USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 559 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 15 LYS NZ :NH3+ -171:sc= 0.344 (180deg=-1.02) USER MOD Set 1.2: A 61 THR OG1 : rot -138:sc= 2.02 USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 22 SER OG : rot -159:sc= 0.822 USER MOD Single : A 25 THR OG1 : rot -160:sc= -1.81! USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0591 USER MOD Single : A 29 SER OG : rot 166:sc= 0.745 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -1.49 K(o=-1.5,f=-2) USER MOD Single : A 36 GLN : amide:sc= -0.956! K(o=-0.96!,f=-0.046) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc=0.000531 USER MOD Single : A 43 CYS SG : rot 79:sc= -1.23 USER MOD Single : A 46 MET CE :methyl 163:sc= -0.352 (180deg=-0.869) USER MOD Single : A 62 TYR OH : rot 26:sc= 1.01 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.28 USER MOD Single : A 72 MET CE :methyl -168:sc= -1.66 (180deg=-2.5!) USER MOD Single : A 73 ASN : amide:sc= 0.995 K(o=1,f=-0.19) USER MOD Single : A 77 HIS : no HD1:sc= -0.563 K(o=-0.56,f=-4.4!) USER MOD Single : A 78 LYS NZ :NH3+ 164:sc= -0.0497 (180deg=-0.334) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 148 N GLU A 11 -5.417 -17.876 -3.460 1.00 23.01 N ATOM 149 CA GLU A 11 -6.358 -17.635 -4.551 1.00 14.04 C ATOM 150 C GLU A 11 -6.749 -18.955 -5.199 1.00 60.12 C ATOM 151 O GLU A 11 -7.924 -19.225 -5.421 1.00 73.12 O ATOM 152 CB GLU A 11 -5.704 -16.703 -5.583 1.00 53.52 C ATOM 153 CG GLU A 11 -6.419 -16.627 -6.926 1.00 52.24 C ATOM 154 CD GLU A 11 -7.645 -15.744 -6.910 1.00 53.41 C ATOM 155 OE1 GLU A 11 -7.502 -14.522 -6.691 1.00 34.45 O ATOM 156 OE2 GLU A 11 -8.749 -16.260 -7.153 1.00 25.44 O ATOM 0 HA GLU A 11 -7.260 -17.162 -4.162 1.00 14.04 H new ATOM 0 HB2 GLU A 11 -5.649 -15.700 -5.161 1.00 53.52 H new ATOM 0 HB3 GLU A 11 -4.680 -17.035 -5.752 1.00 53.52 H new ATOM 0 HG2 GLU A 11 -5.723 -16.255 -7.678 1.00 52.24 H new ATOM 0 HG3 GLU A 11 -6.710 -17.632 -7.231 1.00 52.24 H new ATOM 163 N GLN A 12 -5.746 -19.778 -5.466 1.00 31.31 N ATOM 164 CA GLN A 12 -5.949 -21.094 -6.055 1.00 40.43 C ATOM 165 C GLN A 12 -6.859 -21.966 -5.185 1.00 25.33 C ATOM 166 O GLN A 12 -7.683 -22.725 -5.690 1.00 43.40 O ATOM 167 CB GLN A 12 -4.586 -21.763 -6.261 1.00 73.41 C ATOM 168 CG GLN A 12 -4.582 -23.263 -6.035 1.00 3.31 C ATOM 169 CD GLN A 12 -3.219 -23.876 -6.247 1.00 40.14 C ATOM 170 OE1 GLN A 12 -2.192 -23.221 -6.055 1.00 10.14 O ATOM 171 NE2 GLN A 12 -3.199 -25.139 -6.626 1.00 54.35 N ATOM 0 H GLN A 12 -4.769 -19.553 -5.281 1.00 31.31 H new ATOM 0 HA GLN A 12 -6.448 -20.977 -7.017 1.00 40.43 H new ATOM 0 HB2 GLN A 12 -4.245 -21.560 -7.276 1.00 73.41 H new ATOM 0 HB3 GLN A 12 -3.864 -21.304 -5.585 1.00 73.41 H new ATOM 0 HG2 GLN A 12 -4.918 -23.475 -5.020 1.00 3.31 H new ATOM 0 HG3 GLN A 12 -5.297 -23.731 -6.712 1.00 3.31 H new ATOM 0 HE21 GLN A 12 -4.075 -25.641 -6.773 1.00 54.35 H new ATOM 0 HE22 GLN A 12 -2.308 -25.614 -6.772 1.00 54.35 H new ATOM 180 N LEU A 13 -6.718 -21.834 -3.876 1.00 74.12 N ATOM 181 CA LEU A 13 -7.470 -22.655 -2.940 1.00 44.54 C ATOM 182 C LEU A 13 -8.893 -22.124 -2.769 1.00 65.31 C ATOM 183 O LEU A 13 -9.818 -22.883 -2.461 1.00 34.01 O ATOM 184 CB LEU A 13 -6.720 -22.714 -1.601 1.00 44.41 C ATOM 185 CG LEU A 13 -7.419 -23.459 -0.459 1.00 70.23 C ATOM 186 CD1 LEU A 13 -6.393 -24.163 0.415 1.00 24.45 C ATOM 187 CD2 LEU A 13 -8.240 -22.492 0.384 1.00 11.11 C ATOM 0 H LEU A 13 -6.087 -21.164 -3.436 1.00 74.12 H new ATOM 0 HA LEU A 13 -7.556 -23.668 -3.334 1.00 44.54 H new ATOM 0 HB2 LEU A 13 -5.752 -23.184 -1.773 1.00 44.41 H new ATOM 0 HB3 LEU A 13 -6.525 -21.693 -1.274 1.00 44.41 H new ATOM 0 HG LEU A 13 -8.088 -24.203 -0.892 1.00 70.23 H new ATOM 0 HD11 LEU A 13 -6.902 -24.689 1.223 1.00 24.45 H new ATOM 0 HD12 LEU A 13 -5.832 -24.878 -0.187 1.00 24.45 H new ATOM 0 HD13 LEU A 13 -5.708 -23.427 0.836 1.00 24.45 H new ATOM 0 HD21 LEU A 13 -8.730 -23.038 1.190 1.00 11.11 H new ATOM 0 HD22 LEU A 13 -7.584 -21.731 0.807 1.00 11.11 H new ATOM 0 HD23 LEU A 13 -8.994 -22.014 -0.241 1.00 11.11 H new ATOM 199 N ARG A 14 -9.064 -20.824 -2.977 1.00 70.43 N ATOM 200 CA ARG A 14 -10.377 -20.195 -2.869 1.00 54.34 C ATOM 201 C ARG A 14 -11.098 -20.211 -4.210 1.00 14.23 C ATOM 202 O ARG A 14 -12.287 -19.904 -4.290 1.00 45.00 O ATOM 203 CB ARG A 14 -10.256 -18.748 -2.393 1.00 32.33 C ATOM 204 CG ARG A 14 -9.611 -18.581 -1.032 1.00 50.34 C ATOM 205 CD ARG A 14 -9.810 -17.166 -0.512 1.00 4.21 C ATOM 206 NE ARG A 14 -9.469 -16.152 -1.512 1.00 22.15 N ATOM 207 CZ ARG A 14 -9.556 -14.834 -1.304 1.00 60.40 C ATOM 208 NH1 ARG A 14 -9.828 -14.355 -0.097 1.00 14.12 N ATOM 209 NH2 ARG A 14 -9.339 -13.986 -2.298 1.00 62.23 N ATOM 0 H ARG A 14 -8.309 -20.183 -3.222 1.00 70.43 H new ATOM 0 HA ARG A 14 -10.950 -20.768 -2.140 1.00 54.34 H new ATOM 0 HB2 ARG A 14 -9.677 -18.186 -3.126 1.00 32.33 H new ATOM 0 HB3 ARG A 14 -11.251 -18.305 -2.365 1.00 32.33 H new ATOM 0 HG2 ARG A 14 -10.041 -19.295 -0.330 1.00 50.34 H new ATOM 0 HG3 ARG A 14 -8.546 -18.802 -1.099 1.00 50.34 H new ATOM 0 HD2 ARG A 14 -10.848 -17.037 -0.206 1.00 4.21 H new ATOM 0 HD3 ARG A 14 -9.195 -17.018 0.376 1.00 4.21 H new ATOM 0 HE ARG A 14 -9.145 -16.471 -2.425 1.00 22.15 H new ATOM 0 HH11 ARG A 14 -9.973 -14.994 0.685 1.00 14.12 H new ATOM 0 HH12 ARG A 14 -9.892 -13.348 0.049 1.00 14.12 H new ATOM 0 HH21 ARG A 14 -9.105 -14.338 -3.226 1.00 62.23 H new ATOM 0 HH22 ARG A 14 -9.406 -12.981 -2.135 1.00 62.23 H new ATOM 223 N LYS A 15 -10.366 -20.542 -5.260 1.00 41.10 N ATOM 224 CA LYS A 15 -10.926 -20.561 -6.601 1.00 3.22 C ATOM 225 C LYS A 15 -11.516 -21.929 -6.919 1.00 41.20 C ATOM 226 O LYS A 15 -10.943 -22.969 -6.585 1.00 11.45 O ATOM 227 CB LYS A 15 -9.864 -20.187 -7.642 1.00 44.42 C ATOM 228 CG LYS A 15 -10.426 -19.988 -9.043 1.00 45.42 C ATOM 229 CD LYS A 15 -9.342 -19.613 -10.045 1.00 53.33 C ATOM 230 CE LYS A 15 -8.687 -18.281 -9.706 1.00 53.03 C ATOM 231 NZ LYS A 15 -9.655 -17.150 -9.734 1.00 54.11 N ATOM 0 H LYS A 15 -9.381 -20.802 -5.210 1.00 41.10 H new ATOM 0 HA LYS A 15 -11.724 -19.820 -6.642 1.00 3.22 H new ATOM 0 HB2 LYS A 15 -9.365 -19.271 -7.326 1.00 44.42 H new ATOM 0 HB3 LYS A 15 -9.105 -20.969 -7.672 1.00 44.42 H new ATOM 0 HG2 LYS A 15 -10.920 -20.903 -9.369 1.00 45.42 H new ATOM 0 HG3 LYS A 15 -11.186 -19.207 -9.021 1.00 45.42 H new ATOM 0 HD2 LYS A 15 -8.583 -20.395 -10.067 1.00 53.33 H new ATOM 0 HD3 LYS A 15 -9.775 -19.560 -11.044 1.00 53.33 H new ATOM 0 HE2 LYS A 15 -8.234 -18.343 -8.717 1.00 53.03 H new ATOM 0 HE3 LYS A 15 -7.882 -18.084 -10.414 1.00 53.03 H new ATOM 0 HZ1 LYS A 15 -9.140 -16.250 -9.649 1.00 54.11 H new ATOM 0 HZ2 LYS A 15 -10.180 -17.165 -10.632 1.00 54.11 H new ATOM 0 HZ3 LYS A 15 -10.322 -17.244 -8.941 1.00 54.11 H new ATOM 245 N LEU A 16 -12.672 -21.911 -7.548 1.00 31.13 N ATOM 246 CA LEU A 16 -13.364 -23.119 -7.943 1.00 11.23 C ATOM 247 C LEU A 16 -13.353 -23.233 -9.465 1.00 50.14 C ATOM 248 O LEU A 16 -13.646 -22.264 -10.170 1.00 41.44 O ATOM 249 CB LEU A 16 -14.801 -23.055 -7.423 1.00 71.02 C ATOM 250 CG LEU A 16 -15.438 -24.380 -7.010 1.00 64.21 C ATOM 251 CD1 LEU A 16 -14.559 -25.110 -6.013 1.00 14.35 C ATOM 252 CD2 LEU A 16 -16.810 -24.124 -6.407 1.00 32.13 C ATOM 0 H LEU A 16 -13.161 -21.052 -7.801 1.00 31.13 H new ATOM 0 HA LEU A 16 -12.868 -23.994 -7.524 1.00 11.23 H new ATOM 0 HB2 LEU A 16 -14.823 -22.384 -6.564 1.00 71.02 H new ATOM 0 HB3 LEU A 16 -15.423 -22.604 -8.196 1.00 71.02 H new ATOM 0 HG LEU A 16 -15.545 -25.007 -7.895 1.00 64.21 H new ATOM 0 HD11 LEU A 16 -15.032 -26.051 -5.732 1.00 14.35 H new ATOM 0 HD12 LEU A 16 -13.588 -25.312 -6.464 1.00 14.35 H new ATOM 0 HD13 LEU A 16 -14.425 -24.492 -5.125 1.00 14.35 H new ATOM 0 HD21 LEU A 16 -17.261 -25.072 -6.114 1.00 32.13 H new ATOM 0 HD22 LEU A 16 -16.709 -23.484 -5.531 1.00 32.13 H new ATOM 0 HD23 LEU A 16 -17.445 -23.632 -7.144 1.00 32.13 H new ATOM 264 N PHE A 17 -12.989 -24.402 -9.959 1.00 72.53 N ATOM 265 CA PHE A 17 -12.966 -24.667 -11.387 1.00 43.05 C ATOM 266 C PHE A 17 -14.327 -25.175 -11.833 1.00 65.11 C ATOM 267 O PHE A 17 -14.763 -26.251 -11.418 1.00 70.42 O ATOM 268 CB PHE A 17 -11.880 -25.697 -11.714 1.00 3.01 C ATOM 269 CG PHE A 17 -11.781 -26.046 -13.174 1.00 35.11 C ATOM 270 CD1 PHE A 17 -11.714 -27.367 -13.579 1.00 52.41 C ATOM 271 CD2 PHE A 17 -11.748 -25.054 -14.137 1.00 35.35 C ATOM 272 CE1 PHE A 17 -11.613 -27.689 -14.918 1.00 1.35 C ATOM 273 CE2 PHE A 17 -11.649 -25.370 -15.476 1.00 63.42 C