USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 440 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 17 TYR OH : rot 100:sc= -0.475 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.58 USER MOD Single : A 22 GLN : amide:sc= 0.0526 X(o=0.053,f=-0.11) USER MOD Single : A 44 THR OG1 : rot -78:sc= -0.675! USER MOD Single : A 45 LYS NZ :NH3+ 166:sc= 0.547 (180deg=0.321) USER MOD Single : A 53 LYS NZ :NH3+ -126:sc= 0.234 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -94:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 156 N PRO A 10 -8.688 7.787 1.096 1.00 0.00 N ATOM 157 CA PRO A 10 -8.829 6.438 1.650 1.00 0.00 C ATOM 158 C PRO A 10 -7.680 6.107 2.598 1.00 0.00 C ATOM 159 O PRO A 10 -7.843 5.358 3.560 1.00 0.00 O ATOM 160 CB PRO A 10 -8.788 5.524 0.417 1.00 0.00 C ATOM 161 CG PRO A 10 -9.003 6.427 -0.753 1.00 0.00 C ATOM 162 CD PRO A 10 -8.444 7.761 -0.351 1.00 0.00 C ATOM 0 HA PRO A 10 -9.742 6.325 2.234 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -7.832 5.006 0.343 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -9.562 4.758 0.470 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.499 6.044 -1.640 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.063 6.505 -0.997 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.382 7.843 -0.585 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -8.947 8.582 -0.862 1.00 0.00 H new ATOM 170 N VAL A 11 -6.521 6.683 2.310 1.00 0.00 N ATOM 171 CA VAL A 11 -5.341 6.517 3.140 1.00 0.00 C ATOM 172 C VAL A 11 -4.712 7.877 3.394 1.00 0.00 C ATOM 173 O VAL A 11 -4.856 8.789 2.579 1.00 0.00 O ATOM 174 CB VAL A 11 -4.302 5.573 2.488 1.00 0.00 C ATOM 175 CG1 VAL A 11 -4.848 4.158 2.383 1.00 0.00 C ATOM 176 CG2 VAL A 11 -3.884 6.088 1.114 1.00 0.00 C ATOM 0 H VAL A 11 -6.375 7.278 1.494 1.00 0.00 H new ATOM 0 HA VAL A 11 -5.652 6.062 4.081 1.00 0.00 H new ATOM 0 HB VAL A 11 -3.420 5.554 3.128 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.100 3.513 1.922 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.085 3.784 3.379 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -5.751 4.161 1.773 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.154 5.407 0.677 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.758 6.147 0.466 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.441 7.079 1.216 1.00 0.00 H new ATOM 186 N GLU A 12 -4.035 8.019 4.520 1.00 0.00 N ATOM 187 CA GLU A 12 -3.444 9.297 4.885 1.00 0.00 C ATOM 188 C GLU A 12 -1.958 9.144 5.186 1.00 0.00 C ATOM 189 O GLU A 12 -1.486 8.055 5.522 1.00 0.00 O ATOM 190 CB GLU A 12 -4.181 9.891 6.088 1.00 0.00 C ATOM 191 CG GLU A 12 -4.600 11.341 5.892 1.00 0.00 C ATOM 192 CD GLU A 12 -3.421 12.291 5.808 1.00 0.00 C ATOM 193 OE1 GLU A 12 -2.864 12.466 4.707 1.00 0.00 O ATOM 194 OE2 GLU A 12 -3.037 12.860 6.851 1.00 0.00 O ATOM 0 H GLU A 12 -3.881 7.270 5.195 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.545 9.979 4.040 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.067 9.290 6.293 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.539 9.823 6.966 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.191 11.423 4.980 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.244 11.642 6.718 1.00 0.00 H new ATOM 201 N GLU A 13 -1.227 10.240 5.036 1.00 0.00 N ATOM 202 CA GLU A 13 0.209 10.254 5.272 1.00 0.00 C ATOM 203 C GLU A 13 0.532 10.017 6.742 1.00 0.00 C ATOM 204 O GLU A 13 0.080 10.756 7.620 1.00 0.00 O ATOM 205 CB GLU A 13 0.805 11.584 4.817 1.00 0.00 C ATOM 206 CG GLU A 13 0.512 11.901 3.364 1.00 0.00 C ATOM 207 CD GLU A 13 1.090 13.226 2.934 1.00 0.00 C ATOM 208 OE1 GLU A 13 0.453 14.270 3.192 1.00 0.00 O ATOM 209 OE2 GLU A 13 2.190 13.230 2.345 1.00 0.00 O ATOM 0 H GLU A 13 -1.611 11.140 4.749 1.00 0.00 H new ATOM 0 HA GLU A 13 0.650 9.443 4.692 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.412 12.385 5.444 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.884 11.562 4.967 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.918 11.110 2.734 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.567 11.911 3.208 1.00 0.00 H new ATOM 216 N GLY A 14 1.316 8.985 7.005 1.00 0.00 N ATOM 217 CA GLY A 14 1.724 8.679 8.359 1.00 0.00 C ATOM 218 C GLY A 14 0.779 7.711 9.028 1.00 0.00 C ATOM 219 O GLY A 14 0.732 7.625 10.255 1.00 0.00 O ATOM 0 H GLY A 14 1.681 8.348 6.297 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.729 8.256 8.348 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.772 9.600 8.940 1.00 0.00 H new ATOM 223 N GLU A 15 0.036 6.970 8.218 1.00 0.00 N ATOM 224 CA GLU A 15 -0.942 6.023 8.738 1.00 0.00 C ATOM 225 C GLU A 15 -0.528 4.602 8.408 1.00 0.00 C ATOM 226 O GLU A 15 0.325 4.379 7.554 1.00 0.00 O ATOM 227 CB GLU A 15 -2.331 6.306 8.170 1.00 0.00 C ATOM 228 CG GLU A 15 -2.906 7.642 8.607 1.00 0.00 C ATOM 229 CD GLU A 15 -3.240 7.681 10.084 1.00 0.00 C ATOM 230 OE1 GLU A 15 -2.313 7.823 10.911 1.00 0.00 O ATOM 231 OE2 GLU A 15 -4.435 7.566 10.422 1.00 0.00 O ATOM 0 H GLU A 15 0.091 7.006 7.200 1.00 0.00 H new ATOM 0 HA GLU A 15 -0.982 6.140 9.821 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.281 6.280 7.081 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.009 5.510 8.477 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.191 8.432 8.380 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.806 7.851 8.030 1.00 0.00 H new ATOM 238 N VAL A 16 -1.131 3.641 9.082 1.00 0.00 N ATOM 239 CA VAL A 16 -0.758 2.247 8.910 1.00 0.00 C ATOM 240 C VAL A 16 -1.998 1.392 8.659 1.00 0.00 C ATOM 241 O VAL A 16 -3.007 1.523 9.351 1.00 0.00 O ATOM 242 CB VAL A 16 0.039 1.720 10.132 1.00 0.00 C ATOM 243 CG1 VAL A 16 -0.803 1.735 11.399 1.00 0.00 C ATOM 244 CG2 VAL A 16 0.591 0.332 9.859 1.00 0.00 C ATOM 0 H VAL A 16 -1.882 3.799 9.754 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.106 2.177 8.039 1.00 0.00 H new ATOM 0 HB VAL A 16 0.880 2.395 10.293 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.211 1.359 12.234 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.123 2.755 11.611 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.679 1.101 11.261 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.146 -0.017 10.730 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.232 -0.353 9.655 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.256 0.368 8.996 1.00 0.00 H new ATOM 254 N TYR A 17 -1.929 0.547 7.637 1.00 0.00 N ATOM 255 CA TYR A 17 -3.065 -0.275 7.244 1.00 0.00 C ATOM 256 C TYR A 17 -2.614 -1.701 6.957 1.00 0.00 C ATOM 257 O TYR A 17 -1.453 -1.935 6.615 1.00 0.00 O ATOM 258 CB TYR A 17 -3.739 0.296 5.988 1.00 0.00 C ATOM 259 CG TYR A 