USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 814 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 33 SER OG : rot -120:sc= -0.228 USER MOD Set 1.2: A 39 TYR OH : rot -30:sc= 0.947 USER MOD Single : A 17 GLN : amide:sc= 0.132 K(o=0.13,f=-0.5) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 100:sc= 0.294! USER MOD Single : A 26 GLN : amide:sc= -0.374 K(o=-0.37,f=-2!) USER MOD Single : A 43 HIS : no HE2:sc= -1.72 K(o=-1.7,f=-2.2) USER MOD Single : A 44 HIS : no HE2:sc= 0.119 K(o=0.12,f=-0.92) USER MOD Single : A 52 LYS NZ :NH3+ -112:sc= -0.606 (180deg=-1.91!) USER MOD Single : A 55 LYS NZ :NH3+ -163:sc=-0.000961 (180deg=-0.0801) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 52:sc= -0.0721 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 CYS SG : rot 180:sc= -0.101 USER MOD Single : A 87 THR OG1 : rot 180:sc= -1.75 USER MOD Single : A 88 MET CE :methyl -173:sc= -0.0657 (180deg=-0.173) USER MOD Single : A 89 GLN : amide:sc= -1.51 K(o=-1.5,f=-2.3) USER MOD Single : A 90 SER OG : rot -140:sc= -1.01 USER MOD Single : A 95 LYS NZ :NH3+ 160:sc= -0.414 (180deg=-1.69!) USER MOD Single : A 100 GLN : amide:sc= -4.24! C(o=-4.2!,f=-11!) USER MOD Single : A 103 LYS NZ :NH3+ 146:sc= -0.292 (180deg=-1.47!) USER MOD Single : A 106 ASN : amide:sc= -2.49! C(o=-2.5!,f=-9.1!) USER MOD Single : A 110 LYS NZ :NH3+ 153:sc= -0.198 (180deg=-0.932) USER MOD Single : A 115 TYR OH : rot -163:sc= -1.18! USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 156 N GLU A 11 -10.523 12.037 1.037 1.00 0.00 N ATOM 157 CA GLU A 11 -9.783 12.990 1.912 1.00 0.00 C ATOM 158 C GLU A 11 -8.703 12.235 2.690 1.00 0.00 C ATOM 159 O GLU A 11 -7.621 12.738 2.915 1.00 0.00 O ATOM 160 CB GLU A 11 -10.757 13.643 2.895 1.00 0.00 C ATOM 161 CG GLU A 11 -11.976 14.168 2.134 1.00 0.00 C ATOM 162 CD GLU A 11 -12.644 15.281 2.944 1.00 0.00 C ATOM 163 OE1 GLU A 11 -13.424 14.959 3.825 1.00 0.00 O ATOM 164 OE2 GLU A 11 -12.362 16.436 2.670 1.00 0.00 O ATOM 0 HA GLU A 11 -9.317 13.760 1.297 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -11.069 12.920 3.648 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -10.265 14.460 3.422 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -11.673 14.546 1.158 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -12.684 13.358 1.957 1.00 0.00 H new ATOM 171 N GLU A 12 -8.989 11.030 3.103 1.00 0.00 N ATOM 172 CA GLU A 12 -7.979 10.244 3.866 1.00 0.00 C ATOM 173 C GLU A 12 -6.883 9.761 2.914 1.00 0.00 C ATOM 174 O GLU A 12 -5.714 10.026 3.112 1.00 0.00 O ATOM 175 CB GLU A 12 -8.657 9.036 4.518 1.00 0.00 C ATOM 176 CG GLU A 12 -9.874 9.504 5.319 1.00 0.00 C ATOM 177 CD GLU A 12 -9.482 9.674 6.788 1.00 0.00 C ATOM 178 OE1 GLU A 12 -8.816 10.649 7.094 1.00 0.00 O ATOM 179 OE2 GLU A 12 -9.856 8.827 7.583 1.00 0.00 O ATOM 0 H GLU A 12 -9.878 10.556 2.945 1.00 0.00 H new ATOM 0 HA GLU A 12 -7.538 10.874 4.639 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -8.964 8.322 3.754 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.954 8.520 5.172 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.245 10.447 4.919 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.683 8.779 5.229 1.00 0.00 H new ATOM 186 N LEU A 13 -7.251 9.055 1.879 1.00 0.00 N ATOM 187 CA LEU A 13 -6.229 8.558 0.916 1.00 0.00 C ATOM 188 C LEU A 13 -5.338 9.720 0.475 1.00 0.00 C ATOM 189 O LEU A 13 -4.132 9.596 0.398 1.00 0.00 O ATOM 190 CB LEU A 13 -6.930 7.958 -0.305 1.00 0.00 C ATOM 191 CG LEU A 13 -8.207 7.246 0.141 1.00 0.00 C ATOM 192 CD1 LEU A 13 -8.788 6.458 -1.035 1.00 0.00 C ATOM 193 CD2 LEU A 13 -7.878 6.285 1.285 1.00 0.00 C ATOM 0 H LEU A 13 -8.214 8.802 1.660 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.617 7.794 1.395 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.170 8.743 -1.022 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.267 7.256 -0.810 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.936 7.982 0.481 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.699 5.950 -0.718 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.019 7.141 -1.852 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.060 5.721 -1.374 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.787 5.776 1.605 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.150 5.549 0.944 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.462 6.845 2.122 1.00 0.00 H new ATOM 205 N ILE A 14 -5.923 10.850 0.185 1.00 0.00 N ATOM 206 CA ILE A 14 -5.108 12.019 -0.249 1.00 0.00 C ATOM 207 C ILE A 14 -4.090 12.361 0.841 1.00 0.00 C ATOM 208 O ILE A 14 -2.923 12.563 0.573 1.00 0.00 O ATOM 209 CB ILE A 14 -6.025 13.220 -0.484 1.00 0.00 C ATOM 210 CG1 ILE A 14 -6.846 12.992 -1.757 1.00 0.00 C ATOM 211 CG2 ILE A 14 -5.180 14.484 -0.645 1.00 0.00 C ATOM 212 CD1 ILE A 14 -8.056 13.929 -1.758 1.00 0.00 C ATOM 0 H ILE A 14 -6.929 11.014 0.230 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.584 11.775 -1.173 1.00 0.00 H new ATOM 0 HB ILE A 14 -6.696 13.337 0.367 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.230 13.175 -2.637 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -7.176 11.954 -1.809 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.834 15.340 -0.813 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.593 14.647 0.259 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.510 14.367 -1.497 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -8.641 13.767 -2.664 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -8.675 13.724 -0.885 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.715 14.964 -1.726 1.00 0.00 H new ATOM 224 N GLU A 15 -4.524 12.425 2.070 1.00 0.00 N ATOM 225 CA GLU A 15 -3.582 12.753 3.178 1.00 0.00 C ATOM 226 C GLU A 15 -2.430 11.746 3.179 1.00 0.00 C ATOM 227 O GLU A 15 -1.277 12.107 3.046 1.00 0.00 O ATOM 228 CB GLU A 15 -4.324 12.682 4.515 1.00 0.00 C ATOM 229 CG GLU A 15 -3.952 13.891 5.378 1.00 0.00 C ATOM 230 CD GLU A 15 -4.911 15.046 5.078 1.00 0.00 C ATOM 231 OE1 GLU A 15 -5.707 14.906 4.165 1.00 0.00 O ATOM 232 OE2 GLU A 15 -4.834 16.048 5.769 1.00 0.00 O ATOM 0 H GLU A 15 -5.490 12.264 2.355 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.186 13.759 3.036 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.400 12.663 4.344 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.068 11.759 5.035 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.003 13.627 6.434 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.925 14.195 5.174 1.00 0.00 H new ATOM 239 N ILE A 16 -2.732 10.486 3.330 1.00 0.00 N ATOM 240 CA ILE A 16 -1.654 9.457 3.342 1.00 0.00 C ATOM 241 C ILE A 16 -0.682 9.720 2.189 1.00 0.00 C ATOM 242 O ILE A 16 0.413 10.207 2.388 1.00 0.00 O ATOM 243 CB ILE A 16 -2.275 8.069 3.178 1.00 0.00 C ATOM 244 CG1 ILE A 16 -3.187 7.775 4.372 1.00 0.00 C ATOM 245 CG2 ILE A 16 -1.167 7.017 3.115 1.00 0.00 C ATOM 246 CD1 ILE A 16 -4.147 6.638 4.015 1.00 0.00 C ATOM 0 H ILE A 16 -3.679 10.124 3.446 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.115 9.506 4.288 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.857 8.039 2.257 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.589 7.500 5.241 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -3.750 8.669 4.642 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.610 6.028 2.998 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.515 7.225 2.266 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.584 7.047 4.036 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.796 6.429 4.865 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.754 6.930 3.158 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.575 5.744 3.767 1.00 0.00 H new ATOM 258 N GLN A 17 -1.073 9.399 0.986 1.00 0.00 N ATOM 259 CA GLN A 17 -0.170 9.629 -0.177 1.00 0.00 C ATOM 260 C GLN A 17 0.626 10.918 0.040 1.00 0.00 C ATOM 261 O GLN A 17 1.775 11.021 -0.341 1.00 0.00 O ATOM 262 CB GLN A 17 -1.004 9.751 -1.455 1.00 0.00 C ATOM 263 CG GLN A 17 -0.511 8.736 -2.488 1.00 0.00 C ATOM 264 CD GLN A 17 -0.982 7.335 -2.094 1.00 0.00 C ATOM 265 OE1 GLN A 17 -2.137 7.138 -1.772 1.00 0.00 O ATOM 266 NE2 GLN A 17 -0.130 6.347 -2.105 1.00 0.00 N ATOM 0 H GLN A 17 -1.978 8.988 0.758 1.00 0.00 H new ATOM 0 HA GLN A 17 0.519 8.790 -0.273 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.057 9.577 -1.232 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.926 10.761 -1.857 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -0.891 8.994 -3.477 1.00 0.00 H new ATOM 0 HG3 GLN A 17 0.577 8.762 -2.548 1.00 0.00 H new ATOM 0 HE21 GLN A 17 0.839 6.513 -2.375 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -0.433 5.409 -1.843 1.00 0.00 H new ATOM 275 N LYS A 18 0.025 11.904 0.648 1.00 0.00 N ATOM 276 CA LYS A 18 0.749 13.185 0.888 1.00 0.00 C ATOM 277 C LYS A 18 2.023 12.911 1.690 1.00 0.00 C ATOM 278 O LYS A 18 3.118 13.212 1.257 1.00 0.00 O ATOM 279 CB LYS A 18 -0.152 14.139 1.675 1.00 0.00 C ATOM 280 CG LYS A 18 0.124 15.579 1.239 1.00 0.00 C ATOM 281 CD LYS A 18 -0.880 15.989 0.160 1.00 0.00 C ATOM 282 CE LYS A 18 -2.222 16.330 0.812 1.00 0.00 C ATOM 283 NZ LYS A 18 -3.026 17.170 -0.119 1.00 0.00 N ATOM 0 H LYS A 18 -0.936 11.878 0.989 1.00 0.00 H new ATOM 0 HA LYS A 18 1.013 13.637 -0.068 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.199 13.891 1.504 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.031 14.030 2.744 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.048 16.250 2.095 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.141 15.665 0.856 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.504 16.849 -0.393 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.008 15.179 -0.558 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.764 15.416 1.054 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.059 16.861 1.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.938 17.402 0.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.509 18.048 -0.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.193 16.647 -1.002 1.00 0.00 H new ATOM 297 N GLU A 19 1.889 12.343 2.856 1.00 0.00 N ATOM 298 CA GLU A 19 3.091 12.052 3.688 1.00 0.00 C ATOM 299 C GLU A 19 3.960 11.008 2.983 1.00 0.00 C ATOM 300 O GLU A 19 5.091 11.269 2.623 1.00 0.00 O ATOM 301 CB GLU A 19 2.646 11.511 5.049 1.00 0.00 C ATOM 302 CG GLU A 19 3.757 10.645 5.645 1.00 0.00 C ATOM 303 CD GLU A 19 3.419 10.313 7.100 1.00 0.00 C ATOM 304 OE1 GLU A 19 2.602 9.433 7.312 1.00 0.00 O ATOM 305 OE2 GLU A 19 3.983 10.945 7.977 1.00 0.00 O ATOM 0 H GLU A 19 0.998 12.067 3.270 1.00 0.00 H new ATOM 0 HA GLU A 19 3.667 12.967 3.829 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.414 12.337 5.722 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.734 10.925 4.938 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.867 9.727 5.067 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.710 11.171 5.593 1.00 0.00 H new ATOM 312 N GLU A 20 3.443 9.827 2.786 1.00 0.00 N ATOM 313 CA GLU A 20 4.241 8.766 2.109 1.00 0.00 C ATOM 314 C GLU A 20 5.038 9.379 0.956 1.00 0.00 C ATOM 315 O GLU A 20 6.251 9.441 0.992 1.00 0.00 O ATOM 316 CB GLU A 20 3.298 7.690 1.565 1.00 0.00 C ATOM 317 CG GLU A 20 3.239 6.520 2.549 1.00 0.00 C ATOM 318 CD GLU A 20 2.373 5.402 1.964 1.00 0.00 C ATOM 319 OE1 GLU A 20 1.676 5.663 0.997 1.00 0.00 O ATOM 320 OE2 GLU A 20 2.421 4.303 2.493 1.00 0.00 O ATOM 0 H GLU A 20 2.502 9.550 3.065 1.00 0.00 H new ATOM 0 HA GLU A 20 4.930 8.318 2.825 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.301 8.106 1.417 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.647 7.344 0.592 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.244 6.149 2.749 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.827 6.853 3.502 1.00 0.00 H new ATOM 327 N THR A 21 4.368 9.832 -0.069 1.00 0.00 N ATOM 328 CA THR A 21 5.093 10.439 -1.222 1.00 0.00 C ATOM 329 C THR A 21 6.275 11.262 -0.707 1.00 0.00 C ATOM 330 O THR A 21 7.417 10.988 -1.017 1.00 0.00 O ATOM 331 CB THR A 21 4.142 11.349 -2.004 1.00 0.00 C ATOM 332 OG1 THR A 21 2.912 10.670 -2.218 1.00 0.00 O ATOM 333 CG2 THR A 21 4.771 11.708 -3.351 1.00 0.00 C ATOM 0 H THR A 21 3.352 9.808 -0.158 1.00 0.00 H new ATOM 0 HA THR A 21 5.458 9.647 -1.876 1.00 0.00 H new ATOM 0 HB THR A 21 3.960 12.262 -1.437 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.252 10.974 -1.560 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.094 12.356 -3.908 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.715 12.227 -3.185 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.953 10.797 -3.922 1.00 0.00 H new ATOM 341 N ARG A 22 6.010 12.270 0.078 1.00 0.00 N ATOM 342 CA ARG A 22 7.121 13.110 0.611 1.00 0.00 C ATOM 343 C ARG A 22 8.258 12.206 1.088 1.00 0.00 C ATOM 344 O ARG A 22 9.397 12.369 0.697 1.00 0.00 O ATOM 345 CB ARG A 22 