ATOM 274 CZ PHE A 17 -11.580 -26.689 -15.868 1.00 75.01 C ATOM 0 H PHE A 17 -12.701 -25.194 -9.384 1.00 72.53 H new ATOM 0 HA PHE A 17 -12.739 -23.744 -11.920 1.00 43.05 H new ATOM 0 HB2 PHE A 17 -10.917 -25.312 -11.378 1.00 3.01 H new ATOM 0 HB3 PHE A 17 -12.075 -26.607 -11.147 1.00 3.01 H new ATOM 0 HD1 PHE A 17 -11.741 -28.155 -12.840 1.00 52.41 H new ATOM 0 HD2 PHE A 17 -11.800 -24.018 -13.837 1.00 35.35 H new ATOM 0 HE1 PHE A 17 -11.560 -28.724 -15.222 1.00 1.35 H new ATOM 0 HE2 PHE A 17 -11.626 -24.584 -16.216 1.00 63.42 H new ATOM 0 HZ PHE A 17 -11.500 -26.939 -16.916 1.00 75.01 H new ATOM 284 N ILE A 18 -15.000 -24.393 -12.661 1.00 42.45 N ATOM 285 CA ILE A 18 -16.337 -24.736 -13.110 1.00 42.31 C ATOM 286 C ILE A 18 -16.303 -25.187 -14.557 1.00 34.43 C ATOM 287 O ILE A 18 -16.292 -24.366 -15.471 1.00 33.23 O ATOM 288 CB ILE A 18 -17.307 -23.543 -12.987 1.00 40.23 C ATOM 289 CG1 ILE A 18 -17.141 -22.854 -11.632 1.00 62.03 C ATOM 290 CG2 ILE A 18 -18.744 -24.004 -13.177 1.00 44.10 C ATOM 291 CD1 ILE A 18 -17.223 -23.797 -10.452 1.00 74.22 C ATOM 0 H ILE A 18 -14.641 -23.515 -13.036 1.00 42.45 H new ATOM 0 HA ILE A 18 -16.693 -25.543 -12.470 1.00 42.31 H new ATOM 0 HB ILE A 18 -17.069 -22.823 -13.770 1.00 40.23 H new ATOM 0 HG12 ILE A 18 -16.178 -22.343 -11.610 1.00 62.03 H new ATOM 0 HG13 ILE A 18 -17.910 -22.089 -11.528 1.00 62.03 H new ATOM 0 HG21 ILE A 18 -19.415 -23.150 -13.087 1.00 44.10 H new ATOM 0 HG22 ILE A 18 -18.855 -24.450 -14.165 1.00 44.10 H new ATOM 0 HG23 ILE A 18 -18.993 -24.743 -12.415 1.00 44.10 H new ATOM 0 HD11 ILE A 18 -17.096 -23.234 -9.527 1.00 74.22 H new ATOM 0 HD12 ILE A 18 -18.195 -24.289 -10.447 1.00 74.22 H new ATOM 0 HD13 ILE A 18 -16.437 -24.548 -10.531 1.00 74.22 H new ATOM 303 N GLY A 19 -16.274 -26.488 -14.764 1.00 35.22 N ATOM 304 CA GLY A 19 -16.199 -27.005 -16.110 1.00 35.40 C ATOM 305 C GLY A 19 -17.485 -27.670 -16.542 1.00 50.14 C ATOM 306 O GLY A 19 -18.173 -28.293 -15.729 1.00 51.31 O ATOM 0 H GLY A 19 -16.301 -27.195 -14.029 1.00 35.22 H new ATOM 0 HA2 GLY A 19 -15.965 -26.191 -16.797 1.00 35.40 H new ATOM 0 HA3 GLY A 19 -15.381 -27.723 -16.176 1.00 35.40 H new ATOM 310 N GLY A 20 -17.817 -27.526 -17.817 1.00 30.44 N ATOM 311 CA GLY A 20 -19.017 -28.140 -18.346 1.00 32.01 C ATOM 312 C GLY A 20 -20.247 -27.298 -18.094 1.00 42.41 C ATOM 313 O GLY A 20 -21.265 -27.802 -17.619 1.00 21.23 O ATOM 0 H GLY A 20 -17.274 -26.993 -18.496 1.00 30.44 H new ATOM 0 HA2 GLY A 20 -18.900 -28.298 -19.418 1.00 32.01 H new ATOM 0 HA3 GLY A 20 -19.151 -29.122 -17.892 1.00 32.01 H new ATOM 317 N LEU A 21 -20.155 -26.013 -18.403 1.00 32.44 N ATOM 318 CA LEU A 21 -21.278 -25.109 -18.207 1.00 24.01 C ATOM 319 C LEU A 21 -21.897 -24.694 -19.536 1.00 3.14 C ATOM 320 O LEU A 21 -21.442 -25.107 -20.605 1.00 64.24 O ATOM 321 CB LEU A 21 -20.866 -23.883 -17.371 1.00 52.30 C ATOM 322 CG LEU A 21 -19.513 -23.247 -17.706 1.00 73.12 C ATOM 323 CD1 LEU A 21 -19.593 -22.403 -18.967 1.00 21.15 C ATOM 324 CD2 LEU A 21 -19.031 -22.406 -16.536 1.00 23.45 C ATOM 0 H LEU A 21 -19.319 -25.575 -18.789 1.00 32.44 H new ATOM 0 HA LEU A 21 -22.042 -25.648 -17.647 1.00 24.01 H new ATOM 0 HB2 LEU A 21 -21.637 -23.121 -17.481 1.00 52.30 H new ATOM 0 HB3 LEU A 21 -20.854 -24.175 -16.321 1.00 52.30 H new ATOM 0 HG LEU A 21 -18.798 -24.049 -17.890 1.00 73.12 H new ATOM 0 HD11 LEU A 21 -18.616 -21.967 -19.175 1.00 21.15 H new ATOM 0 HD12 LEU A 21 -19.897 -23.030 -19.806 1.00 21.15 H new ATOM 0 HD13 LEU A 21 -20.323 -21.606 -18.826 1.00 21.15 H new ATOM 0 HD21 LEU A 21 -18.069 -21.957 -16.782 1.00 23.45 H new ATOM 0 HD22 LEU A 21 -19.756 -21.619 -16.331 1.00 23.45 H new ATOM 0 HD23 LEU A 21 -18.922 -23.038 -15.654 1.00 23.45 H new ATOM 336 N SER A 22 -22.937 -23.880 -19.453 1.00 52.32 N ATOM 337 CA SER A 22 -23.707 -23.481 -20.616 1.00 4.22 C ATOM 338 C SER A 22 -22.925 -22.495 -21.474 1.00 72.20 C ATOM 339 O SER A 22 -22.050 -21.782 -20.983 1.00 34.13 O ATOM 340 CB SER A 22 -25.031 -22.860 -20.157 1.00 24.30 C ATOM 341 OG SER A 22 -25.775 -22.332 -21.240 1.00 54.04 O ATOM 0 H SER A 22 -23.270 -23.478 -18.577 1.00 52.32 H new ATOM 0 HA SER A 22 -23.911 -24.362 -21.225 1.00 4.22 H new ATOM 0 HB2 SER A 22 -25.626 -23.615 -19.643 1.00 24.30 H new ATOM 0 HB3 SER A 22 -24.829 -22.068 -19.436 1.00 24.30 H new ATOM 0 HG SER A 22 -26.421 -21.676 -20.904 1.00 54.04 H new ATOM 347 N PHE A 23 -23.252 -22.448 -22.755 1.00 55.35 N ATOM 348 CA PHE A 23 -22.610 -21.518 -23.668 1.00 41.13 C ATOM 349 C PHE A 23 -23.196 -20.126 -23.491 1.00 2.33 C ATOM 350 O PHE A 23 -22.749 -19.162 -24.115 1.00 62.53 O ATOM 351 CB PHE A 23 -22.767 -21.989 -25.113 1.00 41.22 C ATOM 352 CG PHE A 23 -22.165 -23.341 -25.356 1.00 50.25 C ATOM 353 CD1 PHE A 23 -22.969 -24.429 -25.648 1.00 70.10 C ATOM 354 CD2 PHE A 23 -20.795 -23.525 -25.277 1.00 5.13 C ATOM 355 CE1 PHE A 23 -22.416 -25.676 -25.859 1.00 12.11 C ATOM 356 CE2 PHE A 23 -20.236 -24.770 -25.489 1.00 45.34 C ATOM 357 CZ PHE A 23 -21.047 -25.847 -25.780 1.00 63.22 C ATOM 0 H PHE A 23 -23.959 -23.044 -23.186 1.00 55.35 H new ATOM 0 HA PHE A 23 -21.545 -21.480 -23.438 1.00 41.13 H new ATOM 0 HB2 PHE A 23 -23.827 -22.018 -25.367 1.00 41.22 H new ATOM 0 HB3 PHE A 23 -22.299 -21.264 -25.779 1.00 41.22 H new ATOM 0 HD1 PHE A 23 -24.040 -24.301 -25.711 1.00 70.10 H new ATOM 0 HD2 PHE A 23 -20.156 -22.685 -25.047 1.00 5.13 H new ATOM 0 HE1 PHE A 23 -23.053 -26.518 -26.086 1.00 12.11 H new ATOM 0 HE2 PHE A 23 -19.166 -24.900 -25.427 1.00 45.34 H new ATOM 0 HZ PHE A 23 -20.613 -26.822 -25.946 1.00 63.22 H new ATOM 367 N GLU A 24 -24.210 -20.035 -22.639 1.00 64.23 N ATOM 368 CA GLU A 24 -24.805 -18.759 -22.287 1.00 43.54 C ATOM 369 C GLU A 24 -24.228 -18.277 -20.962 1.00 40.55 C ATOM 370 O GLU A 24 -24.465 -17.144 -20.536 1.00 32.34 O ATOM 371 CB GLU A 24 -26.326 -18.891 -22.181 1.00 45.41 C ATOM 372 CG GLU A 24 -26.951 -19.618 -23.359 1.00 11.34 C ATOM 373 CD GLU A 24 -28.465 -19.566 -23.351 1.00 53.52 C ATOM 374 OE1 GLU A 24 -29.033 -18.694 -24.039 1.00 41.41 O ATOM 375 OE2 GLU A 24 -29.095 -20.398 -22.667 1.00 41.40 O ATOM 0 H GLU A 24 -24.637 -20.838 -22.178 1.00 64.23 H new ATOM 0 HA GLU A 24 -24.575 -18.033 -23.066 1.00 43.54 H new ATOM 0 HB2 GLU A 24 -26.574 -19.422 -21.262 1.00 45.41 H new ATOM 0 HB3 GLU A 24 -26.765 -17.896 -22.103 1.00 45.41 H new ATOM 0 HG2 GLU A 24 -26.583 -19.179 -24.286 1.00 11.34 H new ATOM 0 HG3 GLU A 24 -26.629 -20.659 -23.349 1.00 11.34 H new ATOM 382 N THR A 25 -23.462 -19.150 -20.320 1.00 5.25 N ATOM 383 CA THR A 25 -22.838 -18.839 -19.048 1.00 23.14 C ATOM 384 C THR A 25 -21.638 -17.914 -19.235 1.00 13.31 C ATOM 385 O THR A 25 -20.559 -18.346 -19.639 1.00 14.21 O ATOM 386 CB THR A 25 -22.377 -20.121 -18.331 1.00 64.13 C ATOM 387 OG1 THR A 25 -23.478 -21.029 -18.193 1.00 45.01 O ATOM 388 CG2 THR A 25 -21.806 -19.803 -16.957 1.00 35.14 C ATOM 0 H THR A 25 -23.259 -20.087 -20.667 1.00 5.25 H new ATOM 0 HA THR A 25 -23.587 -18.335 -18.438 1.00 23.14 H new ATOM 0 HB THR A 25 -21.595 -20.583 -18.934 1.00 64.13 H new ATOM 0 HG1 THR A 25 -23.281 -21.676 -17.484 1.00 45.01 H new ATOM 0 HG21 THR A 25 -21.488 -20.726 -16.473 1.00 35.14 H new ATOM 0 HG22 THR A 25 -20.950 -19.136 -17.064 1.00 35.14 H new ATOM 0 HG23 THR A 25 -22.570 -19.319 -16.349 1.00 35.14 H new ATOM 396 N THR A 26 -21.849 -16.641 -18.964 1.00 35.10 N ATOM 397 CA THR A 26 -20.775 -15.667 -18.975 1.00 25.34 C ATOM 398 C THR A 26 -20.506 -15.217 -17.544 1.00 74.04 C ATOM 399 O THR A 26 -21.126 -15.732 -16.619 1.00 3.53 O ATOM 400 CB THR A 26 -21.112 -14.459 -19.884 1.00 52.42 C ATOM 401 OG1 THR A 26 -20.029 -13.520 -19.893 1.00 60.32 O ATOM 402 CG2 THR A 26 -22.385 -13.767 -19.424 1.00 74.32 C ATOM 0 H THR A 26 -22.764 -16.254 -18.731 1.00 35.10 H new ATOM 0 HA THR A 26 -19.878 -16.130 -19.388 1.00 25.34 H new ATOM 0 HB THR A 26 -21.267 -14.837 -20.894 1.00 52.42 H new ATOM 0 HG1 THR A 26 -20.257 -12.764 -20.473 1.00 60.32 H new ATOM 0 HG21 THR A 26 -22.598 -12.923 -20.080 1.00 74.32 H new ATOM 0 HG22 THR A 26 -23.215 -14.472 -19.459 1.00 74.32 H new ATOM 0 HG23 THR A 26 -22.256 -13.409 -18.403 1.00 74.32 H new ATOM 410 N ASP A 27 -19.595 -14.270 -17.369 1.00 35.13 N ATOM 411 CA ASP A 27 -19.192 -13.797 -16.041 1.00 10.41 C ATOM 412 C ASP A 27 -20.400 -13.461 -15.167 1.00 14.11 C ATOM 413 O ASP A 27 -20.534 -13.978 -14.054 1.00 35.42 O ATOM 414 CB ASP A 27 -18.284 -12.573 -16.180 1.00 32.21 C ATOM 415 CG ASP A 27 -18.038 -11.866 -14.864 1.00 43.14 C ATOM 416 OD1 ASP