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 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 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc=-0.00901 K(o=-0.009,f=-0.97) USER MOD Single : A 35 SER OG : rot 29:sc= 0.447 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.0754 X(o=-0.075,f=0) USER MOD Single : A 47 MET CE :methyl -164:sc= 0 (180deg=-0.0813) USER MOD Single : A 57 CYS SG : rot 9:sc= -1.42! USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 165:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.682 K(o=-0.68,f=-0.009) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 209 N GLY A 17 8.157 1.575 3.383 1.00 0.00 N ATOM 210 CA GLY A 17 7.389 2.238 4.421 1.00 0.00 C ATOM 211 C GLY A 17 6.205 1.412 4.883 1.00 0.00 C ATOM 212 O GLY A 17 6.363 0.260 5.289 1.00 0.00 O ATOM 0 HA2 GLY A 17 8.038 2.446 5.272 1.00 0.00 H new ATOM 0 HA3 GLY A 17 7.034 3.199 4.049 1.00 0.00 H new ATOM 216 N ILE A 18 5.015 2.001 4.823 1.00 0.00 N ATOM 217 CA ILE A 18 3.800 1.312 5.239 1.00 0.00 C ATOM 218 C ILE A 18 3.148 0.590 4.064 1.00 0.00 C ATOM 219 O ILE A 18 3.192 1.063 2.928 1.00 0.00 O ATOM 220 CB ILE A 18 2.782 2.289 5.856 1.00 0.00 C ATOM 221 CG1 ILE A 18 3.393 3.000 7.065 1.00 0.00 C ATOM 222 CG2 ILE A 18 1.513 1.550 6.254 1.00 0.00 C ATOM 223 CD1 ILE A 18 2.718 4.311 7.400 1.00 0.00 C ATOM 0 H ILE A 18 4.867 2.954 4.490 1.00 0.00 H new ATOM 0 HA ILE A 18 4.093 0.582 5.993 1.00 0.00 H new ATOM 0 HB ILE A 18 2.523 3.040 5.110 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.337 2.340 7.931 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.450 3.184 6.872 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.803 2.254 6.689 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.071 1.086 5.373 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.755 0.780 6.987 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.203 4.759 8.267 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.797 4.989 6.550 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.667 4.132 7.625 1.00 0.00 H new ATOM 235 N THR A 19 2.541 -0.559 4.346 1.00 0.00 N ATOM 236 CA THR A 19 1.878 -1.346 3.314 1.00 0.00 C ATOM 237 C THR A 19 0.476 -1.755 3.750 1.00 0.00 C ATOM 238 O THR A 19 0.190 -1.851 4.943 1.00 0.00 O ATOM 239 CB THR A 19 2.686 -2.611 2.968 1.00 0.00 C ATOM 240 OG1 THR A 19 2.907 -3.389 4.149 1.00 0.00 O ATOM 241 CG2 THR A 19 4.021 -2.245 2.337 1.00 0.00 C ATOM 0 H THR A 19 2.495 -0.965 5.281 1.00 0.00 H new ATOM 0 HA THR A 19 1.809 -0.714 2.429 1.00 0.00 H new ATOM 0 HB THR A 19 2.112 -3.197 2.250 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.420 -4.192 3.920 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.574 -3.155 2.101 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.848 -1.678 1.422 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.599 -1.639 3.035 1.00 0.00 H new ATOM 249 N ALA A 20 -0.395 -1.996 2.776 1.00 0.00 N ATOM 250 CA ALA A 20 -1.767 -2.398 3.060 1.00 0.00 C ATOM 251 C ALA A 20 -2.311 -3.308 1.963 1.00 0.00 C ATOM 252 O ALA A 20 -1.737 -3.400 0.878 1.00 0.00 O ATOM 253 CB ALA A 20 -2.654 -1.172 3.219 1.00 0.00 C ATOM 0 H ALA A 20 -0.175 -1.920 1.783 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.769 -2.958 3.995 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.676 -1.487 3.431 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.285 -0.560 4.042 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.638 -0.589 2.298 1.00 0.00 H new ATOM 259 N VAL A 21 -3.421 -3.979 2.254 1.00 0.00 N ATOM 260 CA VAL A 21 -4.042 -4.881 1.292 1.00 0.00 C ATOM 261 C VAL A 21 -5.482 -4.471 1.003 1.00 0.00 C ATOM 262 O VAL A 21 -6.291 -4.322 1.918 1.00 0.00 O ATOM 263 CB VAL A 21 -4.027 -6.337 1.796 1.00 0.00 C ATOM 264 CG1 VAL A 21 -5.024 -6.519 2.931 1.00 0.00 C ATOM 265 CG2 VAL A 21 -4.322 -7.299 0.656 1.00 0.00 C ATOM 0 H VAL A 21 -3.908 -3.915 3.148 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.457 -4.815 0.375 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.031 -6.560 2.180 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.000 -7.553 3.274 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.761 -5.857 3.756 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.026 -6.278 2.577 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.307 -8.323 1.031 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.305 -7.079 0.240 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.565 -7.186 -0.121 1.00 0.00 H new ATOM 275 N ALA A 22 -5.794 -4.289 -0.276 1.00 0.00 N ATOM 276 CA ALA A 22 -7.137 -3.898 -0.686 1.00 0.00 C ATOM 277 C ALA A 22 -8.157 -4.972 -0.323 1.00 0.00 C ATOM 278 O ALA A 22 -7.846 -6.164 -0.325 1.00 0.00 O ATOM 279 CB ALA A 22 -7.172 -3.617 -2.181 1.00 0.00 C ATOM 0 H ALA A 22 -5.135 -4.406 -1.046 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.402 -2.987 -0.150 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.181 -3.326 -2.473 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.479 -2.809 -2.416 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.881 -4.514 -2.727 1.00 0.00 H new ATOM 285 N LEU A 23 -9.375 -4.544 -0.012 1.00 0.00 N ATOM 286 CA LEU A 23 -10.442 -5.470 0.354 1.00 0.00 C ATOM 287 C LEU A 23 -11.443 -5.625 -0.787 1.00 0.00 C ATOM 288 O LEU A 23 -11.982 -6.709 -1.010 1.00 0.00 O ATOM 289 CB LEU A 23 -11.158 -4.982 1.614 1.00 0.00 C ATOM 290 CG LEU A 23 -10.264 -4.654 2.810 1.00 0.00 C ATOM 291 CD1 LEU A 23 -11.067 -3.973 3.907 1.00 0.00 C ATOM 292 CD2 LEU A 23 -9.599 -5.916 3.340 1.00 0.00 C ATOM 0 H LEU A 23 -9.649 -3.562 -0.006 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.993 -6.443 0.553 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -11.732 -4.091 1.359 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -11.874 -5.745 1.919 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.485 -3.967 2.479 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.413 -3.747 4.750 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -11.496 -3.048 3.523 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -11.868 -4.635 4.236 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.966 -5.664 4.191 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -10.364 -6.626 3.654 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.990 -6.363 2.555 1.00 0.00 H new ATOM 304 N TYR A 24 -11.685 -4.535 -1.506 1.00 0.00 N ATOM 305 CA TYR A 24 -12.622 -4.549 -2.624 1.00 0.00 C ATOM 306 C TYR A 24 -12.097 -3.710 -3.785 1.00 0.00 C ATOM 307 O TYR A 24 -11.288 -2.802 -3.594 