6.608 13.950 1.783 1.00 0.00 C ATOM 346 CG ARG A 22 5.383 14.751 1.338 1.00 0.00 C ATOM 347 CD ARG A 22 5.811 16.168 0.955 1.00 0.00 C ATOM 348 NE ARG A 22 5.903 17.008 2.182 1.00 0.00 N ATOM 349 CZ ARG A 22 6.515 18.160 2.140 1.00 0.00 C ATOM 350 NH1 ARG A 22 7.037 18.582 1.021 1.00 0.00 N ATOM 351 NH2 ARG A 22 6.603 18.890 3.218 1.00 0.00 N ATOM 0 H ARG A 22 5.074 12.548 0.373 1.00 0.00 H new ATOM 0 HA ARG A 22 7.488 13.771 -0.175 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.348 13.304 2.621 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.390 14.625 2.131 1.00 0.00 H new ATOM 0 HG2 ARG A 22 4.905 14.262 0.489 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.647 14.787 2.141 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.774 16.143 0.445 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.093 16.600 0.258 1.00 0.00 H new ATOM 0 HE ARG A 22 5.488 16.683 3.055 1.00 0.00 H new ATOM 0 HH11 ARG A 22 6.967 18.011 0.178 1.00 0.00 H new ATOM 0 HH12 ARG A 22 7.515 19.482 0.989 1.00 0.00 H new ATOM 0 HH21 ARG A 22 6.194 18.560 4.092 1.00 0.00 H new ATOM 0 HH22 ARG A 22 7.081 19.790 3.187 1.00 0.00 H new ATOM 365 N ASP A 23 7.961 11.253 1.930 1.00 0.00 N ATOM 366 CA ASP A 23 9.030 10.341 2.427 1.00 0.00 C ATOM 367 C ASP A 23 9.832 9.803 1.242 1.00 0.00 C ATOM 368 O ASP A 23 11.045 9.872 1.218 1.00 0.00 O ATOM 369 CB ASP A 23 8.391 9.174 3.183 1.00 0.00 C ATOM 370 CG ASP A 23 7.294 9.705 4.109 1.00 0.00 C ATOM 371 OD1 ASP A 23 7.305 10.893 4.386 1.00 0.00 O ATOM 372 OD2 ASP A 23 6.462 8.915 4.522 1.00 0.00 O ATOM 0 H ASP A 23 7.027 11.067 2.294 1.00 0.00 H new ATOM 0 HA ASP A 23 9.694 10.888 3.096 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.971 8.457 2.478 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.147 8.645 3.763 1.00 0.00 H new ATOM 377 N ILE A 24 9.164 9.267 0.257 1.00 0.00 N ATOM 378 CA ILE A 24 9.889 8.725 -0.926 1.00 0.00 C ATOM 379 C ILE A 24 10.734 9.833 -1.557 1.00 0.00 C ATOM 380 O ILE A 24 11.935 9.707 -1.696 1.00 0.00 O ATOM 381 CB ILE A 24 8.877 8.210 -1.951 1.00 0.00 C ATOM 382 CG1 ILE A 24 7.745 7.478 -1.227 1.00 0.00 C ATOM 383 CG2 ILE A 24 9.571 7.246 -2.915 1.00 0.00 C ATOM 384 CD1 ILE A 24 6.887 6.730 -2.248 1.00 0.00 C ATOM 0 H ILE A 24 8.148 9.181 0.221 1.00 0.00 H new ATOM 0 HA ILE A 24 10.538 7.907 -0.612 1.00 0.00 H new ATOM 0 HB ILE A 24 8.468 9.051 -2.510 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.157 6.778 -0.500 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.133 8.190 -0.673 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.849 6.879 -3.645 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.378 7.766 -3.432 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.981 6.405 -2.356 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.080 6.208 -1.733 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.464 7.441 -2.958 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.504 6.007 -2.782 1.00 0.00 H new ATOM 396 N ILE A 25 10.118 10.917 -1.941 1.00 0.00 N ATOM 397 CA ILE A 25 10.887 12.031 -2.563 1.00 0.00 C ATOM 398 C ILE A 25 12.135 12.316 -1.725 1.00 0.00 C ATOM 399 O ILE A 25 13.201 12.568 -2.248 1.00 0.00 O ATOM 400 CB ILE A 25 10.014 13.284 -2.621 1.00 0.00 C ATOM 401 CG1 ILE A 25 8.672 12.942 -3.274 1.00 0.00 C ATOM 402 CG2 ILE A 25 10.722 14.361 -3.447 1.00 0.00 C ATOM 403 CD1 ILE A 25 8.904 11.996 -4.455 1.00 0.00 C ATOM 0 H ILE A 25 9.115 11.079 -1.851 1.00 0.00 H new ATOM 0 HA ILE A 25 11.183 11.749 -3.573 1.00 0.00 H new ATOM 0 HB ILE A 25 9.843 13.654 -1.610 1.00 0.00 H new ATOM 0 HG12 ILE A 25 8.010 12.475 -2.545 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.179 13.852 -3.615 1.00 0.00 H new ATOM 0 HG21 ILE A 25 10.100 15.255 -3.489 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.678 14.605 -2.983 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.893 13.990 -4.458 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.948 11.753 -4.920 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.551 12.480 -5.187 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.378 11.081 -4.100 1.00 0.00 H new ATOM 415 N GLN A 26 12.009 12.279 -0.426 1.00 0.00 N ATOM 416 CA GLN A 26 13.188 12.548 0.444 1.00 0.00 C ATOM 417 C GLN A 26 14.305 11.558 0.106 1.00 0.00 C ATOM 418 O GLN A 26 15.428 11.940 -0.156 1.00 0.00 O ATOM 419 CB GLN A 26 12.788 12.385 1.912 1.00 0.00 C ATOM 420 CG GLN A 26 11.659 13.362 2.249 1.00 0.00 C ATOM 421 CD GLN A 26 12.152 14.384 3.277 1.00 0.00 C ATOM 422 OE1 GLN A 26 13.053 14.106 4.043 1.00 0.00 O ATOM 423 NE2 GLN A 26 11.595 15.564 3.325 1.00 0.00 N ATOM 0 H GLN A 26 11.141 12.074 0.069 1.00 0.00 H new ATOM 0 HA GLN A 26 13.540 13.566 0.276 1.00 0.00 H new ATOM 0 HB2 GLN A 26 12.464 11.361 2.100 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.647 12.571 2.556 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.325 13.872 1.346 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.801 12.819 2.644 1.00 0.00 H new ATOM 0 HE21 GLN A 26 10.839 15.797 2.682 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.916 16.252 4.006 1.00 0.00 H new ATOM 432 N ALA A 27 14.005 10.287 0.107 1.00 0.00 N ATOM 433 CA ALA A 27 15.047 9.275 -0.216 1.00 0.00 C ATOM 434 C ALA A 27 15.564 9.515 -1.636 1.00 0.00 C ATOM 435 O ALA A 27 16.748 9.676 -1.857 1.00 0.00 O ATOM 436 CB ALA A 27 14.444 7.871 -0.123 1.00 0.00 C ATOM 0 H ALA A 27 13.082 9.907 0.318 1.00 0.00 H new ATOM 0 HA ALA A 27 15.871 9.362 0.492 1.00 0.00 H new ATOM 0 HB1 ALA A 27 15.208 7.130 -0.360 1.00 0.00 H new ATOM 0 HB2 ALA A 27 14.074 7.700 0.888 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.620 7.781 -0.831 1.00 0.00 H new ATOM 442 N LEU A 28 14.686 9.544 -2.600 1.00 0.00 N ATOM 443 CA LEU A 28 15.128 9.777 -4.003 1.00 0.00 C ATOM 444 C LEU A 28 16.068 10.984 -4.042 1.00 0.00 C ATOM 445 O LEU A 28 17.131 10.936 -4.629 1.00 0.00 O ATOM 446 CB LEU A 28 13.905 10.051 -4.884 1.00 0.00 C ATOM 447 CG LEU A 28 13.826 9.003 -5.996 1.00 0.00 C ATOM 448 CD1 LEU A 28 12.410 8.982 -6.576 1.00 0.00 C ATOM 449 CD2 LEU A 28 14.824 9.359 -7.102 1.00 0.00 C ATOM 0 H LEU A 28 13.682 9.416 -2.477 1.00 0.00 H new ATOM 0 HA LEU A 28 15.651 8.895 -4.374 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.997 10.025 -4.281 1.00 0.00 H new ATOM 0 HB3 LEU A 28 13.972 11.049 -5.316 1.00 0.00 H new ATOM 0 HG LEU A 28 14.067 8.021 -5.589 1.00 0.00 H new ATOM 0 HD11 LEU A 28 12.352 8.236 -7.368 1.00 0.00 H new ATOM 0 HD12 LEU A 28 11.698 8.732 -5.789 1.00 0.00 H new ATOM 0 HD13 LEU A 28 12.169 9.964 -6.984 1.00 0.00 H new ATOM 0 HD21 LEU A 28 14.769 8.613 -7.895 1.00 0.00 H new ATOM 0 HD22 LEU A 28 14.581 10.341 -7.509 1.00 0.00 H new ATOM 0 HD23 LEU A 28 15.833 9.377 -6.690 1.00 0.00 H new ATOM 461 N LEU A 29 15.685 12.065 -3.420 1.00 0.00 N ATOM 462 CA LEU A 29 16.557 13.272 -3.419 1.00 0.00 C ATOM 463 C LEU A 29 17.875 12.942 -2.719 1.00 0.00 C ATOM 464 O LEU A 29 18.925 12.915 -3.330 1.00 0.00 O ATOM 465 CB LEU A 29 15.856 14.410 -2.673 1.00 0.00 C ATOM 466 CG LEU A 29 15.283 15.407 -3.682 1.00 0.00 C ATOM 467 CD1 LEU A 29 14.558 16.529 -2.937 1.00 0.00 C ATOM 468 CD2 LEU A 29 16.422 16.001 -4.512 1.00 0.00 C ATOM 0 H LEU A 29 14.806 12.164 -2.913 1.00 0.00 H new ATOM 0 HA LEU A 29 16.754 13.580 -4.446 1.00 0.00 H new ATOM 0 HB2 LEU A 29 15.058 14.011 -2.047 1.00 0.00 H new ATOM 0 HB3 LEU A 29 16.560 14.912 -2.010 1.00 0.00 H new ATOM 0 HG LEU A 29 14.580 14.895 -4.340 1.00 0.00 H new ATOM 0 HD11 LEU A 29 14.150 17.239 -3.656 1.00 0.00 H new ATOM 0 HD12 LEU A 29 13.747 16.107 -2.344 1.00 0.00 H new ATOM 0 HD13 LEU A 29 15.260 17.042 -2.279 1.00 0.00 H new ATOM 0 HD21 LEU A 29 16.016 16.712 -5.232 1.00 0.00 H new ATOM 0 HD22 LEU A 29 17.124 16.513 -3.853 1.00 0.00 H new ATOM 0 HD23 LEU A 29 16.940 15.202 -5.043 1.00 0.00 H new ATOM 480 N GLU A 30 17.829 12.685 -1.440 1.00 0.00 N ATOM 481 CA GLU A 30 19.079 12.352 -0.701 1.00 0.00 C ATOM 482 C GLU A 30 19.996 11.527 -1.605 1.00 0.00 C ATOM 483 O GLU A 30 21.203 11.674 -1.583 1.00 0.00 O ATOM 484 CB GLU A 30 18.732 11.543 0.550 1.00 0.00 C ATOM 485 CG GLU A 30 19.764 11.826 1.644 1.00 0.00 C ATOM 486 CD GLU A 30 19.829 10.637 2.605 1.00 0.00 C ATOM 487 OE1 GLU A 30 20.249 9.576 2.176 1.00 0.00 O ATOM 488 OE2 GLU A 30 19.459 10.809 3.754 1.00 0.00 O ATOM 0 H GLU A 30 16.980 12.691 -0.875 1.00 0.00 H new ATOM 0 HA GLU A 30 19.586 13.271 -0.408 1.00 0.00 H new ATOM 0 HB2 GLU A 30 17.734 11.805 0.900 1.00 0.00 H new ATOM 0 HB3 GLU A 30 18.718 10.479 0.315 1.00 0.00 H new ATOM 0 HG2 GLU A 30 20.743 12.001 1.198 1.00 0.00 H new ATOM 0 HG3 GLU A 30 19.495 12.732 2.187 1.00 0.00 H new ATOM 495 N ASP A 31 19.434 10.661 -2.404 1.00 0.00 N ATOM 496 CA ASP A 31 20.275 9.830 -3.310 1.00 0.00 C ATOM 497 C ASP A 31 21.093 10.746 -4.220 1.00 0.00 C ATOM 498 O ASP A 31 22.195 10.420 -4.618 1.00 0.00 O ATOM 499 CB ASP A 31 19.375 8.932 -4.162 1.00 0.00 C ATOM 500 CG ASP A 31 20.235 7.913 -4.913 1.00 0.00 C ATOM 501 OD1 ASP A 31 21.035 8.334 -5.733 1.00 0.00 O ATOM 502 OD2 ASP A 31 20.079 6.731 -4.657 1.00 0.00 O ATOM 0 H ASP A 31 18.430 10.494 -2.468 1.00 0.00 H new ATOM 0 HA ASP A 31 20.947 9.209 -2.718 1.00 0.00 H new ATOM 0 HB2 ASP A 31 18.652 8.417 -3.529 1.00 0.00 H new ATOM 0 HB3 ASP A 31 18.806 9.535 -4.869 1.00 0.00 H new ATOM 507 N GLY A 32 20.565 11.893 -4.554 1.00 0.00 N ATOM 508 CA GLY A 32 21.317 12.831 -5.436 1.00 0.00 C ATOM 509 C GLY A 32 20.495 13.128 -6.692 1.00 0.00 C ATOM 510 O GLY A 32 20.931 13.837 -7.576 1.00 0.00 O ATOM 0 H GLY A 32 19.647 12.220 -4.255 1.00 0.00 H new ATOM 0 HA2 GLY A 32 21.530 13.757 -4.901 1.00 0.00 H new ATOM 0 HA3 GLY A 32 22.277 12.395 -5.712 1.00 0.00 H new ATOM 514 N SER A 33 19.310 12.592 -6.778 1.00 0.00 N ATOM 515 CA SER A 33 18.462 12.845 -7.977 1.00 0.00 C ATOM 516 C SER A 33 18.379 14.351 -8.236 1.00 0.00 C ATOM 517 O SER A 33 18.796 15.155 -7.425 1.00 0.00 O ATOM 518 CB SER A 33 17.058 12.292 -7.733 1.00 0.00 C ATOM 519 OG SER A 33 17.077 10.880 -7.885 1.00 0.00 O ATOM 0 H SER A 33 18.891 11.989 -6.070 1.00 0.00 H new ATOM 0 HA SER A 33 18.902 12.352 -8.844 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.719 12.557 -6.731 1.00 0.00 H new ATOM 0 HB3 SER A 33 16.353 12.736 -8.436 1.00 0.00 H new ATOM 0 HG SER A 33 16.462 10.620 -8.602 1.00 0.00 H new ATOM 525 N ASP A 34 17.843 14.742 -9.360 1.00 0.00 N ATOM 526 CA ASP A 34 17.734 16.196 -9.669 1.00 0.00 C ATOM 527 C ASP A 34 16.320 16.509 -10.167 1.00 0.00 C ATOM 528 O ASP A 34 15.687 15.695 -10.810 1.00 0.00 O ATOM 529 CB ASP A 34 18.750 16.565 -10.754 1.00 0.00 C ATOM 530 CG ASP A 34 19.894 17.368 -10.132 1.00 0.00 C ATOM 531 OD1 ASP A 34 20.590 16.817 -9.295 1.00 0.00 O ATOM 532 OD2 ASP A 34 20.054 18.519 -10.503 1.00 0.00 O ATOM 0 H ASP A 34 17.476 14.117 -10.078 1.00 0.00 H new ATOM 0 HA ASP A 34 17.938 16.774 -8.768 1.00 0.00 H new ATOM 0 HB2 ASP A 34 19.139 15.662 -11.224 1.00 0.00 H new ATOM 0 HB3 ASP A 34 18.266 17.149 -11.537 1.00 0.00 H new ATOM 537 N PRO A 35 15.832 17.684 -9.869 1.00 0.00 N ATOM 538 CA PRO A 35 14.469 18.121 -10.289 1.00 0.00 C ATOM 539 C PRO A 35 14.383 18.382 -11.796 1.00 0.00 C ATOM 540 O PRO A 35 13.311 18.462 -12.362 1.00 0.00 O ATOM 541 CB PRO A 35 14.243 19.418 -9.509 1.00 0.00 C ATOM 542 CG PRO A 35 15.607 19.939 -9.196 1.00 0.00 C ATOM 543 CD PRO A 35 16.530 18.724 -9.099 1.00 0.00 C ATOM 0 HA PRO A 35 13.720 17.356 -10.086 1.00 0.00 H new ATOM 0 HB2 PRO A 35 13.674 20.137 -10.099 1.00 0.00 H new ATOM 0 HB3 PRO A 35 13.675 19.234 -8.597 1.00 0.00 H new ATOM 0 HG2 PRO A 35 15.948 20.623 -9.973 1.00 0.00 H new ATOM 0 HG3 PRO A 35 15.603 20.497 -8.260 1.00 0.00 H new ATOM 0 HD2 PRO A 35 17.514 18.936 -9.516 1.00 0.00 H new ATOM 0 HD3 PRO A 35 16.682 18.420 -8.063 1.00 0.00 H new ATOM 551 N ASP A 36 15.505 18.512 -12.450 1.00 0.00 N ATOM 552 CA ASP A 36 15.486 18.764 -13.918 1.00 0.00 C ATOM 553 C ASP A 36 15.623 17.434 -14.663 1.00 0.00 C ATOM 554 O ASP A 36 15.508 17.372 -15.870 1.00 0.00 O ATOM 555 CB ASP A 36 16.652 19.683 -14.294 1.00 0.00 C ATOM 556 CG ASP A 36 17.505 19.959 -13.055 1.00 0.00 C ATOM 557 OD1 ASP A 36 16.933 20.265 -12.022 1.00 0.00 O ATOM 558 OD2 ASP A 36 18.716 19.862 -13.161 1.00 0.00 O ATOM 0 H ASP A 36 16.433 18.455 -12.031 1.00 0.00 H new ATOM 0 HA ASP A 36 14.546 19.241 -14.194 1.00 0.00 H new ATOM 0 HB2 ASP A 36 17.259 19.218 -15.070 1.00 0.00 H new ATOM 0 HB3 ASP A 36 16.273 20.619 -14.704 1.00 0.00 H new ATOM 563 N ALA A 37 15.869 16.370 -13.950 1.00 0.00 N ATOM 564 CA ALA A 37 16.012 15.045 -14.616 1.00 0.00 C ATOM 565 C ALA A 37 14.651 14.589 -15.145 1.00 0.00 C ATOM 566 O ALA A 37 14.549 13.615 -15.864 1.00 0.00 O ATOM 567 CB ALA A 37 16.538 14.023 -13.606 1.00 0.00 C ATOM 0 H ALA A 37 15.977 16.361 -12.936 1.00 0.00 H new ATOM 0 HA ALA A 37 16.713 15.129 -15.447 1.00 0.00 H new ATOM 0 HB1 ALA A 37 16.643 13.053 -14.091 1.00 0.00 H new ATOM 0 HB2 ALA A 37 17.508 14.348 -13.231 1.00 0.00 H new ATOM 0 HB3 ALA A 37 15.838 13.939 -12.775 1.00 0.00 H new ATOM 573 N LEU A 38 13.604 15.284 -14.794 1.00 0.00 N ATOM 574 CA LEU A 38 12.251 14.886 -15.276 1.00 0.00 C ATOM 575 C LEU A 38 11.972 13.441 -14.860 1.00 0.00 C ATOM 576 O LEU A 38 12.738 12.543 -15.147 1.00 0.00 O ATOM 577 CB LEU A 38 12.197 15.001 -16.800 1.00 0.00 C ATOM 578 CG LEU A 38 11.442 16.274 -17.189 1.00 0.00 C ATOM 579 CD1 LEU A 38 11.506 16.463 -18.705 1.00 0.00 C ATOM 580 CD2 LEU A 38 9.980 16.155 -16.750 1.00 0.00 C ATOM 0 H LEU A 38 13.627 16.109 -14.195 1.00 0.00 H new ATOM 0 HA LEU A 38 11.499 15.543 -14.839 1.00 0.00 H new ATOM 0 HB2 LEU A 38 13.207 15.025 -17.210 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.702 14.128 -17.224 1.00 0.00 H new ATOM 0 HG LEU A 38 11.900 17.132 -16.697 1.00 0.00 H new ATOM 0 HD11 LEU A 38 10.968 17.370 -18.982 1.00 0.00 H new ATOM 0 HD12 LEU A 38 12.547 16.549 -19.017 1.00 0.00 H new ATOM 0 HD13 LEU A 38 11.049 15.605 -19.198 1.00 0.00 H new ATOM 0 HD21 LEU A 38 9.442 17.062 -17.027 1.00 0.00 H new ATOM 0 HD22 LEU A 38 9.521 15.297 -17.241 1.00 0.00 H new ATOM 0 HD23 LEU A 38 9.934 16.022 -15.669 1.00 0.00 H new ATOM 592 N TYR A 39 10.883 13.210 -14.180 1.00 0.00 N ATOM 593 CA TYR A 39 10.560 11.824 -13.739 1.00 0.00 C ATOM 594 C TYR A 39 9.248 11.367 -14.382 1.00 0.00 C ATOM 595 O TYR A 39 8.356 12.155 -14.623 1.00 0.00 O ATOM 596 CB TYR A 39 10.414 11.800 -12.217 1.00 0.00 C ATOM 597 CG TYR A 39 11.746 11.473 -11.585 1.00 0.00 C ATOM 598 CD1 TYR A 39 12.798 12.395 -11.653 1.00 0.00 C ATOM 599 CD2 TYR A 39 11.927 10.250 -10.929 1.00 0.00 C ATOM 600 CE1 TYR A 39 14.032 12.092 -11.065 1.00 0.00 C ATOM 601 CE2 TYR A 39 13.161 9.947 -10.342 1.00 0.00 C ATOM 602 CZ TYR A 39 14.213 10.868 -10.410 1.00 0.00 C ATOM 603 OH TYR A 39 15.429 10.569 -9.830 1.00 0.00 O ATOM 0 H TYR A 39 10.203 13.921 -13.911 1.00 0.00 H new ATOM 0 HA TYR A 39 11.362 11.152 -14.044 1.00 0.00 H new ATOM 0 HB2 TYR A 39 10.059 12.767 -11.860 1.00 0.00 H new ATOM 0 HB3 TYR A 39 9.670 11.059 -11.925 1.00 0.00 H new ATOM 0 HD1 TYR A 39 12.657 13.339 -12.159 1.00 0.00 H new ATOM 0 HD2 TYR A 39 11.115 9.540 -10.876 1.00 0.00 H new ATOM 0 HE1 TYR A 39 14.844 12.802 -11.117 1.00 0.00 H new ATOM 0 HE2 TYR A 39 13.301 9.003 -9.837 1.00 0.00 H new ATOM 0 HH TYR A 39 16.147 11.014 -10.327 1.00 0.00 H new ATOM 613 N GLU A 40 9.124 10.096 -14.656 1.00 0.00 N ATOM 614 CA GLU A 40 7.869 9.583 -15.276 1.00 0.00 C ATOM 615 C GLU A 40 6.983 8.976 -14.186 1.00 0.00 C ATOM 616 O GLU A 40 7.284 7.934 -13.638 1.00 0.00 O ATOM 617 CB GLU A 40 8.213 8.511 -16.312 1.00 0.00 C ATOM 618 CG GLU A 40 9.478 8.917 -17.070 1.00 0.00 C ATOM 619 CD GLU A 40 9.636 8.037 -18.311 1.00 0.00 C ATOM 620 OE1 GLU A 40 9.487 6.833 -18.182 1.00 0.00 O ATOM 621 OE2 GLU A 40 9.905 8.581 -19.369 1.00 0.00 O ATOM 0 H GLU A 40 9.839 9.390 -14.477 1.00 0.00 H new ATOM 0 HA GLU A 40 7.340 10.401 -15.766 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.365 7.550 -15.820 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.384 8.385 -17.009 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.419 9.966 -17.360 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.350 8.813 -16.425 1.00 0.00 H new ATOM 628 N ILE A 41 5.896 9.620 -13.863 1.00 0.00 N ATOM 629 CA ILE A 41 4.998 9.078 -12.803 1.00 0.00 C ATOM 630 C ILE A 41 4.183 7.912 -13.365 1.00 0.00 C ATOM 631 O ILE A 41 3.812 7.899 -14.523 1.00 0.00 O ATOM 632 CB ILE A 41 4.051 10.181 -12.324 1.00 0.00 C ATOM 633 CG1 ILE A 41 4.794 11.519 -12.303 1.00 0.00 C ATOM 634 CG2 ILE A 41 3.551 9.853 -10.915 1.00 0.00 C ATOM 635 CD1 ILE A 41 6.110 11.366 -11.536 1.00 0.00 C ATOM 0 H ILE A 41 5.590 10.497 -14.286 1.00 0.00 H new ATOM 0 HA ILE A 41 5.599 8.726 -11.965 1.00 0.00 H new ATOM 0 HB ILE A 41 3.201 10.247 -13.003 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.992 11.852 -13.322 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.174 12.283 -11.833 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.877 10.640 -10.576 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.020 8.901 -10.930 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.400 9.784 -10.235 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.637 12.320 -11.523 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.901 11.053 -10.513 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.731 10.616 -12.025 1.00 0.00 H new ATOM 647 N GLU A 42 3.901 6.932 -12.551 1.00 0.00 N ATOM 648 CA GLU A 42 3.109 5.763 -13.032 1.00 0.00 C ATOM 649 C GLU A 42 1.905 5.550 -12.112 1.00 0.00 C ATOM 650 O GLU A 42 2.006 5.663 -10.907 1.00 0.00 O ATOM 651 CB GLU A 42 3.990 4.512 -13.017 1.00 0.00 C ATOM 652 CG GLU A 42 3.374 3.439 -13.918 1.00 0.00 C ATOM 653 CD GLU A 42 4.298 2.221 -13.964 1.00 0.00 C ATOM 654 OE1 GLU A 42 5.221 2.171 -13.167 1.00 0.00 O ATOM 655 OE2 GLU A 42 4.068 1.358 -14.795 1.00 0.00 O ATOM 0 H GLU A 42 4.185 6.890 -11.572 1.00 0.00 H new ATOM 0 HA GLU A 42 2.761 5.951 -14.048 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.994 4.758 -13.362 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.086 4.135 -11.999 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.393 3.151 -13.540 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.225 3.834 -14.923 1.00 0.00 H new ATOM 662 N HIS A 43 0.767 5.240 -12.670 1.00 0.00 N ATOM 663 CA HIS A 43 -0.442 5.015 -11.826 1.00 0.00 C ATOM 664 C HIS A 43 -1.172 3.761 -12.308 1.00 0.00 C ATOM 665 O HIS A 43 -1.398 3.577 -13.488 1.00 0.00 O ATOM 666 CB HIS A 43 -1.376 6.223 -11.939 1.00 0.00 C ATOM 667 CG HIS A 43 -0.564 7.489 -11.918 1.00 0.00 C ATOM 668 ND1 HIS A 43 -0.450 8.276 -10.780 1.00 0.00 N ATOM 669 CD2 HIS A 43 0.179 8.119 -12.886 1.00 0.00 C ATOM 670 CE1 HIS A 43 0.334 9.324 -11.090 1.00 0.00 C ATOM 671 NE2 HIS A 43 0.742 9.275 -12.359 1.00 0.00 N ATOM 0 H HIS A 43 0.621 5.133 -13.674 1.00 0.00 H new ATOM 0 HA HIS A 43 -0.141 4.885 -10.787 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.954 6.164 -12.861 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -2.090 6.223 -11.115 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -0.882 8.093 -9.874 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.306 7.770 -13.900 1.00 0.00 H new ATOM 0 HE1 HIS A 43 0.600 10.108 -10.397 1.00 0.00 H new ATOM 679 N HIS A 44 -1.541 2.892 -11.406 1.00 0.00 N ATOM 680 CA HIS A 44 -2.253 1.650 -11.818 1.00 0.00 C ATOM 681 C HIS A 44 -3.752 1.807 -11.554 1.00 0.00 C ATOM 682 O HIS A 44 -4.168 2.208 -10.485 1.00 0.00 O ATOM 683 CB HIS A 44 -1.717 0.461 -11.017 1.00 0.00 C ATOM 684 CG HIS A 44 -0.248 0.291 -11.294 1.00 0.00 C ATOM 685 ND1 HIS A 44 0.727 0.913 -10.527 1.00 0.00 N ATOM 686 CD2 HIS A 44 0.428 -0.433 -12.246 1.00 0.00 C ATOM 687 CE1 HIS A 44 1.926 0.557 -11.026 1.00 0.00 C ATOM 688 NE2 HIS A 44 1.798 -0.261 -12.073 1.00 0.00 N ATOM 0 H HIS A 44 -1.380 2.989 -10.403 1.00 0.00 H new ATOM 0 HA HIS A 44 -2.087 1.476 -12.881 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -1.881 0.623 -9.952 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -2.256 -0.447 -11.288 1.00 0.00 H new ATOM 0 HD1 HIS A 44 0.565 1.528 -9.730 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -0.033 -1.041 -13.010 1.00 0.00 H new ATOM 0 HE1 HIS A 44 2.873 0.892 -10.629 1.00 0.00 H new ATOM 696 N LEU A 45 -4.569 1.490 -12.523 1.00 0.00 N ATOM 697 CA LEU A 45 -6.041 1.615 -12.333 1.00 0.00 C ATOM 698 C LEU A 45 -6.731 0.387 -12.930 1.00 0.00 C ATOM 699 O LEU A 45 -6.439 -0.021 -14.037 1.00 0.00 O ATOM 700 CB LEU A 45 -6.545 2.876 -13.040 1.00 0.00 C ATOM 701 CG LEU A 45 -6.101 4.114 -12.260 1.00 0.00 C ATOM 702 CD1 LEU A 45 -4.922 4.774 -12.978 1.00 0.00 C ATOM 703 CD2 LEU A 45 -7.263 5.104 -12.175 1.00 0.00 C ATOM 0 H LEU A 45 -4.278 1.149 -13.439 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.267 1.683 -11.269 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.155 2.915 -14.057 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.632 2.852 -13.116 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.797 3.821 -11.255 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.605 5.657 -12.422 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.094 4.069 -13.041 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.226 5.068 -13.983 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.948 5.987 -11.619 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.566 5.397 -13.180 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.104 4.635 -11.665 1.00 0.00 H new ATOM 715 N PHE A 46 -7.639 -0.210 -12.209 1.00 0.00 N ATOM 716 CA PHE A 46 -8.336 -1.413 -12.744 1.00 0.00 C ATOM 717 C PHE A 46 -9.850 -1.220 -12.654 1.00 0.00 C ATOM 718 O PHE A 46 -10.338 -0.402 -11.903 1.00 0.00 O ATOM 719 CB PHE A 46 -7.927 -2.643 -11.930 1.00 0.00 C ATOM 720 CG PHE A 46 -7.212 -2.201 -10.675 1.00 0.00 C ATOM 721 CD1 PHE A 46 -5.967 -1.569 -10.766 1.00 0.00 C ATOM 722 CD2 PHE A 46 -7.794 -2.425 -9.421 1.00 0.00 C ATOM 723 CE1 PHE A 46 -5.304 -1.158 -9.604 1.00 0.00 C ATOM 724 CE2 PHE A 46 -7.130 -2.015 -8.258 1.00 0.00 C ATOM 725 CZ PHE A 46 -5.885 -1.382 -8.350 1.00 0.00 C ATOM 0 H PHE A 46 -7.928 0.082 -11.275 1.00 0.00 H new ATOM 0 HA PHE A 46 -8.056 -1.556 -13.788 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -8.808 -3.231 -11.672 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -7.278 -3.286 -12.524 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.518 -1.398 -11.733 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -8.755 -2.914 -9.351 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.344 -0.668 -9.675 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -7.578 -2.187 -7.291 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.372 -1.066 -7.453 1.00 0.00 H new ATOM 735 N ALA A 47 -10.595 -1.970 -13.420 1.00 0.00 N ATOM 736 CA ALA A 47 -12.077 -1.828 -13.382 1.00 0.00 C ATOM 737 C ALA A 47 -12.727 -3.211 -13.459 1.00 0.00 C ATOM 738 O ALA A 47 -12.059 -4.217 -13.588 1.00 0.00 O ATOM 739 CB ALA A 47 -12.539 -0.983 -14.571 1.00 0.00 C ATOM 0 H ALA A 47 -10.242 -2.673 -14.069 1.00 0.00 H new ATOM 0 HA ALA A 47 -12.370 -1.341 -12.452 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -13.624 -0.879 -14.544 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -12.078 0.003 -14.517 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -12.245 -1.471 -15.500 1.00 0.00 H new ATOM 745 N GLU A 48 -14.029 -3.268 -13.381 1.00 0.00 N ATOM 746 CA GLU A 48 -14.724 -4.584 -13.450 1.00 0.00 C ATOM 747 C GLU A 48 -15.554 -4.652 -14.733 1.00 0.00 C ATOM 748 O GLU A 48 -15.999 -5.707 -15.142 1.00 0.00 O ATOM 749 CB GLU A 48 -15.643 -4.739 -12.237 1.00 0.00 C ATOM 750 CG GLU A 48 -14.798 -4.938 -10.978 1.00 0.00 C ATOM 751 CD GLU A 48 -14.185 -6.339 -10.991 1.00 0.00 C ATOM 752 OE1 GLU A 48 -14.941 -7.295 -11.058 1.00 0.00 O ATOM 753 OE2 GLU A 48 -12.970 -6.433 -10.934 1.00 0.00 O ATOM 0 H GLU A 48 -14.641 -2.459 -13.272 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.987 -5.387 -13.451 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -16.272 -3.856 -12.129 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -16.309 -5.590 -12.379 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -14.011 -4.185 -10.933 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -15.415 -4.808 -10.089 1.00 0.00 H new ATOM 760 N ASP A 49 -15.766 -3.535 -15.373 1.00 0.00 N ATOM 761 CA ASP A 49 -16.564 -3.534 -16.630 1.00 0.00 C ATOM 762 C ASP A 49 -15.641 -3.249 -17.815 1.00 0.00 C ATOM 763 O ASP A 49 -15.010 -2.214 -17.886 1.00 0.00 O ATOM 764 CB ASP A 49 -17.644 -2.450 -16.548 1.00 0.00 C ATOM 765 CG ASP A 49 -19.028 -3.092 -16.669 1.00 0.00 C ATOM 766 OD1 ASP A 49 -19.246 -3.804 -17.635 1.00 0.00 O ATOM 767 OD2 ASP A 49 -19.845 -2.862 -15.793 1.00 0.00 O ATOM 0 H ASP A 49 -15.420 -2.622 -15.079 1.00 0.00 H new ATOM 0 HA ASP A 49 -17.038 -4.507 -16.764 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -17.563 -1.913 -15.603 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -17.501 -1.719 -17.344 1.00 0.00 H new ATOM 772 N PHE A 50 -15.555 -4.158 -18.746 1.00 0.00 N ATOM 773 CA PHE A 50 -14.671 -3.936 -19.923 1.00 0.00 C ATOM 774 C PHE A 50 -15.005 -2.586 -20.564 1.00 0.00 C ATOM 775 O PHE A 50 -14.130 -1.838 -20.952 1.00 0.00 O ATOM 776 CB PHE A 50 -14.891 -5.056 -20.943 1.00 0.00 C ATOM 777 CG PHE A 50 -15.624 -6.198 -20.283 1.00 0.00 C ATOM 778 CD1 PHE A 50 -17.021 -6.169 -20.181 1.00 0.00 C ATOM 779 CD2 PHE A 50 -14.909 -7.287 -19.770 1.00 0.00 C ATOM 780 CE1 PHE A 50 -17.701 -7.228 -19.570 1.00 0.00 C ATOM 781 CE2 PHE A 50 -15.589 -8.347 -19.158 1.00 0.00 C ATOM 782 CZ PHE A 50 -16.985 -8.317 -19.058 