A 27 -17.058 -12.210 -14.178 1.00 3.32 O ATOM 417 OD2 ASP A 27 -18.817 -10.952 -14.521 1.00 0.34 O ATOM 0 H ASP A 27 -19.112 -13.805 -18.138 1.00 35.13 H new ATOM 0 HA ASP A 27 -18.646 -14.603 -15.550 1.00 10.41 H new ATOM 0 HB2 ASP A 27 -17.329 -12.883 -16.604 1.00 32.21 H new ATOM 0 HB3 ASP A 27 -18.733 -11.872 -16.884 1.00 32.21 H new ATOM 422 N GLU A 28 -21.288 -12.622 -15.687 1.00 4.13 N ATOM 423 CA GLU A 28 -22.471 -12.198 -14.944 1.00 4.24 C ATOM 424 C GLU A 28 -23.400 -13.374 -14.645 1.00 24.13 C ATOM 425 O GLU A 28 -24.015 -13.431 -13.583 1.00 14.21 O ATOM 426 CB GLU A 28 -23.225 -11.106 -15.710 1.00 31.51 C ATOM 427 CG GLU A 28 -23.698 -11.524 -17.094 1.00 53.34 C ATOM 428 CD GLU A 28 -24.409 -10.405 -17.831 1.00 24.11 C ATOM 429 OE1 GLU A 28 -23.721 -9.511 -18.366 1.00 73.44 O ATOM 430 OE2 GLU A 28 -25.656 -10.415 -17.887 1.00 25.35 O ATOM 0 H GLU A 28 -21.212 -12.221 -16.622 1.00 4.13 H new ATOM 0 HA GLU A 28 -22.132 -11.791 -13.991 1.00 4.24 H new ATOM 0 HB2 GLU A 28 -24.089 -10.797 -15.122 1.00 31.51 H new ATOM 0 HB3 GLU A 28 -22.578 -10.235 -15.808 1.00 31.51 H new ATOM 0 HG2 GLU A 28 -22.842 -11.854 -17.682 1.00 53.34 H new ATOM 0 HG3 GLU A 28 -24.370 -12.377 -17.002 1.00 53.34 H new ATOM 437 N SER A 29 -23.481 -14.323 -15.570 1.00 23.22 N ATOM 438 CA SER A 29 -24.353 -15.477 -15.395 1.00 63.23 C ATOM 439 C SER A 29 -23.713 -16.471 -14.431 1.00 70.05 C ATOM 440 O SER A 29 -24.397 -17.172 -13.688 1.00 34.34 O ATOM 441 CB SER A 29 -24.634 -16.141 -16.751 1.00 41.04 C ATOM 442 OG SER A 29 -25.535 -17.228 -16.623 1.00 54.11 O ATOM 0 H SER A 29 -22.956 -14.316 -16.445 1.00 23.22 H new ATOM 0 HA SER A 29 -25.302 -15.145 -14.973 1.00 63.23 H new ATOM 0 HB2 SER A 29 -25.048 -15.404 -17.439 1.00 41.04 H new ATOM 0 HB3 SER A 29 -23.698 -16.493 -17.186 1.00 41.04 H new ATOM 0 HG SER A 29 -25.866 -17.485 -17.509 1.00 54.11 H new ATOM 448 N LEU A 30 -22.389 -16.492 -14.428 1.00 1.42 N ATOM 449 CA LEU A 30 -21.635 -17.414 -13.597 1.00 1.12 C ATOM 450 C LEU A 30 -21.686 -16.963 -12.146 1.00 50.52 C ATOM 451 O LEU A 30 -22.141 -17.703 -11.273 1.00 61.41 O ATOM 452 CB LEU A 30 -20.179 -17.493 -14.094 1.00 22.45 C ATOM 453 CG LEU A 30 -19.314 -18.646 -13.546 1.00 4.01 C ATOM 454 CD1 LEU A 30 -18.895 -18.402 -12.103 1.00 50.11 C ATOM 455 CD2 LEU A 30 -20.049 -19.972 -13.669 1.00 20.02 C ATOM 0 H LEU A 30 -21.811 -15.874 -14.998 1.00 1.42 H new ATOM 0 HA LEU A 30 -22.078 -18.408 -13.664 1.00 1.12 H new ATOM 0 HB2 LEU A 30 -20.196 -17.569 -15.181 1.00 22.45 H new ATOM 0 HB3 LEU A 30 -19.686 -16.553 -13.848 1.00 22.45 H new ATOM 0 HG LEU A 30 -18.407 -18.689 -14.149 1.00 4.01 H new ATOM 0 HD11 LEU A 30 -18.287 -19.237 -11.754 1.00 50.11 H new ATOM 0 HD12 LEU A 30 -18.315 -17.481 -12.043 1.00 50.11 H new ATOM 0 HD13 LEU A 30 -19.783 -18.313 -11.477 1.00 50.11 H new ATOM 0 HD21 LEU A 30 -19.422 -20.773 -13.277 1.00 20.02 H new ATOM 0 HD22 LEU A 30 -20.978 -19.927 -13.101 1.00 20.02 H new ATOM 0 HD23 LEU A 30 -20.274 -20.167 -14.717 1.00 20.02 H new ATOM 467 N ARG A 31 -21.248 -15.735 -11.893 1.00 65.24 N ATOM 468 CA ARG A 31 -21.140 -15.253 -10.529 1.00 22.14 C ATOM 469 C ARG A 31 -22.517 -15.162 -9.877 1.00 23.21 C ATOM 470 O ARG A 31 -22.662 -15.475 -8.708 1.00 24.31 O ATOM 471 CB ARG A 31 -20.404 -13.903 -10.458 1.00 22.11 C ATOM 472 CG ARG A 31 -21.295 -12.680 -10.582 1.00 44.25 C ATOM 473 CD ARG A 31 -20.487 -11.393 -10.528 1.00 72.44 C ATOM 474 NE ARG A 31 -20.000 -11.116 -9.177 1.00 32.51 N ATOM 475 CZ ARG A 31 -18.947 -10.350 -8.895 1.00 45.53 C ATOM 476 NH1 ARG A 31 -18.219 -9.819 -9.868 1.00 13.35 N ATOM 477 NH2 ARG A 31 -18.615 -10.134 -7.630 1.00 53.11 N ATOM 0 H ARG A 31 -20.966 -15.065 -12.608 1.00 65.24 H new ATOM 0 HA ARG A 31 -20.544 -15.975 -9.971 1.00 22.14 H new ATOM 0 HB2 ARG A 31 -19.867 -13.848 -9.511 1.00 22.11 H new ATOM 0 HB3 ARG A 31 -19.657 -13.871 -11.251 1.00 22.11 H new ATOM 0 HG2 ARG A 31 -21.847 -12.725 -11.521 1.00 44.25 H new ATOM 0 HG3 ARG A 31 -22.031 -12.682 -9.778 1.00 44.25 H new ATOM 0 HD2 ARG A 31 -19.641 -11.465 -11.212 1.00 72.44 H new ATOM 0 HD3 ARG A 31 -21.103 -10.562 -10.870 1.00 72.44 H new ATOM 0 HE ARG A 31 -20.502 -11.539 -8.396 1.00 32.51 H new ATOM 0 HH11 ARG A 31 -18.463 -9.996 -10.842 1.00 13.35 H new ATOM 0 HH12 ARG A 31 -17.415 -9.234 -9.642 1.00 13.35 H new ATOM 0 HH21 ARG A 31 -19.164 -10.553 -6.880 1.00 53.11 H new ATOM 0 HH22 ARG A 31 -17.810 -9.549 -7.407 1.00 53.11 H new ATOM 491 N SER A 32 -23.533 -14.791 -10.646 1.00 71.51 N ATOM 492 CA SER A 32 -24.876 -14.630 -10.099 1.00 71.22 C ATOM 493 C SER A 32 -25.408 -15.952 -9.548 1.00 71.22 C ATOM 494 O SER A 32 -26.155 -15.971 -8.567 1.00 22.03 O ATOM 495 CB SER A 32 -25.825 -14.083 -11.172 1.00 74.31 C ATOM 496 OG SER A 32 -27.132 -13.880 -10.658 1.00 74.11 O ATOM 0 H SER A 32 -23.455 -14.597 -11.644 1.00 71.51 H new ATOM 0 HA SER A 32 -24.822 -13.917 -9.276 1.00 71.22 H new ATOM 0 HB2 SER A 32 -25.435 -13.141 -11.558 1.00 74.31 H new ATOM 0 HB3 SER A 32 -25.867 -14.778 -12.010 1.00 74.31 H new ATOM 0 HG SER A 32 -27.711 -13.530 -11.366 1.00 74.11 H new ATOM 502 N HIS A 33 -25.000 -17.056 -10.160 1.00 51.01 N ATOM 503 CA HIS A 33 -25.462 -18.367 -9.735 1.00 75.12 C ATOM 504 C HIS A 33 -24.508 -18.995 -8.721 1.00 24.43 C ATOM 505 O HIS A 33 -24.800 -20.045 -8.161 1.00 74.23 O ATOM 506 CB HIS A 33 -25.647 -19.293 -10.940 1.00 31.43 C ATOM 507 CG HIS A 33 -26.905 -19.029 -11.716 1.00 33.43 C ATOM 508 ND1 HIS A 33 -27.979 -19.886 -11.650 1.00 62.24 N ATOM 509 CD2 HIS A 33 -27.210 -18.009 -12.556 1.00 14.44 C ATOM 510 CE1 HIS A 33 -28.905 -19.374 -12.441 1.00 33.34 C ATOM 511 NE2 HIS A 33 -28.483 -18.239 -13.012 1.00 63.20 N ATOM 0 H HIS A 33 -24.353 -17.068 -10.949 1.00 51.01 H new ATOM 0 HA HIS A 33 -26.427 -18.233 -9.247 1.00 75.12 H new ATOM 0 HB2 HIS A 33 -24.791 -19.184 -11.605 1.00 31.43 H new ATOM 0 HB3 HIS A 33 -25.654 -20.327 -10.595 1.00 31.43 H new ATOM 0 HD2 HIS A 33 -26.573 -17.176 -12.816 1.00 14.44 H new ATOM 0 HE1 HIS A 33 -29.877 -19.814 -12.606 1.00 33.34 H new ATOM 0 HE2 HIS A 33 -29.009 -17.656 -13.663 1.00 63.20 H new ATOM 519 N PHE A 34 -23.373 -18.355 -8.477 1.00 60.10 N ATOM 520 CA PHE A 34 -22.430 -18.858 -7.483 1.00 44.35 C ATOM 521 C PHE A 34 -22.370 -17.960 -6.249 1.00 12.11 C ATOM 522 O PHE A 34 -21.997 -18.417 -5.169 1.00 44.14 O ATOM 523 CB PHE A 34 -21.033 -19.036 -8.079 1.00 43.41 C ATOM 524 CG PHE A 34 -20.847 -20.340 -8.804 1.00 11.43 C ATOM 525 CD1 PHE A 34 -20.193 -21.395 -8.189 1.00 41.41 C ATOM 526 CD2 PHE A 34 -21.326 -20.515 -10.092 1.00 71.23 C ATOM 527 CE1 PHE A 34 -20.019 -22.599 -8.844 1.00 65.22 C ATOM 528 CE2 PHE A 34 -21.155 -21.718 -10.752 1.00 62.22 C ATOM 529 CZ PHE A 34 -20.501 -22.761 -10.127 1.00 63.24 C ATOM 0 H PHE A 34 -23.083 -17.497 -8.946 1.00 60.10 H new ATOM 0 HA PHE A 34 -22.797 -19.835 -7.168 1.00 44.35 H new ATOM 0 HB2 PHE A 34 -20.835 -18.216 -8.769 1.00 43.41 H new ATOM 0 HB3 PHE A 34 -20.295 -18.966 -7.280 1.00 43.41 H new ATOM 0 HD1 PHE A 34 -19.814 -21.275 -7.185 1.00 41.41 H new ATOM 0 HD2 PHE A 34 -21.839 -19.703 -10.586 1.00 71.23 H new ATOM 0 HE1 PHE A 34 -19.506 -23.413 -8.352 1.00 65.22 H new ATOM 0 HE2 PHE A 34 -21.533 -21.842 -11.756 1.00 62.22 H new ATOM 0 HZ PHE A 34 -20.367 -23.701 -10.641 1.00 63.24 H new ATOM 539 N GLU A 35 -22.766 -16.694 -6.398 1.00 75.35 N ATOM 540 CA GLU A 35 -22.780 -15.743 -5.277 1.00 51.25 C ATOM 541 C GLU A 35 -23.928 -16.043 -4.315 1.00 22.31 C ATOM 542 O GLU A 35 -24.305 -15.207 -3.497 1.00 5.50 O ATOM 543 CB GLU A 35 -22.904 -14.296 -5.773 1.00 21.32 C ATOM 544 CG GLU A 35 -21.668 -13.759 -6.475 1.00 74.30 C ATOM 545 CD GLU A 35 -21.811 -12.307 -6.880 1.00 14.23 C ATOM 546 OE1 GLU A 35 -20.924 -11.498 -6.535 1.00 25.32 O ATOM 547 OE2 GLU A 35 -22.806 -11.958 -7.541 1.00 11.22 O ATOM 0 H GLU A 35 -23.082 -16.300 -7.284 1.00 75.35 H new ATOM 0 HA GLU A 35 -21.832 -15.858 -4.752 1.00 51.25 H new ATOM 0 HB2 GLU A 35 -23.751 -14.232 -6.457 1.00 21.32 H new ATOM 0 HB3 GLU A 35 -23.131 -13.653 -4.923 1.00 21.32 H new ATOM 0 HG2 GLU A 35 -20.806 -13.865 -5.816 1.00 74.30 H new ATOM 0 HG3 GLU A 35 -21.468 -14.361 -7.361 1.00 74.30 H new ATOM 554 N GLN A 36 -24.466 -17.247 -4.409 1.00 71.11 N ATOM 555 CA GLN A 36 -25.602 -17.648 -3.600 1.00 51.23 C ATOM 556 C GLN A 36 -25.158 -18.442 -2.381 1.00 10.33 C ATOM 557 O GLN A 36 -25.890 -18.548 -1.397 1.00 52.44 O ATOM 558 CB GLN A 36 -26.565 -18.471 -4.445 1.00 71.10 C ATOM 559 CG GLN A 36 -27.401 -17.625 -5.394 