A 17 -2.047 -2.928 3.196 1.00 25.23 H new ATOM 0 HB2 CYS A 17 0.878 -3.679 2.989 1.00 52.45 H new ATOM 0 HB3 CYS A 17 -0.502 -4.505 2.294 1.00 52.45 H new ATOM 0 HG CYS A 17 0.804 -3.066 0.204 1.00 65.55 H new ATOM 243 N MET A 18 -2.033 -3.998 5.486 1.00 10.02 N ATOM 244 CA MET A 18 -2.139 -4.453 6.878 1.00 45.31 C ATOM 245 C MET A 18 -2.619 -5.917 6.963 1.00 52.02 C ATOM 246 O MET A 18 -3.080 -6.379 8.008 1.00 65.14 O ATOM 247 CB MET A 18 -3.025 -3.448 7.644 1.00 33.32 C ATOM 248 CG MET A 18 -2.990 -3.606 9.174 1.00 50.43 C ATOM 249 SD MET A 18 -3.635 -2.194 10.115 1.00 52.30 S ATOM 250 CE MET A 18 -5.380 -2.232 9.623 1.00 10.13 C ATOM 0 H MET A 18 -2.896 -4.120 4.956 1.00 10.02 H new ATOM 0 HA MET A 18 -1.159 -4.468 7.356 1.00 45.31 H new ATOM 0 HB2 MET A 18 -2.710 -2.436 7.388 1.00 33.32 H new ATOM 0 HB3 MET A 18 -4.055 -3.557 7.303 1.00 33.32 H new ATOM 0 HG2 MET A 18 -3.562 -4.493 9.444 1.00 50.43 H new ATOM 0 HG3 MET A 18 -1.960 -3.786 9.481 1.00 50.43 H new ATOM 0 HE1 MET A 18 -5.916 -1.422 10.119 1.00 10.13 H new ATOM 0 HE2 MET A 18 -5.456 -2.109 8.543 1.00 10.13 H new ATOM 0 HE3 MET A 18 -5.819 -3.187 9.912 1.00 10.13 H new ATOM 258 N GLN A 19 -2.585 -6.644 5.840 1.00 33.54 N ATOM 259 CA GLN A 19 -3.153 -7.982 5.689 1.00 24.22 C ATOM 260 C GLN A 19 -2.214 -8.858 4.855 1.00 43.11 C ATOM 261 O GLN A 19 -2.659 -9.672 4.047 1.00 51.02 O ATOM 262 CB GLN A 19 -4.575 -7.844 5.120 1.00 23.21 C ATOM 263 CG GLN A 19 -5.470 -9.067 5.374 1.00 13.01 C ATOM 264 CD GLN A 19 -6.947 -8.774 5.102 1.00 61.44 C ATOM 265 OE1 GLN A 19 -7.807 -8.998 5.955 1.00 63.14 O ATOM 266 NE2 GLN A 19 -7.281 -8.239 3.936 1.00 12.32 N ATOM 0 H GLN A 19 -2.146 -6.303 4.985 1.00 33.54 H new ATOM 0 HA GLN A 19 -3.244 -8.494 6.647 1.00 24.22 H new ATOM 0 HB2 GLN A 19 -5.047 -6.964 5.557 1.00 23.21 H new ATOM 0 HB3 GLN A 19 -4.510 -7.670 4.046 1.00 23.21 H new ATOM 0 HG2 GLN A 19 -5.143 -9.891 4.740 1.00 13.01 H new ATOM 0 HG3 GLN A 19 -5.351 -9.393 6.407 1.00 13.01 H new ATOM 0 HE21 GLN A 19 -6.563 -8.056 3.234 1.00 12.32 H new ATOM 0 HE22 GLN A 19 -8.256 -8.010 3.740 1.00 12.32 H new ATOM 273 N LEU A 20 -0.899 -8.643 4.987 1.00 42.31 N ATOM 274 CA LEU A 20 0.063 -9.343 4.146 1.00 2.35 C ATOM 275 C LEU A 20 0.036 -10.843 4.426 1.00 62.21 C ATOM 276 O LEU A 20 -0.124 -11.267 5.574 1.00 33.44 O ATOM 277 CB LEU A 20 1.487 -8.803 4.330 1.00 51.04 C ATOM 278 CG LEU A 20 1.688 -7.332 3.926 1.00 52.11 C ATOM 279 CD1 LEU A 20 3.182 -7.009 4.009 1.00 25.45 C ATOM 280 CD2 LEU A 20 1.164 -7.035 2.517 1.00 25.20 C ATOM 0 H LEU A 20 -0.487 -7.997 5.661 1.00 42.31 H new ATOM 0 HA LEU A 20 -0.231 -9.166 3.111 1.00 2.35 H new ATOM 0 HB2 LEU A 20 1.769 -8.917 5.377 1.00 51.04 H new ATOM 0 HB3 LEU A 20 2.170 -9.420 3.746 1.00 51.04 H new ATOM 0 HG LEU A 20 1.116 -6.706 4.611 1.00 52.11 H new ATOM 0 HD11 LEU A 20 3.346 -5.969 3.726 1.00 25.45 H new ATOM 0 HD12 LEU A 20 3.532 -7.167 5.029 1.00 25.45 H new ATOM 0 HD13 LEU A 20 3.733 -7.661 3.331 1.00 25.45 H new ATOM 0 HD21 LEU A 20 1.330 -5.984 2.281 1.00 25.20 H new ATOM 0 HD22 LEU A 20 1.692 -7.657 1.794 1.00 25.20 H new ATOM 0 HD23 LEU A 20 0.097 -7.253 2.472 1.00 25.20 H new ATOM 291 N ALA A 21 0.245 -11.633 3.372 1.00 3.22 N ATOM 292 CA ALA A 21 0.363 -13.074 3.458 1.00 3.04 C ATOM 293 C ALA A 21 1.631 -13.436 4.224 1.00 64.51 C ATOM 294 O ALA A 21 2.548 -12.628 4.392 1.00 54.33 O ATOM 295 CB ALA A 21 0.357 -13.701 2.060 1.00 5.44 C ATOM 0 H ALA A 21 0.337 -11.275 2.421 1.00 3.22 H new ATOM 0 HA ALA A 21 -0.495 -13.475 3.998 1.00 3.04 H new ATOM 0 HB1 ALA A 21 0.447 -14.784 2.147 1.00 5.44 H new ATOM 0 HB2 ALA A 21 -0.576 -13.453 1.554 1.00 5.44 H new ATOM 0 HB3 ALA A 21 1.196 -13.312 1.483 1.00 5.44 H new ATOM 301 N ALA A 22 1.662 -14.679 4.675 1.00 34.12 N ATOM 302 CA ALA A 22 2.619 -15.153 5.668 1.00 61.42 C ATOM 303 C ALA A 22 3.968 -15.578 5.089 1.00 3.35 C ATOM 304 O ALA A 22 4.877 -15.854 5.875 1.00 70.14 O ATOM 305 CB ALA A 22 2.013 -16.308 6.468 1.00 61.23 C ATOM 0 H ALA A 22 1.014 -15.400 4.358 1.00 34.12 H new ATOM 0 HA ALA A 22 2.823 -14.300 6.315 1.00 61.42 H new ATOM 0 HB1 ALA A 22 2.734 -16.656 7.207 1.00 61.23 H new ATOM 0 HB2 ALA A 22 1.111 -15.966 6.974 1.00 61.23 H new ATOM 0 HB3 ALA A 22 1.762 -17.126 5.793 1.00 61.23 H new ATOM 311 N ARG A 23 4.122 -15.649 3.763 1.00 61.13 N ATOM 312 CA ARG A 23 5.420 -15.788 3.108 1.00 30.24 C ATOM 313 C ARG A 23 5.386 -15.029 1.786 1.00 73.24 C ATOM 314 O ARG A 23 5.438 -15.637 0.715 1.00 21.11 O ATOM 315 CB ARG A 23 5.778 -17.281 2.968 1.00 42.22 C ATOM 316 CG ARG A 23 7.291 -17.542 2.870 1.00 34.34 C ATOM 317 CD ARG A 23 8.004 -17.041 1.607 1.00 25.43 C ATOM 318 NE ARG A 23 7.452 -17.673 0.400 1.00 4.24 N ATOM 319 CZ ARG A 23 7.743 -18.903 -0.036 1.00 2.04 C ATOM 320 NH1 ARG A 23 8.686 -19.620 0.573 1.00 30.21 N ATOM 321 NH2 ARG A 23 7.077 -19.411 -1.068 1.00 34.40 N ATOM 0 H ARG A 23 3.339 -15.611 3.110 1.00 61.13 H new ATOM 0 HA ARG A 23 6.217 -15.347 3.706 1.00 30.24 H new ATOM 0 HB2 ARG A 23 5.378 -17.824 3.824 1.00 42.22 H new ATOM 0 HB3 ARG A 23 5.290 -17.682 2.080 1.00 42.22 H new ATOM 0 HG2 ARG A 23 7.771 -17.083 3.734 1.00 34.34 H new ATOM 0 HG3 ARG A 23 7.455 -18.617 2.948 1.00 34.34 H new ATOM 0 HD2 ARG A 23 7.901 -15.958 1.533 1.00 25.43 H new ATOM 0 HD3 ARG A 23 9.070 -17.256 1.678 1.00 25.43 H new ATOM 0 HE ARG A 23 6.791 -17.127 -0.152 1.00 4.24 H new ATOM 0 HH11 ARG A 23 9.186 -19.231 1.372 1.00 30.21 H new ATOM 0 HH12 ARG A 23 8.908 -20.558 0.240 1.00 30.21 H new ATOM 0 HH21 ARG A 23 6.347 -18.863 -1.524 1.00 34.40 H new ATOM 0 HH22 ARG A 23 7.296 -20.349 -1.404 1.00 34.40 H new ATOM 332 N ILE A 24 5.253 -13.708 1.841 1.00 53.32 N ATOM 333 CA ILE A 24 5.276 -12.857 0.648 1.00 54.24 C ATOM 334 C ILE A 24 6.680 -12.267 0.438 1.00 70.14 C ATOM 335 O ILE A 24 7.492 -12.263 1.368 1.00 51.04 O ATOM 336 CB ILE A 24 4.128 -11.832 0.748 1.00 4.01 C ATOM 337 CG1 ILE A 24 3.974 -11.020 -0.548 1.00 73.32 C ATOM 338 CG2 ILE A 24 4.224 -10.855 1.933 1.00 1.01 C ATOM 339 CD1 ILE A 24 2.528 -10.613 -0.792 1.00 70.24 C ATOM 0 H ILE A 24 5.126 -13.193 2.712 1.00 53.32 H new ATOM 0 HA ILE A 24 5.088 -13.429 -0.260 1.00 54.24 H new ATOM 0 HB ILE A 24 3.249 -12.453 0.920 1.00 4.01 H new ATOM 0 HG12 ILE A 24 4.598 -10.128 -0.494 1.00 73.32 H new ATOM 0 HG13 ILE A 24 4.333 -11.610 -1.391 1.00 73.32 H new ATOM 0 HG21 ILE A 24 3.371 -10.176 1.915 1.00 1.01 H new ATOM 0 HG22 ILE A 24 4.222 -11.416 2.868 1.00 1.01 H new ATOM 0 HG23 ILE A 24 5.147 -10.280 1.857 1.00 1.01 H new ATOM 0 HD11 ILE A 24 2.462 -10.041 -1.718 1.00 70.24 H new ATOM 0 HD12 ILE A 24 1.907 -11.505 -0.872 1.00 70.24 H new ATOM 0 HD13 ILE A 24 2.177 -10.001 0.039 1.00 70.24 H new ATOM 350 N ARG A 25 6.970 -11.750 -0.762 1.00 5.13 N ATOM 351 CA ARG A 25 8.144 -10.932 -1.082 1.00 65.22 C ATOM 352 C ARG A 25 7.691 -9.491 -1.306 1.00 34.12 C ATOM 353 O ARG A 25 6.590 -9.314 -1.824 1.00 