1.00 0.00 C ATOM 0 H PHE A 50 -16.059 -5.045 -18.742 1.00 0.00 H new ATOM 0 HA PHE A 50 -13.629 -3.937 -19.602 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -15.465 -4.683 -21.791 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -13.933 -5.401 -21.333 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -17.573 -5.328 -20.574 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -13.832 -7.309 -19.846 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -18.778 -7.206 -19.493 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -15.037 -9.187 -18.763 1.00 0.00 H new ATOM 0 HZ PHE A 50 -17.510 -9.134 -18.586 1.00 0.00 H new ATOM 792 N ASP A 51 -16.267 -2.268 -20.674 1.00 0.00 N ATOM 793 CA ASP A 51 -16.656 -0.967 -21.288 1.00 0.00 C ATOM 794 C ASP A 51 -16.297 0.174 -20.336 1.00 0.00 C ATOM 795 O ASP A 51 -15.509 1.041 -20.659 1.00 0.00 O ATOM 796 CB ASP A 51 -18.165 -0.957 -21.547 1.00 0.00 C ATOM 797 CG ASP A 51 -18.604 0.451 -21.952 1.00 0.00 C ATOM 798 OD1 ASP A 51 -17.739 1.298 -22.104 1.00 0.00 O ATOM 799 OD2 ASP A 51 -19.796 0.657 -22.105 1.00 0.00 O ATOM 0 H ASP A 51 -17.044 -2.852 -20.365 1.00 0.00 H new ATOM 0 HA ASP A 51 -16.123 -0.836 -22.230 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -18.414 -1.668 -22.335 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -18.700 -1.273 -20.652 1.00 0.00 H new ATOM 804 N LYS A 52 -16.864 0.180 -19.160 1.00 0.00 N ATOM 805 CA LYS A 52 -16.550 1.264 -18.188 1.00 0.00 C ATOM 806 C LYS A 52 -15.036 1.477 -18.148 1.00 0.00 C ATOM 807 O LYS A 52 -14.556 2.576 -17.949 1.00 0.00 O ATOM 808 CB LYS A 52 -17.044 0.863 -16.798 1.00 0.00 C ATOM 809 CG LYS A 52 -17.010 2.082 -15.874 1.00 0.00 C ATOM 810 CD LYS A 52 -18.372 2.781 -15.902 1.00 0.00 C ATOM 811 CE LYS A 52 -19.407 1.911 -15.187 1.00 0.00 C ATOM 812 NZ LYS A 52 -20.289 1.254 -16.194 1.00 0.00 N ATOM 0 H LYS A 52 -17.530 -0.519 -18.831 1.00 0.00 H new ATOM 0 HA LYS A 52 -17.044 2.186 -18.494 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -18.058 0.469 -16.860 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -16.417 0.068 -16.393 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -16.768 1.774 -14.857 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -16.229 2.772 -16.193 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -18.303 3.755 -15.417 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -18.680 2.959 -16.932 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -18.906 1.157 -14.580 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -20.004 2.521 -14.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -21.250 1.645 -16.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -19.916 1.429 -17.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -20.317 0.230 -16.015 1.00 0.00 H new ATOM 826 N LEU A 53 -14.284 0.431 -18.338 1.00 0.00 N ATOM 827 CA LEU A 53 -12.802 0.560 -18.313 1.00 0.00 C ATOM 828 C LEU A 53 -12.351 1.457 -19.467 1.00 0.00 C ATOM 829 O LEU A 53 -11.863 2.551 -19.262 1.00 0.00 O ATOM 830 CB LEU A 53 -12.175 -0.827 -18.470 1.00 0.00 C ATOM 831 CG LEU A 53 -10.696 -0.775 -18.082 1.00 0.00 C ATOM 832 CD1 LEU A 53 -10.312 -2.082 -17.389 1.00 0.00 C ATOM 833 CD2 LEU A 53 -9.848 -0.598 -19.343 1.00 0.00 C ATOM 0 H LEU A 53 -14.633 -0.512 -18.510 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.486 1.000 -17.367 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -12.700 -1.547 -17.842 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -12.278 -1.168 -19.500 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.522 0.062 -17.406 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.259 -2.050 -17.110 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.920 -2.212 -16.494 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.483 -2.918 -18.068 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.793 -0.561 -19.070 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -10.019 -1.437 -20.017 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.127 0.330 -19.842 1.00 0.00 H new ATOM 845 N GLU A 54 -12.513 1.005 -20.680 1.00 0.00 N ATOM 846 CA GLU A 54 -12.095 1.837 -21.844 1.00 0.00 C ATOM 847 C GLU A 54 -12.706 3.232 -21.712 1.00 0.00 C ATOM 848 O GLU A 54 -12.212 4.194 -22.267 1.00 0.00 O ATOM 849 CB GLU A 54 -12.581 1.184 -23.139 1.00 0.00 C ATOM 850 CG GLU A 54 -12.040 -0.245 -23.224 1.00 0.00 C ATOM 851 CD GLU A 54 -13.087 -1.150 -23.876 1.00 0.00 C ATOM 852 OE1 GLU A 54 -13.746 -0.693 -24.796 1.00 0.00 O ATOM 853 OE2 GLU A 54 -13.210 -2.285 -23.446 1.00 0.00 O ATOM 0 H GLU A 54 -12.916 0.098 -20.915 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.008 1.916 -21.866 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -13.671 1.174 -23.167 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.245 1.763 -23.999 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.117 -0.262 -23.804 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.796 -0.613 -22.227 1.00 0.00 H new ATOM 860 N LYS A 55 -13.777 3.350 -20.976 1.00 0.00 N ATOM 861 CA LYS A 55 -14.422 4.682 -20.802 1.00 0.00 C ATOM 862 C LYS A 55 -13.534 5.564 -19.921 1.00 0.00 C ATOM 863 O LYS A 55 -13.084 6.616 -20.331 1.00 0.00 O ATOM 864 CB LYS A 55 -15.787 4.503 -20.134 1.00 0.00 C ATOM 865 CG LYS A 55 -16.828 5.362 -20.855 1.00 0.00 C ATOM 866 CD LYS A 55 -18.117 5.397 -20.032 1.00 0.00 C ATOM 867 CE LYS A 55 -19.164 4.493 -20.684 1.00 0.00 C ATOM 868 NZ LYS A 55 -19.704 5.157 -21.904 1.00 0.00 N ATOM 0 H LYS A 55 -14.234 2.580 -20.487 1.00 0.00 H new ATOM 0 HA LYS A 55 -14.554 5.154 -21.775 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -16.083 3.454 -20.163 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -15.729 4.789 -19.084 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -16.446 6.373 -20.996 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -17.028 4.955 -21.846 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -17.919 5.066 -19.013 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -18.492 6.418 -19.968 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -18.719 3.533 -20.946 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -19.971 4.288 -19.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -20.595 4.699 -22.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -19.879 6.162 -21.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -19.015 5.073 -22.679 1.00 0.00 H new ATOM 882 N ALA A 56 -13.278 5.143 -18.713 1.00 0.00 N ATOM 883 CA ALA A 56 -12.419 5.955 -17.805 1.00 0.00 C ATOM 884 C ALA A 56 -11.006 6.046 -18.386 1.00 0.00 C ATOM 885 O ALA A 56 -10.322 7.037 -18.225 1.00 0.00 O ATOM 886 CB ALA A 56 -12.361 5.289 -16.429 1.00 0.00 C ATOM 0 H ALA A 56 -13.627 4.271 -18.315 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.838 6.957 -17.708 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.733 5.882 -15.764 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -13.367 5.222 -16.014 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -11.942 4.288 -16.527 1.00 0.00 H new ATOM 892 N ALA A 57 -10.565 5.020 -19.060 1.00 0.00 N ATOM 893 CA ALA A 57 -9.197 5.050 -19.651 1.00 0.00 C ATOM 894 C ALA A 57 -9.148 6.092 -20.770 1.00 0.00 C ATOM 895 O ALA A 57 -8.142 6.738 -20.987 1.00 0.00 O ATOM 896 CB ALA A 57 -8.858 3.671 -20.221 1.00 0.00 C ATOM 0 H ALA A 57 -11.092 4.163 -19.227 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.473 5.312 -18.880 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.858 3.692 -20.653 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.893 2.929 -19.423 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -9.582 3.408 -20.993 1.00 0.00 H new ATOM 902 N VAL A 58 -10.228 6.262 -21.483 1.00 0.00 N ATOM 903 CA VAL A 58 -10.243 7.263 -22.587 1.00 0.00 C ATOM 904 C VAL A 58 -10.169 8.671 -21.993 1.00 0.00 C ATOM 905 O VAL A 58 -9.328 9.466 -22.363 1.00 0.00 O ATOM 906 CB VAL A 58 -11.535 7.107 -23.396 1.00 0.00 C ATOM 907 CG1 VAL A 58 -11.937 8.457 -23.996 1.00 0.00 C ATOM 908 CG2 VAL A 58 -11.306 6.100 -24.525 1.00 0.00 C ATOM 0 H VAL A 58 -11.100 5.751 -21.349 1.00 0.00 H new ATOM 0 HA VAL A 58 -9.387 7.103 -23.243 1.00 0.00 H new ATOM 0 HB VAL A 58 -12.330 6.753 -22.740 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -12.856 8.341 -24.570 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -12.099 9.178 -23.194 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -11.143 8.815 -24.651 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -12.223 5.986 -25.103 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -10.509 6.459 -25.176 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -11.022 5.137 -24.101 1.00 0.00 H new ATOM 918 N GLU A 59 -11.040 8.988 -21.075 1.00 0.00 N ATOM 919 CA GLU A 59 -11.014 10.345 -20.461 1.00 0.00 C ATOM 920 C GLU A 59 -9.605 10.640 -19.945 1.00 0.00 C ATOM 921 O GLU A 59 -8.992 11.623 -20.311 1.00 0.00 O ATOM 922 CB GLU A 59 -12.005 10.394 -19.295 1.00 0.00 C ATOM 923 CG GLU A 59 -12.361 11.850 -18.987 1.00 0.00 C ATOM 924 CD GLU A 59 -13.446 12.325 -19.955 1.00 0.00 C ATOM 925 OE1 GLU A 59 -14.424 11.613 -20.111 1.00 0.00 O ATOM 926 OE2 GLU A 59 -13.281 13.392 -20.521 1.00 0.00 O ATOM 0 H GLU A 59 -11.768 8.366 -20.724 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.293 11.090 -21.207 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.906 9.834 -19.546 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.570 9.921 -18.414 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -12.711 11.940 -17.959 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.476 12.479 -19.079 1.00 0.00 H new ATOM 933 N ALA A 60 -9.085 9.795 -19.096 1.00 0.00 N ATOM 934 CA ALA A 60 -7.715 10.025 -18.558 1.00 0.00 C ATOM 935 C ALA A 60 -6.767 10.373 -19.708 1.00 0.00 C ATOM 936 O ALA A 60 -6.160 11.426 -19.729 1.00 0.00 O ATOM 937 CB ALA A 60 -7.227 8.754 -17.857 1.00 0.00 C ATOM 0 H ALA A 60 -9.551 8.955 -18.752 1.00 0.00 H new ATOM 0 HA ALA A 60 -7.735 10.849 -17.845 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.225 8.918 -17.462 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.904 8.507 -17.039 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.205 7.930 -18.571 1.00 0.00 H new ATOM 943 N PHE A 61 -6.635 9.496 -20.665 1.00 0.00 N ATOM 944 CA PHE A 61 -5.727 9.773 -21.814 1.00 0.00 C ATOM 945 C PHE A 61 -6.138 11.085 -22.490 1.00 0.00 C ATOM 946 O PHE A 61 -5.335 11.755 -23.107 1.00 0.00 O ATOM 947 CB PHE A 61 -5.820 8.622 -22.822 1.00 0.00 C ATOM 948 CG PHE A 61 -5.492 9.129 -24.207 1.00 0.00 C ATOM 949 CD1 PHE A 61 -4.202 9.585 -24.502 1.00 0.00 C ATOM 950 CD2 PHE A 61 -6.482 9.142 -25.198 1.00 0.00 C ATOM 951 CE1 PHE A 61 -3.900 10.053 -25.785 1.00 0.00 C ATOM 952 CE2 PHE A 61 -6.180 9.610 -26.482 1.00 0.00 C ATOM 953 CZ PHE A 61 -4.890 10.066 -26.777 1.00 0.00 C ATOM 0 H PHE A 61 -7.118 8.598 -20.701 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.701 9.861 -21.456 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.130 7.825 -22.543 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.823 8.195 -22.809 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.439 9.575 -23.738 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -7.478 8.791 -24.971 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.904 10.404 -26.011 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -6.943 9.619 -27.246 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.658 10.427 -27.768 1.00 0.00 H new ATOM 963 N LYS A 62 -7.385 11.454 -22.381 1.00 0.00 N ATOM 964 CA LYS A 62 -7.847 12.720 -23.021 1.00 0.00 C ATOM 965 C LYS A 62 -7.197 13.912 -22.316 1.00 0.00 C ATOM 966 O LYS A 62 -6.796 14.873 -22.943 1.00 0.00 O ATOM 967 CB LYS A 62 -9.369 12.826 -22.906 1.00 0.00 C ATOM 968 CG LYS A 62 -9.940 13.413 -24.200 1.00 0.00 C ATOM 969 CD LYS A 62 -11.469 13.330 -24.169 1.00 0.00 C ATOM 970 CE LYS A 62 -11.912 11.882 -24.394 1.00 0.00 C ATOM 971 NZ LYS A 62 -13.021 11.851 -25.390 1.00 0.00 N ATOM 0 H LYS A 62 -8.104 10.935 -21.877 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.563 12.720 -24.073 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.800 11.842 -22.720 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.637 13.457 -22.059 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.624 14.450 -24.312 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.553 12.868 -25.061 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -11.843 13.690 -23.211 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.893 13.974 -24.939 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -11.073 11.285 -24.750 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -12.241 11.441 -23.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -13.322 10.868 -25.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -13.824 12.408 -25.