USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 612 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 17 GLN : amide:sc= -3.65 K(o=-3.6,f=-5.7!) USER MOD Set 1.2: A 84 SER OG : rot -97:sc= 0.0596 USER MOD Single : A 24 SER OG : rot 108:sc= 0.0894 USER MOD Single : A 25 SER OG : rot -26:sc= 0.0607 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.227 USER MOD Single : A 28 ASN :FLIP amide:sc= -1.02! C(o=-2.6!,f=-1!) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.151 K(o=-0.15,f=-2.3!) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 46 THR OG1 : rot 169:sc= 0.165 USER MOD Single : A 49 ASN : amide:sc= -0.533 K(o=-0.53,f=-3.2!) USER MOD Single : A 50 THR OG1 : rot 113:sc= 1.22 USER MOD Single : A 51 TYR OH : rot 171:sc= 0.312 USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -3:sc= -0.0669 USER MOD Single : A 59 MET CE :methyl -149:sc= -0.473 (180deg=-1.81!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 151 N ILE A 13 -11.858 -8.415 11.902 1.00 0.00 N ATOM 152 CA ILE A 13 -11.508 -7.149 11.269 1.00 0.00 C ATOM 153 C ILE A 13 -10.079 -6.741 11.607 1.00 0.00 C ATOM 154 O ILE A 13 -9.498 -7.224 12.580 1.00 0.00 O ATOM 155 CB ILE A 13 -12.467 -6.022 11.697 1.00 0.00 C ATOM 156 CG1 ILE A 13 -13.921 -6.462 11.513 1.00 0.00 C ATOM 157 CG2 ILE A 13 -12.186 -4.757 10.900 1.00 0.00 C ATOM 158 CD1 ILE A 13 -14.320 -6.639 10.065 1.00 0.00 C ATOM 0 HA ILE A 13 -11.594 -7.300 10.193 1.00 0.00 H new ATOM 0 HB ILE A 13 -12.303 -5.807 12.753 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -14.077 -7.402 12.042 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -14.577 -5.724 11.974 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -12.871 -3.970 11.214 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.159 -4.436 11.077 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -12.326 -4.958 9.838 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -15.363 -6.951 10.011 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -14.196 -5.694 9.535 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -13.689 -7.399 9.604 1.00 0.00 H new ATOM 170 N ALA A 14 -9.517 -5.848 10.799 1.00 0.00 N ATOM 171 CA ALA A 14 -8.156 -5.372 11.016 1.00 0.00 C ATOM 172 C ALA A 14 -8.110 -3.849 11.071 1.00 0.00 C ATOM 173 O ALA A 14 -8.842 -3.170 10.350 1.00 0.00 O ATOM 174 CB ALA A 14 -7.235 -5.891 9.921 1.00 0.00 C ATOM 0 H ALA A 14 -9.983 -5.440 9.989 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.812 -5.755 11.977 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -6.222 -5.528 10.095 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.237 -6.981 9.931 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -7.586 -5.536 8.952 1.00 0.00 H new ATOM 180 N ARG A 15 -7.246 -3.318 11.930 1.00 0.00 N ATOM 181 CA ARG A 15 -7.107 -1.875 12.080 1.00 0.00 C ATOM 182 C ARG A 15 -5.853 -1.373 11.369 1.00 0.00 C ATOM 183 O ARG A 15 -4.740 -1.517 11.877 1.00 0.00 O ATOM 184 CB ARG A 15 -7.051 -1.498 13.561 1.00 0.00 C ATOM 185 CG ARG A 15 -7.654 -0.136 13.866 1.00 0.00 C ATOM 186 CD ARG A 15 -7.906 0.042 15.355 1.00 0.00 C ATOM 187 NE ARG A 15 -9.244 -0.399 15.740 1.00 0.00 N ATOM 188 CZ ARG A 15 -9.711 -0.331 16.982 1.00 0.00 C ATOM 189 NH1 ARG A 15 -8.953 0.159 17.953 1.00 0.00 N ATOM 190 NH2 ARG A 15 -10.940 -0.752 17.254 1.00 0.00 N ATOM 0 H ARG A 15 -6.632 -3.866 12.533 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.977 -1.402 11.624 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -7.577 -2.257 14.141 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.012 -1.508 13.891 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.983 0.647 13.513 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -8.591 -0.022 13.321 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -7.162 -0.522 15.918 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -7.780 1.091 15.621 1.00 0.00 H new ATOM 0 HE ARG A 15 -9.853 -0.780 15.016 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -8.009 0.485 17.748 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -9.314 0.210 18.906 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -11.527 -1.128 16.509 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -11.298 -0.699 18.208 1.00 0.00 H new ATOM 204 N ILE A 16 -6.041 -0.785 10.193 1.00 0.00 N ATOM 205 CA ILE A 16 -4.926 -0.262 9.414 1.00 0.00 C ATOM 206 C ILE A 16 -5.004 1.256 9.293 1.00 0.00 C ATOM 207 O ILE A 16 -5.906 1.792 8.650 1.00 0.00 O ATOM 208 CB ILE A 16 -4.889 -0.876 8.002 1.00 0.00 C ATOM 209 CG1 ILE A 16 -5.200 -2.373 8.065 1.00 0.00 C ATOM 210 CG2 ILE A 16 -3.531 -0.639 7.357 1.00 0.00 C ATOM 211 CD1 ILE A 16 -4.094 -3.194 8.689 1.00 0.00 C ATOM 0 H ILE A 16 -6.955 -0.659 9.759 1.00 0.00 H new ATOM 0 HA ILE A 16 -4.014 -0.536 9.945 1.00 0.00 H new ATOM 0 HB ILE A 16 -5.650 -0.391 7.391 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -6.117 -2.522 8.635 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.388 -2.739 7.056 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.520 -1.079 6.360 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.345 0.433 7.283 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.754 -1.101 7.966 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.383 -4.245 8.701 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.180 -3.075 8.107 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.920 -2.854 9.710 1.00 0.00 H new ATOM 223 N GLN A 17 -4.051 1.943 9.916 1.00 0.00 N ATOM 224 CA GLN A 17 -4.012 3.400 9.877 1.00 0.00 C ATOM 225 C GLN A 17 -3.106 3.891 8.752 1.00 0.00 C ATOM 226 O GLN A 17 -1.992 3.397 8.578 1.00 0.00 O ATOM 227 CB GLN A 17 -3.525 3.954 11.217 1.00 0.00 C ATOM 228 CG GLN A 17 -3.376 5.467 11.233 1.00 0.00 C ATOM 229 CD GLN A 17 -2.470 5.953 12.347 1.00 0.00 C ATOM 230 OE1 GLN A 17 -1.680 5.187 12.899 1.00 0.00 O ATOM 231 NE2 GLN A 17 -2.579 7.233 12.683 1.00 0.00 N ATOM 0 H GLN A 17 -3.297 1.514 10.453 1.00 0.00 H new ATOM 0 HA GLN A 17 -5.023 3.760 9.688 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.225 3.658 11.999 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -2.564 3.500 11.461 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -2.977 5.799 10.275 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -4.359 5.924 11.344 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.247 7.832 12.199 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -1.994 7.617 13.425 1.00 0.00 H new ATOM 240 N PHE A 18 -3.593 4.864 7.990 1.00 0.00 N ATOM 241 CA PHE A 18 -2.828 5.421 6.880 1.00 0.00 C ATOM 242 C PHE A 18 -2.320 6.820 7.216 1.00 0.00 C ATOM 243 O PHE A 18 -3.104 7.757 7.366 1.00 0.00 O ATOM 244 CB PHE A 18 -3.686 5.468 5.614 1.00 0.00 C ATOM 245 CG PHE A 18 -3.984 4.112 5.040 1.00 0.00 C ATOM 246 CD1 PHE A 18 -3.049 3.457 4.255 1.00 0.00 C ATOM 247 CD2 PHE A 18 -5.199 3.493 5.287 1.00 0.00 C ATOM 248 CE1 PHE A 18 -3.321 2.210 3.725 1.00 0.00 C ATOM 249 CE2 PHE A 18 -5.476 2.245 4.760 1.00 0.00 C ATOM 250 CZ PHE A 18 -4.536 1.603 3.979 1.00 0.00 C ATOM 0 H PHE A 18 -4.514 5.283 8.120 1.00 0.00 H new ATOM 0 HA PHE A 18 -1.968 4.774 6.704 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.626 5.972 5.840 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -3.175 6.068 4.861 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.097 3.926 4.055 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -5.938 3.991 5.898 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.585 1.710 3.113 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -6.427 1.773 4.959 1.00 0.00 H new ATOM 0 HZ PHE A 18 -4.750 0.628 3.567 1.00 0.00 H new ATOM 260 N ARG A 19 -1.003 6.952 7.335 1.00 0.00 N ATOM 261 CA ARG A 19 -0.390 8.235 7.655 1.00 0.00 C ATOM 262 C ARG A 19 0.073 8.948 6.388 1.00 0.00 C ATOM 263 O ARG A 19 0.831 8.393 5.592 1.00 0.00 O ATOM 264 CB ARG A 19 0.794 8.036 8.603 1.00 0.00 C ATOM 265 CG ARG A 19 0.410 7.418 9.937 1.00 0.00 C ATOM 266 CD ARG A 19 1.501 7.614 10.978 1.00 0.00 C ATOM 267 NE ARG A 19 1.140 7.032 12.267 1.00 0.00 N ATOM 268 CZ ARG A 19 0.305 7.607 13.125 1.00 0.00 C ATOM 269 NH1 ARG A 19 -0.251 8.775 12.833 1.00 0.00 N ATOM 270 NH2 ARG A 19 0.025 7.015 14.279 1.00 0.00 N ATOM 0 H ARG A 19 -0.340 6.186 7.215 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.140 8.855 8.146 1.00 0.00 H new ATOM 0 HB2 ARG A 19 1.534 7.400 8.117 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.270 9.000 8.783 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.518 7.866 10.293 1.00 0.00 H new ATOM 0 HG3 ARG A 19 0.220 6.353 9.804 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.426 7.161 10.622 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.695 8.679 11.103 1.00 0.00 H new ATOM 0 HE ARG A 19 1.552 6.134 12.523 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -0.038 9.234 11.948 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.892 9.214 13.494 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.451 6.117 14.508 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.616 7.458 14.937 1.00 0.00 H new ATOM 284 N LEU A 20 -0.388 10.181 6.208 1.00 0.00 N ATOM 285 CA LEU A 20 -0.022 10.971 5.037 1.00 0.00 C ATOM 286 C LEU A 20 1.124 11.925 5.360 1.00 0.00 C ATOM 287 O LEU A 20 1.330 12.320 6.508 1.00 0.00 O ATOM 288 CB LEU