53.02 O ATOM 354 CB ARG A 25 8.749 -11.393 -2.415 1.00 62.34 C ATOM 355 CG ARG A 25 9.445 -12.752 -2.357 1.00 14.42 C ATOM 356 CD ARG A 25 9.968 -13.107 -3.758 1.00 0.03 C ATOM 357 NE ARG A 25 11.318 -13.672 -3.685 1.00 61.32 N ATOM 358 CZ ARG A 25 12.406 -13.231 -4.324 1.00 31.50 C ATOM 359 NH1 ARG A 25 12.319 -12.306 -5.277 1.00 72.55 N ATOM 360 NH2 ARG A 25 13.597 -13.710 -4.001 1.00 61.51 N ATOM 0 H ARG A 25 6.366 -11.897 -1.571 1.00 5.13 H new ATOM 0 HA ARG A 25 8.863 -11.019 -0.267 1.00 65.22 H new ATOM 0 HB2 ARG A 25 7.958 -11.436 -3.164 1.00 62.34 H new ATOM 0 HB3 ARG A 25 9.467 -10.645 -2.752 1.00 62.34 H new ATOM 0 HG2 ARG A 25 10.269 -12.723 -1.644 1.00 14.42 H new ATOM 0 HG3 ARG A 25 8.750 -13.516 -2.010 1.00 14.42 H new ATOM 0 HD2 ARG A 25 9.295 -13.822 -4.231 1.00 0.03 H new ATOM 0 HD3 ARG A 25 9.976 -12.215 -4.384 1.00 0.03 H new ATOM 0 HE ARG A 25 11.440 -14.487 -3.084 1.00 61.32 H new ATOM 0 HH11 ARG A 25 11.410 -11.920 -5.532 1.00 72.55 H new ATOM 0 HH12 ARG A 25 13.162 -11.983 -5.753 1.00 72.55 H new ATOM 0 HH21 ARG A 25 13.682 -14.413 -3.267 1.00 61.51 H new ATOM 0 HH22 ARG A 25 14.430 -13.376 -4.486 1.00 61.51 H new ATOM 371 N PRO A 26 8.554 -8.477 -1.127 1.00 22.31 N ATOM 372 CA PRO A 26 8.216 -7.095 -1.455 1.00 63.13 C ATOM 373 C PRO A 26 7.857 -6.928 -2.937 1.00 1.30 C ATOM 374 O PRO A 26 6.944 -6.171 -3.267 1.00 65.22 O ATOM 375 CB PRO A 26 9.434 -6.260 -1.049 1.00 4.30 C ATOM 376 CG PRO A 26 10.587 -7.257 -1.027 1.00 74.12 C ATOM 377 CD PRO A 26 9.915 -8.569 -0.626 1.00 44.41 C ATOM 0 HA PRO A 26 7.325 -6.766 -0.920 1.00 63.13 H new ATOM 0 HB2 PRO A 26 9.619 -5.455 -1.760 1.00 4.30 H new ATOM 0 HB3 PRO A 26 9.291 -5.797 -0.073 1.00 4.30 H new ATOM 0 HG2 PRO A 26 11.070 -7.334 -2.001 1.00 74.12 H new ATOM 0 HG3 PRO A 26 11.357 -6.965 -0.312 1.00 74.12 H new ATOM 0 HD2 PRO A 26 10.435 -9.424 -1.058 1.00 44.41 H new ATOM 0 HD3 PRO A 26 9.927 -8.701 0.456 1.00 44.41 H new ATOM 382 N ARG A 27 8.532 -7.658 -3.838 1.00 44.42 N ATOM 383 CA ARG A 27 8.250 -7.575 -5.268 1.00 54.23 C ATOM 384 C ARG A 27 6.814 -7.988 -5.583 1.00 14.33 C ATOM 385 O ARG A 27 6.230 -7.394 -6.477 1.00 0.40 O ATOM 386 CB ARG A 27 9.293 -8.365 -6.078 1.00 13.04 C ATOM 387 CG ARG A 27 9.103 -8.293 -7.610 1.00 14.03 C ATOM 388 CD ARG A 27 10.362 -8.834 -8.301 1.00 61.41 C ATOM 389 NE ARG A 27 10.254 -8.954 -9.769 1.00 42.41 N ATOM 390 CZ ARG A 27 11.280 -9.151 -10.612 1.00 41.31 C ATOM 391 NH1 ARG A 27 12.535 -9.182 -10.172 1.00 60.33 N ATOM 392 NH2 ARG A 27 11.048 -9.365 -11.895 1.00 4.42 N ATOM 0 H ARG A 27 9.277 -8.311 -3.595 1.00 44.42 H new ATOM 0 HA ARG A 27 8.336 -6.532 -5.574 1.00 54.23 H new ATOM 0 HB2 ARG A 27 10.286 -7.991 -5.830 1.00 13.04 H new ATOM 0 HB3 ARG A 27 9.259 -9.410 -5.769 1.00 13.04 H new ATOM 0 HG2 ARG A 27 8.231 -8.876 -7.908 1.00 14.03 H new ATOM 0 HG3 ARG A 27 8.919 -7.264 -7.918 1.00 14.03 H new ATOM 0 HD2 ARG A 27 11.200 -8.179 -8.064 1.00 61.41 H new ATOM 0 HD3 ARG A 27 10.596 -9.814 -7.886 1.00 61.41 H new ATOM 0 HE ARG A 27 9.322 -8.881 -10.176 1.00 42.41 H new ATOM 0 HH11 ARG A 27 12.731 -9.055 -9.179 1.00 60.33 H new ATOM 0 HH12 ARG A 27 13.302 -9.333 -10.828 1.00 60.33 H new ATOM 0 HH21 ARG A 27 10.090 -9.380 -12.244 1.00 4.42 H new ATOM 0 HH22 ARG A 27 11.827 -9.515 -12.536 1.00 4.42 H new ATOM 403 N ASP A 28 6.208 -8.929 -4.851 1.00 20.30 N ATOM 404 CA ASP A 28 4.825 -9.356 -5.128 1.00 74.13 C ATOM 405 C ASP A 28 3.787 -8.307 -4.725 1.00 71.32 C ATOM 406 O ASP A 28 2.609 -8.427 -5.077 1.00 1.04 O ATOM 407 CB ASP A 28 4.502 -10.667 -4.411 1.00 54.23 C ATOM 408 CG ASP A 28 5.209 -11.836 -5.075 1.00 3.44 C ATOM 409 OD1 ASP A 28 4.877 -12.184 -6.229 1.00 13.10 O ATOM 410 OD2 ASP A 28 6.132 -12.406 -4.452 1.00 53.43 O ATOM 0 H ASP A 28 6.647 -9.409 -4.066 1.00 20.30 H new ATOM 0 HA ASP A 28 4.768 -9.494 -6.208 1.00 74.13 H new ATOM 0 HB2 ASP A 28 4.805 -10.599 -3.366 1.00 54.23 H new ATOM 0 HB3 ASP A 28 3.425 -10.835 -4.420 1.00 54.23 H new ATOM 414 N LEU A 29 4.192 -7.278 -3.978 1.00 55.43 N ATOM 415 CA LEU A 29 3.349 -6.124 -3.721 1.00 52.21 C ATOM 416 C LEU A 29 3.579 -5.099 -4.820 1.00 51.04 C ATOM 417 O LEU A 29 2.608 -4.566 -5.353 1.00 35.22 O ATOM 418 CB LEU A 29 3.604 -5.538 -2.320 1.00 41.13 C ATOM 419 CG LEU A 29 3.190 -6.428 -1.122 1.00 23.10 C ATOM 420 CD1 LEU A 29 1.919 -7.250 -1.362 1.00 5.32 C ATOM 421 CD2 LEU A 29 4.282 -7.415 -0.711 1.00 2.34 C ATOM 0 H LEU A 29 5.111 -7.227 -3.539 1.00 55.43 H new ATOM 0 HA LEU A 29 2.302 -6.427 -3.733 1.00 52.21 H new ATOM 0 HB2 LEU A 29 4.667 -5.315 -2.230 1.00 41.13 H new ATOM 0 HB3 LEU A 29 3.072 -4.590 -2.243 1.00 41.13 H new ATOM 0 HG LEU A 29 3.007 -5.701 -0.331 1.00 23.10 H new ATOM 0 HD11 LEU A 29 1.698 -7.845 -0.476 1.00 5.32 H new ATOM 0 HD12 LEU A 29 1.085 -6.579 -1.566 1.00 5.32 H new ATOM 0 HD13 LEU A 29 2.069 -7.911 -2.215 1.00 5.32 H new ATOM 0 HD21 LEU A 29 3.935 -8.011 0.133 1.00 2.34 H new ATOM 0 HD22 LEU A 29 4.513 -8.072 -1.549 1.00 2.34 H new ATOM 0 HD23 LEU A 29 5.179 -6.866 -0.423 1.00 2.34 H new ATOM 432 N GLU A 30 4.836 -4.832 -5.191 1.00 44.25 N ATOM 433 CA GLU A 30 5.113 -3.819 -6.198 1.00 32.42 C ATOM 434 C GLU A 30 4.563 -4.224 -7.568 1.00 15.43 C ATOM 435 O GLU A 30 4.041 -3.378 -8.293 1.00 73.53 O ATOM 436 CB GLU A 30 6.607 -3.437 -6.210 1.00 61.33 C ATOM 437 CG GLU A 30 7.510 -4.158 -7.222 1.00 2.41 C ATOM 438 CD GLU A 30 8.941 -3.615 -7.226 1.00 53.23 C ATOM 439 OE1 GLU A 30 9.427 -3.106 -6.190 1.00 14.22 O ATOM 440 OE2 GLU A 30 9.606 -3.656 -8.285 1.00 72.24 O ATOM 0 H GLU A 30 5.661 -5.298 -4.813 1.00 44.25 H new ATOM 0 HA GLU A 30 4.578 -2.908 -5.929 1.00 32.42 H new ATOM 0 HB2 GLU A 30 6.680 -2.366 -6.396 1.00 61.33 H new ATOM 0 HB3 GLU A 30 7.009 -3.615 -5.213 1.00 61.33 H new ATOM 0 HG2 GLU A 30 7.530 -5.223 -6.991 1.00 2.41 H new ATOM 0 HG3 GLU A 30 7.084 -4.056 -8.220 1.00 2.41 H new ATOM 445 N GLU A 31 4.657 -5.513 -7.908 1.00 44.14 N ATOM 446 CA GLU A 31 4.210 -6.081 -9.174 1.00 60.31 C ATOM 447 C GLU A 31 2.699 -6.110 -9.300 1.00 23.13 C ATOM 448 O GLU A 31 2.181 -6.110 -10.422 1.00 1.22 O ATOM 449 CB GLU A 31 4.719 -7.521 -9.302 1.00 60.12 C ATOM 450 CG GLU A 31 6.104 -7.552 -9.943 1.00 60.43 C ATOM 451 CD GLU A 31 5.948 -7.456 -11.457 1.00 75.53 C ATOM 452 OE1 GLU A 31 5.719 -6.345 -11.990 1.00 31.44 O ATOM 453 OE2 GLU A 31 5.946 -8.524 -12.110 1.00 14.34 O ATOM 0 H GLU A 31 5.062 -6.211 -7.284 1.00 44.14 H new ATOM 0 HA GLU A 31 4.611 -5.443 -9.961 1.00 60.31 H new ATOM 0 HB2 GLU A 31 4.759 -7.986 -8.317 1.00 60.12 H new ATOM 0 HB3 GLU A 31 4.022 -8.106 -9.903 1.00 60.12 H new ATOM 0 HG2 GLU A 31 6.710 -6.725 -9.573 1.00 60.43 H new ATOM 0 HG3 GLU A 31 6.623 -8.472 -9.675 1.00 60.43 H new ATOM 458 N PHE A 32 1.995 -6.149 -8.170 1.00 73.51 N ATOM 459 CA PHE A 32 0.564 -5.926 -8.152 1.00 54.34 C ATOM 460 C PHE A 32 0.311 -4.513 -8.647 1.00 34.22 C ATOM 461 O PHE A 32 -0.266 -4.341 -9.718 