USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 412 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 43 THR OG1 : rot 83:sc= 0.277 USER MOD Set 1.2: A 44 ASN : amide:sc= 0.249 K(o=0.53,f=-0.0081) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot -101:sc= 0.0473 USER MOD Single : A 27 GLN : amide:sc= -1.65 K(o=-1.6,f=-2.6) USER MOD Single : A 35 SER OG : rot 21:sc= 0.666 USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 15:sc= 0.302 USER MOD Single : A 58 LYS NZ :NH3+ -147:sc= -0.0588 (180deg=-1.12) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 209 N GLY A 17 8.008 1.313 3.319 1.00 0.00 N ATOM 210 CA GLY A 17 7.181 2.019 4.281 1.00 0.00 C ATOM 211 C GLY A 17 5.939 1.237 4.662 1.00 0.00 C ATOM 212 O GLY A 17 5.974 0.009 4.749 1.00 0.00 O ATOM 0 HA2 GLY A 17 7.766 2.224 5.177 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.887 2.982 3.865 1.00 0.00 H new ATOM 216 N ILE A 18 4.841 1.949 4.891 1.00 0.00 N ATOM 217 CA ILE A 18 3.584 1.314 5.266 1.00 0.00 C ATOM 218 C ILE A 18 2.988 0.541 4.094 1.00 0.00 C ATOM 219 O ILE A 18 3.071 0.972 2.944 1.00 0.00 O ATOM 220 CB ILE A 18 2.555 2.348 5.760 1.00 0.00 C ATOM 221 CG1 ILE A 18 3.091 3.085 6.989 1.00 0.00 C ATOM 222 CG2 ILE A 18 1.231 1.669 6.077 1.00 0.00 C ATOM 223 CD1 ILE A 18 2.504 4.468 7.168 1.00 0.00 C ATOM 0 H ILE A 18 4.796 2.966 4.823 1.00 0.00 H new ATOM 0 HA ILE A 18 3.810 0.623 6.078 1.00 0.00 H new ATOM 0 HB ILE A 18 2.385 3.077 4.968 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.880 2.492 7.879 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.175 3.167 6.910 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.515 2.413 6.425 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.846 1.186 5.179 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.383 0.920 6.855 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.929 4.931 8.058 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.737 5.078 6.295 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.422 4.393 7.280 1.00 0.00 H new ATOM 235 N THR A 19 2.384 -0.605 4.394 1.00 0.00 N ATOM 236 CA THR A 19 1.773 -1.439 3.367 1.00 0.00 C ATOM 237 C THR A 19 0.345 -1.817 3.743 1.00 0.00 C ATOM 238 O THR A 19 0.010 -1.919 4.922 1.00 0.00 O ATOM 239 CB THR A 19 2.587 -2.725 3.130 1.00 0.00 C ATOM 240 OG1 THR A 19 2.864 -3.367 4.379 1.00 0.00 O ATOM 241 CG2 THR A 19 3.892 -2.415 2.413 1.00 0.00 C ATOM 0 H THR A 19 2.305 -0.976 5.341 1.00 0.00 H new ATOM 0 HA THR A 19 1.760 -0.851 2.449 1.00 0.00 H new ATOM 0 HB THR A 19 1.996 -3.392 2.503 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.380 -4.185 4.219 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.450 -3.338 2.257 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.677 -1.953 1.449 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.486 -1.731 3.018 1.00 0.00 H new ATOM 249 N ALA A 20 -0.493 -2.024 2.732 1.00 0.00 N ATOM 250 CA ALA A 20 -1.885 -2.393 2.957 1.00 0.00 C ATOM 251 C ALA A 20 -2.444 -3.173 1.772 1.00 0.00 C ATOM 252 O ALA A 20 -1.933 -3.079 0.657 1.00 0.00 O ATOM 253 CB ALA A 20 -2.725 -1.151 3.218 1.00 0.00 C ATOM 0 H ALA A 20 -0.232 -1.942 1.749 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.927 -3.037 3.835 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.762 -1.442 3.384 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.347 -0.635 4.100 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.668 -0.486 2.356 1.00 0.00 H new ATOM 259 N VAL A 21 -3.497 -3.945 2.022 1.00 0.00 N ATOM 260 CA VAL A 21 -4.126 -4.742 0.976 1.00 0.00 C ATOM 261 C VAL A 21 -5.564 -4.295 0.735 1.00 0.00 C ATOM 262 O VAL A 21 -6.294 -3.985 1.675 1.00 0.00 O ATOM 263 CB VAL A 21 -4.119 -6.241 1.330 1.00 0.00 C ATOM 264 CG1 VAL A 21 -4.833 -6.481 2.652 1.00 0.00 C ATOM 265 CG2 VAL A 21 -4.756 -7.055 0.215 1.00 0.00 C ATOM 0 H VAL A 21 -3.932 -4.035 2.940 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.543 -4.589 0.068 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.084 -6.566 1.439 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.818 -7.546 2.886 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.328 -5.929 3.444 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.866 -6.141 2.575 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.742 -8.112 0.482 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.787 -6.731 0.071 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.196 -6.907 -0.709 1.00 0.00 H new ATOM 275 N ALA A 22 -5.964 -4.267 -0.532 1.00 0.00 N ATOM 276 CA ALA A 22 -7.316 -3.861 -0.898 1.00 0.00 C ATOM 277 C ALA A 22 -8.331 -4.935 -0.524 1.00 0.00 C ATOM 278 O ALA A 22 -8.070 -6.129 -0.673 1.00 0.00 O ATOM 279 CB ALA A 22 -7.391 -3.555 -2.386 1.00 0.00 C ATOM 0 H ALA A 22 -5.371 -4.521 -1.322 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.561 -2.957 -0.341 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.406 -3.253 -2.645 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.700 -2.747 -2.627 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -7.121 -4.445 -2.955 1.00 0.00 H new ATOM 285 N LEU A 23 -9.490 -4.503 -0.039 1.00 0.00 N ATOM 286 CA LEU A 23 -10.546 -5.429 0.357 1.00 0.00 C ATOM 287 C LEU A 23 -11.576 -5.588 -0.757 1.00 0.00 C ATOM 288 O LEU A 23 -12.175 -6.653 -0.915 1.00 0.00 O ATOM 289 CB LEU A 23 -11.230 -4.937 1.634 1.00 0.00 C ATOM 290 CG LEU A 23 -10.320 -4.721 2.843 1.00 0.00 C ATOM 291 CD1 LEU A 23 -11.078 -4.028 3.964 1.00 0.00 C ATOM 292 CD2 LEU A 23 -9.747 -6.046 3.323 1.00 0.00 C ATOM 0 H LEU A 23 -9.722 -3.518 0.090 1.00 0.00 H new ATOM 0 HA LEU A 23 -10.091 -6.401 0.547 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -11.735 -3.997 1.412 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -12.001 -5.656 1.909 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.493 -4.079 2.541 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.414 -3.883 4.816 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -11.438 -3.060 3.615 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -11.926 -4.644 4.265 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -9.102 -5.873 4.184 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -10.561 -6.713 3.608 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.167 -6.503 2.521 1.00 0.00 H new ATOM 304 N TYR A 24 -11.776 -4.525 -1.527 1.00 0.00 N ATOM 305 CA TYR A 24 -12.733 -4.547 -2.626 1.00 0.00 C ATOM 306 C TYR A 24 -12.224 -3.728 -3.809 1.00 0.00 C ATOM 307 O TYR A 24 -11.447 -2.788 -3.639 1.00 0.00 O ATOM 308 CB TYR