A 20 -1.230 11.760 4.532 1.00 0.00 C ATOM 289 CG LEU A 20 -2.324 10.944 3.842 1.00 0.00 C ATOM 290 CD1 LEU A 20 -3.553 11.804 3.589 1.00 0.00 C ATOM 291 CD2 LEU A 20 -1.807 10.353 2.538 1.00 0.00 C ATOM 0 H LEU A 20 -1.016 10.655 6.857 1.00 0.00 H new ATOM 0 HA LEU A 20 0.309 10.286 4.256 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.675 12.285 5.377 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.877 12.520 3.835 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.609 10.124 4.502 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.320 11.206 3.097 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.937 12.178 4.538 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.283 12.645 2.950 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.599 9.776 2.061 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.493 11.158 1.873 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.958 9.702 2.745 1.00 0.00 H new ATOM 303 N PRO A 21 1.887 12.307 4.325 1.00 0.00 N ATOM 304 CA PRO A 21 3.022 13.221 4.474 1.00 0.00 C ATOM 305 C PRO A 21 2.582 14.644 4.800 1.00 0.00 C ATOM 306 O PRO A 21 3.412 15.539 4.964 1.00 0.00 O ATOM 307 CB PRO A 21 3.699 13.172 3.101 1.00 0.00 C ATOM 308 CG PRO A 21 2.613 12.785 2.158 1.00 0.00 C ATOM 309 CD PRO A 21 1.699 11.875 2.930 1.00 0.00 C ATOM 0 HA PRO A 21 3.674 12.930 5.297 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.128 14.138 2.836 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.513 12.447 3.086 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.077 13.663 1.799 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.019 12.279 1.282 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.662 11.983 2.612 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.967 10.827 2.794 1.00 0.00 H new ATOM 317 N ASP A 22 1.273 14.846 4.894 1.00 0.00 N ATOM 318 CA ASP A 22 0.722 16.161 5.202 1.00 0.00 C ATOM 319 C ASP A 22 -0.034 16.136 6.527 1.00 0.00 C ATOM 320 O ASP A 22 -0.994 16.881 6.720 1.00 0.00 O ATOM 321 CB ASP A 22 -0.207 16.625 4.079 1.00 0.00 C ATOM 322 CG ASP A 22 -1.432 15.743 3.940 1.00 0.00 C ATOM 323 OD1 ASP A 22 -1.301 14.625 3.400 1.00 0.00 O ATOM 324 OD2 ASP A 22 -2.523 16.172 4.372 1.00 0.00 O ATOM 0 H ASP A 22 0.573 14.116 4.761 1.00 0.00 H new ATOM 0 HA ASP A 22 1.551 16.863 5.290 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.521 17.651 4.272 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.341 16.631 3.137 1.00 0.00 H new ATOM 329 N GLY A 23 0.406 15.273 7.438 1.00 0.00 N ATOM 330 CA GLY A 23 -0.241 15.166 8.732 1.00 0.00 C ATOM 331 C GLY A 23 -1.507 14.333 8.681 1.00 0.00 C ATOM 332 O GLY A 23 -1.630 13.335 9.390 1.00 0.00 O ATOM 0 H GLY A 23 1.199 14.646 7.302 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.453 14.723 9.446 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.481 16.164 9.098 1.00 0.00 H new ATOM 336 N SER A 24 -2.450 14.744 7.840 1.00 0.00 N ATOM 337 CA SER A 24 -3.715 14.032 7.703 1.00 0.00 C ATOM 338 C SER A 24 -3.495 12.522 7.740 1.00 0.00 C ATOM 339 O SER A 24 -2.403 12.036 7.448 1.00 0.00 O ATOM 340 CB SER A 24 -4.408 14.425 6.396 1.00 0.00 C ATOM 341 OG SER A 24 -4.799 15.787 6.417 1.00 0.00 O ATOM 0 H SER A 24 -2.362 15.566 7.243 1.00 0.00 H new ATOM 0 HA SER A 24 -4.353 14.311 8.542 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.735 14.249 5.557 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.283 13.794 6.241 1.00 0.00 H new ATOM 0 HG SER A 24 -4.217 16.304 5.821 1.00 0.00 H new ATOM 347 N SER A 25 -4.542 11.787 8.101 1.00 0.00 N ATOM 348 CA SER A 25 -4.464 10.333 8.181 1.00 0.00 C ATOM 349 C SER A 25 -5.858 9.714 8.200 1.00 0.00 C ATOM 350 O SER A 25 -6.821 10.339 8.646 1.00 0.00 O ATOM 351 CB SER A 25 -3.689 9.911 9.430 1.00 0.00 C ATOM 352 OG SER A 25 -2.462 10.613 9.531 1.00 0.00 O ATOM 0 H SER A 25 -5.454 12.174 8.343 1.00 0.00 H new ATOM 0 HA SER A 25 -3.938 9.973 7.297 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.293 10.099 10.317 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.496 8.839 9.397 1.00 0.00 H new ATOM 0 HG SER A 25 -2.165 10.883 8.637 1.00 0.00 H new ATOM 358 N PHE A 26 -5.958 8.482 7.714 1.00 0.00 N ATOM 359 CA PHE A 26 -7.235 7.777 7.674 1.00 0.00 C ATOM 360 C PHE A 26 -7.044 6.290 7.959 1.00 0.00 C ATOM 361 O PHE A 26 -6.133 5.655 7.428 1.00 0.00 O ATOM 362 CB PHE A 26 -7.902 7.964 6.310 1.00 0.00 C ATOM 363 CG PHE A 26 -7.004 7.632 5.152 1.00 0.00 C ATOM 364 CD1 PHE A 26 -6.940 6.340 4.657 1.00 0.00 C ATOM 365 CD2 PHE A 26 -6.224 8.613 4.560 1.00 0.00 C ATOM 366 CE1 PHE A 26 -6.115 6.031 3.591 1.00 0.00 C ATOM 367 CE2 PHE A 26 -5.398 8.310 3.495 1.00 0.00 C ATOM 368 CZ PHE A 26 -5.342 7.017 3.010 1.00 0.00 C ATOM 0 H PHE A 26 -5.171 7.950 7.342 1.00 0.00 H new ATOM 0 HA PHE A 26 -7.879 8.198 8.447 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.792 7.336 6.261 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.235 8.998 6.216 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -7.541 5.565 5.109 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.262 9.625 4.935 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.075 5.020 3.213 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.796 9.083 3.041 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.695 6.778 2.179 1.00 0.00 H new ATOM 378 N THR A 27 -7.911 5.740 8.804 1.00 0.00 N ATOM 379 CA THR A 27 -7.838 4.329 9.163 1.00 0.00 C ATOM 380 C THR A 27 -9.079 3.578 8.693 1.00 0.00 C ATOM 381 O THR A 27 -10.166 3.753 9.242 1.00 0.00 O ATOM 382 CB THR A 27 -7.685 4.144 10.684 1.00 0.00 C ATOM 383 OG1 THR A 27 -6.602 4.946 11.169 1.00 0.00 O ATOM 384 CG2 THR A 27 -7.434 2.683 11.029 1.00 0.00 C ATOM 0 H THR A 27 -8.672 6.250 9.252 1.00 0.00 H new ATOM 0 HA THR A 27 -6.959 3.921 8.665 1.00 0.00 H new ATOM 0 HB THR A 27 -8.613 4.460 11.161 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.513 4.824 12.137 1.00 0.00 H new ATOM 0 HG21 THR A 27 -7.329 2.577 12.109 1.00 0.00 H new ATOM 0 HG22 THR A 27 -8.273 2.079 10.685 1.00 0.00 H new ATOM 0 HG23 THR A 27 -6.520 2.346 10.541 1.00 0.00 H new ATOM 392 N ASN A 28 -8.908 2.741 7.675 1.00 0.00 N ATOM 393 CA ASN A 28 -10.015 1.962 7.132 1.00 0.00 C ATOM 394 C ASN A 28 -10.129 0.614 7.837 1.00 0.00 C ATOM 395 O ASN A 28 -9.311 0.280 8.693 1.00 0.00 O ATOM 396 CB ASN A 28 -9.828 1.750 5.629 1.00 0.00 C ATOM 397 CG ASN A 28 -11.100 1.284 4.947 1.00 0.00 C ATOM 398 OD1 ASN A 28 -12.071 2.182 4.831 1.00 0.00 O flip ATOM 399 ND2 ASN A 28 -11.207 0.131 4.530 1.00 0.00 N flip ATOM 0 H ASN A 28 -8.014 2.585 7.210 1.00 0.00 H new ATOM 0 HA ASN A 28 -10.936 2.520 7.301 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -9.495 2.682 5.172 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.040 1.015 5.464 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -10.434 -0.525 4.641 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -12.069 -0.168 4.073 1.00 0.00 H new ATOM 406 N GLN A 29 -11.149 -0.155 7.469 1.00 0.00 N ATOM 407 CA GLN A 29 -11.369 -1.467 8.066 1.00 0.00 C ATOM 408 C GLN A 29 -11.221 -2.571 7.024 1.00 0.00 C ATOM 409 O GLN A 29 -11.863 -2.539 5.975 1.00 0.00 O ATOM 410 CB GLN A 29 -12.759 -1.534 8.702 1.00 0.00 C ATOM 411 CG GLN A 29 -12.793 -1.044 10.141 1.00 0.00 C ATOM 412 CD GLN A 29 -14.164 -0.547 10.556 1.00 0.00 C ATOM 413 OE1 GLN A 29 -14.407 0.658 10.619 1.00 0.00 O ATOM 414 NE2 GLN A 29 -15.069 -1.476 10.841 1.00 0.00 N ATOM 0 H GLN A 29 -11.835 0.107 6.761 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.615 -1.618 8.839 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -13.451 -0.938 8.107 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.116 -2.563 8.669 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -12.488 -1.854 10.804 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.067 -0.241 10.265 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -14.824 -2.464 10.775 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -16.009 -1.202 11.126 1.00 0.00 H new ATOM 423 N PHE A 30 -10.369 -3.547 7.321 1.00 0.00 N ATOM 424 CA PHE A 30 -10.135 -4.661 6.410 1.00 0.00 C ATOM 425 C PHE A 30 -10.121 -5.988 7.164 1.00 0.00 C ATOM 426 O PHE A 30 -9.789 -6.054 8.348 1.00 0.00 O ATOM 427 CB PHE A 30 -8.811 -4.470 5.667 1.00 0.00 C ATOM 428 CG PHE A 30 -8.665 -3.113 5.040 1.00 0.00 C ATOM 429 CD1 PHE A 30 -9.314 -2.811 3.854 1.00 0.00 C ATOM 430 CD2 PHE A 30 -7.879 -2.141 5.637 1.00 0.00 C ATOM 431 CE1 PHE A 30 -9.183 -1.562 3.274 1.00 0.00 C ATOM 432 CE2 PHE A 30 -7.744 -0.891 5.062 1.00 0.00 C ATOM 433 CZ PHE A 30 -8.396 -0.602 3.879 1.00 0.00 C ATOM 0 H PHE A 30 -9.829 -3.589 8.186 1.00 0.00 H new ATOM 0 HA PHE A 30 -10.950 -4.683 5.687 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.987 -4.631 6.362 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -8.726 -5.231 4.891 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -9.929 -3.559 3.377 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -7.366 -2.362 6.561 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.695 -1.338 2.350 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -7.129 -0.141 5.537 1.00 0.00 H new ATOM 0 HZ PHE A 30 -8.290 0.374 3.428 1.00 0.00 H new ATOM 443 N PRO A 31 -10.492 -7.070 6.463 1.00 0.00 N ATOM 444 CA PRO A 31 -10.531 -8.415 7.046 1.00 0.00 C ATOM 445 C PRO A 31 -9.138 -8.960 7.339 1.00 0.00 C ATOM 446 O PRO A 31 -8.264 -8.957 6.472 1.00 0.00 O ATOM 447 CB PRO A 31 -11.215 -9.251 5.961 1.00 0.00 C ATOM 448 CG PRO A 31 -10.937 -8.524 4.691 1.00 0.00 C ATOM 449 CD PRO A 31 -10.900 -7.064 5.048 1.00 0.00 C ATOM 0 HA PRO A 31 -11.049 -8.429 8.005 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.816 -10.265 5.932 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -12.286 -9.335 6.143 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -9.989 -8.844 4.258 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -11.710 -8.725 3.949 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.191 -6.516 4.427 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -11.873 -6.592 4.912 1.00 0.00 H new ATOM 457 N SER A 32 -8.937 -9.429 8.566 1.00 0.00 N ATOM 458 CA SER A 32 -7.648 -9.975 8.975 1.00 0.00 C ATOM 459 C SER A 32 -7.021 -10.789 7.847 1.00 0.00 C ATOM 460 O SER A 32 -5.800 -10.930 7.773 1.00 0.00 O ATOM 461 CB SER A 32 -7.812 -10.848 10.220 1.00 0.00 C ATOM 462 OG SER A 32 -8.557 -12.018 9.928 1.00 0.00 O ATOM 0 H SER A 32 -9.651 -9.442 9.295 1.00 0.00 H new ATOM 0 HA SER A 32 -6.986 -9.142 9.210 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.831 -11.125 10.606 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.314 -10.280 11.003 1.00 0.00 H new ATOM 0 HG SER A 32 -8.646 -12.560 10.740 1.00 0.00 H new ATOM 468 N ASP A 33 -7.865 -11.323 6.972 1.00 0.00 N ATOM 469 CA ASP A 33 -7.396 -12.123 5.846 1.00 0.00 C ATOM 470 C ASP A 33 -6.855 -11.230 4.734 1.00 0.00 C ATOM 471 O ASP A 33 -5.810 -11.514 4.149 1.00 0.00 O ATOM 472 CB ASP A 33 -8.527 -13.000 5.309 1.00 0.00 C ATOM 473 CG ASP A 33 -9.467 -13.467 6.403 1.00 0.00 C ATOM 474 OD1 ASP A 33 -9.159 -14.487 7.055 1.00 0.00 O ATOM 475 OD2 ASP A 33 -10.512 -12.813 6.608 1.00 0.00 O ATOM 0 H ASP A 33 -8.878 -11.217 7.020 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.588 -12.764 6.199 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.092 -12.442 4.562 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.102 -13.868 4.805 1.00 0.00 H new ATOM 480 N ALA A 34 -7.575 -10.151 4.445 1.00 0.00 N ATOM 481 CA ALA A 34 -7.167 -9.217 3.403 1.00 0.00 C ATOM 482 C ALA A 34 -5.660 -8.990 3.428 1.00 0.00 C ATOM 483 O ALA A 34 -5.081 -8.612 4.447 1.00 0.00 O ATOM 484 CB ALA A 34 -7.904 -7.895 3.562 1.00 0.00 C ATOM 0 H ALA A 34 -8.444 -9.902 4.918 1.00 0.00 H new ATOM 0 HA ALA A 34 -7.426 -9.652 2.438 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.590 -7.207 2.777 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -8.978 -8.066 3.486 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.673 -7.464 4.536 1.00 0.00 H new ATOM 490 N PRO A 35 -5.006 -9.226 2.281 1.00 0.00 N ATOM 491 CA PRO A 35 -3.556 -9.055 2.147 1.00 0.00 C ATOM 492 C PRO A 35 -3.139 -7.589 2.197 1.00 0.00 C ATOM 493 O PRO A 35 -3.843 -6.715 1.690 1.00 0.00 O ATOM 494 CB PRO A 35 -3.255 -9.650 0.769 1.00 0.00 C ATOM 495 CG PRO A 35 -4.533 -9.521 0.013 1.00 0.00 C ATOM 496 CD PRO A 35 -5.631 -9.679 1.027 1.00 0.00 C ATOM 0 HA PRO A 35 -3.012 -9.533 2.961 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -2.446 -9.113 0.274 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -2.945 -10.692 0.847 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -4.597 -8.553 -0.484 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -4.606 -10.283 -0.763 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -6.503 -9.076 0.772 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -5.968 -10.713 1.097 1.00 0.00 H new ATOM 504 N LEU A 36 -1.990 -7.326 2.810 1.00 0.00 N ATOM 505 CA LEU A 36 -1.478 -5.965 2.926 1.00 0.00 C ATOM 506 C LEU A 36 -1.837 -5.142 1.692 1.00 0.00 C ATOM 507 O LEU A 36 -2.199 -3.971 1.800 1.00 0.00 O ATOM 508 CB LEU A 36 0.039 -5.984 3.117 1.00 0.00 C ATOM 509 CG LEU A 36 0.648 -4.747 3.777 1.00 0.00 C ATOM 510 CD1 LEU A 36 2.157 -4.730 3.589 1.00 0.00 C ATOM 511 CD2 LEU A 36 0.024 -3.479 3.212 1.00 0.00 C ATOM 0 H LEU A 36 -1.395 -8.038 3.234 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.941 -5.501 3.797 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.299 -6.856 3.717 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.506 -6.118 2.141 1.00 0.00 H new ATOM 0 HG LEU A 36 0.436 -4.787 4.845 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.573 -3.842 4.065 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.590 -5.622 4.042 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.391 -4.714 2.525 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.470 -2.608 3.693 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.205 -3.432 2.138 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.050 -3.487 3.399 1.00 0.00 H new ATOM 523 N GLU A 37 -1.733 -5.764 0.522 1.00 0.00 N ATOM 524 CA GLU A 37 -2.048 -5.088 -0.731 1.00 0.00 C ATOM 525 C GLU A 37 -3.361 -4.319 -0.620 1.00 0.00 C ATOM 526 O GLU A 37 -3.424 -3.131 -0.934 1.00 0.00 O ATOM 527 CB GLU A 37 -2.133 -6.101 -1.875 1.00 0.00 C ATOM 528 CG GLU A 37 -2.622 -5.502 -3.183 1.00 0.00 C ATOM 529 CD GLU A 37 -2.978 -6.559 -4.211 1.00 0.00 C ATOM 530 OE1 GLU A 37 -2.117 -7.414 -4.506 1.00 0.00 O ATOM 531 OE2 GLU A 37 -4.118 -6.531 -4.721 1.00 0.00 O ATOM 0 H GLU A 37 -1.434 -6.733 0.416 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.248 -4.378 -0.942 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.149 -6.542 -2.033 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.802 -6.911 -1.583 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.496 -4.880 -2.989 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.850 -4.849 -3.591 1.00 0.00 H new ATOM 538 N GLU A 38 -4.407 -5.006 -0.172 1.00 0.00 N ATOM 539 CA GLU A 38 -5.719 -4.388 -0.021 1.00 0.00 C ATOM 540 C GLU A 38 -5.589 -2.949 0.468 1.00 0.00 C ATOM 541 O GLU A 38 -6.174 -2.031 -0.106 1.00 0.00 O ATOM 542 CB GLU A 38 -6.578 -5.195 0.955 1.00 0.00 C ATOM 543 CG GLU A 38 -7.229 -6.416 0.327 1.00 0.00 C ATOM 544 CD GLU A 38 -7.963 -6.089 -0.959 1.00 0.00 C ATOM 545 OE1 GLU A 38 -8.436 -4.941 -1.098 1.00 0.00 O ATOM 546 OE2 GLU A 38 -8.065 -6.981 -1.827 1.00 0.00 O ATOM 0 H GLU A 38 -4.371 -5.990 0.093 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.203 -4.379 -0.998 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.958 -5.515 1.793 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.355 -4.548 1.362 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.465 -7.167 0.124 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.928 -6.857 1.038 1.00 0.00 H new ATOM 553 N ALA A 39 -4.818 -2.760 1.534 1.00 0.00 N ATOM 554 CA ALA A 39 -4.609 -1.433 2.101 1.00 0.00 C ATOM 555 C ALA A 39 -4.021 -0.480 1.065 1.00 0.00 C ATOM 556 O ALA A 39 -4.423 0.680 0.978 1.00 0.00 O ATOM 557 CB ALA A 39 -3.702 -1.516 3.319 1.00 0.00 C ATOM 0 H ALA A 39 -4.328 -3.509 2.022 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.578 -1.040 2.410 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.555 -0.518 3.732 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.162 -2.156 4.072 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.738 -1.934 3.027 1.00 0.00 H new ATOM 563 N ARG A 40 -3.069 -0.977 0.284 1.00 0.00 N ATOM 564 CA ARG A 40 -2.424 -0.169 -0.744 1.00 0.00 C ATOM 565 C ARG A 40 -3.435 0.280 -1.796 1.00 0.00 C ATOM 566 O ARG A 40 -3.394 1.418 -2.263 1.00 0.00 O ATOM 567 CB ARG A 40 -1.296 -0.958 -1.411 1.00 0.00 C ATOM 568 CG ARG A 40 -0.287 -0.083 -2.137 1.00 0.00 C ATOM 569 CD ARG A 40 0.861 -0.905 -2.700 1.00 0.00 C ATOM 570 NE ARG A 40 0.592 -1.360 -4.062 1.00 0.00 N ATOM 571 CZ ARG A 40 0.824 -0.622 -5.142 1.00 0.00 C ATOM 572 NH1 ARG A 40 1.327 0.598 -5.020 1.00 0.00 N ATOM 573 NH2 ARG A 40 0.553 -1.105 -6.348 1.00 0.00 N ATOM 0 H ARG A 40 -2.727 -1.936 0.343 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.005 0.716 -0.265 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.777 -1.544 -0.653 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.728 -1.664 -2.120 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.784 0.452 -2.946 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.104 0.668 -1.451 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.773 -0.308 -2.691 1.00 0.00 H new ATOM 0 HD3 ARG A 40 1.038 -1.768 -2.058 1.00 0.00 H new ATOM 0 HE ARG A 40 0.205 -2.295 -4.191 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.537 0.973 -4.095 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.504 1.162 -5.851 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.166 -2.044 -6.446 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.731 -0.538 -7.177 1.00 0.00 H new ATOM 587 N GLN A 41 -4.341 -0.622 -2.162 1.00 0.00 N ATOM 588 CA GLN A 41 -5.361 -0.318 -3.158 1.00 0.00 C ATOM 589 C GLN A 41 -6.297 0.779 -2.662 1.00 0.00 C ATOM 590 O GLN A 41 -6.524 1.774 -3.352 1.00 0.00 O ATOM 591 CB GLN A 41 -6.164 -1.575 -3.496 1.00 0.00 C ATOM 592 CG GLN A 41 -5.506 -2.452 -4.550 1.00 0.00 C ATOM 593 CD GLN A 41 -5.930 -2.087 -5.959 1.00 0.00 C ATOM 594 OE1 GLN A 41 -6.881 -1.331 -6.158 1.00 0.00 O ATOM 595 NE2 GLN A 41 -5.224 -2.624 -6.948 1.00 0.00 N ATOM 0 H GLN A 41 -4.389 -1.568 -1.784 1.00 0.00 H new ATOM 0 HA GLN A 41 -4.859 0.037 -4.058 