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -12.691 12.256 -26.289 1.00 0.00 H new ATOM 985 N MET A 63 -7.091 13.860 -21.017 1.00 0.00 N ATOM 986 CA MET A 63 -6.468 14.992 -20.275 1.00 0.00 C ATOM 987 C MET A 63 -4.987 15.086 -20.642 1.00 0.00 C ATOM 988 O MET A 63 -4.512 16.111 -21.090 1.00 0.00 O ATOM 989 CB MET A 63 -6.605 14.751 -18.770 1.00 0.00 C ATOM 990 CG MET A 63 -8.055 14.989 -18.344 1.00 0.00 C ATOM 991 SD MET A 63 -8.117 15.299 -16.562 1.00 0.00 S ATOM 992 CE MET A 63 -9.161 13.887 -16.123 1.00 0.00 C ATOM 0 H MET A 63 -7.409 13.083 -20.437 1.00 0.00 H new ATOM 0 HA MET A 63 -6.969 15.922 -20.542 1.00 0.00 H new ATOM 0 HB2 MET A 63 -6.306 13.732 -18.526 1.00 0.00 H new ATOM 0 HB3 MET A 63 -5.940 15.418 -18.222 1.00 0.00 H new ATOM 0 HG2 MET A 63 -8.470 15.839 -18.886 1.00 0.00 H new ATOM 0 HG3 MET A 63 -8.666 14.122 -18.595 1.00 0.00 H new ATOM 0 HE1 MET A 63 -9.332 13.881 -15.046 1.00 0.00 H new ATOM 0 HE2 MET A 63 -10.117 13.966 -16.642 1.00 0.00 H new ATOM 0 HE3 MET A 63 -8.664 12.962 -16.416 1.00 0.00 H new ATOM 1002 N GLY A 64 -4.252 14.024 -20.457 1.00 0.00 N ATOM 1003 CA GLY A 64 -2.801 14.053 -20.797 1.00 0.00 C ATOM 1004 C GLY A 64 -2.073 12.952 -20.023 1.00 0.00 C ATOM 1005 O GLY A 64 -1.060 13.188 -19.395 1.00 0.00 O ATOM 0 H GLY A 64 -4.593 13.138 -20.085 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.665 13.909 -21.869 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.378 15.027 -20.550 1.00 0.00 H new ATOM 1009 N PHE A 65 -2.580 11.751 -20.061 1.00 0.00 N ATOM 1010 CA PHE A 65 -1.916 10.637 -19.327 1.00 0.00 C ATOM 1011 C PHE A 65 -1.601 9.500 -20.300 1.00 0.00 C ATOM 1012 O PHE A 65 -2.435 9.088 -21.081 1.00 0.00 O ATOM 1013 CB PHE A 65 -2.849 10.122 -18.228 1.00 0.00 C ATOM 1014 CG PHE A 65 -2.783 11.047 -17.036 1.00 0.00 C ATOM 1015 CD1 PHE A 65 -3.500 12.250 -17.044 1.00 0.00 C ATOM 1016 CD2 PHE A 65 -2.008 10.701 -15.923 1.00 0.00 C ATOM 1017 CE1 PHE A 65 -3.441 13.106 -15.938 1.00 0.00 C ATOM 1018 CE2 PHE A 65 -1.949 11.557 -14.818 1.00 0.00 C ATOM 1019 CZ PHE A 65 -2.666 12.760 -14.825 1.00 0.00 C ATOM 0 H PHE A 65 -3.426 11.492 -20.569 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.991 10.999 -18.879 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.871 10.065 -18.601 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -2.560 9.113 -17.935 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.098 12.517 -17.903 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -1.455 9.773 -15.917 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.994 14.034 -15.943 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.351 11.290 -13.960 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.621 13.421 -13.972 1.00 0.00 H new ATOM 1029 N GLU A 66 -0.401 8.989 -20.260 1.00 0.00 N ATOM 1030 CA GLU A 66 -0.034 7.879 -21.183 1.00 0.00 C ATOM 1031 C GLU A 66 -0.731 6.592 -20.736 1.00 0.00 C ATOM 1032 O GLU A 66 -0.131 5.731 -20.123 1.00 0.00 O ATOM 1033 CB GLU A 66 1.483 7.674 -21.156 1.00 0.00 C ATOM 1034 CG GLU A 66 2.122 8.440 -22.317 1.00 0.00 C ATOM 1035 CD GLU A 66 1.917 7.661 -23.617 1.00 0.00 C ATOM 1036 OE1 GLU A 66 0.785 7.308 -23.901 1.00 0.00 O ATOM 1037 OE2 GLU A 66 2.897 7.430 -24.306 1.00 0.00 O ATOM 0 H GLU A 66 0.340 9.292 -19.628 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.349 8.129 -22.196 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.891 8.023 -20.208 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.719 6.613 -21.233 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.677 9.432 -22.401 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.186 8.583 -22.130 1.00 0.00 H new ATOM 1044 N VAL A 67 -1.993 6.454 -21.037 1.00 0.00 N ATOM 1045 CA VAL A 67 -2.727 5.223 -20.630 1.00 0.00 C ATOM 1046 C VAL A 67 -2.026 3.994 -21.214 1.00 0.00 C ATOM 1047 O VAL A 67 -1.571 4.005 -22.341 1.00 0.00 O ATOM 1048 CB VAL A 67 -4.162 5.288 -21.152 1.00 0.00 C ATOM 1049 CG1 VAL A 67 -4.168 5.057 -22.664 1.00 0.00 C ATOM 1050 CG2 VAL A 67 -5.000 4.206 -20.468 1.00 0.00 C ATOM 0 H VAL A 67 -2.548 7.141 -21.548 1.00 0.00 H new ATOM 0 HA VAL A 67 -2.740 5.151 -19.542 1.00 0.00 H new ATOM 0 HB VAL A 67 -4.584 6.269 -20.934 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.192 5.104 -23.035 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.570 5.826 -23.152 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.747 4.076 -22.884 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.024 4.250 -20.839 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.577 3.226 -20.687 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.997 4.370 -19.390 1.00 0.00 H new ATOM 1060 N LEU A 68 -1.936 2.935 -20.458 1.00 0.00 N ATOM 1061 CA LEU A 68 -1.266 1.707 -20.973 1.00 0.00 C ATOM 1062 C LEU A 68 -2.287 0.573 -21.079 1.00 0.00 C ATOM 1063 O LEU A 68 -3.148 0.421 -20.235 1.00 0.00 O ATOM 1064 CB LEU A 68 -0.149 1.295 -20.012 1.00 0.00 C ATOM 1065 CG LEU A 68 0.832 0.372 -20.735 1.00 0.00 C ATOM 1066 CD1 LEU A 68 2.018 1.190 -21.253 1.00 0.00 C ATOM 1067 CD2 LEU A 68 1.335 -0.697 -19.761 1.00 0.00 C ATOM 0 H LEU A 68 -2.297 2.866 -19.506 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.845 1.910 -21.958 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.372 2.179 -19.643 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.570 0.787 -19.144 1.00 0.00 H new ATOM 0 HG LEU A 68 0.329 -0.107 -21.575 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.717 0.531 -21.768 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.660 1.952 -21.945 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.523 1.670 -20.415 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.035 -1.357 -20.274 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.838 -0.217 -18.922 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.491 -1.280 -19.393 1.00 0.00 H new ATOM 1079 N GLU A 69 -2.200 -0.224 -22.108 1.00 0.00 N ATOM 1080 CA GLU A 69 -3.166 -1.347 -22.266 1.00 0.00 C ATOM 1081 C GLU A 69 -3.191 -2.182 -20.985 1.00 0.00 C ATOM 1082 O GLU A 69 -2.212 -2.269 -20.271 1.00 0.00 O ATOM 1083 CB GLU A 69 -2.738 -2.228 -23.442 1.00 0.00 C ATOM 1084 CG GLU A 69 -3.900 -3.135 -23.857 1.00 0.00 C ATOM 1085 CD GLU A 69 -3.772 -3.482 -25.341 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -3.275 -2.651 -26.083 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -4.173 -4.573 -25.710 1.00 0.00 O ATOM 0 H GLU A 69 -1.501 -0.146 -22.847 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.161 -0.946 -22.457 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.432 -1.605 -24.283 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.875 -2.832 -23.161 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.896 -4.046 -23.258 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.850 -2.635 -23.670 1.00 0.00 H new ATOM 1094 N ALA A 70 -4.303 -2.795 -20.688 1.00 0.00 N ATOM 1095 CA ALA A 70 -4.391 -3.621 -19.451 1.00 0.00 C ATOM 1096 C ALA A 70 -4.140 -5.090 -19.796 1.00 0.00 C ATOM 1097 O ALA A 70 -3.912 -5.443 -20.936 1.00 0.00 O ATOM 1098 CB ALA A 70 -5.783 -3.472 -18.836 1.00 0.00 C ATOM 0 H ALA A 70 -5.155 -2.760 -21.248 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.640 -3.284 -18.737 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.848 -4.076 -17.931 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.961 -2.426 -18.587 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.534 -3.808 -19.551 1.00 0.00 H new ATOM 1104 N GLU A 71 -4.181 -5.950 -18.814 1.00 0.00 N ATOM 1105 CA GLU A 71 -3.949 -7.397 -19.077 1.00 0.00 C ATOM 1106 C GLU A 71 -4.561 -8.221 -17.942 1.00 0.00 C ATOM 1107 O GLU A 71 -4.585 -7.799 -16.802 1.00 0.00 O ATOM 1108 CB GLU A 71 -2.443 -7.666 -19.149 1.00 0.00 C ATOM 1109 CG GLU A 71 -2.200 -9.130 -19.522 1.00 0.00 C ATOM 1110 CD GLU A 71 -0.911 -9.618 -18.858 1.00 0.00 C ATOM 1111 OE1 GLU A 71 -0.602 -9.133 -17.782 1.00 0.00 O ATOM 1112 OE2 GLU A 71 -0.256 -10.468 -19.436 1.00 0.00 O ATOM 0 H GLU A 71 -4.366 -5.711 -17.840 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.413 -7.677 -20.023 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.981 -7.011 -19.888 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.977 -7.443 -18.189 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -3.042 -9.743 -19.200 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.126 -9.233 -20.605 1.00 0.00 H new ATOM 1119 N GLU A 72 -5.058 -9.390 -18.242 1.00 0.00 N ATOM 1120 CA GLU A 72 -5.669 -10.235 -17.178 1.00 0.00 C ATOM 1121 C GLU A 72 -4.896 -10.046 -15.872 1.00 0.00 C ATOM 1122 O GLU A 72 -3.721 -10.342 -15.786 1.00 0.00 O ATOM 1123 CB GLU A 72 -5.611 -11.704 -17.600 1.00 0.00 C ATOM 1124 CG GLU A 72 -6.853 -12.047 -18.424 1.00 0.00 C ATOM 1125 CD GLU A 72 -6.799 -11.306 -19.762 1.00 0.00 C ATOM 1126 OE1 GLU A 72 -6.703 -10.090 -19.741 1.00 0.00 O ATOM 1127 OE2 GLU A 72 -6.853 -11.968 -20.786 1.00 0.00 O ATOM 0 H GLU A 72 -5.067 -9.796 -19.178 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.708 -9.941 -17.030 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -4.710 -11.890 -18.185 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -5.557 -12.345 -16.720 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.904 -13.122 -18.594 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.754 -11.767 -17.877 1.00 0.00 H new ATOM 1134 N THR A 73 -5.546 -9.550 -14.854 1.00 0.00 N ATOM 1135 CA THR A 73 -4.844 -9.336 -13.557 1.00 0.00 C ATOM 1136 C THR A 73 -5.482 -10.208 -12.473 1.00 0.00 C ATOM 1137 O THR A 73 -6.517 -10.812 -12.676 1.00 0.00 O ATOM 1138 CB THR A 73 -4.956 -7.861 -13.159 1.00 0.00 C ATOM 1139 OG1 THR A 73 -5.702 -7.163 -14.146 1.00 0.00 O ATOM 1140 CG2 THR A 73 -3.557 -7.252 -13.050 1.00 0.00 C ATOM 0 H THR A 73 -6.531 -9.284 -14.865 1.00 0.00 H new ATOM 0 HA THR A 73 -3.794 -9.609 -13.664 1.00 0.00 H new ATOM 0 HB THR A 73 -5.460 -7.781 -12.196 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.547 -7.632 -14.310 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.638 -6.203 -12.767 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.984 -7.789 -12.294 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.050 -7.330 -14.012 1.00 0.00 H new ATOM 1223 N LYS A 80 -9.202 -12.673 -12.398 1.00 0.00 N ATOM 1224 CA LYS A 80 -9.344 -12.350 -13.845 1.00 0.00 C ATOM 1225 C LYS A 80 -9.962 -10.957 -13.997 1.00 0.00 C ATOM 1226 O LYS A 80 -11.128 -10.817 -14.307 1.00 0.00 O ATOM 1227 CB LYS A 80 -10.251 -13.387 -14.512 1.00 0.00 C ATOM 1228 CG LYS A 80 -10.120 -13.281 -16.034 1.00 0.00 C ATOM 1229 CD LYS A 80 -11.442 -12.793 -16.630 1.00 0.00 C ATOM 1230 CE LYS A 80 -11.267 -12.548 -18.131 1.00 0.00 C ATOM 1231 NZ LYS A 80 -12.321 -13.289 -18.880 1.00 0.00 N ATOM 0 HA LYS A 80 -8.363 -12.367 -14.320 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -9.978 -14.389 -14.182 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -11.287 -13.224 -14.214 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -9.316 -12.592 -16.293 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -9.856 -14.251 -16.455 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.224 -13.533 -16.460 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -11.759 -11.875 -16.136 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -11.334 -11.482 -18.347 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -10.278 -12.877 -18.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -12.203 -13.123 -19.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -12.237 -14.307 -18.