USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 554 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 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 67 SER OG : rot -49:sc= -0.0597 USER MOD Single : A 13 SER OG : rot 180:sc= 0.245 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.548 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc=-0.00848 X(o=-0.0085,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0.158 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0442 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -100:sc= -0.541 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0423 USER MOD Single : A 42 LYS NZ :NH3+ 168:sc= 0.0457 (180deg=0.00989) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.261 K(o=-0.26,f=-2.7!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= -1.19 USER MOD Single : A 63 MET CE :methyl -172:sc= -3.86! (180deg=-3.97) USER MOD Single : A 66 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.112) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.0969 USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.341 USER MOD ----------------------------------------------------------------- ATOM 149 N CYS A 11 -8.544 3.492 -9.959 1.00 0.00 N ATOM 150 CA CYS A 11 -8.982 2.458 -10.881 1.00 0.00 C ATOM 151 C CYS A 11 -10.378 2.825 -11.386 1.00 0.00 C ATOM 152 O CYS A 11 -10.781 3.986 -11.322 1.00 0.00 O ATOM 153 CB CYS A 11 -8.957 1.073 -10.231 1.00 0.00 C ATOM 154 SG CYS A 11 -10.409 0.687 -9.188 1.00 0.00 S ATOM 0 HA CYS A 11 -8.294 2.404 -11.724 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -8.881 0.320 -11.016 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -8.057 0.990 -9.621 1.00 0.00 H new ATOM 159 N VAL A 12 -11.079 1.814 -11.878 1.00 0.00 N ATOM 160 CA VAL A 12 -12.423 2.016 -12.394 1.00 0.00 C ATOM 161 C VAL A 12 -13.435 1.796 -11.268 1.00 0.00 C ATOM 162 O VAL A 12 -13.882 2.751 -10.635 1.00 0.00 O ATOM 163 CB VAL A 12 -12.662 1.105 -13.599 1.00 0.00 C ATOM 164 CG1 VAL A 12 -14.112 1.199 -14.078 1.00 0.00 C ATOM 165 CG2 VAL A 12 -11.688 1.431 -14.734 1.00 0.00 C ATOM 0 H VAL A 12 -10.742 0.853 -11.930 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.547 3.040 -12.747 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.479 0.078 -13.284 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -14.255 0.542 -14.936 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -14.781 0.896 -13.273 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.334 2.226 -14.367 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.879 0.769 -15.579 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.826 2.466 -15.046 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.664 1.290 -14.387 1.00 0.00 H new ATOM 175 N SER A 13 -13.768 0.531 -11.053 1.00 0.00 N ATOM 176 CA SER A 13 -14.720 0.174 -10.015 1.00 0.00 C ATOM 177 C SER A 13 -14.029 -0.664 -8.938 1.00 0.00 C ATOM 178 O SER A 13 -12.802 -0.685 -8.855 1.00 0.00 O ATOM 179 CB SER A 13 -15.911 -0.589 -10.599 1.00 0.00 C ATOM 180 OG SER A 13 -17.057 -0.514 -9.756 1.00 0.00 O ATOM 0 H SER A 13 -13.395 -0.259 -11.580 1.00 0.00 H new ATOM 0 HA SER A 13 -15.097 1.093 -9.565 1.00 0.00 H new ATOM 0 HB2 SER A 13 -16.156 -0.183 -11.581 1.00 0.00 H new ATOM 0 HB3 SER A 13 -15.636 -1.634 -10.745 1.00 0.00 H new ATOM 0 HG SER A 13 -17.796 -1.012 -10.164 1.00 0.00 H new ATOM 186 N LEU A 14 -14.846 -1.332 -8.139 1.00 0.00 N ATOM 187 CA LEU A 14 -14.330 -2.170 -7.069 1.00 0.00 C ATOM 188 C LEU A 14 -14.369 -3.635 -7.510 1.00 0.00 C ATOM 189 O LEU A 14 -15.435 -4.246 -7.550 1.00 0.00 O ATOM 190 CB LEU A 14 -15.082 -1.900 -5.766 1.00 0.00 C ATOM 191 CG LEU A 14 -14.496 -0.810 -4.866 1.00 0.00 C ATOM 192 CD1 LEU A 14 -15.453 -0.470 -3.721 1.00 0.00 C ATOM 193 CD2 LEU A 14 -13.110 -1.208 -4.355 1.00 0.00 C ATOM 0 H LEU A 14 -15.863 -1.311 -8.210 1.00 0.00 H new ATOM 0 HA LEU A 14 -13.288 -1.926 -6.864 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -16.108 -1.627 -6.012 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -15.127 -2.828 -5.197 1.00 0.00 H new ATOM 0 HG LEU A 14 -14.373 0.095 -5.462 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -15.012 0.307 -3.097 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -16.398 -0.114 -4.130 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -15.631 -1.361 -3.119 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -12.716 -0.416 -3.718 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -13.185 -2.132 -3.781 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.440 -1.360 -5.201 1.00 0.00 H new ATOM 205 N THR A 15 -13.193 -4.154 -7.831 1.00 0.00 N ATOM 206 CA THR A 15 -13.079 -5.535 -8.267 1.00 0.00 C ATOM 207 C THR A 15 -13.540 -5.676 -9.719 1.00 0.00 C ATOM 208 O THR A 15 -13.160 -4.877 -10.574 1.00 0.00 O ATOM 209 CB THR A 15 -13.873 -6.407 -7.291 1.00 0.00 C ATOM 210 OG1 THR A 15 -13.606 -5.830 -6.015 1.00 0.00 O ATOM 211 CG2 THR A 15 -13.311 -7.825 -7.182 1.00 0.00 C ATOM 0 H THR A 15 -12.311 -3.643 -7.798 1.00 0.00 H new ATOM 0 HA THR A 15 -12.041 -5.869 -8.254 1.00 0.00 H new ATOM 0 HB THR A 15 -14.914 -6.453 -7.610 1.00 0.00 H new ATOM 0 HG1 THR A 15 -14.083 -6.333 -5.322 1.00 0.00 H new ATOM 0 HG21 THR A 15 -13.911 -8.401 -6.477 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.341 -8.304 -8.160 1.00 0.00 H new ATOM 0 HG23 THR A 15 -12.280 -7.782 -6.830 1.00 0.00 H new ATOM 219 N THR A 16 -14.352 -6.697 -9.952 1.00 0.00 N ATOM 220 CA THR A 16 -14.868 -6.952 -11.286 1.00 0.00 C ATOM 221 C THR A 16 -13.848 -7.739 -12.112 1.00 0.00 C ATOM 222 O THR A 16 -13.976 -7.839 -13.332 1.00 0.00 O ATOM 223 CB THR A 16 -15.249 -5.609 -11.912 1.00 0.00 C ATOM 224 OG1 THR A 16 -16.426 -5.895 -12.661 1.00 0.00 O ATOM 225 CG2 THR A 16 -14.241 -5.146 -12.965 1.00 0.00 C ATOM 0 H THR A 16 -14.665 -7.357 -9.240 1.00 0.00 H new ATOM 0 HA THR A 16 -15.761 -7.575 -11.250 1.00 0.00 H new ATOM 0 HB THR A 16 -15.328 -4.855 -11.129 1.00 0.00 H new ATOM 0 HG1 THR A 16 -16.742 -5.077 -13.099 1.00 0.00 H new ATOM 0 HG21 THR A 16 -14.559 -4.188 -13.377 1.00 0.00 H new ATOM 0 HG22 THR A 16 -13.259 -5.035 -12.505 1.00 0.00 H new ATOM 0 HG23 THR A 16 -14.185 -5.885 -13.765 1.00 0.00 H new ATOM 233 N GLN A 17 -12.859 -8.277 -11.415 1.00 0.00 N ATOM 234 CA GLN A 17 -11.818 -9.051 -12.068 1.00 0.00 C ATOM 235 C GLN A 17 -10.854 -9.630 -11.028 1.00 0.00 C ATOM 236 O GLN A 17 -10.107 -8.891 -10.391 1.00 0.00 O ATOM 237 CB GLN A 17 -11.068 -8.204 -13.098 1.00 0.00 C ATOM 238 CG GLN A 17 -10.568 -9.066 -14.258 1.00 0.00 C ATOM 239 CD GLN A 17 -10.111 -8.196 -15.431 1.00 0.00 C ATOM 240 OE1 GLN A 17 -10.898 -7.539 -16.093 1.00 0.00 O ATOM 241 NE2 GLN A 17 -8.800 -8.229 -15.650 1.00 0.00 N ATOM 0 H GLN A 17 -12.756 -8.192 -10.404 1.00 0.00 H new ATOM 0 HA GLN A 17 -12.288 -9.878 -12.600 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -11.725 -7.422 -13.478 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -10.224 -7.707 -12.620 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.741 -9.691 -13.921 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -11.362 -9.737 -14.586 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -8.198 -8.801 -15.057 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -8.396 -7.682 -16.411 1.00 0.00 H new ATOM 250 N ARG A 18 -10.906 -10.947 -10.889 1.00 0.00 N ATOM 251 CA ARG A 18 -10.047 -11.632 -9.938 1.00 0.00 C ATOM 252 C ARG A 18 -8.702 -11.967 -10.584 1.00 0.00 C ATOM 253 O ARG A 18 -8.473 -13.103 -10.999 1.00 0.00 O ATOM 254 CB ARG A 18 -10.701 -12.923 -9.438 1.00 0.00 C ATOM 255 CG ARG A 18 -10.682 -12.990 -7.909 1.00 0.00 C ATOM 256 CD ARG A 18 -10.519 -14.432 -7.427 1.00 0.00 C ATOM 257 NE ARG A 18 -11.726 -14.856 -6.682 1.00 0.00 N ATOM 258 CZ ARG A 18 -11.852 -16.041 -6.069 1.00 0.00 C ATOM 259 NH1 ARG A 18 -10.848 -16.926 -6.108 1.00 0.00 N ATOM 260 NH2 ARG A 18 -12.984 -16.340 -5.417 1.00 0.00 N ATOM 0 H ARG A 18 -11.529 -11.557 -11.418 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.890 -10.965 -9.091 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -11.729 -12.976 -9.795 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.176 -13.785 -9.850 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.865 -12.379 -7.525 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -11.607 -12.572 -7.511 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -10.356 -15.093 -8.279 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.640 -14.513 -6.788 1.00 0.00 H new ATOM 0 HE ARG A 18 -12.510 -14.206 -6.632 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.987 -16.698 -6.604 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.945 -17.828 -5.641 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.749 -15.666 -5.388 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -13.081 -17.242 -4.950 1.00 0.00 H new ATOM 274 N LEU A 19 -7.845 -10.959 -10.647 1.00 0.00 N ATOM 275 CA LEU A 19 -6.527 -11.132 -11.234 1.00 0.00 C ATOM 276 C LEU A 19 -5.715 -12.106 -10.378 1.00 0.00 C ATOM 277 O LEU A 19 -5.926 -12.199 -9.170 1.00 0.00 O ATOM 278 CB LEU A 19 -5.848 -9.776 -11.435 1.00 0.00 C ATOM 279 CG LEU A 19 -5.061 -9.236 -10.238 1.00 0.00 C ATOM 280 CD1 LEU A 19 -3.966 -8.270 -10.693 1.00 0.00 C ATOM 281 CD2 LEU A 19 -5.998 -8.599 -9.210 1.00 0.00 C ATOM 0 H LEU A 19 -8.038 -10.019 -10.301 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.608 -11.573 -12.228 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.170 -9.854 -12.285 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.612 -9.045 -11.702 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.566 -10.074 -9.747 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.422 -7.901 -9.823 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.277 -8.789 -11.359 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.418 -7.431 -11.221 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.414 -8.223 -8.370 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.540 -7.774 -9.673 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.708 -9.345 -8.854 1.00 0.00 H new ATOM 293 N PRO A 20 -4.781 -12.826 -11.055 1.00 0.00 N ATOM 294 CA PRO A 20 -3.937 -13.789 -10.369 1.00 0.00 C ATOM 295 C PRO A 20 -2.852 -13.084 -9.552 1.00 0.00 C ATOM 296 O PRO A 20 -2.206 -12.158 -10.039 1.00 0.00 O ATOM 297 CB PRO A 20 -3.372 -14.671 -11.470 1.00 0.00 C ATOM 298 CG PRO A 20 -3.546 -13.888 -12.762 1.00 0.00 C ATOM 299 CD PRO A 20 -4.504 -12.741 -12.486 1.00 0.00 C ATOM 0 HA PRO A 20 -4.486 -14.386 -9.641 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -2.321 -14.897 -11.289 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -3.900 -15.624 -11.517 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -2.586 -13.508 -13.110 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -3.938 -14.532 -13.549 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -4.058 -11.781 -12.747 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -5.417 -12.838 -13.073 1.00 0.00 H new ATOM 307 N VAL A 21 -2.687 -13.549 -8.322 1.00 0.00 N ATOM 308 CA VAL A 21 -1.692 -12.974 -7.432 1.00 0.00 C ATOM 309 C VAL A 21 -0.334 -12.956 -8.137 1.00 0.00 C ATOM 310 O VAL A 21 0.455 -12.031 -7.948 1.00 0.00 O ATOM 311 CB VAL A 21 -1.669 -13.742 -6.109 1.00 0.00 C ATOM 312 CG1 VAL A 21 -0.492 -13.297 -5.238 1.00 0.00 C ATOM 313 CG2 VAL A 21 -2.995 -13.587 -5.361 1.00 0.00 C ATOM 0 H VAL A 21 -3.225 -14.317 -7.921 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.946 -11.942 -7.189 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.536 -14.799 -6.338 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.498 -13.858 -4.303 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.443 -13.483 -5.767 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.581 -12.232 -5.023 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.951 -14.143 -4.424 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.172 -12.533 -5.149 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.807 -13.975 -5.976 1.00 0.00 H new ATOM 323 N SER A 22 -0.103 -13.988 -8.935 1.00 0.00 N ATOM 324 CA SER A 22 1.147 -14.103 -9.668 1.00 0.00 C ATOM 325 C SER A 22 1.322 -12.895 -10.592 1.00 0.00 C ATOM 326 O SER A 22 2.436 -12.591 -11.015 1.00 0.00 O ATOM 327 CB SER A 22 1.194 -15.401 -10.477 1.00 0.00 C ATOM 328 OG SER A 22 -0.004 -16.160 -10.338 1.00 0.00 O ATOM 0 H SER A 22 -0.760 -14.752 -9.090 1.00 0.00 H new ATOM 0 HA SER A 22 1.966 -14.126 -8.949 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.355 -15.167 -11.529 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.043 -16.001 -10.151 1.00 0.00 H new ATOM 0 HG SER A 22 0.064 -16.980 -10.871 1.00 0.00 H new ATOM 334 N ARG A 23 0.207 -12.240 -10.876 1.00 0.00 N ATOM 335 CA ARG A 23 0.224 -11.073 -11.742 1.00 0.00 C ATOM 336 C ARG A 23 0.269 -9.792 -10.905 1.00 0.00 C ATOM 337 O ARG A 23 0.555 -8.716 -11.426 1.00 0.00 O ATOM 338 CB ARG A 23 -1.010 -11.039 -12.646 1.00 0.00 C ATOM 339 CG ARG A 23 -0.608 -11.080 -14.121 1.00 0.00 C ATOM 340 CD ARG A 23 0.014 -12.430 -14.484 1.00 0.00 C ATOM 341 NE ARG A 23 -0.371 -12.810 -15.862 1.00 0.00 N ATOM 342 CZ ARG A 23 -0.176 -14.028 -16.387 1.00 0.00 C ATOM 343 NH1 ARG A 23 0.400 -14.990 -15.653 1.00 0.00 N ATOM 344 NH2 ARG A 23 -0.556 -14.283 -17.646 1.00 0.00 N ATOM 0 H ARG A 23 -0.715 -12.495 -10.522 1.00 0.00 H new ATOM 0 HA ARG A 23 1.116 -11.136 -12.366 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.656 -11.886 -12.418 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.587 -10.136 -12.447 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.483 -10.900 -14.745 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.103 -10.280 -14.330 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.100 -12.373 -14.403 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.318 -13.194 -13.781 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.812 -12.101 -16.448 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.690 -14.796 -14.695 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.548 -15.917 -16.053 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.994 -13.551 -18.205 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.408 -15.210 -18.046 1.00 0.00 H new ATOM 358 N ILE A 24 -0.017 -9.952 -9.621 1.00 0.00 N ATOM 359 CA ILE A 24 -0.012 -8.822 -8.707 1.00 0.00 C ATOM 360 C ILE A 24 1.409 -8.600 -8.185 1.00 0.00 C ATOM 361 O ILE A 24 2.201 -9.538 -8.111 1.00 0.00 O ATOM 362 CB ILE A 24 -1.049 -9.024 -7.601 1.00 0.00 C ATOM 363 CG1 ILE A 24 -2.426 -9.336 -8.190 1.00 0.00 C ATOM 364 CG2 ILE A 24 -1.089 -7.818 -6.659 1.00 0.00 C ATOM 365 CD1 ILE A 24 -3.338 -9.978 -7.143 1.00 0.00 C ATOM 0 H ILE A 24 -0.254 -10.847 -9.192 1.00 0.00 H new ATOM 0 HA ILE A 24 -0.307 -7.910 -9.226 1.00 0.00 H new ATOM 0 HB ILE A 24 -0.750 -9.887 -7.007 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.883 -8.419 -8.562 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.317 -10.006 -9.043 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -1.834 -7.988 -5.882 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.110 -7.683 -6.199 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.351 -6.923 -7.224 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.310 -10.189 -7.588 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -2.890 -10.907 -6.791 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.464 -9.295 -6.303 1.00 0.00 H new ATOM 377 N LYS A 25 1.689 -7.353 -7.836 1.00 0.00 N ATOM 378 CA LYS A 25 3.000 -6.995 -7.323 1.00 0.00 C ATOM 379 C LYS A 25 2.852 -6.423 -5.912 1.00 0.00 C ATOM 380 O LYS A 25 3.245 -7.060 -4.936 1.00 0.00 O ATOM 381 CB LYS A 25 3.719 -6.057 -8.295 1.00 0.00 C ATOM 382 CG LYS A 25 5.236 -6.224 -8.197 1.00 0.00 C ATOM 383 CD LYS A 25 5.747 -5.800 -6.819 1.00 0.00 C ATOM 384 CE LYS A 25 5.897 -7.010 -5.894 1.00 0.00 C ATOM 385 NZ LYS A 25 7.326 -7.349 -5.712 1.00 0.00 N ATOM 0 H LYS A 25 1.030 -6.577 -7.899 1.00 0.00 H new ATOM 0 HA LYS A 25 3.632 -7.879 -7.244 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.392 -6.263 -9.314 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.448 -5.024 -8.076 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.504 -7.264 -8.384 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.722 -5.626 -8.968 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.708 -5.296 -6.923 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.056 -5.082 -6.376 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.442 -6.795 -4.927 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.365 -7.864 -6.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.410 -8.172 -5.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.749 -7.575 -6.