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.308 -2.159 -2.587 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.153 -1.281 -3.846 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.423 -2.364 -4.466 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.757 -3.495 -4.358 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.443 -3.246 -6.738 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.463 -2.415 -7.917 1.00 0.00 H new ATOM 604 N PHE A 42 -6.837 0.592 -1.463 1.00 0.00 N ATOM 605 CA PHE A 42 -7.750 1.565 -0.875 1.00 0.00 C ATOM 606 C PHE A 42 -7.076 2.927 -0.734 1.00 0.00 C ATOM 607 O PHE A 42 -7.608 3.944 -1.180 1.00 0.00 O ATOM 608 CB PHE A 42 -8.235 1.080 0.493 1.00 0.00 C ATOM 609 CG PHE A 42 -8.952 2.136 1.284 1.00 0.00 C ATOM 610 CD1 PHE A 42 -10.237 2.525 0.941 1.00 0.00 C ATOM 611 CD2 PHE A 42 -8.340 2.742 2.370 1.00 0.00 C ATOM 612 CE1 PHE A 42 -10.900 3.496 1.668 1.00 0.00 C ATOM 613 CE2 PHE A 42 -8.998 3.713 3.100 1.00 0.00 C ATOM 614 CZ PHE A 42 -10.279 4.092 2.748 1.00 0.00 C ATOM 0 H PHE A 42 -6.658 -0.225 -0.879 1.00 0.00 H new ATOM 0 HA PHE A 42 -8.607 1.670 -1.540 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.900 0.228 0.353 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.380 0.725 1.068 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -10.726 2.064 0.096 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -7.338 2.452 2.649 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -11.902 3.788 1.392 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -8.511 4.176 3.946 1.00 0.00 H new ATOM 0 HZ PHE A 42 -10.794 4.853 3.316 1.00 0.00 H new ATOM 624 N ALA A 43 -5.902 2.938 -0.111 1.00 0.00 N ATOM 625 CA ALA A 43 -5.154 4.173 0.088 1.00 0.00 C ATOM 626 C ALA A 43 -4.994 4.934 -1.224 1.00 0.00 C ATOM 627 O ALA A 43 -5.137 6.156 -1.265 1.00 0.00 O ATOM 628 CB ALA A 43 -3.793 3.874 0.697 1.00 0.00 C ATOM 0 H ALA A 43 -5.448 2.105 0.265 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.716 4.803 0.777 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.246 4.806 0.840 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.926 3.380 1.659 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.231 3.222 0.029 1.00 0.00 H new ATOM 634 N ALA A 44 -4.694 4.205 -2.293 1.00 0.00 N ATOM 635 CA ALA A 44 -4.515 4.812 -3.606 1.00 0.00 C ATOM 636 C ALA A 44 -5.773 5.554 -4.044 1.00 0.00 C ATOM 637 O ALA A 44 -5.695 6.594 -4.697 1.00 0.00 O ATOM 638 CB ALA A 44 -4.141 3.751 -4.631 1.00 0.00 C ATOM 0 H ALA A 44 -4.570 3.193 -2.276 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.704 5.537 -3.537 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.010 4.218 -5.607 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.210 3.268 -4.332 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.934 3.005 -4.689 1.00 0.00 H new ATOM 644 N GLN A 45 -6.931 5.012 -3.681 1.00 0.00 N ATOM 645 CA GLN A 45 -8.205 5.623 -4.039 1.00 0.00 C ATOM 646 C GLN A 45 -8.511 6.813 -3.136 1.00 0.00 C ATOM 647 O GLN A 45 -9.030 7.834 -3.590 1.00 0.00 O ATOM 648 CB GLN A 45 -9.333 4.593 -3.944 1.00 0.00 C ATOM 649 CG GLN A 45 -9.578 3.838 -5.240 1.00 0.00 C ATOM 650 CD GLN A 45 -10.401 4.634 -6.233 1.00 0.00 C ATOM 651 OE1 GLN A 45 -9.869 5.454 -6.981 1.00 0.00 O ATOM 652 NE2 GLN A 45 -11.707 4.395 -6.246 1.00 0.00 N ATOM 0 H GLN A 45 -7.013 4.151 -3.140 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.132 5.979 -5.067 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -9.096 3.878 -3.156 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -10.252 5.099 -3.649 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.620 3.580 -5.692 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -10.089 2.901 -5.019 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -12.106 3.706 -5.608 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -12.311 4.900 -6.894 1.00 0.00 H new ATOM 661 N THR A 46 -8.185 6.677 -1.854 1.00 0.00 N ATOM 662 CA THR A 46 -8.425 7.740 -0.887 1.00 0.00 C ATOM 663 C THR A 46 -7.657 9.004 -1.257 1.00 0.00 C ATOM 664 O THR A 46 -8.206 10.106 -1.233 1.00 0.00 O ATOM 665 CB THR A 46 -8.024 7.307 0.536 1.00 0.00 C ATOM 666 OG1 THR A 46 -8.745 6.128 0.911 1.00 0.00 O ATOM 667 CG2 THR A 46 -8.301 8.418 1.538 1.00 0.00 C ATOM 0 H THR A 46 -7.754 5.840 -1.462 1.00 0.00 H new ATOM 0 HA THR A 46 -9.495 7.949 -0.907 1.00 0.00 H new ATOM 0 HB THR A 46 -6.955 7.095 0.540 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.362 5.758 1.734 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.010 8.089 2.536 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.728 9.304 1.266 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.364 8.658 1.531 1.00 0.00 H new ATOM 675 N VAL A 47 -6.384 8.838 -1.600 1.00 0.00 N ATOM 676 CA VAL A 47 -5.540 9.966 -1.977 1.00 0.00 C ATOM 677 C VAL A 47 -5.711 10.310 -3.452 1.00 0.00 C ATOM 678 O VAL A 47 -5.448 11.437 -3.872 1.00 0.00 O ATOM 679 CB VAL A 47 -4.054 9.673 -1.698 1.00 0.00 C ATOM 680 CG1 VAL A 47 -3.826 9.432 -0.214 1.00 0.00 C ATOM 681 CG2 VAL A 47 -3.583 8.481 -2.518 1.00 0.00 C ATOM 0 H VAL A 47 -5.914 7.933 -1.625 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.855 10.815 -1.370 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.469 10.543 -1.994 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.770 9.227 -0.037 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.123 10.317 0.348 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.421 8.579 0.112 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.531 8.288 -2.308 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.172 7.603 -2.255 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.708 8.697 -3.579 1.00 0.00 H new ATOM 691 N GLY A 48 -6.154 9.332 -4.236 1.00 0.00 N ATOM 692 CA GLY A 48 -6.353 9.552 -5.657 1.00 0.00 C ATOM 693 C GLY A 48 -5.067 9.916 -6.372 1.00 0.00 C ATOM 694 O GLY A 48 -3.978 9.553 -5.930 1.00 0.00 O ATOM 0 H GLY A 48 -6.379 8.391 -3.913 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.773 8.652 -6.106 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -7.083 10.349 -5.800 1.00 0.00 H new ATOM 698 N ASN A 49 -5.194 10.635 -7.483 1.00 0.00 N ATOM 699 CA ASN A 49 -4.033 11.046 -8.264 1.00 0.00 C ATOM 700 C ASN A 49 -3.419 12.322 -7.694 1.00 0.00 C ATOM 701 O ASN A 49 -3.090 13.250 -8.433 1.00 0.00 O ATOM 702 CB ASN A 49 -4.426 11.266 -9.726 1.00 0.00 C ATOM 703 CG ASN A 49 -5.236 12.532 -9.923 1.00 0.00 C ATOM 704 OD1 ASN A 49 -6.189 12.794 -9.188 1.00 0.00 O ATOM 705 ND2 ASN A 49 -4.860 13.326 -10.919 1.00 0.00 N ATOM 0 H ASN A 49 -6.089 10.945 -7.862 1.00 0.00 H new ATOM 0 HA ASN A 49 -3.291 10.250 -8.211 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.525 11.315 -10.338 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -5.003 10.410 -10.077 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.367 14.192 -11.100 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.064 13.069 -11.503 1.00 0.00 H new ATOM 712 N THR A 50 -3.266 12.360 -6.374 1.00 0.00 N ATOM 713 CA THR A 50 -2.693 13.520 -5.704 1.00 0.00 C ATOM 714 C THR A 50 -1.201 13.330 -5.455 1.00 0.00 C ATOM 715 O THR A 50 -0.415 14.269 -5.582 1.00 0.00 O ATOM 716 CB THR A 50 -3.395 13.798 -4.361 1.00 0.00 C ATOM 717 OG1 THR A 50 -4.804 13.944 -4.566 1.00 0.00 O ATOM 718 CG2 THR A 50 -2.839 15.055 -3.710 1.00 0.00 C ATOM 0 H THR A 50 -3.531 11.600 -5.748 1.00 0.00 H new ATOM 0 HA THR A 50 -2.842 14.373 -6.366 1.00 0.00 H new ATOM 0 HB THR A 50 -3.211 12.953 -3.698 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.275 13.197 -4.141 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.350 15.231 -2.763 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.772 14.929 -3.528 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.996 15.907 -4.371 1.00 0.00 H new ATOM 726 N TYR A 51 -0.817 12.109 -5.100 1.00 0.00 N ATOM 727 CA TYR A 51 0.582 11.796 -4.831 1.00 0.00 C ATOM 728 C TYR A 51 1.177 10.953 -5.955 1.00 0.00 C ATOM 729 O TYR A 51 2.342 11.114 -6.316 1.00 0.00 O ATOM 730 CB TYR A 51 0.713 11.055 -3.499 1.00 0.00 C ATOM 731 CG TYR A 51 -0.023 11.723 -2.360 1.00 0.00 C ATOM 732 CD1 TYR A 51 -1.411 11.790 -2.347 1.00 0.00 C ATOM 733 CD2 TYR A 51 0.670 12.288 -1.295 1.00 0.00 C ATOM 734 CE1 TYR A 51 -2.087 12.400 -1.308 1.00 0.00 C ATOM 735 CE2 TYR A 51 0.001 12.898 -0.252 1.00 0.00 C ATOM 736 CZ TYR A 51 -1.377 12.952 -0.263 1.00 0.00 C ATOM 737 OH TYR A 51 -2.047 13.560 0.774 1.00 0.00 O ATOM 0 H TYR A 51 -1.454 11.320 -4.992 1.00 0.00 H new ATOM 0 HA TYR A 51 1.134 12.734 -4.773 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.335 10.040 -3.619 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.769 10.974 -3.240 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.971 11.358 -3.163 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.749 12.249 -1.283 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -3.166 12.444 -1.314 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.554 13.331 0.568 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.416 13.768 1.494 1.00 0.00 H new ATOM 747 N GLY A 52 0.367 10.053 -6.504 1.00 0.00 N ATOM 748 CA GLY A 52 0.830 9.198 -7.581 1.00 0.00 C ATOM 749 C GLY A 52 1.238 7.822 -7.095 1.00 0.00 C ATOM 750 O GLY A 52 0.582 7.241 -6.231 1.00 0.00 