17 -4.146 1.752 6.096 1.00 0.00 C ATOM 260 CD1 TYR A 17 -5.388 2.115 6.604 1.00 0.00 C ATOM 261 CD2 TYR A 17 -3.287 2.764 5.682 1.00 0.00 C ATOM 262 CE1 TYR A 17 -5.759 3.443 6.695 1.00 0.00 C ATOM 263 CE2 TYR A 17 -3.653 4.093 5.772 1.00 0.00 C ATOM 264 CZ TYR A 17 -4.889 4.426 6.277 1.00 0.00 C ATOM 265 OH TYR A 17 -5.254 5.750 6.364 1.00 0.00 O ATOM 0 H TYR A 17 -1.095 0.414 7.065 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.778 -0.275 8.068 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -3.058 0.184 5.144 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -4.624 -0.299 5.764 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -6.073 1.348 6.932 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -2.317 2.507 5.283 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -6.727 3.709 7.092 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -2.973 4.867 5.448 1.00 0.00 H new ATOM 0 HH TYR A 17 -4.846 6.150 7.160 1.00 0.00 H new ATOM 275 N ASP A 18 -3.527 -2.648 7.098 1.00 0.00 N ATOM 276 CA ASP A 18 -3.261 -4.023 6.710 1.00 0.00 C ATOM 277 C ASP A 18 -3.738 -4.245 5.279 1.00 0.00 C ATOM 278 O ASP A 18 -4.900 -3.990 4.952 1.00 0.00 O ATOM 279 CB ASP A 18 -3.937 -5.013 7.669 1.00 0.00 C ATOM 280 CG ASP A 18 -5.453 -4.913 7.676 1.00 0.00 C ATOM 281 OD1 ASP A 18 -5.987 -3.931 8.233 1.00 0.00 O ATOM 282 OD2 ASP A 18 -6.118 -5.831 7.144 1.00 0.00 O ATOM 0 H ASP A 18 -4.460 -2.489 7.479 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.187 -4.202 6.764 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -3.649 -6.027 7.393 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -3.565 -4.840 8.679 1.00 0.00 H new ATOM 287 N VAL A 19 -2.836 -4.688 4.418 1.00 0.00 N ATOM 288 CA VAL A 19 -3.140 -4.810 3.002 1.00 0.00 C ATOM 289 C VAL A 19 -2.687 -6.149 2.443 1.00 0.00 C ATOM 290 O VAL A 19 -1.793 -6.799 2.989 1.00 0.00 O ATOM 291 CB VAL A 19 -2.470 -3.689 2.178 1.00 0.00 C ATOM 292 CG1 VAL A 19 -3.003 -2.327 2.588 1.00 0.00 C ATOM 293 CG2 VAL A 19 -0.955 -3.739 2.331 1.00 0.00 C ATOM 0 H VAL A 19 -1.889 -4.968 4.674 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.224 -4.728 2.918 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.714 -3.849 1.128 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.517 -1.552 1.995 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.079 -2.292 2.419 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.796 -2.158 3.645 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.503 -2.941 1.742 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.691 -3.610 3.381 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.585 -4.702 1.980 1.00 0.00 H new ATOM 303 N THR A 20 -3.318 -6.547 1.353 1.00 0.00 N ATOM 304 CA THR A 20 -2.916 -7.726 0.619 1.00 0.00 C ATOM 305 C THR A 20 -2.381 -7.320 -0.747 1.00 0.00 C ATOM 306 O THR A 20 -3.058 -6.610 -1.496 1.00 0.00 O ATOM 307 CB THR A 20 -4.097 -8.701 0.431 1.00 0.00 C ATOM 308 OG1 THR A 20 -4.655 -9.047 1.705 1.00 0.00 O ATOM 309 CG2 THR A 20 -3.646 -9.961 -0.293 1.00 0.00 C ATOM 0 H THR A 20 -4.122 -6.061 0.955 1.00 0.00 H new ATOM 0 HA THR A 20 -2.139 -8.231 1.193 1.00 0.00 H new ATOM 0 HB THR A 20 -4.857 -8.206 -0.174 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.405 -9.665 1.577 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.495 -10.634 -0.415 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.250 -9.695 -1.273 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.870 -10.457 0.290 1.00 0.00 H new ATOM 317 N ILE A 21 -1.162 -7.734 -1.054 1.00 0.00 N ATOM 318 CA ILE A 21 -0.592 -7.493 -2.369 1.00 0.00 C ATOM 319 C ILE A 21 -1.308 -8.361 -3.397 1.00 0.00 C ATOM 320 O ILE A 21 -0.992 -9.538 -3.560 1.00 0.00 O ATOM 321 CB ILE A 21 0.925 -7.783 -2.403 1.00 0.00 C ATOM 322 CG1 ILE A 21 1.655 -6.943 -1.348 1.00 0.00 C ATOM 323 CG2 ILE A 21 1.489 -7.501 -3.788 1.00 0.00 C ATOM 324 CD1 ILE A 21 1.425 -5.453 -1.492 1.00 0.00 C ATOM 0 H ILE A 21 -0.550 -8.237 -0.412 1.00 0.00 H new ATOM 0 HA ILE A 21 -0.729 -6.438 -2.607 1.00 0.00 H new ATOM 0 HB ILE A 21 1.080 -8.837 -2.174 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.330 -7.258 -0.357 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.724 -7.145 -1.412 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.559 -7.710 -3.795 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.990 -8.136 -4.520 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.323 -6.454 -4.042 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.972 -4.923 -0.712 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.777 -5.123 -2.470 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.360 -5.238 -1.398 1.00 0.00 H new ATOM 336 N GLN A 22 -2.303 -7.787 -4.049 1.00 0.00 N ATOM 337 CA GLN A 22 -3.121 -8.529 -4.995 1.00 0.00 C ATOM 338 C GLN A 22 -2.479 -8.513 -6.375 1.00 0.00 C ATOM 339 O GLN A 22 -2.564 -9.483 -7.127 1.00 0.00 O ATOM 340 CB GLN A 22 -4.530 -7.934 -5.054 1.00 0.00 C ATOM 341 CG GLN A 22 -5.492 -8.715 -5.935 1.00 0.00 C ATOM 342 CD GLN A 22 -5.697 -10.143 -5.462 1.00 0.00 C ATOM 343 OE1 GLN A 22 -6.588 -10.420 -4.658 1.00 0.00 O ATOM 344 NE2 GLN A 22 -4.878 -11.058 -5.955 1.00 0.00 N ATOM 0 H GLN A 22 -2.566 -6.807 -3.941 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.194 -9.564 -4.660 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -4.936 -7.886 -4.044 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -4.466 -6.910 -5.421 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -6.454 -8.203 -5.957 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.113 -8.727 -6.957 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -4.152 -10.788 -6.619 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -4.972 -12.033 -5.671 1.00 0.00 H new ATOM 353 N ASP A 23 -1.822 -7.413 -6.694 1.00 0.00 N ATOM 354 CA ASP A 23 -1.179 -7.254 -7.988 1.00 0.00 C ATOM 355 C ASP A 23 0.277 -6.871 -7.788 1.00 0.00 C ATOM 356 O ASP A 23 0.674 -6.469 -6.696 1.00 0.00 O ATOM 357 CB ASP A 23 -1.906 -6.181 -8.812 1.00 0.00 C ATOM 358 CG ASP A 23 -1.353 -6.024 -10.220 1.00 0.00 C ATOM 359 OD1 ASP A 23 -1.809 -6.748 -11.131 1.00 0.00 O ATOM 360 OD2 ASP A 23 -0.473 -5.166 -10.426 1.00 0.00 O ATOM 0 H ASP A 23 -1.719 -6.612 -6.072 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.227 -8.197 -8.532 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -2.965 -6.434 -8.871 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -1.835 -5.225 -8.293 1.00 0.00 H new ATOM 365 N ILE A 24 1.073 -7.010 -8.825 1.00 0.00 N ATOM 366 CA ILE A 24 2.442 -6.564 -8.788 1.00 0.00 C ATOM 367 C ILE A 24 2.771 -5.967 -10.146 1.00 0.00 