USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 397 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 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0.403 USER MOD Single : A 35 ASN : amide:sc= -3.36! K(o=-3.4!,f=-0.76) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -112:sc= 0.554 (180deg=-0.276) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.014 X(o=-0.014,f=-0.0032) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.386 X(o=-0.39,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.0151 USER MOD Single : A 69 ASN : amide:sc= -0.34 X(o=-0.34,f=-0.76) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 210 N PRO A 17 10.433 -6.023 -2.335 1.00 0.00 N ATOM 211 CA PRO A 17 9.214 -5.342 -1.889 1.00 0.00 C ATOM 212 C PRO A 17 7.952 -5.978 -2.461 1.00 0.00 C ATOM 213 O PRO A 17 8.025 -6.907 -3.266 1.00 0.00 O ATOM 214 CB PRO A 17 9.386 -3.919 -2.426 1.00 0.00 C ATOM 215 CG PRO A 17 10.294 -4.064 -3.599 1.00 0.00 C ATOM 216 CD PRO A 17 11.222 -5.199 -3.266 1.00 0.00 C ATOM 0 HA PRO A 17 9.092 -5.392 -0.807 1.00 0.00 H new ATOM 0 HB2 PRO A 17 8.428 -3.487 -2.718 1.00 0.00 H new ATOM 0 HB3 PRO A 17 9.816 -3.260 -1.671 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.729 -4.276 -4.506 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.851 -3.144 -3.778 1.00 0.00 H new ATOM 0 HD2 PRO A 17 11.507 -5.760 -4.156 1.00 0.00 H new ATOM 0 HD3 PRO A 17 12.143 -4.843 -2.805 1.00 0.00 H new ATOM 224 N ILE A 18 6.798 -5.472 -2.041 1.00 0.00 N ATOM 225 CA ILE A 18 5.520 -5.991 -2.514 1.00 0.00 C ATOM 226 C ILE A 18 4.676 -4.886 -3.140 1.00 0.00 C ATOM 227 O ILE A 18 4.868 -3.706 -2.850 1.00 0.00 O ATOM 228 CB ILE A 18 4.721 -6.646 -1.372 1.00 0.00 C ATOM 229 CG1 ILE A 18 5.671 -7.305 -0.369 1.00 0.00 C ATOM 230 CG2 ILE A 18 3.740 -7.667 -1.929 1.00 0.00 C ATOM 231 CD1 ILE A 18 4.976 -7.821 0.872 1.00 0.00 C ATOM 0 H ILE A 18 6.721 -4.704 -1.375 1.00 0.00 H new ATOM 0 HA ILE A 18 5.745 -6.745 -3.268 1.00 0.00 H new ATOM 0 HB ILE A 18 4.155 -5.872 -0.854 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.186 -8.132 -0.858 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.434 -6.584 -0.075 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.183 -8.121 -1.109 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.046 -7.172 -2.609 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.287 -8.440 -2.468 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.710 -8.275 1.538 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.484 -6.994 1.384 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.233 -8.566 0.589 1.00 0.00 H new ATOM 243 N GLU A 19 3.741 -5.279 -4.000 1.00 0.00 N ATOM 244 CA GLU A 19 2.867 -4.321 -4.667 1.00 0.00 C ATOM 245 C GLU A 19 1.416 -4.515 -4.234 1.00 0.00 C ATOM 246 O GLU A 19 0.851 -5.598 -4.386 1.00 0.00 O ATOM 247 CB GLU A 19 2.981 -4.465 -6.186 1.00 0.00 C ATOM 248 CG GLU A 19 4.089 -3.623 -6.795 1.00 0.00 C ATOM 249 CD GLU A 19 4.131 -3.720 -8.308 1.00 0.00 C ATOM 250 OE1 GLU A 19 4.626 -4.746 -8.822 1.00 0.00 O ATOM 251 OE2 GLU A 19 3.671 -2.772 -8.977 1.00 0.00 O ATOM 0 H GLU A 19 3.570 -6.253 -4.251 1.00 0.00 H new ATOM 0 HA GLU A 19 3.183 -3.318 -4.380 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.156 -5.513 -6.431 