A 24 -14.087 -4.005 -2.162 1.00 0.00 C ATOM 309 CG TYR A 24 -14.508 -4.514 -0.803 1.00 0.00 C ATOM 310 CD1 TYR A 24 -14.052 -3.907 0.361 1.00 0.00 C ATOM 311 CD2 TYR A 24 -15.362 -5.604 -0.681 1.00 0.00 C ATOM 312 CE1 TYR A 24 -14.434 -4.369 1.605 1.00 0.00 C ATOM 313 CE2 TYR A 24 -15.751 -6.071 0.559 1.00 0.00 C ATOM 314 CZ TYR A 24 -15.284 -5.451 1.699 1.00 0.00 C ATOM 315 OH TYR A 24 -15.668 -5.915 2.937 1.00 0.00 O ATOM 0 H TYR A 24 -11.288 -3.637 -1.410 1.00 0.00 H new ATOM 0 HA TYR A 24 -12.853 -5.581 -2.948 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -14.044 -2.916 -2.136 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -14.848 -4.276 -2.894 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -13.387 -3.059 0.291 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -15.728 -6.094 -1.571 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -14.069 -3.886 2.499 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -16.417 -6.917 0.636 1.00 0.00 H new ATOM 0 HH TYR A 24 -16.269 -6.682 2.827 1.00 0.00 H new ATOM 325 N ASP A 25 -12.668 -4.092 -5.007 1.00 0.00 N ATOM 326 CA ASP A 25 -12.259 -3.392 -6.219 1.00 0.00 C ATOM 327 C ASP A 25 -12.692 -1.930 -6.174 1.00 0.00 C ATOM 328 O ASP A 25 -13.864 -1.625 -5.951 1.00 0.00 O ATOM 329 CB ASP A 25 -12.853 -4.074 -7.452 1.00 0.00 C ATOM 330 CG ASP A 25 -14.354 -3.884 -7.553 1.00 0.00 C ATOM 331 OD1 ASP A 25 -15.088 -4.537 -6.782 1.00 0.00 O ATOM 332 OD2 ASP A 25 -14.794 -3.081 -8.402 1.00 0.00 O ATOM 0 H ASP A 25 -13.311 -4.868 -5.165 1.00 0.00 H new ATOM 0 HA ASP A 25 -11.171 -3.429 -6.281 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.378 -3.675 -8.348 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.626 -5.140 -7.419 1.00 0.00 H new ATOM 337 N TYR A 26 -11.738 -1.030 -6.385 1.00 0.00 N ATOM 338 CA TYR A 26 -12.019 0.401 -6.365 1.00 0.00 C ATOM 339 C TYR A 26 -11.700 1.038 -7.713 1.00 0.00 C ATOM 340 O TYR A 26 -10.831 0.564 -8.445 1.00 0.00 O ATOM 341 CB TYR A 26 -11.212 1.085 -5.260 1.00 0.00 C ATOM 342 CG TYR A 26 -11.762 2.434 -4.855 1.00 0.00 C ATOM 343 CD1 TYR A 26 -11.500 3.569 -5.612 1.00 0.00 C ATOM 344 CD2 TYR A 26 -12.545 2.572 -3.716 1.00 0.00 C ATOM 345 CE1 TYR A 26 -12.000 4.803 -5.244 1.00 0.00 C ATOM 346 CE2 TYR A 26 -13.050 3.802 -3.341 1.00 0.00 C ATOM 347 CZ TYR A 26 -12.775 4.915 -4.109 1.00 0.00 C ATOM 348 OH TYR A 26 -13.276 6.142 -3.740 1.00 0.00 O ATOM 0 H TYR A 26 -10.763 -1.266 -6.572 1.00 0.00 H new ATOM 0 HA TYR A 26 -13.082 0.534 -6.164 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -11.186 0.435 -4.385 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -10.183 1.208 -5.596 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -10.895 3.485 -6.503 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -12.763 1.703 -3.113 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -11.785 5.676 -5.842 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -13.657 3.892 -2.452 1.00 0.00 H new ATOM 0 HH TYR A 26 -12.726 6.517 -3.021 1.00 0.00 H new ATOM 358 N GLN A 27 -12.408 2.116 -8.034 1.00 0.00 N ATOM 359 CA GLN A 27 -12.201 2.819 -9.295 1.00 0.00 C ATOM 360 C GLN A 27 -12.100 4.324 -9.068 1.00 0.00 C ATOM 361 O GLN A 27 -13.112 5.010 -8.935 1.00 0.00 O ATOM 362 CB GLN A 27 -13.341 2.513 -10.267 1.00 0.00 C ATOM 363 CG GLN A 27 -13.494 1.033 -10.579 1.00 0.00 C ATOM 364 CD GLN A 27 -12.173 0.366 -10.911 1.00 0.00 C ATOM 365 OE1 GLN A 27 -11.280 0.986 -11.489 1.00 0.00 O ATOM 366 NE2 GLN A 27 -12.043 -0.904 -10.547 1.00 0.00 N ATOM 0 H GLN A 27 -13.130 2.522 -7.439 1.00 0.00 H new ATOM 0 HA GLN A 27 -11.263 2.471 -9.727 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -14.275 2.886 -9.847 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.170 3.056 -11.197 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -13.946 0.530 -9.724 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -14.179 0.912 -11.418 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -12.809 -1.379 -10.070 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -11.177 -1.405 -10.744 1.00 0.00 H new ATOM 375 N ALA A 28 -10.872 4.830 -9.026 1.00 0.00 N ATOM 376 CA ALA A 28 -10.639 6.253 -8.817 1.00 0.00 C ATOM 377 C ALA A 28 -11.573 7.095 -9.681 1.00 0.00 C ATOM 378 O ALA A 28 -11.551 7.002 -10.907 1.00 0.00 O ATOM 379 CB ALA A 28 -9.187 6.600 -9.114 1.00 0.00 C ATOM 0 H ALA A 28 -10.023 4.275 -9.134 1.00 0.00 H new ATOM 0 HA ALA A 28 -10.849 6.480 -7.772 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.028 7.666 -8.954 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.534 6.032 -8.451 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.958 6.351 -10.150 1.00 0.00 H new ATOM 385 N ALA A 29 -12.392 7.915 -9.031 1.00 0.00 N ATOM 386 CA ALA A 29 -13.333 8.773 -9.740 1.00 0.00 C ATOM 387 C ALA A 29 -12.605 9.724 -10.685 1.00 0.00 C ATOM 388 O ALA A 29 -13.062 9.980 -11.797 1.00 0.00 O ATOM 389 CB ALA A 29 -14.182 9.557 -8.750 1.00 0.00 C ATOM 0 H ALA A 29 -12.423 8.003 -8.015 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.986 8.137 -10.338 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -14.880 10.194 -9.294 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.739 8.864 -8.119 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -13.536 10.176 -8.127 1.00 0.00 H new ATOM 395 N GLY A 30 -11.468 10.245 -10.232 1.00 0.00 N ATOM 396 CA GLY A 30 -10.696 11.162 -11.049 1.00 0.00 C ATOM 397 C GLY A 30 -9.238 10.758 -11.154 1.00 0.00 C ATOM 398 O GLY A 30 -8.896 9.591 -10.967 1.00 0.00 O ATOM 0 H GLY A 30 -11.069 10.048 -9.314 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -11.130 11.208 -12.048 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -10.763 12.165 -10.626 1.00 0.00 H new ATOM 402 N ASP A 31 -8.379 11.725 -11.456 1.00 0.00 N ATOM 403 CA ASP A 31 -6.950 11.464 -11.587 1.00 0.00 C ATOM 404 C ASP A 31 -6.281 11.406 -10.217 1.00 0.00 C ATOM 405 O ASP A 31 -5.460 10.528 -9.953 1.00 0.00 O ATOM 406 CB ASP A 31 -6.289 12.543 -12.446 1.00 0.00 C ATOM 407 CG ASP A 31 -4.785 12.589 -12.263 1.00 0.00 C ATOM 408 OD1 ASP A 31 -4.332 12.988 -11.170 1.00 0.00 O ATOM 409 OD2 ASP A 31 -4.060 12.226 -13.213 1.00 0.00 O ATOM 0 H ASP A 31 -8.647 12.696 -11.615 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.825 10.497 -12.074 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -6.519 12.359 -13.495 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -6.713 13.515 -12.193 1.00 0.00 H new ATOM 414 N ASP A 32 -6.636 12.348 -9.351 1.00 0.00 N ATOM 415 CA ASP A 32 -6.070 12.405 -8.008 1.00 0.00 C ATOM 416 C ASP A 32 -6.149 11.042 -7.327 1.00 0.00 C ATOM 417 O ASP A 32 -5.155 10.541 -6.803 1.00 0.00 O ATOM 418 CB ASP A 32 -6.802 13.452 -7.167 1.00 0.00 C ATOM 419 CG ASP A 32 -6.877 14.800 -7.858 1.00 0.00 C ATOM 420 OD1 ASP A 32 -6.024 15.068 -8.728 1.00 0.00 O ATOM 421 OD2 ASP A 32 -7.789 15.586 -7.527 1.00 0.00 O ATOM 0 H ASP A 32 -7.313 13.083 -9.555 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.021 12.688 -8.094 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.811 13.100 -6.952 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.293 13.565 -6.210 1.00 0.00 H new ATOM 426 N GLU A 33 -7.339 10.449 -7.338 1.00 0.00 N ATOM 427 CA GLU A 33 -7.547 9.145 -6.719 1.00 0.00 C ATOM 428 C GLU A 33 -6.900 8.039 -7.549 1.00 0.00 C ATOM 429 O GLU A 33 -6.723 8.180 -8.759 1.00 0.00 O ATOM 430 CB GLU A 33 -9.043 8.866 -6.557 1.00 0.00 C ATOM 431 CG GLU A 33 -9.700 9.687 -5.461 1.00 0.00 C ATOM 432 CD GLU A 33 -11.209 9.535 -5.443 1.00 0.00 C ATOM 433 OE1 GLU A 33 -11.835 9.695 -6.511 1.00 0.00 O ATOM 434 OE2 GLU A 33 -11.763 9.255 -4.359 1.00 0.00 O ATOM 0 H GLU A 33 -8.172 10.850 -7.768 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.078 9.159 -5.735 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.546 9.069 -7.502 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.185 7.807 -6.341 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.297 9.385 -4.495 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -9.446 10.738 -5.598 1.00 0.00 H new ATOM 441 N ILE A 34 -6.548 6.942 -6.888 1.00 0.00 N ATOM 442 CA ILE A 34 -5.920 5.813 -7.564 1.00 0.00 C ATOM 443 C ILE A 34 -6.868 4.620 -7.638 1.00 0.00 C ATOM 444 O ILE A 34 -7.718 4.435 -6.767 1.00 0.00 O ATOM 445 CB ILE A 34 -4.624 5.380 -6.852 1.00 0.00 C ATOM 446 CG1 ILE A 34 -4.900 5.088 -5.376 1.00 0.00 C ATOM 447 CG2 ILE A 34 -3.558 6.456 -6.994 1.00 0.00 C ATOM 448 CD1 ILE A 34 -3.742 4.424 -4.665 1.00 0.00 C ATOM 0 H ILE A 34 -6.687 6.811 -5.886 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.677 6.145 -8.573 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.257 4.467 -7.321 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.140 6.022 -4.868 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.779 4.448 -5.299 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.648 6.136 -6.486 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.345 6.620 -8.050 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.916 7.384 -6.547 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.008 4.247 -3.623 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.515 3.474 -5.148 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.867 5.072 -4.711 1.00 0.00 H new ATOM 460 N SER A 35 -6.715 3.814 -8.684 1.00 0.00 N ATOM 461 CA SER A 35 -7.559 2.640 -8.873 1.00 0.00 C ATOM 462 C SER A 35 -6.740 1.358 -8.756 1.00 0.00 C ATOM 463 O SER A 35 -5.748 1.175 -9.462 1.00 0.00 O ATOM 464 CB SER A 35 -8.248 2.696 -10.238 1.00 0.00 C ATOM 465 OG SER A 35 -7.332 2.420 -11.283 1.00 0.00 O ATOM 0 H SER A 35 -6.015 3.952 -9.413 1.00 0.00 H new ATOM 0 HA SER A 35 -8.318 2.638 -8.091 1.00 0.00 H new ATOM 0 HB2 SER A 35 -9.065 1.975 -10.266 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.688 3.682 -10.387 1.00 0.00 H new ATOM 0 HG SER A 35 -6.556 1.943 -10.921 1.00 0.00 H new ATOM 471 N PHE A 36 -7.163 0.473 -7.860 1.00 0.00 N ATOM 472 CA PHE A 36 -6.469 -0.792 -7.649 1.00 0.00 C ATOM 473 C PHE A 36 -7.460 -1.950 -7.573 1.00 0.00 C ATOM 474 O PHE A 36 -8.654 -1.746 -7.351 1.00 0.00 O ATOM 475 CB PHE A 36 -5.637 -0.734 -6.366 1.00 0.00 C ATOM 476 CG PHE A 36 -6.247 0.123 -5.294 1.00 0.00 C ATOM 477 CD1 PHE A 36 -7.463 -0.218 -4.725 1.00 0.00 C ATOM 478 CD2 PHE A 36 -5.604 1.269 -4.856 1.00 0.00 C ATOM 479 CE1 PHE A 36 -8.027 0.570 -3.739 1.00 0.00 C ATOM 480 CE2 PHE A 36 -6.162 2.061 -3.870 1.00 0.00 C ATOM 481 CZ PHE A 36 -7.375 1.710 -3.310 1.00 0.00 C ATOM 0 H PHE A 36 -7.983 0.608 -7.268 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.805 -0.959 -8.497 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.507 -1.745 -5.981 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.644 -0.353 -6.603 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.976 -1.109 -5.055 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.655 1.547 -5.290 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -8.977 0.295 -3.304 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.651 2.952 -3.538 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.813 2.326 -2.538 1.00 0.00 H new ATOM 491 N ASP A 37 -6.957 -3.165 -7.760 1.00 0.00 N ATOM 492 CA ASP A 37 -7.797 -4.356 -7.713 1.00 0.00 C ATOM 493 C ASP A 37 -7.960 -4.849 -6.278 1.00 0.00 C ATOM 494 O ASP A 37 -7.184 -4.507 -5.386 1.00 0.00 O ATOM 495 CB ASP A 37 -7.197 -5.464 -8.581 1.00 0.00 C ATOM 496 CG ASP A 37 -5.685 -5.381 -8.662 1.00 0.00 C ATOM 497 OD1 ASP A 37 -5.010 -5.993 -7.807 1.00 0.00 O ATOM 498 OD2 ASP A 37 -5.177 -4.706 -9.581 1.00 0.00 O ATOM 0 H ASP A 37 -5.971 -3.351 -7.946 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.781 -4.093 -8.102 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.484 -6.434 -8.176 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.616 -5.402 -9.585 1.00 0.00 H new ATOM 503 N PRO A 38 -8.995 -5.672 -6.049 1.00 0.00 N ATOM 504 CA PRO A 38 -9.285 -6.229 -4.725 1.00 0.00 C ATOM 505 C PRO A 38 -8.245 -7.255 -4.287 1.00 0.00 C ATOM 506 O PRO A 38 -7.896 -8.161 -5.045 1.00 0.00 O ATOM 507 CB PRO A 38 -10.649 -6.897 -4.912 1.00 0.00 C ATOM 508 CG PRO A 38 -10.719 -7.215 -6.366 1.00 0.00 C ATOM 509 CD PRO A 38 -9.960 -6.122 -7.066 1.00 0.00 C ATOM 0 HA PRO A 38 -9.273 -5.463 -3.949 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -10.735 -7.798 -4.305 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.460 -6.233 -4.613 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -10.279 -8.190 -6.574 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.753 -7.253 -6.708 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.458 -6.491 -7.961 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.619 -5.313 -7.381 1.00 0.00 H new ATOM 517 N ASP A 39 -7.755 -7.108 -3.061 1.00 0.00 N ATOM 518 CA ASP A 39 -6.756 -8.023 -2.522 1.00 0.00 C ATOM 519 C ASP A 39 -5.385 -7.753 -3.135 1.00 0.00 C ATOM 520 O ASP A 39 -4.567 -8.663 -3.275 1.00 0.00 O ATOM 521 CB ASP A 39 -7.168 -9.473 -2.782 1.00 0.00 C ATOM 522 CG ASP A 39 -6.438 -10.452 -1.885 1.00 0.00 C ATOM 523 OD1 ASP A 39 -5.246 -10.717 -2.142 1.00 0.00 O ATOM 524 OD2 ASP A 39 -7.060 -10.955 -0.925 1.00 0.00 O ATOM 0 H ASP A 39 -8.034 -6.364 -2.422 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.692 -7.859 -1.446 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.242 -9.575 -2.628 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.970 -9.723 -3.824 1.00 0.00 H new ATOM 529 N ASP A 40 -5.142 -6.499 -3.498 1.00 0.00 N ATOM 530 CA ASP A 40 -3.870 -6.109 -4.096 1.00 0.00 C ATOM 531 C ASP A 40 -2.864 -5.711 -3.021 1.00 0.00 C ATOM 532 O ASP A 40 -3.192 -5.671 -1.834 1.00 0.00 O ATOM 533 CB ASP A 40 -4.075 -4.951 -5.073 1.00 0.00 C ATOM 534 CG ASP A 40 -3.035 -4.933 -6.176 1.00 0.00 C ATOM 535 OD1 ASP A 40 -2.409 -5.986 -6.420 1.00 0.00 O ATOM 536 OD2 ASP A 40 -2.847 -3.865 -6.796 1.00 0.00 O ATOM 0 H ASP A 40 -5.809 -5.735 -3.389 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.474 -6.967 -4.640 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.068 -5.024 -5.516 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.038 -4.008 -4.527 1.00 0.00 H new ATOM 541 N ILE A 41 -1.638 -5.420 -3.443 1.00 0.00 N ATOM 542 CA ILE A 41 -0.584 -5.026 -2.516 1.00 0.00 C ATOM 543 C ILE A 41 -0.128 -3.595 -2.780 1.00 0.00 C ATOM 544 O ILE A 41 0.136 -3.217 -3.922 1.00 0.00 O ATOM 545 CB ILE A 41 0.631 -5.967 -2.613 1.00 0.00 C ATOM 546 CG1 ILE A 41 0.209 -7.411 -2.332 1.00 0.00 C ATOM 547 CG2 ILE A 41 1.718 -5.529 -1.643 1.00 0.00 C ATOM 548 CD1 ILE A 41 -0.509 -7.584 -1.012 1.00 0.00 C ATOM 0 H ILE A 41 -1.350 -5.450 -4.421 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.004 -5.092 -1.512 1.00 0.00 H new ATOM 0 HB ILE A 41 1.032 -5.916 -3.625 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.440 -7.755 -3.137 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.093 -8.048 -2.342 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.570 -6.204 -1.723 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.034 -4.514 -1.885 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.329 -5.555 -0.625 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.778 -8.632 -0.879 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.145 -7.271 -0.198 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.412 -6.974 -1.006 1.00 0.00 H new ATOM 560 N ILE A 42 -0.035 -2.804 -1.716 1.00 0.00 N ATOM 561 CA ILE A 42 0.393 -1.416 -1.832 1.00 0.00 C ATOM 562 C ILE A 42 1.562 -1.121 -0.899 1.00 0.00 C ATOM 563 O ILE A 42 1.653 -1.677 0.196 1.00 0.00 O ATOM 564 CB ILE A 42 -0.759 -0.443 -1.517 1.00 0.00 C ATOM 565 CG1 ILE A 42 -1.903 -0.633 -2.514 1.00 0.00 C ATOM 566 CG2 ILE A 42 -0.260 0.994 -1.541 1.00 0.00 C ATOM 567 CD1 ILE A 42 -2.916 -1.670 -2.082 1.00 0.00 C ATOM 0 H ILE A 42 -0.250 -3.101 -0.764 1.00 0.00 H new ATOM 0 HA ILE A 42 0.710 -1.269 -2.865 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.135 -0.659 -0.517 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.411 0.321 -2.658 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.488 -0.922 -3.480 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.085 1.670 -1.317 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.525 1.119 -0.795 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.139 1.224 -2.529 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.698 -1.751 -2.837 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.422 -2.635 -1.966 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.359 -1.372 -1.132 1.00 0.00 H new ATOM 579 N THR A 43 2.456 -0.240 -1.338 1.00 0.00 N ATOM 580 CA THR A 43 3.620 0.130 -0.543 1.00 0.00 C ATOM 581 C THR A 43 3.863 1.634 -0.591 1.00 0.00 C ATOM 582 O THR A 43 3.402 2.318 -1.504 1.00 0.00 O ATOM 583 CB THR A 43 4.887 -0.600 -1.028 1.00 0.00 C ATOM 584 OG1 THR A 43 5.175 -0.234 -2.382 1.00 0.00 O ATOM 585 CG2 THR A 43 4.714 -2.108 -0.931 1.00 0.00 C ATOM 0 H THR A 43 2.396 0.231 -2.241 1.00 0.00 H new ATOM 0 HA THR A 43 3.409 -0.168 0.484 1.00 0.00 H new ATOM 0 HB THR A 43 5.718 -0.304 -0.387 1.00 0.00 H new ATOM 0 HG1 THR A 43 5.663 0.616 -2.394 1.00 0.00 H new ATOM 0 HG21 THR A 43 5.621 -2.601 -1.279 1.00 0.00 H new ATOM 0 HG22 THR A 43 4.524 -2.387 0.106 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.872 -2.418 -1.550 1.00 0.00 H new ATOM 593 N ASN A 44 4.591 2.143 0.398 1.00 0.00 N ATOM 594 CA ASN A 44 4.896 3.567 0.467 1.00 0.00 C ATOM 595 C ASN A 44 3.628 4.384 0.696 1.00 0.00 C ATOM 596 O ASN A 44 3.418 5.415 0.056 1.00 0.00 O ATOM 597 CB ASN A 44 5.586 4.026 -0.819 1.00 0.00 C ATOM 598 CG ASN A 44 6.778 3.159 -1.176 1.00 0.00 C ATOM 599 OD1 ASN A 44 6.747 2.414 -2.155 1.00 0.00 O ATOM 600 ND2 ASN A 44 7.837 3.252 -0.380 1.00 0.00 N ATOM 0 H ASN A 44 4.980 1.591 1.162 1.00 0.00 H new ATOM 0 HA ASN A 44 5.569 3.728 1.309 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.869 4.008 -1.639 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.913 5.059 -0.704 1.00 0.00 H new ATOM 0 HD21 ASN A 44 8.668 2.692 -0.570 1.00 0.00 H new ATOM 0 HD22 ASN A 44 7.819 3.883 0.421 1.00 0.00 H new ATOM 607 N ILE A 45 2.787 3.917 1.613 1.00 0.00 N ATOM 608 CA ILE A 45 1.541 4.606 1.928 1.00 0.00 C ATOM 609 C ILE A 45 1.794 5.824 2.810 1.00 0.00 C ATOM 610 O ILE A 45 2.770 5.869 3.557 1.00 0.00 O ATOM 611 CB ILE A 45 0.545 3.670 2.637 1.00 0.00 C ATOM 612 CG1 ILE A 45 0.101 2.551 1.692 1.00 0.00 C ATOM 613 CG2 ILE A 45 -0.658 4.457 3.136 1.00 0.00 C ATOM 614 CD1 ILE A 45 -0.669 1.447 2.381 1.00 0.00 C ATOM 0 H ILE A 45 2.946 3.065 2.151 1.00 0.00 H new ATOM 0 HA ILE A 45 1.111 4.930 0.980 1.00 0.00 H new ATOM 0 HB ILE A 45 1.042 3.219 3.496 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.519 2.977 0.903 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.980 2.123 1.210 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.353 3.782 3.635 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.327 5.221 3.839 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.157 4.933 2.292 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.951 0.689 1.650 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.045 0.994 3.151 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.567 1.861 2.839 1.00 0.00 H new ATOM 626 N GLU A 46 0.905 6.808 2.719 1.00 0.00 N ATOM 627 CA GLU A 46 1.031 8.026 3.510 1.00 0.00 C ATOM 628 C GLU A 46 -0.271 8.337 4.241 1.00 0.00 C ATOM 629 O GLU A 46 -1.354 8.262 3.662 1.00 0.00 O ATOM 630 CB GLU A 46 1.420 9.204 2.614 1.00 0.00 C ATOM 631 CG GLU A 46 2.917 9.325 2.382 1.00 0.00 C ATOM 632 CD GLU A 46 3.636 9.983 3.544 1.00 0.00 C ATOM 633 OE1 GLU A 46 3.451 9.529 4.692 