1.00 0.00 O ATOM 308 CB TYR A 24 -13.988 -4.026 -2.178 1.00 0.00 C ATOM 309 CG TYR A 24 -14.392 -4.488 -0.796 1.00 0.00 C ATOM 310 CD1 TYR A 24 -13.849 -3.902 0.340 1.00 0.00 C ATOM 311 CD2 TYR A 24 -15.317 -5.511 -0.627 1.00 0.00 C ATOM 312 CE1 TYR A 24 -14.214 -4.321 1.605 1.00 0.00 C ATOM 313 CE2 TYR A 24 -15.689 -5.936 0.634 1.00 0.00 C ATOM 314 CZ TYR A 24 -15.135 -5.338 1.746 1.00 0.00 C ATOM 315 OH TYR A 24 -15.503 -5.759 3.004 1.00 0.00 O ATOM 0 H TYR A 24 -11.246 -3.630 -1.335 1.00 0.00 H new ATOM 0 HA TYR A 24 -12.728 -5.579 -2.963 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -13.975 -2.936 -2.198 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -14.743 -4.349 -2.895 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -13.129 -3.105 0.233 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -15.753 -5.982 -1.496 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -13.781 -3.855 2.478 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -16.410 -6.732 0.748 1.00 0.00 H new ATOM 0 HH TYR A 24 -16.161 -6.481 2.928 1.00 0.00 H new ATOM 325 N ASP A 25 -12.565 -4.021 -4.989 1.00 0.00 N ATOM 326 CA ASP A 25 -12.145 -3.296 -6.182 1.00 0.00 C ATOM 327 C ASP A 25 -12.618 -1.846 -6.131 1.00 0.00 C ATOM 328 O ASP A 25 -13.782 -1.572 -5.838 1.00 0.00 O ATOM 329 CB ASP A 25 -12.690 -3.979 -7.438 1.00 0.00 C ATOM 330 CG ASP A 25 -14.190 -3.812 -7.583 1.00 0.00 C ATOM 331 OD1 ASP A 25 -14.622 -2.762 -8.102 1.00 0.00 O ATOM 332 OD2 ASP A 25 -14.931 -4.732 -7.178 1.00 0.00 O ATOM 0 H ASP A 25 -13.235 -4.770 -5.164 1.00 0.00 H new ATOM 0 HA ASP A 25 -11.056 -3.303 -6.217 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.195 -3.566 -8.317 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.447 -5.041 -7.405 1.00 0.00 H new ATOM 337 N TYR A 26 -11.707 -0.922 -6.418 1.00 0.00 N ATOM 338 CA TYR A 26 -12.030 0.499 -6.401 1.00 0.00 C ATOM 339 C TYR A 26 -11.737 1.140 -7.754 1.00 0.00 C ATOM 340 O TYR A 26 -10.940 0.624 -8.537 1.00 0.00 O ATOM 341 CB TYR A 26 -11.236 1.211 -5.304 1.00 0.00 C ATOM 342 CG TYR A 26 -11.879 2.493 -4.826 1.00 0.00 C ATOM 343 CD1 TYR A 26 -11.711 3.681 -5.526 1.00 0.00 C ATOM 344 CD2 TYR A 26 -12.656 2.516 -3.674 1.00 0.00 C ATOM 345 CE1 TYR A 26 -12.296 4.855 -5.092 1.00 0.00 C ATOM 346 CE2 TYR A 26 -13.246 3.685 -3.234 1.00 0.00 C ATOM 347 CZ TYR A 26 -13.063 4.851 -3.946 1.00 0.00 C ATOM 348 OH TYR A 26 -13.649 6.018 -3.511 1.00 0.00 O ATOM 0 H TYR A 26 -10.740 -1.132 -6.665 1.00 0.00 H new ATOM 0 HA TYR A 26 -13.095 0.601 -6.194 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -11.118 0.536 -4.456 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -10.236 1.433 -5.677 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -11.113 3.687 -6.425 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -12.801 1.604 -3.113 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -12.153 5.770 -5.647 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -13.847 3.685 -2.337 1.00 0.00 H new ATOM 0 HH TYR A 26 -14.156 5.844 -2.691 1.00 0.00 H new ATOM 358 N GLN A 27 -12.386 2.269 -8.020 1.00 0.00 N ATOM 359 CA GLN A 27 -12.196 2.981 -9.278 1.00 0.00 C ATOM 360 C GLN A 27 -11.991 4.473 -9.033 1.00 0.00 C ATOM 361 O GLN A 27 -12.953 5.223 -8.871 1.00 0.00 O ATOM 362 CB GLN A 27 -13.398 2.764 -10.199 1.00 0.00 C ATOM 363 CG GLN A 27 -13.697 1.299 -10.472 1.00 0.00 C ATOM 364 CD GLN A 27 -12.655 0.645 -11.358 1.00 0.00 C ATOM 365 OE1 GLN A 27 -12.020 1.306 -12.180 1.00 0.00 O ATOM 366 NE2 GLN A 27 -12.474 -0.660 -11.196 1.00 0.00 N ATOM 0 H GLN A 27 -13.048 2.710 -7.381 1.00 0.00 H new ATOM 0 HA GLN A 27 -11.303 2.584 -9.760 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -14.277 3.229 -9.752 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.216 3.272 -11.146 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -13.753 0.761 -9.526 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -14.675 1.214 -10.945 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -13.022 -1.169 -10.503 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -11.786 -1.154 -11.765 1.00 0.00 H new ATOM 375 N ALA A 28 -10.731 4.896 -9.008 1.00 0.00 N ATOM 376 CA ALA A 28 -10.401 6.298 -8.785 1.00 0.00 C ATOM 377 C ALA A 28 -11.311 7.213 -9.597 1.00 0.00 C ATOM 378 O ALA A 28 -11.212 7.273 -10.822 1.00 0.00 O ATOM 379 CB ALA A 28 -8.942 6.558 -9.132 1.00 0.00 C ATOM 0 H ALA A 28 -9.923 4.288 -9.139 1.00 0.00 H new ATOM 0 HA ALA A 28 -10.557 6.519 -7.729 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -8.709 7.609 -8.961 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.303 5.938 -8.504 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.768 6.314 -10.180 1.00 0.00 H new ATOM 385 N ALA A 29 -12.197 7.922 -8.906 1.00 0.00 N ATOM 386 CA ALA A 29 -13.124 8.835 -9.564 1.00 0.00 C ATOM 387 C ALA A 29 -12.415 9.665 -10.629 1.00 0.00 C ATOM 388 O ALA A 29 -12.938 9.866 -11.724 1.00 0.00 O ATOM 389 CB ALA A 29 -13.787 9.743 -8.539 1.00 0.00 C ATOM 0 H ALA A 29 -12.293 7.882 -7.891 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.893 8.240 -10.057 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -14.476 10.419 -9.044 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.336 9.138 -7.818 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -13.024 10.323 -8.020 1.00 0.00 H new ATOM 395 N GLY A 30 -11.220 10.146 -10.299 1.00 0.00 N ATOM 396 CA GLY A 30 -10.459 10.949 -11.238 1.00 0.00 C ATOM 397 C GLY A 30 -8.982 10.607 -11.230 1.00 0.00 C ATOM 398 O GLY A 30 -8.591 9.523 -10.796 1.00 0.00 O ATOM 0 H GLY A 30 -10.766 9.994 -9.399 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.857 10.803 -12.242 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -10.586 12.004 -10.995 1.00 0.00 H new ATOM 402 N ASP A 31 -8.160 11.532 -11.713 1.00 0.00 N ATOM 403 CA ASP A 31 -6.717 11.322 -11.761 1.00 0.00 C ATOM 404 C ASP A 31 -6.116 11.358 -10.359 1.00 0.00 C ATOM 405 O ASP A 31 -5.278 10.527 -10.011 1.00 0.00 O ATOM 406 CB ASP A 31 -6.055 12.384 -12.641 1.00 0.00 C ATOM 407 CG ASP A 31 -6.633 13.767 -12.414 1.00 0.00 C ATOM 408 OD1 ASP A 31 -7.833 13.962 -12.701 1.00 0.00 O ATOM 409 OD2 ASP A 31 -5.886 14.654 -11.949 1.00 0.00 O ATOM 0 H ASP A 31 -8.467 12.434 -12.077 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.531 10.338 -12.191 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.984 12.403 -12.439 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -6.176 12.110 -13.689 1.00 0.00 H new ATOM 414 N ASP A 32 -6.550 12.327 -9.560 1.00 0.00 N ATOM 415 