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.031 -4.185 -6.641 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.950 -2.581 -6.505 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.048 -3.942 -6.387 1.00 0.00 H new ATOM 258 N VAL A 20 0.820 -3.457 -3.693 1.00 0.00 N ATOM 259 CA VAL A 20 -0.565 -3.510 -3.238 1.00 0.00 C ATOM 260 C VAL A 20 -1.400 -2.414 -3.891 1.00 0.00 C ATOM 261 O VAL A 20 -0.916 -1.307 -4.130 1.00 0.00 O ATOM 262 CB VAL A 20 -0.658 -3.368 -1.707 1.00 0.00 C ATOM 263 CG1 VAL A 20 -0.013 -4.561 -1.019 1.00 0.00 C ATOM 264 CG2 VAL A 20 -0.013 -2.067 -1.253 1.00 0.00 C ATOM 0 H VAL A 20 1.274 -2.553 -3.559 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.958 -4.484 -3.530 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.711 -3.343 -1.425 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.089 -4.442 0.062 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.524 -5.475 -1.320 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.037 -4.622 -1.305 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.088 -1.983 -0.169 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.037 -2.060 -1.546 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.525 -1.225 -1.718 1.00 0.00 H new ATOM 274 N THR A 21 -2.659 -2.730 -4.179 1.00 0.00 N ATOM 275 CA THR A 21 -3.562 -1.773 -4.805 1.00 0.00 C ATOM 276 C THR A 21 -4.483 -1.130 -3.775 1.00 0.00 C ATOM 277 O THR A 21 -5.244 -1.817 -3.095 1.00 0.00 O ATOM 278 CB THR A 21 -4.419 -2.441 -5.897 1.00 0.00 C ATOM 279 OG1 THR A 21 -3.574 -3.079 -6.861 1.00 0.00 O ATOM 280 CG2 THR A 21 -5.306 -1.418 -6.591 1.00 0.00 C ATOM 0 H THR A 21 -3.076 -3.641 -3.989 1.00 0.00 H new ATOM 0 HA THR A 21 -2.939 -1.004 -5.262 1.00 0.00 H new ATOM 0 HB THR A 21 -5.056 -3.187 -5.422 1.00 0.00 H new ATOM 0 HG1 THR A 21 -4.126 -3.503 -7.551 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.902 -1.913 -7.358 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.969 -0.955 -5.860 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.684 -0.651 -7.053 1.00 0.00 H new ATOM 288 N ALA A 22 -4.409 0.192 -3.665 1.00 0.00 N ATOM 289 CA ALA A 22 -5.239 0.928 -2.719 1.00 0.00 C ATOM 290 C ALA A 22 -6.719 0.768 -3.047 1.00 0.00 C ATOM 291 O ALA A 22 -7.197 1.263 -4.069 1.00 0.00 O ATOM 292 CB ALA A 22 -4.854 2.400 -2.712 1.00 0.00 C ATOM 0 H ALA A 22 -3.783 0.776 -4.219 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.067 0.514 -1.725 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.482 2.937 -2.001 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.808 2.501 -2.421 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.995 2.818 -3.709 1.00 0.00 H new ATOM 298 N LEU A 23 -7.442 0.073 -2.175 1.00 0.00 N ATOM 299 CA LEU A 23 -8.870 -0.153 -2.372 1.00 0.00 C ATOM 300 C LEU A 23 -9.657 1.140 -2.185 1.00 0.00 C ATOM 301 O LEU A 23 -10.713 1.328 -2.789 1.00 0.00 O ATOM 302 CB LEU A 23 -9.377 -1.218 -1.398 1.00 0.00 C ATOM 303 CG LEU A 23 -8.641 -2.558 -1.425 1.00 0.00 C ATOM 304 CD1 LEU A 23 -9.120 -3.453 -0.293 1.00 0.00 C ATOM 305 CD2 LEU A 23 -8.833 -3.245 -2.769 1.00 0.00 C ATOM 0 H LEU A 23 -7.063 -0.344 -1.325 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.020 -0.503 -3.393 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -9.318 -0.814 -0.387 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.431 -1.401 -1.608 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.577 -2.369 -1.285 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.585 -4.402 -0.328 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.930 -2.964 0.663 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.189 -3.635 -0.401 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.302 -4.197 -2.770 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.895 -3.421 -2.939 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.439 -2.609 -3.562 1.00 0.00 H new ATOM 317 N TYR A 24 -9.134 2.029 -1.348 1.00 0.00 N ATOM 318 CA TYR A 24 -9.788 3.304 -1.081 1.00 0.00 C ATOM 319 C TYR A 24 -8.760 4.420 -0.919 1.00 0.00 C ATOM 320 O TYR A 24 -7.599 4.168 -0.595 1.00 0.00 O ATOM 321 CB TYR A 24 -10.652 3.205 0.177 1.00 0.00 C ATOM 322 CG TYR A 24 -11.522 1.969 0.219 1.00 0.00 C ATOM 323 CD1 TYR A 24 -12.730 1.923 -0.467 1.00 0.00 C ATOM 324 CD2 TYR A 24 -11.137 0.848 0.944 1.00 0.00 C ATOM 325 CE1 TYR A 24 -13.529 0.796 -0.431 1.00 0.00 C ATOM 326 CE2 TYR A 24 -11.928 -0.283 0.983 1.00 0.00 C ATOM 327 CZ TYR A 24 -13.123 -0.304 0.294 1.00 0.00 C ATOM 328 OH TYR A 24 -13.915 -1.429 0.333 1.00 0.00 O ATOM 0 H TYR A 24 -8.259 1.890 -0.843 1.00 0.00 H new ATOM 0 HA TYR A 24 -10.425 3.542 -1.933 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -10.004 3.213 1.054 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -11.287 4.088 0.242 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -13.050 2.782 -1.038 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -10.203 0.862 1.486 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -14.466 0.777 -0.968 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -11.613 -1.147 1.550 1.00 0.00 H new ATOM 0 HH TYR A 24 -13.484 -2.113 0.886 1.00 0.00 H new ATOM 338 N SER A 25 -9.196 5.655 -1.146 1.00 0.00 N ATOM 339 CA SER A 25 -8.314 6.810 -1.029 1.00 0.00 C ATOM 340 C SER A 25 -7.984 7.096 0.433 1.00 0.00 C ATOM 341 O SER A 25 -8.765 6.779 1.331 1.00 0.00 O ATOM 342 CB SER A 25 -8.963 8.040 -1.666 1.00 0.00 C ATOM 343 OG SER A 25 -9.265 7.808 -3.031 1.00 0.00 O ATOM 0 H SER A 25 -10.154 5.881 -1.412 1.00 0.00 H new ATOM 0 HA SER A 25 -7.387 6.583 -1.555 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.875 8.294 -1.127 1.00 0.00 H new ATOM 0 HB3 SER A 25 -8.293 8.895 -1.579 1.00 0.00 H new ATOM 0 HG SER A 25 -9.680 8.608 -3.415 1.00 0.00 H new ATOM 349 N PHE A 26 -6.821 7.695 0.665 1.00 0.00 N ATOM 350 CA PHE A 26 -6.385 8.023 2.017 1.00 0.00 C ATOM 351 C PHE A 26 -5.550 9.300 2.025 1.00 0.00 C ATOM 352 O PHE A 26 -5.048 9.732 0.988 1.00 0.00 O ATOM 353 CB PHE A 26 -5.575 6.867 2.609 1.00 0.00 C ATOM 354 CG PHE A 26 -4.932 7.198 3.925 1.00 0.00 C ATOM 355 CD1 PHE A 26 -5.669 7.173 5.098 1.00 0.00 C ATOM 356 CD2 PHE A 26 -3.590 7.535 3.990 1.00 0.00 C ATOM 357 CE1 PHE A 26 -5.080 7.477 6.311 1.00 0.00 C ATOM 358 CE2 PHE A 26 -2.995 7.840 5.199 1.00 0.00 C ATOM 359 CZ PHE A 26 -3.742 7.811 6.361 1.00 0.00 C ATOM 0 H PHE A 26 -6.163 7.963 -0.067 1.00 0.00 H new ATOM 0 HA PHE A 26 -7.273 8.187 2.628 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -6.229 6.005 2.740 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.801 