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.824 -6.539 -5.291 1.00 0.00 H new ATOM 399 N THR A 26 2.284 -5.228 -5.850 1.00 0.00 N ATOM 400 CA THR A 26 2.080 -4.563 -4.574 1.00 0.00 C ATOM 401 C THR A 26 0.602 -4.216 -4.384 1.00 0.00 C ATOM 402 O THR A 26 -0.168 -4.219 -5.343 1.00 0.00 O ATOM 403 CB THR A 26 3.001 -3.342 -4.523 1.00 0.00 C ATOM 404 OG1 THR A 26 2.938 -2.914 -3.166 1.00 0.00 O ATOM 405 CG2 THR A 26 2.445 -2.156 -5.315 1.00 0.00 C ATOM 0 H THR A 26 1.959 -4.703 -6.662 1.00 0.00 H new ATOM 0 HA THR A 26 2.338 -5.218 -3.742 1.00 0.00 H new ATOM 0 HB THR A 26 3.982 -3.612 -4.914 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.509 -2.127 -3.045 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.137 -1.316 -5.246 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.323 -2.441 -6.360 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.479 -1.865 -4.904 1.00 0.00 H new ATOM 413 N TYR A 27 0.250 -3.926 -3.139 1.00 0.00 N ATOM 414 CA TYR A 27 -1.122 -3.579 -2.812 1.00 0.00 C ATOM 415 C TYR A 27 -1.170 -2.429 -1.802 1.00 0.00 C ATOM 416 O TYR A 27 -0.251 -2.262 -1.003 1.00 0.00 O ATOM 417 CB TYR A 27 -1.733 -4.828 -2.174 1.00 0.00 C ATOM 418 CG TYR A 27 -0.866 -5.457 -1.081 1.00 0.00 C ATOM 419 CD1 TYR A 27 0.263 -6.173 -1.424 1.00 0.00 C ATOM 420 CD2 TYR A 27 -1.212 -5.306 0.246 1.00 0.00 C ATOM 421 CE1 TYR A 27 1.079 -6.765 -0.396 1.00 0.00 C ATOM 422 CE2 TYR A 27 -0.395 -5.898 1.274 1.00 0.00 C ATOM 423 CZ TYR A 27 0.711 -6.598 0.903 1.00 0.00 C ATOM 424 OH TYR A 27 1.481 -7.157 1.874 1.00 0.00 O ATOM 0 H TYR A 27 0.891 -3.924 -2.346 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.661 -3.260 -3.704 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -2.703 -4.569 -1.750 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.913 -5.570 -2.952 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.534 -6.289 -2.463 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -2.095 -4.744 0.514 1.00 0.00 H new ATOM 0 HE1 TYR A 27 1.964 -7.329 -0.651 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -0.655 -5.789 2.317 1.00 0.00 H new ATOM 0 HH TYR A 27 1.097 -6.955 2.753 1.00 0.00 H new ATOM 434 N THR A 28 -2.252 -1.668 -1.873 1.00 0.00 N ATOM 435 CA THR A 28 -2.432 -0.539 -0.975 1.00 0.00 C ATOM 436 C THR A 28 -3.839 -0.554 -0.375 1.00 0.00 C ATOM 437 O THR A 28 -4.829 -0.495 -1.104 1.00 0.00 O ATOM 438 CB THR A 28 -2.117 0.740 -1.754 1.00 0.00 C ATOM 439 OG1 THR A 28 -0.695 0.825 -1.720 1.00 0.00 O ATOM 440 CG2 THR A 28 -2.583 2.000 -1.023 1.00 0.00 C ATOM 0 H THR A 28 -3.013 -1.810 -2.538 1.00 0.00 H new ATOM 0 HA THR A 28 -1.750 -0.596 -0.126 1.00 0.00 H new ATOM 0 HB THR A 28 -2.590 0.694 -2.735 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.403 1.626 -2.204 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.335 2.879 -1.618 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.662 1.956 -0.873 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.085 2.065 -0.056 1.00 0.00 H new ATOM 448 N ILE A 29 -3.884 -0.634 0.946 1.00 0.00 N ATOM 449 CA ILE A 29 -5.154 -0.657 1.653 1.00 0.00 C ATOM 450 C ILE A 29 -5.328 0.652 2.424 1.00 0.00 C ATOM 451 O ILE A 29 -4.383 1.143 3.042 1.00 0.00 O ATOM 452 CB ILE A 29 -5.256 -1.907 2.529 1.00 0.00 C ATOM 453 CG1 ILE A 29 -4.410 -3.047 1.960 1.00 0.00 C ATOM 454 CG2 ILE A 29 -6.716 -2.319 2.726 1.00 0.00 C ATOM 455 CD1 ILE A 29 -4.940 -3.496 0.598 1.00 0.00 C ATOM 0 H ILE A 29 -3.061 -0.684 1.547 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.982 -0.722 0.947 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.852 -1.669 3.513 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.374 -2.722 1.862 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.416 -3.889 2.652 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.761 -3.210 3.352 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -7.261 -1.508 3.209 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.168 -2.533 1.757 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.320 -4.307 0.216 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.968 -3.843 0.704 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.910 -2.658 -0.098 1.00 0.00 H new ATOM 467 N THR A 30 -6.540 1.181 2.364 1.00 0.00 N ATOM 468 CA THR A 30 -6.850 2.424 3.050 1.00 0.00 C ATOM 469 C THR A 30 -7.789 2.163 4.230 1.00 0.00 C ATOM 470 O THR A 30 -8.490 1.152 4.258 1.00 0.00 O ATOM 471 CB THR A 30 -7.422 3.401 2.022 1.00 0.00 C ATOM 472 OG1 THR A 30 -8.193 2.577 1.152 1.00 0.00 O ATOM 473 CG2 THR A 30 -6.344 3.996 1.116 1.00 0.00 C ATOM 0 H THR A 30 -7.320 0.772 1.850 1.00 0.00 H new ATOM 0 HA THR A 30 -5.955 2.871 3.482 1.00 0.00 H new ATOM 0 HB THR A 30 -7.945 4.206 2.538 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.680 2.391 0.338 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.804 4.682 0.405 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.616 4.535 1.722 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.842 3.195 0.574 1.00 0.00 H new ATOM 481 N GLU A 31 -7.774 3.091 5.175 1.00 0.00 N ATOM 482 CA GLU A 31 -8.615 2.974 6.353 1.00 0.00 C ATOM 483 C GLU A 31 -9.661 4.090 6.371 1.00 0.00 C ATOM 484 O GLU A 31 -10.702 3.960 7.013 1.00 0.00 O ATOM 485 CB GLU A 31 -7.774 2.991 7.632 1.00 0.00 C ATOM 486 CG GLU A 31 -7.873 1.655 8.371 1.00 0.00 C ATOM 487 CD GLU A 31 -6.702 0.740 8.009 1.00 0.00 C ATOM 488 OE1 GLU A 31 -5.598 0.995 8.538 1.00 0.00 O ATOM 489 OE2 GLU A 31 -6.936 -0.195 7.212 1.00 0.00 O ATOM 0 H GLU A 31 -7.192 3.928 5.148 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.134 2.016 6.311 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.733 3.197 7.384 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.112 3.797 8.283 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.883 1.830 9.447 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.813 1.165 8.119 1.00 0.00 H new ATOM 496 N GLY A 32 -9.349 5.163 5.659 1.00 0.00 N ATOM 497 CA GLY A 32 -10.250 6.300 5.584 1.00 0.00 C ATOM 498 C GLY A 32 -10.115 7.019 4.240 1.00 0.00 C ATOM 499 O GLY A 32 -9.022 7.100 3.682 1.00 0.00 O ATOM 0 H GLY A 32 -8.484 5.269 5.129 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.278 5.963 5.719 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.033 6.995 6.395 1.00 0.00 H new ATOM 503 N SER A 33 -11.243 7.522 3.760 1.00 0.00 N ATOM 504 CA SER A 33 -11.265 8.232 2.492 1.00 0.00 C ATOM 505 C SER A 33 -11.432 7.239 1.339 1.00 0.00 C ATOM 506 O SER A 33 -12.165 7.506 0.387 1.00 0.00 O ATOM 507 CB SER A 33 -9.991 9.057 2.300 1.00 0.00 C ATOM 508 OG SER A 33 -10.193 10.152 1.411 1.00 0.00 O ATOM 0 H SER A 33 -12.148 7.452 4.226 1.00 0.00 H new ATOM 0 HA SER A 33 -12.112 8.918 2.499 1.00 0.00 H new ATOM 0 HB2 SER A 33 -9.653 9.432 3.266 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.199 8.416 1.912 1.00 0.00 H new ATOM 0 HG SER A 33 -9.357 10.655 1.316 1.00 0.00 H new ATOM 514 N LEU A 34 -10.743 6.115 1.464 1.00 0.00 N ATOM 515 CA LEU A 34 -10.807 5.082 0.445 1.00 0.00 C ATOM 516 C LEU A 34 -11.354 3.793 1.065 1.00 0.00 C ATOM 517 O LEU A 34 -12.261 3.172 0.515 1.00 0.00 O ATOM 518 CB LEU A 34 -9.445 4.909 -0.230 1.00 0.00 C ATOM 519 CG LEU A 34 -9.302 5.533 -1.620 1.00 0.00 C ATOM 520 CD1 LEU A 34 -7.831 5.616 -2.035 1.00 0.00 C ATOM 521 CD2 LEU A 34 -10.146 4.777 -2.648 1.00 0.00 C ATOM 0 H LEU A 34 -10.138 5.897 2.255 1.00 0.00 H new ATOM 0 HA LEU A 34 -11.495 5.373 -0.349 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -8.682 5.338 0.420 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -9.233 3.843 -0.308 1.00 0.00 H new ATOM 0 HG LEU A 34 -9.682 6.554 -1.578 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.757 6.063 -3.026 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.285 6.230 -1.319 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.402 4.614 -2.056 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -10.027 5.240 -3.628 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -9.818 3.739 -2.695 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -11.195 4.813 -2.355 1.00 0.00 H new ATOM 533 N ARG A 35 -10.776 3.430 2.201 1.00 0.00 N ATOM 534 CA ARG A 35 -11.193 2.227 2.901 1.00 0.00 C ATOM 535 C ARG A 35 -11.348 1.067 1.916 1.00 0.00 C ATOM 536 O ARG A 35 -12.177 0.181 2.122 1.00 0.00 O ATOM 537 CB ARG A 35 -12.519 2.448 3.632 1.00 0.00 C ATOM 538 CG ARG A 