1.00 21.23 C ATOM 560 CD GLN A 36 -28.094 -18.434 -6.476 1.00 34.51 C ATOM 561 OE1 GLN A 36 -29.192 -18.089 -6.912 1.00 63.50 O ATOM 562 NE2 GLN A 36 -27.447 -19.491 -6.944 1.00 72.11 N ATOM 0 H GLN A 36 -24.129 -17.970 -5.045 1.00 71.11 H new ATOM 0 HA GLN A 36 -26.107 -16.750 -3.245 1.00 51.23 H new ATOM 0 HB2 GLN A 36 -25.999 -19.202 -5.023 1.00 71.10 H new ATOM 0 HB3 GLN A 36 -27.229 -19.031 -3.786 1.00 71.10 H new ATOM 0 HG2 GLN A 36 -28.152 -17.083 -4.819 1.00 21.23 H new ATOM 0 HG3 GLN A 36 -26.760 -16.879 -5.864 1.00 21.23 H new ATOM 0 HE21 GLN A 36 -26.538 -19.745 -6.557 1.00 72.11 H new ATOM 0 HE22 GLN A 36 -27.858 -20.050 -7.692 1.00 72.11 H new ATOM 571 N TRP A 37 -23.958 -19.000 -2.451 1.00 52.14 N ATOM 572 CA TRP A 37 -23.408 -19.760 -1.338 1.00 1.34 C ATOM 573 C TRP A 37 -22.171 -19.064 -0.799 1.00 31.42 C ATOM 574 O TRP A 37 -21.396 -19.639 -0.033 1.00 53.22 O ATOM 575 CB TRP A 37 -23.081 -21.196 -1.768 1.00 4.53 C ATOM 576 CG TRP A 37 -24.294 -21.966 -2.202 1.00 4.22 C ATOM 577 CD1 TRP A 37 -25.079 -22.757 -1.418 1.00 14.20 C ATOM 578 CD2 TRP A 37 -24.866 -22.017 -3.516 1.00 65.32 C ATOM 579 NE1 TRP A 37 -26.104 -23.289 -2.157 1.00 1.51 N ATOM 580 CE2 TRP A 37 -25.996 -22.854 -3.446 1.00 23.25 C ATOM 581 CE3 TRP A 37 -24.539 -21.437 -4.741 1.00 14.24 C ATOM 582 CZ2 TRP A 37 -26.795 -23.125 -4.551 1.00 1.00 C ATOM 583 CZ3 TRP A 37 -25.334 -21.709 -5.837 1.00 0.15 C ATOM 584 CH2 TRP A 37 -26.451 -22.545 -5.737 1.00 53.03 C ATOM 0 H TRP A 37 -23.347 -18.941 -3.266 1.00 52.14 H new ATOM 0 HA TRP A 37 -24.155 -19.811 -0.546 1.00 1.34 H new ATOM 0 HB2 TRP A 37 -22.361 -21.170 -2.586 1.00 4.53 H new ATOM 0 HB3 TRP A 37 -22.603 -21.718 -0.939 1.00 4.53 H new ATOM 0 HD1 TRP A 37 -24.917 -22.939 -0.366 1.00 14.20 H new ATOM 0 HE1 TRP A 37 -26.830 -23.910 -1.801 1.00 1.51 H new ATOM 0 HE3 TRP A 37 -23.681 -20.788 -4.831 1.00 14.24 H new ATOM 0 HZ2 TRP A 37 -27.657 -23.771 -4.473 1.00 1.00 H new ATOM 0 HZ3 TRP A 37 -25.088 -21.267 -6.791 1.00 0.15 H new ATOM 0 HH2 TRP A 37 -27.052 -22.735 -6.614 1.00 53.03 H new ATOM 595 N GLY A 38 -22.001 -17.811 -1.196 1.00 72.01 N ATOM 596 CA GLY A 38 -20.871 -17.037 -0.722 1.00 43.32 C ATOM 597 C GLY A 38 -20.609 -15.803 -1.560 1.00 43.31 C ATOM 598 O GLY A 38 -21.417 -15.443 -2.415 1.00 44.30 O ATOM 0 H GLY A 38 -22.623 -17.317 -1.836 1.00 72.01 H new ATOM 0 HA2 GLY A 38 -21.050 -16.738 0.311 1.00 43.32 H new ATOM 0 HA3 GLY A 38 -19.981 -17.666 -0.722 1.00 43.32 H new ATOM 602 N THR A 39 -19.476 -15.164 -1.314 1.00 24.42 N ATOM 603 CA THR A 39 -19.096 -13.949 -2.020 1.00 62.11 C ATOM 604 C THR A 39 -17.979 -14.242 -3.010 1.00 43.45 C ATOM 605 O THR A 39 -16.944 -14.769 -2.628 1.00 32.11 O ATOM 606 CB THR A 39 -18.621 -12.868 -1.024 1.00 32.44 C ATOM 607 OG1 THR A 39 -19.720 -12.439 -0.204 1.00 24.50 O ATOM 608 CG2 THR A 39 -18.009 -11.671 -1.745 1.00 10.34 C ATOM 0 H THR A 39 -18.794 -15.472 -0.620 1.00 24.42 H new ATOM 0 HA THR A 39 -19.971 -13.582 -2.557 1.00 62.11 H new ATOM 0 HB THR A 39 -17.848 -13.309 -0.395 1.00 32.44 H new ATOM 0 HG1 THR A 39 -19.411 -11.755 0.426 1.00 24.50 H new ATOM 0 HG21 THR A 39 -17.686 -10.931 -1.013 1.00 10.34 H new ATOM 0 HG22 THR A 39 -17.151 -11.999 -2.331 1.00 10.34 H new ATOM 0 HG23 THR A 39 -18.752 -11.226 -2.407 1.00 10.34 H new ATOM 616 N LEU A 40 -18.176 -13.915 -4.280 1.00 31.45 N ATOM 617 CA LEU A 40 -17.143 -14.171 -5.268 1.00 14.02 C ATOM 618 C LEU A 40 -16.256 -12.954 -5.419 1.00 74.42 C ATOM 619 O LEU A 40 -16.690 -11.905 -5.897 1.00 30.32 O ATOM 620 CB LEU A 40 -17.712 -14.555 -6.637 1.00 71.35 C ATOM 621 CG LEU A 40 -18.412 -15.914 -6.741 1.00 41.33 C ATOM 622 CD1 LEU A 40 -19.337 -16.202 -5.583 1.00 44.02 C ATOM 623 CD2 LEU A 40 -19.176 -15.999 -8.046 1.00 10.45 C ATOM 0 H LEU A 40 -19.024 -13.481 -4.643 1.00 31.45 H new ATOM 0 HA LEU A 40 -16.565 -15.020 -4.903 1.00 14.02 H new ATOM 0 HB2 LEU A 40 -18.422 -13.784 -6.938 1.00 71.35 H new ATOM 0 HB3 LEU A 40 -16.897 -14.537 -7.360 1.00 71.35 H new ATOM 0 HG LEU A 40 -17.630 -16.672 -6.709 1.00 41.33 H new ATOM 0 HD11 LEU A 40 -19.799 -17.180 -5.721 1.00 44.02 H new ATOM 0 HD12 LEU A 40 -18.768 -16.197 -4.653 1.00 44.02 H new ATOM 0 HD13 LEU A 40 -20.112 -15.437 -5.538 1.00 44.02 H new ATOM 0 HD21 LEU A 40 -19.672 -16.967 -8.115 1.00 10.45 H new ATOM 0 HD22 LEU A 40 -19.922 -15.206 -8.083 1.00 10.45 H new ATOM 0 HD23 LEU A 40 -18.484 -15.885 -8.881 1.00 10.45 H new ATOM 635 N THR A 41 -15.019 -13.102 -5.002 1.00 33.24 N ATOM 636 CA THR A 41 -14.040 -12.049 -5.125 1.00 20.31 C ATOM 637 C THR A 41 -13.482 -12.024 -6.543 1.00 40.12 C ATOM 638 O THR A 41 -13.111 -10.972 -7.067 1.00 23.35 O ATOM 639 CB THR A 41 -12.899 -12.255 -4.113 1.00 41.44 C ATOM 640 OG1 THR A 41 -12.320 -13.556 -4.288 1.00 24.14 O ATOM 641 CG2 THR A 41 -13.414 -12.118 -2.689 1.00 21.24 C ATOM 0 H THR A 41 -14.665 -13.955 -4.569 1.00 33.24 H new ATOM 0 HA THR A 41 -14.523 -11.095 -4.914 1.00 20.31 H new ATOM 0 HB THR A 41 -12.142 -11.491 -4.289 1.00 41.44 H new ATOM 0 HG1 THR A 41 -11.594 -13.680 -3.642 1.00 24.14 H new ATOM 0 HG21 THR A 41 -12.592 -12.267 -1.989 1.00 21.24 H new ATOM 0 HG22 THR A 41 -13.834 -11.122 -2.548 1.00 21.24 H new ATOM 0 HG23 THR A 41 -14.185 -12.866 -2.508 1.00 21.24 H new ATOM 649 N ASP A 42 -13.478 -13.187 -7.178 1.00 14.11 N ATOM 650 CA ASP A 42 -12.899 -13.331 -8.505 1.00 43.41 C ATOM 651 C ASP A 42 -13.719 -14.296 -9.333 1.00 25.13 C ATOM 652 O ASP A 42 -13.609 -15.509 -9.181 1.00 65.34 O ATOM 653 CB ASP A 42 -11.460 -13.837 -8.417 1.00 3.33 C ATOM 654 CG ASP A 42 -10.742 -13.806 -9.753 1.00 3.13 C ATOM 655 OD1 ASP A 42 -10.745 -14.832 -10.462 1.00 54.31 O ATOM 656 OD2 ASP A 42 -10.158 -12.754 -10.090 1.00 73.31 O ATOM 0 H ASP A 42 -13.870 -14.047 -6.794 1.00 14.11 H new ATOM 0 HA ASP A 42 -12.901 -12.350 -8.981 1.00 43.41 H new ATOM 0 HB2 ASP A 42 -10.909 -13.229 -7.700 1.00 3.33 H new ATOM 0 HB3 ASP A 42 -11.462 -14.858 -8.034 1.00 3.33 H new ATOM 661 N CYS A 43 -14.572 -13.763 -10.174 1.00 15.42 N ATOM 662 CA CYS A 43 -15.349 -14.590 -11.066 1.00 2.35 C ATOM 663 C CYS A 43 -14.910 -14.324 -12.497 1.00 25.43 C ATOM 664 O CYS A 43 -14.739 -13.170 -12.890 1.00 72.12 O ATOM 665 CB CYS A 43 -16.840 -14.299 -10.882 1.00 24.12 C ATOM 666 SG CYS A 43 -17.304 -12.594 -11.261 1.00 74.41 S ATOM 0 H CYS A 43 -14.746 -12.762 -10.260 1.00 15.42 H new ATOM 0 HA CYS A 43 -15.184 -15.643 -10.838 1.00 2.35 H new ATOM 0 HB2 CYS A 43 -17.413 -14.972 -11.520 1.00 24.12 H new ATOM 0 HB3 CYS A 43 -17.119 -14.521 -9.852 1.00 24.12 H new ATOM 0 HG CYS A 43 -17.389 -12.443 -12.549 1.00 74.41 H new ATOM 672 N VAL A 44 -14.686 -15.376 -13.262 1.00 12.14 N ATOM 673 CA VAL A 44 -14.213 -15.216 -14.626 1.00 14.32 C ATOM 674 C VAL A 44 -14.509 -16.451 -15.468 1.00 23.40 C ATOM 675 O VAL A 44 -14.097 -17.560 -15.143 1.00 12.31 O ATOM 676 CB VAL A 44 -12.694 -14.902 -14.667 1.00 21.21 C ATOM 677 CG1 VAL A 44 -11.887 -15.946 -13.903 1.00 22.21 C ATOM 678 CG2 VAL A 44 -12.204 -14.792 -16.104 1.00 62.25 C ATOM 0 H VAL A 44 -14.822 -16.343 -12.967 1.00 12.14 H new ATOM 0 HA VAL A 44 -14.754 -14.370 -15.050 1.00 14.32 H new ATOM 0 HB VAL A 44 -12.543 -13.941 -14.176 1.00 21.21 H new ATOM 0 HG11 VAL A 44 -10.828 -15.695 -13.953 1.00 22.21 H new ATOM 0 HG12 VAL A 44 -12.208 -15.963 -12.861 1.00 22.21 H new ATOM 0 HG13 VAL A 44 -12.048 -16.928 -14.348 1.00 22.21 H new ATOM 0 HG21 VAL A 44 -11.137 -14.571 -16.109 1.00 62.25 H new ATOM 0 HG22 VAL A 44 -12.382 -15.734 -16.622 1.00 62.25 H new ATOM 0 HG23 VAL A 44 -12.742 -13.991 -16.612 1.00 62.25 H new ATOM 688 N VAL A 45 -15.252 -16.253 -16.539 1.00 45.40 N ATOM 689 CA VAL A 45 -15.499 -17.315 -17.494 1.00 35.55 C ATOM 690 C VAL A 45 -14.576 -17.139 -18.688 1.00 53.31 C ATOM 691 O VAL A 45 -14.309 -16.012 -19.101 1.00 22.50 O ATOM 692 CB VAL A 45 -16.965 -17.322 -17.973 1.00 70.53 C ATOM 693 CG1 VAL A 45 -17.186 -18.413 -19.006 1.00 3.14 C ATOM 694 CG2 VAL A 45 -17.909 -17.499 -16.796 1.00 21.50 C ATOM 0 H VAL A 45 -15.696 -15.364 -16.770 1.00 45.40 H new ATOM 0 HA VAL A 45 -15.304 -18.267 -17.000 1.00 35.55 H new ATOM 0 HB VAL A 45 -17.177 -16.361 -18.442 1.00 70.53 H new ATOM 0 HG11 VAL A 45 -18.226 -18.401 -19.331 1.00 3.14 H new ATOM 0 HG12 VAL A 45 -16.536 -18.239 -19.864 1.00 3.14 H new ATOM 0 HG13 VAL A 45 -16.955 -19.383 -18.566 1.00 3.14 H new ATOM 0 HG21 VAL A 45 -18.939 -17.502 -17.153 1.00 21.50 H new ATOM 0 HG22 VAL A 45 -17.695 -18.444 -16.297 1.00 21.50 H new ATOM 0 HG23 VAL A 45 -17.771 -16.678 -16.092 1.00 21.50 H new ATOM 704 N MET A 46 -14.077 -18.239 -19.227 1.00 51.00 N ATOM 705 CA MET A 46 -13.205 -18.178 -20.387 1.00 25.31 C ATOM 706 C MET A 46 -14.034 -18.073 -21.654 1.00 73.41 C ATOM 707 O MET A 46 -15.005 -18.810 -21.832 1.00 14.12 O ATOM 708 CB MET A 46 -12.301 -19.408 -20.461 1.00 21.23 C ATOM 709 CG MET A 46 -11.432 -19.604 -19.235 1.00 73.02 C ATOM 710 SD MET A 46 -10.373 -18.191 -18.907 1.00 4.00 S ATOM 711 CE MET A 46 -9.625 -18.731 -17.378 1.00 22.42 C ATOM 0 H MET A 46 -14.260 -19.181 -18.881 1.00 51.00 H new ATOM 0 HA MET A 46 -12.574 -17.294 -20.291 1.00 25.31 H new ATOM 0 HB2 MET A 46 -12.920 -20.294 -20.601 1.00 21.23 H new ATOM 0 HB3 MET A 46 -11.661 -19.324 -21.339 1.00 21.23 H new ATOM 0 HG2 MET A 46 -12.068 -19.786 -18.369 1.00 73.02 H new ATOM 0 HG3 MET A 46 -10.815 -20.492 -19.370 1.00 73.02 H new ATOM 0 HE1 MET A 46 -8.732 -18.138 -17.180 1.00 22.42 H new ATOM 0 HE2 MET A 46 -10.334 -18.602 -16.561 1.00 22.42 H new ATOM 0 HE3 MET A 46 -9.351 -19.783 -17.459 1.00 22.42 H new ATOM 856 N ARG A 55 -16.357 -20.742 -23.584 1.00 2.25 N ATOM 857 CA ARG A 55 -15.489 -21.897 -23.763 1.00 32.31 C ATOM 858 C ARG A 55 -16.033 -23.115 -23.022 1.00 70.24 C ATOM 859 O ARG A 55 -15.396 -24.166 -22.984 1.00 54.32 O ATOM 860 CB ARG A 55 -14.072 -21.582 -23.290 1.00 41.35 C ATOM 861 CG ARG A 55 -13.246 -20.830 -24.316 1.00 2.53 C ATOM 862 CD ARG A 55 -11.811 -20.635 -23.856 1.00 21.42 C ATOM 863 NE ARG A 55 -11.102 -21.901 -23.670 1.00 14.55 N ATOM 864 CZ ARG A 55 -9.773 -22.000 -23.582 1.00 62.31 C ATOM 865 NH1 ARG A 55 -9.014 -20.911 -23.652 1.00 3.22 N ATOM 866 NH2 ARG A 55 -9.200 -23.185 -23.411 1.00 42.32 N ATOM 0 HA ARG A 55 -15.461 -22.131 -24.827 1.00 32.31 H new ATOM 0 HB2 ARG A 55 -14.125 -20.992 -22.375 1.00 41.35 H new ATOM 0 HB3 ARG A 55 -13.565 -22.514 -23.039 1.00 41.35 H new ATOM 0 HG2 ARG A 55 -13.254 -21.376 -25.259 1.00 2.53 H new ATOM 0 HG3 ARG A 55 -13.701 -19.858 -24.507 1.00 2.53 H new ATOM 0 HD2 ARG A 55 -11.278 -20.029 -24.588 1.00 21.42 H new ATOM 0 HD3 ARG A 55 -11.806 -20.079 -22.918 1.00 21.42 H new ATOM 0 HE ARG A 55 -11.654 -22.756 -23.604 1.00 14.55 H new ATOM 0 HH11 ARG A 55 -9.446 -19.995 -23.773 1.00 3.22 H new ATOM 0 HH12 ARG A 55 -7.999 -20.991 -23.584 1.00 3.22 H new ATOM 0 HH21 ARG A 55 -9.775 -24.025 -23.346 1.00 42.32 H new ATOM 0 HH22 ARG A 55 -8.185 -23.256 -23.344 1.00 42.32 H new ATOM 880 N GLY A 56 -17.212 -22.962 -22.431 1.00 31.51 N ATOM 881 CA GLY A 56 -17.859 -24.077 -21.763 1.00 11.41 C ATOM 882 C GLY A 56 -17.311 -24.347 -20.375 1.00 63.32 C ATOM 883 O GLY A 56 -17.569 -25.407 -19.800 1.00 22.45 O ATOM 0 H GLY A 56 -17.732 -22.085 -22.402 1.00 31.51 H new ATOM 0 HA2 GLY A 56 -18.928 -23.877 -21.691 1.00 11.41 H new ATOM 0 HA3 GLY A 56 -17.743 -24.973 -22.372 1.00 11.41 H new ATOM 887 N PHE A 57 -16.570 -23.389 -19.826 1.00 33.42 N ATOM 888 CA PHE A 57 -16.035 -23.521 -18.475 1.00 71.42 C ATOM 889 C PHE A 57 -15.553 -22.167 -17.956 1.00 72.42 C ATOM 890 O PHE A 57 -15.294 -21.246 -18.738 1.00 11.22 O ATOM 891 CB PHE A 57 -14.898 -24.554 -18.429 1.00 1.20 C ATOM 892 CG PHE A 57 -13.606 -24.084 -19.030 1.00 13.31 C ATOM 893 CD1 PHE A 57 -12.557 -23.710 -18.213 1.00 22.23 C ATOM 894 CD2 PHE A 57 -13.444 -24.008 -20.401 1.00 14.01 C ATOM 895 CE1 PHE A 57 -11.367 -23.265 -18.750 1.00 32.53 C ATOM 896 CE2 PHE A 57 -12.256 -23.567 -20.947 1.00 72.44 C ATOM 897 CZ PHE A 57 -11.215 -23.193 -20.120 1.00 75.33 C ATOM 0 H PHE A 57 -16.327 -22.516 -20.294 1.00 33.42 H new ATOM 0 HA PHE A 57 -16.837 -23.875 -17.827 1.00 71.42 H new ATOM 0 HB2 PHE A 57 -14.720 -24.834 -17.391 1.00 1.20 H new ATOM 0 HB3 PHE A 57 -15.221 -25.455 -18.951 1.00 1.20 H new ATOM 0 HD1 PHE A 57 -12.670 -23.767 -17.140 1.00 22.23 H new ATOM 0 HD2 PHE A 57 -14.256 -24.297 -21.052 1.00 14.01 H new ATOM 0 HE1 PHE A 57 -10.556 -22.973 -18.100 1.00 32.53 H new ATOM 0 HE2 PHE A 57 -12.140 -23.514 -22.019 1.00 72.44 H new ATOM 0 HZ PHE A 57 -10.285 -22.845 -20.544 1.00 75.33 H new ATOM 907 N GLY A 58 -15.442 -22.051 -16.639 1.00 42.03 N ATOM 908 CA GLY A 58 -15.018 -20.808 -16.029 1.00 14.23 C ATOM 909 C GLY A 58 -14.492 -21.012 -14.621 1.00 12.35 C ATOM 910 O GLY A 58 -14.346 -22.146 -14.167 1.00 41.43 O ATOM 0 H GLY A 58 -15.640 -22.803 -15.979 1.00 42.03 H new ATOM 0 HA2 GLY A 58 -14.242 -20.350 -16.642 1.00 14.23 H new ATOM 0 HA3 GLY A 58 -15.857 -20.112 -16.005 1.00 14.23 H new ATOM 914 N PHE A 59 -14.206 -19.917 -13.931 1.00 3.00 N ATOM 915 CA PHE A 59 -13.671 -19.977 -12.578 1.00 30.42 C ATOM 916 C PHE A 59 -14.439 -19.051 -11.644 1.00 75.11 C ATOM 917 O PHE A 59 -15.030 -18.059 -12.078 1.00 70.23 O ATOM 918 CB PHE A 59 -12.188 -19.601 -12.570 1.00 55.00 C ATOM 919 CG PHE A 59 -11.305 -20.609 -13.248 1.00 62.14 C ATOM 920 CD1 PHE A 59 -10.778 -21.671 -12.534 1.00 35.44 C ATOM 921 CD2 PHE A 59 -10.998 -20.491 -14.594 1.00 60.11 C ATOM 922 CE1 PHE A 59 -9.961 -22.596 -13.149 1.00 13.41 C ATOM 923 CE2 PHE A 59 -10.182 -21.416 -15.215 1.00 13.41 C ATOM 924 CZ PHE A 59 -9.662 -22.469 -14.492 1.00 12.12 C ATOM 0 H PHE A 59 -14.337 -18.971 -14.289 1.00 3.00 H new ATOM 0 HA PHE A 59 -13.783 -21.001 -12.222 1.00 30.42 H new ATOM 0 HB2 PHE A 59 -12.065 -18.635 -13.060 1.00 55.00 H new ATOM 0 HB3 PHE A 59 -11.859 -19.479 -11.538 1.00 55.00 H new ATOM 0 HD1 PHE A 59 -11.009 -21.776 -11.484 1.00 35.44 H new ATOM 0 HD2 PHE A 59 -11.401 -19.667 -15.164 1.00 60.11 H new ATOM 0 HE1 PHE A 59 -9.555 -23.420 -12.581 1.00 13.41 H new ATOM 0 HE2 PHE A 59 -9.951 -21.315 -16.265 1.00 13.41 H new ATOM 0 HZ PHE A 59 -9.022 -23.193 -14.975 1.00 12.12 H new ATOM 934 N VAL A 60 -14.413 -19.385 -10.364 1.00 52.33 N ATOM 935 CA VAL A 60 -15.134 -18.637 -9.344 1.00 42.20 C ATOM 936 C VAL A 60 -14.392 -18.695 -8.008 1.00 72.40 C ATOM 937 O VAL A 60 -14.207 -19.763 -7.436 1.00 12.24 O ATOM 938 CB VAL A 60 -16.573 -19.176 -9.189 1.00 24.24 C ATOM 939 CG1 VAL A 60 -16.596 -20.681 -9.067 1.00 42.43 C ATOM 940 CG2 VAL A 60 -17.242 -18.558 -7.993 1.00 33.24 C ATOM 0 H VAL A 60 -13.891 -20.183 -10.001 1.00 52.33 H new ATOM 0 HA VAL A 60 -15.190 -17.595 -9.660 1.00 42.20 H new ATOM 0 HB VAL A 60 -17.121 -18.901 -10.090 1.00 24.24 H new ATOM 0 HG11 VAL A 60 -17.626 -21.022 -8.960 1.00 42.43 H new ATOM 0 HG12 VAL A 60 -16.158 -21.125 -9.961 1.00 42.43 H new ATOM 0 HG13 VAL A 60 -16.021 -20.984 -8.192 1.00 42.43 H new ATOM 0 HG21 VAL A 60 -18.255 -18.950 -7.900 1.00 33.24 H new ATOM 0 HG22 VAL A 60 -16.675 -18.800 -7.094 1.00 33.24 H new ATOM 0 HG23 VAL A 60 -17.281 -17.476 -8.117 1.00 33.24 H new ATOM 950 N THR A 61 -13.943 -17.546 -7.531 1.00 61.10 N ATOM 951 CA THR A 61 -13.220 -17.476 -6.274 1.00 35.40 C ATOM 952 C THR A 61 -14.097 -16.851 -5.207 1.00 5.11 C ATOM 953 O THR A 61 -14.620 -15.757 -5.394 1.00 13.44 O ATOM 954 CB THR A 61 -11.929 -16.647 -6.412 1.00 72.51 C ATOM 955 OG1 THR A 61 -11.128 -17.153 -7.482 1.00 41.43 O ATOM 956 CG2 THR A 61 -11.116 -16.673 -5.128 1.00 51.32 C ATOM 0 H THR A 61 -14.067 -16.647 -7.997 1.00 61.10 H new ATOM 0 HA THR A 61 -12.951 -18.493 -5.990 1.00 35.40 H new ATOM 0 HB THR A 61 -12.220 -15.618 -6.622 1.00 72.51 H new ATOM 0 HG1 THR A 61 -10.187 -17.167 -7.208 1.00 41.43 H new ATOM 0 HG21 THR A 61 -10.211 -16.079 -5.258 1.00 51.32 H new ATOM 0 HG22 THR A 61 -11.709 -16.257 -4.313 1.00 51.32 H new ATOM 0 HG23 THR A 61 -10.844 -17.701 -4.891 1.00 51.32 H new ATOM 964 N TYR A 62 -14.264 -17.548 -4.102 1.00 63.03 N ATOM 965 CA TYR A 62 -15.085 -17.051 -3.014 1.00 32.21 C ATOM 966 C TYR A 62 -14.261 -16.199 -2.052 1.00 43.33 C ATOM 967 O TYR A 62 -13.045 -16.071 -2.207 1.00 34.11 O ATOM 968 CB TYR A 62 -15.749 -18.215 -2.278 1.00 43.15 C ATOM 969 CG TYR A 62 -16.915 -18.820 -3.031 1.00 71.25 C ATOM 970 CD1 TYR A 62 -18.216 -18.429 -2.747 1.00 22.14 C ATOM 971 CD2 TYR A 62 -16.721 -19.779 -4.019 1.00 14.55 C ATOM 972 CE1 TYR A 62 -19.289 -18.973 -3.421 1.00 34.41 C ATOM 973 CE2 TYR A 62 -17.793 -20.327 -4.701 1.00 2.11 C ATOM 974 CZ TYR A 62 -19.074 -19.920 -4.395 1.00 11.34 C ATOM 975 OH TYR A 62 -20.145 -20.460 -5.066 1.00 73.01 O ATOM 0 H TYR A 62 -13.842 -18.461 -3.932 1.00 63.03 H new ATOM 0 HA TYR A 62 -15.865 -16.417 -3.434 1.00 32.21 H new ATOM 0 HB2 TYR A 62 -15.005 -18.990 -2.094 1.00 43.15 H new ATOM 0 HB3 TYR A 62 -16.096 -17.868 -1.305 1.00 43.15 H new ATOM 0 HD1 TYR A 62 -18.391 -17.685 -1.984 1.00 22.14 H new ATOM 0 HD2 TYR A 62 -15.718 -20.101 -4.258 1.00 14.55 H new ATOM 0 HE1 TYR A 62 -20.294 -18.657 -3.185 1.00 34.41 