1.00 13.43 O ATOM 462 CB PHE A 32 -0.024 -6.185 -6.767 1.00 64.35 C ATOM 463 CG PHE A 32 -1.533 -6.056 -6.700 1.00 4.21 C ATOM 464 CD1 PHE A 32 -2.338 -6.593 -7.725 1.00 4.12 C ATOM 465 CD2 PHE A 32 -2.144 -5.437 -5.594 1.00 64.52 C ATOM 466 CE1 PHE A 32 -3.731 -6.555 -7.622 1.00 12.33 C ATOM 467 CE2 PHE A 32 -3.546 -5.406 -5.488 1.00 34.33 C ATOM 468 CZ PHE A 32 -4.340 -5.987 -6.492 1.00 11.34 C ATOM 0 H PHE A 32 2.402 -6.335 -7.253 1.00 73.51 H new ATOM 0 HA PHE A 32 0.058 -6.630 -8.812 1.00 54.34 H new ATOM 0 HB2 PHE A 32 0.259 -7.188 -6.446 1.00 64.35 H new ATOM 0 HB3 PHE A 32 0.421 -5.486 -6.059 1.00 64.35 H new ATOM 0 HD1 PHE A 32 -1.876 -7.036 -8.595 1.00 4.12 H new ATOM 0 HD2 PHE A 32 -1.535 -4.985 -4.825 1.00 64.52 H new ATOM 0 HE1 PHE A 32 -4.341 -6.964 -8.414 1.00 12.33 H new ATOM 0 HE2 PHE A 32 -4.013 -4.936 -4.635 1.00 34.33 H new ATOM 0 HZ PHE A 32 -5.416 -5.996 -6.394 1.00 11.34 H new ATOM 477 N PHE A 33 0.790 -3.518 -7.901 1.00 34.43 N ATOM 478 CA PHE A 33 0.434 -2.123 -8.097 1.00 75.21 C ATOM 479 C PHE A 33 0.869 -1.559 -9.454 1.00 51.32 C ATOM 480 O PHE A 33 0.205 -0.654 -9.967 1.00 12.14 O ATOM 481 CB PHE A 33 1.030 -1.300 -6.949 1.00 4.33 C ATOM 482 CG PHE A 33 0.608 -1.669 -5.534 1.00 4.42 C ATOM 483 CD1 PHE A 33 -0.710 -2.083 -5.246 1.00 53.44 C ATOM 484 CD2 PHE A 33 1.502 -1.445 -4.470 1.00 12.14 C ATOM 485 CE1 PHE A 33 -1.159 -2.176 -3.922 1.00 34.22 C ATOM 486 CE2 PHE A 33 1.063 -1.578 -3.143 1.00 63.21 C ATOM 487 CZ PHE A 33 -0.277 -1.897 -2.871 1.00 61.43 C ATOM 0 H PHE A 33 1.445 -3.666 -7.134 1.00 34.43 H new ATOM 0 HA PHE A 33 -0.654 -2.057 -8.095 1.00 75.21 H new ATOM 0 HB2 PHE A 33 2.116 -1.376 -7.008 1.00 4.33 H new ATOM 0 HB3 PHE A 33 0.774 -0.254 -7.115 1.00 4.33 H new ATOM 0 HD1 PHE A 33 -1.380 -2.331 -6.056 1.00 53.44 H new ATOM 0 HD2 PHE A 33 2.526 -1.171 -4.675 1.00 12.14 H new ATOM 0 HE1 PHE A 33 -2.180 -2.461 -3.713 1.00 34.22 H new ATOM 0 HE2 PHE A 33 1.758 -1.434 -2.329 1.00 63.21 H new ATOM 0 HZ PHE A 33 -0.628 -1.927 -1.850 1.00 61.43 H new ATOM 496 N SER A 34 1.933 -2.073 -10.082 1.00 52.43 N ATOM 497 CA SER A 34 2.307 -1.634 -11.426 1.00 11.02 C ATOM 498 C SER A 34 1.290 -2.035 -12.508 1.00 13.10 C ATOM 499 O SER A 34 1.423 -1.592 -13.647 1.00 40.32 O ATOM 500 CB SER A 34 3.749 -2.025 -11.776 1.00 15.40 C ATOM 501 OG SER A 34 4.123 -3.294 -11.278 1.00 63.22 O ATOM 0 H SER A 34 2.543 -2.786 -9.683 1.00 52.43 H new ATOM 0 HA SER A 34 2.277 -0.545 -11.409 1.00 11.02 H new ATOM 0 HB2 SER A 34 3.866 -2.019 -12.860 1.00 15.40 H new ATOM 0 HB3 SER A 34 4.429 -1.272 -11.378 1.00 15.40 H new ATOM 0 HG SER A 34 5.049 -3.486 -11.534 1.00 63.22 H new ATOM 506 N THR A 35 0.225 -2.776 -12.177 1.00 73.41 N ATOM 507 CA THR A 35 -0.925 -2.925 -13.064 1.00 40.11 C ATOM 508 C THR A 35 -1.500 -1.549 -13.460 1.00 44.01 C ATOM 509 O THR A 35 -2.018 -1.398 -14.566 1.00 73.43 O ATOM 510 CB THR A 35 -1.947 -3.893 -12.430 1.00 42.14 C ATOM 511 OG1 THR A 35 -2.890 -4.342 -13.375 1.00 21.30 O ATOM 512 CG2 THR A 35 -2.711 -3.323 -11.236 1.00 23.52 C ATOM 0 H THR A 35 0.140 -3.282 -11.296 1.00 73.41 H new ATOM 0 HA THR A 35 -0.619 -3.379 -14.007 1.00 40.11 H new ATOM 0 HB THR A 35 -1.333 -4.717 -12.067 1.00 42.14 H new ATOM 0 HG1 THR A 35 -3.521 -4.954 -12.942 1.00 21.30 H new ATOM 0 HG21 THR A 35 -3.405 -4.073 -10.857 1.00 23.52 H new ATOM 0 HG22 THR A 35 -2.007 -3.050 -10.450 1.00 23.52 H new ATOM 0 HG23 THR A 35 -3.267 -2.439 -11.548 1.00 23.52 H new ATOM 520 N VAL A 36 -1.346 -0.520 -12.615 1.00 71.22 N ATOM 521 CA VAL A 36 -1.919 0.810 -12.820 1.00 20.42 C ATOM 522 C VAL A 36 -0.922 1.905 -12.408 1.00 72.21 C ATOM 523 O VAL A 36 -1.276 2.914 -11.783 1.00 51.01 O ATOM 524 CB VAL A 36 -3.300 0.899 -12.130 1.00 34.34 C ATOM 525 CG1 VAL A 36 -4.361 0.075 -12.873 1.00 62.01 C ATOM 526 CG2 VAL A 36 -3.252 0.454 -10.663 1.00 31.30 C ATOM 0 H VAL A 36 -0.807 -0.595 -11.752 1.00 71.22 H new ATOM 0 HA VAL A 36 -2.102 0.983 -13.881 1.00 20.42 H new ATOM 0 HB VAL A 36 -3.578 1.953 -12.161 1.00 34.34 H new ATOM 0 HG11 VAL A 36 -5.317 0.163 -12.357 1.00 62.01 H new ATOM 0 HG12 VAL A 36 -4.463 0.447 -13.892 1.00 62.01 H new ATOM 0 HG13 VAL A 36 -4.057 -0.972 -12.898 1.00 62.01 H new ATOM 0 HG21 VAL A 36 -4.247 0.536 -10.225 1.00 31.30 H new ATOM 0 HG22 VAL A 36 -2.915 -0.581 -10.608 1.00 31.30 H new ATOM 0 HG23 VAL A 36 -2.560 1.091 -10.112 1.00 31.30 H new ATOM 536 N GLY A 37 0.346 1.739 -12.794 1.00 41.31 N ATOM 537 CA GLY A 37 1.402 2.728 -12.626 1.00 72.54 C ATOM 538 C GLY A 37 2.737 2.037 -12.463 1.00 71.42 C ATOM 539 O GLY A 37 3.009 1.053 -13.146 1.00 40.31 O ATOM 0 H GLY A 37 0.671 0.884 -13.246 1.00 41.31 H new ATOM 0 HA2 GLY A 37 1.430 3.392 -13.490 1.00 72.54 H new ATOM 0 HA3 GLY A 37 1.195 3.348 -11.754 1.00 72.54 H new ATOM 543 N LYS A 38 3.592 2.563 -11.591 1.00 22.33 N ATOM 544 CA LYS A 38 4.862 1.945 -11.245 1.00 64.42 C ATOM 545 C LYS A 38 5.174 2.282 -9.793 1.00 3.12 C ATOM 546 O LYS A 38 4.656 3.262 -9.271 1.00 60.34 O ATOM 547 CB LYS A 38 5.974 2.400 -12.210 1.00 43.13 C ATOM 548 CG LYS A 38 5.945 3.904 -12.528 1.00 61.45 C ATOM 549 CD LYS A 38 7.229 4.448 -13.148 1.00 55.24 C ATOM 550 CE LYS A 38 7.541 3.964 -14.570 1.00 4.30 C ATOM 551 NZ LYS A 38 8.017 2.570 -14.655 1.00 61.55 N ATOM 0 H LYS A 38 3.418 3.440 -11.101 1.00 22.33 H new ATOM 0 HA LYS A 38 4.801 0.862 -11.348 1.00 64.42 H new ATOM 0 HB2 LYS A 38 6.942 2.149 -11.777 1.00 43.13 H new ATOM 0 HB3 LYS A 38 5.886 1.840 -13.141 1.00 43.13 H new ATOM 0 HG2 LYS A 38 5.117 4.102 -13.208 1.00 61.45 H new ATOM 0 HG3 LYS A 38 5.741 4.452 -11.608 1.00 61.45 H new ATOM 0 HD2 LYS A 38 7.172 5.536 -13.159 1.00 55.24 H new ATOM 0 HD3 LYS A 38 8.064 4.179 -12.502 1.00 55.24 H new ATOM 0 HE2 LYS A 38 6.643 4.065 -15.179 1.00 4.30 H new ATOM 0 HE3 LYS A 38 8.296 4.619 -15.005 1.00 4.30 H new ATOM 0 HZ1 LYS A 38 8.708 2.486 -15.428 1.00 61.55 H new ATOM 0 HZ2 LYS A 38 8.468 2.302 -13.757 1.00 61.55 H new ATOM 0 HZ3 LYS A 38 7.211 1.939 -14.840 1.00 61.55 H new ATOM 561 N VAL A 39 6.006 1.498 -9.122 1.00 33.33 N ATOM 562 CA VAL A 39 6.355 1.764 -7.730 1.00 53.01 C ATOM 563 C VAL A 39 7.619 2.626 -7.684 1.00 14.44 C ATOM 564 O VAL A 39 8.317 2.778 -8.688 1.00 44.41 O ATOM 565 CB VAL A 39 6.408 0.421 -6.981 1.00 12.10 C ATOM 566 CG1 VAL A 39 6.963 0.544 -5.564 1.00 22.41 C ATOM 567 CG2 VAL A 39 4.972 -0.122 -6.882 1.00 22.23 C ATOM 0 H VAL A 39 6.453 0.671 -9.518 1.00 33.33 H new ATOM 0 HA VAL A 39 5.607 2.357 -7.204 1.00 53.01 H new ATOM 0 HB VAL A 39 7.073 -0.240 -7.537 1.00 12.10 H new ATOM 0 HG11 VAL A 39 6.974 -0.438 -5.091 1.00 22.41 H new ATOM 0 HG12 VAL A 39 7.978 0.939 -5.604 1.00 22.41 H new ATOM 0 HG13 VAL A 39 6.334 1.219 -4.984 1.00 22.41 H new ATOM 0 HG21 VAL A 39 4.979 -1.076 -6.354 1.00 22.23 H new ATOM 0 HG22 VAL A 39 4.351 0.589 -6.338 1.00 22.23 H new ATOM 0 HG23 VAL A 39 4.567 -0.265 -7.884 1.00 22.23 H new ATOM 577 