6.575 1.899 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.717 6.913 5.064 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.002 7.560 3.085 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.666 7.453 7.218 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.948 8.101 5.236 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.279 8.049 7.307 1.00 0.00 H new ATOM 369 N GLU A 27 -5.406 9.899 3.203 1.00 0.00 N ATOM 370 CA GLU A 27 -4.633 11.127 3.346 1.00 0.00 C ATOM 371 C GLU A 27 -3.894 11.153 4.680 1.00 0.00 C ATOM 372 O GLU A 27 -4.502 11.323 5.736 1.00 0.00 O ATOM 373 CB GLU A 27 -5.549 12.348 3.234 1.00 0.00 C ATOM 374 CG GLU A 27 -5.847 12.756 1.801 1.00 0.00 C ATOM 375 CD GLU A 27 -6.816 13.920 1.715 1.00 0.00 C ATOM 376 OE1 GLU A 27 -8.037 13.685 1.826 1.00 0.00 O ATOM 377 OE2 GLU A 27 -6.351 15.065 1.537 1.00 0.00 O ATOM 0 H GLU A 27 -5.814 9.554 4.072 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.897 11.158 2.542 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.488 12.135 3.745 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.087 13.187 3.753 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.916 13.026 1.303 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.261 11.903 1.263 1.00 0.00 H new ATOM 384 N GLY A 28 -2.577 10.981 4.624 1.00 0.00 N ATOM 385 CA GLY A 28 -1.776 10.987 5.834 1.00 0.00 C ATOM 386 C GLY A 28 -2.074 12.180 6.721 1.00 0.00 C ATOM 387 O GLY A 28 -1.624 13.292 6.447 1.00 0.00 O ATOM 0 H GLY A 28 -2.050 10.838 3.762 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -1.959 10.069 6.392 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.719 10.992 5.567 1.00 0.00 H new ATOM 439 N GLY A 32 4.075 12.202 9.211 1.00 0.00 N ATOM 440 CA GLY A 32 4.890 11.033 8.935 1.00 0.00 C ATOM 441 C GLY A 32 4.094 9.906 8.307 1.00 0.00 C ATOM 442 O GLY A 32 4.464 8.738 8.420 1.00 0.00 O ATOM 0 HA2 GLY A 32 5.706 11.312 8.269 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.342 10.682 9.863 1.00 0.00 H new ATOM 446 N ASP A 33 2.996 10.257 7.645 1.00 0.00 N ATOM 447 CA ASP A 33 2.145 9.266 6.997 1.00 0.00 C ATOM 448 C ASP A 33 2.299 9.326 5.481 1.00 0.00 C ATOM 449 O ASP A 33 3.102 10.099 4.958 1.00 0.00 O ATOM 450 CB ASP A 33 0.682 9.490 7.383 1.00 0.00 C ATOM 451 CG ASP A 33 0.430 9.256 8.860 1.00 0.00 C ATOM 452 OD1 ASP A 33 1.396 9.345 9.647 1.00 0.00 O ATOM 453 OD2 ASP A 33 -0.732 8.985 9.229 1.00 0.00 O ATOM 0 H ASP A 33 2.675 11.220 7.543 1.00 0.00 H new ATOM 0 HA ASP A 33 2.455 8.278 7.337 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.393 10.509 7.125 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.049 8.822 6.799 1.00 0.00 H new ATOM 458 N LEU A 34 1.525 8.504 4.780 1.00 0.00 N ATOM 459 CA LEU A 34 1.576 8.462 3.323 1.00 0.00 C ATOM 460 C LEU A 34 0.218 8.807 2.721 1.00 0.00 C ATOM 461 O LEU A 34 -0.824 8.448 3.268 1.00 0.00 O ATOM 462 CB LEU A 34 2.020 7.077 2.848 1.00 0.00 C ATOM 463 CG LEU A 34 2.070 6.871 1.334 1.00 0.00 C ATOM 464 CD1 LEU A 34 3.358 7.441 0.760 1.00 0.00 C ATOM 465 CD2 LEU A 34 1.940 5.394 0.992 1.00 0.00 C ATOM 0 H LEU A 34 0.855 7.858 5.197 1.00 0.00 H new ATOM 0 HA LEU A 34 2.301 9.204 2.988 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.011 6.876 3.255 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.344 