1.00 0.00 O ATOM 634 OE2 GLU A 46 4.385 10.954 3.304 1.00 0.00 O ATOM 0 H GLU A 46 0.090 6.785 2.106 1.00 0.00 H new ATOM 0 HA GLU A 46 1.814 7.868 4.251 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.919 9.098 1.652 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.055 10.127 3.064 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.336 8.333 2.215 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.095 9.903 1.475 1.00 0.00 H new ATOM 641 N MET A 47 -0.157 8.686 5.519 1.00 0.00 N ATOM 642 CA MET A 47 -1.325 9.009 6.330 1.00 0.00 C ATOM 643 C MET A 47 -1.548 10.517 6.386 1.00 0.00 C ATOM 644 O MET A 47 -0.866 11.227 7.126 1.00 0.00 O ATOM 645 CB MET A 47 -1.158 8.454 7.746 1.00 0.00 C ATOM 646 CG MET A 47 -0.984 6.944 7.790 1.00 0.00 C ATOM 647 SD MET A 47 -1.111 6.279 9.461 1.00 0.00 S ATOM 648 CE MET A 47 -1.523 4.570 9.115 1.00 0.00 C ATOM 0 H MET A 47 0.732 8.752 6.015 1.00 0.00 H new ATOM 0 HA MET A 47 -2.197 8.548 5.867 1.00 0.00 H new ATOM 0 HB2 MET A 47 -0.293 8.925 8.212 1.00 0.00 H new ATOM 0 HB3 MET A 47 -2.029 8.729 8.340 1.00 0.00 H new ATOM 0 HG2 MET A 47 -1.740 6.477 7.159 1.00 0.00 H new ATOM 0 HG3 MET A 47 -0.012 6.682 7.372 1.00 0.00 H new ATOM 0 HE1 MET A 47 -1.635 4.026 10.053 1.00 0.00 H new ATOM 0 HE2 MET A 47 -2.458 4.527 8.557 1.00 0.00 H new ATOM 0 HE3 MET A 47 -0.727 4.116 8.525 1.00 0.00 H new ATOM 658 N ILE A 48 -2.504 10.999 5.599 1.00 0.00 N ATOM 659 CA ILE A 48 -2.816 12.422 5.561 1.00 0.00 C ATOM 660 C ILE A 48 -4.090 12.727 6.342 1.00 0.00 C ATOM 661 O ILE A 48 -4.067 13.479 7.317 1.00 0.00 O ATOM 662 CB ILE A 48 -2.983 12.922 4.114 1.00 0.00 C ATOM 663 CG1 ILE A 48 -1.691 12.705 3.324 1.00 0.00 C ATOM 664 CG2 ILE A 48 -3.375 14.392 4.104 1.00 0.00 C ATOM 665 CD1 ILE A 48 -1.845 12.939 1.837 1.00 0.00 C ATOM 0 H ILE A 48 -3.076 10.425 4.979 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.977 12.942 6.023 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.779 12.350 3.637 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.922 13.373 3.711 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.341 11.686 3.489 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.489 14.731 3.074 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.318 14.521 4.635 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.599 14.979 4.595 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.890 12.767 1.341 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.591 12.253 1.436 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.165 13.966 1.662 1.00 0.00 H new ATOM 677 N ASP A 49 -5.198 12.137 5.910 1.00 0.00 N ATOM 678 CA ASP A 49 -6.482 12.343 6.571 1.00 0.00 C ATOM 679 C ASP A 49 -6.855 11.133 7.421 1.00 0.00 C ATOM 680 O ASP A 49 -6.241 10.071 7.312 1.00 0.00 O ATOM 681 CB ASP A 49 -7.575 12.611 5.535 1.00 0.00 C ATOM 682 CG ASP A 49 -7.716 14.085 5.210 1.00 0.00 C ATOM 683 OD1 ASP A 49 -6.855 14.615 4.478 1.00 0.00 O ATOM 684 OD2 ASP A 49 -8.687 14.708 5.689 1.00 0.00 O ATOM 0 H ASP A 49 -5.234 11.512 5.105 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.392 13.210 7.225 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.349 12.061 4.622 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -8.526 12.232 5.908 1.00 0.00 H new ATOM 689 N ASP A 50 -7.865 11.301 8.269 1.00 0.00 N ATOM 690 CA ASP A 50 -8.320 10.222 9.138 1.00 0.00 C ATOM 691 C ASP A 50 -9.295 9.307 8.404 1.00 0.00 C ATOM 692 O ASP A 50 -10.195 8.728 9.010 1.00 0.00 O ATOM 693 CB ASP A 50 -8.985 10.795 10.391 1.00 0.00 C ATOM 694 CG ASP A 50 -7.986 11.092 11.492 1.00 0.00 C ATOM 695 OD1 ASP A 50 -7.094 11.938 11.272 1.00 0.00 O ATOM 696 OD2 ASP A 50 -8.094 10.477 12.574 1.00 0.00 O ATOM 0 H ASP A 50 -8.383 12.173 8.373 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.450 9.635 9.433 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.517 11.710 10.130 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.728 10.088 10.760 1.00 0.00 H new ATOM 701 N GLY A 51 -9.109 9.182 7.094 1.00 0.00 N ATOM 702 CA GLY A 51 -9.979 8.336 6.298 1.00 0.00 C ATOM 703 C GLY A 51 -9.375 7.985 4.953 1.00 0.00 C ATOM 704 O GLY A 51 -9.612 6.899 4.424 1.00 0.00 O ATOM 0 H GLY A 51 -8.371 9.652 6.569 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.191 7.419 6.848 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.932 8.843 6.144 1.00 0.00 H new ATOM 708 N TRP A 52 -8.595 8.905 4.398 1.00 0.00 N ATOM 709 CA TRP A 52 -7.957 8.687 3.105 1.00 0.00 C ATOM 710 C TRP A 52 -6.438 8.724 3.234 1.00 0.00 C ATOM 711 O TRP A 52 -5.895 9.453 4.063 1.00 0.00 O ATOM 712 CB TRP A 52 -8.421 9.742 2.099 1.00 0.00 C ATOM 713 CG TRP A 52 -9.884 9.657 1.782 1.00 0.00 C ATOM 714 CD1 TRP A 52 -10.923 9.940 2.622 1.00 0.00 C ATOM 715 CD2 TRP A 52 -10.468 9.261 0.536 1.00 0.00 C ATOM 716 NE1 TRP A 52 -12.118 9.743 1.974 1.00 0.00 N ATOM 717 CE2 TRP A 52 -11.867 9.328 0.693 1.00 0.00 C ATOM 718 CE3 TRP A 52 -9.947 8.858 -0.696 1.00 0.00 C ATOM 719 CZ2 TRP A 52 -12.747 9.005 -0.337 1.00 0.00 C ATOM 720 CZ3 TRP A 52 -10.822 8.539 -1.717 1.00 0.00 C ATOM 721 CH2 TRP A 52 -12.209 8.614 -1.533 1.00 0.00 C ATOM 0 H TRP A 52 -8.389 9.809 4.823 1.00 0.00 H new ATOM 0 HA TRP A 52 -8.249 7.700 2.746 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -8.199 10.733 2.494 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -7.850 9.631 1.177 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -10.820 10.270 3.645 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -13.043 9.883 2.381 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -8.879 8.797 -0.848 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -13.816 9.061 -0.197 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -10.430 8.226 -2.674 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -12.866 8.358 -2.351 1.00 0.00 H new ATOM 732 N TRP A 53 -5.760 7.934 2.410 1.00 0.00 N ATOM 733 CA TRP A 53 -4.302 7.877 2.433 1.00 0.00 C ATOM 734 C TRP A 53 -3.732 7.957 1.022 1.00 0.00 C ATOM 735 O TRP A 53 -4.471 7.889 0.039 1.00 0.00 O ATOM 736 CB TRP A 53 -3.833 6.591 3.115 1.00 0.00 C ATOM 737 CG TRP A 53 -4.286 6.472 4.538 1.00 0.00 C ATOM 738 CD1 TRP A 53 -4.442 7.490 5.436 1.00 0.00 C ATOM 739 CD2 TRP A 53 -4.641 5.269 5.227 1.00 0.00 C ATOM 740 NE1 TRP A 53 -4.873 6.991 6.642 1.00 0.00 N ATOM 741 CE2 TRP A 53 -5.003 5.631 6.540 1.00 0.00 C ATOM 742 CE3 TRP A 53 -4.690 3.920 4.863 1.00 0.00 C ATOM 743 CZ2 TRP A 53 -5.406 4.693 7.486 1.00 0.00 C ATOM 744 CZ3 TRP A 53 -5.090 2.991 5.804 1.00 0.00 C ATOM 745 CH2 TRP A 53 -5.445 3.380 7.103 1.00 0.00 C ATOM 0 H TRP A 53 -6.195 7.324 1.718 1.00 0.00 H new ATOM 0 HA TRP A 53 -3.938 8.734 3.000 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -4.202 5.734 2.551 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -2.744 6.548 3.083 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -4.254 8.533 5.229 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -5.065 7.544 7.478 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -4.420 3.610 3.864 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -5.678 4.991 8.488 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -5.130 1.946 5.534 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -5.755 2.629 7.815 1.00 0.00 H new ATOM 756 N ARG A 54 -2.414 8.101 0.928 1.00 0.00 N ATOM 757 CA ARG A 54 -1.746 8.191 -0.365 1.00 0.00 C ATOM 758 C ARG A 54 -0.550 7.245 -0.425 1.00 0.00 C ATOM 759 O ARG A 54 0.371 7.340 0.385 1.00 0.00 O ATOM 760 CB ARG A 54 -1.288 9.627 -0.627 1.00 0.00 C ATOM 761 CG ARG A 54 -2.378 10.519 -1.199 1.00 0.00 C ATOM 762 CD ARG A 54 -1.797 11.781 -1.817 1.00 0.00 C ATOM 763 NE ARG A 54 -2.708 12.385 -2.786 1.00 0.00 N ATOM 764 CZ ARG A 54 -2.682 13.671 -3.117 1.00 0.00 C ATOM 765 NH1 ARG A 54 -1.795 14.484 -2.560 1.00 0.00 N ATOM 766 NH2 ARG A 54 -3.543 14.146 -4.007 1.00 0.00 N ATOM 0 H ARG A 54 -1.788 8.158 1.731 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.459 7.898 -1.136 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.928 10.060 0.306 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.445 9.610 -1.317 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.941 9.969 -1.953 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.080 10.789 -0.410 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.576 12.501 -1.030 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.853 11.543 -2.306 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.402 11.786 -3.233 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.131 14.122 -1.876 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.777 15.471 -2.816 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -4.226 13.523 -4.438 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.522 15.134 -4.260 1.00 0.00 H new ATOM 780 N GLY A 55 -0.572 6.332 -1.391 1.00 0.00 N ATOM 781 CA GLY A 55 0.515 5.382 -1.539 1.00 0.00 C ATOM 782 C GLY A 55 0.800 5.047 -2.990 1.00 0.00 C ATOM 783 O GLY A 55 0.009 5.372 -3.876 1.00 0.00 O ATOM 0 H GLY A 55 -1.323 6.233 -2.074 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.415 5.791 -1.080 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.270 4.467 -1.000 1.00 0.00 H new ATOM 787 N VAL A 56 1.933 4.398 -3.235 1.00 0.00 N ATOM 788 CA VAL A 56 2.321 4.020 -4.588 1.00 0.00 C ATOM 789 C VAL A 56 1.836 2.615 -4.927 1.00 0.00 C ATOM 790 O VAL A 56 2.385 1.624 -4.444 1.00 0.00 O ATOM 791 CB VAL A 56 3.849 4.082 -4.773 1.00 0.00 C ATOM 792 CG1 VAL A 56 4.232 3.699 -6.194 1.00 0.00 C ATOM 793 CG2 VAL A 56 4.371 5.468 -4.426 1.00 0.00 C ATOM 0 H VAL A 56 2.599 4.123 -2.513 1.00 0.00 H new ATOM 0 HA VAL A 56 1.852 4.736 -5.263 1.00 0.00 H new ATOM 0 HB VAL A 56 4.309 3.364 -4.094 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.315 3.749 -6.305 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.892 2.684 -6.401 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.763 4.389 -6.896 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.452 5.494 -4.562 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.905 6.206 -5.079 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.130 5.698 -3.388 1.00 0.00 H new ATOM 803 N CYS A 57 0.804 2.536 -5.760 1.00 0.00 N ATOM 804 CA CYS A 57 0.244 1.252 -6.164 1.00 0.00 C ATOM 805 C CYS A 57 0.424 1.027 -7.661 1.00 0.00 C ATOM 806 O CYS A 57 0.055 1.873 -8.476 1.00 0.00 O ATOM 807 CB CYS A 57 -1.240 1.182 -5.800 1.00 0.00 C ATOM 808 SG CYS A 57 -2.337 1.934 -7.024 1.00 0.00 S ATOM 0 H CYS A 57 0.338 3.346 -6.169 1.00 0.00 H new ATOM 0 HA CYS A 57 0.779 0.466 -5.630 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.522 0.137 -5.669 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -1.391 1.676 -4.840 1.00 0.00 H new ATOM 0 HG CYS A 57 -1.686 2.122 -8.133 1.00 0.00 H new ATOM 814 N LYS A 58 0.994 -0.119 -8.018 1.00 0.00 N ATOM 815 CA LYS A 58 1.224 -0.457 -9.417 1.00 0.00 C ATOM 816 C LYS A 58 1.865 0.711 -10.161 1.00 0.00 C ATOM 817 O LYS A 58 1.729 0.834 -11.377 1.00 0.00 O ATOM 818 CB LYS A 58 -0.093 -0.845 -10.093 1.00 0.00 C ATOM 819 CG LYS A 58 -0.464 -2.306 -9.909 1.00 0.00 C ATOM 820 CD LYS A 58 -1.718 -2.666 -10.688 1.00 0.00 C ATOM 821 CE LYS A 58 -1.390 -3.059 -12.121 1.00 0.00 C ATOM 822 NZ LYS A 58 -1.394 -1.882 -13.033 1.00 0.00 N ATOM 0 H LYS A 58 1.305 -0.830 -7.356 1.00 0.00 H new ATOM 0 HA LYS A 58 1.907 -1.306 -9.452 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.894 -0.223 -9.694 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.022 -0.628 -11.159 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.363 -2.936 -10.237 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.621 -2.512 -8.850 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.232 -3.490 -10.192 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.403 -1.818 -10.690 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.412 -3.539 -12.151 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.116 -3.793 -12.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.722 -2.174 -13.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.031 -1.152 -12.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.431 -1.496 -13.106 1.00 0.00 H new ATOM 836 N GLY A 59 2.565 1.566 -9.421 1.00 0.00 N ATOM 837 CA GLY A 59 3.216 2.711 -10.028 1.00 0.00 C ATOM 838 C GLY A 59 2.303 3.917 -10.119 1.00 0.00 C ATOM 839 O GLY A 59 2.350 4.668 -11.093 1.00 0.00 O ATOM 0 H GLY A 59 2.692 1.485 -8.412 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.101 2.972 -9.447 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.559 2.443 -11.027 1.00 0.00 H new ATOM 843 N ARG A 60 1.467 4.103 -9.102 1.00 0.00 N ATOM 844 CA ARG A 60 0.536 5.224 -9.073 1.00 0.00 C ATOM 845 C ARG A 60 0.363 5.751 -7.652 1.00 0.00 C ATOM 846 O ARG A 60 0.012 5.002 -6.740 1.00 0.00 O ATOM 847 CB ARG A 60 -0.821 4.803 -9.641 1.00 0.00 C ATOM 848 CG ARG A 60 -0.894 4.873 -11.158 1.00 0.00 C ATOM 849 CD ARG A 60 -2.305 5.180 -11.634 1.00 0.00 C ATOM 850 NE ARG A 60 -2.583 4.589 -12.940 1.00 0.00 N ATOM 851 CZ ARG A 60 -3.659 4.877 -13.663 1.00 0.00 C ATOM 852 NH1 ARG A 60 -4.554 