O ATOM 0 H GLY A 52 -0.601 9.901 -6.222 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.040 9.097 -8.326 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.678 9.671 -8.077 1.00 0.00 H new ATOM 754 N ASN A 53 2.325 7.297 -7.651 1.00 0.00 N ATOM 755 CA ASN A 53 2.819 5.979 -7.270 1.00 0.00 C ATOM 756 C ASN A 53 3.558 6.040 -5.937 1.00 0.00 C ATOM 757 O ASN A 53 4.760 6.304 -5.892 1.00 0.00 O ATOM 758 CB ASN A 53 3.745 5.425 -8.355 1.00 0.00 C ATOM 759 CG ASN A 53 4.172 3.997 -8.077 1.00 0.00 C ATOM 760 OD1 ASN A 53 3.436 3.227 -7.459 1.00 0.00 O ATOM 761 ND2 ASN A 53 5.365 3.636 -8.534 1.00 0.00 N ATOM 0 H ASN A 53 2.881 7.764 -8.367 1.00 0.00 H new ATOM 0 HA ASN A 53 1.962 5.315 -7.160 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.238 5.468 -9.319 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.629 6.057 -8.432 1.00 0.00 H new ATOM 0 HD21 ASN A 53 5.705 2.687 -8.378 1.00 0.00 H new ATOM 0 HD22 ASN A 53 5.941 4.307 -9.041 1.00 0.00 H new ATOM 768 N PHE A 54 2.831 5.793 -4.852 1.00 0.00 N ATOM 769 CA PHE A 54 3.417 5.820 -3.517 1.00 0.00 C ATOM 770 C PHE A 54 3.598 4.405 -2.974 1.00 0.00 C ATOM 771 O PHE A 54 3.159 3.432 -3.587 1.00 0.00 O ATOM 772 CB PHE A 54 2.537 6.634 -2.567 1.00 0.00 C ATOM 773 CG PHE A 54 1.164 6.056 -2.378 1.00 0.00 C ATOM 774 CD1 PHE A 54 0.982 4.893 -1.647 1.00 0.00 C ATOM 775 CD2 PHE A 54 0.055 6.675 -2.933 1.00 0.00 C ATOM 776 CE1 PHE A 54 -0.281 4.358 -1.471 1.00 0.00 C ATOM 777 CE2 PHE A 54 -1.210 6.145 -2.760 1.00 0.00 C ATOM 778 CZ PHE A 54 -1.378 4.985 -2.029 1.00 0.00 C ATOM 0 H PHE A 54 1.835 5.572 -4.871 1.00 0.00 H new ATOM 0 HA PHE A 54 4.397 6.292 -3.587 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.030 6.703 -1.597 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.445 7.650 -2.951 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.837 4.398 -1.210 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.181 7.581 -3.507 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.409 3.451 -0.898 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -2.066 6.638 -3.196 1.00 0.00 H new ATOM 0 HZ PHE A 54 -2.365 4.569 -1.894 1.00 0.00 H new ATOM 788 N SER A 55 4.249 4.299 -1.820 1.00 0.00 N ATOM 789 CA SER A 55 4.493 3.004 -1.195 1.00 0.00 C ATOM 790 C SER A 55 4.099 3.029 0.278 1.00 0.00 C ATOM 791 O SER A 55 3.896 4.095 0.861 1.00 0.00 O ATOM 792 CB SER A 55 5.966 2.616 -1.335 1.00 0.00 C ATOM 793 OG SER A 55 6.198 1.925 -2.550 1.00 0.00 O ATOM 0 H SER A 55 4.617 5.095 -1.299 1.00 0.00 H new ATOM 0 HA SER A 55 3.879 2.261 -1.704 1.00 0.00 H new ATOM 0 HB2 SER A 55 6.586 3.512 -1.298 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.262 1.989 -0.494 1.00 0.00 H new ATOM 0 HG SER A 55 7.147 1.690 -2.616 1.00 0.00 H new ATOM 799 N LEU A 56 3.994 1.847 0.876 1.00 0.00 N ATOM 800 CA LEU A 56 3.625 1.731 2.282 1.00 0.00 C ATOM 801 C LEU A 56 4.775 1.155 3.102 1.00 0.00 C ATOM 802 O LEU A 56 5.523 0.302 2.625 1.00 0.00 O ATOM 803 CB LEU A 56 2.384 0.849 2.433 1.00 0.00 C ATOM 804 CG LEU A 56 1.086 1.412 1.854 1.00 0.00 C ATOM 805 CD1 LEU A 56 -0.048 0.411 2.014 1.00 0.00 C ATOM 806 CD2 LEU A 56 0.732 2.732 2.522 1.00 0.00 C ATOM 0 H LEU A 56 4.159 0.956 0.409 1.00 0.00 H new ATOM 0 HA LEU A 56 3.401 2.730 2.657 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.585 -0.111 1.957 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.230 0.652 3.494 1.00 0.00 H new ATOM 0 HG LEU A 56 1.235 1.595 0.790 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.964 0.829 1.596 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.203 -0.510 1.488 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.197 0.196 3.072 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.195 3.118 2.097 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.602 2.575 3.593 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.534 3.451 2.355 1.00 0.00 H new ATOM 818 N ALA A 57 4.909 1.626 4.337 1.00 0.00 N ATOM 819 CA ALA A 57 5.965 1.155 5.224 1.00 0.00 C ATOM 820 C ALA A 57 5.530 1.230 6.684 1.00 0.00 C ATOM 821 O ALA A 57 4.553 1.900 7.018 1.00 0.00 O ATOM 822 CB ALA A 57 7.236 1.963 5.008 1.00 0.00 C ATOM 0 H ALA A 57 4.299 2.334 4.746 1.00 0.00 H new ATOM 0 HA ALA A 57 6.167 0.111 4.985 1.00 0.00 H new ATOM 0 HB1 ALA A 57 8.016 1.600 5.677 1.00 0.00 H new ATOM 0 HB2 ALA A 57 7.565 1.854 3.975 1.00 0.00 H new ATOM 0 HB3 ALA A 57 7.039 3.014 5.217 1.00 0.00 H new ATOM 828 N THR A 58 6.262 0.537 7.551 1.00 0.00 N ATOM 829 CA THR A 58 5.951 0.524 8.975 1.00 0.00 C ATOM 830 C THR A 58 6.306 1.855 9.628 1.00 0.00 C ATOM 831 O THR A 58 6.717 2.798 8.952 1.00 0.00 O ATOM 832 CB THR A 58 6.701 -0.608 9.703 1.00 0.00 C ATOM 833 OG1 THR A 58 8.105 -0.514 9.440 1.00 0.00 O ATOM 834 CG2 THR A 58 6.187 -1.969 9.260 1.00 0.00 C ATOM 0 H THR A 58 7.074 -0.023 7.292 1.00 0.00 H new ATOM 0 HA THR A 58 4.878 0.355 9.063 1.00 0.00 H new ATOM 0 HB THR A 58 6.525 -0.501 10.773 1.00 0.00 H new ATOM 0 HG1 THR A 58 8.272 0.221 8.814 1.00 0.00 H new ATOM 0 HG21 THR A 58 6.731 -2.753 9.787 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.124 -2.049 9.488 1.00 0.00 H new ATOM 0 HG23 THR A 58 6.337 -2.083 8.186 1.00 0.00 H new ATOM 842 N MET A 59 6.145 1.924 10.945 1.00 0.00 N ATOM 843 CA MET A 59 6.451 3.140 11.689 1.00 0.00 C ATOM 844 C MET A 59 7.550 2.888 12.716 1.00 0.00 C ATOM 845 O MET A 59 8.510 3.653 12.814 1.00 0.00 O ATOM 846 CB MET A 59 5.195 3.666 12.388 1.00 0.00 C ATOM 847 CG MET A 59 4.393 4.641 11.542 1.00 0.00 C ATOM 848 SD MET A 59 4.960 6.343 11.719 1.00 0.00 S ATOM 849 CE MET A 59 4.788 6.576 13.486 1.00 0.00 C ATOM 0 H MET A 59 5.805 1.153 11.519 1.00 0.00 H new ATOM 0 HA MET A 59 6.805 3.889 10.981 1.00 0.00 H new ATOM 0 HB2 MET A 59 4.559 2.823 12.658 1.00 0.00 H new ATOM 0 HB3 MET A 59 5.485 4.157 13.317 1.00 0.00 H new ATOM 0 HG2 MET A 59 4.459 4.347 10.494 1.00 0.00 H new ATOM 0 HG3 MET A 59 3.342 4.581 11.824 1.00 0.00 H new ATOM 0 HE1 MET A 59 4.556 7.620 13.694 1.00 0.00 H new ATOM 0 HE2 MET A 59 3.982 5.944 13.860 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.721 6.306 13.981 1.00 0.00 H new ATOM 859 N PHE A 60 7.404 1.810 13.480 1.00 0.00 N ATOM 860 CA PHE A 60 8.384 1.458 14.500 1.00 0.00 C ATOM 861 C PHE A 60 9.647 0.882 13.866 1.00 0.00 C ATOM 862 O PHE A 60 10.721 1.482 13.904 1.00 0.00 O ATOM 863 CB PHE A 60 7.788 0.448 15.483 1.00 0.00 C ATOM 864 CG PHE A 60 7.233 1.080 16.728 1.00 0.00 C ATOM 865 CD1 PHE A 60 8.071 1.448 17.768 1.00 0.00 C ATOM 866 CD2 PHE A 60 5.872 1.306 16.858 1.00 0.00 C ATOM 867 CE1 PHE A 60 7.563 2.030 18.914 1.00 0.00 C ATOM 868 CE2 PHE A 60 5.358 1.888 18.001 1.00 0.00 C ATOM 869 CZ PHE A 60 6.205 2.249 19.031 1.00 0.00 C ATOM 0 H PHE A 60 6.616 1.166 13.412 1.00 0.00 H new ATOM 0 HA PHE A 60 8.651 2.367 15.040 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.995 -0.109 14.983 1.00 0.00 H new ATOM 0 HB3 PHE A 60 8.557 -0.272 15.762 1.00 0.00 H new ATOM 0 HD1 PHE A 60 9.134 1.278 17.682 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.205 1.024 16.057 1.00 0.00 H new ATOM 0 HE1 PHE A 60 8.228 2.313 19.717 1.00 0.00 H new ATOM 0 HE2 PHE A 60 4.295 2.060 18.089 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.805 2.702 19.926 1.00 0.00 H new ATOM 879 N PRO A 61 9.516 -0.312 13.268 1.00 0.00 N ATOM 880 CA PRO A 61 10.636 -0.996 12.614 1.00 0.00 C ATOM 881 C PRO A 61 11.076 -0.294 11.334 1.00 0.00 C ATOM 882 O PRO A 61 12.122 -0.613 10.769 1.00 0.00 O ATOM 883 CB PRO A 61 10.067 -2.382 12.296 1.00 0.00 C ATOM 884 CG PRO A 61 8.595 -2.174 12.201 1.00 0.00 C ATOM 885 CD PRO A 61 8.266 -1.085 13.185 1.00 0.00 C ATOM 0 HA PRO A 61 11.525 -1.019 13.245 1.00 0.00 H new ATOM 0 HB2 PRO A 61 10.473 -2.772 11.363 1.00 0.00 H new ATOM 0 HB3 PRO A 61 10.316 -3.101 13.077 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.306 -1.887 11.190 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.055 -3.091 12.439 1.00 0.00 H new ATOM 0 HD2 PRO A 61 7.435 -0.470 12.840 1.00 0.00 H new ATOM 0 HD3 PRO A 61 7.980 -1.492 14.155 1.00 0.00 H new ATOM 893 N ARG A 62 10.272 0.663 10.883 1.00 0.00 N ATOM 894 CA ARG A 62 10.579 1.410 9.669 1.00 0.00 C ATOM 895 C ARG A 62 11.245 0.510 8.631 1.00 0.00 C ATOM 896 O ARG A 62 12.329 0.816 8.134 1.00 0.00 O ATOM 897 CB ARG A 62 11.490 2.595 9.991 1.00 0.00 C ATOM 898 CG ARG A 62 11.308 3.776 9.052 1.00 0.00 C ATOM 899 CD ARG A 62 11.985 3.533 7.712 1.00 0.00 C ATOM 900 NE ARG A 62 12.368 4.781 7.057 1.00 0.00 N ATOM 901 CZ ARG A 62 13.305 4.861 6.119 1.00 0.00 C ATOM 902 NH1 ARG A 62 13.952 3.772 5.728 1.00 0.00 N ATOM 903 NH2 ARG A 62 13.596 6.034 5.570 1.00 0.00 N ATOM 0 H ARG A 62 9.403 0.939 11.340 1.00 0.00 H new ATOM 0 HA ARG A 62 9.642 1.783 9.255 1.00 0.00 H new ATOM 0 HB2 ARG A 62 11.299 2.922 11.013 1.00 0.00 H new ATOM 0 HB3 ARG A 62 12.528 2.266 9.950 1.00 0.00 H new ATOM 0 HG2 ARG A 62 10.245 3.957 8.896 1.00 0.00 H new ATOM 0 HG3 ARG A 62 11.720 4.674 9.511 1.00 0.00 H new ATOM 0 HD2 ARG A 62 12.871 2.915 7.860 1.00 0.00 H new ATOM 0 HD3 ARG A 62 11.312 2.974 7.062 1.00 0.00 H new ATOM 0 HE ARG A 62 11.890 5.638 7.335 1.00 0.00 H new ATOM 0 HH11 ARG A 62 13.731 2.869 6.148 1.00 0.00 H new ATOM 0 HH12 ARG A 62 14.671 3.837 5.007 1.00 0.00 H new ATOM 0 HH21 ARG A 62 13.100 6.874 5.868 