35 -12.295 2.614 5.137 1.00 0.00 C ATOM 539 CD ARG A 35 -13.476 2.056 5.932 1.00 0.00 C ATOM 540 NE ARG A 35 -14.667 2.912 5.739 1.00 0.00 N ATOM 541 CZ ARG A 35 -15.741 2.896 6.539 1.00 0.00 C ATOM 542 NH1 ARG A 35 -15.781 2.068 7.592 1.00 0.00 N ATOM 543 NH2 ARG A 35 -16.777 3.708 6.287 1.00 0.00 N ATOM 0 H ARG A 35 -10.023 3.948 2.654 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.423 1.985 3.634 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -13.014 3.334 3.235 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -13.183 1.603 3.451 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -11.379 2.101 5.431 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -12.159 3.669 5.374 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -13.694 1.038 5.609 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -13.221 2.007 6.991 1.00 0.00 H new ATOM 0 HE ARG A 35 -14.670 3.555 4.947 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -14.993 1.449 7.785 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -16.599 2.056 8.201 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -16.748 4.338 5.486 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -17.595 3.696 6.896 1.00 0.00 H new ATOM 557 N ALA A 36 -10.539 1.110 0.868 1.00 0.00 N ATOM 558 CA ALA A 36 -10.576 0.073 -0.149 1.00 0.00 C ATOM 559 C ALA A 36 -9.158 -0.442 -0.398 1.00 0.00 C ATOM 560 O ALA A 36 -8.182 0.248 -0.107 1.00 0.00 O ATOM 561 CB ALA A 36 -11.228 0.625 -1.418 1.00 0.00 C ATOM 0 H ALA A 36 -9.854 1.847 0.701 1.00 0.00 H new ATOM 0 HA ALA A 36 -11.179 -0.771 0.186 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -11.256 -0.153 -2.181 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -12.244 0.949 -1.193 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.649 1.473 -1.785 1.00 0.00 H new ATOM 567 N VAL A 37 -9.087 -1.651 -0.936 1.00 0.00 N ATOM 568 CA VAL A 37 -7.803 -2.266 -1.228 1.00 0.00 C ATOM 569 C VAL A 37 -7.436 -2.001 -2.690 1.00 0.00 C ATOM 570 O VAL A 37 -8.260 -2.188 -3.584 1.00 0.00 O ATOM 571 CB VAL A 37 -7.846 -3.756 -0.883 1.00 0.00 C ATOM 572 CG1 VAL A 37 -8.414 -3.977 0.520 1.00 0.00 C ATOM 573 CG2 VAL A 37 -8.645 -4.538 -1.928 1.00 0.00 C ATOM 0 H VAL A 37 -9.898 -2.221 -1.177 1.00 0.00 H new ATOM 0 HA VAL A 37 -7.020 -1.826 -0.611 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.823 -4.132 -0.893 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -8.434 -5.044 0.741 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -7.787 -3.467 1.251 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -9.427 -3.577 0.570 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -8.660 -5.594 -1.659 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.666 -4.158 -1.964 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -8.179 -4.419 -2.906 1.00 0.00 H new ATOM 583 N ILE A 38 -6.200 -1.569 -2.887 1.00 0.00 N ATOM 584 CA ILE A 38 -5.714 -1.277 -4.226 1.00 0.00 C ATOM 585 C ILE A 38 -4.635 -2.293 -4.605 1.00 0.00 C ATOM 586 O ILE A 38 -3.545 -2.288 -4.034 1.00 0.00 O ATOM 587 CB ILE A 38 -5.251 0.178 -4.321 1.00 0.00 C ATOM 588 CG1 ILE A 38 -6.384 1.140 -3.958 1.00 0.00 C ATOM 589 CG2 ILE A 38 -4.665 0.478 -5.703 1.00 0.00 C ATOM 590 CD1 ILE A 38 -7.632 0.859 -4.798 1.00 0.00 C ATOM 0 H ILE A 38 -5.520 -1.414 -2.143 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.518 -1.380 -4.955 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.454 0.330 -3.593 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -6.624 1.042 -2.899 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.058 2.168 -4.117 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -4.344 1.519 -5.744 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.810 -0.173 -5.885 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.424 0.302 -6.466 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -8.422 1.557 -4.520 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -7.395 0.982 -5.855 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -7.969 -0.162 -4.618 1.00 0.00 H new ATOM 602 N PHE A 39 -4.976 -3.139 -5.566 1.00 0.00 N ATOM 603 CA PHE A 39 -4.049 -4.158 -6.028 1.00 0.00 C ATOM 604 C PHE A 39 -3.228 -3.655 -7.217 1.00 0.00 C ATOM 605 O PHE A 39 -3.785 -3.317 -8.261 1.00 0.00 O ATOM 606 CB PHE A 39 -4.888 -5.357 -6.474 1.00 0.00 C ATOM 607 CG PHE A 39 -5.169 -6.369 -5.360 1.00 0.00 C ATOM 608 CD1 PHE A 39 -4.160 -6.782 -4.548 1.00 0.00 C ATOM 609 CD2 PHE A 39 -6.426 -6.855 -5.184 1.00 0.00 C ATOM 610 CE1 PHE A 39 -4.421 -7.721 -3.514 1.00 0.00 C ATOM 611 CE2 PHE A 39 -6.687 -7.794 -4.151 1.00 0.00 C ATOM 612 CZ PHE A 39 -5.678 -8.207 -3.339 1.00 0.00 C ATOM 0 H PHE A 39 -5.881 -3.140 -6.037 1.00 0.00 H new ATOM 0 HA PHE A 39 -3.357 -4.420 -5.228 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -5.837 -4.996 -6.871 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -4.373 -5.864 -7.290 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.161 -6.397 -4.689 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -7.227 -6.527 -5.830 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -3.620 -8.048 -2.867 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.686 -8.180 -4.011 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.876 -8.922 -2.554 1.00 0.00 H new ATOM 622 N ILE A 40 -1.919 -3.620 -7.019 1.00 0.00 N ATOM 623 CA ILE A 40 -1.016 -3.165 -8.062 1.00 0.00 C ATOM 624 C ILE A 40 -0.295 -4.369 -8.671 1.00 0.00 C ATOM 625 O ILE A 40 0.175 -5.246 -7.947 1.00 0.00 O ATOM 626 CB ILE A 40 -0.070 -2.090 -7.520 1.00 0.00 C ATOM 627 CG1 ILE A 40 -0.819 -1.100 -6.627 1.00 0.00 C ATOM 628 CG2 ILE A 40 0.672 -1.389 -8.659 1.00 0.00 C ATOM 629 CD1 ILE A 40 0.041 0.130 -6.332 1.00 0.00 C ATOM 0 H ILE A 40 -1.462 -3.899 -6.151 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.575 -2.689 -8.868 1.00 0.00 H new ATOM 0 HB ILE A 40 0.681 -2.577 -6.899 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.744 -0.793 -7.114 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.097 -1.586 -5.692 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.337 -0.630 -8.247 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.257 -2.120 -9.217 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.049 -0.916 -9.326 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.515 0.818 -5.695 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.954 -0.178 -5.823 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.297 0.628 -7.267 1.00 0.00 H new ATOM 641 N THR A 41 -0.231 -4.374 -9.995 1.00 0.00 N ATOM 642 CA THR A 41 0.425 -5.457 -10.707 1.00 0.00 C ATOM 643 C THR A 41 1.847 -5.052 -11.100 1.00 0.00 C ATOM 644 O THR A 41 2.195 -3.874 -11.058 1.00 0.00 O ATOM 645 CB THR A 41 -0.451 -5.834 -11.904 1.00 0.00 C ATOM 646 OG1 THR A 41 -0.956 -4.585 -12.372 1.00 0.00 O ATOM 647 CG2 THR A 41 -1.704 -6.610 -11.491 1.00 0.00 C ATOM 0 H THR A 41 -0.622 -3.646 -10.592 1.00 0.00 H new ATOM 0 HA THR A 41 0.534 -6.338 -10.074 1.00 0.00 H new ATOM 0 HB THR A 41 0.131 -6.431 -12.606 1.00 0.00 H new ATOM 0 HG1 THR A 41 -1.534 -4.736 -13.149 1.00 0.00 H new ATOM 0 HG21 THR A 41 -2.290 -6.853 -12.377 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.412 -7.531 -10.986 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.304 -6.000 -10.815 1.00 0.00 H new ATOM 655 N LYS A 42 2.631 -6.053 -11.473 1.00 0.00 N ATOM 656 CA LYS A 42 4.007 -5.817 -11.873 1.00 0.00 C ATOM 657 C LYS A 42 4.026 -4.968 -13.145 1.00 0.00 C ATOM 658 O LYS A 42 5.048 -4.373 -13.484 1.00 0.00 O ATOM 659 CB LYS A 42 4.762 -7.142 -12.006 1.00 0.00 C ATOM 660 CG LYS A 42 4.060 -8.074 -12.996 1.00 0.00 C ATOM 661 CD LYS A 42 4.062 -9.517 -12.485 1.00 0.00 C ATOM 662 CE LYS A 42 3.479 -9.599 -11.073 1.00 0.00 C ATOM 663 NZ LYS A 42 4.501 -10.082 -10.117 1.00 0.00 N ATOM 0 H LYS A 42 2.339 -7.030 -11.506 1.00 0.00 H new ATOM 0 HA LYS A 42 4.535 -5.252 -11.105 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.782 -6.952 -12.340 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.831 -7.625 -11.031 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.034 -7.740 -13.150 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.560 -8.026 -13.963 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.481 -10.146 -13.159 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.081 -9.905 -12.485 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.119 -8.618 -10.764 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.620 -10.270 -11.