5.743 -13.210 1.00 0.00 N ATOM 853 NH2 ARG A 60 -3.842 4.298 -14.843 1.00 0.00 N ATOM 0 H ARG A 60 1.416 3.491 -8.287 1.00 0.00 H new ATOM 0 HA ARG A 60 0.949 6.022 -9.690 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.039 3.784 -9.322 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.596 5.442 -9.218 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.211 5.641 -11.521 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.563 3.925 -11.583 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -3.023 4.804 -10.906 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.442 6.260 -11.688 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.914 3.918 -13.318 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -4.417 6.190 -12.304 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -5.379 5.962 -13.768 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.156 3.631 -15.196 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -4.669 4.520 -15.397 1.00 0.00 H new ATOM 867 N TYR A 61 0.613 7.043 -7.470 1.00 0.00 N ATOM 868 CA TYR A 61 0.488 7.669 -6.160 1.00 0.00 C ATOM 869 C TYR A 61 -0.676 8.656 -6.136 1.00 0.00 C ATOM 870 O TYR A 61 -0.624 9.710 -6.768 1.00 0.00 O ATOM 871 CB TYR A 61 1.787 8.386 -5.788 1.00 0.00 C ATOM 872 CG TYR A 61 1.685 9.206 -4.521 1.00 0.00 C ATOM 873 CD1 TYR A 61 1.919 8.632 -3.278 1.00 0.00 C ATOM 874 CD2 TYR A 61 1.355 10.555 -4.568 1.00 0.00 C ATOM 875 CE1 TYR A 61 1.827 9.377 -2.118 1.00 0.00 C ATOM 876 CE2 TYR A 61 1.261 11.308 -3.414 1.00 0.00 C ATOM 877 CZ TYR A 61 1.497 10.714 -2.191 1.00 0.00 C ATOM 878 OH TYR A 61 1.405 11.460 -1.039 1.00 0.00 O ATOM 0 H TYR A 61 0.904 7.677 -8.214 1.00 0.00 H new ATOM 0 HA TYR A 61 0.291 6.885 -5.429 1.00 0.00 H new ATOM 0 HB2 TYR A 61 2.579 7.647 -5.669 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.080 9.038 -6.610 1.00 0.00 H new ATOM 0 HD1 TYR A 61 2.177 7.585 -3.217 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.169 11.023 -5.523 1.00 0.00 H new ATOM 0 HE1 TYR A 61 2.012 8.915 -1.160 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.004 12.356 -3.468 1.00 0.00 H new ATOM 0 HH TYR A 61 1.165 12.383 -1.265 1.00 0.00 H new ATOM 888 N GLY A 62 -1.726 8.305 -5.400 1.00 0.00 N ATOM 889 CA GLY A 62 -2.888 9.169 -5.306 1.00 0.00 C ATOM 890 C GLY A 62 -3.679 8.940 -4.033 1.00 0.00 C ATOM 891 O GLY A 62 -3.301 8.119 -3.197 1.00 0.00 O ATOM 0 H GLY A 62 -1.793 7.438 -4.867 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.567 10.210 -5.349 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.534 8.999 -6.167 1.00 0.00 H new ATOM 895 N LEU A 63 -4.781 9.667 -3.885 1.00 0.00 N ATOM 896 CA LEU A 63 -5.628 9.541 -2.704 1.00 0.00 C ATOM 897 C LEU A 63 -6.520 8.307 -2.803 1.00 0.00 C ATOM 898 O LEU A 63 -7.072 8.011 -3.863 1.00 0.00 O ATOM 899 CB LEU A 63 -6.488 10.794 -2.532 1.00 0.00 C ATOM 900 CG LEU A 63 -5.851 11.944 -1.752 1.00 0.00 C ATOM 901 CD1 LEU A 63 -6.387 13.281 -2.239 1.00 0.00 C ATOM 902 CD2 LEU A 63 -6.100 11.779 -0.260 1.00 0.00 C ATOM 0 H LEU A 63 -5.109 10.350 -4.568 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.981 9.430 -1.834 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.762 11.161 -3.521 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.413 10.509 -2.030 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.775 11.923 -1.925 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.922 14.088 -1.672 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.156 13.402 -3.297 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.467 13.313 -2.097 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.639 12.607 0.279 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.173 11.774 -0.069 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.666 10.838 0.079 1.00 0.00 H new ATOM 914 N PHE A 64 -6.657 7.592 -1.691 1.00 0.00 N ATOM 915 CA PHE A 64 -7.484 6.391 -1.652 1.00 0.00 C ATOM 916 C PHE A 64 -8.083 6.188 -0.264 1.00 0.00 C ATOM 917 O PHE A 64 -7.456 6.467 0.758 1.00 0.00 O ATOM 918 CB PHE A 64 -6.658 5.165 -2.048 1.00 0.00 C ATOM 919 CG PHE A 64 -5.625 4.783 -1.026 1.00 0.00 C ATOM 920 CD1 PHE A 64 -5.969 4.007 0.069 1.00 0.00 C ATOM 921 CD2 PHE A 64 -4.311 5.200 -1.160 1.00 0.00 C ATOM 922 CE1 PHE A 64 -5.021 3.655 1.012 1.00 0.00 C ATOM 923 CE2 PHE A 64 -3.358 4.851 -0.221 1.00 0.00 C ATOM 924 CZ PHE A 64 -3.714 4.076 0.865 1.00 0.00 C ATOM 0 H PHE A 64 -6.206 7.823 -0.806 1.00 0.00 H new ATOM 0 HA PHE A 64 -8.299 6.518 -2.365 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -7.329 4.321 -2.208 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -6.162 5.362 -2.998 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -6.989 3.673 0.187 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -4.027 5.805 -2.008 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -5.302 3.052 1.862 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -2.337 5.184 -0.337 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.971 3.799 1.599 1.00 0.00 H new ATOM 934 N PRO A 65 -9.329 5.692 -0.225 1.00 0.00 N ATOM 935 CA PRO A 65 -10.042 5.441 1.031 1.00 0.00 C ATOM 936 C PRO A 65 -9.447 4.273 1.812 1.00 0.00 C ATOM 937 O PRO A 65 -9.333 3.163 1.295 1.00 0.00 O ATOM 938 CB PRO A 65 -11.463 5.107 0.571 1.00 0.00 C ATOM 939 CG PRO A 65 -11.301 4.589 -0.816 1.00 0.00 C ATOM 940 CD PRO A 65 -10.137 5.337 -1.404 1.00 0.00 C ATOM 0 HA PRO A 65 -9.987 6.293 1.708 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.924 4.363 1.220 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -12.103 5.989 0.592 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -11.113 3.515 -0.812 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.206 4.752 -1.402 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -9.575 4.720 -2.105 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -10.463 6.223 -1.949 1.00 0.00 H new ATOM 948 N ALA A 66 -9.070 4.533 3.059 1.00 0.00 N ATOM 949 CA ALA A 66 -8.489 3.503 3.912 1.00 0.00 C ATOM 950 C ALA A 66 -9.516 2.428 4.250 1.00 0.00 C ATOM 951 O ALA A 66 -9.194 1.430 4.895 1.00 0.00 O ATOM 952 CB ALA A 66 -7.932 4.124 5.185 1.00 0.00 C ATOM 0 H ALA A 66 -9.156 5.448 3.501 1.00 0.00 H new ATOM 0 HA ALA A 66 -7.673 3.030 3.365 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.501 3.344 5.812 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.161 4.850 4.928 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.735 4.624 5.727 1.00 0.00 H new ATOM 958 N ASN A 67 -10.752 2.637 3.811 1.00 0.00 N ATOM 959 CA ASN A 67 -11.827 