6.335 3.273 1.00 0.00 H new ATOM 0 HG LEU A 34 1.230 7.403 0.887 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.376 7.285 -0.319 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.410 8.509 0.973 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.212 6.938 1.213 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.978 5.266 -0.090 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.759 4.841 1.451 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.990 5.015 1.369 1.00 0.00 H new ATOM 477 N ASN A 35 0.238 9.505 1.589 1.00 0.00 N ATOM 478 CA ASN A 35 -0.992 9.897 0.911 1.00 0.00 C ATOM 479 C ASN A 35 -1.152 9.143 -0.406 1.00 0.00 C ATOM 480 O ASN A 35 -0.289 9.212 -1.281 1.00 0.00 O ATOM 481 CB ASN A 35 -0.998 11.405 0.653 1.00 0.00 C ATOM 482 CG ASN A 35 -1.346 12.203 1.895 1.00 0.00 C ATOM 483 OD1 ASN A 35 -2.293 12.990 1.895 1.00 0.00 O ATOM 484 ND2 ASN A 35 -0.580 12.003 2.960 1.00 0.00 N ATOM 0 H ASN A 35 1.092 9.810 1.123 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.831 9.643 1.558 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.017 11.713 0.290 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.716 11.633 -0.135 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.766 12.512 3.824 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.194 11.341 2.914 1.00 0.00 H new ATOM 491 N PHE A 36 -2.261 8.424 -0.539 1.00 0.00 N ATOM 492 CA PHE A 36 -2.534 7.658 -1.749 1.00 0.00 C ATOM 493 C PHE A 36 -4.009 7.749 -2.130 1.00 0.00 C ATOM 494 O PHE A 36 -4.814 8.326 -1.399 1.00 0.00 O ATOM 495 CB PHE A 36 -2.138 6.193 -1.551 1.00 0.00 C ATOM 496 CG PHE A 36 -2.841 5.532 -0.400 1.00 0.00 C ATOM 497 CD1 PHE A 36 -2.326 5.614 0.884 1.00 0.00 C ATOM 498 CD2 PHE A 36 -4.018 4.829 -0.602 1.00 0.00 C ATOM 499 CE1 PHE A 36 -2.971 5.007 1.944 1.00 0.00 C ATOM 500 CE2 PHE A 36 -4.668 4.220 0.455 1.00 0.00 C ATOM 501 CZ PHE A 36 -4.144 4.309 1.730 1.00 0.00 C ATOM 0 H PHE A 36 -2.985 8.356 0.176 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.940 8.083 -2.559 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.355 5.640 -2.465 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.061 6.134 -1.391 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.410 6.159 1.058 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.432 4.756 -1.597 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.559 5.078 2.940 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.585 3.675 0.284 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.650 3.834 2.558 1.00 0.00 H new ATOM 511 N GLN A 37 -4.354 7.178 -3.279 1.00 0.00 N ATOM 512 CA GLN A 37 -5.731 7.196 -3.758 1.00 0.00 C ATOM 513 C GLN A 37 -6.203 5.790 -4.113 1.00 0.00 C ATOM 514 O GLN A 37 -5.393 4.892 -4.340 1.00 0.00 O ATOM 515 CB GLN A 37 -5.857 8.112 -4.978 1.00 0.00 C ATOM 516 CG GLN A 37 -5.589 9.576 -4.670 1.00 0.00 C ATOM 517 CD GLN A 37 -5.164 10.361 -5.894 1.00 0.00 C ATOM 518 OE1 GLN A 37 -4.105 10.991 -5.906 1.00 0.00 O ATOM 519 NE2 GLN A 37 -5.988 10.329 -6.934 1.00 0.00 N ATOM 0 H GLN A 37 -3.699 6.697 -3.896 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.362 7.580 -2.957 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.160 7.778 -5.746 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.860 