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -13.259 -12.955 -18.581 1.00 0.00 H new ATOM 1245 N LEU A 81 -9.191 -9.927 -13.780 1.00 0.00 N ATOM 1246 CA LEU A 81 -9.737 -8.548 -13.911 1.00 0.00 C ATOM 1247 C LEU A 81 -8.870 -7.741 -14.881 1.00 0.00 C ATOM 1248 O LEU A 81 -7.758 -8.118 -15.194 1.00 0.00 O ATOM 1249 CB LEU A 81 -9.738 -7.868 -12.540 1.00 0.00 C ATOM 1250 CG LEU A 81 -8.301 -7.756 -12.023 1.00 0.00 C ATOM 1251 CD1 LEU A 81 -8.014 -6.310 -11.615 1.00 0.00 C ATOM 1252 CD2 LEU A 81 -8.123 -8.670 -10.807 1.00 0.00 C ATOM 0 H LEU A 81 -8.207 -9.981 -13.518 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.756 -8.598 -14.294 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.187 -6.878 -12.614 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.344 -8.441 -11.839 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.610 -8.056 -12.811 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.991 -6.232 -11.247 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.140 -5.657 -12.478 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.706 -6.010 -10.828 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.100 -8.591 -10.439 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.816 -8.369 -10.021 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.326 -9.702 -11.094 1.00 0.00 H new ATOM 1264 N LEU A 82 -9.371 -6.635 -15.358 1.00 0.00 N ATOM 1265 CA LEU A 82 -8.575 -5.804 -16.308 1.00 0.00 C ATOM 1266 C LEU A 82 -7.842 -4.705 -15.536 1.00 0.00 C ATOM 1267 O LEU A 82 -8.421 -4.017 -14.716 1.00 0.00 O ATOM 1268 CB LEU A 82 -9.516 -5.166 -17.331 1.00 0.00 C ATOM 1269 CG LEU A 82 -9.955 -6.219 -18.349 1.00 0.00 C ATOM 1270 CD1 LEU A 82 -11.010 -7.131 -17.719 1.00 0.00 C ATOM 1271 CD2 LEU A 82 -10.553 -5.520 -19.573 1.00 0.00 C ATOM 0 H LEU A 82 -10.296 -6.270 -15.132 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.847 -6.433 -16.821 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -10.387 -4.747 -16.827 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.014 -4.342 -17.838 1.00 0.00 H new ATOM 0 HG LEU A 82 -9.094 -6.815 -18.651 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -11.323 -7.881 -18.445 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -10.588 -7.626 -16.845 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -11.872 -6.536 -17.418 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -10.867 -6.267 -20.301 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -11.414 -4.926 -19.268 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -9.804 -4.868 -20.022 1.00 0.00 H new ATOM 1283 N CYS A 83 -6.572 -4.535 -15.787 1.00 0.00 N ATOM 1284 CA CYS A 83 -5.804 -3.484 -15.062 1.00 0.00 C ATOM 1285 C CYS A 83 -4.945 -2.687 -16.047 1.00 0.00 C ATOM 1286 O CYS A 83 -3.955 -3.175 -16.556 1.00 0.00 O ATOM 1287 CB CYS A 83 -4.900 -4.144 -14.020 1.00 0.00 C ATOM 1288 SG CYS A 83 -3.849 -2.886 -13.251 1.00 0.00 S ATOM 0 H CYS A 83 -6.034 -5.078 -16.462 1.00 0.00 H new ATOM 0 HA CYS A 83 -6.503 -2.808 -14.570 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -5.504 -4.642 -13.262 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -4.284 -4.910 -14.490 1.00 0.00 H new ATOM 0 HG CYS A 83 -3.081 -3.445 -12.363 1.00 0.00 H new ATOM 1294 N PHE A 84 -5.308 -1.459 -16.312 1.00 0.00 N ATOM 1295 CA PHE A 84 -4.499 -0.635 -17.253 1.00 0.00 C ATOM 1296 C PHE A 84 -3.572 0.278 -16.446 1.00 0.00 C ATOM 1297 O PHE A 84 -3.729 0.433 -15.251 1.00 0.00 O ATOM 1298 CB PHE A 84 -5.421 0.214 -18.135 1.00 0.00 C ATOM 1299 CG PHE A 84 -6.539 0.802 -17.307 1.00 0.00 C ATOM 1300 CD1 PHE A 84 -7.513 -0.034 -16.750 1.00 0.00 C ATOM 1301 CD2 PHE A 84 -6.607 2.187 -17.106 1.00 0.00 C ATOM 1302 CE1 PHE A 84 -8.554 0.513 -15.989 1.00 0.00 C ATOM 1303 CE2 PHE A 84 -7.649 2.734 -16.347 1.00 0.00 C ATOM 1304 CZ PHE A 84 -8.622 1.897 -15.788 1.00 0.00 C ATOM 0 H PHE A 84 -6.126 -0.994 -15.919 1.00 0.00 H new ATOM 0 HA PHE A 84 -3.908 -1.290 -17.893 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.850 1.013 -18.608 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -5.835 -0.398 -18.936 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -7.462 -1.101 -16.907 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.856 2.833 -17.536 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -9.304 -0.133 -15.557 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -7.702 3.802 -16.193 1.00 0.00 H new ATOM 0 HZ PHE A 84 -9.425 2.319 -15.202 1.00 0.00 H new ATOM 1314 N ASP A 85 -2.603 0.875 -17.082 1.00 0.00 N ATOM 1315 CA ASP A 85 -1.668 1.765 -16.335 1.00 0.00 C ATOM 1316 C ASP A 85 -1.625 3.146 -16.993 1.00 0.00 C ATOM 1317 O ASP A 85 -1.872 3.291 -18.174 1.00 0.00 O ATOM 1318 CB ASP A 85 -0.267 1.150 -16.345 1.00 0.00 C ATOM 1319 CG ASP A 85 -0.380 -0.375 -16.298 1.00 0.00 C ATOM 1320 OD1 ASP A 85 -0.625 -0.897 -15.223 1.00 0.00 O ATOM 1321 OD2 ASP A 85 -0.223 -0.994 -17.337 1.00 0.00 O ATOM 0 H ASP A 85 -2.418 0.787 -18.081 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.015 1.871 -15.307 1.00 0.00 H new ATOM 0 HB2 ASP A 85 0.271 1.458 -17.242 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.306 1.510 -15.490 1.00 0.00 H new ATOM 1326 N ALA A 86 -1.309 4.160 -16.235 1.00 0.00 N ATOM 1327 CA ALA A 86 -1.246 5.533 -16.810 1.00 0.00 C ATOM 1328 C ALA A 86 0.106 6.163 -16.468 1.00 0.00 C ATOM 1329 O ALA A 86 0.626 5.988 -15.384 1.00 0.00 O ATOM 1330 CB ALA A 86 -2.371 6.387 -16.224 1.00 0.00 C ATOM 0 H ALA A 86 -1.091 4.096 -15.241 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.361 5.480 -17.893 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.323 7.391 -16.646 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.334 5.937 -16.467 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.259 6.443 -15.141 1.00 0.00 H new ATOM 1336 N THR A 87 0.681 6.893 -17.385 1.00 0.00 N ATOM 1337 CA THR A 87 2.000 7.530 -17.112 1.00 0.00 C ATOM 1338 C THR A 87 1.896 9.040 -17.344 1.00 0.00 C ATOM 1339 O THR A 87 1.004 9.513 -18.019 1.00 0.00 O ATOM 1340 CB THR A 87 3.054 6.939 -18.051 1.00 0.00 C ATOM 1341 OG1 THR A 87 2.414 6.143 -19.038 1.00 0.00 O ATOM 1342 CG2 THR A 87 4.029 6.075 -17.249 1.00 0.00 C ATOM 0 H THR A 87 0.294 7.075 -18.311 1.00 0.00 H new ATOM 0 HA THR A 87 2.288 7.342 -16.078 1.00 0.00 H new ATOM 0 HB THR A 87 3.603 7.747 -18.535 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.088 5.765 -19.641 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.779 5.655 -17.919 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.520 6.687 -16.493 1.00 0.00 H new ATOM 0 HG23 THR A 87 3.483 5.266 -16.763 1.00 0.00 H new ATOM 1350 N MET A 88 2.804 9.798 -16.792 1.00 0.00 N ATOM 1351 CA MET A 88 2.756 11.275 -16.983 1.00 0.00 C ATOM 1352 C MET A 88 4.143 11.869 -16.727 1.00 0.00 C ATOM 1353 O MET A 88 4.690 11.752 -15.649 1.00 0.00 O ATOM 1354 CB MET A 88 1.752 11.885 -16.003 1.00 0.00 C ATOM 1355 CG MET A 88 1.237 13.213 -16.560 1.00 0.00 C ATOM 1356 SD MET A 88 0.078 13.954 -15.383 1.00 0.00 S ATOM 1357 CE MET A 88 -0.733 15.082 -16.543 1.00 0.00 C ATOM 0 H MET A 88 3.576 9.459 -16.218 1.00 0.00 H new ATOM 0 HA MET A 88 2.448 11.498 -18.005 1.00 0.00 H new ATOM 0 HB2 MET A 88 0.920 11.199 -15.844 1.00 0.00 H new ATOM 0 HB3 MET A 88 2.225 12.044 -15.034 1.00 0.00 H new ATOM 0 HG2 MET A 88 2.071 13.891 -16.741 1.00 0.00 H new ATOM 0 HG3 MET A 88 0.744 13.051 -17.519 1.00 0.00 H new ATOM 0 HE1 MET A 88 -1.412 15.738 -15.998 1.00 0.00 H new ATOM 0 HE2 MET A 88 0.020 15.683 -17.053 1.00 0.00 H new ATOM 0 HE3 MET A 88 -1.296 14.506 -17.277 1.00 0.00 H new ATOM 1367 N GLN A 89 4.716 12.507 -17.712 1.00 0.00 N ATOM 1368 CA GLN A 89 6.066 13.110 -17.526 1.00 0.00 C ATOM 1369 C GLN A 89 5.945 14.367 -16.663 1.00 0.00 C ATOM 1370 O GLN A 89 5.140 15.237 -16.931 1.00 0.00 O ATOM 1371 CB GLN A 89 6.650 13.484 -18.890 1.00 0.00 C ATOM 1372 CG GLN A 89 7.409 12.288 -19.469 1.00 0.00 C ATOM 1373 CD GLN A 89 6.516 11.046 -19.419 1.00 0.00 C ATOM 1374 OE1 GLN A 89 6.878 10.047 -18.829 1.00 0.00 O ATOM 1375 NE2 GLN A 89 5.357 11.065 -20.019 1.00 0.00 N ATOM 0 H GLN A 89 4.307 12.636 -18.637 1.00 0.00 H new ATOM 0 HA GLN A 89 6.722 12.391 -17.035 1.00 0.00 H new ATOM 0 HB2 GLN A 89 5.852 13.784 -19.569 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.320 14.338 -18.788 1.00 0.00 H new ATOM 0 HG2 GLN A 89 7.706 12.495 -20.497 1.00 0.00 H new ATOM 0 HG3 GLN A 89 8.324 12.115 -18.902 1.00 0.00 H new ATOM 0 HE21 GLN A 89 5.053 11.903 -20.514 1.00 0.00 H new ATOM 0 HE22 GLN A 89 4.755 10.242 -19.993 1.00 0.00 H new ATOM 1384 N SER A 90 6.735 14.471 -15.631 1.00 0.00 N ATOM 1385 CA SER A 90 6.658 15.675 -14.757 1.00 0.00 C ATOM 1386 C SER A 90 7.879 15.724 -13.838 1.00 0.00 C ATOM 1387 O SER A 90 8.502 14.718 -13.561 1.00 0.00 O ATOM 1388 CB SER A 90 5.386 15.608 -13.910 1.00 0.00 C ATOM 1389 OG SER A 90 5.661 14.904 -12.706 1.00 0.00 O ATOM 0 H SER A 90 7.429 13.776 -15.355 1.00 0.00 H new ATOM 0 HA SER A 90 6.638 16.571 -15.378 1.00 0.00 H new ATOM 0 HB2 SER A 90 5.032 16.614 -13.684 1.00 0.00 H new ATOM 0 HB3 SER A 90 4.592 15.108 -14.464 1.00 0.00 H new ATOM 0 HG SER A 90 4.903 14.322 -12.487 1.00 0.00 H new ATOM 1395 N ALA A 91 8.225 16.888 -13.362 1.00 0.00 N ATOM 1396 CA ALA A 91 9.405 17.008 -12.461 1.00 0.00 C ATOM 1397 C ALA A 91 9.162 16.186 -11.192 1.00 0.00 C ATOM 1398 O ALA A 91 8.095 15.642 -10.989 1.00 0.00 O ATOM 1399 CB ALA A 91 9.608 18.476 -12.086 1.00 0.00 C ATOM 0 H ALA A 91 7.740 17.763 -13.559 1.00 0.00 H new ATOM 0 HA ALA A 91 10.294 16.635 -12.971 1.00 0.00 H new ATOM 0 HB1 ALA A 91 10.471 18.567 -11.426 1.00 0.00 H new ATOM 0 HB2 ALA A 91 9.778 19.062 -12.989 1.00 0.00 H new ATOM 0 HB3 ALA A 91 8.720 18.847 -11.575 1.00 0.00 H new ATOM 1405 N LEU A 92 10.143 16.095 -10.336 1.00 0.00 N ATOM 1406 CA LEU A 92 9.964 15.311 -9.081 1.00 0.00 C ATOM 1407 C LEU A 92 9.495 16.245 -7.964 1.00 0.00 C ATOM 1408 O LEU A 92 10.278 16.960 -7.370 1.00 0.00 O ATOM 1409 CB LEU A 92 11.296 14.671 -8.683 1.00 0.00 C ATOM 1410 CG LEU A 92 11.074 13.728 -7.499 1.00 0.00 C ATOM 1411 CD1 LEU A 92 10.939 12.292 -8.008 1.00 0.00 C ATOM 1412 CD2 LEU A 92 12.265 13.819 -6.544 1.00 0.00 C ATOM 0 H LEU A 92 11.059 16.529 -10.451 1.00 0.00 H new ATOM 0 HA LEU A 92 9.221 14.530 -9.242 1.00 0.00 H new ATOM 0 HB2 LEU A 92 11.714 14.121 -9.526 1.00 0.00 H new ATOM 0 HB3 LEU A 92 12.018 15.443 -8.417 1.00 0.00 H new ATOM 0 HG LEU A 92 10.163 14.015 -6.973 1.00 0.00 H new ATOM 0 HD11 LEU A 92 10.781 11.620 -7.164 1.00 0.00 H new ATOM 0 HD12 LEU A 92 10.090 12.226 -8.689 1.00 0.00 H new ATOM 0 HD13 LEU A 92 11.850 12.005 -8.534 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.107 13.147 -5.700 1.00 0.00 H new ATOM 0 HD22 LEU A 92 13.176 13.533 -7.070 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.362 14.842 -6.180 1.00 0.00 H new ATOM 1424 N ASP A 93 8.222 16.249 -7.674 1.00 0.00 N ATOM 1425 CA ASP A 93 7.709 17.141 -6.597 1.00 0.00 C ATOM 1426 C ASP A 93 6.556 16.451 -5.868 1.00 0.00 C ATOM 1427 O ASP A 93 5.698 15.842 -6.476 1.00 0.00 O ATOM 1428 CB ASP A 93 7.211 18.449 -7.215 1.00 0.00 C ATOM 1429 CG ASP A 93 8.396 19.389 -7.444 1.00 0.00 C ATOM 1430 OD1 ASP A 93 9.329 19.337 -6.659 1.00 0.00 O ATOM 1431 OD2 ASP A 93 8.350 20.147 -8.399 1.00 0.00 O ATOM 0 H ASP A 93 7.517 15.674 -8.136 1.00 0.00 H new ATOM 0 HA ASP A 93 8.510 17.354 -5.889 1.00 0.00 H new ATOM 0 HB2 ASP A 93 6.705 18.248 -8.159 1.00 0.00 H new ATOM 0 HB3 ASP A 93 6.481 18.920 -6.556 1.00 0.00 H new ATOM 1436 N ALA A 94 6.527 16.542 -4.565 1.00 0.00 N ATOM 1437 CA ALA A 94 5.426 15.892 -3.798 1.00 0.00 C ATOM 1438 C ALA A 94 4.112 16.619 -4.086 1.00 0.00 C ATOM 1439 O ALA A 94 3.069 16.008 -4.217 1.00 0.00 O ATOM 1440 CB ALA A 94 5.734 15.964 -2.301 1.00 0.00 C ATOM 0 H ALA A 94 7.217 17.037 -4.000 1.00 0.00 H new ATOM 0 HA ALA A 94 5.338 14.848 -4.098 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.929 15.489 -1.741 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.672 15.447 -2.097 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.821 17.007 -1.997 1.00 0.00 H new ATOM 1446 N LYS A 95 4.152 17.919 -4.189 1.00 0.00 N ATOM 1447 CA LYS A 95 2.904 18.682 -4.473 1.00 0.00 C ATOM 1448 C LYS A 95 2.342 18.243 -5.826 1.00 0.00 C ATOM 1449 O LYS A 95 1.166 17.962 -5.960 1.00 0.00 O ATOM 1450 CB LYS A 95 3.217 20.180 -4.513 1.00 0.00 C ATOM 1451 CG LYS A 95 3.785 20.623 -3.162 1.00 0.00 C ATOM 1452 CD LYS A 95 2.810 21.593 -2.488 1.00 0.00 C ATOM 1453 CE LYS A 95 3.483 22.227 -1.270 1.00 0.00 C ATOM 1454 NZ LYS A 95 4.877 22.620 -1.620 1.00 0.00 N ATOM 0 H LYS A 95 4.994 18.485 -4.089 1.00 0.00 H new ATOM 0 HA LYS A 95 2.171 18.487 -3.690 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.934 20.391 -5.307 1.00 0.00 H new ATOM 0 HB3 LYS A 95 2.313 20.745 -4.741 1.00 0.00 H new ATOM 0 HG2 LYS A 95 3.950 19.755 -2.523 1.00 0.00 H new ATOM 0 HG3 LYS A 95 4.753 21.104 -3.303 1.00 0.00 H new ATOM 0 HD2 LYS A 95 2.505 22.367 -3.192 1.00 0.00 H new ATOM 0 HD3 LYS A 95 1.906 21.065 -2.184 1.00 0.00 H new ATOM 0 HE2 LYS A 95 2.919 23.101 -0.943 1.00 0.00 H new ATOM 0 HE3 LYS A 95 3.490 21.523 -0.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 5.217 23.333 -0.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 5.494 21.783 -1.