H new ATOM 0 HE2 TYR A 62 -17.627 -21.069 -5.468 1.00 2.11 H new ATOM 0 HH TYR A 62 -20.890 -19.823 -5.060 1.00 73.01 H new ATOM 985 N ALA A 63 -14.932 -15.618 -1.062 1.00 24.12 N ATOM 986 CA ALA A 63 -14.284 -14.734 -0.103 1.00 12.31 C ATOM 987 C ALA A 63 -13.454 -15.534 0.882 1.00 42.23 C ATOM 988 O ALA A 63 -12.533 -15.012 1.512 1.00 5.22 O ATOM 989 CB ALA A 63 -15.318 -13.897 0.635 1.00 13.51 C ATOM 0 H ALA A 63 -15.931 -15.746 -0.904 1.00 24.12 H new ATOM 0 HA ALA A 63 -13.621 -14.063 -0.650 1.00 12.31 H new ATOM 0 HB1 ALA A 63 -14.815 -13.243 1.347 1.00 13.51 H new ATOM 0 HB2 ALA A 63 -15.876 -13.294 -0.081 1.00 13.51 H new ATOM 0 HB3 ALA A 63 -16.005 -14.554 1.168 1.00 13.51 H new ATOM 995 N THR A 64 -13.799 -16.802 1.015 1.00 44.04 N ATOM 996 CA THR A 64 -13.067 -17.712 1.867 1.00 34.45 C ATOM 997 C THR A 64 -13.347 -19.154 1.454 1.00 50.13 C ATOM 998 O THR A 64 -14.314 -19.433 0.738 1.00 4.20 O ATOM 999 CB THR A 64 -13.408 -17.497 3.362 1.00 23.13 C ATOM 1000 OG1 THR A 64 -12.814 -18.528 4.163 1.00 35.21 O ATOM 1001 CG2 THR A 64 -14.910 -17.475 3.586 1.00 61.15 C ATOM 0 H THR A 64 -14.593 -17.226 0.535 1.00 44.04 H new ATOM 0 HA THR A 64 -12.004 -17.506 1.744 1.00 34.45 H new ATOM 0 HB THR A 64 -13.001 -16.530 3.660 1.00 23.13 H new ATOM 0 HG1 THR A 64 -13.036 -18.379 5.106 1.00 35.21 H new ATOM 0 HG21 THR A 64 -15.118 -17.322 4.645 1.00 61.15 H new ATOM 0 HG22 THR A 64 -15.352 -16.663 3.009 1.00 61.15 H new ATOM 0 HG23 THR A 64 -15.340 -18.424 3.265 1.00 61.15 H new ATOM 1009 N VAL A 65 -12.491 -20.055 1.906 1.00 23.12 N ATOM 1010 CA VAL A 65 -12.555 -21.464 1.542 1.00 55.24 C ATOM 1011 C VAL A 65 -13.878 -22.117 1.967 1.00 62.45 C ATOM 1012 O VAL A 65 -14.387 -23.002 1.276 1.00 72.41 O ATOM 1013 CB VAL A 65 -11.359 -22.225 2.160 1.00 2.43 C ATOM 1014 CG1 VAL A 65 -11.262 -21.958 3.652 1.00 73.15 C ATOM 1015 CG2 VAL A 65 -11.452 -23.717 1.888 1.00 3.30 C ATOM 0 H VAL A 65 -11.725 -19.829 2.541 1.00 23.12 H new ATOM 0 HA VAL A 65 -12.503 -21.523 0.455 1.00 55.24 H new ATOM 0 HB VAL A 65 -10.451 -21.855 1.684 1.00 2.43 H new ATOM 0 HG11 VAL A 65 -10.414 -22.504 4.065 1.00 73.15 H new ATOM 0 HG12 VAL A 65 -11.124 -20.890 3.822 1.00 73.15 H new ATOM 0 HG13 VAL A 65 -12.178 -22.288 4.141 1.00 73.15 H new ATOM 0 HG21 VAL A 65 -10.596 -24.222 2.336 1.00 3.30 H new ATOM 0 HG22 VAL A 65 -12.372 -24.109 2.321 1.00 3.30 H new ATOM 0 HG23 VAL A 65 -11.454 -23.891 0.812 1.00 3.30 H new ATOM 1025 N GLU A 66 -14.453 -21.659 3.076 1.00 20.33 N ATOM 1026 CA GLU A 66 -15.675 -22.267 3.602 1.00 23.32 C ATOM 1027 C GLU A 66 -16.885 -21.959 2.720 1.00 63.11 C ATOM 1028 O GLU A 66 -17.927 -22.606 2.834 1.00 13.15 O ATOM 1029 CB GLU A 66 -15.941 -21.810 5.036 1.00 0.13 C ATOM 1030 CG GLU A 66 -16.100 -20.310 5.182 1.00 2.45 C ATOM 1031 CD GLU A 66 -16.589 -19.916 6.556 1.00 14.33 C ATOM 1032 OE1 GLU A 66 -17.818 -19.778 6.732 1.00 71.44 O ATOM 1033 OE2 GLU A 66 -15.755 -19.742 7.464 1.00 23.41 O ATOM 0 H GLU A 66 -14.097 -20.876 3.625 1.00 20.33 H new ATOM 0 HA GLU A 66 -15.522 -23.346 3.600 1.00 23.32 H new ATOM 0 HB2 GLU A 66 -16.844 -22.299 5.401 1.00 0.13 H new ATOM 0 HB3 GLU A 66 -15.120 -22.142 5.671 1.00 0.13 H new ATOM 0 HG2 GLU A 66 -15.144 -19.825 4.986 1.00 2.45 H new ATOM 0 HG3 GLU A 66 -16.802 -19.946 4.431 1.00 2.45 H new ATOM 1040 N GLU A 67 -16.753 -20.971 1.842 1.00 63.01 N ATOM 1041 CA GLU A 67 -17.817 -20.661 0.899 1.00 21.54 C ATOM 1042 C GLU A 67 -17.721 -21.591 -0.299 1.00 1.32 C ATOM 1043 O GLU A 67 -18.732 -22.033 -0.843 1.00 61.33 O ATOM 1044 CB GLU A 67 -17.742 -19.207 0.451 1.00 21.15 C ATOM 1045 CG GLU A 67 -17.653 -18.227 1.601 1.00 20.04 C ATOM 1046 CD GLU A 67 -17.971 -16.809 1.182 1.00 44.12 C ATOM 1047 OE1 GLU A 67 -17.397 -16.336 0.184 1.00 55.31 O ATOM 1048 OE2 GLU A 67 -18.796 -16.160 1.858 1.00 22.02 O ATOM 0 H GLU A 67 -15.927 -20.377 1.765 1.00 63.01 H new ATOM 0 HA GLU A 67 -18.777 -20.808 1.393 1.00 21.54 H new ATOM 0 HB2 GLU A 67 -16.873 -19.078 -0.195 1.00 21.15 H new ATOM 0 HB3 GLU A 67 -18.622 -18.973 -0.148 1.00 21.15 H new ATOM 0 HG2 GLU A 67 -18.342 -18.533 2.388 1.00 20.04 H new ATOM 0 HG3 GLU A 67 -16.649 -18.260 2.025 1.00 20.04 H new ATOM 1055 N VAL A 68 -16.488 -21.890 -0.698 1.00 54.43 N ATOM 1056 CA VAL A 68 -16.233 -22.912 -1.705 1.00 53.50 C ATOM 1057 C VAL A 68 -16.811 -24.237 -1.240 1.00 63.21 C ATOM 1058 O VAL A 68 -17.462 -24.953 -2.002 1.00 63.51 O ATOM 1059 CB VAL A 68 -14.719 -23.073 -1.973 1.00 63.21 C ATOM 1060 CG1 VAL A 68 -14.410 -24.423 -2.612 1.00 0.31 C ATOM 1061 CG2 VAL A 68 -14.222 -21.946 -2.858 1.00 2.23 C ATOM 0 H VAL A 68 -15.648 -21.437 -0.337 1.00 54.43 H new ATOM 0 HA VAL A 68 -16.711 -22.601 -2.634 1.00 53.50 H new ATOM 0 HB VAL A 68 -14.200 -23.029 -1.015 1.00 63.21 H new ATOM 0 HG11 VAL A 68 -13.337 -24.505 -2.788 1.00 0.31 H new ATOM 0 HG12 VAL A 68 -14.731 -25.223 -1.945 1.00 0.31 H new ATOM 0 HG13 VAL A 68 -14.941 -24.507 -3.560 1.00 0.31 H new ATOM 0 HG21 VAL A 68 -13.154 -22.070 -3.040 1.00 2.23 H new ATOM 0 HG22 VAL A 68 -14.757 -21.966 -3.808 1.00 2.23 H new ATOM 0 HG23 VAL A 68 -14.397 -20.991 -2.363 1.00 2.23 H new ATOM 1071 N ASP A 69 -16.581 -24.534 0.030 1.00 4.54 N ATOM 1072 CA ASP A 69 -17.096 -25.744 0.648 1.00 34.31 C ATOM 1073 C ASP A 69 -18.615 -25.791 0.524 1.00 33.12 C ATOM 1074 O ASP A 69 -19.189 -26.826 0.193 1.00 43.05 O ATOM 1075 CB ASP A 69 -16.679 -25.790 2.120 1.00 40.02 C ATOM 1076 CG ASP A 69 -16.951 -27.131 2.768 1.00 32.31 C ATOM 1077 OD1 ASP A 69 -18.001 -27.283 3.424 1.00 73.14 O ATOM 1078 OD2 ASP A 69 -16.099 -28.036 2.640 1.00 64.31 O ATOM 0 H ASP A 69 -16.034 -23.945 0.658 1.00 4.54 H new ATOM 0 HA ASP A 69 -16.681 -26.612 0.136 1.00 34.31 H new ATOM 0 HB2 ASP A 69 -15.616 -25.563 2.198 1.00 40.02 H new ATOM 0 HB3 ASP A 69 -17.212 -25.013 2.668 1.00 40.02 H new ATOM 1083 N ALA A 70 -19.257 -24.647 0.742 1.00 13.42 N ATOM 1084 CA ALA A 70 -20.709 -24.557 0.676 1.00 60.24 C ATOM 1085 C ALA A 70 -21.205 -24.795 -0.746 1.00 33.20 C ATOM 1086 O ALA A 70 -22.229 -25.448 -0.953 1.00 55.41 O ATOM 1087 CB ALA A 70 -21.181 -23.203 1.183 1.00 50.52 C ATOM 0 H ALA A 70 -18.791 -23.768 0.966 1.00 13.42 H new ATOM 0 HA ALA A 70 -21.127 -25.334 1.316 1.00 60.24 H new ATOM 0 HB1 ALA A 70 -22.268 -23.152 1.127 1.00 50.52 H new ATOM 0 HB2 ALA A 70 -20.865 -23.071 2.218 1.00 50.52 H new ATOM 0 HB3 ALA A 70 -20.749 -22.413 0.568 1.00 50.52 H new ATOM 1093 N ALA A 71 -20.470 -24.273 -1.724 1.00 40.01 N ATOM 1094 CA ALA A 71 -20.811 -24.480 -3.125 1.00 73.22 C ATOM 1095 C ALA A 71 -20.643 -25.948 -3.501 1.00 64.53 C ATOM 1096 O ALA A 71 -21.394 -26.482 -4.316 1.00 65.11 O ATOM 1097 CB ALA A 71 -19.957 -23.597 -4.022 1.00 0.30 C ATOM 0 H ALA A 71 -19.637 -23.705 -1.571 1.00 40.01 H new ATOM 0 HA ALA A 71 -21.855 -24.203 -3.270 1.00 73.22 H new ATOM 0 HB1 ALA A 71 -20.228 -23.767 -5.064 1.00 0.30 H new ATOM 0 HB2 ALA A 71 -20.126 -22.550 -3.769 1.00 0.30 H new ATOM 0 HB3 ALA A 71 -18.904 -23.840 -3.876 1.00 0.30 H new ATOM 1103 N MET A 72 -19.656 -26.599 -2.894 1.00 70.43 N ATOM 1104 CA MET A 72 -19.442 -28.024 -3.106 1.00 55.42 C ATOM 1105 C MET A 72 -20.583 -28.838 -2.499 1.00 2.21 C ATOM 1106 O MET A 72 -21.014 -29.838 -3.069 1.00 4.05 O ATOM 1107 CB MET A 72 -18.108 -28.480 -2.511 1.00 24.52 C ATOM 1108 CG MET A 72 -16.884 -27.877 -3.182 1.00 15.44 C ATOM 1109 SD MET A 72 -15.373 -28.762 -2.759 1.00 54.15 S ATOM 1110 CE MET A 72 -14.265 -28.129 -4.011 1.00 32.31 C ATOM 0 H MET A 72 -18.994 -26.163 -2.253 1.00 70.43 H new ATOM 0 HA MET A 72 -19.416 -28.194 -4.182 1.00 55.42 H new ATOM 0 HB2 MET A 72 -18.090 -28.224 -1.452 1.00 24.52 H new ATOM 0 HB3 MET A 72 -18.046 -29.566 -2.578 1.00 24.52 H new ATOM 0 HG2 MET A 72 -17.021 -27.890 -4.263 1.00 15.44 H new ATOM 0 HG3 MET A 72 -16.787 -26.833 -2.886 1.00 15.44 H new ATOM 0 HE1 MET A 72 -13.354 -28.727 -4.027 1.00 32.31 H new ATOM 0 HE2 MET A 72 -14.750 -28.181 -4.986 1.00 32.31 H new ATOM 0 HE3 MET A 72 -14.015 -27.093 -3.785 1.00 32.31 H new ATOM 1120 N ASN A 73 -21.081 -28.399 -1.346 1.00 24.44 N ATOM 1121 CA ASN A 73 -22.226 -29.055 -0.711 1.00 53.21 C ATOM 1122 C ASN A 73 -23.495 -28.823 -1.522 1.00 25.21 C ATOM 1123 O ASN A 73 -24.489 -29.531 -1.361 1.00 50.41 O ATOM 1124 CB ASN A 73 -22.442 -28.549 0.722 1.00 31.11 C ATOM 1125 CG ASN A 73 -21.455 -29.125 1.722 1.00 74.33 C ATOM 1126 OD1 ASN A 73 -21.673 -30.202 2.280 1.00 0.52 O ATOM 1127 ND2 ASN A 73 -20.377 -28.406 1.975 1.00 24.24 N ATOM 0 H ASN A 73 -20.714 -27.597 -0.833 1.00 24.44 H new ATOM 0 HA ASN A 73 -22.006 -30.122 -0.674 1.00 53.21 H new ATOM 0 HB2 ASN A 73 -22.364 -27.462 0.731 1.00 31.11 H new ATOM 0 HB3 ASN A 73 -23.455 -28.798 1.038 1.00 31.11 H new ATOM 0 HD21 ASN A 73 -19.690 -28.738 2.652 1.00 24.24 H new ATOM 0 HD22 ASN A 73 -20.231 -27.519 1.493 1.00 24.24 H new ATOM 1134 N ALA A 74 -23.448 -27.833 -2.405 1.00 23.05 N ATOM 1135 CA ALA A 74 -24.601 -27.461 -3.211 1.00 74.23 C ATOM 1136 C ALA A 74 -24.662 -28.267 -4.507 1.00 13.21 C ATOM 1137 O ALA A 74 -25.485 -27.989 -5.380 1.00 11.22 O ATOM 1138 CB ALA A 74 -24.564 -25.972 -3.514 1.00 71.42 C ATOM 0 H ALA A 74 -22.616 -27.270 -2.581 1.00 23.05 H new ATOM 0 HA ALA A 74 -25.501 -27.688 -2.639 1.00 74.23 H new ATOM 0 HB1 ALA A 74 -25.430 -25.702 -4.118 1.00 71.42 H new ATOM 0 HB2 ALA A 74 -24.583 -25.410 -2.580 1.00 71.42 H new ATOM 0 HB3 ALA A 74 -23.652 -25.735 -4.062 1.00 71.42 H new ATOM 1144 N ARG A 75 -23.786 -29.258 -4.631 1.00 62.40 N ATOM 1145 CA ARG A 75 -23.787 -30.140 -5.794 1.00 44.34 C ATOM 1146 C ARG A 75 -25.005 -31.063 -5.763 1.00 64.11 C ATOM 1147 O ARG A 75 -25.449 -31.474 -4.688 1.00 32.35 O ATOM 1148 CB ARG A 75 -22.505 -30.973 -5.845 1.00 34.41 C ATOM 1149 CG ARG A 75 -21.251 -30.159 -6.116 1.00 35.24 C ATOM 1150 CD ARG A 75 -20.010 -31.038 -6.125 1.00 62.45 C ATOM 1151 NE ARG A 75 -19.803 -31.704 -4.838 1.00 75.12 N ATOM 1152 CZ ARG A 75 -18.904 -32.666 -4.626 1.00 15.10 C ATOM 1153 NH1 ARG A 75 -18.119 -33.080 -5.615 1.00 44.40 N ATOM 1154 NH2 ARG A 75 -18.796 -33.215 -3.425 1.00 4.03 N ATOM 0 H ARG A 75 -23.066 -29.471 -3.941 1.00 62.40 H new ATOM 0 HA ARG A 75 -23.835 -29.519 -6.688 1.00 44.34 H new ATOM 0 HB2 ARG A 75 -22.387 -31.499 -4.897 1.00 34.41 H new ATOM 0 HB3 ARG A 75 -22.608 -31.732 -6.620 1.00 34.41 H new ATOM 0 HG2 ARG A 75 -21.346 -29.651 -7.076 1.00 35.24 H new ATOM 0 HG3 ARG A 75 -21.146 -29.386 -5.355 1.00 35.24 H new ATOM 0 HD2 ARG A 75 -20.102 -31.788 -6.911 1.00 62.45 H new ATOM 0 HD3 ARG A 75 -19.137 -30.431 -6.364 1.00 62.45 H new ATOM 0 HE ARG A 75 -20.384 -31.413 -4.052 1.00 75.12 H new ATOM 0 HH11 ARG A 75 -18.202 -32.662 -6.542 1.00 44.40 H new ATOM 0 HH12 ARG A 75 -17.433 -33.816 -5.448 1.00 44.40 H new ATOM 0 HH21 ARG A 75 -19.400 -32.902 -2.665 1.00 4.03 H new ATOM 0 HH22 ARG A 75 -18.109 -33.951 -3.261 1.00 4.03 H new ATOM 1168 N PRO A 76 -25.574 -31.395 -6.936 1.00 30.23 N ATOM 1169 CA PRO A 76 -25.103 -30.906 -8.236 1.00 44.15 C ATOM 1170 C PRO A 76 -25.406 -29.426 -8.430 1.00 20.25 C ATOM 1171 O PRO A 76 -26.551 -28.992 -8.290 1.00 24.12 O ATOM 1172 CB PRO A 76 -25.885 -31.745 -9.258 1.00 73.24 C ATOM 1173 CG PRO A 76 -26.534 -32.834 -8.471 1.00 23.01 C ATOM 1174 CD PRO A 76 -26.724 -32.288 -7.088 1.00 22.30 C ATOM 0 HA PRO A 76 -24.022 -31.003 -8.334 1.00 44.15 H new ATOM 0 HB2 PRO A 76 -26.629 -31.139 -9.776 1.00 73.24 H new ATOM 0 HB3 PRO A 76 -25.221 -32.154 -10.019 1.00 73.24 H new ATOM 0 HG2 PRO A 76 -27.489 -33.119 -8.913 1.00 23.01 H new ATOM 0 HG3 PRO A 76 -25.911 -33.728 -8.455 1.00 23.01 H new ATOM 0 HD2 PRO A 76 -27.668 -31.753 -6.990 1.00 22.30 H new ATOM 0 HD3 PRO A 76 -26.726 -33.078 -6.337 1.00 22.30 H new ATOM 1182 N HIS A 77 -24.375 -28.660 -8.745 1.00 2.04 N ATOM 1183 CA HIS A 77 -24.506 -27.219 -8.881 1.00 40.20 C ATOM 1184 C HIS A 77 -25.318 -26.868 -10.126 1.00 45.24 C ATOM 1185 O HIS A 77 -25.423 -27.664 -11.062 1.00 42.31 O ATOM 1186 CB HIS A 77 -23.128 -26.554 -8.946 1.00 60.22 C ATOM 1187 CG HIS A 77 -23.132 -25.133 -8.467 1.00 34.24 C ATOM 1188 ND1 HIS A 77 -23.714 -24.130 -9.200 1.00 11.21 N ATOM 1189 CD2 HIS A 77 -22.639 -24.612 -7.319 1.00 34.33 C ATOM 1190 CE1 HIS A 77 -23.570 -23.028 -8.491 1.00 31.41 C ATOM 1191 NE2 HIS A 77 -22.922 -23.270 -7.340 1.00 54.01 N ATOM 0 H HIS A 77 -23.433 -29.014 -8.912 1.00 2.04 H new ATOM 0 HA HIS A 77 -25.032 -26.843 -8.004 1.00 40.20 H new ATOM 0 HB2 HIS A 77 -22.425 -27.131 -8.345 1.00 60.22 H new ATOM 0 HB3 HIS A 77 -22.767 -26.583 -9.974 1.00 60.22 H new ATOM 0 HD2 HIS A 77 -22.123 -25.149 -6.537 1.00 34.33 H new ATOM 0 HE1 HIS A 77 -23.927 -22.056 -8.797 1.00 31.41 H new ATOM 0 HE2 HIS A 77 -22.686 -22.587 -6.620 1.00 54.01 H new ATOM 1199 N LYS A 78 -25.867 -25.666 -10.134 1.00 44.33 N ATOM 1200 CA LYS A 78 -26.731 -25.219 -11.205 1.00 5.32 C ATOM 1201 C LYS A 78 -26.469 -23.749 -11.508 1.00 11.23 C ATOM 1202 O LYS A 78 -26.740 -22.878 -10.682 1.00 62.22 O ATOM 1203 CB LYS A 78 -28.201 -25.422 -10.820 1.00 42.14 C ATOM 1204 CG LYS A 78 -29.182 -24.964 -11.887 1.00 24.52 C ATOM 1205 CD LYS A 78 -29.053 -25.784 -13.159 1.00 22.13 C ATOM 1206 CE LYS A 78 -29.536 -27.211 -12.963 1.00 13.00 C ATOM 1207 NZ LYS A 78 -30.987 -27.266 -12.649 1.00 22.41 N ATOM 0 H LYS A 78 -25.725 -24.975 -9.397 1.00 44.33 H new ATOM 0 HA LYS A 78 -26.517 -25.808 -12.097 1.00 5.32 H new ATOM 0 HB2 LYS A 78 -28.370 -26.479 -10.613 1.00 42.14 H new ATOM 0 HB3 LYS A 78 -28.403 -24.880 -9.896 1.00 42.14 H new ATOM 0 HG2 LYS A 78 -30.199 -25.044 -11.504 1.00 24.52 H new ATOM 0 HG3 LYS A 78 -29.008 -23.912 -12.113 1.00 24.52 H new ATOM 0 HD2 LYS A 78 -29.628 -25.312 -13.955 1.00 22.13 H new ATOM 0 HD3 LYS A 78 -28.012 -25.794 -13.481 1.00 22.13 H new ATOM 0 HE2 LYS A 78 -29.338 -27.789 -13.866 1.00 13.00 H new ATOM 0 HE3 LYS A 78 -28.972 -27.678 -12.156 1.00 13.00 H new ATOM 0 HZ1 LYS A 78 -31.336 -28.236 -12.788 1.00 22.41 H new ATOM 0 HZ2 LYS A 78 -31.139 -26.982 -11.660 1.00 22.41 H new ATOM 0 HZ3 LYS A 78 -31.503 -26.619 -13.278 1.00 22.41 H new ATOM 1221 N VAL A 79 -25.925 -23.486 -12.684 1.00 1.32 N ATOM 1222 CA VAL A 79 -25.669 -22.123 -13.124 1.00 63.55 C ATOM 1223 C VAL A 79 -26.152 -21.933 -14.557 1.00 64.10 C ATOM 1224 O VAL A 79 -25.840 -22.740 -15.436 1.00 50.34 O ATOM 1225 CB VAL A 79 -24.169 -21.750 -12.999 1.00 73.12 C ATOM 1226 CG1 VAL A 79 -23.287 -22.912 -13.412 1.00 14.11 C ATOM 1227 CG2 VAL A 79 -23.835 -20.508 -13.818 1.00 72.52 C ATOM 0 H VAL A 79 -25.650 -24.203 -13.356 1.00 1.32 H new ATOM 0 HA VAL A 79 -26.226 -21.452 -12.470 1.00 63.55 H new ATOM 0 HB VAL A 79 -23.973 -21.523 -11.951 1.00 73.12 H new ATOM 0 HG11 VAL A 79 -22.240 -22.626 -13.316 1.00 14.11 H new ATOM 0 HG12 VAL A 79 -23.490 -23.769 -12.770 1.00 14.11 H new ATOM 0 HG13 VAL A 79 -23.497 -23.178 -14.448 1.00 14.11 H new ATOM 0 HG21 VAL A 79 -22.776 -20.274 -13.708 1.00 72.52 H new ATOM 0 HG22 VAL A 79 -24.059 -20.694 -14.868 1.00 72.52 H new ATOM 0 HG23 VAL A 79 -24.431 -19.667 -13.463 1.00 72.52 H new ATOM 1237 N ASP A 80 -26.967 -20.892 -14.761 1.00 71.32 N ATOM 1238 CA ASP A 80 -27.526 -20.546 -16.079 1.00 75.51 C ATOM 1239 C ASP A 80 -28.577 -21.570 -16.518 1.00 13.25 C ATOM 1240 O ASP A 80 -29.258 -21.396 -17.527 1.00 32.42 O ATOM 1241 CB ASP A 80 -26.410 -20.437 -17.133 1.00 10.34 C ATOM 1242 CG ASP A 80 -26.891 -19.886 -18.462 1.00 71.44 C ATOM 1243 OD1 ASP A 80 -26.932 -18.645 -18.614 1.00 71.24 O ATOM 1244 OD2 ASP A 80 -27.216 -20.689 -19.364 1.00 65.44 O ATOM 0 H ASP A 80 -27.261 -20.261 -14.015 1.00 71.32 H new ATOM 0 HA ASP A 80 -28.014 -19.575 -15.990 1.00 75.51 H new ATOM 0 HB2 ASP A 80 -25.617 -19.796 -16.747 1.00 10.34 H new ATOM 0 HB3 ASP A 80 -25.973 -21.423 -17.293 1.00 10.34 H new ATOM 1249 N GLY A 81 -28.733 -22.622 -15.730 1.00 3.14 N ATOM 1250 CA GLY A 81 -29.612 -23.710 -16.106 1.00 24.11 C ATOM 1251 C GLY A 81 -28.826 -24.938 -16.507 1.00 32.30 C ATOM 1252 O GLY A 81 -29.380 -25.912 -17.013 1.00 62.04 O ATOM 0 H GLY A 81 -28.264 -22.743 -14.832 1.00 3.14 H new ATOM 0 HA2 GLY A 81 -30.270 -23.953 -15.272 1.00 24.11 H new ATOM 0 HA3 GLY A 81 -30.248 -23.397 -16.934 1.00 24.11 H new ATOM 1256 N ARG A 82 -27.525 -24.879 -16.281 1.00 75.12 N ATOM 1257 CA ARG A 82 -26.638 -25.980 -16.596 1.00 74.33 C ATOM 1258 C ARG A 82 -26.078 -26.595 -15.319 1.00 25.25 C ATOM 1259 O ARG A 82 -25.637 -25.878 -14.418 1.00 63.53 O ATOM 1260 CB ARG A 82 -25.495 -25.483 -17.488 1.00 32.23 C ATOM 1261 CG ARG A 82 -24.393 -26.504 -17.714 1.00 34.34 C ATOM 1262 CD ARG A 82 -24.903 -27.744 -18.420 1.00 4.41 C ATOM 1263 NE ARG A 82 -25.366 -27.465 -19.777 1.00 1.10 N ATOM 1264 CZ ARG A 82 -25.281 -28.340 -20.773 1.00 14.25 C ATOM 1265 NH1 ARG A 82 -24.741 -29.534 -20.563 1.00 40.01 N ATOM 1266 NH2 ARG A 82 -25.722 -28.021 -21.981 1.00 52.02 N ATOM 0 H ARG A 82 -27.057 -24.068 -15.875 1.00 75.12 H new ATOM 0 HA ARG A 82 -27.202 -26.746 -17.129 1.00 74.33 H new ATOM 0 HB2 ARG A 82 -25.905 -25.188 -18.454 1.00 32.23 H new ATOM 0 HB3 ARG A 82 -25.061 -24.590 -17.039 1.00 32.23 