1.00 0.00 H new ATOM 0 HH22 ARG A 62 14.316 6.095 4.850 1.00 0.00 H new ATOM 917 N ARG A 63 10.588 -0.600 8.310 1.00 0.00 N ATOM 918 CA ARG A 63 11.117 -1.544 7.333 1.00 0.00 C ATOM 919 C ARG A 63 10.254 -1.564 6.074 1.00 0.00 C ATOM 920 O ARG A 63 9.064 -1.873 6.131 1.00 0.00 O ATOM 921 CB ARG A 63 11.189 -2.948 7.936 1.00 0.00 C ATOM 922 CG ARG A 63 12.308 -3.801 7.361 1.00 0.00 C ATOM 923 CD ARG A 63 12.611 -4.996 8.251 1.00 0.00 C ATOM 924 NE ARG A 63 13.843 -5.674 7.856 1.00 0.00 N ATOM 925 CZ ARG A 63 13.934 -6.480 6.805 1.00 0.00 C ATOM 926 NH1 ARG A 63 12.870 -6.708 6.046 1.00 0.00 N ATOM 927 NH2 ARG A 63 15.090 -7.061 6.510 1.00 0.00 N ATOM 0 H ARG A 63 9.689 -0.867 8.712 1.00 0.00 H new ATOM 0 HA ARG A 63 12.122 -1.221 7.060 1.00 0.00 H new ATOM 0 HB2 ARG A 63 11.325 -2.865 9.014 1.00 0.00 H new ATOM 0 HB3 ARG A 63 10.237 -3.454 7.773 1.00 0.00 H new ATOM 0 HG2 ARG A 63 12.028 -4.148 6.367 1.00 0.00 H new ATOM 0 HG3 ARG A 63 13.206 -3.195 7.246 1.00 0.00 H new ATOM 0 HD2 ARG A 63 12.695 -4.665 9.286 1.00 0.00 H new ATOM 0 HD3 ARG A 63 11.780 -5.700 8.208 1.00 0.00 H new ATOM 0 HE ARG A 63 14.680 -5.520 8.419 1.00 0.00 H new ATOM 0 HH11 ARG A 63 11.979 -6.264 6.269 1.00 0.00 H new ATOM 0 HH12 ARG A 63 12.943 -7.328 5.239 1.00 0.00 H new ATOM 0 HH21 ARG A 63 15.910 -6.889 7.091 1.00 0.00 H new ATOM 0 HH22 ARG A 63 15.158 -7.680 5.702 1.00 0.00 H new ATOM 941 N GLU A 64 10.863 -1.232 4.940 1.00 0.00 N ATOM 942 CA GLU A 64 10.150 -1.211 3.668 1.00 0.00 C ATOM 943 C GLU A 64 9.621 -2.599 3.318 1.00 0.00 C ATOM 944 O GLU A 64 10.383 -3.486 2.931 1.00 0.00 O ATOM 945 CB GLU A 64 11.066 -0.706 2.552 1.00 0.00 C ATOM 946 CG GLU A 64 10.318 -0.083 1.386 1.00 0.00 C ATOM 947 CD GLU A 64 11.248 0.430 0.303 1.00 0.00 C ATOM 948 OE1 GLU A 64 12.060 -0.369 -0.209 1.00 0.00 O ATOM 949 OE2 GLU A 64 11.163 1.630 -0.032 1.00 0.00 O ATOM 0 H GLU A 64 11.848 -0.974 4.876 1.00 0.00 H new ATOM 0 HA GLU A 64 9.303 -0.532 3.767 1.00 0.00 H new ATOM 0 HB2 GLU A 64 11.756 0.030 2.965 1.00 0.00 H new ATOM 0 HB3 GLU A 64 11.668 -1.537 2.184 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.640 -0.822 0.958 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.703 0.740 1.751 1.00 0.00 H new ATOM 956 N PHE A 65 8.312 -2.780 3.457 1.00 0.00 N ATOM 957 CA PHE A 65 7.681 -4.060 3.157 1.00 0.00 C ATOM 958 C PHE A 65 8.271 -4.674 1.891 1.00 0.00 C ATOM 959 O PHE A 65 8.897 -3.984 1.085 1.00 0.00 O ATOM 960 CB PHE A 65 6.170 -3.883 2.995 1.00 0.00 C ATOM 961 CG PHE A 65 5.448 -3.678 4.296 1.00 0.00 C ATOM 962 CD1 PHE A 65 5.280 -4.728 5.184 1.00 0.00 C ATOM 963 CD2 PHE A 65 4.937 -2.434 4.632 1.00 0.00 C ATOM 964 CE1 PHE A 65 4.615 -4.542 6.381 1.00 0.00 C ATOM 965 CE2 PHE A 65 4.272 -2.242 5.828 1.00 0.00 C ATOM 966 CZ PHE A 65 4.112 -3.298 6.704 1.00 0.00 C ATOM 0 H PHE A 65 7.667 -2.056 3.775 1.00 0.00 H new ATOM 0 HA PHE A 65 7.873 -4.735 3.991 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.980 -3.029 2.345 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.761 -4.761 2.496 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.673 -5.703 4.938 1.00 0.00 H new ATOM 0 HD2 PHE A 65 5.060 -1.605 3.951 1.00 0.00 H new ATOM 0 HE1 PHE A 65 4.489 -5.370 7.063 1.00 0.00 H new ATOM 0 HE2 PHE A 65 3.878 -1.268 6.077 1.00 0.00 H new ATOM 0 HZ PHE A 65 3.594 -3.150 7.640 1.00 0.00 H new ATOM 976 N THR A 66 8.067 -5.977 1.721 1.00 0.00 N ATOM 977 CA THR A 66 8.579 -6.685 0.555 1.00 0.00 C ATOM 978 C THR A 66 7.446 -7.304 -0.254 1.00 0.00 C ATOM 979 O THR A 66 6.397 -7.650 0.292 1.00 0.00 O ATOM 980 CB THR A 66 9.570 -7.792 0.960 1.00 0.00 C ATOM 981 OG1 THR A 66 10.040 -8.480 -0.205 1.00 0.00 O ATOM 982 CG2 THR A 66 8.915 -8.783 1.911 1.00 0.00 C ATOM 0 H THR A 66 7.550 -6.563 2.377 1.00 0.00 H new ATOM 0 HA THR A 66 9.099 -5.949 -0.058 1.00 0.00 H new ATOM 0 HB THR A 66 10.413 -7.326 1.470 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.671 -9.181 0.061 1.00 0.00 H new ATOM 0 HG21 THR A 66 9.634 -9.556 2.183 1.00 0.00 H new ATOM 0 HG22 THR A 66 8.585 -8.261 2.809 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.056 -9.243 1.422 1.00 0.00 H new ATOM 990 N ARG A 67 7.662 -7.443 -1.558 1.00 0.00 N ATOM 991 CA ARG A 67 6.657 -8.021 -2.442 1.00 0.00 C ATOM 992 C ARG A 67 5.920 -9.165 -1.753 1.00 0.00 C ATOM 993 O ARG A 67 4.700 -9.284 -1.861 1.00 0.00 O ATOM 994 CB ARG A 67 7.310 -8.524 -3.731 1.00 0.00 C ATOM 995 CG ARG A 67 7.596 -7.422 -4.738 1.00 0.00 C ATOM 996 CD ARG A 67 8.623 -7.864 -5.770 1.00 0.00 C ATOM 997 NE ARG A 67 7.998 -8.501 -6.926 1.00 0.00 N ATOM 998 CZ ARG A 67 7.422 -7.826 -7.914 1.00 0.00 C ATOM 999 NH1 ARG A 67 7.391 -6.501 -7.888 1.00 0.00 N ATOM 1000 NH2 ARG A 67 6.874 -8.477 -8.933 1.00 0.00 N ATOM 0 H ARG A 67 8.524 -7.163 -2.026 1.00 0.00 H new ATOM 0 HA ARG A 67 5.935 -7.243 -2.688 1.00 0.00 H new ATOM 0 HB2 ARG A 67 8.243 -9.029 -3.483 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.659 -9.267 -4.193 1.00 0.00 H new ATOM 0 HG2 ARG A 67 6.672 -7.138 -5.241 1.00 0.00 H new ATOM 0 HG3 ARG A 67 7.960 -6.537 -4.217 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.200 -7.000 -6.100 1.00 0.00 H new ATOM 0 HD3 ARG A 67 9.325 -8.559 -5.309 1.00 0.00 H new ATOM 0 HE ARG A 67 8.004 -9.520 -6.977 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.811 -5.996 -7.107 1.00 0.00 H new ATOM 0 HH12 ARG A 67 6.948 -5.986 -8.649 1.00 0.00 H new ATOM 0 HH21 ARG A 67 6.895 -9.496 -8.957 1.00 0.00 H new ATOM 0 HH22 ARG A 67 6.432 -7.958 -9.691 1.00 0.00 H new ATOM 1014 N GLU A 68 6.670 -10.004 -1.045 1.00 0.00 N ATOM 1015 CA GLU A 68 6.087 -11.140 -0.339 1.00 0.00 C ATOM 1016 C GLU A 68 5.113 -10.669 0.737 1.00 0.00 C ATOM 1017 O GLU A 68 3.990 -11.165 0.833 1.00 0.00 O ATOM 1018 CB GLU A 68 7.187 -11.996 0.291 1.00 0.00 C ATOM 1019 CG GLU A 68 7.724 -13.075 -0.634 1.00 0.00 C ATOM 1020 CD GLU A 68 8.748 -13.966 0.041 1.00 0.00 C ATOM 1021 OE1 GLU A 68 9.524 -13.452 0.874 1.00 0.00 O ATOM 1022 OE2 GLU A 68 8.774 -15.177 -0.263 1.00 0.00 O ATOM 0 H GLU A 68 7.682 -9.919 -0.945 1.00 0.00 H new ATOM 0 HA GLU A 68 5.538 -11.743 -1.062 1.00 0.00 H new ATOM 0 HB2 GLU A 68 8.009 -11.349 0.596 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.798 -12.465 1.195 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.896 -13.686 -0.992 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.176 -12.607 -1.508 1.00 0.00 H new ATOM 1029 N ASP A 69 5.552 -9.711 1.546 1.00 0.00 N ATOM 1030 CA ASP A 69 4.721 -9.173 2.616 1.00 0.00 C ATOM 1031 C ASP A 69 3.305 -8.900 2.119 1.00 0.00 C ATOM 1032 O ASP A 69 2.329 -9.134 2.832 1.00 0.00 O ATOM 1033 CB ASP A 69 5.336 -7.888 3.172 1.00 0.00 C ATOM 1034 CG ASP A 69 6.476 -8.161 4.134 1.00 0.00 C ATOM 1035 OD1 ASP A 69 6.564 -9.298 4.642 1.00 0.00 O ATOM 1036 OD2 ASP A 69 7.280 -7.237 4.378 1.00 0.00 O ATOM 0 H ASP A 69 6.479 -9.291 1.481 1.00 0.00 H new ATOM 0 HA ASP A 69 4.671 -9.916 3.412 1.00 0.00 H new ATOM 0 HB2 ASP A 69 5.700 -7.276 2.347 1.00 0.00 H new ATOM 0 HB3 ASP A 69 4.565 -7.310 3.682 1.00 0.00 H new ATOM 1041 N TYR A 70 3.200 -8.402 0.891 1.00 0.00 N ATOM 1042 CA TYR A 70 1.904 -8.093 0.300 1.00 0.00 C ATOM 1043 C TYR A 70 1.130 -9.370 -0.013 1.00 0.00 C ATOM 1044 O TYR A 70 -0.099 -9.400 0.059 1.00 0.00 O ATOM 1045 CB TYR A 70 2.085 -7.268 -0.976 1.00 0.00 C ATOM 1046 CG TYR A 70 2.458 -5.826 -0.716 1.00 0.00 C ATOM 1047 CD1 TYR A 70 1.589 -4.974 -0.045 1.00 0.00 C ATOM 1048 CD2 TYR A 70 3.677 -5.315 -1.142 1.00 0.00 C ATOM 1049 CE1 TYR A 70 1.924 -3.655 0.194 1.00 0.00 C ATOM 1050 CE2 TYR A 70 4.022 -3.998 -0.906 1.00 0.00 C ATOM 1051 CZ TYR A 70 3.142 -3.172 -0.238 1.00 0.00 C ATOM 1052 OH TYR A 70 3.481 -1.860 -0.002 1.00 0.00 O ATOM 0 H TYR A 70 3.997 -8.204 0.286 1.00 0.00 H new ATOM 0 HA TYR A 70 1.333 -7.511 1.023 1.00 0.00 H new ATOM 0 HB2 TYR A 70 2.858 -7.729 -1.591 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.160 -7.297 -1.552 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.635 -5.349 0.296 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.368 -5.958 -1.667 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.236 -3.006 0.716 1.00 0.00 H new ATOM 0 HE2 TYR A 70 4.975 -3.618 -1.243 1.00 0.00 H new ATOM 0 HH TYR A 70 4.372 -1.681 -0.369 1.00 0.00 H new ATOM 1062 N LYS A 71 1.858 -10.426 -0.361 1.00 0.00 N ATOM 1063 CA LYS A 71 1.244 -11.708 -0.684 1.00 0.00 C ATOM 1064 C LYS A 71 0.749 -12.407 0.578 1.00 0.00 C ATOM 1065 O LYS A 71 -0.121 -13.276 0.517 1.00 0.00 O ATOM 1066 CB LYS A 71 2.242 -12.605 -1.419 1.00 0.00 C ATOM 1067 CG LYS A 71 2.791 -11.988 -2.693 1.00 0.00 C ATOM 1068 CD LYS A 71 1.780 -12.055 -3.826 1.00 0.00 C ATOM 1069 CE LYS A 71 2.431 -11.775 -5.172 1.00 0.00 C ATOM 1070 NZ LYS A 71 1.739 -12.488 -6.281 1.00 0.00 N ATOM 0 H LYS A 71 2.876 -10.419 -0.427 1.00 0.00 H new ATOM 0 HA LYS A 71 0.389 -11.520 -1.333 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.071 -12.835 -0.750 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.757 -13.550 -1.663 1.00 0.00 H new ATOM 0 HG2 LYS A 71 3.062 -10.949 -2.507 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.703 -12.508 -2.987 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.316 -13.041 -3.843 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.984 -11.332 -3.648 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.418 -10.702 -5.366 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.477 -12.081 -5.