C ATOM 368 O ILE A 24 2.421 -6.530 -11.189 1.00 0.00 O ATOM 369 CB ILE A 24 3.430 -7.704 -8.400 1.00 0.00 C ATOM 370 CG1 ILE A 24 4.660 -7.118 -7.711 1.00 0.00 C ATOM 371 CG2 ILE A 24 3.864 -8.518 -9.613 1.00 0.00 C ATOM 372 CD1 ILE A 24 5.595 -8.159 -7.135 1.00 0.00 C ATOM 0 H ILE A 24 0.790 -7.432 -9.709 1.00 0.00 H new ATOM 0 HA ILE A 24 2.558 -5.810 -8.009 1.00 0.00 H new ATOM 0 HB ILE A 24 2.906 -8.373 -7.717 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.209 -6.507 -8.428 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.334 -6.454 -6.910 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.552 -9.302 -9.298 1.00 0.00 H new ATOM 0 HG22 ILE A 24 2.989 -8.970 -10.080 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.362 -7.865 -10.330 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.444 -7.664 -6.663 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.063 -8.755 -6.393 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.952 -8.809 -7.934 1.00 0.00 H new ATOM 384 N ALA A 25 3.369 -4.797 -10.140 1.00 0.00 N ATOM 385 CA ALA A 25 3.649 -4.099 -11.376 1.00 0.00 C ATOM 386 C ALA A 25 4.853 -4.712 -12.070 1.00 0.00 C ATOM 387 O ALA A 25 5.633 -5.433 -11.448 1.00 0.00 O ATOM 388 CB ALA A 25 3.865 -2.625 -11.097 1.00 0.00 C ATOM 0 H ALA A 25 3.670 -4.309 -9.296 1.00 0.00 H new ATOM 0 HA ALA A 25 2.795 -4.199 -12.046 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.075 -2.105 -12.031 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.968 -2.205 -10.642 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.708 -2.503 -10.416 1.00 0.00 H new ATOM 442 N ASP A 29 7.203 -3.904 -8.101 1.00 0.00 N ATOM 443 CA ASP A 29 6.770 -3.400 -6.807 1.00 0.00 C ATOM 444 C ASP A 29 5.357 -3.873 -6.512 1.00 0.00 C ATOM 445 O ASP A 29 4.525 -3.966 -7.420 1.00 0.00 O ATOM 446 CB ASP A 29 6.838 -1.874 -6.755 1.00 0.00 C ATOM 447 CG ASP A 29 8.262 -1.354 -6.797 1.00 0.00 C ATOM 448 OD1 ASP A 29 9.022 -1.598 -5.836 1.00 0.00 O ATOM 449 OD2 ASP A 29 8.633 -0.702 -7.791 1.00 0.00 O ATOM 0 HA ASP A 29 7.446 -3.791 -6.047 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.279 -1.460 -7.594 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.353 -1.523 -5.844 1.00 0.00 H new ATOM 454 N GLY A 30 5.100 -4.181 -5.249 1.00 0.00 N ATOM 455 CA GLY A 30 3.818 -4.727 -4.857 1.00 0.00 C ATOM 456 C GLY A 30 2.702 -3.716 -4.993 1.00 0.00 C ATOM 457 O GLY A 30 2.844 -2.563 -4.579 1.00 0.00 O ATOM 0 H GLY A 30 5.763 -4.061 -4.483 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.593 -5.599 -5.471 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.872 -5.070 -3.824 1.00 0.00 H new ATOM 461 N ILE A 31 1.597 -4.147 -5.581 1.00 0.00 N ATOM 462 CA ILE A 31 0.455 -3.279 -5.800 1.00 0.00 C ATOM 463 C ILE A 31 -0.674 -3.628 -4.841 1.00 0.00 C ATOM 464 O ILE A 31 -1.296 -4.693 -4.940 1.00 0.00 O ATOM 465 CB ILE A 31 -0.058 -3.377 -7.256 1.00 0.00 C ATOM 466 CG1 ILE A 31 1.039 -2.956 -8.239 1.00 0.00 C ATOM 467 CG2 ILE A 31 -1.308 -2.529 -7.447 1.00 0.00 C ATOM 468 CD1 ILE A 31 1.521 -1.533 -8.051 1.00 0.00 C ATOM 0 H ILE A 31 1.469 -5.101 -5.917 1.00 0.00 H new ATOM 0 HA ILE A 31 0.784 -2.256 -5.616 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.321 -4.415 -7.458 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.887 -3.633 -8.133 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.665 -3.071 -9.256 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.651 -2.613 -8.478 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.091 -2.879 -6.774 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.078 -1.487 -7.225 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.297 -1.312 -8.784 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.686 -0.845 -8.187 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.928 -1.416 -7.046 1.00 0.00 H new ATOM 480 N ALA A 32 -0.914 -2.736 -3.899 1.00 0.00 N ATOM 481 CA ALA A 32 -2.024 -2.881 -2.979 1.00 0.00 C ATOM 482 C ALA A 32 -3.163 -1.977 -3.417 1.00 0.00 C ATOM 483 O ALA A 32 -2.930 -0.932 -4.017 1.00 0.00 O ATOM 484 CB ALA A 32 -1.584 -2.548 -1.562 1.00 0.00 C ATOM 0 H ALA A 32 -0.351 -1.899 -3.751 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.369 -3.915 -2.989 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.429 -2.662 -0.883 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -0.783 -3.224 -1.261 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.224 -1.520 -1.525 1.00 0.00 H new ATOM 490 N ARG A 33 -4.387 -2.379 -3.136 1.00 0.00 N ATOM 491 CA ARG A 33 -5.545 -1.583 -3.510 1.00 0.00 C ATOM 492 C ARG A 33 -6.574 -1.565 -2.394 1.00 0.00 C ATOM 493 O ARG A 33 -7.163 -2.592 -2.059 1.00 0.00 O ATOM 494 CB ARG A 33 -6.180 -2.101 -4.804 1.00 0.00 C ATOM 495 CG ARG A 33 -6.325 -3.614 -4.856 1.00 0.00 C ATOM 496 CD ARG A 33 -7.199 -4.061 -6.014 1.00 0.00 C ATOM 497 NE ARG A 33 -8.621 -3.823 -5.755 1.00 0.00 N ATOM 498 CZ ARG A 33 -9.559 -4.760 -5.880 1.00 0.00 C ATOM 499 NH1 ARG A 33 -9.234 -5.968 -6.320 1.00 0.00 N ATOM 500 NH2 ARG A 33 -10.823 -4.485 -5.592 1.00 0.00 N ATOM 0 H ARG A 33 -4.608 -3.249 -2.652 1.00 0.00 H new ATOM 0 HA ARG A 33 -5.200 -0.564 -3.682 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.164 -1.647 -4.921 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.575 -1.774 -5.650 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.339 -4.070 -4.948 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.754 -3.970 -3.919 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -6.902 -3.530 -6.918 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.038 -5.123 -6.201 1.00 0.00 H new ATOM 0 HE ARG A 33 -8.908 -2.889 -5.463 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.266 -6.179 -6.562 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -9.952 -6.686 -6.416 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.082 -3.552 -5.273 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -11.537 -5.207 -5.690 1.00 0.00 H new ATOM 514 N ILE A 34 -6.779 -0.395 -1.814 1.00 0.00 N ATOM 515 CA ILE A 34 -7.785 -0.230 -0.781 1.00 0.00 C ATOM 516 C ILE A 34 -8.993 0.485 -1.345 1.00 0.00 C ATOM 517 O ILE A 34 -8.955 1.690 -1.609 1.00 0.00 O ATOM 518 CB ILE A 34 -7.252 0.530 0.447 1.00 0.00 C ATOM 519 CG1 ILE A 34 -6.144 -0.284 1.109 1.00 0.00 C ATOM 520 CG2 ILE A 34 -8.380 0.815 1.437 1.00 0.00 C ATOM 521 CD1 ILE A 34 -5.627 0.330 2.386 1.00 0.00 C ATOM 0 H ILE A 34 -6.262 0.454 -2.041 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.067 -1.228 -0.445 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.844 1.487 0.123 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.518 -1.286 1.322 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.317 -0.395 0.408 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.982 1.353 2.297 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -9.145 1.422 0.952 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.819 -0.126 1.769 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.842 -0.302 2.802 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.223 1.320 2.176 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.442 0.416 3.105 1.00 0.00 H new ATOM 533 N GLU A 35 -10.046 -0.288 -1.551 1.00 0.00 N ATOM 534 CA GLU A 35 -11.303 0.206 -2.117 1.00 0.00 C ATOM 535 C GLU A 35 -11.084 0.980 -3.422 1.00 0.00 C ATOM 536 O GLU A 35 -11.875 1.854 -3.777 1.00 0.00 O ATOM 537 CB GLU A 35 -12.044 1.071 -1.091 1.00 0.00 C ATOM 538 CG GLU A 35 -12.954 0.273 -0.166 1.00 0.00 C ATOM 539 CD GLU A 35 -12.253 -0.885 0.515 1.00 0.00 C ATOM 540 OE1 GLU A 35 -12.155 -1.970 -0.097 1.00 0.00 O ATOM 541 OE2 GLU A 35 -11.811 -0.724 1.671 1.00 0.00 O ATOM 0 H GLU A 35 -10.059 -1.284 -1.331 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.917 -0.661 -2.359 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -11.314 1.613 -0.490 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -12.639 1.816 -1.619 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -13.361 0.939 0.594 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -13.798 -0.110 -0.740 1.00 0.00 H new ATOM 548 N GLY A 36 -10.017 0.642 -4.137 1.00 0.00 N ATOM 549 CA GLY A 36 -9.754 1.268 -5.416 1.00 0.00 C ATOM 550 C GLY A 36 -8.445 2.029 -5.445 1.00 0.00 C ATOM 551 O GLY A 36 -7.793 2.108 -6.485 1.00 0.00 O ATOM 0 H GLY A 36 -9.329 -0.055 -3.852 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -9.740 0.503 -6.193 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -10.570 1.950 -5.655 1.00 0.00 H new ATOM 555 N PHE A 37 -8.053 2.587 -4.307 1.00 0.00 N ATOM 556 CA PHE A 37 -6.835 3.384 -4.242 1.00 0.00 C ATOM 557 C PHE A 37 -5.609 2.477 -4.260 1.00 0.00 C ATOM 558 O PHE A 37 -5.484 1.567 -3.438 1.00 0.00 O ATOM 559 CB PHE A 37 -6.830 4.267 -2.990 1.00 0.00 C ATOM 560 CG PHE A 37 -5.940 5.472 -3.110 1.00 0.00 C ATOM 561 CD1 PHE A 37 -6.438 6.661 -3.618 1.00 0.00 C ATOM 562 CD2 PHE A 37 -4.610 5.417 -2.727 1.00 0.00 C ATOM 563 CE1 PHE A 37 -5.629 7.772 -3.740 1.00 0.00 C ATOM 564 CE2 PHE A 37 -3.796 6.527 -2.849 1.00 0.00 C ATOM 565 CZ PHE A 37 -4.306 7.705 -3.356 1.00 0.00 C ATOM 0 H PHE A 37 -8.556 2.504 -3.423 1.00 0.00 H new ATOM 0 HA PHE A 37 -6.802 4.034 -5.116 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -7.848 4.596 -2.783 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -6.508 3.671 -2.136 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -7.473 6.719 -3.922 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -4.205 4.498 -2.329 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -6.031 8.693 -4.136 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -2.760 6.473 -2.548 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.670 8.573 -3.452 1.00 0.00 H new ATOM 575 N VAL A 38 -4.709 2.733 -5.202 1.00 0.00 N ATOM 576 CA VAL A 38 -3.530 1.901 -5.391 1.00 0.00 C ATOM 577 C VAL A 38 -2.360 2.379 -4.527 1.00 0.00 C ATOM 578 O VAL A 38 -2.085 3.578 -4.427 1.00 0.00 O ATOM 579 CB VAL A 38 -3.114 1.858 -6.885 1.00 0.00 C ATOM 580 CG1 VAL A 38 -2.886 3.257 -7.434 1.00 0.00 C ATOM 581 CG2 VAL A 38 -1.874 0.997 -7.086 1.00 0.00 C ATOM 0 H VAL A 38 -4.776 3.517 -5.851 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.792 0.892 -5.074 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.936 1.406 -7.440 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.596 3.193 -8.483 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.805 3.837 -7.346 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.093 3.746 -6.867 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.606 0.986 -8.143 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.048 1.408 -6.507 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.080 -0.020 -6.753 1.00 0.00 H new ATOM 591 N ILE A 39 -1.692 1.429 -3.889 1.00 0.00 N ATOM 592 CA ILE A 39 -0.540 1.716 -3.048 1.00 0.00 C ATOM 593 C ILE A 39 0.665 0.904 -3.520 1.00 0.00 C ATOM 594 O ILE A 39 0.551 -0.299 -3.758 1.00 0.00 O ATOM 595 CB ILE A 39 -0.821 1.376 -1.567 1.00 0.00 C ATOM 596 CG1 ILE A 39 -2.133 2.021 -1.103 1.00 0.00 C ATOM 597 CG2 ILE A 39 0.336 1.838 -0.690 1.00 0.00 C ATOM 598 CD1 ILE A 39 -2.509 1.684 0.324 1.00 0.00 C ATOM 0 H ILE A 39 -1.933 0.439 -3.940 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.332 2.783 -3.128 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.919 0.294 -1.475 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.049 3.103 -1.201 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.938 1.703 -1.766 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.125 1.592 0.351 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.252 1.337 -1.002 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.460 2.916 -0.790 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.447 2.176 0.579 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.626 0.605 0.424 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.724 2.028 0.998 1.00 0.00 H new ATOM 610 N PHE A 40 1.805 1.565 -3.664 1.00 0.00 N ATOM 611 CA PHE A 40 3.037 0.898 -4.066 1.00 0.00 C ATOM 612 C PHE A 40 3.842 0.478 -2.843 1.00 0.00 C ATOM 613 O PHE A 40 4.233 1.316 -2.025 1.00 0.00 O ATOM 614 CB PHE A 40 3.884 1.811 -4.958 1.00 0.00 C ATOM 615 CG PHE A 40 3.366 1.949 -6.363 1.00 0.00 C ATOM 616 CD1 PHE A 40 2.242 2.714 -6.636 1.00 0.00 C ATOM 617 CD2 PHE A 40 4.008 1.312 -7.414 1.00 0.00 C ATOM 618 CE1 PHE A 40 1.770 2.840 -7.929 1.00 0.00 C ATOM 619 CE2 PHE A 40 3.540 1.436 -8.707 1.00 0.00 C ATOM 620 CZ PHE A 40 2.420 2.201 -8.966 1.00 0.00 C ATOM 0 H PHE A 40 1.903 2.568 -3.508 1.00 0.00 H new ATOM 0 HA PHE A 40 2.767 0.008 -4.634 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.936 2.800 -4.502 1.00 0.00 H new ATOM 0 HB3 PHE A 40 4.902 1.423 -4.994 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.730 3.217 -5.829 1.00 0.00 H new ATOM 0 HD2 PHE A 40 4.884 0.712 -7.219 1.00 0.00 H new ATOM 0 HE1 PHE A 40 0.893 3.438 -8.128 1.00 0.00 H new ATOM 0 HE2 PHE A 40 4.050 0.934 -9.516 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.053 2.299 -9.977 1.00 0.00 H new ATOM 630 N VAL A 41 4.074 -0.822 -2.717 1.00 0.00 N ATOM 631 CA VAL A 41 4.869 -1.356 -1.622 1.00 0.00 C ATOM 632 C VAL A 41 6.067 -2.124 -2.174 1.00 0.00 C ATOM 633 O VAL A 41 5.939 -3.270 -2.612 1.00 0.00 O ATOM 634 CB