8.014 -5.393 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.488 10.025 -4.249 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.811 9.647 -3.909 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -6.855 9.794 -6.881 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.754 10.839 -7.786 1.00 0.00 H new ATOM 528 N ALA A 38 -7.519 5.607 -4.157 1.00 0.00 N ATOM 529 CA ALA A 38 -8.098 4.310 -4.485 1.00 0.00 C ATOM 530 C ALA A 38 -7.657 3.846 -5.869 1.00 0.00 C ATOM 531 O ALA A 38 -8.147 4.336 -6.885 1.00 0.00 O ATOM 532 CB ALA A 38 -9.617 4.376 -4.408 1.00 0.00 C ATOM 0 H ALA A 38 -8.203 6.340 -3.970 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.739 3.584 -3.755 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.037 3.401 -4.655 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -9.918 4.655 -3.398 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -9.985 5.119 -5.115 1.00 0.00 H new ATOM 538 N GLY A 39 -6.726 2.896 -5.901 1.00 0.00 N ATOM 539 CA GLY A 39 -6.234 2.382 -7.165 1.00 0.00 C ATOM 540 C GLY A 39 -4.725 2.479 -7.282 1.00 0.00 C ATOM 541 O GLY A 39 -4.089 1.628 -7.904 1.00 0.00 O ATOM 0 H GLY A 39 -6.304 2.474 -5.074 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.538 1.341 -7.273 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.695 2.935 -7.983 1.00 0.00 H new ATOM 545 N ASP A 40 -4.153 3.518 -6.685 1.00 0.00 N ATOM 546 CA ASP A 40 -2.709 3.723 -6.726 1.00 0.00 C ATOM 547 C ASP A 40 -1.975 2.539 -6.105 1.00 0.00 C ATOM 548 O ASP A 40 -2.396 2.003 -5.080 1.00 0.00 O ATOM 549 CB ASP A 40 -2.335 5.012 -5.993 1.00 0.00 C ATOM 550 CG ASP A 40 -2.359 6.224 -6.904 1.00 0.00 C ATOM 551 OD1 ASP A 40 -1.509 6.297 -7.816 1.00 0.00 O ATOM 552 OD2 ASP A 40 -3.228 7.098 -6.706 1.00 0.00 O ATOM 0 H ASP A 40 -4.666 4.231 -6.167 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.408 3.807 -7.770 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.026 5.170 -5.165 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.340 4.905 -5.561 1.00 0.00 H new ATOM 557 N ARG A 41 -0.875 2.136 -6.734 1.00 0.00 N ATOM 558 CA ARG A 41 -0.083 1.014 -6.244 1.00 0.00 C ATOM 559 C ARG A 41 0.987 1.489 -5.266 1.00 0.00 C ATOM 560 O ARG A 41 1.767 2.391 -5.575 1.00 0.00 O ATOM 561 CB ARG A 41 0.571 0.275 -7.414 1.00 0.00 C ATOM 562 CG ARG A 41 -0.409 -0.533 -8.248 1.00 0.00 C ATOM 563 CD ARG A 41 -1.163 0.348 -9.232 1.00 0.00 C ATOM 564 NE ARG A 41 -0.449 0.491 -10.498 1.00 0.00 N ATOM 565 CZ ARG A 41 -0.230 -0.516 -11.336 1.00 0.00 C ATOM 566 NH1 ARG A 41 -0.669 -1.733 -11.044 1.00 0.00 N ATOM 567 NH2 ARG A 41 0.428 -0.307 -12.469 1.00 0.00 N ATOM 0 H ARG A 41 -0.513 2.570 -7.583 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.752 0.331 -5.720 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.071 1.000 -8.057 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.341 -0.392 -7.027 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.129 -1.310 -8.792 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.118 -1.036 -7.591 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.149 -0.078 -9.418 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.319 1.332 -8.791 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.099 1.415 -10.753 