CA ASP A 32 -6.055 12.472 -8.196 1.00 0.00 C ATOM 416 C ASP A 32 -6.092 11.136 -7.460 1.00 0.00 C ATOM 417 O ASP A 32 -5.123 10.749 -6.809 1.00 0.00 O ATOM 418 CB ASP A 32 -6.883 13.510 -7.438 1.00 0.00 C ATOM 419 CG ASP A 32 -6.886 14.862 -8.123 1.00 0.00 C ATOM 420 OD1 ASP A 32 -7.030 14.898 -9.364 1.00 0.00 O ATOM 421 OD2 ASP A 32 -6.744 15.884 -7.420 1.00 0.00 O ATOM 0 H ASP A 32 -7.243 13.023 -9.833 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.020 12.811 -8.245 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.908 13.153 -7.342 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.487 13.619 -6.428 1.00 0.00 H new ATOM 426 N GLU A 33 -7.218 10.438 -7.567 1.00 0.00 N ATOM 427 CA GLU A 33 -7.382 9.147 -6.910 1.00 0.00 C ATOM 428 C GLU A 33 -6.785 8.026 -7.756 1.00 0.00 C ATOM 429 O GLU A 33 -6.678 8.146 -8.977 1.00 0.00 O ATOM 430 CB GLU A 33 -8.863 8.868 -6.645 1.00 0.00 C ATOM 431 CG GLU A 33 -9.518 9.882 -5.722 1.00 0.00 C ATOM 432 CD GLU A 33 -11.018 9.972 -5.926 1.00 0.00 C ATOM 433 OE1 GLU A 33 -11.710 8.959 -5.690 1.00 0.00 O ATOM 434 OE2 GLU A 33 -11.500 11.055 -6.320 1.00 0.00 O ATOM 0 H GLU A 33 -8.030 10.745 -8.102 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.851 9.183 -5.959 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.397 8.856 -7.595 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.964 7.874 -6.209 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.311 9.612 -4.686 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -9.073 10.862 -5.891 1.00 0.00 H new ATOM 441 N ILE A 34 -6.398 6.938 -7.098 1.00 0.00 N ATOM 442 CA ILE A 34 -5.813 5.796 -7.789 1.00 0.00 C ATOM 443 C ILE A 34 -6.757 4.599 -7.770 1.00 0.00 C ATOM 444 O ILE A 34 -7.563 4.445 -6.852 1.00 0.00 O ATOM 445 CB ILE A 34 -4.469 5.385 -7.159 1.00 0.00 C ATOM 446 CG1 ILE A 34 -4.617 5.232 -5.643 1.00 0.00 C ATOM 447 CG2 ILE A 34 -3.393 6.408 -7.491 1.00 0.00 C ATOM 448 CD1 ILE A 34 -3.465 4.497 -4.995 1.00 0.00 C ATOM 0 H ILE A 34 -6.479 6.824 -6.088 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.643 6.105 -8.820 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.169 4.423 -7.575 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.706 6.221 -5.193 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.544 4.700 -5.428 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.449 6.103 -7.039 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.273 6.472 -8.572 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.685 7.383 -7.100 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.637 4.426 -3.921 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.389 3.495 -5.418 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.538 5.040 -5.179 1.00 0.00 H new ATOM 460 N SER A 35 -6.652 3.753 -8.790 1.00 0.00 N ATOM 461 CA SER A 35 -7.498 2.570 -8.892 1.00 0.00 C ATOM 462 C SER A 35 -6.676 1.297 -8.712 1.00 0.00 C ATOM 463 O SER A 35 -5.715 1.056 -9.443 1.00 0.00 O ATOM 464 CB SER A 35 -8.211 2.543 -10.245 1.00 0.00 C ATOM 465 OG SER A 35 -7.282 2.440 -11.310 1.00 0.00 O ATOM 0 H SER A 35 -5.989 3.865 -9.557 1.00 0.00 H new ATOM 0 HA SER A 35 -8.243 2.616 -8.097 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.902 1.701 -10.279 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.806 3.448 -10.364 1.00 0.00 H new ATOM 0 HG SER A 35 -6.481 1.967 -11.001 1.00 0.00 H new ATOM 471 N PHE A 36 -7.062 0.485 -7.734 1.00 0.00 N ATOM 472 CA PHE A 36 -6.362 -0.763 -7.455 1.00 0.00 C ATOM 473 C PHE A 36 -7.346 -1.924 -7.336 1.00 0.00 C ATOM 474 O PHE A 36 -8.512 -1.730 -6.992 1.00 0.00 O ATOM 475 CB PHE A 36 -5.545 -0.638 -6.168 1.00 0.00 C ATOM 476 CG PHE A 36 -6.206 0.208 -5.118 1.00 0.00 C ATOM 477 CD1 PHE A 36 -7.392 -0.198 -4.528 1.00 0.00 C ATOM 478 CD2 PHE A 36 -5.642 1.409 -4.720 1.00 0.00 C ATOM 479 CE1 PHE A 36 -8.003 0.579 -3.562 1.00 0.00 C ATOM 480 CE2 PHE A 36 -6.248 2.190 -3.754 1.00 0.00 C ATOM 481 CZ PHE A 36 -7.430 1.774 -3.174 1.00 0.00 C ATOM 0 H PHE A 36 -7.856 0.669 -7.121 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.687 -0.965 -8.287 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.367 -1.634 -5.762 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.570 -0.212 -6.406 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.844 -1.132 -4.826 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.717 1.739 -5.170 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -8.928 0.252 -3.111 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.798 3.124 -3.453 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.905 2.382 -2.418 1.00 0.00 H new ATOM 491 N ASP A 37 -6.867 -3.129 -7.623 1.00 0.00 N ATOM 492 CA ASP A 37 -7.702 -4.322 -7.547 1.00 0.00 C ATOM 493 C ASP A 37 -7.792 -4.833 -6.113 1.00 0.00 C ATOM 494 O ASP A 37 -6.973 -4.498 -5.256 1.00 0.00 O ATOM 495 CB ASP A 37 -7.147 -5.418 -8.458 1.00 0.00 C ATOM 496 CG ASP A 37 -7.721 -5.352 -9.860 1.00 0.00 C ATOM 497 OD1 ASP A 37 -8.962 -5.320 -9.992 1.00 0.00 O ATOM 498 OD2 ASP A 37 -6.929 -5.332 -10.826 1.00 0.00 O ATOM 0 H ASP A 37 -5.904 -3.306 -7.911 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.704 -4.055 -7.882 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.062 -5.329 -8.508 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.367 -6.393 -8.024 1.00 0.00 H new ATOM 503 N PRO A 38 -8.811 -5.662 -5.843 1.00 0.00 N ATOM 504 CA PRO A 38 -9.033 -6.236 -4.512 1.00 0.00 C ATOM 505 C PRO A 38 -7.969 -7.264 -4.140 1.00 0.00 C ATOM 506 O PRO A 38 -7.571 -8.086 -4.965 1.00 0.00 O ATOM 507 CB PRO A 38 -10.403 -6.907 -4.639 1.00 0.00 C ATOM 508 CG PRO A 38 -10.544 -7.208 -6.091 1.00 0.00 C ATOM 509 CD PRO A 38 -9.825 -6.104 -6.815 1.00 0.00 C ATOM 0 HA PRO A 38 -8.985 -5.480 -3.728 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -10.456 -7.816 -4.039 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.200 -6.249 -4.292 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -10.111 -8.179 -6.332 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.594 -7.246 -6.381 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.368 -6.460 -7.738 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.502 -5.294 -7.086 1.00 0.00 H new ATOM 517 N ASP A 39 -7.514 -7.211 -2.893 1.00 0.00 N ATOM 518 CA ASP A 39 -6.497 -8.139 -2.410 1.00 0.00 C ATOM 519 C ASP A 39 -5.135 -7.814 -3.015 1.00 0.00 C ATOM 520 O ASP A 39 -4.287 -8.694 -3.168 1.00 0.00 O ATOM 521 CB ASP A 39 -6.889 -9.578 -2.748 1.00 0.00 C ATOM 522 CG ASP A 39 -8.385 -9.806 -2.665 1.00 0.00 C ATOM 523 OD1 ASP A 