VAL A 41 4.040 -2.284 -0.710 1.00 0.00 C ATOM 635 CG1 VAL A 41 4.841 -2.677 0.522 1.00 0.00 C ATOM 636 CG2 VAL A 41 2.728 -1.624 -0.310 1.00 0.00 C ATOM 0 H VAL A 41 3.721 -1.528 -3.363 1.00 0.00 H new ATOM 0 HA VAL A 41 5.211 -0.512 -1.023 1.00 0.00 H new ATOM 0 HB VAL A 41 3.805 -3.189 -1.271 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.240 -3.331 1.153 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.747 -3.200 0.215 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.111 -1.781 1.081 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.162 -2.299 0.333 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.935 -0.699 0.228 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.146 -1.401 -1.204 1.00 0.00 H new ATOM 646 N PRO A 42 7.243 -1.488 -2.182 1.00 0.00 N ATOM 647 CA PRO A 42 8.466 -2.064 -2.758 1.00 0.00 C ATOM 648 C PRO A 42 8.959 -3.301 -2.006 1.00 0.00 C ATOM 649 O PRO A 42 9.127 -3.272 -0.785 1.00 0.00 O ATOM 650 CB PRO A 42 9.497 -0.930 -2.640 1.00 0.00 C ATOM 651 CG PRO A 42 8.700 0.302 -2.373 1.00 0.00 C ATOM 652 CD PRO A 42 7.480 -0.149 -1.632 1.00 0.00 C ATOM 0 HA PRO A 42 8.295 -2.405 -3.779 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.204 -1.124 -1.833 1.00 0.00 H new ATOM 0 HB3 PRO A 42 10.079 -0.831 -3.556 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.273 1.017 -1.783 1.00 0.00 H new ATOM 0 HG3 PRO A 42 8.429 0.801 -3.303 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.648 -0.178 -0.555 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.633 0.515 -1.805 1.00 0.00 H new ATOM 660 N GLY A 43 9.179 -4.389 -2.741 1.00 0.00 N ATOM 661 CA GLY A 43 9.786 -5.573 -2.157 1.00 0.00 C ATOM 662 C GLY A 43 8.796 -6.686 -1.857 1.00 0.00 C ATOM 663 O GLY A 43 9.197 -7.804 -1.536 1.00 0.00 O ATOM 0 H GLY A 43 8.947 -4.471 -3.731 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.549 -5.952 -2.837 1.00 0.00 H new ATOM 0 HA3 GLY A 43 10.293 -5.292 -1.234 1.00 0.00 H new ATOM 667 N THR A 44 7.509 -6.403 -1.975 1.00 0.00 N ATOM 668 CA THR A 44 6.490 -7.389 -1.634 1.00 0.00 C ATOM 669 C THR A 44 6.129 -8.263 -2.831 1.00 0.00 C ATOM 670 O THR A 44 6.322 -7.870 -3.982 1.00 0.00 O ATOM 671 CB THR A 44 5.221 -6.709 -1.099 1.00 0.00 C ATOM 672 OG1 THR A 44 4.809 -5.670 -1.996 1.00 0.00 O ATOM 673 CG2 THR A 44 5.458 -6.133 0.289 1.00 0.00 C ATOM 0 H THR A 44 7.145 -5.508 -2.301 1.00 0.00 H new ATOM 0 HA THR A 44 6.913 -8.023 -0.855 1.00 0.00 H new ATOM 0 HB THR A 44 4.433 -7.459 -1.029 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.375 -4.881 -1.865 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.545 -5.657 0.646 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.741 -6.934 0.972 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.259 -5.395 0.245 1.00 0.00 H new ATOM 681 N LYS A 45 5.619 -9.455 -2.550 1.00 0.00 N ATOM 682 CA LYS A 45 5.218 -10.383 -3.593 1.00 0.00 C ATOM 683 C LYS A 45 3.701 -10.532 -3.595 1.00 0.00 C ATOM 684 O LYS A 45 3.049 -10.267 -2.583 1.00 0.00 O ATOM 685 CB LYS A 45 5.882 -11.746 -3.361 1.00 0.00 C ATOM 686 CG LYS A 45 5.621 -12.755 -4.469 1.00 0.00 C ATOM 687 CD LYS A 45 6.203 -14.125 -4.150 1.00 0.00 C ATOM 688 CE LYS A 45 5.481 -14.796 -2.989 1.00 0.00 C ATOM 689 NZ LYS A 45 4.042 -15.030 -3.286 1.00 0.00 N ATOM 0 H LYS A 45 5.474 -9.801 -1.602 1.00 0.00 H new ATOM 0 HA LYS A 45 5.537 -9.996 -4.561 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.958 -11.603 -3.260 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.525 -12.157 -2.417 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.547 -12.847 -4.628 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.051 -12.388 -5.401 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.138 -14.761 -5.033 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.261 -14.022 -3.908 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.964 -15.747 -2.763 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.571 -14.174 -2.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.646 -15.689 -2.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.527 -14.127 -3.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.946 -15.437 -4.238 1.00 0.00 H new ATOM 703 N VAL A 46 3.141 -10.953 -4.722 1.00 0.00 N ATOM 704 CA VAL A 46 1.706 -11.173 -4.816 1.00 0.00 C ATOM 705 C VAL A 46 1.262 -12.209 -3.790 1.00 0.00 C ATOM 706 O VAL A 46 1.792 -13.323 -3.739 1.00 0.00 O ATOM 707 CB VAL A 46 1.287 -11.634 -6.229 1.00 0.00 C ATOM 708 CG1 VAL A 46 -0.210 -11.885 -6.300 1.00 0.00 C ATOM 709 CG2 VAL A 46 1.704 -10.610 -7.271 1.00 0.00 C ATOM 0 H VAL A 46 3.657 -11.148 -5.580 1.00 0.00 H new ATOM 0 HA VAL A 46 1.218 -10.220 -4.612 1.00 0.00 H new ATOM 0 HB VAL A 46 1.798 -12.573 -6.441 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.477 -12.208 -7.306 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.483 -12.661 -5.585 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.745 -10.966 -6.060 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.400 -10.953 -8.260 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.225 -9.655 -7.055 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.787 -10.486 -7.247 1.00 0.00 H new ATOM 719 N GLY A 47 0.312 -11.824 -2.957 1.00 0.00 N ATOM 720 CA GLY A 47 -0.185 -12.712 -1.938 1.00 0.00 C ATOM 721 C GLY A 47 0.256 -12.305 -0.550 1.00 0.00 C ATOM 722 O GLY A 47 -0.270 -12.810 0.444 1.00 0.00 O ATOM 0 H GLY A 47 -0.126 -10.903 -2.971 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.274 -12.733 -1.978 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.161 -13.725 -2.143 1.00 0.00 H new ATOM 726 N ASP A 48 1.222 -11.396 -0.470 1.00 0.00 N ATOM 727 CA ASP A 48 1.703 -10.921 0.821 1.00 0.00 C ATOM 728 C ASP A 48 0.645 -10.089 1.522 1.00 0.00 C ATOM 729 O ASP A 48 0.221 -9.044 1.022 1.00 0.00 O ATOM 730 CB ASP A 48 2.992 -10.105 0.683 1.00 0.00 C ATOM 731 CG ASP A 48 4.235 -10.968 0.624 1.00 0.00 C ATOM 732 OD1 ASP A 48 4.272 -12.013 1.315 1.00 0.00 O ATOM 733 OD2 ASP A 48 5.183 -10.605 -0.103 1.00 0.00 O ATOM 0 H ASP A 48 1.684 -10.977 -1.277 1.00 0.00 H new ATOM 0 HA ASP A 48 1.920 -11.804 1.422 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.936 -9.497 -0.220 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.073 -9.418 1.526 1.00 0.00 H new ATOM 738 N GLU A 49 0.206 -10.572 2.670 1.00 0.00 N ATOM 739 CA GLU A 49 -0.751 -9.847 3.482 1.00 0.00 C ATOM 740 C GLU A 49 -0.040 -9.277 4.694 1.00 0.00 C ATOM 741 O GLU A 49 0.188 -9.971 5.683 1.00 0.00 O ATOM 742 CB GLU A 49 -1.901 -10.762 3.902 1.00 0.00 C ATOM 743 CG GLU A 49 -2.618 -11.385 2.720 1.00 0.00 C ATOM 744 CD GLU A 49 -3.783 -12.255 3.126 1.00 0.00 C ATOM 745 OE1 GLU A 49 -3.548 -13.392 3.579 1.00 0.00 O ATOM 746 OE2 GLU A 49 -4.939 -11.817 2.963 1.00 0.00 O ATOM 0 H GLU A 49 0.499 -11.467 3.061 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.177 -9.029 2.901 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.514 -11.553 4.544 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.616 -10.191 4.495 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.975 -10.594 2.061 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.909 -11.982 2.146 1.00 0.00 H new ATOM 753 N VAL A 50 0.341 -8.015 4.597 1.00 0.00 N ATOM 754 CA VAL A 50 1.158 -7.385 5.621 1.00 0.00 C ATOM 755 C VAL A 50 0.598 -6.026 6.007 1.00 0.00 C ATOM 756 O VAL A 50 -0.355 -5.538 5.401 1.00 0.00 O ATOM 757 CB VAL A 50 2.624 -7.213 5.160 1.00 0.00 C ATOM 758 CG1 VAL A 50 3.284 -8.565 4.930 1.00 0.00 C ATOM 759 CG2 VAL A 50 2.699 -6.362 3.899 1.00 0.00 C ATOM 0 H VAL A 50 0.097 -7.404 3.817 1.00 0.00 H new ATOM 0 HA VAL A 50 1.138 -8.047 6.487 1.00 0.00 H new ATOM 0 HB VAL A 50 3.166 -6.699 5.954 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.314 -8.417 4.606 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.274 -9.137 5.858 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.737 -9.111 4.161 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.740 -6.255 3.594 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.134 -6.844 3.101 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.276 -5.377 4.099 1.00 0.00 H new ATOM 769 N ARG A 51 1.193 -5.426 7.021 1.00 0.00 N ATOM 770 CA ARG A 51 0.799 -4.101 7.460 1.00 0.00 C ATOM 771 C ARG A 51 1.811 -3.077 6.974 1.00 0.00 C ATOM 772 O ARG A 51 3.017 -3.223 7.192 1.00 0.00 O ATOM 773 CB ARG A 51 0.672 -4.061 8.981 1.00 0.00 C ATOM 774 CG ARG A 51 -0.395 -5.006 9.504 1.00 0.00 C ATOM 775 CD ARG A 51 -0.484 -4.995 11.020 1.00 0.00 C ATOM 776 NE ARG A 51 -0.820 -3.673 11.541 1.00 0.00 N ATOM 777 CZ ARG A 51 -2.067 -3.230 11.701 1.00 0.00 C ATOM 778 NH1 ARG A 51 -3.099 -4.004 11.382 1.00 0.00 N ATOM 779 NH2 ARG A 51 -2.275 -2.017 12.193 1.00 0.00 N ATOM 0 H ARG A 51 1.955 -5.838 7.559 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.175 -3.858 7.034 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.632 -4.319 9.429 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.437 -3.044 9.295 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.361 -4.727 9.084 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.179 -6.018 9.163 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.237 -5.714 11.344 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.468 -5.319 11.441 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.054 -3.051 11.798 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -2.939 -4.941 11.013 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -4.051 -3.661 11.506 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.483 -1.427 12.447 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -3.227 -1.673 12.317 1.00 0.00 H new ATOM 793 N ILE A 52 1.320 -2.059 6.296 1.00 0.00 N ATOM 794 CA ILE A 52 2.187 -1.063 5.693 1.00 0.00 C ATOM 795 C ILE A 52 1.969 0.308 6.313 1.00 0.00 C ATOM 796 O ILE A 52 0.845 0.681 6.661 1.00 0.00 O ATOM 797 CB ILE A 52 1.973 -0.965 4.169 1.00 0.00 C ATOM 798 CG1 ILE A 52 0.517 -0.605 3.856 1.00 0.00 C ATOM 799 CG2 ILE A 52 2.364 -2.275 3.496 1.00 0.00 C ATOM 800 CD1 ILE A 52 0.260 -0.316 2.393 1.00 0.00 C ATOM 0 H ILE A 52 0.324 -1.898 6.148 1.00 0.00 H new ATOM 0 HA ILE A 52 3.210 -1.388 5.885 1.00 0.00 H new ATOM 0 HB ILE A 52 2.611 -0.174 3.775 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.127 -1.426 4.173 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.234 0.268 4.444 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.208 -2.192 2.420 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.414 -2.487 3.695 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.750 -3.084 3.890 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.792 -0.069 2.250 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.876 0.525 2.074 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.510 -1.195 1.799 1.00 0.00 H new ATOM 812 N LYS A 53 3.052 1.048 6.453 1.00 0.00 N ATOM 813 CA LYS A 53 2.996 2.411 6.945 1.00 0.00 C ATOM 814 C LYS A 53 3.020 3.369 5.763 1.00 0.00 C ATOM 815 O LYS A 53 4.063 3.577 5.143 1.00 0.00 O ATOM 816 CB LYS A 53 4.174 2.682 7.891 1.00 0.00 C ATOM 817 CG LYS A 53 4.338 4.140 8.306 1.00 0.00 C ATOM 818 CD LYS A 53 3.931 4.391 9.752 1.00 0.00 C ATOM 819 CE LYS A 53 2.422 4.450 9.924 1.00 0.00 C ATOM 820 NZ LYS A 53 2.034 4.961 11.267 1.00 0.00 N ATOM 0 H LYS A 53 3.993 0.723 6.230 1.00 0.00 H new ATOM 0 HA LYS A 53 2.074 2.561 7.506 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.049 2.075 8.788 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.093 2.351 7.408 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.378 4.437 8.169 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.737 4.770 7.650 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.336 3.600 10.384 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.370 5.328 10.093 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.994 5.092 9.154 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.001 3.455 9.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.391 4.283 11.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.885 5.079 11.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.555 5.878 11.164 1.00 0.00 H new ATOM 834 N VAL A 54 1.856 3.911 5.429 1.00 0.00 N ATOM 835 CA VAL A 54 1.742 4.865 4.341 1.00 0.00 C ATOM 836 C VAL A 54 2.421 6.159 4.742 1.00 0.00 C ATOM 837 O VAL A 54 1.926 6.883 5.604 1.00 0.00 O ATOM 838 CB VAL A 54 0.270 5.145 3.969 1.00 0.00 C ATOM 839 CG1 VAL A 54 0.180 6.110 2.795 1.00 0.00 C ATOM 840 CG2 VAL A 54 -0.450 3.844 3.654 1.00 0.00 C ATOM 0 H VAL A 54 0.976 3.703 5.900 1.00 0.00 H new ATOM 0 HA VAL A 54 2.226 4.436 3.464 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.218 5.613 4.824 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.867 6.291 2.552 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.659 7.052 3.061 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.684 5.679 1.930 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.487 4.056 3.393 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.041 3.350 2.816 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.421 3.192 4.527 1.00 0.00 H new ATOM 850 N GLU A 55 3.561 6.424 4.129 1.00 0.00 N ATOM 851 CA GLU A 55 4.392 7.556 4.508 1.00 0.00 C ATOM 852 C GLU A 55 4.078 8.795 3.669 