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.161 -9.941 -9.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.677 -11.094 -10.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.384 -9.551 -10.255 1.00 0.00 H new ATOM 677 N ARG A 43 2.884 -4.939 -13.816 1.00 0.00 N ATOM 678 CA ARG A 43 2.756 -4.172 -15.044 1.00 0.00 C ATOM 679 C ARG A 43 2.612 -2.682 -14.727 1.00 0.00 C ATOM 680 O ARG A 43 2.860 -1.835 -15.584 1.00 0.00 O ATOM 681 CB ARG A 43 1.544 -4.632 -15.856 1.00 0.00 C ATOM 682 CG ARG A 43 1.982 -5.341 -17.140 1.00 0.00 C ATOM 683 CD ARG A 43 1.470 -6.783 -17.173 1.00 0.00 C ATOM 684 NE ARG A 43 2.512 -7.701 -16.660 1.00 0.00 N ATOM 685 CZ ARG A 43 3.582 -8.090 -17.365 1.00 0.00 C ATOM 686 NH1 ARG A 43 3.760 -7.644 -18.615 1.00 0.00 N ATOM 687 NH2 ARG A 43 4.476 -8.927 -16.819 1.00 0.00 N ATOM 0 H ARG A 43 2.039 -5.434 -13.533 1.00 0.00 H new ATOM 0 HA ARG A 43 3.658 -4.336 -15.633 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.933 -5.305 -15.255 1.00 0.00 H new ATOM 0 HB3 ARG A 43 0.921 -3.773 -16.105 1.00 0.00 H new ATOM 0 HG2 ARG A 43 1.605 -4.798 -18.006 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.070 -5.336 -17.209 1.00 0.00 H new ATOM 0 HD2 ARG A 43 0.567 -6.871 -16.569 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.200 -7.059 -18.192 1.00 0.00 H new ATOM 0 HE ARG A 43 2.408 -8.059 -15.711 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.080 -7.007 -19.031 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.575 -7.941 -19.151 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.341 -9.267 -15.867 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.291 -9.224 -17.356 1.00 0.00 H new ATOM 701 N GLY A 44 2.214 -2.408 -13.493 1.00 0.00 N ATOM 702 CA GLY A 44 2.034 -1.035 -13.053 1.00 0.00 C ATOM 703 C GLY A 44 0.560 -0.627 -13.113 1.00 0.00 C ATOM 704 O GLY A 44 0.229 0.544 -12.938 1.00 0.00 O ATOM 0 H GLY A 44 2.011 -3.113 -12.785 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.404 -0.925 -12.034 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.625 -0.368 -13.681 1.00 0.00 H new ATOM 708 N LEU A 45 -0.284 -1.618 -13.363 1.00 0.00 N ATOM 709 CA LEU A 45 -1.714 -1.377 -13.448 1.00 0.00 C ATOM 710 C LEU A 45 -2.316 -1.398 -12.042 1.00 0.00 C ATOM 711 O LEU A 45 -2.297 -2.429 -11.370 1.00 0.00 O ATOM 712 CB LEU A 45 -2.369 -2.369 -14.412 1.00 0.00 C ATOM 713 CG LEU A 45 -2.978 -1.769 -15.680 1.00 0.00 C ATOM 714 CD1 LEU A 45 -2.933 -2.770 -16.837 1.00 0.00 C ATOM 715 CD2 LEU A 45 -4.396 -1.259 -15.418 1.00 0.00 C ATOM 0 H LEU A 45 -0.005 -2.588 -13.509 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.909 -0.388 -13.863 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.622 -3.107 -14.705 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.152 -2.904 -13.875 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.376 -0.910 -15.975 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.372 -2.318 -17.726 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.898 -3.043 -17.042 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.497 -3.663 -16.568 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.806 -0.837 -16.336 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.024 -2.085 -15.086 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.369 -0.490 -14.646 1.00 0.00 H new ATOM 727 N LYS A 46 -2.837 -0.250 -11.638 1.00 0.00 N ATOM 728 CA LYS A 46 -3.444 -0.124 -10.324 1.00 0.00 C ATOM 729 C LYS A 46 -4.947 -0.393 -10.432 1.00 0.00 C ATOM 730 O LYS A 46 -5.605 0.101 -11.346 1.00 0.00 O ATOM 731 CB LYS A 46 -3.106 1.234 -9.705 1.00 0.00 C ATOM 732 CG LYS A 46 -1.634 1.296 -9.289 1.00 0.00 C ATOM 733 CD LYS A 46 -1.322 2.612 -8.574 1.00 0.00 C ATOM 734 CE LYS A 46 -1.952 2.641 -7.179 1.00 0.00 C ATOM 735 NZ LYS A 46 -1.428 3.783 -6.398 1.00 0.00 N ATOM 0 H LYS A 46 -2.852 0.603 -12.198 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.034 -0.870 -9.643 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.319 2.027 -10.421 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.741 1.410 -8.837 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.402 0.457 -8.632 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.999 1.197 -10.169 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.242 2.738 -8.492 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.697 3.448 -9.164 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.036 2.718 -7.264 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.739 1.708 -6.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.865 3.788 -5.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.396 3.693 -6.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.653 4.672 -6.889 1.00 0.00 H new ATOM 749 N VAL A 47 -5.444 -1.175 -9.485 1.00 0.00 N ATOM 750 CA VAL A 47 -6.857 -1.516 -9.463 1.00 0.00 C ATOM 751 C VAL A 47 -7.397 -1.343 -8.043 1.00 0.00 C ATOM 752 O VAL A 47 -6.628 -1.160 -7.100 1.00 0.00 O ATOM 753 CB VAL A 47 -7.064 -2.929 -10.014 1.00 0.00 C ATOM 754 CG1 VAL A 47 -7.036 -3.964 -8.887 1.00 0.00 C ATOM 755 CG2 VAL A 47 -8.364 -3.022 -10.812 1.00 0.00 C ATOM 0 H VAL A 47 -4.895 -1.582 -8.728 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.422 -0.844 -10.109 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.240 -3.149 -10.693 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.185 -4.960 -9.304 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.072 -3.924 -8.380 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.831 -3.747 -8.173 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.486 -4.036 -11.192 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.206 -2.773 -10.166 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.329 -2.323 -11.648 1.00 0.00 H new ATOM 765 N CYS A 48 -8.715 -1.405 -7.933 1.00 0.00 N ATOM 766 CA CYS A 48 -9.367 -1.258 -6.642 1.00 0.00 C ATOM 767 C CYS A 48 -10.226 -2.499 -6.393 1.00 0.00 C ATOM 768 O CYS A 48 -10.725 -3.112 -7.334 1.00 0.00 O ATOM 769 CB CYS A 48 -10.191 0.030 -6.569 1.00 0.00 C ATOM 770 SG CYS A 48 -9.527 1.423 -7.552 1.00 0.00 S ATOM 0 H CYS A 48 -9.350 -1.555 -8.717 1.00 0.00 H new ATOM 0 HA CYS A 48 -8.614 -1.176 -5.858 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -11.205 -0.184 -6.907 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -10.262 0.341 -5.527 1.00 0.00 H new ATOM 775 N ALA A 49 -10.371 -2.832 -5.119 1.00 0.00 N ATOM 776 CA ALA A 49 -11.160 -3.990 -4.733 1.00 0.00 C ATOM 777 C ALA A 49 -11.703 -3.782 -3.318 1.00 0.00 C ATOM 778 O ALA A 49 -11.131 -3.027 -2.534 1.00 0.00 O ATOM 779 CB ALA A 49 -10.305 -5.252 -4.850 1.00 0.00 C ATOM 0 H ALA A 49 -9.956 -2.320 -4.341 1.00 0.00 H new ATOM 0 HA ALA A 49 -12.014 -4.113 -5.399 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -10.897 -6.120 -4.561 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -9.968 -5.369 -5.880 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.439 -5.167 -4.193 1.00 0.00 H new ATOM 785 N ASP A 50 -12.801 -4.468 -3.033 1.00 0.00 N ATOM 786 CA ASP A 50 -13.428 -4.368 -1.726 1.00 0.00 C ATOM 787 C ASP A 50 -12.739 -5.335 -0.761 1.00 0.00 C ATOM 788 O ASP A 50 -12.534 -6.503 -1.086 1.00 0.00 O ATOM 789 CB ASP A 50 -14.909 -4.744 -1.795 1.00 0.00 C ATOM 790 CG ASP A 50 -15.882 -3.577 -1.621 1.00 0.00 C ATOM 791 OD1 ASP A 50 -15.386 -2.431 -1.554 1.00 0.00 O ATOM 792 OD2 ASP A 50 -17.099 -3.856 -1.559 1.00 0.00 O ATOM 0 H ASP A 50 -13.272 -5.095 -3.685 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.334 -3.337 -1.384 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -15.103 -5.219 -2.757 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -15.116 -5.487 -1.025 1.00 0.00 H new ATOM 797 N PRO A 51 -12.392 -4.797 0.440 1.00 0.00 N ATOM 798 CA PRO A 51 -11.730 -5.600 1.455 1.00 0.00 C ATOM 799 C PRO A 51 -12.717 -6.554 2.129 1.00 0.00 C ATOM 800 O PRO A 51 -12.349 -7.292 3.041 1.00 0.00 O ATOM 801 CB PRO A 51 -11.125 -4.593 2.420 1.00 0.00 C ATOM 802 CG PRO A 51 -11.858 -3.284 2.170 1.00 0.00 C ATOM 803 CD PRO A 51 -12.618 -3.418 0.861 1.00 0.00 C ATOM 0 HA PRO A 51 -10.958 -6.249 1.041 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.249 -4.919 3.453 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -10.055 -4.481 2.247 