39 -9.027 -9.213 -1.773 1.00 0.00 O ATOM 524 OD2 ASP A 39 -8.915 -10.578 -3.493 1.00 0.00 O ATOM 0 H ASP A 39 -7.833 -6.536 -2.198 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.428 -8.034 -1.327 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.543 -9.819 -3.753 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.382 -10.259 -2.065 1.00 0.00 H new ATOM 529 N ASP A 40 -4.932 -6.546 -3.356 1.00 0.00 N ATOM 530 CA ASP A 40 -3.673 -6.105 -3.944 1.00 0.00 C ATOM 531 C ASP A 40 -2.716 -5.604 -2.867 1.00 0.00 C ATOM 532 O ASP A 40 -3.100 -5.446 -1.707 1.00 0.00 O ATOM 533 CB ASP A 40 -3.924 -5.002 -4.973 1.00 0.00 C ATOM 534 CG ASP A 40 -4.212 -5.554 -6.355 1.00 0.00 C ATOM 535 OD1 ASP A 40 -5.228 -6.265 -6.511 1.00 0.00 O ATOM 536 OD2 ASP A 40 -3.422 -5.275 -7.282 1.00 0.00 O ATOM 0 H ASP A 40 -5.623 -5.806 -3.235 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.215 -6.959 -4.443 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.765 -4.390 -4.647 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.053 -4.348 -5.020 1.00 0.00 H new ATOM 541 N ILE A 41 -1.470 -5.357 -3.257 1.00 0.00 N ATOM 542 CA ILE A 41 -0.460 -4.875 -2.324 1.00 0.00 C ATOM 543 C ILE A 41 -0.015 -3.460 -2.679 1.00 0.00 C ATOM 544 O ILE A 41 0.299 -3.168 -3.833 1.00 0.00 O ATOM 545 CB ILE A 41 0.773 -5.797 -2.303 1.00 0.00 C ATOM 546 CG1 ILE A 41 0.343 -7.256 -2.139 1.00 0.00 C ATOM 547 CG2 ILE A 41 1.720 -5.390 -1.184 1.00 0.00 C ATOM 548 CD1 ILE A 41 -0.263 -7.559 -0.786 1.00 0.00 C ATOM 0 H ILE A 41 -1.136 -5.483 -4.213 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.919 -4.873 -1.335 1.00 0.00 H new ATOM 0 HB ILE A 41 1.299 -5.697 -3.252 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.381 -7.502 -2.916 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.208 -7.901 -2.293 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.587 -6.051 -1.182 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.048 -4.362 -1.341 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.205 -5.464 -0.226 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.544 -8.611 -0.741 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.466 -7.344 -0.005 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.148 -6.940 -0.637 1.00 0.00 H new ATOM 560 N ILE A 42 0.009 -2.585 -1.679 1.00 0.00 N ATOM 561 CA ILE A 42 0.418 -1.201 -1.885 1.00 0.00 C ATOM 562 C ILE A 42 1.618 -0.847 -1.014 1.00 0.00 C ATOM 563 O ILE A 42 1.700 -1.254 0.146 1.00 0.00 O ATOM 564 CB ILE A 42 -0.732 -0.223 -1.578 1.00 0.00 C ATOM 565 CG1 ILE A 42 -1.921 -0.492 -2.503 1.00 0.00 C ATOM 566 CG2 ILE A 42 -0.256 1.215 -1.722 1.00 0.00 C ATOM 567 CD1 ILE A 42 -2.906 -1.494 -1.943 1.00 0.00 C ATOM 0 H ILE A 42 -0.250 -2.810 -0.718 1.00 0.00 H new ATOM 0 HA ILE A 42 0.694 -1.106 -2.935 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.056 -0.377 -0.549 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.440 0.447 -2.697 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.551 -0.855 -3.462 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.079 1.895 -1.502 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.562 1.399 -1.026 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.091 1.383 -2.742 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.723 -1.636 -2.651 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.401 -2.446 -1.775 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.305 -1.123 -0.999 1.00 0.00 H new ATOM 579 N THR A 43 2.548 -0.083 -1.579 1.00 0.00 N ATOM 580 CA THR A 43 3.744 0.327 -0.854 1.00 0.00 C ATOM 581 C THR A 43 3.798 1.843 -0.697 1.00 0.00 C ATOM 582 O THR A 43 3.065 2.572 -1.363 1.00 0.00 O ATOM 583 CB THR A 43 5.024 -0.150 -1.567 1.00 0.00 C ATOM 584 OG1 THR A 43 5.069 0.377 -2.897 1.00 0.00 O ATOM 585 CG2 THR A 43 5.082 -1.669 -1.615 1.00 0.00 C ATOM 0 H THR A 43 2.496 0.264 -2.537 1.00 0.00 H new ATOM 0 HA THR A 43 3.692 -0.136 0.131 1.00 0.00 H new ATOM 0 HB THR A 43 5.884 0.213 -1.004 1.00 0.00 H new ATOM 0 HG1 THR A 43 5.886 0.071 -3.343 1.00 0.00 H new ATOM 0 HG21 THR A 43 5.994 -1.982 -2.123 1.00 0.00 H new ATOM 0 HG22 THR A 43 5.077 -2.066 -0.600 1.00 0.00 H new ATOM 0 HG23 THR A 43 4.216 -2.049 -2.157 1.00 0.00 H new ATOM 593 N ASN A 44 4.672 2.310 0.189 1.00 0.00 N ATOM 594 CA ASN A 44 4.823 3.740 0.434 1.00 0.00 C ATOM 595 C ASN A 44 3.483 4.373 0.797 1.00 0.00 C ATOM 596 O ASN A 44 3.094 5.394 0.230 1.00 0.00 O ATOM 597 CB ASN A 44 5.408 4.430 -0.800 1.00 0.00 C ATOM 598 CG ASN A 44 6.760 3.867 -1.191 1.00 0.00 C ATOM 599 OD1 ASN A 44 6.972 3.470 -2.337 1.00 0.00 O ATOM 600 ND2 ASN A 44 7.684 3.828 -0.237 1.00 0.00 N ATOM 0 H ASN A 44 5.286 1.719 0.749 1.00 0.00 H new ATOM 0 HA ASN A 44 5.506 3.870 1.273 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.717 4.321 -1.636 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.505 5.498 -0.604 1.00 0.00 H new ATOM 0 HD21 ASN A 44 8.612 3.458 -0.441 1.00 0.00 H new ATOM 0 HD22 ASN A 44 7.465 4.168 0.699 1.00 0.00 H new ATOM 607 N ILE A 45 2.783 3.760 1.745 1.00 0.00 N ATOM 608 CA ILE A 45 1.488 4.264 2.185 1.00 0.00 C ATOM 609 C ILE A 45 1.653 5.403 3.186 1.00 0.00 C ATOM 610 O ILE A 45 2.104 5.193 4.311 1.00 0.00 O ATOM 611 CB ILE A 45 0.639 3.151 2.827 1.00 0.00 C ATOM 612 CG1 ILE A 45 0.213 2.131 1.770 1.00 0.00 C ATOM 613 CG2 ILE A 45 -0.579 3.746 3.518 1.00 0.00 C ATOM 614 CD1 ILE A 45 -0.531 0.944 2.341 1.00 0.00 C ATOM 0 H ILE A 45 3.091 2.913 2.223 1.00 0.00 H new ATOM 0 HA ILE A 45 0.975 4.634 1.297 1.00 0.00 H new ATOM 0 HB ILE A 45 1.243 2.639 3.576 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.420 2.626 1.033 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.098 1.775 1.242 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.169 2.947 3.967 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.255 4.438 4.295 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.187 4.280 2.788 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.802 0.262 1.535 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.107 0.425 3.056 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.435 1.289 2.844 1.00 0.00 H new ATOM 626 N GLU A 46 1.283 6.610 2.767 1.00 0.00 N ATOM 627 CA GLU A 46 1.390 7.782 3.627 1.00 0.00 C ATOM 628 C GLU A 46 0.065 8.063 4.330 1.00 0.00 C ATOM 629 O GLU A 46 -0.975 8.198 3.686 1.00 0.00 O ATOM 630 CB GLU A 46 1.816 9.004 2.811 1.00 0.00 C ATOM 631 CG GLU A 46 3.311 9.067 2.544 1.00 0.00 C ATOM 632 CD GLU A 46 4.095 9.582 3.735 1.00 0.00 C ATOM 633 OE1 GLU A 46 3.843 9.108 4.863 1.00 