1.00 0.00 C ATOM 853 O GLU A 55 4.274 9.925 4.120 1.00 0.00 O ATOM 854 CB GLU A 55 5.874 7.170 4.412 1.00 0.00 C ATOM 855 CG GLU A 55 6.230 6.343 3.187 1.00 0.00 C ATOM 856 CD GLU A 55 7.654 5.827 3.230 1.00 0.00 C ATOM 857 OE1 GLU A 55 7.888 4.757 3.837 1.00 0.00 O ATOM 858 OE2 GLU A 55 8.547 6.486 2.657 1.00 0.00 O ATOM 0 H GLU A 55 3.936 5.867 3.361 1.00 0.00 H new ATOM 0 HA GLU A 55 4.168 7.816 5.542 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.474 8.080 4.408 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.150 6.610 5.306 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.544 5.500 3.110 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.093 6.949 2.291 1.00 0.00 H new ATOM 865 N ARG A 56 3.578 8.591 2.458 1.00 0.00 N ATOM 866 CA ARG A 56 3.142 9.704 1.628 1.00 0.00 C ATOM 867 C ARG A 56 2.092 9.249 0.625 1.00 0.00 C ATOM 868 O ARG A 56 2.137 8.121 0.132 1.00 0.00 O ATOM 869 CB ARG A 56 4.321 10.351 0.888 1.00 0.00 C ATOM 870 CG ARG A 56 3.893 11.519 0.010 1.00 0.00 C ATOM 871 CD ARG A 56 5.063 12.195 -0.679 1.00 0.00 C ATOM 872 NE ARG A 56 4.604 13.215 -1.623 1.00 0.00 N ATOM 873 CZ ARG A 56 5.232 14.366 -1.856 1.00 0.00 C ATOM 874 NH1 ARG A 56 6.353 14.661 -1.214 1.00 0.00 N ATOM 875 NH2 ARG A 56 4.741 15.219 -2.744 1.00 0.00 N ATOM 0 H ARG A 56 3.465 7.672 2.031 1.00 0.00 H new ATOM 0 HA ARG A 56 2.703 10.450 2.291 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.055 10.698 1.615 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.814 9.600 0.271 1.00 0.00 H new ATOM 0 HG2 ARG A 56 3.190 11.163 -0.743 1.00 0.00 H new ATOM 0 HG3 ARG A 56 3.364 12.251 0.620 1.00 0.00 H new ATOM 0 HD2 ARG A 56 5.713 12.652 0.067 1.00 0.00 H new ATOM 0 HD3 ARG A 56 5.658 11.449 -1.206 1.00 0.00 H new ATOM 0 HE ARG A 56 3.743 13.031 -2.138 1.00 0.00 H new ATOM 0 HH11 ARG A 56 6.740 14.005 -0.536 1.00 0.00 H new ATOM 0 HH12 ARG A 56 6.829 15.544 -1.398 1.00 0.00 H new ATOM 0 HH21 ARG A 56 3.883 14.993 -3.248 1.00 0.00 H new ATOM 0 HH22 ARG A 56 5.221 16.101 -2.923 1.00 0.00 H new ATOM 889 N VAL A 57 1.140 10.124 0.342 1.00 0.00 N ATOM 890 CA VAL A 57 0.136 9.858 -0.672 1.00 0.00 C ATOM 891 C VAL A 57 0.358 10.762 -1.880 1.00 0.00 C ATOM 892 O VAL A 57 0.760 11.920 -1.742 1.00 0.00 O ATOM 893 CB VAL A 57 -1.303 10.049 -0.132 1.00 0.00 C ATOM 894 CG1 VAL A 57 -1.585 9.068 0.995 1.00 0.00 C ATOM 895 CG2 VAL A 57 -1.530 11.477 0.346 1.00 0.00 C ATOM 0 H VAL A 57 1.043 11.028 0.804 1.00 0.00 H new ATOM 0 HA VAL A 57 0.243 8.814 -0.968 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.993 9.853 -0.952 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.601 9.217 1.362 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.479 8.048 0.625 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.878 9.234 1.808 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.549 11.578 0.719 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.826 11.709 1.145 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.377 12.167 -0.484 1.00 0.00 H new ATOM 905 N LEU A 58 0.144 10.210 -3.060 1.00 0.00 N ATOM 906 CA LEU A 58 0.266 10.954 -4.302 1.00 0.00 C ATOM 907 C LEU A 58 -1.105 11.022 -4.968 1.00 0.00 C ATOM 908 O LEU A 58 -1.986 10.219 -4.653 1.00 0.00 O ATOM 909 CB LEU A 58 1.293 10.295 -5.244 1.00 0.00 C ATOM 910 CG LEU A 58 2.765 10.343 -4.790 1.00 0.00 C ATOM 911 CD1 LEU A 58 3.155 11.751 -4.363 1.00 0.00 C ATOM 912 CD2 LEU A 58 3.035 9.348 -3.669 1.00 0.00 C ATOM 0 H LEU A 58 -0.120 9.233 -3.185 1.00 0.00 H new ATOM 0 HA LEU A 58 0.622 11.961 -4.085 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.011 9.251 -5.381 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.220 10.776 -6.220 1.00 0.00 H new ATOM 0 HG LEU A 58 3.381 10.059 -5.643 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.198 11.760 -4.047 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.024 12.435 -5.202 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.522 12.068 -3.534 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.082 9.408 -3.373 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.402 9.583 -2.813 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.814 8.339 -4.017 1.00 0.00 H new ATOM 924 N PRO A 59 -1.309 11.975 -5.892 1.00 0.00 N ATOM 925 CA PRO A 59 -2.610 12.203 -6.537 1.00 0.00 C ATOM 926 C PRO A 59 -3.229 10.949 -7.161 1.00 0.00 C ATOM 927 O PRO A 59 -4.452 10.843 -7.256 1.00 0.00 O ATOM 928 CB PRO A 59 -2.308 13.242 -7.629 1.00 0.00 C ATOM 929 CG PRO A 59 -0.821 13.312 -7.725 1.00 0.00 C ATOM 930 CD PRO A 59 -0.300 12.929 -6.373 1.00 0.00 C ATOM 0 HA PRO A 59 -3.345 12.527 -5.800 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.748 12.947 -8.582 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -2.729 14.214 -7.371 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.448 12.635 -8.493 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -0.495 14.315 -7.999 1.00 0.00 H new ATOM 0 HD2 PRO A 59 0.689 12.475 -6.435 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -0.213 13.793 -5.714 1.00 0.00 H new ATOM 938 N LYS A 60 -2.401 9.998 -7.588 1.00 0.00 N ATOM 939 CA LYS A 60 -2.918 8.816 -8.273 1.00 0.00 C ATOM 940 C LYS A 60 -2.540 7.511 -7.568 1.00 0.00 C ATOM 941 O LYS A 60 -2.976 6.439 -7.990 1.00 0.00 O ATOM 942 CB LYS A 60 -2.429 8.782 -9.726 1.00 0.00 C ATOM 943 CG LYS A 60 -2.892 9.970 -10.559 1.00 0.00 C ATOM 944 CD LYS A 60 -4.409 10.050 -10.626 1.00 0.00 C ATOM 945 CE LYS A 60 -4.865 11.271 -11.403 1.00 0.00 C ATOM 946 NZ LYS A 60 -6.345 11.389 -11.423 1.00 0.00 N ATOM 0 H LYS A 60 -1.388 10.020 -7.475 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.005 8.893 -8.252 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.340 8.749 -9.732 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.779 7.863 -10.196 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.497 10.891 -10.131 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.487 9.888 -11.567 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -4.802 9.149 -11.097 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -4.818 10.086 -9.616 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -4.435 12.168 -10.957 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -4.491 11.212 -12.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.619 12.235 -11.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.755 10.545 -11.