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 4.895 23.019 -2.580 1.00 0.00 H new ATOM 1468 N LEU A 96 3.173 18.178 -6.830 1.00 0.00 N ATOM 1469 CA LEU A 96 2.689 17.754 -8.174 1.00 0.00 C ATOM 1470 C LEU A 96 2.202 16.306 -8.100 1.00 0.00 C ATOM 1471 O LEU A 96 1.047 16.016 -8.335 1.00 0.00 O ATOM 1472 CB LEU A 96 3.833 17.858 -9.183 1.00 0.00 C ATOM 1473 CG LEU A 96 3.283 17.701 -10.601 1.00 0.00 C ATOM 1474 CD1 LEU A 96 3.947 18.727 -11.522 1.00 0.00 C ATOM 1475 CD2 LEU A 96 3.582 16.291 -11.111 1.00 0.00 C ATOM 0 H LEU A 96 4.167 18.400 -6.777 1.00 0.00 H new ATOM 0 HA LEU A 96 1.869 18.399 -8.489 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.335 18.820 -9.081 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.578 17.088 -8.984 1.00 0.00 H new ATOM 0 HG LEU A 96 2.205 17.863 -10.592 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.555 18.616 -12.533 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.735 19.733 -11.159 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.025 18.565 -11.530 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.190 16.179 -12.122 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.660 16.128 -11.120 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.110 15.559 -10.456 1.00 0.00 H new ATOM 1487 N ILE A 97 3.076 15.394 -7.771 1.00 0.00 N ATOM 1488 CA ILE A 97 2.662 13.967 -7.678 1.00 0.00 C ATOM 1489 C ILE A 97 1.349 13.874 -6.899 1.00 0.00 C ATOM 1490 O ILE A 97 0.461 13.123 -7.246 1.00 0.00 O ATOM 1491 CB ILE A 97 3.746 13.168 -6.954 1.00 0.00 C ATOM 1492 CG1 ILE A 97 4.976 13.050 -7.856 1.00 0.00 C ATOM 1493 CG2 ILE A 97 3.221 11.771 -6.626 1.00 0.00 C ATOM 1494 CD1 ILE A 97 6.221 12.817 -6.997 1.00 0.00 C ATOM 0 H ILE A 97 4.058 15.576 -7.563 1.00 0.00 H new ATOM 0 HA ILE A 97 2.522 13.559 -8.679 1.00 0.00 H new ATOM 0 HB ILE A 97 4.017 13.679 -6.030 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.847 12.227 -8.558 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.094 13.958 -8.447 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.995 11.203 -6.110 1.00 0.00 H new ATOM 0 HG22 ILE A 97 2.343 11.853 -5.985 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.949 11.258 -7.549 1.00 0.00 H new ATOM 0 HD11 ILE A 97 7.097 12.733 -7.641 1.00 0.00 H new ATOM 0 HD12 ILE A 97 6.353 13.655 -6.312 1.00 0.00 H new ATOM 0 HD13 ILE A 97 6.102 11.897 -6.425 1.00 0.00 H new ATOM 1506 N ASP A 98 1.220 14.636 -5.848 1.00 0.00 N ATOM 1507 CA ASP A 98 -0.036 14.595 -5.049 1.00 0.00 C ATOM 1508 C ASP A 98 -1.206 15.044 -5.926 1.00 0.00 C ATOM 1509 O ASP A 98 -2.312 14.557 -5.802 1.00 0.00 O ATOM 1510 CB ASP A 98 0.091 15.537 -3.849 1.00 0.00 C ATOM 1511 CG ASP A 98 1.156 15.002 -2.889 1.00 0.00 C ATOM 1512 OD1 ASP A 98 1.771 14.001 -3.217 1.00 0.00 O ATOM 1513 OD2 ASP A 98 1.340 15.605 -1.844 1.00 0.00 O ATOM 0 H ASP A 98 1.930 15.285 -5.508 1.00 0.00 H new ATOM 0 HA ASP A 98 -0.211 13.579 -4.695 1.00 0.00 H new ATOM 0 HB2 ASP A 98 0.360 16.538 -4.186 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -0.867 15.620 -3.336 1.00 0.00 H new ATOM 1518 N GLU A 99 -0.969 15.971 -6.814 1.00 0.00 N ATOM 1519 CA GLU A 99 -2.065 16.453 -7.702 1.00 0.00 C ATOM 1520 C GLU A 99 -2.489 15.328 -8.647 1.00 0.00 C ATOM 1521 O GLU A 99 -3.652 14.986 -8.739 1.00 0.00 O ATOM 1522 CB GLU A 99 -1.569 17.647 -8.518 1.00 0.00 C ATOM 1523 CG GLU A 99 -2.141 18.939 -7.930 1.00 0.00 C ATOM 1524 CD GLU A 99 -3.667 18.913 -8.031 1.00 0.00 C ATOM 1525 OE1 GLU A 99 -4.180 19.306 -9.065 1.00 0.00 O ATOM 1526 OE2 GLU A 99 -4.297 18.501 -7.071 1.00 0.00 O ATOM 0 H GLU A 99 -0.063 16.416 -6.963 1.00 0.00 H new ATOM 0 HA GLU A 99 -2.918 16.756 -7.096 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -0.480 17.681 -8.507 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -1.875 17.542 -9.559 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -1.836 19.043 -6.889 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -1.745 19.802 -8.466 1.00 0.00 H new ATOM 1533 N GLN A 100 -1.556 14.746 -9.351 1.00 0.00 N ATOM 1534 CA GLN A 100 -1.911 13.643 -10.287 1.00 0.00 C ATOM 1535 C GLN A 100 -2.765 12.610 -9.550 1.00 0.00 C ATOM 1536 O GLN A 100 -3.674 12.028 -10.108 1.00 0.00 O ATOM 1537 CB GLN A 100 -0.632 12.976 -10.802 1.00 0.00 C ATOM 1538 CG GLN A 100 0.211 14.004 -11.559 1.00 0.00 C ATOM 1539 CD GLN A 100 1.437 13.313 -12.161 1.00 0.00 C ATOM 1540 OE1 GLN A 100 1.922 12.336 -11.626 1.00 0.00 O ATOM 1541 NE2 GLN A 100 1.961 13.781 -13.260 1.00 0.00 N ATOM 0 H GLN A 100 -0.565 14.987 -9.318 1.00 0.00 H new ATOM 0 HA GLN A 100 -2.472 14.046 -11.130 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.062 12.566 -9.968 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.883 12.142 -11.458 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -0.382 14.467 -12.347 1.00 0.00 H new ATOM 0 HG3 GLN A 100 0.524 14.801 -10.885 1.00 0.00 H new ATOM 0 HE21 GLN A 100 1.554 14.601 -13.710 1.00 0.00 H new ATOM 0 HE22 GLN A 100 2.777 13.327 -13.670 1.00 0.00 H new ATOM 1550 N VAL A 101 -2.479 12.378 -8.298 1.00 0.00 N ATOM 1551 CA VAL A 101 -3.275 11.383 -7.523 1.00 0.00 C ATOM 1552 C VAL A 101 -4.659 11.961 -7.221 1.00 0.00 C ATOM 1553 O VAL A 101 -5.641 11.249 -7.162 1.00 0.00 O ATOM 1554 CB VAL A 101 -2.555 11.070 -6.210 1.00 0.00 C ATOM 1555 CG1 VAL A 101 -3.342 10.012 -5.433 1.00 0.00 C ATOM 1556 CG2 VAL A 101 -1.153 10.538 -6.512 1.00 0.00 C ATOM 0 H VAL A 101 -1.729 12.834 -7.778 1.00 0.00 H new ATOM 0 HA VAL A 101 -3.384 10.469 -8.106 1.00 0.00 H new ATOM 0 HB VAL A 101 -2.481 11.979 -5.613 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.828 9.790 -4.498 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.342 10.388 -5.217 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -3.417 9.103 -6.030 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.639 10.315 -5.577 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.229 9.630 -7.110 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.590 11.290 -7.065 1.00 0.00 H new ATOM 1566 N GLU A 102 -4.744 13.250 -7.027 1.00 0.00 N ATOM 1567 CA GLU A 102 -6.064 13.873 -6.726 1.00 0.00 C ATOM 1568 C GLU A 102 -6.957 13.805 -7.968 1.00 0.00 C ATOM 1569 O GLU A 102 -8.135 13.520 -7.882 1.00 0.00 O ATOM 1570 CB GLU A 102 -5.856 15.338 -6.325 1.00 0.00 C ATOM 1571 CG GLU A 102 -6.339 15.549 -4.888 1.00 0.00 C ATOM 1572 CD GLU A 102 -5.743 16.845 -4.334 1.00 0.00 C ATOM 1573 OE1 GLU A 102 -4.719 17.269 -4.844 1.00 0.00 O ATOM 1574 OE2 GLU A 102 -6.321 17.392 -3.409 1.00 0.00 O ATOM 0 H GLU A 102 -3.957 13.897 -7.064 1.00 0.00 H new ATOM 0 HA GLU A 102 -6.542 13.335 -5.907 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -4.802 15.602 -6.408 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -6.403 15.993 -7.003 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -7.428 15.597 -4.862 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -6.042 14.705 -4.266 1.00 0.00 H new ATOM 1581 N LYS A 103 -6.409 14.068 -9.122 1.00 0.00 N ATOM 1582 CA LYS A 103 -7.229 14.020 -10.366 1.00 0.00 C ATOM 1583 C LYS A 103 -7.581 12.567 -10.694 1.00 0.00 C ATOM 1584 O LYS A 103 -8.719 12.244 -10.976 1.00 0.00 O ATOM 1585 CB LYS A 103 -6.436 14.627 -11.525 1.00 0.00 C ATOM 1586 CG LYS A 103 -6.354 16.146 -11.354 1.00 0.00 C ATOM 1587 CD LYS A 103 -6.404 16.821 -12.727 1.00 0.00 C ATOM 1588 CE LYS A 103 -5.606 18.125 -12.685 1.00 0.00 C ATOM 1589 NZ LYS A 103 -4.188 17.828 -12.339 1.00 0.00 N ATOM 0 H LYS A 103 -5.429 14.314 -9.258 1.00 0.00 H new ATOM 0 HA LYS A 103 -8.146 14.589 -10.216 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -5.434 14.200 -11.555 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -6.915 14.383 -12.473 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -7.179 16.497 -10.735 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -5.432 16.415 -10.839 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -5.993 16.155 -13.486 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -7.438 17.024 -13.007 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -5.658 18.627 -13.651 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -6.037 18.804 -11.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -3.563 18.496 -12.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -4.054 17.924 -11.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -3.956 16.857 -12.629 1.00 0.00 H new ATOM 1603 N LEU A 104 -6.617 11.689 -10.664 1.00 0.00 N ATOM 1604 CA LEU A 104 -6.902 10.259 -10.980 1.00 0.00 C ATOM 1605 C LEU A 104 -7.858 9.684 -9.934 1.00 0.00 C ATOM 1606 O LEU A 104 -8.692 8.852 -10.233 1.00 0.00 O ATOM 1607 CB LEU A 104 -5.595 9.463 -10.968 1.00 0.00 C ATOM 1608 CG LEU A 104 -4.776 9.804 -12.214 1.00 0.00 C ATOM 1609 CD1 LEU A 104 -3.472 9.006 -12.203 1.00 0.00 C ATOM 1610 CD2 LEU A 104 -5.580 9.447 -13.468 1.00 0.00 C ATOM 0 H LEU A 104 -5.645 11.898 -10.435 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.360 10.191 -11.967 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.023 9.696 -10.070 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -5.808 8.394 -10.942 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.550 10.870 -12.217 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.889 9.249 -13.091 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.898 9.259 -11.312 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.698 7.940 -12.198 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.996 9.690 -14.356 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.807 8.381 -13.463 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.510 10.016 -13.478 1.00 0.00 H new ATOM 1622 N VAL A 105 -7.746 10.118 -8.708 1.00 0.00 N ATOM 1623 CA VAL A 105 -8.651 9.592 -7.647 1.00 0.00 C ATOM 1624 C VAL A 105 -10.069 10.121 -7.875 1.00 0.00 C ATOM 1625 O VAL A 105 -11.010 9.363 -8.008 1.00 0.00 O ATOM 1626 CB VAL A 105 -8.149 10.049 -6.276 1.00 0.00 C ATOM 1627 CG1 VAL A 105 -9.298 10.000 -5.268 1.00 0.00 C ATOM 1628 CG2 VAL A 105 -7.025 9.120 -5.812 1.00 0.00 C ATOM 0 H VAL A 105 -7.068 10.813 -8.396 1.00 0.00 H new ATOM 0 HA VAL A 105 -8.661 8.503 -7.686 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.774 11.070 -6.348 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -8.940 10.326 -4.292 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -10.100 10.660 -5.599 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -9.674 8.980 -5.194 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -6.665 9.444 -4.835 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -7.402 8.100 -5.740 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -6.205 9.154 -6.530 1.00 0.00 H new ATOM 1638 N ASN A 106 -10.231 11.415 -7.926 1.00 0.00 N ATOM 1639 CA ASN A 106 -11.588 11.988 -8.147 1.00 0.00 C ATOM 1640 C ASN A 106 -12.188 11.397 -9.425 1.00 0.00 C ATOM 1641 O ASN A 106 -13.348 11.039 -9.470 1.00 0.00 O ATOM 1642 CB ASN A 106 -11.484 13.509 -8.290 1.00 0.00 C ATOM 1643 CG ASN A 106 -10.893 14.102 -7.010 1.00 0.00 C ATOM 1644 OD1 ASN A 106 -9.974 13.550 -6.438 1.00 0.00 O ATOM 1645 ND2 ASN A 106 -11.384 15.213 -6.534 1.00 0.00 N ATOM 0 H ASN A 106 -9.482 12.100 -7.824 1.00 0.00 H new ATOM 0 HA ASN A 106 -12.227 11.746 -7.298 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -10.857 13.763 -9.144 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -12.469 13.935 -8.480 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -10.996 15.618 -5.682 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -12.155 15.677 -7.014 1.00 0.00 H new ATOM 1652 N LEU A 107 -11.405 11.289 -10.464 1.00 0.00 N ATOM 1653 CA LEU A 107 -11.931 10.720 -11.736 1.00 0.00 C ATOM 1654 C LEU A 107 -12.263 9.242 -11.532 1.00 0.00 C ATOM 1655 O LEU A 107 -13.266 8.748 -12.010 1.00 0.00 O ATOM 1656 CB LEU A 107 -10.871 10.854 -12.833 1.00 0.00 C ATOM 1657 CG LEU A 107 -11.265 9.987 -14.030 1.00 0.00 C ATOM 1658 CD1 LEU A 107 -10.944 10.731 -15.328 1.00 0.00 C ATOM 1659 CD2 LEU A 107 -10.479 8.674 -13.990 1.00 0.00 C ATOM 0 H LEU A 107 -10.425 11.570 -10.486 1.00 0.00 H new ATOM 0 HA LEU A 107 -12.831 11.260 -12.031 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -10.779 11.896 -13.139 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.897 10.546 -12.452 1.00 0.00 H new ATOM 0 HG LEU A 107 -12.333 9.774 -13.987 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -11.225 10.113 -16.181 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -11.502 11.667 -15.359 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -9.876 10.944 -15.371 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -10.760 8.056 -14.843 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.411 8.888 -14.032 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -10.706 8.142 -13.066 1.00 0.00 H new ATOM 1671 N ALA A 108 -11.428 8.530 -10.827 1.00 0.00 N ATOM 1672 CA ALA A 108 -11.695 7.084 -10.595 1.00 0.00 C ATOM 1673 C ALA A 108 -13.044 6.918 -9.893 1.00 0.00 C ATOM 1674 O ALA A 108 -13.913 6.209 -10.358 1.00 0.00 O ATOM 1675 CB ALA A 108 -10.587 6.497 -9.717 1.00 0.00 C ATOM 0 H ALA A 108 -10.573 8.888 -10.402 1.00 0.00 H new ATOM 0 HA ALA A 108 -11.718 6.561 -11.551 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -10.781 5.438 -9.546 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -9.626 6.614 -10.218 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -10.564 7.021 -8.761 1.00 0.00 H new ATOM 1681 N GLU A 109 -13.225 7.568 -8.776 1.00 0.00 N ATOM 1682 CA GLU A 109 -14.518 7.446 -8.043 1.00 0.00 C ATOM 1683 C GLU A 109 -15.640 8.060 -8.883 1.00 0.00 