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.544 -3.068 2.989 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.152 -2.455 2.118 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -13.680 -3.215 0.997 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.251 -2.712 0.116 1.00 0.00 H new ATOM 811 N GLN A 52 -13.953 -6.509 1.653 1.00 0.00 N ATOM 812 CA GLN A 52 -14.997 -7.361 2.199 1.00 0.00 C ATOM 813 C GLN A 52 -14.916 -8.760 1.583 1.00 0.00 C ATOM 814 O GLN A 52 -15.511 -9.704 2.100 1.00 0.00 O ATOM 815 CB GLN A 52 -16.379 -6.745 1.977 1.00 0.00 C ATOM 816 CG GLN A 52 -17.348 -7.156 3.087 1.00 0.00 C ATOM 817 CD GLN A 52 -17.659 -5.976 4.010 1.00 0.00 C ATOM 818 OE1 GLN A 52 -17.436 -4.822 3.680 1.00 0.00 O ATOM 819 NE2 GLN A 52 -18.183 -6.327 5.180 1.00 0.00 N ATOM 0 H GLN A 52 -14.255 -5.896 0.896 1.00 0.00 H new ATOM 0 HA GLN A 52 -14.842 -7.448 3.274 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -16.296 -5.659 1.946 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -16.772 -7.062 1.011 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -18.272 -7.531 2.647 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -16.917 -7.972 3.667 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -18.344 -7.312 5.392 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -18.425 -5.612 5.866 1.00 0.00 H new ATOM 828 N ALA A 53 -14.173 -8.848 0.489 1.00 0.00 N ATOM 829 CA ALA A 53 -14.006 -10.115 -0.200 1.00 0.00 C ATOM 830 C ALA A 53 -12.968 -10.961 0.539 1.00 0.00 C ATOM 831 O ALA A 53 -11.900 -10.466 0.898 1.00 0.00 O ATOM 832 CB ALA A 53 -13.616 -9.857 -1.657 1.00 0.00 C ATOM 0 H ALA A 53 -13.681 -8.063 0.064 1.00 0.00 H new ATOM 0 HA ALA A 53 -14.942 -10.673 -0.206 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.491 -10.808 -2.174 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.400 -9.278 -2.146 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.680 -9.300 -1.690 1.00 0.00 H new ATOM 838 N THR A 54 -13.316 -12.223 0.744 1.00 0.00 N ATOM 839 CA THR A 54 -12.428 -13.142 1.435 1.00 0.00 C ATOM 840 C THR A 54 -11.217 -13.471 0.560 1.00 0.00 C ATOM 841 O THR A 54 -10.096 -13.571 1.057 1.00 0.00 O ATOM 842 CB THR A 54 -13.242 -14.375 1.835 1.00 0.00 C ATOM 843 OG1 THR A 54 -13.861 -13.999 3.061 1.00 0.00 O ATOM 844 CG2 THR A 54 -12.355 -15.563 2.214 1.00 0.00 C ATOM 0 H THR A 54 -14.201 -12.631 0.443 1.00 0.00 H new ATOM 0 HA THR A 54 -12.022 -12.694 2.342 1.00 0.00 H new ATOM 0 HB THR A 54 -13.899 -14.660 1.013 1.00 0.00 H new ATOM 0 HG1 THR A 54 -14.410 -14.740 3.391 1.00 0.00 H new ATOM 0 HG21 THR A 54 -12.981 -16.411 2.490 1.00 0.00 H new ATOM 0 HG22 THR A 54 -11.729 -15.835 1.364 1.00 0.00 H new ATOM 0 HG23 THR A 54 -11.722 -15.290 3.058 1.00 0.00 H new ATOM 852 N TRP A 55 -11.483 -13.631 -0.728 1.00 0.00 N ATOM 853 CA TRP A 55 -10.429 -13.947 -1.677 1.00 0.00 C ATOM 854 C TRP A 55 -9.401 -12.814 -1.635 1.00 0.00 C ATOM 855 O TRP A 55 -8.199 -13.058 -1.735 1.00 0.00 O ATOM 856 CB TRP A 55 -11.002 -14.182 -3.075 1.00 0.00 C ATOM 857 CG TRP A 55 -11.339 -12.897 -3.835 1.00 0.00 C ATOM 858 CD1 TRP A 55 -12.507 -12.240 -3.867 1.00 0.00 C ATOM 859 CD2 TRP A 55 -10.446 -12.136 -4.674 1.00 0.00 C ATOM 860 NE1 TRP A 55 -12.432 -11.116 -4.663 1.00 0.00 N ATOM 861 CE2 TRP A 55 -11.139 -11.051 -5.170 1.00 0.00 C ATOM 862 CE3 TRP A 55 -9.097 -12.357 -5.005 1.00 0.00 C ATOM 863 CZ2 TRP A 55 -10.567 -10.100 -6.025 1.00 0.00 C ATOM 864 CZ3 TRP A 55 -8.540 -11.399 -5.860 1.00 0.00 C ATOM 865 CH2 TRP A 55 -9.224 -10.300 -6.368 1.00 0.00 C ATOM 0 H TRP A 55 -12.414 -13.548 -1.137 1.00 0.00 H new ATOM 0 HA TRP A 55 -9.933 -14.879 -1.406 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -10.284 -14.759 -3.658 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -11.904 -14.788 -2.989 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -13.395 -12.551 -3.337 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -13.186 -10.454 -4.846 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -8.535 -13.199 -4.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -11.131 -9.258 -6.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -7.506 -11.522 -6.145 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -8.722 -9.604 -7.024 1.00 0.00 H new ATOM 876 N VAL A 56 -9.911 -11.600 -1.489 1.00 0.00 N ATOM 877 CA VAL A 56 -9.052 -10.429 -1.432 1.00 0.00 C ATOM 878 C VAL A 56 -8.192 -10.493 -0.169 1.00 0.00 C ATOM 879 O VAL A 56 -6.979 -10.297 -0.228 1.00 0.00 O ATOM 880 CB VAL A 56 -9.896 -9.157 -1.518 1.00 0.00 C ATOM 881 CG1 VAL A 56 -9.142 -7.958 -0.937 1.00 0.00 C ATOM 882 CG2 VAL A 56 -10.333 -8.883 -2.959 1.00 0.00 C ATOM 0 H VAL A 56 -10.908 -11.402 -1.408 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.374 -10.411 -2.285 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.794 -9.311 -0.920 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.765 -7.066 -1.011 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.905 -8.150 0.109 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.219 -7.803 -1.496 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -10.932 -7.973 -2.991 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.452 -8.760 -3.589 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -10.927 -9.721 -3.325 1.00 0.00 H new ATOM 892 N ARG A 57 -8.853 -10.767 0.946 1.00 0.00 N ATOM 893 CA ARG A 57 -8.166 -10.859 2.222 1.00 0.00 C ATOM 894 C ARG A 57 -7.167 -12.019 2.204 1.00 0.00 C ATOM 895 O ARG A 57 -6.095 -11.927 2.799 1.00 0.00 O ATOM 896 CB ARG A 57 -9.156 -11.066 3.369 1.00 0.00 C ATOM 897 CG ARG A 57 -9.328 -9.783 4.185 1.00 0.00 C ATOM 898 CD ARG A 57 -10.645 -9.799 4.963 1.00 0.00 C ATOM 899 NE ARG A 57 -10.379 -9.637 6.410 1.00 0.00 N ATOM 900 CZ ARG A 57 -10.078 -8.469 6.992 1.00 0.00 C ATOM 901 NH1 ARG A 57 -10.001 -7.353 6.254 1.00 0.00 N ATOM 902 NH2 ARG A 57 -9.853 -8.416 8.312 1.00 0.00 N ATOM 0 H ARG A 57 -9.859 -10.928 0.992 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.636 -9.920 2.381 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -10.121 -11.379 2.969 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.804 -11.869 4.017 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.494 -9.674 4.878 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.305 -8.919 3.520 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -11.294 -8.997 4.612 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -11.171 -10.737 4.784 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.428 -10.467 7.001 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.172 -7.393 5.249 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.772 -6.463 6.697 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.911 -9.265 8.874 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -9.624 -7.526 8.755 1.00 0.00 H new ATOM 916 N ASP A 58 -7.555 -13.081 1.515 1.00 0.00 N ATOM 917 CA ASP A 58 -6.707 -14.257 1.413 1.00 0.00 C ATOM 918 C ASP A 58 -5.493 -13.930 0.543 1.00 0.00 C ATOM 919 O ASP A 58 -4.366 -14.290 0.882 1.00 0.00 O ATOM 920 CB ASP A 58 -7.457 -15.421 0.760 1.00 0.00 C ATOM 921 CG ASP A 58 -7.222 -16.786 1.408 1.00 0.00 C ATOM 922 OD1 ASP A 58 -6.044 -17.074 1.714 1.00 0.00 O ATOM 923 OD2 ASP A 58 -8.224 -17.511 1.584 1.00 0.00 O ATOM 0 H ASP A 58 -8.445 -13.152 1.022 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.403 -14.543 2.420 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.525 -15.204 0.783 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.166 -15.478 -0.289 1.00 0.00 H new ATOM 928 N VAL A 59 -5.761 -13.249 -0.561 1.00 0.00 N ATOM 929 CA VAL A 59 -4.704 -12.869 -1.483 1.00 0.00 C ATOM 930 C VAL A 59 -3.739 -11.912 -0.778 1.00 0.00 C ATOM 931 O VAL A 59 -2.531 -11.970 -0.997 1.00 0.00 O ATOM 932 CB VAL A 59 -5.308 -12.277 -2.758 1.00 0.00 C ATOM 933 CG1 VAL A 59 -4.316 -11.341 -3.452 1.00 0.00 C ATOM 934 CG2 VAL A 59 -5.774 -13.383 -3.707 1.00 0.00 C ATOM 0 H VAL A 59 -6.696 -12.950 -0.838 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.130 -13.744 -1.788 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.180 -11.688 -2.474 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.771 -10.934 -4.355 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -4.053 -10.525 -2.779 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.416 -11.896 -3.717 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.199 -12.936 -4.606 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.925 -14.010 -3.980 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.530 -13.992 -3.212 1.00 0.00 H new ATOM 944 N VAL A 60 -4.311 -11.053 0.054 1.00 0.00 N ATOM 945 CA VAL A 60 -3.517 -10.084 0.791 1.00 0.00 C ATOM 946 C VAL A 60 -2.505 -10.825 1.668 1.00 0.00 C ATOM 947 O VAL A 60 -1.355 -10.403 1.785 1.00 0.00 O ATOM 948 CB VAL A 60 -4.434 -9.156 1.589 1.00 0.00 C ATOM 949 CG1 VAL A 60 -3.703 -8.571 2.800 1.00 0.00 C ATOM 950 CG2 VAL A 60 -4.999 -8.046 0.700 1.00 0.00 C ATOM 0 H VAL A 60 -5.314 -11.008 0.234 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.953 -9.451 0.107 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.271 -9.748 1.958 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.378 -7.915 3.350 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.373 -9.380 3.451 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.838 -8.001 2.462 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.648 -7.400 1.292 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.179 -7.457 0.288 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.573 -8.489 -0.114 1.00 0.00 H new ATOM 960 N ARG A 61 -2.970 -11.913 2.264 1.00 0.00 N ATOM 961 CA ARG A 61 -2.119 -12.715 3.126 1.00 0.00 C ATOM 962 C ARG A 61 -0.923 -13.256 2.339 1.00 0.00 C ATOM 963 O ARG A 61 0.212 -13.186 2.805 1.00 0.00 O ATOM 964 CB ARG A 61 -2.896 -13.887 3.731 1.00 0.00 C ATOM 965 CG ARG A 61 -2.243 -14.366 5.028 1.00 0.00 C ATOM 966 CD ARG A 61 -1.234 -15.483 4.753 1.00 0.00 C ATOM 967 NE ARG A 61 -0.771 -16.072 6.030 1.00 0.00 N ATOM 968 CZ ARG A 61 -0.160 -17.261 6.131 1.00 0.00 C ATOM 969 NH1 ARG A 61 0.067 -17.993 5.031 1.00 0.00 N ATOM 970 NH2 ARG A 61 0.225 -17.717 7.331 1.00 0.00 N ATOM 0 H ARG A 61 -3.925 -12.258 2.167 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.766 -12.073 3.933 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.924 -13.583 3.928 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.938 -14.708 3.016 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.742 -13.531 5.517 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.010 -14.724 5.715 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.692 -16.253 4.132 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.384 -15.088 4.196 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.927 -15.540 6.886 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.225 -17.645 4.118 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.532 -18.898 5.107 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.053 -17.159 8.168 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.690 -18.622 7.408 1.00 0.00 H new ATOM 984 N SER A 62 -1.221 -13.783 1.160 1.00 0.00 N ATOM 985 CA SER A 62 -0.185 -14.336 0.305 1.00 0.00 C ATOM 986 C SER A 62 0.643 -13.205 -0.310 1.00 0.00 C ATOM 987 O SER A 62 1.867 -13.297 -0.380 1.00 0.00 O ATOM 988 CB SER A 62 -0.789 -15.211 -0.796 1.00 0.00 C ATOM 989 OG SER A 62 0.052 -16.315 -1.120 1.00 0.00 O ATOM 0 H SER A 62 -2.165 -13.839 0.777 1.00 0.00 H new ATOM 0 HA SER A 62 0.464 -14.964 0.915 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.763 -15.579 -0.474 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.956 -14.608 -1.688 1.00 0.00 H new ATOM 0 HG SER A 62 -0.368 -16.851 -1.825 1.00 0.00 H new ATOM 995 N MET A 63 -0.058 -12.166 -0.740 1.00 0.00 N ATOM 996 CA MET A 63 0.598 -11.020 -1.346 1.00 0.00 C ATOM 997 C MET A 63 1.869 -10.649 -0.581 1.00 0.00 C ATOM 998 O MET A 63 2.819 -10.127 -1.165 1.00 0.00 O ATOM 999 CB MET A 63 -0.362 -9.829 -1.353 1.00 0.00 C ATOM 1000 CG MET A 63 -1.230 -9.832 -2.613 1.00 0.00 C ATOM 1001 SD MET A 63 -1.070 -8.272 -3.468 1.00 0.00 S ATOM 1002 CE MET A 63 0.684 -8.281 -3.801 1.00 0.00 C ATOM 0 H MET A 63 -1.074 -12.094 -0.681 1.00 0.00 H new ATOM 0 HA MET A 63 0.875 -11.280 -2.368 1.00 0.00 H new ATOM 0 HB2 MET A 63 -0.998 -9.865 -0.469 1.00 0.00 H new ATOM 0 HB3 MET A 63 0.205 -8.900 -1.300 1.00 0.00 H new ATOM 0 HG2 MET A 63 -0.930 -10.649 -3.270 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.273 -10.005 -2.346 1.00 0.00 H new ATOM 0 HE1 MET A 63 0.983 -7.314 -4.205 1.00 0.00 H new ATOM 0 HE2 MET A 63 1.229 -8.472 -2.876 1.00 0.00 H new ATOM 0 HE3 MET A 63 0.913 -9.063 -4.525 1.00 0.00 H new ATOM 1012 N ASP A 64 1.848 -10.931 0.712 1.00 0.00 N ATOM 1013 CA ASP A 64 2.987 -10.632 1.563 1.00 0.00 C ATOM 1014 C ASP A 64 4.185 -11.474 1.117 1.00 0.00 C ATOM 1015 O ASP A 64 5.293 -10.957 0.977 1.00 0.00 O ATOM 1016 CB ASP A 64 2.688 -10.972 3.024 1.00 0.00 C ATOM 1017 CG ASP A 64 3.495 -10.176 4.052 1.00 0.00 C ATOM 1018 OD1 ASP A 64 4.690 -9.937 3.774 1.00 0.00 O ATOM 1019 OD2 ASP A 64 2.898 -9.824 5.092 1.00 0.00 O ATOM 0 H ASP A 64 1.059 -11.364 1.192 1.00 0.00 H new ATOM 0 HA ASP A 64 3.201 -9.567 1.478 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.627 -10.806 3.210 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.877 -12.034 3.180 1.00 0.00 H new ATOM 1024 N ARG A 65 3.922 -12.755 0.908 1.00 0.00 N ATOM 1025 CA ARG A 65 4.965 -13.672 0.481 1.00 0.00 C ATOM 1026 C ARG A 65 5.361 -13.389 -0.969 1.00 0.00 C ATOM 1027 O ARG A 65 6.504 -13.619 -1.361 1.00 0.00 O ATOM 1028 CB ARG A 65 4.503 -15.126 0.601 1.00 0.00 C ATOM 1029 CG ARG A 65 3.870 -15.610 -0.705 1.00 0.00 C ATOM 1030 CD ARG A 65 3.049 -16.881 -0.480 1.00 0.00 C ATOM 1031 NE ARG A 65 3.042 -17.705 -1.709 1.00 0.00 N ATOM 1032 CZ ARG A 65 2.511 -18.932 -1.787 1.00 0.00 C ATOM 1033 NH1 ARG A 65 1.941 -19.486 -0.708 1.00 0.00 N ATOM 1034 NH2 ARG A 65 2.550 -19.606 -2.945 1.00 0.00 N ATOM 0 H ARG A 65 3.002 -13.180 1.026 1.00 0.00 H new ATOM 0 HA ARG A 65 5.826 -13.520 1.132 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.352 -15.761 0.855 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.782 -15.216 1.414 1.00 0.00 H new ATOM 0 HG2 ARG A 65 3.231 -14.828 -1.115 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.650 -15.803 -1.442 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.468 -17.452 0.348 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.028 -16.620 -0.202 1.00 0.00 H new ATOM 0 HE ARG A 65 3.468 -17.314 -2.549 1.00 0.00 H new ATOM 0 HH11 ARG A 65 1.911 -18.973 0.173 1.00 0.00 H new ATOM 0 HH12 ARG A 65 1.537 -20.421 -0.768 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.984 -19.184 -3.766 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.146 -20.541 -3.005 1.00 0.00 H new ATOM 1048 N LYS A 66 4.393 -12.893 -1.727 1.00 0.00 N ATOM 1049 CA LYS A 66 4.626 -12.575 -3.126 1.00 0.00 C ATOM 1050 C LYS A 66 5.515 -11.332 -3.221 1.00 0.00 C ATOM 1051 O LYS A 66 6.358 -11.235 -4.112 1.00 0.00 O ATOM 1052 CB LYS A 66 3.299 -12.440 -3.873 1.00 0.00 C ATOM 1053 CG LYS A 66 3.525 -11.977 -5.314 1.00 0.00 C ATOM 1054 CD LYS A 66 3.104 -13.059 -6.310 1.00 0.00 C ATOM 1055 CE LYS A 66 4.276 -13.465 -7.206 1.00 0.00 C ATOM 1056 NZ LYS A 66 4.264 -14.925 -7.445 1.00 0.00 N ATOM 0 H LYS A 66 3.446 -12.704 -1.399 1.00 0.00 H new ATOM 0 HA LYS A 66 5.160 -13.388 -3.617 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.778 -13.398 -3.872 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.657 -11.728 -3.355 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.957 -11.066 -5.500 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.577 -11.732 -5.460 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.735 -13.931 -5.770 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.282 -12.693 -6.924 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.216 -12.934 -8.156 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.217 -13.175 -6.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.893 -15.152 -8.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.594 -15.419 -6.