0.00 O ATOM 634 OE2 GLU A 46 4.961 10.460 3.539 1.00 0.00 O ATOM 0 H GLU A 46 0.907 6.801 1.838 1.00 0.00 H new ATOM 0 HA GLU A 46 2.147 7.578 4.384 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.285 8.997 1.859 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.511 9.907 3.339 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.671 8.073 2.279 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.496 9.712 1.685 1.00 0.00 H new ATOM 641 N MET A 47 0.111 8.150 5.656 1.00 0.00 N ATOM 642 CA MET A 47 -1.085 8.415 6.446 1.00 0.00 C ATOM 643 C MET A 47 -1.372 9.912 6.511 1.00 0.00 C ATOM 644 O MET A 47 -0.727 10.645 7.261 1.00 0.00 O ATOM 645 CB MET A 47 -0.923 7.853 7.860 1.00 0.00 C ATOM 646 CG MET A 47 -0.664 6.356 7.893 1.00 0.00 C ATOM 647 SD MET A 47 -0.919 5.643 9.529 1.00 0.00 S ATOM 648 CE MET A 47 -1.148 3.916 9.114 1.00 0.00 C ATOM 0 H MET A 47 0.964 8.041 6.205 1.00 0.00 H new ATOM 0 HA MET A 47 -1.928 7.922 5.961 1.00 0.00 H new ATOM 0 HB2 MET A 47 -0.099 8.367 8.354 1.00 0.00 H new ATOM 0 HB3 MET A 47 -1.824 8.070 8.434 1.00 0.00 H new ATOM 0 HG2 MET A 47 -1.322 5.861 7.179 1.00 0.00 H new ATOM 0 HG3 MET A 47 0.359 6.161 7.571 1.00 0.00 H new ATOM 0 HE1 MET A 47 -1.591 3.394 9.962 1.00 0.00 H new ATOM 0 HE2 MET A 47 -1.809 3.834 8.251 1.00 0.00 H new ATOM 0 HE3 MET A 47 -0.183 3.468 8.876 1.00 0.00 H new ATOM 658 N ILE A 48 -2.344 10.358 5.722 1.00 0.00 N ATOM 659 CA ILE A 48 -2.716 11.767 5.691 1.00 0.00 C ATOM 660 C ILE A 48 -4.081 11.989 6.335 1.00 0.00 C ATOM 661 O ILE A 48 -4.200 12.707 7.328 1.00 0.00 O ATOM 662 CB ILE A 48 -2.747 12.310 4.251 1.00 0.00 C ATOM 663 CG1 ILE A 48 -1.418 12.026 3.547 1.00 0.00 C ATOM 664 CG2 ILE A 48 -3.043 13.802 4.253 1.00 0.00 C ATOM 665 CD1 ILE A 48 -1.437 12.342 2.068 1.00 0.00 C ATOM 0 H ILE A 48 -2.888 9.764 5.096 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.957 12.306 6.257 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.542 11.803 3.705 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.631 12.610 4.025 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.162 10.975 3.682 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.061 14.171 3.227 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.012 13.980 4.720 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.268 14.326 4.813 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.462 12.116 1.635 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.201 11.739 1.577 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.662 13.399 1.925 1.00 0.00 H new ATOM 677 N ASP A 49 -5.106 11.366 5.765 1.00 0.00 N ATOM 678 CA ASP A 49 -6.463 11.493 6.285 1.00 0.00 C ATOM 679 C ASP A 49 -6.937 10.177 6.892 1.00 0.00 C ATOM 680 O ASP A 49 -6.868 9.126 6.254 1.00 0.00 O ATOM 681 CB ASP A 49 -7.419 11.930 5.174 1.00 0.00 C ATOM 682 CG ASP A 49 -7.319 13.413 4.874 1.00 0.00 C ATOM 683 OD1 ASP A 49 -6.240 13.994 5.111 1.00 0.00 O ATOM 684 OD2 ASP A 49 -8.321 13.992 4.404 1.00 0.00 O ATOM 0 H ASP A 49 -5.024 10.768 4.943 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.457 12.252 7.067 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.202 11.364 4.268 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -8.442 11.689 5.463 1.00 0.00 H new ATOM 689 N ASP A 50 -7.418 10.241 8.129 1.00 0.00 N ATOM 690 CA ASP A 50 -7.904 9.054 8.823 1.00 0.00 C ATOM 691 C ASP A 50 -8.839 8.246 7.929 1.00 0.00 C ATOM 692 O ASP A 50 -9.069 7.061 8.165 1.00 0.00 O ATOM 693 CB ASP A 50 -8.626 9.451 10.112 1.00 0.00 C ATOM 694 CG ASP A 50 -8.526 8.385 11.184 1.00 0.00 C ATOM 695 OD1 ASP A 50 -8.399 7.194 10.828 1.00 0.00 O ATOM 696 OD2 ASP A 50 -8.572 8.740 12.380 1.00 0.00 O ATOM 0 H ASP A 50 -7.482 11.102 8.672 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.045 8.432 9.074 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -8.203 10.382 10.489 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.676 9.643 9.892 1.00 0.00 H new ATOM 701 N GLY A 51 -9.376 8.897 6.902 1.00 0.00 N ATOM 702 CA GLY A 51 -10.281 8.224 5.989 1.00 0.00 C ATOM 703 C GLY A 51 -9.675 8.024 4.614 1.00 0.00 C ATOM 704 O GLY A 51 -10.083 7.129 3.873 1.00 0.00 O ATOM 0 H GLY A 51 -9.201 9.878 6.686 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.558 7.255 6.405 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.198 8.805 5.897 1.00 0.00 H new ATOM 708 N TRP A 52 -8.700 8.858 4.272 1.00 0.00 N ATOM 709 CA TRP A 52 -8.037 8.769 2.976 1.00 0.00 C ATOM 710 C TRP A 52 -6.521 8.760 3.138 1.00 0.00 C ATOM 711 O TRP A 52 -5.981 9.399 4.041 1.00 0.00 O ATOM 712 CB TRP A 52 -8.460 9.937 2.083 1.00 0.00 C ATOM 713 CG TRP A 52 -9.917 9.919 1.732 1.00 0.00 C ATOM 714 CD1 TRP A 52 -10.957 10.298 2.532 1.00 0.00 C ATOM 715 CD2 TRP A 52 -10.494 9.500 0.490 1.00 0.00 C ATOM 716 NE1 TRP A 52 -12.147 10.139 1.862 1.00 0.00 N ATOM 717 CE2 TRP A 52 -11.890 9.652 0.608 1.00 0.00 C ATOM 718 CE3 TRP A 52 -9.968 9.014 -0.709 1.00 0.00 C ATOM 719 CZ2 TRP A 52 -12.763 9.333 -0.429 1.00 0.00 C ATOM 720 CZ3 TRP A 52 -10.836 8.698 -1.737 1.00 0.00 C ATOM 721 CH2 TRP A 52 -12.221 8.859 -1.592 1.00 0.00 C ATOM 0 H TRP A 52 -8.351 9.604 4.874 1.00 0.00 H new ATOM 0 HA TRP A 52 -8.338 7.833 2.506 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -8.227 10.874 2.588 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -7.872 9.915 1.165 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -10.859 10.668 3.542 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -13.071 10.350 2.238 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -8.902 8.887 -0.831 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -13.830 9.456 -0.319 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -10.440 8.320 -2.668 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -12.873 8.604 -2.415 1.00 0.00 H new ATOM 732 N TRP A 53 -5.841 8.033 2.260 1.00 0.00 N ATOM 733 CA TRP A 53 -4.386 7.942 2.307 1.00 0.00 C ATOM 734 C TRP A 53 -3.785 8.109 0.916 1.00 0.00 C ATOM 735 O TRP A 53 -4.508 8.265 -0.068 1.00 0.00 O ATOM 736 CB TRP A 53 -3.958 6.600 2.904 1.00 0.00 C ATOM 737 CG TRP A 53 -4.330 6.445 4.347 1.00 0.00 C ATOM 738 CD1 TRP A 53 -4.437 7.440 5.277 1.00 0.00 C ATOM 739 CD2 TRP A 53 -4.643 5.224 5.026 1.00 0.00 C ATOM 740 NE1 TRP A 53 -4.797 6.910 6.493 1.00 0.00 N ATOM 741 CE2 TRP A 53 -4.930 5.553 6.365 1.00 0.00 C ATOM 742 CE3 TRP A 53 -4.710 3.885 4.632 1.00 0.00 C ATOM 743 CZ2 TRP A 53 -5.277 4.591 7.310 1.00 0.00 C ATOM 744 CZ3 TRP A 53 -5.054 2.931 5.571 1.00 0.00 C ATOM 745 CH2 TRP A 53 -5.335 3.288 6.897 1.00 