N ARG A 40 7.889 3.240 -6.528 1.00 11.10 N ATOM 578 CA ARG A 40 9.029 4.113 -6.293 1.00 0.42 C ATOM 579 C ARG A 40 9.896 3.609 -5.131 1.00 25.14 C ATOM 580 O ARG A 40 11.111 3.779 -5.225 1.00 12.01 O ATOM 581 CB ARG A 40 8.499 5.547 -6.127 1.00 50.15 C ATOM 582 CG ARG A 40 9.590 6.617 -6.283 1.00 72.32 C ATOM 583 CD ARG A 40 8.990 7.979 -6.676 1.00 52.13 C ATOM 584 NE ARG A 40 9.866 9.100 -6.305 1.00 4.03 N ATOM 585 CZ ARG A 40 10.843 9.666 -7.024 1.00 71.12 C ATOM 586 NH1 ARG A 40 11.155 9.251 -8.244 1.00 51.41 N ATOM 587 NH2 ARG A 40 11.517 10.671 -6.485 1.00 42.02 N ATOM 0 H ARG A 40 7.295 3.135 -5.705 1.00 11.10 H new ATOM 0 HA ARG A 40 9.710 4.108 -7.144 1.00 0.42 H new ATOM 0 HB2 ARG A 40 7.716 5.726 -6.864 1.00 50.15 H new ATOM 0 HB3 ARG A 40 8.040 5.646 -5.143 1.00 50.15 H new ATOM 0 HG2 ARG A 40 10.140 6.717 -5.347 1.00 72.32 H new ATOM 0 HG3 ARG A 40 10.306 6.301 -7.042 1.00 72.32 H new ATOM 0 HD2 ARG A 40 8.813 7.999 -7.751 1.00 52.13 H new ATOM 0 HD3 ARG A 40 8.022 8.101 -6.191 1.00 52.13 H new ATOM 0 HE ARG A 40 9.709 9.498 -5.379 1.00 4.03 H new ATOM 0 HH11 ARG A 40 10.644 8.475 -8.665 1.00 51.41 H new ATOM 0 HH12 ARG A 40 11.906 9.707 -8.761 1.00 51.41 H new ATOM 0 HH21 ARG A 40 11.286 10.994 -5.545 1.00 42.02 H new ATOM 0 HH22 ARG A 40 12.267 11.122 -7.009 1.00 42.02 H new ATOM 598 N ASP A 41 9.350 2.942 -4.106 1.00 54.25 N ATOM 599 CA ASP A 41 10.093 2.062 -3.177 1.00 50.41 C ATOM 600 C ASP A 41 9.094 1.183 -2.405 1.00 52.45 C ATOM 601 O ASP A 41 7.883 1.386 -2.514 1.00 31.41 O ATOM 602 CB ASP A 41 10.990 2.862 -2.203 1.00 4.24 C ATOM 603 CG ASP A 41 11.951 1.991 -1.376 1.00 25.51 C ATOM 604 OD1 ASP A 41 12.241 0.843 -1.770 1.00 44.41 O ATOM 605 OD2 ASP A 41 12.461 2.466 -0.338 1.00 21.43 O ATOM 0 H ASP A 41 8.355 2.997 -3.889 1.00 54.25 H new ATOM 0 HA ASP A 41 10.760 1.431 -3.765 1.00 50.41 H new ATOM 0 HB2 ASP A 41 11.572 3.586 -2.773 1.00 4.24 H new ATOM 0 HB3 ASP A 41 10.354 3.429 -1.523 1.00 4.24 H new ATOM 609 N VAL A 42 9.575 0.213 -1.626 1.00 43.04 N ATOM 610 CA VAL A 42 8.797 -0.741 -0.852 1.00 33.40 C ATOM 611 C VAL A 42 9.398 -0.810 0.559 1.00 3.00 C ATOM 612 O VAL A 42 10.593 -1.094 0.701 1.00 21.30 O ATOM 613 CB VAL A 42 8.831 -2.128 -1.545 1.00 70.24 C ATOM 614 CG1 VAL A 42 7.797 -3.065 -0.909 1.00 10.13 C ATOM 615 CG2 VAL A 42 8.601 -2.104 -3.065 1.00 32.50 C ATOM 0 H VAL A 42 10.579 0.068 -1.516 1.00 43.04 H new ATOM 0 HA VAL A 42 7.754 -0.430 -0.786 1.00 33.40 H new ATOM 0 HB VAL A 42 9.849 -2.488 -1.392 1.00 70.24 H new ATOM 0 HG11 VAL A 42 7.831 -4.035 -1.405 1.00 10.13 H new ATOM 0 HG12 VAL A 42 8.023 -3.191 0.150 1.00 10.13 H new ATOM 0 HG13 VAL A 42 6.801 -2.636 -1.019 1.00 10.13 H new ATOM 0 HG21 VAL A 42 8.644 -3.121 -3.456 1.00 32.50 H new ATOM 0 HG22 VAL A 42 7.622 -1.674 -3.278 1.00 32.50 H new ATOM 0 HG23 VAL A 42 9.374 -1.500 -3.540 1.00 32.50 H new ATOM 625 N ARG A 43 8.597 -0.606 1.609 1.00 65.44 N ATOM 626 CA ARG A 43 8.961 -0.842 3.012 1.00 45.21 C ATOM 627 C ARG A 43 8.348 -2.154 3.495 1.00 4.35 C ATOM 628 O ARG A 43 7.574 -2.778 2.767 1.00 71.54 O ATOM 629 CB ARG A 43 8.457 0.344 3.866 1.00 72.12 C ATOM 630 CG ARG A 43 9.600 1.200 4.412 1.00 13.33 C ATOM 631 CD ARG A 43 10.417 1.879 3.307 1.00 74.53 C ATOM 632 NE ARG A 43 11.481 2.678 3.925 1.00 41.10 N ATOM 633 CZ ARG A 43 11.299 3.915 4.391 1.00 61.10 C ATOM 634 NH1 ARG A 43 10.392 4.713 3.835 1.00 63.51 N ATOM 635 NH2 ARG A 43 11.999 4.312 5.448 1.00 1.15 N ATOM 0 H ARG A 43 7.643 -0.260 1.503 1.00 65.44 H new ATOM 0 HA ARG A 43 10.044 -0.918 3.108 1.00 45.21 H new ATOM 0 HB2 ARG A 43 7.797 0.967 3.263 1.00 72.12 H new ATOM 0 HB3 ARG A 43 7.864 -0.037 4.697 1.00 72.12 H new ATOM 0 HG2 ARG A 43 9.191 1.962 5.075 1.00 13.33 H new ATOM 0 HG3 ARG A 43 10.260 0.575 5.013 1.00 13.33 H new ATOM 0 HD2 ARG A 43 10.846 1.130 2.641 1.00 74.53 H new ATOM 0 HD3 ARG A 43 9.773 2.515 2.699 1.00 74.53 H new ATOM 0 HE ARG A 43 12.411 2.265 4.003 1.00 41.10 H new ATOM 0 HH11 ARG A 43 9.833 4.380 3.050 1.00 63.51 H new ATOM 0 HH12 ARG A 43 10.256 5.658 4.194 1.00 63.51 H new ATOM 0 HH21 ARG A 43 12.662 3.675 5.889 1.00 1.15 H new ATOM 0 HH22 ARG A 43 11.873 5.254 5.818 1.00 1.15 H new ATOM 646 N MET A 44 8.662 -2.562 4.729 1.00 44.42 N ATOM 647 CA MET A 44 7.921 -3.536 5.522 1.00 51.03 C ATOM 648 C MET A 44 8.394 -3.474 6.974 1.00 24.53 C ATOM 649 O MET A 44 9.552 -3.136 7.226 1.00 65.32 O ATOM 650 CB MET A 44 8.136 -4.948 4.980 1.00 73.33 C ATOM 651 CG MET A 44 9.616 -5.345 4.926 1.00 11.05 C ATOM 652 SD MET A 44 9.934 -7.076 4.533 1.00 53.00 S ATOM 653 CE MET A 44 9.200 -7.079 2.886 1.00 65.52 C ATOM 0 H MET A 44 9.480 -2.202 5.221 1.00 44.42 H new ATOM 0 HA MET A 44 6.859 -3.297 5.465 1.00 51.03 H new ATOM 0 HB2 MET A 44 7.597 -5.659 5.606 1.00 73.33 H new ATOM 0 HB3 MET A 44 7.709 -5.017 3.979 1.00 73.33 H new ATOM 0 HG2 MET A 44 10.115 -4.723 4.183 1.00 11.05 H new ATOM 0 HG3 MET A 44 10.072 -5.118 5.890 1.00 11.05 H new ATOM 0 HE1 MET A 44 9.428 -8.021 2.388 1.00 65.52 H new ATOM 0 HE2 MET A 44 8.119 -6.965 2.969 1.00 65.52 H new ATOM 0 HE3 MET A 44 9.608 -6.253 2.304 1.00 65.52 H new ATOM 661 N ILE A 45 7.549 -3.875 7.925 1.00 24.23 N ATOM 662 CA ILE A 45 7.821 -3.714 9.352 1.00 52.42 C ATOM 663 C ILE A 45 7.763 -5.079 10.053 1.00 64.21 C ATOM 664 O ILE A 45 6.701 -5.540 10.480 1.00 2.22 O ATOM 665 CB ILE A 45 6.890 -2.655 9.980 1.00 12.11 C ATOM 666 CG1 ILE A 45 6.880 -1.302 9.234 1.00 63.50 C ATOM 667 CG2 ILE A 45 7.304 -2.374 11.431 1.00 5.22 C ATOM 668 CD1 ILE A 45 5.750 -1.181 8.214 1.00 10.12 C ATOM 0 H ILE A 45 6.654 -4.322 7.725 1.00 24.23 H new ATOM 0 HA ILE A 45 8.832 -3.331 9.490 1.00 52.42 H new ATOM 0 HB ILE A 45 5.890 -3.085 9.916 1.00 12.11 H new ATOM 0 HG12 ILE A 45 6.791 -0.495 9.961 1.00 63.50 H new ATOM 0 HG13 ILE A 45 7.835 -1.169 8.725 1.00 63.50 H new ATOM 0 HG21 ILE A 45 6.639 -1.625 11.861 1.00 5.22 H new ATOM 0 HG22 ILE A 45 7.239 -3.294 12.012 1.00 5.22 H new ATOM 0 HG23 ILE A 45 8.329 -2.003 11.452 1.00 5.22 H new ATOM 0 HD11 ILE A 45 5.802 -0.207 7.727 1.00 10.12 H new ATOM 0 HD12 ILE A 45 5.850 -1.967 7.465 1.00 10.12 H new ATOM 0 HD13 ILE A 45 4.790 -1.283 8.721 1.00 10.12 H new ATOM 814 N GLY A 55 1.840 -8.288 9.510 1.00 32.32 N ATOM 815 CA GLY A 55 1.815 -8.264 8.054 1.00 1.01 C ATOM 816 C GLY A 55 1.536 -6.841 7.592 1.00 13.12 C ATOM 817 O GLY A 55 0.432 -6.544 7.130 1.00 33.53 O ATOM 0 HA2 GLY A 55 2.768 -8.611 7.654 1.00 1.01 H new ATOM 0 HA3 GLY A 55 1.047 -8.940 7.678 1.00 1.01 H new ATOM 821 N ILE A 56 2.528 -5.970 7.781 1.00 54.21 N ATOM 822 CA ILE A 56 2.418 -4.531 7.646 1.00 43.23 C ATOM 823 C ILE A 56 3.552 -4.006 6.771 1.00 25.25 C ATOM 824 O ILE A 56 4.736 -4.165 7.077 1.00 1.43 O ATOM 825 CB ILE A 56 2.335 -3.829 9.020 1.00 54.42 C ATOM 826 CG1 ILE A 56 3.314 -4.416 10.057 1.00 30.14 C ATOM 827 CG2 ILE A 56 0.885 -3.899 9.530 1.00 10.22 C ATOM 828 CD1 ILE A 56 3.546 -3.479 11.247 1.00 33.23 C ATOM 0 H ILE A 56 3.467 -6.269 8.043 1.00 54.21 H new ATOM 0 HA ILE A 56 1.480 -4.293 7.145 1.00 43.23 H new ATOM 0 HB ILE A 56 2.635 -2.790 8.885 1.00 54.42 H new ATOM 0 HG12 ILE A 56 2.925 -5.368 10.419 1.00 30.14 H new ATOM 0 HG13 ILE A 56 4.268 -4.625 9.573 1.00 30.14 H new ATOM 0 HG21 ILE A 56 0.816 -3.406 10.500 1.00 10.22 H new ATOM 0 HG22 ILE A 56 0.225 -3.399 8.821 1.00 10.22 H new ATOM 0 HG23 ILE A 56 0.585 -4.942 9.631 1.00 10.22 H new ATOM 0 HD11 ILE A 56 4.243 -3.943 11.945 1.00 33.23 H new ATOM 0 HD12 ILE A 56 3.962 -2.536 10.892 1.00 33.23 H new ATOM 0 HD13 ILE A 56 2.599 -3.291 11.752 1.00 33.23 H new ATOM 839 N ALA A 57 3.176 -3.326 5.693 1.00 50.30 N ATOM 840 CA ALA A 57 4.086 -2.595 4.829 1.00 30.13 C ATOM 841 C ALA A 57 3.406 -1.339 4.309 1.00 2.15 C ATOM 842 O ALA A 57 2.195 -1.316 4.113 1.00 22.22 O ATOM 843 CB ALA A 57 4.530 -3.473 3.657 1.00 70.14 C ATOM 0 H ALA A 57 2.203 -3.269 5.391 1.00 50.30 H new ATOM 0 HA ALA A 57 4.967 -2.313 5.406 1.00 30.13 H new ATOM 0 HB1 ALA A 57 5.212 -2.911 3.019 1.00 70.14 H new ATOM 0 HB2 ALA A 57 5.038 -4.359 4.038 1.00 70.14 H new ATOM 0 HB3 ALA A 57 3.657 -3.776 3.078 1.00 70.14 H new ATOM 849 N TYR A 58 4.211 -0.321 4.041 1.00 22.23 N ATOM 850 CA TYR A 58 3.895 0.822 3.200 1.00 22.11 C ATOM 851 C TYR A 58 4.703 0.623 1.928 1.00 2.41 C ATOM 852 O TYR A 58 5.732 -0.057 1.947 1.00 13.43 O ATOM 853 CB TYR A 58 4.307 2.116 3.923 1.00 2.15 C ATOM 854 CG TYR A 58 3.539 2.355 5.209 1.00 54.11 C ATOM 855 CD1 TYR A 58 3.919 1.692 6.388 1.00 11.24 C ATOM 856 CD2 TYR A 58 2.400 3.175 5.207 1.00 5.02 C ATOM 857 CE1 TYR A 58 3.126 1.778 7.545 1.00 13.31 C ATOM 858 CE2 TYR A 58 1.613 3.295 6.366 1.00 70.52 C ATOM 859 CZ TYR A 58 1.951 2.564 7.527 1.00 45.33 C ATOM 860 OH TYR A 58 1.098 2.560 8.587 1.00 44.33 O ATOM 0 H TYR A 58 5.154 -0.269 4.426 1.00 22.23 H new ATOM 0 HA TYR A 58 2.831 0.902 2.979 1.00 22.11 H new ATOM 0 HB2 TYR A 58 5.373 2.075 4.147 1.00 2.15 H new ATOM 0 HB3 TYR A 58 4.154 2.963 3.254 1.00 2.15 H new ATOM 0 HD1 TYR A 58 4.829 1.111 6.405 1.00 11.24 H new ATOM 0 HD2 TYR A 58 2.127 3.715 4.313 1.00 5.02 H new ATOM 0 HE1 TYR A 58 3.412 1.248 8.441 1.00 13.31 H new ATOM 0 HE2 TYR A 58 0.751 3.945 6.369 1.00 70.52 H new ATOM 0 HH TYR A 58 0.585 1.725 8.591 1.00 44.33 H new ATOM 869 N VAL A 59 4.230 1.206 0.834 1.00 31.31 N ATOM 870 CA VAL A 59 4.848 1.062 -0.472 1.00 33.34 C ATOM 871 C VAL A 59 4.734 2.436 -1.114 1.00 50.13 C ATOM 872 O VAL A 59 3.624 2.951 -1.281 1.00 14.22 O ATOM 873 CB VAL A 59 4.175 -0.085 -1.268 1.00 22.10 C ATOM 874 CG1 VAL A 59 5.048 -0.481 -2.463 1.00 11.01 C ATOM 875 CG2 VAL A 59 3.921 -1.367 -0.449 1.00 70.51 C ATOM 0 H VAL A 59 3.399 1.797 0.831 1.00 31.31 H new ATOM 0 HA VAL A 59 5.897 0.767 -0.431 1.00 33.34 H new ATOM 0 HB VAL A 59 3.209 0.317 -1.573 1.00 22.10 H new ATOM 0 HG11 VAL A 59 4.565 -1.288 -3.015 1.00 11.01 H new ATOM 0 HG12 VAL A 59 5.179 0.380 -3.119 1.00 11.01 H new ATOM 0 HG13 VAL A 59 6.022 -0.817 -2.107 1.00 11.01 H new ATOM 0 HG21 VAL A 59 3.448 -2.116 -1.084 1.00 70.51 H new ATOM 0 HG22 VAL A 59 4.869 -1.754 -0.076 1.00 70.51 H new ATOM 0 HG23 VAL A 59 3.266 -1.138 0.392 1.00 70.51 H new ATOM 885 N GLU A 60 5.861 3.068 -1.421 1.00 65.11 N ATOM 886 CA GLU A 60 5.938 4.420 -1.957 1.00 34.23 C ATOM 887 C GLU A 60 5.712 4.360 -3.472 1.00 41.33 C ATOM 888 O GLU A 60 6.424 3.631 -4.160 1.00 72.44 O ATOM 889 CB GLU A 60 7.321 5.011 -1.624 1.00 4.01 C ATOM 890 CG GLU A 60 7.504 5.381 -0.136 1.00 63.25 C ATOM 891 CD GLU A 60 8.945 5.180 0.365 1.00 62.31 C ATOM 892 OE1 GLU A 60 9.901 5.719 -0.247 1.00 5.43 O ATOM 893 OE2 GLU A 60 9.139 4.441 1.356 1.00 4.42 O ATOM 0 H GLU A 60 6.778 2.637 -1.299 1.00 65.11 H new ATOM 0 HA GLU A 60 5.174 5.059 -1.514 1.00 34.23 H new ATOM 0 HB2 GLU A 60 8.090 4.292 -1.906 1.00 4.01 H new ATOM 0 HB3 GLU A 60 7.480 5.902 -2.232 1.00 4.01 H new ATOM 0 HG2 GLU A 60 7.217 6.422 0.011 1.00 63.25 H new ATOM 0 HG3 GLU A 60 6.828 4.776 0.468 1.00 63.25 H new ATOM 898 N PHE A 61 4.718 5.072 -4.005 1.00 41.13 N ATOM 899 CA PHE A 61 4.442 5.114 -5.439 1.00 72.53 C ATOM 900 C PHE A 61 5.081 6.336 -6.090 1.00 33.11 C ATOM 901 O PHE A 61 5.702 7.175 -5.430 1.00 25.32 O ATOM 902 CB PHE A 61 2.925 5.099 -5.654 1.00 72.21 C ATOM 903 CG PHE A 61 2.454 4.314 -6.854 1.00 11.34 C ATOM 904 CD1 PHE A 61 2.601 2.924 -6.823 1.00 71.45 C ATOM 905 CD2 PHE A 61 1.820 4.928 -7.948 1.00 33.24 C ATOM 906 CE1 PHE A 61 2.171 2.139 -7.906 1.00 20.20 C ATOM 907 CE2 PHE A 61 1.363 4.145 -9.023 1.00 21.14 C ATOM 908 CZ PHE A 61 1.552 2.750 -9.009 1.00 60.13 C ATOM 0 H PHE A 61 4.078 5.639 -3.449 1.00 41.13 H new ATOM 0 HA PHE A 61 4.881 4.237 -5.915 1.00 72.53 H new ATOM 0 HB2 PHE A 61 2.452 4.688 -4.762 1.00 72.21 H new ATOM 0 HB3 PHE A 61 2.578 6.127 -5.754 1.00 72.21 H new ATOM 0 HD1 PHE A 61 3.048 2.451 -5.961 1.00 71.45 H new ATOM 0 HD2 PHE A 61 1.684 5.999 -7.963 1.00 33.24 H new ATOM 0 HE1 PHE A 61 2.316 1.069 -7.890 1.00 20.20 H new ATOM 0 HE2 PHE A 61 0.867 4.614 -9.860 1.00 21.14 H new ATOM 0 HZ PHE A 61 1.222 2.151 -9.845 1.00 60.13 H new ATOM 917 N VAL A 62 4.941 6.404 -7.411 1.00 64.54 N ATOM 918 CA VAL A 62 5.460 7.449 -8.281 1.00 72.41 C ATOM 919 C VAL A 62 4.519 8.647 -8.394 1.00 41.22 C ATOM 920 O VAL A 62 4.923 9.760 -8.714 1.00 22.31 O ATOM 921 CB VAL A 62 5.684 6.797 -9.646 1.00 61.34 C ATOM 922 CG1 VAL A 62 6.833 5.781 -9.511 1.00 53.01 C ATOM 923 CG2 VAL A 62 4.396 6.267 -10.283 1.00 72.43 C ATOM 0 H VAL A 62 4.432 5.689 -7.930 1.00 64.54 H new ATOM 0 HA VAL A 62 6.385 7.852 -7.868 1.00 72.41 H new ATOM 0 HB VAL A 62 5.995 7.545 -10.375 1.00 61.34 H new ATOM 0 HG11 VAL A 62 7.011 5.303 -10.474 1.00 53.01 H new ATOM 0 HG12 VAL A 62 7.738 6.296 -9.189 1.00 53.01 H new ATOM 0 HG13 VAL A 62 6.565 5.024 -8.774 1.00 53.01 H new ATOM 0 HG21 VAL A 62 4.626 5.817 -11.249 1.00 72.43 H new ATOM 0 HG22 VAL A 62 3.949 5.517 -9.631 1.00 72.43 H new ATOM 0 HG23 VAL A 62 3.695 7.089 -10.424 1.00 72.43 H new ATOM 933 N ASP A 63 3.241 8.408 -8.160 1.00 1.03 N ATOM 934 CA ASP A 63 2.161 9.386 -8.224 1.00 10.30 C ATOM 935 C ASP A 63 1.250 9.288 -7.008 1.00 42.43 C ATOM 936 O ASP A 63 1.403 8.387 -6.187 1.00 22.31 O ATOM 937 CB ASP A 63 1.320 9.180 -9.492 1.00 51.43 C ATOM 938 CG ASP A 63 0.664 10.493 -9.904 1.00 51.44 C ATOM 939 OD1 ASP A 63 1.403 11.478 -10.115 1.00 11.42 O ATOM 940 OD2 ASP A 63 -0.584 10.528 -9.983 1.00 43.33 O ATOM 0 H ASP A 63 2.907 7.478 -7.906 1.00 1.03 H new ATOM 0 HA ASP A 63 2.622 10.374 -8.243 1.00 10.30 H new ATOM 0 HB2 ASP A 63 1.951 8.810 -10.300 1.00 51.43 H new ATOM 0 HB3 ASP A 63 0.556 8.423 -9.312 1.00 51.43 H new ATOM 944 N VAL A 64 0.255 10.167 -6.924 1.00 32.10 N ATOM 945 CA VAL A 64 -0.809 10.125 -5.926 1.00 1.51 C ATOM 946 C VAL A 64 -2.106 9.551 -6.508 1.00 70.11 C ATOM 947 O VAL A 64 -2.917 8.992 -5.774 1.00 23.44 O ATOM 948 CB VAL A 64 -0.999 11.546 -5.367 1.00 63.31 C ATOM 949 CG1 VAL A 64 -1.277 12.595 -6.464 1.00 72.21 C ATOM 950 CG2 VAL A 64 -2.094 11.610 -4.298 1.00 22.30 C ATOM 0 H VAL A 64 0.165 10.952 -7.569 1.00 32.10 H new ATOM 0 HA VAL A 64 -0.530 9.454 -5.113 1.00 1.51 H new ATOM 0 HB VAL A 64 -0.045 11.796 -4.902 1.00 63.31 H new ATOM 0 HG11 VAL A 64 -1.402 13.576 -6.006 1.00 72.21 H new ATOM 0 HG12 VAL A 64 -0.439 12.624 -7.161 1.00 72.21 H new ATOM 0 HG13 VAL A 64 -2.187 12.327 -7.001 1.00 72.21 H new ATOM 0 HG21 VAL A 64 -2.189 12.634 -3.935 1.00 22.30 H new ATOM 0 HG22 VAL A 64 -3.042 11.288 -4.729 1.00 22.30 H new ATOM 0 HG23 VAL A 64 -1.831 10.954 -3.468 1.00 22.30 H new ATOM 960 N SER A 65 -2.335 9.676 -7.815 1.00 43.32 N ATOM 961 CA SER A 65 -3.651 9.430 -8.390 1.00 4.11 C ATOM 962 C SER A 65 -4.059 7.958 -8.309 1.00 73.33 C ATOM 963 O SER A 65 -5.263 7.682 -8.318 1.00 65.04 O ATOM 964 CB SER A 65 -3.695 9.954 -9.830 1.00 42.31 C ATOM 965 OG SER A 65 -3.088 11.235 -9.924 1.00 3.31 O ATOM 0 H SER A 65 -1.623 9.947 -8.494 1.00 43.32 H new ATOM 0 HA SER A 65 -4.385 9.975 -7.796 1.00 4.11 H new ATOM 0 HB2 SER A 65 -3.182 9.255 -10.491 1.00 42.31 H new ATOM 0 HB3 SER A 65 -4.730 10.012 -10.168 1.00 42.31 H new ATOM 0 HG SER A 65 -2.127 11.131 -10.083 1.00 3.31 H new ATOM 970 N SER A 66 -3.108 7.027 -8.174 1.00 54.31 N ATOM 971 CA SER A 66 -3.426 5.630 -7.937 1.00 70.02 C ATOM 972 C SER A 66 -3.590 5.291 -6.442 1.00 71.44 C ATOM 973 O SER A 66 -4.023 4.179 -6.157 1.00 51.32 O ATOM 974 CB SER A 66 -2.366 4.733 -8.594 1.00 41.13 C ATOM 975 OG SER A 66 -2.133 5.084 -9.952 1.00 12.42 O ATOM 0 H SER A 66 -2.109 7.226 -8.227 1.00 54.31 H new ATOM 0 HA SER A 66 -4.396 5.439 -8.395 1.00 70.02 H new ATOM 0 HB2 SER A 66 -1.433 4.808 -8.036 1.00 41.13 H new ATOM 0 HB3 SER A 66 -2.688 3.693 -8.539 1.00 41.13 H new ATOM 0 HG SER A 66 -1.840 4.292 -10.449 1.00 12.42 H new ATOM 980 N VAL A 67 -3.269 6.153 -5.460 1.00 74.34 N ATOM 981 CA VAL A 67 -3.403 5.843 -4.020 1.00 54.53 C ATOM 982 C VAL A 67 -4.819 5.299 -3.729 1.00 63.15 C ATOM 983 O VAL A 67 -4.931 4.142 -3.318 1.00 41.15 O ATOM 984 CB VAL A 67 -2.989 7.039 -3.114 1.00 44.24 C ATOM 985 CG1 VAL A 67 -3.281 6.775 -1.630 1.00 62.34 C ATOM 986 CG2 VAL A 67 -1.496 7.383 -3.202 1.00 64.12 C ATOM 0 H VAL A 67 -2.907 7.089 -5.641 1.00 74.34 H new ATOM 0 HA VAL A 67 -2.696 5.054 -3.764 1.00 54.53 H new ATOM 0 HB VAL A 67 -3.587 7.868 -3.493 1.00 44.24 H new ATOM 0 HG11 VAL A 67 -2.974 7.638 -1.040 1.00 62.34 H new ATOM 0 HG12 VAL A 67 -4.349 6.603 -1.494 1.00 62.34 H new ATOM 0 HG13 VAL A 67 -2.727 5.896 -1.301 1.00 62.34 H new ATOM 0 HG21 VAL A 67 -1.277 8.225 -2.546 1.00 64.12 H new ATOM 0 HG22 VAL A 67 -0.905 6.520 -2.894 1.00 64.12 H new ATOM 0 HG23 VAL A 67 -1.244 7.648 -4.229 1.00 64.12 H new ATOM 996 N PRO A 68 -5.906 6.043 -4.011 1.00 64.23 N ATOM 997 CA PRO A 68 -7.263 5.568 -3.773 1.00 4.44 C ATOM 998 C PRO A 68 -7.723 4.441 -4.707 1.00 70.21 C ATOM 999 O PRO A 68 -8.833 3.936 -4.531 1.00 63.05 O ATOM 1000 CB PRO A 68 -8.162 6.793 -3.947 1.00 73.22 C ATOM 1001 CG PRO A 68 -7.356 7.738 -4.835 1.00 62.02 C ATOM 1002 CD PRO A 68 -5.927 7.439 -4.424 1.00 63.24 C ATOM 0 HA PRO A 68 -7.312 5.127 -2.777 1.00 4.44 H new ATOM 0 HB2 PRO A 68 -9.111 6.526 -4.411 1.00 73.22 H new ATOM 0 HB3 PRO A 68 -8.395 7.253 -2.987 1.00 73.22 H new ATOM 0 HG2 PRO A 68 -7.523 7.541 -5.894 1.00 62.02 H new ATOM 0 HG3 PRO A 68 -7.618 8.781 -4.660 1.00 62.02 H new ATOM 0 HD2 PRO A 68 -5.240 7.610 -5.253 1.00 63.24 H new ATOM 0 HD3 PRO A 68 -5.612 8.091 -3.609 1.00 63.24 H new ATOM 1007 N LEU A 69 -6.943 4.063 -5.719 1.00 50.22 N ATOM 1008 CA LEU A 69 -7.276 2.948 -6.604 1.00 10.33 C ATOM 1009 C LEU A 69 -7.136 1.631 -5.837 1.00 10.31 C ATOM 1010 O LEU A 69 -8.045 0.807 -5.895 1.00 54.15 O ATOM 1011 CB LEU A 69 -6.386 3.013 -7.850 1.00 51.22 C ATOM 1012 CG LEU A 69 -6.913 2.261 -9.084 1.00 3.54 C ATOM 1013 CD1 LEU A 69 -6.056 2.706 -10.278 1.00 13.11 C ATOM 1014 CD2 LEU A 69 -6.902 0.734 -8.947 1.00 72.01 C ATOM 0 H LEU A 69 -6.061 4.522 -5.948 1.00 50.22 H new ATOM 0 HA LEU A 69 -8.311 3.012 -6.941 1.00 10.33 H new ATOM 0 HB2 LEU A 69 -6.243 4.060 -8.118 1.00 51.22 H new ATOM 0 HB3 LEU A 69 -5.405 2.613 -7.595 1.00 51.22 H new ATOM 0 HG LEU A 69 -7.965 2.513 -9.216 1.00 3.54 H new ATOM 0 HD11 LEU A 69 -6.395 2.196 -11.180 1.00 13.11 H new ATOM 0 HD12 LEU A 69 -6.152 3.783 -10.413 1.00 13.11 H new ATOM 0 HD13 LEU A 69 -5.012 2.455 -10.090 1.00 13.11 H new ATOM 0 HD21 LEU A 69 -7.289 0.284 -9.861 1.00 72.01 H new ATOM 0 HD22 LEU A 69 -5.881 0.391 -8.778 1.00 72.01 H new ATOM 0 HD23 LEU A 69 -7.528 0.440 -8.104 1.00 72.01 H new ATOM 1025 N ALA A 70 -6.065 1.467 -5.046 1.00 2.10 N ATOM 1026 CA ALA A 70 -5.823 0.276 -4.235 1.00 31.31 C ATOM 1027 C ALA A 70 -6.979 -0.034 -3.277 1.00 23.42 C ATOM 1028 O ALA A 70 -7.179 -1.187 -2.893 1.00 1.12 O ATOM 1029 CB ALA A 70 -4.513 0.462 -3.452 1.00 32.14 C ATOM 0 H ALA A 70 -5.334 2.173 -4.954 1.00 2.10 H new ATOM 0 HA ALA A 70 -5.744 -0.577 -4.908 1.00 31.31 H new ATOM 0 HB1 ALA A 70 -4.324 -0.422 -2.844 1.00 32.14 H new ATOM 0 HB2 ALA A 70 -3.689 0.605 -4.151 1.00 32.14 H new ATOM 0 HB3 ALA A 70 -4.596 1.336 -2.806 1.00 32.14 H new ATOM 1035 N ILE A 71 -7.753 0.985 -2.895 1.00 50.53 N ATOM 1036 CA ILE A 71 -8.947 0.837 -2.076 1.00 63.44 C ATOM 1037 C ILE A 71 -9.965 -0.036 -2.815 1.00 32.30 C ATOM 1038 O ILE A 71 -10.479 -0.993 -2.240 1.00 13.40 O ATOM 1039 CB ILE A 71 -9.490 2.233 -1.688 1.00 42.33 C ATOM 1040 CG1 ILE A 71 -8.410 3.008 -0.890 1.00 14.34 C ATOM 1041 CG2 ILE A 71 -10.814 2.087 -0.931 1.00 52.55 C ATOM 1042 CD1 ILE A 71 -8.811 4.424 -0.449 1.00 32.00 C ATOM 0 H ILE A 71 -7.559 1.952 -3.154 1.00 50.53 H new ATOM 0 HA ILE A 71 -8.717 0.326 -1.141 1.00 63.44 H new ATOM 0 HB ILE A 71 -9.706 2.819 -2.581 1.00 42.33 H new ATOM 0 HG12 ILE A 71 -8.151 2.429 -0.004 1.00 14.34 H new ATOM 0 HG13 ILE A 71 -7.510 3.076 -1.501 1.00 14.34 H new ATOM 0 HG21 ILE A 71 -11.190 3.074 -0.661 1.00 52.55 H new ATOM 0 HG22 ILE A 71 -11.542 1.582 -1.566 1.00 52.55 H new ATOM 0 HG23 ILE A 71 -10.653 1.500 -0.026 1.00 52.55 H new ATOM 0 HD11 ILE A 71 -7.988 4.880 0.101 1.00 32.00 H new ATOM 0 HD12 ILE A 71 -9.039 5.028 -1.327 1.00 32.00 H new ATOM 0 HD13 ILE A 71 -9.690 4.370 0.193 1.00 32.00 H new ATOM 1053 N GLY A 72 -10.199 0.217 -4.103 1.00 30.40 N ATOM 1054 CA GLY A 72 -11.074 -0.601 -4.929 1.00 54.53 C ATOM 1055 C GLY A 72 -10.500 -1.978 -5.269 1.00 61.05 C ATOM 1056 O GLY A 72 -11.165 -2.753 -5.958 1.00 2.50 O ATOM 0 H GLY A 72 -9.781 1.002 -4.602 1.00 30.40 H new ATOM 0 HA2 GLY A 72 -12.025 -0.732 -4.413 1.00 54.53 H new ATOM 0 HA3 GLY A 72 -11.285 -0.068 -5.856 1.00 54.53 H new ATOM 1060 N LEU A 73 -9.279 -2.297 -4.827 1.00 73.33 N ATOM 1061 CA LEU A 73 -8.647 -3.608 -4.982 1.00 24.13 C ATOM 1062 C LEU A 73 -8.669 -4.387 -3.656 1.00 21.13 C ATOM 1063 O LEU A 73 -8.129 -5.491 -3.598 1.00 72.02 O ATOM 1064 CB LEU A 73 -7.205 -3.474 -5.513 1.00 31.14 C ATOM 1065 CG LEU A 73 -7.021 -2.671 -6.818 1.00 42.13 C ATOM 1066 CD1 LEU A 73 -5.612 -2.891 -7.375 1.00 40.45 C ATOM 1067 CD2 LEU A 73 -8.010 -3.050 -7.924 1.00 4.44 C ATOM 0 H LEU A 73 -8.686 -1.628 -4.336 1.00 73.33 H new ATOM 0 HA LEU A 73 -9.223 -4.169 -5.717 1.00 24.13 H new ATOM 0 HB2 LEU A 73 -6.598 -3.007 -4.737 1.00 31.14 H new ATOM 0 HB3 LEU A 73 -6.805 -4.476 -5.670 1.00 31.14 H new ATOM 0 HG LEU A 73 -7.198 -1.631 -6.544 1.00 42.13 H new ATOM 0 HD11 LEU A 73 -5.492 -2.320 -8.296 1.00 40.45 H new ATOM 0 HD12 LEU A 73 -4.876 -2.559 -6.643 1.00 40.45 H new ATOM 0 HD13 LEU A 73 -5.464 -3.951 -7.583 1.00 40.45 H new ATOM 0 HD21 LEU A 73 -7.817 -2.443 -8.808 1.00 4.44 H new ATOM 0 HD22 LEU A 73 -7.890 -4.104 -8.174 1.00 4.44 H new ATOM 0 HD23 LEU A 73 -9.028 -2.873 -7.578 1.00 4.44 H new ATOM 1078 N THR A 74 -9.302 -3.857 -2.594 1.00 42.35 N ATOM 1079 CA THR A 74 -9.328 -4.447 -1.250 1.00 11.40 C ATOM 1080 C THR A 74 -9.843 -5.901 -1.220 1.00 70.23 C ATOM 1081 O THR A 74 -9.580 -6.611 -0.251 1.00 51.33 O ATOM 1082 CB THR A 74 -10.119 -3.529 -0.293 1.00 24.03 C ATOM 1083 OG1 THR A 74 -9.954 -3.919 1.058 1.00 30.42 O ATOM 1084 CG2 THR A 74 -11.624 -3.504 -0.618 1.00 23.21 C ATOM 0 H THR A 74 -9.823 -2.982 -2.652 1.00 42.35 H new ATOM 0 HA THR A 74 -8.296 -4.514 -0.906 1.00 11.40 H new ATOM 0 HB THR A 74 -9.711 -2.529 -0.438 1.00 24.03 H new ATOM 0 HG1 THR A 74 -9.148 -4.470 1.143 1.00 30.42 H new ATOM 0 HG21 THR A 74 -12.137 -2.845 0.082 1.00 23.21 H new ATOM 0 HG22 THR A 74 -11.771 -3.138 -1.634 1.00 23.21 H new ATOM 0 HG23 THR A 74 -12.031 -4.511 -0.533 1.00 23.21 H new ATOM 1092 N GLY A 75 -10.578 -6.352 -2.241 1.00 25.20 N ATOM 1093 CA GLY A 75 -11.184 -7.675 -2.291 1.00 44.42 C ATOM 1094 C GLY A 75 -10.480 -8.628 -3.251 1.00 54.21 C ATOM 1095 O GLY A 75 -11.037 -9.685 -3.556 1.00 74.04 O ATOM 0 H GLY A 75 -10.769 -5.791 -3.071 1.00 25.20 H new ATOM 0 HA2 GLY A 75 -11.177 -8.108 -1.291 1.00 44.42 H new ATOM 0 HA3 GLY A 75 -12.228 -7.577 -2.588 1.00 44.42 H new ATOM 1099 N GLN A 76 -9.312 -8.261 -3.777 1.00 50.43 N ATOM 1100 CA GLN A 76 -8.441 -9.162 -4.530 1.00 71.53 C ATOM 1101 C GLN A 76 -7.609 -10.017 -3.577 1.00 70.22 C ATOM 1102 O GLN A 76 -7.764 -9.919 -2.365 1.00 74.42 O ATOM 1103 CB GLN A 76 -7.564 -8.334 -5.474 1.00 24.12 C ATOM 1104 CG GLN A 76 -8.424 -7.626 -6.536 1.00 24.32 C ATOM 1105 CD GLN A 76 -7.831 -7.645 -7.942 1.00 12.24 C ATOM 1106 OE1 GLN A 76 -7.068 -8.543 -8.304 1.00 55.33 O ATOM 1107 NE2 GLN A 76 -8.215 -6.683 -8.760 1.00 52.42 N ATOM 0 H GLN A 76 -8.939 -7.316 -3.691 1.00 50.43 H new ATOM 0 HA GLN A 76 -9.040 -9.847 -5.130 1.00 71.53 H new ATOM 0 HB2 GLN A 76 -7.003 -7.595 -4.902 1.00 24.12 H new ATOM 0 HB3 GLN A 76 -6.835 -8.981 -5.962 1.00 24.12 H new ATOM 0 HG2 GLN A 76 -9.407 -8.097 -6.563 1.00 24.32 H new ATOM 0 HG3 GLN A 76 -8.575 -6.590 -6.232 1.00 24.32 H new ATOM 0 HE21 GLN A 76 -8.847 -5.954 -8.429 1.00 52.42 H new ATOM 0 HE22 GLN A 76 -7.879 -6.668 -9.723 1.00 52.42 H new ATOM 1114 N ARG A 77 -6.755 -10.899 -4.107 1.00 42.22 N ATOM 1115 CA ARG A 77 -5.809 -11.676 -3.308 1.00 45.01 C ATOM 1116 C ARG A 77 -4.669 -12.175 -4.189 1.00 34.52 C ATOM 1117 O ARG A 77 -4.753 -13.283 -4.717 1.00 20.44 O ATOM 1118 CB ARG A 77 -6.525 -12.838 -2.591 1.00 64.31 C ATOM 1119 CG ARG A 77 -7.459 -13.673 -3.491 1.00 42.42 C ATOM 1120 CD ARG A 77 -7.440 -15.161 -3.111 1.00 11.00 C ATOM 1121 NE ARG A 77 -8.156 -15.423 -1.857 1.00 61.42 N ATOM 1122 CZ ARG A 77 -8.179 -16.558 -1.150 1.00 10.40 C ATOM 1123 NH1 ARG A 77 -7.437 -17.612 -1.463 1.00 61.15 N ATOM 1124 NH2 ARG A 77 -8.976 -16.643 -0.096 1.00 24.52 N ATOM 0 H ARG A 77 -6.702 -11.093 -5.107 1.00 42.22 H new ATOM 0 HA ARG A 77 -5.384 -11.034 -2.537 1.00 45.01 H new ATOM 0 HB2 ARG A 77 -5.773 -13.499 -2.159 1.00 64.31 H new ATOM 0 HB3 ARG A 77 -7.107 -12.433 -1.763 1.00 64.31 H new ATOM 0 HG2 ARG A 77 -8.477 -13.291 -3.412 1.00 42.42 H new ATOM 0 HG3 ARG A 77 -7.156 -13.560 -4.532 1.00 42.42 H new ATOM 0 HD2 ARG A 77 -7.891 -15.745 -3.913 1.00 11.00 H new ATOM 0 HD3 ARG A 77 -6.407 -15.496 -3.014 1.00 11.00 H new ATOM 0 HE ARG A 77 -8.701 -14.647 -1.480 1.00 61.42 H new ATOM 0 HH11 ARG A 77 -6.817 -17.577 -2.272 1.00 61.15 H new ATOM 0 HH12 ARG A 77 -7.487 -18.458 -0.895 1.00 61.15 H new ATOM 0 HH21 ARG A 77 -9.561 -15.850 0.166 1.00 24.52 H new ATOM 0 HH22 ARG A 77 -9.005 -17.502 0.454 1.00 24.52 H new ATOM 1135 N VAL A 78 -3.594 -11.409 -4.358 1.00 73.53 N ATOM 1136 CA VAL A 78 -2.514 -11.827 -5.255 1.00 54.33 C ATOM 1137 C VAL A 78 -1.845 -13.034 -4.617 1.00 33.21 C ATOM 1138 O VAL A 78 -1.228 -12.911 -3.563 1.00 55.21 O ATOM 1139 CB VAL A 78 -1.541 -10.672 -5.546 1.00 13.33 C ATOM 1140 CG1 VAL A 78 -0.275 -11.117 -6.297 1.00 23.22 C ATOM 1141 CG2 VAL A 78 -2.254 -9.622 -6.399 1.00 43.41 C ATOM 0 H VAL A 78 -3.446 -10.512 -3.896 1.00 73.53 H new ATOM 0 HA VAL A 78 -2.903 -12.108 -6.233 1.00 54.33 H new ATOM 0 HB VAL A 78 -1.230 -10.273 -4.580 1.00 13.33 H new ATOM 0 HG11 VAL A 78 0.368 -10.254 -6.470 1.00 23.22 H new ATOM 0 HG12 VAL A 78 0.261 -11.855 -5.701 1.00 23.22 H new ATOM 0 HG13 VAL A 78 -0.555 -11.558 -7.253 1.00 23.22 H new ATOM 0 HG21 VAL A 78 -1.571 -8.799 -6.610 1.00 43.41 H new ATOM 0 HG22 VAL A 78 -2.578 -10.074 -7.336 1.00 43.41 H new ATOM 0 HG23 VAL A 78 -3.122 -9.243 -5.860 1.00 43.41 H new ATOM 1151 N LEU A 79 -2.011 -14.224 -5.196 1.00 40.01 N ATOM 1152 CA LEU A 79 -1.476 -15.460 -4.629 1.00 14.33 C ATOM 1153 C LEU A 79 -1.944 -15.679 -3.175 1.00 3.13 C ATOM 1154 O LEU A 79 -1.285 -16.409 -2.435 1.00 34.44 O ATOM 1155 CB LEU A 79 0.067 -15.506 -4.776 1.00 12.11 C ATOM 1156 CG LEU A 79 0.638 -15.080 -6.146 1.00 22.30 C ATOM 1157 CD1 LEU A 79 2.164 -14.978 -6.079 1.00 31.21 C ATOM 1158 CD2 LEU A 79 0.245 -16.062 -7.248 1.00 44.22 C ATOM 0 H LEU A 79 -2.520 -14.357 -6.070 1.00 40.01 H new ATOM 0 HA LEU A 79 -1.880 -16.297 -5.199 1.00 14.33 H new ATOM 0 HB2 LEU A 79 0.503 -14.865 -4.010 1.00 12.11 H new ATOM 0 HB3 LEU A 79 0.400 -16.523 -4.568 1.00 12.11 H new ATOM 0 HG LEU A 79 0.215 -14.105 -6.386 1.00 22.30 H new ATOM 0 HD11 LEU A 79 2.552 -14.677 -7.052 1.00 31.21 H new ATOM 0 HD12 LEU A 79 2.447 -14.237 -5.331 1.00 31.21 H new ATOM 0 HD13 LEU A 79 2.582 -15.947 -5.806 1.00 31.21 H new ATOM 0 HD21 LEU A 79 0.664 -15.730 -8.198 1.00 44.22 H new ATOM 0 HD22 LEU A 79 0.631 -17.053 -7.007 1.00 44.22 H new ATOM 0 HD23 LEU A 79 -0.841 -16.105 -7.326 1.00 44.22 H new ATOM 1169 N GLY A 80 -3.049 -15.054 -2.745 1.00 41.22 N ATOM 1170 CA GLY A 80 -3.586 -15.202 -1.396 1.00 22.21 C ATOM 1171 C GLY A 80 -3.496 -13.948 -0.521 1.00 23.41 C ATOM 1172 O GLY A 80 -3.933 -14.027 0.634 1.00 70.42 O ATOM 0 H GLY A 80 -3.596 -14.427 -3.334 1.00 41.22 H new ATOM 0 HA2 GLY A 80 -4.632 -15.502 -1.468 1.00 22.21 H new ATOM 0 HA3 GLY A 80 -3.056 -16.013 -0.897 1.00 22.21 H new ATOM 1176 N VAL A 81 -2.979 -12.812 -1.005 1.00 4.32 N ATOM 1177 CA VAL A 81 -2.720 -11.631 -0.171 1.00 74.41 C ATOM 1178 C VAL A 81 -3.720 -10.498 -0.468 1.00 62.32 C ATOM 1179 O VAL A 81 -3.441 -9.698 -1.368 1.00 3.23 O ATOM 1180 CB VAL A 81 -1.254 -11.176 -0.271 1.00 44.45 C ATOM 1181 CG1 VAL A 81 -0.675 -10.802 -1.642 1.00 23.24 C ATOM 1182 CG2 VAL A 81 -0.921 -10.159 0.819 1.00 34.14 C ATOM 0 H VAL A 81 -2.728 -12.685 -1.986 1.00 4.32 H new ATOM 0 HA VAL A 81 -2.880 -11.917 0.868 1.00 74.41 H new ATOM 0 HB VAL A 81 -0.712 -12.106 -0.097 1.00 44.45 H new ATOM 0 HG11 VAL A 81 0.368 -10.505 -1.528 1.00 23.24 H new ATOM 0 HG12 VAL A 81 -0.737 -11.661 -2.310 1.00 23.24 H new ATOM 0 HG13 VAL A 81 -1.244 -9.973 -2.063 1.00 23.24 H new ATOM 0 HG21 VAL A 81 0.121 -9.854 0.726 1.00 34.14 H new ATOM 0 HG22 VAL A 81 -1.566 -9.287 0.712 1.00 34.14 H new ATOM 0 HG23 VAL A 81 -1.081 -10.610 1.798 1.00 34.14 H new ATOM 1192 N PRO A 82 -4.911 -10.440 0.140 1.00 30.34 N ATOM 1193 CA PRO A 82 -5.792 -9.278 0.026 1.00 4.20 C ATOM 1194 C PRO A 82 -5.173 -8.024 0.654 1.00 52.11 C ATOM 1195 O PRO A 82 -4.292 -8.120 1.513 1.00 25.41 O ATOM 1196 CB PRO A 82 -7.078 -9.668 0.761 1.00 50.13 C ATOM 1197 CG PRO A 82 -6.601 -10.693 1.786 1.00 2.24 C ATOM 1198 CD PRO A 82 -5.459 -11.404 1.076 1.00 43.02 C ATOM 0 HA PRO A 82 -5.972 -9.028 -1.020 1.00 4.20 H new ATOM 0 HB2 PRO A 82 -7.544 -8.807 1.240 1.00 50.13 H new ATOM 0 HB3 PRO A 82 -7.817 -10.093 0.081 1.00 50.13 H new ATOM 0 HG2 PRO A 82 -6.265 -10.214 2.706 1.00 2.24 H new ATOM 0 HG3 PRO A 82 -7.396 -11.386 2.060 1.00 2.24 H new ATOM 0 HD2 PRO A 82 -4.701 -11.732 1.787 1.00 43.02 H new ATOM 0 HD3 PRO A 82 -5.815 -12.294 0.557 1.00 43.02 H new ATOM 1203 N ILE A 83 -5.698 -6.845 0.311 1.00 63.11 N ATOM 1204 CA ILE A 83 -5.247 -5.555 0.834 1.00 10.02 C ATOM 1205 C ILE A 83 -6.376 -4.876 1.622 1.00 42.33 C ATOM 1206 O ILE A 83 -7.551 -5.209 1.466 1.00 73.11 O ATOM 1207 CB ILE A 83 -4.631 -4.719 -0.319 1.00 45.22 C ATOM 1208 CG1 ILE A 83 -3.917 -3.464 0.228 1.00 23.14 C ATOM 1209 CG2 ILE A 83 -5.649 -4.338 -1.414 1.00 74.54 C ATOM 1210 CD1 ILE A 83 -3.034 -2.771 -0.806 1.00 12.21 C ATOM 0 H ILE A 83 -6.467 -6.760 -0.354 1.00 63.11 H new ATOM 0 HA ILE A 83 -4.445 -5.678 1.562 1.00 10.02 H new ATOM 0 HB ILE A 83 -3.895 -5.364 -0.799 1.00 45.22 H new ATOM 0 HG12 ILE A 83 -4.665 -2.758 0.588 1.00 23.14 H new ATOM 0 HG13 ILE A 83 -3.306 -3.747 1.085 1.00 23.14 H new ATOM 0 HG21 ILE A 83 -5.150 -3.755 -2.188 1.00 74.54 H new ATOM 0 HG22 ILE A 83 -6.066 -5.244 -1.854 1.00 74.54 H new ATOM 0 HG23 ILE A 83 -6.452 -3.746 -0.974 1.00 74.54 H new ATOM 0 HD11 ILE A 83 -2.563 -1.898 -0.355 1.00 12.21 H new ATOM 0 HD12 ILE A 83 -2.264 -3.462 -1.149 1.00 12.21 H new ATOM 0 HD13 ILE A 83 -3.644 -2.457 -1.653 1.00 12.21 H new ATOM 1221 N ILE A 84 -6.035 -3.923 2.496 1.00 11.10 N ATOM 1222 CA ILE A 84 -6.997 -3.144 3.267 1.00 43.14 C ATOM 1223 C ILE A 84 -7.094 -1.771 2.607 1.00 42.23 C ATOM 1224 O ILE A 84 -6.087 -1.202 2.184 1.00 74.25 O ATOM 1225 CB ILE A 84 -6.572 -3.038 4.757 1.00 43.42 C ATOM 1226 CG1 ILE A 84 -6.346 -4.407 5.430 1.00 14.03 C ATOM 1227 CG2 ILE A 84 -7.594 -2.238 5.586 1.00 54.51 C ATOM 1228 CD1 ILE A 84 -7.574 -5.322 5.466 1.00 63.13 C ATOM 0 H ILE A 84 -5.065 -3.671 2.687 1.00 11.10 H new ATOM 0 HA ILE A 84 -7.973 -3.630 3.269 1.00 43.14 H new ATOM 0 HB ILE A 84 -5.618 -2.511 4.739 1.00 43.42 H new ATOM 0 HG12 ILE A 84 -5.542 -4.924 4.906 1.00 14.03 H new ATOM 0 HG13 ILE A 84 -6.006 -4.241 6.452 1.00 14.03 H new ATOM 0 HG21 ILE A 84 -7.261 -2.186 6.623 1.00 54.51 H new ATOM 0 HG22 ILE A 84 -7.681 -1.229 5.182 1.00 54.51 H new ATOM 0 HG23 ILE A 84 -8.565 -2.731 5.541 1.00 54.51 H new ATOM 0 HD11 ILE A 84 -7.315 -6.259 5.958 1.00 63.13 H new ATOM 0 HD12 ILE A 84 -8.377 -4.832 6.018 1.00 63.13 H new ATOM 0 HD13 ILE A 84 -7.906 -5.526 4.448 1.00 63.13 H new ATOM 1239 N VAL A 85 -8.298 -1.210 2.614 1.00 62.35 N ATOM 1240 CA VAL A 85 -8.678 0.110 2.123 1.00 22.20 C ATOM 1241 C VAL A 85 -7.975 1.308 2.797 1.00 13.44 C ATOM 1242 O VAL A 85 -8.303 2.448 2.484 1.00 3.14 O ATOM 1243 CB VAL A 85 -10.207 0.223 2.297 1.00 53.15 C ATOM 1244 CG1 VAL A 85 -10.961 -0.848 1.525 1.00 74.41 C ATOM 1245 CG2 VAL A 85 -10.663 0.129 3.759 1.00 53.25 C ATOM 0 H VAL A 85 -9.101 -1.709 2.996 1.00 62.35 H new ATOM 0 HA VAL A 85 -8.355 0.175 1.084 1.00 22.20 H new ATOM 0 HB VAL A 85 -10.440 1.213 1.905 1.00 53.15 H new ATOM 0 HG11 VAL A 85 -12.032 -0.723 1.682 1.00 74.41 H new ATOM 0 HG12 VAL A 85 -10.737 -0.756 0.462 1.00 74.41 H new ATOM 0 HG13 VAL A 85 -10.655 -1.833 1.877 1.00 74.41 H new ATOM 0 HG21 VAL A 85 -11.748 0.216 3.808 1.00 53.25 H new ATOM 0 HG22 VAL A 85 -10.357 -0.831 4.175 1.00 53.25 H new ATOM 0 HG23 VAL A 85 -10.208 0.935 4.335 1.00 53.25 H new ATOM 1255 N GLN A 86 -7.091 1.074 3.767 1.00 3.40 N ATOM 1256 CA GLN A 86 -6.580 2.103 4.671 1.00 43.42 C ATOM 1257 C GLN A 86 -5.807 3.232 3.990 1.00 70.23 C ATOM 1258 O GLN A 86 -5.904 4.355 4.475 1.00 52.40 O ATOM 1259 CB GLN A 86 -5.704 1.465 5.758 1.00 3.23 C ATOM 1260 CG GLN A 86 -6.490 1.078 7.022 1.00 12.23 C ATOM 1261 CD GLN A 86 -7.129 2.228 7.805 1.00 45.32 C ATOM 1262 OE1 GLN A 86 -8.199 2.052 8.385 1.00 14.44 O ATOM 1263 NE2 GLN A 86 -6.495 3.382 7.896 1.00 10.51 N ATOM 0 H GLN A 86 -6.704 0.148 3.949 1.00 3.40 H new ATOM 0 HA GLN A 86 -7.466 2.567 5.105 1.00 43.42 H new ATOM 0 HB2 GLN A 86 -5.222 0.576 5.351 1.00 3.23 H new ATOM 0 HB3 GLN A 86 -4.911 2.161 6.031 1.00 3.23 H new ATOM 0 HG2 GLN A 86 -7.277 0.381 6.735 1.00 12.23 H new ATOM 0 HG3 GLN A 86 -5.818 0.541 7.691 1.00 12.23 H new ATOM 0 HE21 GLN A 86 -5.608 3.516 7.410 1.00 10.51 H new ATOM 0 HE22 GLN A 86 -6.892 4.140 8.452 1.00 10.51 H new ATOM 1270 N ALA A 87 -5.017 2.977 2.941 1.00 51.12 N ATOM 1271 CA ALA A 87 -4.076 3.910 2.362 1.00 22.03 C ATOM 1272 C ALA A 87 -3.096 4.438 3.418 1.00 62.12 C ATOM 1273 O ALA A 87 -3.128 4.081 4.597 1.00 30.03 O ATOM 1274 CB ALA A 87 -4.847 4.996 1.597 1.00 71.42 C ATOM 0 H ALA A 87 -5.025 2.077 2.462 1.00 51.12 H new ATOM 0 HA ALA A 87 -3.441 3.408 1.632 1.00 22.03 H new ATOM 0 HB1 ALA A 87 -4.142 5.702 1.158 1.00 71.42 H new ATOM 0 HB2 ALA A 87 -5.437 4.534 0.806 1.00 71.42 H new ATOM 0 HB3 ALA A 87 -5.510 5.524 2.283 1.00 71.42 H new ATOM 1280 N SER A 88 -2.170 5.268 2.967 1.00 22.24 N ATOM 1281 CA SER A 88 -1.230 5.958 3.847 1.00 33.52 C ATOM 1282 C SER A 88 -1.514 7.455 3.796 1.00 52.31 C ATOM 1283 O SER A 88 -1.798 7.999 2.720 1.00 4.51 O ATOM 1284 CB SER A 88 0.213 5.575 3.506 1.00 3.44 C ATOM 1285 OG SER A 88 0.772 6.368 2.495 1.00 53.21 O ATOM 0 H SER A 88 -2.045 5.486 1.978 1.00 22.24 H new ATOM 0 HA SER A 88 -1.366 5.645 4.882 1.00 33.52 H new ATOM 0 HB2 SER A 88 0.826 5.658 4.404 1.00 3.44 H new ATOM 0 HB3 SER A 88 0.241 4.530 3.196 1.00 3.44 H new ATOM 0 HG SER A 88 0.158 6.406 1.732 1.00 53.21 H new