1.686 4.069 1.00 0.00 C ATOM 960 C ASN A 67 -11.761 0.513 3.095 1.00 0.00 C ATOM 961 O ASN A 67 -11.981 -0.637 3.476 1.00 0.00 O ATOM 962 CB ASN A 67 -13.187 2.378 3.960 1.00 0.00 C ATOM 963 CG ASN A 67 -13.494 3.243 5.167 1.00 0.00 C ATOM 964 OD1 ASN A 67 -13.726 2.736 6.265 1.00 0.00 O ATOM 965 ND2 ASN A 67 -13.498 4.556 4.969 1.00 0.00 N ATOM 0 H ASN A 67 -11.035 3.457 3.274 1.00 0.00 H new ATOM 0 HA ASN A 67 -11.703 1.302 5.082 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -13.207 2.994 3.061 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -13.967 1.625 3.848 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -13.699 5.188 5.744 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -13.300 4.933 4.042 1.00 0.00 H new ATOM 972 N TYR A 68 -11.455 0.813 1.838 1.00 0.00 N ATOM 973 CA TYR A 68 -11.362 -0.215 0.808 1.00 0.00 C ATOM 974 C TYR A 68 -10.027 -0.950 0.892 1.00 0.00 C ATOM 975 O TYR A 68 -9.684 -1.741 0.013 1.00 0.00 O ATOM 976 CB TYR A 68 -11.528 0.406 -0.579 1.00 0.00 C ATOM 977 CG TYR A 68 -12.966 0.702 -0.942 1.00 0.00 C ATOM 978 CD1 TYR A 68 -13.625 1.803 -0.407 1.00 0.00 C ATOM 979 CD2 TYR A 68 -13.666 -0.118 -1.818 1.00 0.00 C ATOM 980 CE1 TYR A 68 -14.938 2.077 -0.735 1.00 0.00 C ATOM 981 CE2 TYR A 68 -14.979 0.149 -2.152 1.00 0.00 C ATOM 982 CZ TYR A 68 -15.611 1.248 -1.608 1.00 0.00 C ATOM 983 OH TYR A 68 -16.920 1.517 -1.938 1.00 0.00 O ATOM 0 H TYR A 68 -11.267 1.760 1.508 1.00 0.00 H new ATOM 0 HA TYR A 68 -12.164 -0.934 0.975 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -10.953 1.331 -0.625 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -11.106 -0.269 -1.323 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -13.101 2.455 0.277 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -13.175 -0.980 -2.245 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -15.436 2.936 -0.310 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -15.508 -0.499 -2.835 1.00 0.00 H new ATOM 0 HH TYR A 68 -17.246 0.837 -2.564 1.00 0.00 H new ATOM 993 N VAL A 69 -9.278 -0.683 1.957 1.00 0.00 N ATOM 994 CA VAL A 69 -7.982 -1.320 2.159 1.00 0.00 C ATOM 995 C VAL A 69 -7.755 -1.650 3.630 1.00 0.00 C ATOM 996 O VAL A 69 -8.477 -1.168 4.503 1.00 0.00 O ATOM 997 CB VAL A 69 -6.833 -0.422 1.662 1.00 0.00 C ATOM 998 CG1 VAL A 69 -7.083 0.021 0.229 1.00 0.00 C ATOM 999 CG2 VAL A 69 -6.662 0.780 2.578 1.00 0.00 C ATOM 0 H VAL A 69 -9.546 -0.030 2.693 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.989 -2.243 1.580 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.909 -1.000 1.682 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.261 0.654 -0.105 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.151 -0.855 -0.416 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -8.016 0.582 0.179 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.846 1.403 2.212 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.584 1.361 2.592 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.433 0.439 3.587 1.00 0.00 H new ATOM 1009 N GLU A 70 -6.746 -2.473 3.897 1.00 0.00 N ATOM 1010 CA GLU A 70 -6.424 -2.867 5.264 1.00 0.00 C ATOM 1011 C GLU A 70 -4.918 -2.810 5.506 1.00 0.00 C ATOM 1012 O GLU A 70 -4.130 -3.319 4.708 1.00 0.00 O ATOM 1013 CB GLU A 70 -6.944 -4.278 5.547 1.00 0.00 C ATOM 1014 CG GLU A 70 -6.706 -4.739 6.975 1.00 0.00 C ATOM 1015 CD GLU A 70 -7.605 -4.036 7.973 1.00 0.00 C ATOM 1016 OE1 GLU A 70 -8.800 -3.848 7.664 1.00 0.00 O ATOM 1017 OE2 GLU A 70 -7.113 -3.673 9.062 1.00 0.00 O ATOM 0 H GLU A 70 -6.138 -2.880 3.186 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.910 -2.165 5.942 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.013 -4.311 5.337 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.463 -4.977 4.863 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.871 -5.815 7.038 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.664 -4.560 7.242 1.00 0.00 H new ATOM 1024 N LEU A 71 -4.526 -2.188 6.612 1.00 0.00 N ATOM 1025 CA LEU A 71 -3.115 -2.063 6.961 1.00 0.00 C ATOM 1026 C LEU A 71 -2.505 -3.429 7.259 1.00 0.00 C ATOM 1027 O LEU A 71 -3.098 -4.243 7.967 1.00 0.00 O ATOM 1028 CB LEU A 71 -2.948 -1.142 8.171 1.00 0.00 C ATOM 1029 CG LEU A 71 -3.222 0.343 7.927 1.00 0.00 C ATOM 1030 CD1 LEU A 71 -3.252 1.103 9.244 1.00 0.00 C ATOM 1031 CD2 LEU A 71 -2.175 0.932 6.993 1.00 0.00 C ATOM 0 H LEU A 71 -5.165 -1.762 7.283 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.592 -1.630 6.108 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.614 -1.489 8.961 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.929 -1.246 8.544 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.199 0.440 7.453 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.448 2.158 9.051 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.039 0.698 9.880 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.290 0.999 9.746 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.386 1.989 6.831 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.187 0.823 7.440 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.202 0.406 6.039 1.00 0.00 H new ATOM 1043 N ARG A 72 -1.317 -3.671 6.715 1.00 0.00 N ATOM 1044 CA ARG A 72 -0.626 -4.938 6.923 1.00 0.00 C ATOM 1045 C ARG A 72 0.412 -4.815 8.035 1.00 0.00 C ATOM 1046 O ARG A 72 1.384 -4.070 7.909 1.00 0.00 O ATOM 1047 CB ARG A 72 0.049 -5.394 5.629 1.00 0.00 C ATOM 1048 CG ARG A 72 -0.930 -5.839 4.555 1.00 0.00 C ATOM 1049 CD ARG A 72 -0.319 -6.893 3.646 1.00 0.00 C ATOM 1050 NE ARG A 72 0.729 -6.340 2.793 1.00 0.00 N ATOM 1051 CZ ARG A 72 1.515 -7.080 2.019 1.00 0.00 C ATOM 1052 NH1 ARG A 72 1.372 -8.398 1.991 1.00 0.00 N ATOM 1053 NH2 ARG A 72 2.447 -6.503 1.271 1.00 0.00 N ATOM 0 H ARG A 72 -0.813 -3.007 6.127 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.365 -5.682 7.220 1.00 0.00 H new ATOM 0 HB2 ARG A 72 0.657 -4.577 5.239 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.727 -6.217 5.854 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.829 -6.239 5.024 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -1.236 -4.978 3.961 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.095 -7.699 4.252 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.099 -7.331 3.024 1.00 0.00 H new ATOM 0 HE ARG A 72 0.865 -5.329 2.791 1.00 0.00 H new ATOM 0 HH11 ARG A 72 0.657 -8.846 2.565 1.00 0.00 H new ATOM 0 HH12 ARG A 72 1.977 -8.964 1.396 1.00 0.00 H new ATOM 0 HH21 ARG A 72 2.561 -5.490 1.290 1.00 0.00 H new ATOM 0 HH22 ARG A 72 3.050 -7.073 0.677 1.00 0.00 H new