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.176 -1.897 -10.174 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.500 -2.505 -11.689 1.00 0.00 H new ATOM 0 HH21 ARG A 41 0.766 0.628 -12.697 1.00 0.00 H new ATOM 0 HH22 ARG A 41 0.596 -1.081 -13.112 1.00 0.00 H new ATOM 581 N ILE A 42 1.018 0.877 -4.087 1.00 0.00 N ATOM 582 CA ILE A 42 1.992 1.237 -3.065 1.00 0.00 C ATOM 583 C ILE A 42 3.041 0.143 -2.895 1.00 0.00 C ATOM 584 O ILE A 42 2.709 -1.026 -2.698 1.00 0.00 O ATOM 585 CB ILE A 42 1.314 1.498 -1.708 1.00 0.00 C ATOM 586 CG1 ILE A 42 0.242 2.581 -1.848 1.00 0.00 C ATOM 587 CG2 ILE A 42 2.348 1.900 -0.667 1.00 0.00 C ATOM 588 CD1 ILE A 42 -0.906 2.425 -0.875 1.00 0.00 C ATOM 0 H ILE A 42 0.379 0.129 -3.816 1.00 0.00 H new ATOM 0 HA ILE A 42 2.478 2.153 -3.401 1.00 0.00 H new ATOM 0 HB ILE A 42 0.833 0.578 -1.377 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.703 3.558 -1.700 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.150 2.564 -2.865 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.853 2.081 0.287 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.078 1.099 -0.551 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.856 2.809 -0.990 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.627 3.227 -1.032 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.392 1.463 -1.037 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.527 2.472 0.146 1.00 0.00 H new ATOM 600 N THR A 43 4.310 0.531 -2.972 1.00 0.00 N ATOM 601 CA THR A 43 5.408 -0.416 -2.826 1.00 0.00 C ATOM 602 C THR A 43 5.678 -0.724 -1.357 1.00 0.00 C ATOM 603 O THR A 43 6.336 0.049 -0.661 1.00 0.00 O ATOM 604 CB THR A 43 6.701 0.118 -3.472 1.00 0.00 C ATOM 605 OG1 THR A 43 6.507 0.298 -4.879 1.00 0.00 O ATOM 606 CG2 THR A 43 7.861 -0.836 -3.232 1.00 0.00 C ATOM 0 H THR A 43 4.603 1.494 -3.135 1.00 0.00 H new ATOM 0 HA THR A 43 5.106 -1.330 -3.337 1.00 0.00 H new ATOM 0 HB THR A 43 6.941 1.077 -3.013 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.333 0.639 -5.282 1.00 0.00 H new ATOM 0 HG21 THR A 43 8.762 -0.437 -3.698 1.00 0.00 H new ATOM 0 HG22 THR A 43 8.025 -0.947 -2.160 1.00 0.00 H new ATOM 0 HG23 THR A 43 7.628 -1.808 -3.666 1.00 0.00 H new ATOM 614 N VAL A 44 5.164 -1.858 -0.891 1.00 0.00 N ATOM 615 CA VAL A 44 5.351 -2.269 0.495 1.00 0.00 C ATOM 616 C VAL A 44 6.819 -2.555 0.791 1.00 0.00 C ATOM 617 O VAL A 44 7.408 -3.477 0.227 1.00 0.00 O ATOM 618 CB VAL A 44 4.519 -3.522 0.826 1.00 0.00 C ATOM 619 CG1 VAL A 44 4.727 -3.934 2.275 1.00 0.00 C ATOM 620 CG2 VAL A 44 3.045 -3.274 0.540 1.00 0.00 C ATOM 0 H VAL A 44 4.615 -2.508 -1.453 1.00 0.00 H new ATOM 0 HA VAL A 44 5.012 -1.441 1.118 1.00 0.00 H new ATOM 0 HB VAL A 44 4.857 -4.339 0.189 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.131 -4.821 2.490 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.781 -4.155 2.443 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.418 -3.121 2.932 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.472 -4.170 0.780 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.691 -2.443 1.150 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.915 -3.031 -0.515 1.00 0.00 H new ATOM 630 N ILE A 45 7.404 -1.757 1.678 1.00 0.00 N ATOM 631 CA ILE A 45 8.803 -1.926 2.050 1.00 0.00 C ATOM 632 C