C ATOM 1684 O GLU A 109 -16.802 7.755 -8.700 1.00 0.00 O ATOM 1685 CB GLU A 109 -14.419 8.189 -6.708 1.00 0.00 C ATOM 1686 CG GLU A 109 -13.551 7.384 -5.737 1.00 0.00 C ATOM 1687 CD GLU A 109 -14.332 6.165 -5.244 1.00 0.00 C ATOM 1688 OE1 GLU A 109 -15.377 5.888 -5.807 1.00 0.00 O ATOM 1689 OE2 GLU A 109 -13.871 5.529 -4.311 1.00 0.00 O ATOM 0 H GLU A 109 -12.534 8.178 -8.339 1.00 0.00 H new ATOM 0 HA GLU A 109 -14.734 6.393 -7.860 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -13.989 9.179 -6.862 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -15.414 8.336 -6.287 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -12.633 7.065 -6.231 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -13.258 8.007 -4.892 1.00 0.00 H new ATOM 1696 N LYS A 110 -15.303 8.924 -9.801 1.00 0.00 N ATOM 1697 CA LYS A 110 -16.352 9.558 -10.650 1.00 0.00 C ATOM 1698 C LYS A 110 -16.889 8.535 -11.653 1.00 0.00 C ATOM 1699 O LYS A 110 -18.018 8.620 -12.093 1.00 0.00 O ATOM 1700 CB LYS A 110 -15.747 10.745 -11.404 1.00 0.00 C ATOM 1701 CG LYS A 110 -16.866 11.569 -12.045 1.00 0.00 C ATOM 1702 CD LYS A 110 -16.607 13.057 -11.804 1.00 0.00 C ATOM 1703 CE LYS A 110 -17.724 13.882 -12.445 1.00 0.00 C ATOM 1704 NZ LYS A 110 -19.048 13.346 -12.017 1.00 0.00 N ATOM 0 H LYS A 110 -14.347 9.218 -10.000 1.00 0.00 H new ATOM 0 HA LYS A 110 -17.169 9.906 -10.018 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -15.169 11.367 -10.720 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -15.058 10.389 -12.170 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -16.914 11.366 -13.115 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -17.830 11.284 -11.623 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -16.559 13.260 -10.734 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -15.643 13.342 -12.225 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -17.632 14.928 -12.152 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -17.639 13.846 -13.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -19.756 14.107 -12.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -19.337 12.581 -12.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -18.976 12.975 -11.048 1.00 0.00 H new ATOM 1718 N PHE A 111 -16.091 7.570 -12.020 1.00 0.00 N ATOM 1719 CA PHE A 111 -16.562 6.548 -12.996 1.00 0.00 C ATOM 1720 C PHE A 111 -17.016 5.293 -12.248 1.00 0.00 C ATOM 1721 O PHE A 111 -18.195 5.049 -12.086 1.00 0.00 O ATOM 1722 CB PHE A 111 -15.422 6.192 -13.953 1.00 0.00 C ATOM 1723 CG PHE A 111 -15.405 7.172 -15.101 1.00 0.00 C ATOM 1724 CD1 PHE A 111 -15.206 8.536 -14.854 1.00 0.00 C ATOM 1725 CD2 PHE A 111 -15.590 6.719 -16.413 1.00 0.00 C ATOM 1726 CE1 PHE A 111 -15.191 9.446 -15.918 1.00 0.00 C ATOM 1727 CE2 PHE A 111 -15.576 7.629 -17.477 1.00 0.00 C ATOM 1728 CZ PHE A 111 -15.376 8.992 -17.230 1.00 0.00 C ATOM 0 H PHE A 111 -15.135 7.445 -11.687 1.00 0.00 H new ATOM 0 HA PHE A 111 -17.400 6.950 -13.565 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -14.469 6.217 -13.425 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -15.552 5.177 -14.329 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -15.064 8.886 -13.842 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -15.744 5.667 -16.604 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -15.037 10.498 -15.727 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -15.720 7.279 -18.489 1.00 0.00 H new ATOM 0 HZ PHE A 111 -15.364 9.694 -18.051 1.00 0.00 H new ATOM 1738 N ASP A 112 -16.092 4.491 -11.791 1.00 0.00 N ATOM 1739 CA ASP A 112 -16.482 3.254 -11.056 1.00 0.00 C ATOM 1740 C ASP A 112 -15.271 2.326 -10.932 1.00 0.00 C ATOM 1741 O ASP A 112 -15.400 1.118 -10.947 1.00 0.00 O ATOM 1742 CB ASP A 112 -17.597 2.538 -11.822 1.00 0.00 C ATOM 1743 CG ASP A 112 -18.911 2.659 -11.046 1.00 0.00 C ATOM 1744 OD1 ASP A 112 -19.152 3.717 -10.489 1.00 0.00 O ATOM 1745 OD2 ASP A 112 -19.652 1.690 -11.021 1.00 0.00 O ATOM 0 H ASP A 112 -15.088 4.638 -11.894 1.00 0.00 H new ATOM 0 HA ASP A 112 -16.836 3.521 -10.060 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -17.708 2.974 -12.815 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -17.340 1.488 -11.961 1.00 0.00 H new ATOM 1750 N ILE A 113 -14.096 2.879 -10.809 1.00 0.00 N ATOM 1751 CA ILE A 113 -12.881 2.027 -10.686 1.00 0.00 C ATOM 1752 C ILE A 113 -12.225 2.265 -9.325 1.00 0.00 C ATOM 1753 O ILE A 113 -12.676 3.077 -8.540 1.00 0.00 O ATOM 1754 CB ILE A 113 -11.893 2.386 -11.797 1.00 0.00 C ATOM 1755 CG1 ILE A 113 -11.336 3.787 -11.545 1.00 0.00 C ATOM 1756 CG2 ILE A 113 -12.614 2.358 -13.147 1.00 0.00 C ATOM 1757 CD1 ILE A 113 -10.702 4.325 -12.830 1.00 0.00 C ATOM 0 H ILE A 113 -13.925 3.884 -10.788 1.00 0.00 H new ATOM 0 HA ILE A 113 -13.163 0.978 -10.774 1.00 0.00 H new ATOM 0 HB ILE A 113 -11.075 1.665 -11.807 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -12.133 4.453 -11.214 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -10.595 3.757 -10.747 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -11.911 2.614 -13.940 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -13.015 1.360 -13.325 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -13.430 3.080 -13.139 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -10.305 5.324 -12.649 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -9.893 3.664 -13.141 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -11.456 4.371 -13.616 1.00 0.00 H new ATOM 1769 N ILE A 114 -11.162 1.563 -9.037 1.00 0.00 N ATOM 1770 CA ILE A 114 -10.478 1.748 -7.727 1.00 0.00 C ATOM 1771 C ILE A 114 -9.006 2.090 -7.964 1.00 0.00 C ATOM 1772 O ILE A 114 -8.228 1.261 -8.394 1.00 0.00 O ATOM 1773 CB ILE A 114 -10.580 0.456 -6.914 1.00 0.00 C ATOM 1774 CG1 ILE A 114 -9.476 0.430 -5.855 1.00 0.00 C ATOM 1775 CG2 ILE A 114 -10.421 -0.746 -7.847 1.00 0.00 C ATOM 1776 CD1 ILE A 114 -9.510 1.729 -5.048 1.00 0.00 C ATOM 0 H ILE A 114 -10.738 0.869 -9.653 1.00 0.00 H new ATOM 0 HA ILE A 114 -10.954 2.561 -7.178 1.00 0.00 H new ATOM 0 HB ILE A 114 -11.553 0.410 -6.424 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -9.613 -0.425 -5.193 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -8.503 0.311 -6.332 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -10.493 -1.667 -7.269 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -11.208 -0.728 -8.601 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -9.448 -0.700 -8.337 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -8.723 1.710 -4.294 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -9.352 2.576 -5.715 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -10.479 1.828 -4.559 1.00 0.00 H new ATOM 1788 N TYR A 115 -8.616 3.304 -7.685 1.00 0.00 N ATOM 1789 CA TYR A 115 -7.194 3.698 -7.892 1.00 0.00 C ATOM 1790 C TYR A 115 -6.402 3.421 -6.612 1.00 0.00 C ATOM 1791 O TYR A 115 -6.661 3.997 -5.573 1.00 0.00 O ATOM 1792 CB TYR A 115 -7.126 5.191 -8.233 1.00 0.00 C ATOM 1793 CG TYR A 115 -5.825 5.775 -7.735 1.00 0.00 C ATOM 1794 CD1 TYR A 115 -4.683 5.734 -8.544 1.00 0.00 C ATOM 1795 CD2 TYR A 115 -5.761 6.358 -6.464 1.00 0.00 C ATOM 1796 CE1 TYR A 115 -3.478 6.277 -8.083 1.00 0.00 C ATOM 1797 CE2 TYR A 115 -4.556 6.902 -6.003 1.00 0.00 C ATOM 1798 CZ TYR A 115 -3.414 6.861 -6.812 1.00 0.00 C ATOM 1799 OH TYR A 115 -2.226 7.396 -6.358 1.00 0.00 O ATOM 0 H TYR A 115 -9.222 4.040 -7.322 1.00 0.00 H new ATOM 0 HA TYR A 115 -6.766 3.122 -8.713 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -7.208 5.331 -9.311 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -7.967 5.715 -7.779 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -4.732 5.283 -9.524 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -6.641 6.388 -5.839 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -2.598 6.246 -8.708 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -4.507 7.353 -5.023 1.00 0.00 H new ATOM 0 HH TYR A 115 -2.270 7.513 -5.386 1.00 0.00 H new ATOM 1809 N ASP A 116 -5.438 2.544 -6.676 1.00 0.00 N ATOM 1810 CA ASP A 116 -4.633 2.233 -5.461 1.00 0.00 C ATOM 1811 C ASP A 116 -3.293 1.622 -5.874 1.00 0.00 C ATOM 1812 O ASP A 116 -3.069 0.437 -5.727 1.00 0.00 O ATOM 1813 CB ASP A 116 -5.399 1.239 -4.586 1.00 0.00 C ATOM 1814 CG ASP A 116 -4.796 1.226 -3.180 1.00 0.00 C ATOM 1815 OD1 ASP A 116 -5.168 2.079 -2.390 1.00 0.00 O ATOM 1816 OD2 ASP A 116 -3.974 0.365 -2.917 1.00 0.00 O ATOM 0 H ASP A 116 -5.173 2.030 -7.516 1.00 0.00 H new ATOM 0 HA ASP A 116 -4.453 3.150 -4.901 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -6.452 1.516 -4.539 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -5.351 0.242 -5.023 1.00 0.00 H new ATOM 1821 N GLY A 117 -2.398 2.420 -6.390 1.00 0.00 N ATOM 1822 CA GLY A 117 -1.074 1.880 -6.809 1.00 0.00 C ATOM 1823 C GLY A 117 -0.295 2.958 -7.566 1.00 0.00 C ATOM 1824 O GLY A 117 -0.461 3.138 -8.755 1.00 0.00 O ATOM 0 H GLY A 117 -2.526 3.421 -6.539 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -0.509 1.556 -5.935 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -1.212 1.004 -7.443 1.00 0.00 H new ATOM 1828 N TRP A 118 0.559 3.676 -6.886 1.00 0.00 N ATOM 1829 CA TRP A 118 1.349 4.739 -7.570 1.00 0.00 C ATOM 1830 C TRP A 118 2.842 4.489 -7.337 1.00 0.00 C ATOM 1831 O TRP A 118 3.271 4.223 -6.233 1.00 0.00 O ATOM 1832 CB TRP A 118 0.945 6.113 -7.015 1.00 0.00 C ATOM 1833 CG TRP A 118 1.918 6.557 -5.966 1.00 0.00 C ATOM 1834 CD1 TRP A 118 1.867 6.208 -4.660 1.00 0.00 C ATOM 1835 CD2 TRP A 118 3.080 7.422 -6.113 1.00 0.00 C ATOM 1836 NE1 TRP A 118 2.923 6.805 -3.996 1.00 0.00 N ATOM 1837 CE2 TRP A 118 3.700 7.564 -4.848 1.00 0.00 C ATOM 1838 CE3 TRP A 118 3.651 8.093 -7.210 1.00 0.00 C ATOM 1839 CZ2 TRP A 118 4.845 8.344 -4.679 1.00 0.00 C ATOM 1840 CZ3 TRP A 118 4.804 8.878 -7.043 1.00 0.00 C ATOM 1841 CH2 TRP A 118 5.400 9.002 -5.780 1.00 0.00 C ATOM 0 H TRP A 118 0.743 3.572 -5.888 1.00 0.00 H new ATOM 0 HA TRP A 118 1.149 4.719 -8.641 1.00 0.00 H new ATOM 0 HB2 TRP A 118 0.912 6.844 -7.823 1.00 0.00 H new ATOM 0 HB3 TRP A 118 -0.058 6.061 -6.592 1.00 0.00 H new ATOM 0 HD1 TRP A 118 1.123 5.568 -4.209 1.00 0.00 H new ATOM 0 HE1 TRP A 118 3.106 6.698 -2.998 1.00 0.00 H new ATOM 0 HE3 TRP A 118 3.200 8.004 -8.187 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 5.299 8.438 -3.704 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 5.234 9.389 -7.892 1.00 0.00 H new ATOM 0 HH2 TRP A 118 6.287 9.606 -5.658 1.00 0.00 H new ATOM 1852 N GLY A 119 3.636 4.572 -8.370 1.00 0.00 N ATOM 1853 CA GLY A 119 5.099 4.339 -8.205 1.00 0.00 C ATOM 1854 C GLY A 119 5.875 5.262 -9.144 1.00 0.00 C ATOM 1855 O GLY A 119 5.355 5.736 -10.136 1.00 0.00 O ATOM 0 H GLY A 119 3.335 4.791 -9.320 1.00 0.00 H new ATOM 0 HA2 GLY A 119 5.393 4.525 -7.172 1.00 0.00 H new ATOM 0 HA3 GLY A 119 5.338 3.298 -8.422 1.00 0.00 H new ATOM 1859 N THR A 120 7.118 5.524 -8.841 1.00 0.00 N ATOM 1860 CA THR A 120 7.927 6.417 -9.717 1.00 0.00 C ATOM 1861 C THR A 120 9.247 5.728 -10.071 1.00 0.00 C ATOM 1862 O THR A 120 9.968 5.266 -9.209 1.00 0.00 O ATOM 1863 CB THR A 120 8.218 7.726 -8.980 1.00 0.00 C ATOM 1864 OG1 THR A 120 9.166 8.483 -9.719 1.00 0.00 O ATOM 1865 CG2 THR A 120 8.779 7.417 -7.591 1.00 0.00 C ATOM 0 H THR A 120 7.607 5.158 -8.024 1.00 0.00 H new ATOM 0 HA THR A 120 7.372 6.629 -10.631 1.00 0.00 H new ATOM 0 HB THR A 120 7.296 8.299 -8.878 1.00 0.00 H new ATOM 0 HG1 THR A 120 9.352 9.322 -9.249 1.00 0.00 H new ATOM 0 HG21 THR A 120 8.986 8.350 -7.066 1.00 0.00 H new ATOM 0 HG22 THR A 120 8.050 6.837 -7.025 1.00 0.00 H new ATOM 0 HG23 THR A 120 9.701 6.844 -7.690 1.00 0.00 H new ATOM 1873 N TYR A 121 9.570 5.657 -11.333 1.00 0.00 N ATOM 1874 CA TYR A 121 10.844 5.000 -11.743 1.00 0.00 C ATOM 1875 C TYR A 121 12.029 5.797 -11.193 1.00 0.00 C ATOM 1876 O TYR A 121 11.875 6.901 -10.705 1.00 0.00 O ATOM 1877 CB TYR A 121 10.925 4.955 -13.272 1.00 0.00 C ATOM 1878 CG TYR A 121 10.829 3.523 -13.746 1.00 0.00 C ATOM 1879 CD1 TYR A 121 11.887 2.637 -13.516 1.00 0.00 C ATOM 1880 CD2 TYR A 121 9.681 3.084 -14.417 1.00 0.00 C ATOM 1881 CE1 TYR A 121 11.799 1.310 -13.955 1.00 0.00 C ATOM 1882 CE2 TYR A 121 9.593 1.758 -14.856 1.00 0.00 C ATOM 1883 CZ TYR A 121 10.652 0.871 -14.625 1.00 0.00 C ATOM 1884 OH TYR A 121 10.564 -0.436 -15.059 1.00 0.00 O ATOM 0 H TYR A 121 9.006 6.026 -12.099 1.00 0.00 H new ATOM 0 HA TYR A 121 10.874 3.985 -11.347 1.00 0.00 H new ATOM 0 HB2 TYR A 121 10.119 5.547 -13.706 1.00 0.00 H new ATOM 0 HB3 TYR A 121 11.862 5.398 -13.609 1.00 0.00 H new ATOM 0 HD1 TYR A 121 12.773 2.977 -12.999 1.00 0.00 H new ATOM 0 HD2 TYR A 121 8.864 3.768 -14.596 1.00 0.00 H new ATOM 0 HE1 TYR A 121 12.616 0.626 -13.776 1.00 0.00 H new ATOM 0 HE2 TYR A 121 8.708 1.418 -15.373 1.00 0.00 H new ATOM 0 HH TYR A 121 9.702 -0.576 -15.504 1.00 0.00 H new