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.700 11.470 -10.449 1.00 0.00 H new ATOM 960 N PHE A 61 -1.764 7.591 -6.492 1.00 0.00 N ATOM 961 CA PHE A 61 -1.279 6.386 -5.812 1.00 0.00 C ATOM 962 C PHE A 61 -0.632 6.737 -4.476 1.00 0.00 C ATOM 963 O PHE A 61 -0.283 7.884 -4.241 1.00 0.00 O ATOM 964 CB PHE A 61 -0.271 5.633 -6.696 1.00 0.00 C ATOM 965 CG PHE A 61 0.952 6.430 -7.067 1.00 0.00 C ATOM 966 CD1 PHE A 61 0.948 7.251 -8.185 1.00 0.00 C ATOM 967 CD2 PHE A 61 2.110 6.345 -6.307 1.00 0.00 C ATOM 968 CE1 PHE A 61 2.072 7.974 -8.534 1.00 0.00 C ATOM 969 CE2 PHE A 61 3.236 7.067 -6.652 1.00 0.00 C ATOM 970 CZ PHE A 61 3.217 7.882 -7.767 1.00 0.00 C ATOM 0 H PHE A 61 -1.457 8.468 -6.072 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.138 5.741 -5.625 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.044 4.728 -6.176 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.774 5.316 -7.610 1.00 0.00 H new ATOM 0 HD1 PHE A 61 0.056 7.326 -8.789 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.131 5.707 -5.436 1.00 0.00 H new ATOM 0 HE1 PHE A 61 2.056 8.611 -9.406 1.00 0.00 H new ATOM 0 HE2 PHE A 61 4.130 6.994 -6.051 1.00 0.00 H new ATOM 0 HZ PHE A 61 4.097 8.447 -8.039 1.00 0.00 H new ATOM 980 N ALA A 62 -0.472 5.753 -3.607 1.00 0.00 N ATOM 981 CA ALA A 62 0.180 5.976 -2.323 1.00 0.00 C ATOM 982 C ALA A 62 1.498 5.216 -2.253 1.00 0.00 C ATOM 983 O ALA A 62 1.700 4.239 -2.977 1.00 0.00 O ATOM 984 CB ALA A 62 -0.727 5.562 -1.176 1.00 0.00 C ATOM 0 H ALA A 62 -0.783 4.794 -3.764 1.00 0.00 H new ATOM 0 HA ALA A 62 0.386 7.042 -2.230 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.218 5.738 -0.228 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.646 6.148 -1.209 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.968 4.503 -1.267 1.00 0.00 H new ATOM 990 N PHE A 63 2.388 5.672 -1.384 1.00 0.00 N ATOM 991 CA PHE A 63 3.677 5.022 -1.187 1.00 0.00 C ATOM 992 C PHE A 63 3.834 4.640 0.281 1.00 0.00 C ATOM 993 O PHE A 63 3.629 5.475 1.171 1.00 0.00 O ATOM 994 CB PHE A 63 4.809 5.960 -1.619 1.00 0.00 C ATOM 995 CG PHE A 63 6.166 5.312 -1.644 1.00 0.00 C ATOM 996 CD1 PHE A 63 6.524 4.473 -2.687 1.00 0.00 C ATOM 997 CD2 PHE A 63 7.082 5.551 -0.633 1.00 0.00 C ATOM 998 CE1 PHE A 63 7.772 3.884 -2.720 1.00 0.00 C ATOM 999 CE2 PHE A 63 8.331 4.962 -0.660 1.00 0.00 C ATOM 1000 CZ PHE A 63 8.676 4.127 -1.705 1.00 0.00 C ATOM 0 H PHE A 63 2.240 6.495 -0.800 1.00 0.00 H new ATOM 0 HA PHE A 63 3.725 4.120 -1.796 1.00 0.00 H new ATOM 0 HB2 PHE A 63 4.585 6.349 -2.612 1.00 0.00 H new ATOM 0 HB3 PHE A 63 4.838 6.814 -0.942 1.00 0.00 H new ATOM 0 HD1 PHE A 63 5.820 4.278 -3.482 1.00 0.00 H new ATOM 0 HD2 PHE A 63 6.817 6.205 0.185 1.00 0.00 H new ATOM 0 HE1 PHE A 63 8.041 3.234 -3.539 1.00 0.00 H new ATOM 0 HE2 PHE A 63 9.037 5.154 0.135 1.00 0.00 H new ATOM 0 HZ PHE A 63 9.652 3.665 -1.728 1.00 0.00 H new ATOM 1010 N ALA A 64 4.181 3.388 0.540 1.00 0.00 N ATOM 1011 CA ALA A 64 4.273 2.901 1.907 1.00 0.00 C ATOM 1012 C ALA A 64 5.373 1.858 2.060 1.00 0.00 C ATOM 1013 O ALA A 64 5.786 1.229 1.086 1.00 0.00 O ATOM 1014 CB ALA A 64 2.937 2.311 2.331 1.00 0.00 C ATOM 0 H ALA A 64 4.402 2.695 -0.175 1.00 0.00 H new ATOM 0 HA ALA A 64 4.525 3.745 2.549 1.00 0.00 H new ATOM 0 HB1 ALA A 64 3.009 1.947 3.356 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.165 3.078 2.272 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.678 1.484 1.670 1.00 0.00 H new ATOM 1020 N SER A 65 5.831 1.684 3.291 1.00 0.00 N ATOM 1021 CA SER A 65 6.834 0.683 3.608 1.00 0.00 C ATOM 1022 C SER A 65 6.256 -0.378 4.548 1.00 0.00 C ATOM 1023 O SER A 65 5.241 -0.150 5.212 1.00 0.00 O ATOM 1024 CB SER A 65 8.056 1.363 4.228 1.00 0.00 C ATOM 1025 OG SER A 65 7.661 2.396 5.117 1.00 0.00 O ATOM 0 H SER A 65 5.519 2.231 4.093 1.00 0.00 H new ATOM 0 HA SER A 65 7.142 0.179 2.692 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.655 0.626 4.763 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.687 1.776 3.441 1.00 0.00 H new ATOM 0 HG SER A 65 7.647 3.251 4.639 1.00 0.00 H new ATOM 1031 N VAL A 66 6.897 -1.539 4.595 1.00 0.00 N ATOM 1032 CA VAL A 66 6.408 -2.655 5.398 1.00 0.00 C ATOM 1033 C VAL A 66 6.813 -2.505 6.862 1.00 0.00 C ATOM 1034 O VAL A 66 7.996 -2.379 7.178 1.00 0.00 O ATOM 1035 CB VAL A 66 6.944 -4.003 4.866 1.00 0.00 C ATOM 1036 CG1 VAL A 66 6.342 -5.167 5.639 1.00 0.00 C ATOM 1037 CG2 VAL A 66 6.652 -4.147 3.378 1.00 0.00 C ATOM 0 H VAL A 66 7.759 -1.734 4.085 1.00 0.00 H new ATOM 0 HA VAL A 66 5.321 -2.644 5.324 1.00 0.00 H new ATOM 0 HB VAL A 66 8.024 -4.018 5.010 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.734 -6.106 5.247 1.00 0.00 H new ATOM 0 HG12 VAL A 66 6.603 -5.077 6.694 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.257 -5.153 5.531 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.037 -5.103 3.022 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.575 -4.106 3.213 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.134 -3.336 2.832 1.00 0.00 H new ATOM 1047 N VAL A 67 5.831 -2.523 7.753 1.00 0.00 N ATOM 1048 CA VAL A 67 6.093 -2.403 9.182 1.00 0.00 C ATOM 1049 C VAL A 67 5.579 -3.631 9.925 1.00 0.00 C ATOM 1050 O VAL A 67 5.129 -3.542 11.069 1.00 0.00 O ATOM 1051 CB VAL A 67 5.461 -1.127 9.777 1.00 0.00 C ATOM 1052 CG1 VAL A 67 6.164 0.110 9.247 1.00 0.00 C ATOM 1053 CG2 VAL A 67 3.970 -1.060 9.475 1.00 0.00 C ATOM 0 H VAL A 67 4.845 -2.620 7.512 1.00 0.00 H new ATOM 0 HA VAL A 67 7.173 -2.332 9.307 1.00 0.00 H new ATOM 0 HB VAL A 67 5.585 -1.164 10.859 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.706 1.001 9.677 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.218 0.075 9.522 1.00 0.00 H new ATOM 0 HG13 VAL A 67 6.073 0.143 8.161 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.552 -0.151 9.906 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.817 -1.053 8.396 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.472 -1.928 9.906 1.00 0.00 H new ATOM 1063 N GLU A 68 5.658 -4.776 9.258 1.00 0.00 N ATOM 1064 CA GLU A 68 5.254 -6.048 9.847 1.00 0.00 C ATOM 1065 C GLU A 68 6.072 -6.337 11.103 1.00 0.00 C ATOM 1066 O GLU A 68 7.283 -6.620 10.975 1.00 0.00 O ATOM 1067 CB GLU A 68 5.419 -7.182 8.825 1.00 0.00 C ATOM 1068 CG GLU A 68 5.026 -8.554 9.354 1.00 0.00 C ATOM 1069 CD GLU A 68 5.184 -9.647 8.316 1.00 0.00 C ATOM 1070 OE1 GLU A 68 6.337 -9.992 7.974 1.00 0.00 O ATOM 1071 OE2 GLU A 68 4.156 -10.172 7.834 1.00 0.00 O ATOM 1072 OXT GLU A 68 5.505 -6.268 12.215 1.00 0.00 O ATOM 0 H GLU A 68 6.001 -4.850 8.300 1.00 0.00 H new ATOM 0 HA GLU A 68 4.203 -5.984 10.129 1.00 0.00 H new ATOM 0 HB2 GLU A 68 4.815 -6.956 7.946 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.458 -7.214 8.498 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.638 -8.793 10.224 1.00 0.00 H new ATOM 0 HG3 GLU A 68 3.990 -8.526 9.692 1.00 0.00 H new