0.00 C ATOM 0 H TRP A 53 -6.273 7.498 1.507 1.00 0.00 H new ATOM 0 HA TRP A 53 -4.016 8.748 2.941 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -4.414 5.793 2.330 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -2.878 6.493 2.801 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -4.264 8.489 5.085 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -4.942 7.441 7.352 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -4.497 3.601 3.612 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -5.493 4.864 8.333 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -5.107 1.893 5.278 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -5.603 2.519 7.607 1.00 0.00 H new ATOM 756 N ARG A 54 -2.458 8.075 0.842 1.00 0.00 N ATOM 757 CA ARG A 54 -1.760 8.224 -0.429 1.00 0.00 C ATOM 758 C ARG A 54 -0.573 7.269 -0.513 1.00 0.00 C ATOM 759 O ARG A 54 0.367 7.360 0.276 1.00 0.00 O ATOM 760 CB ARG A 54 -1.282 9.666 -0.607 1.00 0.00 C ATOM 761 CG ARG A 54 -2.354 10.601 -1.143 1.00 0.00 C ATOM 762 CD ARG A 54 -1.750 11.725 -1.970 1.00 0.00 C ATOM 763 NE ARG A 54 -1.300 12.837 -1.137 1.00 0.00 N ATOM 764 CZ ARG A 54 -1.107 14.068 -1.597 1.00 0.00 C ATOM 765 NH1 ARG A 54 -1.323 14.344 -2.876 1.00 0.00 N ATOM 766 NH2 ARG A 54 -0.696 15.027 -0.777 1.00 0.00 N ATOM 0 H ARG A 54 -1.845 7.946 1.647 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.459 7.979 -1.229 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.929 10.044 0.352 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.430 9.676 -1.287 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.058 10.036 -1.754 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.919 11.023 -0.312 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.908 11.340 -2.546 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.488 12.085 -2.687 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.124 12.659 -0.148 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.638 13.610 -3.510 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.174 15.290 -3.226 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.528 14.819 0.207 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.548 15.972 -1.131 1.00 0.00 H new ATOM 780 N GLY A 55 -0.623 6.353 -1.475 1.00 0.00 N ATOM 781 CA GLY A 55 0.454 5.395 -1.643 1.00 0.00 C ATOM 782 C GLY A 55 0.758 5.114 -3.102 1.00 0.00 C ATOM 783 O GLY A 55 -0.022 5.471 -3.986 1.00 0.00 O ATOM 0 H GLY A 55 -1.390 6.257 -2.141 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.352 5.773 -1.154 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.188 4.463 -1.144 1.00 0.00 H new ATOM 787 N VAL A 56 1.895 4.473 -3.355 1.00 0.00 N ATOM 788 CA VAL A 56 2.300 4.145 -4.717 1.00 0.00 C ATOM 789 C VAL A 56 1.845 2.742 -5.103 1.00 0.00 C ATOM 790 O VAL A 56 2.424 1.748 -4.662 1.00 0.00 O ATOM 791 CB VAL A 56 3.828 4.243 -4.887 1.00 0.00 C ATOM 792 CG1 VAL A 56 4.225 3.944 -6.324 1.00 0.00 C ATOM 793 CG2 VAL A 56 4.323 5.617 -4.463 1.00 0.00 C ATOM 0 H VAL A 56 2.551 4.171 -2.635 1.00 0.00 H new ATOM 0 HA VAL A 56 1.822 4.872 -5.373 1.00 0.00 H new ATOM 0 HB VAL A 56 4.297 3.499 -4.244 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.308 4.018 -6.425 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.904 2.936 -6.588 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.748 4.663 -6.990 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.404 5.669 -4.589 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.848 6.381 -5.079 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.071 5.787 -3.416 1.00 0.00 H new ATOM 803 N CYS A 57 0.807 2.669 -5.928 1.00 0.00 N ATOM 804 CA CYS A 57 0.274 1.386 -6.374 1.00 0.00 C ATOM 805 C CYS A 57 0.443 1.221 -7.881 1.00 0.00 C ATOM 806 O CYS A 57 0.234 2.162 -8.647 1.00 0.00 O ATOM 807 CB CYS A 57 -1.204 1.267 -5.998 1.00 0.00 C ATOM 808 SG CYS A 57 -2.330 2.054 -7.173 1.00 0.00 S ATOM 0 H CYS A 57 0.318 3.482 -6.302 1.00 0.00 H new ATOM 0 HA CYS A 57 0.834 0.594 -5.876 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.463 0.211 -5.914 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -1.354 1.711 -5.014 1.00 0.00 H new ATOM 0 HG CYS A 57 -1.668 2.418 -8.231 1.00 0.00 H new ATOM 814 N LYS A 58 0.825 0.019 -8.299 1.00 0.00 N ATOM 815 CA LYS A 58 1.024 -0.271 -9.715 1.00 0.00 C ATOM 816 C LYS A 58 1.623 0.932 -10.438 1.00 0.00 C ATOM 817 O LYS A 58 1.318 1.183 -11.602 1.00 0.00 O ATOM 818 CB LYS A 58 -0.304 -0.662 -10.367 1.00 0.00 C ATOM 819 CG LYS A 58 -0.818 -2.023 -9.930 1.00 0.00 C ATOM 820 CD LYS A 58 -0.308 -3.130 -10.837 1.00 0.00 C ATOM 821 CE LYS A 58 -1.031 -3.131 -12.176 1.00 0.00 C ATOM 822 NZ LYS A 58 -2.383 -3.746 -12.076 1.00 0.00 N ATOM 0 H LYS A 58 1.003 -0.770 -7.678 1.00 0.00 H new ATOM 0 HA LYS A 58 1.721 -1.105 -9.796 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.053 0.094 -10.129 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.182 -0.659 -11.450 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.505 -2.219 -8.904 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.908 -2.020 -9.936 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.762 -3.004 -11.000 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.444 -4.094 -10.348 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.124 -2.108 -12.539 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.437 -3.677 -12.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.843 -3.727 -13.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.293 -4.731 -11.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.959 -3.210 -11.396 1.00 0.00 H new ATOM 836 N GLY A 59 2.479 1.671 -9.738 1.00 0.00 N ATOM 837 CA GLY A 59 3.108 2.837 -10.331 1.00 0.00 C ATOM 838 C GLY A 59 2.173 4.028 -10.401 1.00 0.00 C ATOM 839 O GLY A 59 2.132 4.736 -11.407 1.00 0.00 O ATOM 0 H GLY A 59 2.748 1.483 -8.772 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.990 3.105 -9.750 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.452 2.589 -11.335 1.00 0.00 H new ATOM 843 N ARG A 60 1.417 4.249 -9.330 1.00 0.00 N ATOM 844 CA ARG A 60 0.475 5.360 -9.275 1.00 0.00 C ATOM 845 C ARG A 60 0.300 5.854 -7.842 1.00 0.00 C ATOM 846 O ARG A 60 -0.063 5.086 -6.950 1.00 0.00 O ATOM 847 CB ARG A 60 -0.878 4.938 -9.850 1.00 0.00 C ATOM 848 CG ARG A 60 -1.007 5.181 -11.345 1.00 0.00 C ATOM 849 CD ARG A 60 -2.447 5.467 -11.741 1.00 0.00 C ATOM 850 NE ARG A 60 -2.740 5.020 -13.100 1.00 0.00 N ATOM 851 CZ ARG A 60 -2.492 5.749 -14.183 1.00 0.00 C ATOM 852 NH1 ARG A 60 -1.949 6.952 -14.066 1.00 0.00 N ATOM 853 