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.212 -12.272 -7.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.773 -13.513 -6.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 0.747 -12.178 -6.328 1.00 0.00 H new ATOM 1084 N ARG A 72 1.307 -12.020 1.721 1.00 0.00 N ATOM 1085 CA ARG A 72 0.921 -12.610 2.997 1.00 0.00 C ATOM 1086 C ARG A 72 -0.229 -11.832 3.630 1.00 0.00 C ATOM 1087 O ARG A 72 -0.174 -10.608 3.745 1.00 0.00 O ATOM 1088 CB ARG A 72 2.117 -12.640 3.951 1.00 0.00 C ATOM 1089 CG ARG A 72 3.251 -13.535 3.478 1.00 0.00 C ATOM 1090 CD ARG A 72 4.551 -13.214 4.199 1.00 0.00 C ATOM 1091 NE ARG A 72 5.429 -14.378 4.289 1.00 0.00 N ATOM 1092 CZ ARG A 72 6.012 -14.942 3.236 1.00 0.00 C ATOM 1093 NH1 ARG A 72 5.812 -14.451 2.021 1.00 0.00 N ATOM 1094 NH2 ARG A 72 6.797 -15.999 3.399 1.00 0.00 N ATOM 0 H ARG A 72 2.027 -11.301 1.789 1.00 0.00 H new ATOM 0 HA ARG A 72 0.587 -13.631 2.811 1.00 0.00 H new ATOM 0 HB2 ARG A 72 2.495 -11.626 4.078 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.781 -12.980 4.931 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.987 -14.579 3.648 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.389 -13.412 2.404 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.067 -12.410 3.674 1.00 0.00 H new ATOM 0 HD3 ARG A 72 4.329 -12.849 5.202 1.00 0.00 H new ATOM 0 HE ARG A 72 5.604 -14.780 5.210 1.00 0.00 H new ATOM 0 HH11 ARG A 72 5.209 -13.638 1.892 1.00 0.00 H new ATOM 0 HH12 ARG A 72 6.261 -14.886 1.215 1.00 0.00 H new ATOM 0 HH21 ARG A 72 6.953 -16.379 4.333 1.00 0.00 H new ATOM 0 HH22 ARG A 72 7.244 -16.432 2.591 1.00 0.00 H new ATOM 1108 N ARG A 73 -1.269 -12.552 4.039 1.00 0.00 N ATOM 1109 CA ARG A 73 -2.432 -11.930 4.658 1.00 0.00 C ATOM 1110 C ARG A 73 -2.014 -11.028 5.816 1.00 0.00 C ATOM 1111 O ARG A 73 -1.023 -11.293 6.497 1.00 0.00 O ATOM 1112 CB ARG A 73 -3.405 -13.000 5.157 1.00 0.00 C ATOM 1113 CG ARG A 73 -4.004 -13.845 4.044 1.00 0.00 C ATOM 1114 CD ARG A 73 -5.339 -14.444 4.457 1.00 0.00 C ATOM 1115 NE ARG A 73 -5.652 -15.655 3.703 1.00 0.00 N ATOM 1116 CZ ARG A 73 -6.067 -15.649 2.441 1.00 0.00 C ATOM 1117 NH1 ARG A 73 -6.219 -14.501 1.796 1.00 0.00 N ATOM 1118 NH2 ARG A 73 -6.332 -16.792 1.822 1.00 0.00 N ATOM 0 H ARG A 73 -1.329 -13.567 3.952 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.930 -11.319 3.905 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.885 -13.653 5.858 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.211 -12.517 5.709 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.139 -13.232 3.153 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.312 -14.644 3.779 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.319 -14.675 5.522 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -6.129 -13.708 4.306 1.00 0.00 H new ATOM 0 HE ARG A 73 -5.546 -16.555 4.171 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.017 -13.620 2.269 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -6.538 -14.499 0.827 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -6.217 -17.678 2.315 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -6.651 -16.785 0.853 1.00 0.00 H new ATOM 1132 N LEU A 74 -2.776 -9.961 6.033 1.00 0.00 N ATOM 1133 CA LEU A 74 -2.485 -9.019 7.108 1.00 0.00 C ATOM 1134 C LEU A 74 -2.180 -9.755 8.409 1.00 0.00 C ATOM 1135 O LEU A 74 -1.068 -9.674 8.934 1.00 0.00 O ATOM 1136 CB LEU A 74 -3.666 -8.068 7.312 1.00 0.00 C ATOM 1137 CG LEU A 74 -3.790 -6.926 6.302 1.00 0.00 C ATOM 1138 CD1 LEU A 74 -5.219 -6.409 6.255 1.00 0.00 C ATOM 1139 CD2 LEU A 74 -2.825 -5.801 6.647 1.00 0.00 C ATOM 0 H LEU A 74 -3.600 -9.727 5.479 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.605 -8.441 6.824 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.586 -8.652 7.285 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.591 -7.637 8.310 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.531 -7.310 5.315 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.289 -5.597 5.531 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.889 -7.217 5.960 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.506 -6.042 7.241 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.927 -4.997 5.918 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.052 -5.419 7.642 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.803 -6.180 6.629 1.00 0.00 H new ATOM 1151 N LEU A 75 -3.172 -10.474 8.923 1.00 0.00 N ATOM 1152 CA LEU A 75 -3.009 -11.226 10.162 1.00 0.00 C ATOM 1153 C LEU A 75 -1.692 -11.996 10.162 1.00 0.00 C ATOM 1154 O LEU A 75 -1.171 -12.354 11.218 1.00 0.00 O ATOM 1155 CB LEU A 75 -4.178 -12.194 10.351 1.00 0.00 C ATOM 1156 CG LEU A 75 -4.005 -13.584 9.738 1.00 0.00 C ATOM 1157 CD1 LEU A 75 -5.201 -14.465 10.067 1.00 0.00 C ATOM 1158 CD2 LEU A 75 -3.814 -13.482 8.231 1.00 0.00 C ATOM 0 H LEU A 75 -4.097 -10.552 8.501 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.994 -10.517 10.990 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.358 -12.310 11.420 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.072 -11.740 9.925 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.114 -14.041 10.167 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.060 -15.450 9.623 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.293 -14.565 11.149 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.108 -14.012 9.666 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.692 -14.481 7.811 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.687 -13.005 7.785 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.926 -12.888 8.016 1.00 0.00 H new ATOM 1170 N ASP A 76 -1.158 -12.245 8.971 1.00 0.00 N ATOM 1171 CA ASP A 76 0.100 -12.970 8.834 1.00 0.00 C ATOM 1172 C ASP A 76 1.283 -12.076 9.193 1.00 0.00 C ATOM 1173 O ASP A 76 2.223 -12.511 9.861 1.00 0.00 O ATOM 1174 CB ASP A 76 0.257 -13.496 7.406 1.00 0.00 C ATOM 1175 CG ASP A 76 1.091 -14.760 7.343 1.00 0.00 C ATOM 1176 OD1 ASP A 76 0.537 -15.850 7.598 1.00 0.00 O ATOM 1177 OD2 ASP A 76 2.297 -14.660 7.038 1.00 0.00 O ATOM 0 H ASP A 76 -1.577 -11.956 8.087 1.00 0.00 H new ATOM 0 HA ASP A 76 0.082 -13.814 9.524 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.729 -13.693 6.984 1.00 0.00 H new ATOM 0 HB3 ASP A 76 0.720 -12.727 6.788 1.00 0.00 H new ATOM 1182 N LEU A 77 1.232 -10.827 8.745 1.00 0.00 N ATOM 1183 CA LEU A 77 2.301 -9.872 9.018 1.00 0.00 C ATOM 1184 C LEU A 77 2.136 -9.252 10.402 1.00 0.00 C ATOM 1185 O LEU A 77 2.719 -8.210 10.698 1.00 0.00 O ATOM 1186 CB LEU A 77 2.315 -8.774 7.953 1.00 0.00 C ATOM 1187 CG LEU A 77 2.460 -9.245 6.505 1.00 0.00 C ATOM 1188 CD1 LEU A 77 1.767 -8.279 5.557 1.00 0.00 C ATOM 1189 CD2 LEU A 77 3.930 -9.392 6.138 1.00 0.00 C ATOM 0 H LEU A 77 0.462 -10.451 8.191 1.00 0.00 H new ATOM 0 HA LEU A 77 3.250 -10.408 8.991 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.391 -8.202 8.037 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.134 -8.090 8.175 1.00 0.00 H new ATOM 0 HG LEU A 77 1.982 -10.220 6.410 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.881 -8.631 4.532 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.707 -8.223 5.806 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.215 -7.290 5.653 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.015 -9.728 5.105 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.431 -8.430 6.249 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.398 -10.123 6.797 1.00 0.00 H new ATOM 1201 N GLU A 78 1.340 -9.902 11.245 1.00 0.00 N ATOM 1202 CA GLU A 78 1.100 -9.414 12.598 1.00 0.00 C ATOM 1203 C GLU A 78 0.341 -8.090 12.573 1.00 0.00 C ATOM 1204 O GLU A 78 0.464 -7.273 13.487 1.00 0.00 O ATOM 1205 CB GLU A 78 2.425 -9.241 13.343 1.00 0.00 C ATOM 1206 CG GLU A 78 3.297 -10.485 13.332 1.00 0.00 C ATOM 1207 CD GLU A 78 4.736 -10.192 13.710 1.00 0.00 C ATOM 1208 OE1 GLU A 78 5.245 -9.120 13.322 1.00 0.00 O ATOM 1209 OE2 GLU A 78 5.353 -11.035 14.394 1.00 0.00 O ATOM 0 H GLU A 78 0.851 -10.767 11.015 1.00 0.00 H new ATOM 0 HA GLU A 78 0.491 -10.152 13.120 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.979 -8.416 12.895 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.217 -8.962 14.376 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.885 -11.219 14.025 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.270 -10.934 12.339 1.00 0.00 H new ATOM 1216 N LEU A 79 -0.442 -7.884 11.520 1.00 0.00 N ATOM 1217 CA LEU A 79 -1.221 -6.659 11.373 1.00 0.00 C ATOM 1218 C LEU A 79 -2.710 -6.937 11.550 1.00 0.00 C ATOM 1219 O LEU A 79 -3.554 -6.160 11.103 1.00 0.00 O ATOM 1220 CB LEU A 79 -0.966 -6.030 10.002 1.00 0.00 C ATOM 1221 CG LEU A 79 0.496 -5.946 9.563 1.00 0.00 C ATOM 1222 CD1 LEU A 79 0.605 -5.294 8.194 1.00 0.00 C ATOM 1223 CD2 LEU A 79 1.318 -5.179 10.589 1.00 0.00 C ATOM 0 H LEU A 79 -0.555 -8.549 10.755 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.906 -5.961 12.149 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.517 -6.601 9.255 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.382 -5.023 10.004 1.00 0.00 H new ATOM 0 HG LEU A 79 0.893 -6.959 9.493 