H new ATOM 0 HG2 ARG A 82 -23.596 -26.052 -18.305 1.00 34.34 H new ATOM 0 HG3 ARG A 82 -23.958 -26.786 -16.755 1.00 34.34 H new ATOM 0 HD2 ARG A 82 -24.109 -28.490 -18.457 1.00 4.41 H new ATOM 0 HD3 ARG A 82 -25.720 -28.177 -17.843 1.00 4.41 H new ATOM 0 HE ARG A 82 -25.776 -26.551 -19.970 1.00 1.10 H new ATOM 0 HH11 ARG A 82 -24.391 -29.780 -19.637 1.00 40.01 H new ATOM 0 HH12 ARG A 82 -24.676 -30.206 -21.328 1.00 40.01 H new ATOM 0 HH21 ARG A 82 -26.129 -27.101 -22.149 1.00 52.02 H new ATOM 0 HH22 ARG A 82 -25.655 -28.696 -22.743 1.00 52.02 H new ATOM 1280 N VAL A 83 -26.125 -27.917 -15.239 1.00 41.13 N ATOM 1281 CA VAL A 83 -25.487 -28.638 -14.150 1.00 52.42 C ATOM 1282 C VAL A 83 -23.989 -28.714 -14.413 1.00 11.42 C ATOM 1283 O VAL A 83 -23.555 -29.249 -15.435 1.00 12.01 O ATOM 1284 CB VAL A 83 -26.056 -30.063 -13.992 1.00 31.33 C ATOM 1285 CG1 VAL A 83 -25.385 -30.790 -12.834 1.00 30.42 C ATOM 1286 CG2 VAL A 83 -27.564 -30.020 -13.796 1.00 71.13 C ATOM 0 H VAL A 83 -26.600 -28.512 -15.918 1.00 41.13 H new ATOM 0 HA VAL A 83 -25.686 -28.098 -13.224 1.00 52.42 H new ATOM 0 HB VAL A 83 -25.844 -30.615 -14.907 1.00 31.33 H new ATOM 0 HG11 VAL A 83 -25.803 -31.793 -12.743 1.00 30.42 H new ATOM 0 HG12 VAL A 83 -24.313 -30.859 -13.020 1.00 30.42 H new ATOM 0 HG13 VAL A 83 -25.558 -30.239 -11.909 1.00 30.42 H new ATOM 0 HG21 VAL A 83 -27.946 -31.035 -13.687 1.00 71.13 H new ATOM 0 HG22 VAL A 83 -27.798 -29.446 -12.900 1.00 71.13 H new ATOM 0 HG23 VAL A 83 -28.030 -29.548 -14.661 1.00 71.13 H new ATOM 1296 N VAL A 84 -23.208 -28.158 -13.504 1.00 21.02 N ATOM 1297 CA VAL A 84 -21.767 -28.073 -13.687 1.00 44.04 C ATOM 1298 C VAL A 84 -21.032 -28.883 -12.635 1.00 53.41 C ATOM 1299 O VAL A 84 -21.647 -29.444 -11.729 1.00 63.15 O ATOM 1300 CB VAL A 84 -21.286 -26.612 -13.624 1.00 32.13 C ATOM 1301 CG1 VAL A 84 -21.903 -25.806 -14.750 1.00 15.13 C ATOM 1302 CG2 VAL A 84 -21.618 -25.992 -12.273 1.00 65.14 C ATOM 0 H VAL A 84 -23.547 -27.757 -12.629 1.00 21.02 H new ATOM 0 HA VAL A 84 -21.545 -28.482 -14.673 1.00 44.04 H new ATOM 0 HB VAL A 84 -20.203 -26.600 -13.743 1.00 32.13 H new ATOM 0 HG11 VAL A 84 -21.554 -24.775 -14.693 1.00 15.13 H new ATOM 0 HG12 VAL A 84 -21.610 -26.236 -15.708 1.00 15.13 H new ATOM 0 HG13 VAL A 84 -22.989 -25.827 -14.660 1.00 15.13 H new ATOM 0 HG21 VAL A 84 -21.269 -24.960 -12.251 1.00 65.14 H new ATOM 0 HG22 VAL A 84 -22.697 -26.014 -12.118 1.00 65.14 H new ATOM 0 HG23 VAL A 84 -21.126 -26.558 -11.482 1.00 65.14 H new ATOM 1312 N GLU A 85 -19.717 -28.940 -12.760 1.00 52.00 N ATOM 1313 CA GLU A 85 -18.890 -29.620 -11.783 1.00 45.53 C ATOM 1314 C GLU A 85 -17.847 -28.657 -11.238 1.00 13.33 C ATOM 1315 O GLU A 85 -16.896 -28.299 -11.933 1.00 74.13 O ATOM 1316 CB GLU A 85 -18.215 -30.845 -12.401 1.00 31.42 C ATOM 1317 CG GLU A 85 -17.376 -31.637 -11.412 1.00 25.04 C ATOM 1318 CD GLU A 85 -16.803 -32.898 -12.017 1.00 60.40 C ATOM 1319 OE1 GLU A 85 -15.695 -32.844 -12.578 1.00 63.52 O ATOM 1320 OE2 GLU A 85 -17.468 -33.953 -11.938 1.00 60.33 O ATOM 0 H GLU A 85 -19.199 -28.521 -13.533 1.00 52.00 H new ATOM 0 HA GLU A 85 -19.523 -29.963 -10.965 1.00 45.53 H new ATOM 0 HB2 GLU A 85 -18.980 -31.498 -12.822 1.00 31.42 H new ATOM 0 HB3 GLU A 85 -17.581 -30.523 -13.227 1.00 31.42 H new ATOM 0 HG2 GLU A 85 -16.562 -31.010 -11.048 1.00 25.04 H new ATOM 0 HG3 GLU A 85 -17.988 -31.898 -10.549 1.00 25.04 H new ATOM 1327 N PRO A 86 -18.042 -28.198 -9.998 1.00 15.30 N ATOM 1328 CA PRO A 86 -17.145 -27.265 -9.348 1.00 2.33 C ATOM 1329 C PRO A 86 -16.051 -27.967 -8.546 1.00 41.31 C ATOM 1330 O PRO A 86 -16.307 -28.532 -7.481 1.00 60.24 O ATOM 1331 CB PRO A 86 -18.083 -26.478 -8.431 1.00 64.33 C ATOM 1332 CG PRO A 86 -19.308 -27.329 -8.240 1.00 24.32 C ATOM 1333 CD PRO A 86 -19.167 -28.543 -9.126 1.00 70.14 C ATOM 0 HA PRO A 86 -16.601 -26.644 -10.060 1.00 2.33 H new ATOM 0 HB2 PRO A 86 -17.604 -26.268 -7.475 1.00 64.33 H new ATOM 0 HB3 PRO A 86 -18.344 -25.517 -8.875 1.00 64.33 H new ATOM 0 HG2 PRO A 86 -19.408 -27.627 -7.196 1.00 24.32 H new ATOM 0 HG3 PRO A 86 -20.207 -26.769 -8.499 1.00 24.32 H new ATOM 0 HD2 PRO A 86 -18.964 -29.443 -8.545 1.00 70.14 H new ATOM 0 HD3 PRO A 86 -20.076 -28.731 -9.698 1.00 70.14 H new ATOM 1341 N LYS A 87 -14.836 -27.939 -9.073 1.00 12.05 N ATOM 1342 CA LYS A 87 -13.703 -28.590 -8.427 1.00 71.34 C ATOM 1343 C LYS A 87 -12.710 -27.551 -7.917 1.00 51.53 C ATOM 1344 O LYS A 87 -12.726 -26.410 -8.357 1.00 31.00 O ATOM 1345 CB LYS A 87 -13.006 -29.539 -9.408 1.00 34.33 C ATOM 1346 CG LYS A 87 -13.921 -30.619 -9.970 1.00 11.04 C ATOM 1347 CD LYS A 87 -13.177 -31.565 -10.903 1.00 70.32 C ATOM 1348 CE LYS A 87 -12.614 -30.841 -12.117 1.00 60.44 C ATOM 1349 NZ LYS A 87 -11.956 -31.779 -13.065 1.00 73.24 N ATOM 0 H LYS A 87 -14.608 -27.471 -9.950 1.00 12.05 H new ATOM 0 HA LYS A 87 -14.075 -29.166 -7.579 1.00 71.34 H new ATOM 0 HB2 LYS A 87 -12.596 -28.957 -10.233 1.00 34.33 H new ATOM 0 HB3 LYS A 87 -12.164 -30.014 -8.904 1.00 34.33 H new ATOM 0 HG2 LYS A 87 -14.358 -31.188 -9.149 1.00 11.04 H new ATOM 0 HG3 LYS A 87 -14.746 -30.152 -10.509 1.00 11.04 H new ATOM 0 HD2 LYS A 87 -12.365 -32.047 -10.359 1.00 70.32 H new ATOM 0 HD3 LYS A 87 -13.852 -32.355 -11.233 1.00 70.32 H new ATOM 0 HE2 LYS A 87 -13.417 -30.311 -12.629 1.00 60.44 H new ATOM 0 HE3 LYS A 87 -11.894 -30.090 -11.791 1.00 60.44 H new ATOM 0 HZ1 LYS A 87 -11.586 -31.247 -13.878 1.00 73.24 H new ATOM 0 HZ2 LYS A 87 -11.173 -32.266 -12.584 1.00 73.24 H new ATOM 0 HZ3 LYS A 87 -12.649 -32.480 -13.396 1.00 73.24 H new ATOM 1363 N ARG A 88 -11.862 -27.946 -6.980 1.00 70.41 N ATOM 1364 CA ARG A 88 -10.831 -27.056 -6.456 1.00 4.10 C ATOM 1365 C ARG A 88 -9.852 -26.680 -7.560 1.00 1.21 C ATOM 1366 O ARG A 88 -9.361 -27.550 -8.286 1.00 72.22 O ATOM 1367 CB ARG A 88 -10.069 -27.733 -5.316 1.00 63.02 C ATOM 1368 CG ARG A 88 -9.922 -26.872 -4.074 1.00 75.02 C ATOM 1369 CD ARG A 88 -11.278 -26.568 -3.470 1.00 74.44 C ATOM 1370 NE ARG A 88 -11.193 -26.124 -2.082 1.00 74.13 N ATOM 1371 CZ ARG A 88 -11.574 -26.880 -1.049 1.00 32.11 C ATOM 1372 NH1 ARG A 88 -11.892 -28.156 -1.237 1.00 51.34 N ATOM 1373 NH2 ARG A 88 -11.598 -26.377 0.175 1.00 44.40 N ATOM 0 H ARG A 88 -11.865 -28.878 -6.565 1.00 70.41 H new ATOM 0 HA ARG A 88 -11.316 -26.156 -6.078 1.00 4.10 H new ATOM 0 HB2 ARG A 88 -10.583 -28.656 -5.047 1.00 63.02 H new ATOM 0 HB3 ARG A 88 -9.077 -28.012 -5.671 1.00 63.02 H new ATOM 0 HG2 ARG A 88 -9.299 -27.385 -3.341 1.00 75.02 H new ATOM 0 HG3 ARG A 88 -9.415 -25.941 -4.328 1.00 75.02 H new ATOM 0 HD2 ARG A 88 -11.770 -25.798 -4.063 1.00 74.44 H new ATOM 0 HD3 ARG A 88 -11.903 -27.460 -3.524 1.00 74.44 H new ATOM 0 HE ARG A 88 -10.825 -25.192 -1.892 1.00 74.13 H new ATOM 0 HH11 ARG A 88 -11.846 -28.561 -2.172 1.00 51.34 H new ATOM 0 HH12 ARG A 88 -12.183 -28.731 -0.446 1.00 51.34 H new ATOM 0 HH21 ARG A 88 -11.325 -25.407 0.333 1.00 44.40 H new ATOM 0 HH22 ARG A 88 -11.890 -26.959 0.960 1.00 44.40 H new ATOM 1387 N ALA A 89 -9.577 -25.390 -7.690 1.00 43.23 N ATOM 1388 CA ALA A 89 -8.665 -24.912 -8.714 1.00 2.53 C ATOM 1389 C ALA A 89 -7.246 -25.404 -8.458 1.00 40.44 C ATOM 1390 O ALA A 89 -6.677 -25.178 -7.392 1.00 64.02 O ATOM 1391 CB ALA A 89 -8.695 -23.395 -8.790 1.00 41.50 C ATOM 0 H ALA A 89 -9.973 -24.658 -7.099 1.00 43.23 H new ATOM 0 HA ALA A 89 -8.995 -25.315 -9.672 1.00 2.53 H new ATOM 0 HB1 ALA A 89 -8.005 -23.056 -9.563 1.00 41.50 H new ATOM 0 HB2 ALA A 89 -9.704 -23.063 -9.033 1.00 41.50 H new ATOM 0 HB3 ALA A 89 -8.397 -22.977 -7.829 1.00 41.50 H new ATOM 1397 N VAL A 90 -6.696 -26.101 -9.436 1.00 21.05 N ATOM 1398 CA VAL A 90 -5.323 -26.571 -9.371 1.00 60.33 C ATOM 1399 C VAL A 90 -4.385 -25.444 -9.808 1.00 4.25 C ATOM 1400 O VAL A 90 -4.843 -24.407 -10.273 1.00 23.14 O ATOM 1401 CB VAL A 90 -5.135 -27.822 -10.270 1.00 15.14 C ATOM 1402 CG1 VAL A 90 -5.147 -27.449 -11.746 1.00 23.24 C ATOM 1403 CG2 VAL A 90 -3.867 -28.583 -9.910 1.00 62.04 C ATOM 0 H VAL A 90 -7.185 -26.356 -10.294 1.00 21.05 H new ATOM 0 HA VAL A 90 -5.085 -26.857 -8.346 1.00 60.33 H new ATOM 0 HB VAL A 90 -5.981 -28.484 -10.085 1.00 15.14 H new ATOM 0 HG11 VAL A 90 -5.013 -28.347 -12.349 1.00 23.24 H new ATOM 0 HG12 VAL A 90 -6.100 -26.983 -11.996 1.00 23.24 H new ATOM 0 HG13 VAL A 90 -4.336 -26.750 -11.951 1.00 23.24 H new ATOM 0 HG21 VAL A 90 -3.768 -29.453 -10.560 1.00 62.04 H new ATOM 0 HG22 VAL A 90 -3.003 -27.932 -10.040 1.00 62.04 H new ATOM 0 HG23 VAL A 90 -3.921 -28.910 -8.872 1.00 62.04 H new