NH2 ARG A 60 -2.787 5.273 -15.386 1.00 0.00 N ATOM 0 H ARG A 60 1.439 3.673 -8.489 1.00 0.00 H new ATOM 0 HA ARG A 60 0.878 6.176 -9.875 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.035 3.878 -9.648 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.669 5.481 -9.333 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.375 6.021 -11.634 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.645 4.308 -11.889 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -3.120 4.970 -11.043 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.639 6.537 -11.662 1.00 0.00 H new ATOM 0 HE ARG A 60 -3.158 4.098 -13.225 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -1.720 7.321 -13.143 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.760 7.509 -14.899 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.204 4.347 -15.480 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.596 5.833 -16.217 1.00 0.00 H new ATOM 867 N TYR A 61 0.559 7.139 -7.629 1.00 0.00 N ATOM 868 CA TYR A 61 0.433 7.735 -6.304 1.00 0.00 C ATOM 869 C TYR A 61 -0.708 8.746 -6.269 1.00 0.00 C ATOM 870 O TYR A 61 -0.647 9.792 -6.914 1.00 0.00 O ATOM 871 CB TYR A 61 1.743 8.413 -5.900 1.00 0.00 C ATOM 872 CG TYR A 61 1.631 9.246 -4.643 1.00 0.00 C ATOM 873 CD1 TYR A 61 1.791 8.670 -3.388 1.00 0.00 C ATOM 874 CD2 TYR A 61 1.367 10.608 -4.710 1.00 0.00 C ATOM 875 CE1 TYR A 61 1.689 9.427 -2.237 1.00 0.00 C ATOM 876 CE2 TYR A 61 1.264 11.373 -3.564 1.00 0.00 C ATOM 877 CZ TYR A 61 1.426 10.778 -2.330 1.00 0.00 C ATOM 878 OH TYR A 61 1.324 11.536 -1.186 1.00 0.00 O ATOM 0 H TYR A 61 0.858 7.788 -8.357 1.00 0.00 H new ATOM 0 HA TYR A 61 0.211 6.938 -5.594 1.00 0.00 H new ATOM 0 HB2 TYR A 61 2.507 7.650 -5.753 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.081 9.049 -6.718 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.999 7.613 -3.312 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.240 11.077 -5.674 1.00 0.00 H new ATOM 0 HE1 TYR A 61 1.814 8.964 -1.270 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.058 12.431 -3.634 1.00 0.00 H new ATOM 0 HH TYR A 61 1.377 12.487 -1.418 1.00 0.00 H new ATOM 888 N GLY A 62 -1.750 8.427 -5.507 1.00 0.00 N ATOM 889 CA GLY A 62 -2.892 9.316 -5.399 1.00 0.00 C ATOM 890 C GLY A 62 -3.694 9.081 -4.135 1.00 0.00 C ATOM 891 O GLY A 62 -3.311 8.269 -3.291 1.00 0.00 O ATOM 0 H GLY A 62 -1.823 7.568 -4.962 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.547 10.350 -5.419 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.538 9.179 -6.266 1.00 0.00 H new ATOM 895 N LEU A 63 -4.807 9.792 -4.001 1.00 0.00 N ATOM 896 CA LEU A 63 -5.665 9.657 -2.829 1.00 0.00 C ATOM 897 C LEU A 63 -6.550 8.420 -2.941 1.00 0.00 C ATOM 898 O LEU A 63 -7.029 8.082 -4.023 1.00 0.00 O ATOM 899 CB LEU A 63 -6.534 10.905 -2.663 1.00 0.00 C ATOM 900 CG LEU A 63 -5.887 12.081 -1.931 1.00 0.00 C ATOM 901 CD1 LEU A 63 -6.455 13.400 -2.432 1.00 0.00 C ATOM 902 CD2 LEU A 63 -6.086 11.950 -0.428 1.00 0.00 C ATOM 0 H LEU A 63 -5.137 10.468 -4.689 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.026 9.546 -1.953 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.841 11.244 -3.652 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.440 10.623 -2.127 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.817 12.067 -2.138 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.982 14.225 -1.899 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.260 13.498 -3.500 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.530 13.423 -2.256 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.619 12.796 0.076 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.152 11.937 -0.202 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.630 11.023 -0.080 1.00 0.00 H new ATOM 914 N PHE A 64 -6.763 7.748 -1.814 1.00 0.00 N ATOM 915 CA PHE A 64 -7.591 6.548 -1.785 1.00 0.00 C ATOM 916 C PHE A 64 -8.168 6.319 -0.391 1.00 0.00 C ATOM 917 O PHE A 64 -7.525 6.582 0.626 1.00 0.00 O ATOM 918 CB PHE A 64 -6.774 5.328 -2.217 1.00 0.00 C ATOM 919 CG PHE A 64 -5.719 4.930 -1.225 1.00 0.00 C ATOM 920 CD1 PHE A 64 -6.052 4.199 -0.096 1.00 0.00 C ATOM 921 CD2 PHE A 64 -4.395 5.287 -1.421 1.00 0.00 C ATOM 922 CE1 PHE A 64 -5.084 3.833 0.820 1.00 0.00 C ATOM 923 CE2 PHE A 64 -3.422 4.923 -0.509 1.00 0.00 C ATOM 924 CZ PHE A 64 -3.767 4.194 0.612 1.00 0.00 C ATOM 0 H PHE A 64 -6.374 8.014 -0.909 1.00 0.00 H new ATOM 0 HA PHE A 64 -8.416 6.690 -2.483 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -7.449 4.487 -2.375 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -6.299 5.540 -3.175 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -7.080 3.912 0.070 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -4.120 5.856 -2.296 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -5.357 3.265 1.697 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -2.393 5.208 -0.673 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.008 3.907 1.325 1.00 0.00 H new ATOM 934 N PRO A 65 -9.411 5.818 -0.341 1.00 0.00 N ATOM 935 CA PRO A 65 -10.103 5.543 0.922 1.00 0.00 C ATOM 936 C PRO A 65 -9.493 4.364 1.673 1.00 0.00 C ATOM 937 O PRO A 65 -9.284 3.294 1.102 1.00 0.00 O ATOM 938 CB PRO A 65 -11.531 5.213 0.479 1.00 0.00 C ATOM 939 CG PRO A 65 -11.390 4.720 -0.919 1.00 0.00 C ATOM 940 CD PRO A 65 -10.237 5.481 -1.513 1.00 0.00 C ATOM 0 HA PRO A 65 -10.039 6.384 1.613 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.980 4.456 1.122 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -12.173 6.093 0.526 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -11.200 3.647 -0.937 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.304 4.891 -1.487 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -9.685 4.877 -2.233 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -10.573 6.375 -2.038 1.00 0.00 H new ATOM 948 N ALA A 66 -9.209 4.568 2.955 1.00 0.00 N ATOM 949 CA ALA A 66 -8.625 3.521 3.784 1.00 0.00 C ATOM 950 C ALA A 66 -9.666 2.471 4.157 1.00 0.00 C ATOM 951 O ALA A 66 -9.357 1.490 4.830 1.00 0.00 O ATOM 952 CB ALA A 66 -8.007 4.124 5.037 1.00 0.00 C ATOM 0 H ALA A 66 -9.374 5.449 3.442 1.00 0.00 H new ATOM 0 HA ALA A 66 -7.842 3.029 3.207 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.574 3.331 5.647 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.227 4.831 4.754 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.776 4.643 5.609 1.00 0.00 H new ATOM 958 N ASN A 67 -10.901 2.686 3.715 1.00 0.00 N ATOM 959 CA ASN A 67 -11.988 1.758 4.004 1.00 0.00 C ATOM 960 C ASN A 67 -11.950 0.564 3.056 1.00 0.00 C ATOM 961 O ASN A 67 -12.306 -0.553 3.433 1.00 0.00 O ATOM 962 CB ASN A 67 -13.337 2.470 3.891 1.00 0.00 C ATOM 963 CG ASN A 67 -13.327 3.836 4.551 1.00 0.00 C ATOM 964 OD1 ASN A 67 -13.549 3.958 5.755 1.00 0.00 O ATOM 965 ND2 ASN A 67 -13.069 4.872 3.761 1.00 0.00 N ATOM 0 H ASN A 67 -11.174 3.494 3.156 1.00 0.00 H new ATOM 0 HA ASN A 67 -11.861 1.394 5.024 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -13.600 2.580 2.839 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -14.110 1.853 4.350 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -13.049 5.816 4.148 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -12.891 4.724 2.768 1.00 0.00 H new ATOM 972 N TYR A 68 -11.516 0.807 1.824 1.00 0.00 N ATOM 973 CA TYR A 68 -11.434 -0.248 0.821 1.00 0.00 C ATOM 974 C TYR A 68 -10.100 -0.983 0.912 1.00 0.00 C ATOM 975 O TYR A 68 -9.744 -1.761 0.026 1.00 0.00 O ATOM 976 CB TYR A 68 -11.611 0.337 -0.581 1.00 0.00 C ATOM 977 CG TYR A 68 -13.053 0.606 -0.947 1.00 0.00 C ATOM 978 CD1 TYR A 68 -13.744 1.675 -0.390 1.00 0.00 C ATOM 979 CD2 TYR A 68 -13.726 -0.210 -1.849 1.00 0.00 C ATOM 980 CE1 TYR A 68 -15.062 1.924 -0.720 1.00 0.00 C ATOM 981 CE2 TYR A 68 -15.043 0.033 -2.186 1.00 0.00 C ATOM 982 CZ TYR A 68 -15.707 1.101 -1.619 1.00 0.00 C ATOM 983 OH TYR A 68 -17.020 1.345 -1.952 1.00 0.00 O ATOM 0 H TYR A 68 -11.216 1.725 1.496 1.00 0.00 H new ATOM 0 HA TYR A 68 -12.236 -0.961 1.014 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -11.047 1.267 -0.651 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -11.182 -0.351 -1.310 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -13.242 2.323 0.313 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -13.210 -1.048 -2.294 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -15.584 2.759 -0.276 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -15.551 -0.610 -2.890 1.00 0.00 H new ATOM 0 HH TYR A 68 -17.324 0.674 -2.598 1.00 0.00 H new ATOM 993 N VAL A 69 -9.365 -0.731 1.991 1.00 0.00 N ATOM 994 CA VAL A 69 -8.071 -1.369 2.201 1.00 0.00 C ATOM 995 C VAL A 69 -7.826 -1.641 3.681 1.00 0.00 C ATOM 996 O VAL A 69 -8.402 -0.983 4.546 1.00 0.00 O ATOM 997 CB VAL A 69 -6.922 -0.501 1.653 1.00 0.00 C ATOM 998 CG1 VAL A 69 -7.204 -0.086 0.217 1.00 0.00 C ATOM 999 CG2 VAL A 69 -6.708 0.718 2.537 1.00 0.00 C ATOM 0 H VAL A 69 -9.644 -0.089 2.733 1.00 0.00 H new ATOM 0 HA VAL A 69 -8.093 -2.315 1.659 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.007 -1.093 1.661 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.382 0.526 -0.153 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.303 -0.975 -0.406 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -8.130 0.488 0.179 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.893 1.320 2.135 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.621 1.314 2.563 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.457 0.395 3.547 1.00 0.00 H new ATOM 1009 N GLU A 70 -6.967 -2.616 3.963 1.00 0.00 N ATOM 1010 CA GLU A 70 -6.647 -2.975 5.339 1.00 0.00 C ATOM 1011 C GLU A 70 -5.146 -2.872 5.593 1.00 0.00 C ATOM 1012 O GLU A 70 -4.335 -3.302 4.772 1.00 0.00 O ATOM 1013 CB GLU A 70 -7.131 -4.394 5.645 1.00 0.00 C ATOM 1014 CG GLU A 70 -6.966 -4.793 7.102 1.00 0.00 C ATOM 1015 CD GLU A 70 -7.965 -4.104 8.012 1.00 0.00 C ATOM 1016 OE1 GLU A 70 -9.160 -4.053 7.649 1.00 0.00 O ATOM 1017 OE2 GLU A 70 -7.554 -3.616 9.085 1.00 0.00 O ATOM 0 H GLU A 70 -6.481 -3.170 3.258 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.159 -2.274 5.999 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.183 -4.477 5.371 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.582 -5.099 5.020 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.081 -5.873 7.194 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.955 -4.551 7.429 1.00 0.00 H new ATOM 1024 N LEU A 71 -4.783 -2.299 6.735 1.00 0.00 N ATOM 1025 CA LEU A 71 -3.379 -2.139 7.099 1.00 0.00 C ATOM 1026 C LEU A 71 -2.745 -3.486 7.430 1.00 0.00 C ATOM 1027 O LEU A 71 -3.159 -4.164 8.370 1.00 0.00 O ATOM 1028 CB LEU A 71 -3.246 -1.192 8.293 1.00 0.00 C ATOM 1029 CG LEU A 71 -3.362 0.301 7.982 1.00 0.00 C ATOM 1030 CD1 LEU A 71 -3.494 1.104 9.267 1.00 0.00 C ATOM 1031 CD2 LEU A 71 -2.160 0.773 7.177 1.00 0.00 C ATOM 0 H LEU A 71 -5.441 -1.937 7.425 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.854 -1.712 6.244 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.012 -1.451 9.024 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.281 -1.370 8.767 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.259 0.460 7.384 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.575 2.164 9.027 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.386 0.784 9.806 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.615 0.940 9.891 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.259 1.838 6.965 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.248 0.601 7.749 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.110 0.219 6.239 1.00 0.00 H new ATOM 1043 N ARG A 72 -1.736 -3.866 6.652 1.00 0.00 N ATOM 1044 CA ARG A 72 -1.043 -5.131 6.863 1.00 0.00 C ATOM 1045 C ARG A 72 -0.601 -5.273 8.317 1.00 0.00 C ATOM 1046 O ARG A 72 -0.112 -4.319 8.922 1.00 0.00 O ATOM 1047 CB ARG A 72 0.170 -5.233 5.937 1.00 0.00 C ATOM 1048 CG ARG A 72 -0.181 -5.644 4.517 1.00 0.00 C ATOM 1049 CD ARG A 72 -0.581 -7.109 4.443 1.00 0.00 C ATOM 1050 NE ARG A 72 -1.982 -7.312 4.803 1.00 0.00 N ATOM 1051 CZ ARG A 72 -2.507 -8.503 5.069 1.00 0.00 C ATOM 1052 NH1 ARG A 72 -1.751 -9.591 5.017 1.00 0.00 N ATOM 1053 NH2 ARG A 72 -3.791 -8.607 5.389 1.00 0.00 N ATOM 0 H ARG A 72 -1.381 -3.316 5.870 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.736 -5.940 6.632 1.00 0.00 H new ATOM 0 HB2 ARG A 72 0.679 -4.270 5.912 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.873 -5.955 6.352 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.998 -5.024 4.149 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.673 -5.466 3.864 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.408 -7.481 3.433 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.053 -7.692 5.111 1.00 0.00 H new ATOM 0 HE ARG A 72 -2.590 -6.495 4.853 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -0.764 -9.515 4.772 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -2.157 -10.504 5.222 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.375 -7.772 5.431 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -4.193 -9.522 5.593 1.00 0.00 H new