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.296 -15.232 -7.671 1.00 0.00 H new ATOM 1070 N SER A 67 5.296 -10.416 -2.290 1.00 0.00 N ATOM 1071 CA SER A 67 6.067 -9.185 -2.258 1.00 0.00 C ATOM 1072 C SER A 67 6.662 -8.976 -0.863 1.00 0.00 C ATOM 1073 O SER A 67 6.596 -7.876 -0.315 1.00 0.00 O ATOM 1074 CB SER A 67 5.203 -7.984 -2.651 1.00 0.00 C ATOM 1075 OG SER A 67 5.958 -6.776 -2.696 1.00 0.00 O ATOM 0 H SER A 67 4.596 -10.501 -1.553 1.00 0.00 H new ATOM 0 HA SER A 67 6.877 -9.270 -2.983 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.751 -8.166 -3.626 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.387 -7.875 -1.937 1.00 0.00 H new ATOM 0 HG SER A 67 6.481 -6.686 -1.872 1.00 0.00 H new ATOM 1316 N GLN A 83 27.790 -37.156 -0.714 1.00 0.00 N ATOM 1317 CA GLN A 83 28.833 -38.163 -0.636 1.00 0.00 C ATOM 1318 C GLN A 83 28.893 -38.968 -1.936 1.00 0.00 C ATOM 1319 O GLN A 83 27.872 -39.178 -2.588 1.00 0.00 O ATOM 1320 CB GLN A 83 28.619 -39.083 0.568 1.00 0.00 C ATOM 1321 CG GLN A 83 27.152 -39.085 1.002 1.00 0.00 C ATOM 1322 CD GLN A 83 26.924 -40.056 2.162 1.00 0.00 C ATOM 1323 OE1 GLN A 83 27.726 -40.172 3.075 1.00 0.00 O ATOM 1324 NE2 GLN A 83 25.790 -40.745 2.077 1.00 0.00 N ATOM 0 HA GLN A 83 29.789 -37.657 -0.500 1.00 0.00 H new ATOM 0 HB2 GLN A 83 28.929 -40.097 0.315 1.00 0.00 H new ATOM 0 HB3 GLN A 83 29.247 -38.755 1.397 1.00 0.00 H new ATOM 0 HG2 GLN A 83 26.856 -38.079 1.301 1.00 0.00 H new ATOM 0 HG3 GLN A 83 26.520 -39.365 0.159 1.00 0.00 H new ATOM 0 HE21 GLN A 83 25.163 -40.600 1.286 1.00 0.00 H new ATOM 0 HE22 GLN A 83 25.547 -41.419 2.803 1.00 0.00 H new ATOM 1333 N SER A 84 30.101 -39.396 -2.275 1.00 0.00 N ATOM 1334 CA SER A 84 30.307 -40.173 -3.486 1.00 0.00 C ATOM 1335 C SER A 84 30.602 -41.631 -3.129 1.00 0.00 C ATOM 1336 O SER A 84 30.748 -41.968 -1.955 1.00 0.00 O ATOM 1337 CB SER A 84 31.446 -39.590 -4.325 1.00 0.00 C ATOM 1338 OG SER A 84 31.222 -38.222 -4.653 1.00 0.00 O ATOM 0 H SER A 84 30.946 -39.219 -1.732 1.00 0.00 H new ATOM 0 HA SER A 84 29.394 -40.130 -4.080 1.00 0.00 H new ATOM 0 HB2 SER A 84 32.384 -39.682 -3.777 1.00 0.00 H new ATOM 0 HB3 SER A 84 31.554 -40.169 -5.242 1.00 0.00 H new ATOM 0 HG SER A 84 31.972 -37.887 -5.187 1.00 0.00 H new ATOM 1344 N THR A 85 30.681 -42.456 -4.162 1.00 0.00 N ATOM 1345 CA THR A 85 30.955 -43.869 -3.973 1.00 0.00 C ATOM 1346 C THR A 85 32.305 -44.238 -4.590 1.00 0.00 C ATOM 1347 O THR A 85 32.855 -43.480 -5.387 1.00 0.00 O ATOM 1348 CB THR A 85 29.783 -44.662 -4.557 1.00 0.00 C ATOM 1349 OG1 THR A 85 28.639 -43.876 -4.235 1.00 0.00 O ATOM 1350 CG2 THR A 85 29.547 -45.983 -3.823 1.00 0.00 C ATOM 0 H THR A 85 30.560 -42.172 -5.134 1.00 0.00 H new ATOM 0 HA THR A 85 31.038 -44.117 -2.915 1.00 0.00 H new ATOM 0 HB THR A 85 29.969 -44.862 -5.612 1.00 0.00 H new ATOM 0 HG1 THR A 85 27.833 -44.315 -4.578 1.00 0.00 H new ATOM 0 HG21 THR A 85 28.705 -46.506 -4.277 1.00 0.00 H new ATOM 0 HG22 THR A 85 30.440 -46.603 -3.894 1.00 0.00 H new ATOM 0 HG23 THR A 85 29.327 -45.782 -2.774 1.00 0.00 H new ATOM 1358 N ASN A 86 32.802 -45.402 -4.197 1.00 0.00 N ATOM 1359 CA ASN A 86 34.077 -45.880 -4.702 1.00 0.00 C ATOM 1360 C ASN A 86 33.864 -47.201 -5.444 1.00 0.00 C ATOM 1361 O ASN A 86 32.826 -47.842 -5.292 1.00 0.00 O ATOM 1362 CB ASN A 86 35.062 -46.134 -3.558 1.00 0.00 C ATOM 1363 CG ASN A 86 35.920 -44.895 -3.288 1.00 0.00 C ATOM 1364 OD1 ASN A 86 35.557 -44.012 -2.528 1.00 0.00 O ATOM 1365 ND2 ASN A 86 37.073 -44.881 -3.949 1.00 0.00 N ATOM 0 H ASN A 86 32.344 -46.028 -3.534 1.00 0.00 H new ATOM 0 HA ASN A 86 34.484 -45.118 -5.366 1.00 0.00 H new ATOM 0 HB2 ASN A 86 34.515 -46.405 -2.655 1.00 0.00 H new ATOM 0 HB3 ASN A 86 35.704 -46.979 -3.807 1.00 0.00 H new ATOM 0 HD21 ASN A 86 37.716 -44.098 -3.836 1.00 0.00 H new ATOM 0 HD22 ASN A 86 37.314 -45.654 -4.570 1.00 0.00 H new ATOM 1372 N THR A 87 34.865 -47.569 -6.231 1.00 0.00 N ATOM 1373 CA THR A 87 34.800 -48.802 -6.996 1.00 0.00 C ATOM 1374 C THR A 87 35.790 -49.828 -6.441 1.00 0.00 C ATOM 1375 O THR A 87 36.529 -49.538 -5.501 1.00 0.00 O ATOM 1376 CB THR A 87 35.045 -48.458 -8.467 1.00 0.00 C ATOM 1377 OG1 THR A 87 36.315 -47.812 -8.466 1.00 0.00 O ATOM 1378 CG2 THR A 87 34.083 -47.387 -8.986 1.00 0.00 C ATOM 0 H THR A 87 35.725 -47.035 -6.355 1.00 0.00 H new ATOM 0 HA THR A 87 33.818 -49.267 -6.913 1.00 0.00 H new ATOM 0 HB THR A 87 34.945 -49.359 -9.072 1.00 0.00 H new ATOM 0 HG1 THR A 87 36.553 -47.556 -9.382 1.00 0.00 H new ATOM 0 HG21 THR A 87 34.300 -47.180 -10.034 1.00 0.00 H new ATOM 0 HG22 THR A 87 33.057 -47.743 -8.891 1.00 0.00 H new ATOM 0 HG23 THR A 87 34.206 -46.474 -8.403 1.00 0.00 H new ATOM 1386 N ALA A 88 35.772 -51.007 -7.045 1.00 0.00 N ATOM 1387 CA ALA A 88 36.658 -52.078 -6.621 1.00 0.00 C ATOM 1388 C ALA A 88 36.441 -53.298 -7.519 1.00 0.00 C ATOM 1389 O ALA A 88 35.596 -54.143 -7.230 1.00 0.00 O ATOM 1390 CB ALA A 88 36.413 -52.391 -5.143 1.00 0.00 C ATOM 0 H ALA A 88 35.158 -51.244 -7.824 1.00 0.00 H new ATOM 0 HA ALA A 88 37.700 -51.775 -6.721 1.00 0.00 H new ATOM 0 HB1 ALA A 88 37.078 -53.194 -4.826 1.00 0.00 H new ATOM 0 HB2 ALA A 88 36.609 -51.501 -4.545 1.00 0.00 H new ATOM 0 HB3 ALA A 88 35.377 -52.701 -5.004 1.00 0.00 H new ATOM 1396 N VAL A 89 37.222 -53.352 -8.589 1.00 0.00 N ATOM 1397 CA VAL A 89 37.125 -54.454 -9.530 1.00 0.00 C ATOM 1398 C VAL A 89 38.531 -54.962 -9.858 1.00 0.00 C ATOM 1399 O VAL A 89 39.396 -54.188 -10.266 1.00 0.00 O ATOM 1400 CB VAL A 89 36.344 -54.017 -10.770 1.00 0.00 C ATOM 1401 CG1 VAL A 89 37.020 -52.826 -11.454 1.00 0.00 C ATOM 1402 CG2 VAL A 89 36.166 -55.181 -11.746 1.00 0.00 C ATOM 0 H VAL A 89 37.924 -52.650 -8.824 1.00 0.00 H new ATOM 0 HA VAL A 89 36.572 -55.284 -9.091 1.00 0.00 H new ATOM 0 HB VAL A 89 35.353 -53.698 -10.445 1.00 0.00 H new ATOM 0 HG11 VAL A 89 36.444 -52.536 -12.333 1.00 0.00 H new ATOM 0 HG12 VAL A 89 37.069 -51.987 -10.759 1.00 0.00 H new ATOM 0 HG13 VAL A 89 38.029 -53.105 -11.758 1.00 0.00 H new ATOM 0 HG21 VAL A 89 35.607 -54.842 -12.618 1.00 0.00 H new ATOM 0 HG22 VAL A 89 37.144 -55.545 -12.060 1.00 0.00 H new ATOM 0 HG23 VAL A 89 35.619 -55.987 -11.256 1.00 0.00 H new ATOM 1412 N THR A 90 38.716 -56.260 -9.669 1.00 0.00 N ATOM 1413 CA THR A 90 40.001 -56.881 -9.940 1.00 0.00 C ATOM 1414 C THR A 90 40.298 -56.860 -11.440 1.00 0.00 C ATOM 1415 O THR A 90 39.427 -56.534 -12.244 1.00 0.00 O ATOM 1416 CB THR A 90 39.980 -58.291 -9.344 1.00 0.00 C ATOM 1417 OG1 THR A 90 41.344 -58.701 -9.378 1.00 0.00 O ATOM 1418 CG2 THR A 90 39.265 -59.296 -10.247 1.00 0.00 C ATOM 0 H THR A 90 37.997 -56.899 -9.331 1.00 0.00 H new ATOM 0 HA THR A 90 40.815 -56.327 -9.472 1.00 0.00 H new ATOM 0 HB THR A 90 39.492 -58.267 -8.370 1.00 0.00 H new ATOM 0 HG1 THR A 90 41.423 -59.605 -9.008 1.00 0.00 H new ATOM 0 HG21 THR A 90 39.278 -60.280 -9.778 1.00 0.00 H new ATOM 0 HG22 THR A 90 38.233 -58.980 -10.398 1.00 0.00 H new ATOM 0 HG23 THR A 90 39.773 -59.346 -11.210 1.00 0.00 H new ATOM 1426 N LEU A 91 41.532 -57.211 -11.772 1.00 0.00 N ATOM 1427 CA LEU A 91 41.954 -57.236 -13.161 1.00 0.00 C ATOM 1428 C LEU A 91 42.156 -58.688 -13.602 1.00 0.00 C ATOM 1429 O LEU A 91 43.019 -59.386 -13.072 1.00 0.00 O ATOM 1430 CB LEU A 91 43.189 -56.355 -13.363 1.00 0.00 C ATOM 1431 CG LEU A 91 44.206 -56.849 -14.393 1.00 0.00 C ATOM 1432 CD1 LEU A 91 43.707 -56.599 -15.818 1.00 0.00 C ATOM 1433 CD2 LEU A 91 45.581 -56.226 -14.150 1.00 0.00 C ATOM 0 H LEU A 91 42.253 -57.480 -11.102 1.00 0.00 H new ATOM 0 HA LEU A 91 41.181 -56.812 -13.801 1.00 0.00 H new ATOM 0 HB2 LEU A 91 42.856 -55.360 -13.659 1.00 0.00 H new ATOM 0 HB3 LEU A 91 43.696 -56.249 -12.404 1.00 0.00 H new ATOM 0 HG LEU A 91 44.317 -57.927 -14.274 1.00 0.00 H new ATOM 0 HD11 LEU A 91 44.448 -56.959 -16.531 1.00 0.00 H new ATOM 0 HD12 LEU A 91 42.767 -57.129 -15.973 1.00 0.00 H new ATOM 0 HD13 LEU A 91 43.550 -55.531 -15.966 1.00 0.00 H new ATOM 0 HD21 LEU A 91 46.285 -56.595 -14.897 1.00 0.00 H new ATOM 0 HD22 LEU A 91 45.507 -55.141 -14.225 1.00 0.00 H new ATOM 0 HD23 LEU A 91 45.933 -56.498 -13.155 1.00 0.00 H new ATOM 1445 N THR A 92 41.348 -59.098 -14.568 1.00 0.00 N ATOM 1446 CA THR A 92 41.427 -60.452 -15.086 1.00 0.00 C ATOM 1447 C THR A 92 41.770 -61.434 -13.964 1.00 0.00 C ATOM 1448 O THR A 92 41.363 -61.239 -12.819 1.00 0.00 O ATOM 1449 CB THR A 92 42.440 -60.461 -16.233 1.00 0.00 C ATOM 1450 OG1 THR A 92 43.678 -60.141 -15.605 1.00 0.00 O ATOM 1451 CG2 THR A 92 42.216 -59.316 -17.222 1.00 0.00 C ATOM 0 H THR A 92 40.635 -58.515 -15.006 1.00 0.00 H new ATOM 0 HA THR A 92 40.465 -60.781 -15.480 1.00 0.00 H new ATOM 0 HB THR A 92 42.381 -61.413 -16.761 1.00 0.00 H new ATOM 0 HG1 THR A 92 44.391 -60.127 -16.277 1.00 0.00 H new ATOM 0 HG21 THR A 92 42.962 -59.369 -18.015 1.00 0.00 H new ATOM 0 HG22 THR A 92 41.219 -59.399 -17.655 1.00 0.00 H new ATOM 0 HG23 THR A 92 42.308 -58.363 -16.702 1.00 0.00 H new