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.653 -5.243 7.898 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.050 -5.884 7.465 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.190 -4.287 8.237 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.356 -5.129 10.260 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.921 -4.169 10.692 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.266 -5.689 11.551 1.00 0.00 H new ATOM 1235 N ALA A 80 -3.026 -8.049 12.205 1.00 0.00 N ATOM 1236 CA ALA A 80 -4.413 -8.427 12.444 1.00 0.00 C ATOM 1237 C ALA A 80 -5.123 -7.392 13.311 1.00 0.00 C ATOM 1238 O ALA A 80 -6.117 -6.787 12.910 1.00 0.00 O ATOM 1239 CB ALA A 80 -4.481 -9.800 13.096 1.00 0.00 C ATOM 0 H ALA A 80 -2.340 -8.704 12.580 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.923 -8.468 11.482 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.523 -10.070 13.269 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -4.019 -10.538 12.440 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -3.949 -9.778 14.047 1.00 0.00 H new ATOM 1245 N PRO A 81 -4.602 -7.183 14.530 1.00 0.00 N ATOM 1246 CA PRO A 81 -5.170 -6.221 15.479 1.00 0.00 C ATOM 1247 C PRO A 81 -4.963 -4.777 15.035 1.00 0.00 C ATOM 1248 O PRO A 81 -5.788 -4.215 14.315 1.00 0.00 O ATOM 1249 CB PRO A 81 -4.398 -6.500 16.771 1.00 0.00 C ATOM 1250 CG PRO A 81 -3.106 -7.088 16.321 1.00 0.00 C ATOM 1251 CD PRO A 81 -3.418 -7.869 15.074 1.00 0.00 C ATOM 0 HA PRO A 81 -6.249 -6.335 15.578 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.239 -5.586 17.342 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.943 -7.189 17.417 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -2.372 -6.308 16.119 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -2.682 -7.734 17.090 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -2.585 -7.853 14.371 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -3.627 -8.915 15.297 1.00 0.00 H new ATOM 1259 N SER A 82 -3.856 -4.183 15.469 1.00 0.00 N ATOM 1260 CA SER A 82 -3.542 -2.802 15.119 1.00 0.00 C ATOM 1261 C SER A 82 -2.333 -2.739 14.191 1.00 0.00 C ATOM 1262 O SER A 82 -1.386 -3.512 14.334 1.00 0.00 O ATOM 1263 CB SER A 82 -3.275 -1.982 16.382 1.00 0.00 C ATOM 1264 OG SER A 82 -2.346 -2.637 17.228 1.00 0.00 O ATOM 0 H SER A 82 -3.162 -4.636 16.063 1.00 0.00 H new ATOM 0 HA SER A 82 -4.401 -2.380 14.597 1.00 0.00 H new ATOM 0 HB2 SER A 82 -2.891 -0.999 16.107 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.210 -1.821 16.919 1.00 0.00 H new ATOM 0 HG SER A 82 -2.191 -2.092 18.028 1.00 0.00 H new ATOM 1270 N ALA A 83 -2.373 -1.812 13.240 1.00 0.00 N ATOM 1271 CA ALA A 83 -1.280 -1.645 12.290 1.00 0.00 C ATOM 1272 C ALA A 83 -1.202 -0.206 11.790 1.00 0.00 C ATOM 1273 O ALA A 83 -2.225 0.439 11.565 1.00 0.00 O ATOM 1274 CB ALA A 83 -1.447 -2.603 11.120 1.00 0.00 C ATOM 0 H ALA A 83 -3.150 -1.165 13.107 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.347 -1.875 12.804 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.624 -2.467 10.418 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.446 -3.629 11.487 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.391 -2.400 10.615 1.00 0.00 H new ATOM 1280 N SER A 84 0.019 0.291 11.620 1.00 0.00 N ATOM 1281 CA SER A 84 0.231 1.655 11.152 1.00 0.00 C ATOM 1282 C SER A 84 1.167 1.677 9.948 1.00 0.00 C ATOM 1283 O SER A 84 2.384 1.552 10.090 1.00 0.00 O ATOM 1284 CB SER A 84 0.807 2.519 12.276 1.00 0.00 C ATOM 1285 OG SER A 84 -0.019 2.476 13.427 1.00 0.00 O ATOM 0 H SER A 84 0.877 -0.231 11.800 1.00 0.00 H new ATOM 0 HA SER A 84 -0.733 2.062 10.848 1.00 0.00 H new ATOM 0 HB2 SER A 84 1.808 2.171 12.530 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.905 3.549 11.933 1.00 0.00 H new ATOM 0 HG SER A 84 -0.612 3.256 13.433 1.00 0.00 H new ATOM 1291 N VAL A 85 0.591 1.838 8.761 1.00 0.00 N ATOM 1292 CA VAL A 85 1.372 1.877 7.530 1.00 0.00 C ATOM 1293 C VAL A 85 1.488 3.301 6.999 1.00 0.00 C ATOM 1294 O VAL A 85 0.495 3.909 6.598 1.00 0.00 O ATOM 1295 CB VAL A 85 0.750 0.984 6.441 1.00 0.00 C ATOM 1296 CG1 VAL A 85 1.035 -0.483 6.726 1.00 0.00 C ATOM 1297 CG2 VAL A 85 -0.747 1.234 6.338 1.00 0.00 C ATOM 0 H VAL A 85 -0.414 1.944 8.626 1.00 0.00 H new ATOM 0 HA VAL A 85 2.365 1.500 7.773 1.00 0.00 H new ATOM 0 HB VAL A 85 1.205 1.239 5.484 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.588 -1.099 5.946 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.112 -0.647 6.745 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.609 -0.755 7.692 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.170 0.594 5.563 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.220 1.008 7.294 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.925 2.279 6.083 1.00 0.00 H new ATOM 1307 N VAL A 86 2.708 3.829 6.998 1.00 0.00 N ATOM 1308 CA VAL A 86 2.955 5.182 6.514 1.00 0.00 C ATOM 1309 C VAL A 86 2.974 5.226 4.990 1.00 0.00 C ATOM 1310 O VAL A 86 3.376 4.264 4.335 1.00 0.00 O ATOM 1311 CB VAL A 86 4.290 5.734 7.049 1.00 0.00 C ATOM 1312 CG1 VAL A 86 4.081 6.443 8.378 1.00 0.00 C ATOM 1313 CG2 VAL A 86 5.312 4.616 7.186 1.00 0.00 C ATOM 0 H VAL A 86 3.541 3.340 7.327 1.00 0.00 H new ATOM 0 HA VAL A 86 2.139 5.804 6.882 1.00 0.00 H new ATOM 0 HB VAL A 86 4.675 6.461 6.334 1.00 0.00 H new ATOM 0 HG11 VAL A 86 5.035 6.826 8.740 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.385 7.271 8.243 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.673 5.741 9.105 1.00 0.00 H new ATOM 0 HG21 VAL A 86 6.249 5.024 7.565 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.937 3.863 7.879 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.483 4.158 6.212 1.00 0.00 H new ATOM 1323 N LEU A 87 2.536 6.349 4.431 1.00 0.00 N ATOM 1324 CA LEU A 87 2.502 6.520 2.983 1.00 0.00 C ATOM 1325 C LEU A 87 3.714 7.309 2.499 1.00 0.00 C ATOM 1326 O LEU A 87 3.942 8.442 2.926 1.00 0.00 O ATOM 1327 CB LEU A 87 1.215 7.231 2.563 1.00 0.00 C ATOM 1328 CG LEU A 87 0.914 7.246 1.064 1.00 0.00 C ATOM 1329 CD1 LEU A 87 -0.586 7.298 0.821 1.00 0.00 C ATOM 1330 CD2 LEU A 87 1.606 8.424 0.393 1.00 0.00 C ATOM 0 H LEU A 87 2.200 7.154 4.959 1.00 0.00 H new ATOM 0 HA LEU A 87 2.529 5.531 2.525 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.378 6.758 3.076 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.262 8.262 2.914 1.00 0.00 H new ATOM 0 HG LEU A 87 1.300 6.326 0.626 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.781 7.308 -0.251 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -1.057 6.422 1.267 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.997 8.201 1.273 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.381 8.419 -0.673 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.250 9.355 0.835 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.683 8.343 0.537 1.00 0.00 H new ATOM 1342 N LEU A 88 4.489 6.706 1.605 1.00 0.00 N ATOM 1343 CA LEU A 88 5.677 7.353 1.060 1.00 0.00 C ATOM 1344 C LEU A 88 5.455 7.767 -0.391 1.00 0.00 C ATOM 1345 O LEU A 88 5.466 6.944 -1.306 1.00 0.00 O ATOM 1346 CB LEU A 88 6.882 6.416 1.156 1.00 0.00 C ATOM 1347 CG LEU A 88 7.232 5.913 2.557 1.00 0.00 C ATOM 1348 CD1 LEU A 88 8.149 4.703 2.477 1.00 0.00 C ATOM 1349 CD2 LEU A 88 7.878 7.022 3.376 1.00 0.00 C ATOM 0 H LEU A 88 4.316 5.769 1.242 1.00 0.00 H new ATOM 0 HA LEU A 88 5.874 8.249 1.648 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.697 5.552 0.517 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.752 6.932 0.749 1.00 0.00 H new ATOM 0 HG LEU A 88 6.310 5.611 3.054 1.00 0.00 H new ATOM 0 HD11 LEU A 88 8.387 4.360 3.484 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.650 3.904 1.929 1.00 0.00 H new ATOM 0 HD13 LEU A 88 9.069 4.977 1.960 1.00 0.00 H new ATOM 0 HD21 LEU A 88 8.120 6.646 4.370 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.790 7.355 2.882 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.186 7.860 3.464 1.00 0.00 H new ATOM 1361 N PRO A 89 5.251 9.075 -0.609 1.00 0.00 N ATOM 1362 CA PRO A 89 5.026 9.629 -1.947 1.00 0.00 C ATOM 1363 C PRO A 89 6.280 9.580 -2.814 1.00 0.00 C ATOM 1364 O PRO A 89 7.394 9.747 -2.319 1.00 0.00 O ATOM 1365 CB PRO A 89 4.625 11.080 -1.668 1.00 0.00 C ATOM 1366 CG PRO A 89 5.244 11.396 -0.350 1.00 0.00 C ATOM 1367 CD PRO A 89 5.226 10.114 0.435 1.00 0.00 C ATOM 0 HA PRO A 89 4.276 9.064 -2.501 1.00 0.00 H new ATOM 0 HB2 PRO A 89 4.990 11.749 -2.448 1.00 0.00 H new ATOM 0 HB3 PRO A 89 3.541 11.192 -1.634 1.00 0.00 H new ATOM 0 HG2 PRO A 89 6.263 11.762 -0.475 1.00 0.00 H new ATOM 0 HG3 PRO A 89 4.686 12.177 0.166 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.087 10.037 1.099 1.00 0.00 H new ATOM 0 HD3 PRO A 89 4.335 10.037 1.058 1.00 0.00 H new ATOM 1375 N ALA A 90 6.090 9.351 -4.109 1.00 0.00 N ATOM 1376 CA ALA A 90 7.206 9.283 -5.044 1.00 0.00 C ATOM 1377 C ALA A 90 7.540 10.662 -5.601 1.00 0.00 C ATOM 1378 O ALA A 90 8.707 10.989 -5.817 1.00 0.00 O ATOM 1379 CB ALA A 90 6.887 8.318 -6.176 1.00 0.00 C ATOM 0 H ALA A 90 5.174 9.209 -4.534 1.00 0.00 H new ATOM 0 HA ALA A 90 8.079 8.917 -4.504 1.00 0.00 H new ATOM 0 HB1 ALA A 90 7.729 8.277 -6.867 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.705 7.324 -5.767 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.999 8.660 -6.707 1.00 0.00 H new