ILE A 45 8.933 -2.564 3.429 1.00 0.00 C ATOM 633 O ILE A 45 9.836 -3.364 3.672 1.00 0.00 O ATOM 634 CB ILE A 45 9.553 -0.580 2.047 1.00 0.00 C ATOM 635 CG1 ILE A 45 8.639 0.538 2.552 1.00 0.00 C ATOM 636 CG2 ILE A 45 10.065 -0.263 0.650 1.00 0.00 C ATOM 637 CD1 ILE A 45 9.341 1.870 2.703 1.00 0.00 C ATOM 0 H ILE A 45 6.931 -0.988 2.152 1.00 0.00 H new ATOM 0 HA ILE A 45 9.250 -2.584 1.305 1.00 0.00 H new ATOM 0 HB ILE A 45 10.409 -0.655 2.718 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.803 0.653 1.862 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.219 0.246 3.515 1.00 0.00 H new ATOM 0 HG21 ILE A 45 10.593 0.691 0.664 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.746 -1.050 0.325 1.00 0.00 H new ATOM 0 HG23 ILE A 45 9.224 -0.203 -0.041 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.633 2.616 3.065 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.160 1.771 3.416 1.00 0.00 H new ATOM 0 HD13 ILE A 45 9.737 2.184 1.737 1.00 0.00 H new ATOM 649 N SER A 46 8.023 -2.205 4.329 1.00 0.00 N ATOM 650 CA SER A 46 8.036 -2.741 5.685 1.00 0.00 C ATOM 651 C SER A 46 6.616 -2.981 6.188 1.00 0.00 C ATOM 652 O SER A 46 5.881 -2.038 6.485 1.00 0.00 O ATOM 653 CB SER A 46 8.768 -1.783 6.627 1.00 0.00 C ATOM 654 OG SER A 46 9.115 -2.428 7.841 1.00 0.00 O ATOM 0 H SER A 46 7.268 -1.545 4.144 1.00 0.00 H new ATOM 0 HA SER A 46 8.562 -3.695 5.667 1.00 0.00 H new ATOM 0 HB2 SER A 46 9.668 -1.407 6.141 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.135 -0.921 6.837 1.00 0.00 H new ATOM 0 HG SER A 46 9.583 -1.796 8.425 1.00 0.00 H new ATOM 660 N LYS A 47 6.234 -4.250 6.282 1.00 0.00 N ATOM 661 CA LYS A 47 4.903 -4.617 6.750 1.00 0.00 C ATOM 662 C LYS A 47 4.969 -5.815 7.693 1.00 0.00 C ATOM 663 O LYS A 47 6.013 -6.454 7.830 1.00 0.00 O ATOM 664 CB LYS A 47 3.993 -4.939 5.562 1.00 0.00 C ATOM 665 CG LYS A 47 4.354 -6.233 4.853 1.00 0.00 C ATOM 666 CD LYS A 47 3.195 -6.753 4.019 1.00 0.00 C ATOM 667 CE LYS A 47 2.263 -7.628 4.842 1.00 0.00 C ATOM 668 NZ LYS A 47 2.864 -8.960 5.130 1.00 0.00 N ATOM 0 H LYS A 47 6.828 -5.043 6.040 1.00 0.00 H new ATOM 0 HA LYS A 47 4.490 -3.769 7.296 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.962 -5.001 5.911 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.039 -4.118 4.847 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.220 -6.068 4.212 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.640 -6.985 5.589 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.637 -5.913 3.607 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.581 -7.324 3.175 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.027 -7.125 5.780 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.323 -7.762 4.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.337 -9.696 4.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.857 -8.967 4.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.818 -9.148 6.152 1.00 0.00 H new ATOM 682 N THR A 48 3.847 -6.115 8.340 1.00 0.00 N ATOM 683 CA THR A 48 3.778 -7.236 9.269 1.00 0.00 C ATOM 684 C THR A 48 2.784 -8.287 8.789 1.00 0.00 C ATOM 685 O THR A 48 2.169 -8.137 7.733 1.00 0.00 O ATOM 686 CB THR A 48 3.373 -6.771 10.681 1.00 0.00 C ATOM 687 OG1 THR A 48 2.055 -6.212 10.654 1.00 0.00 O ATOM 688 CG2 THR A 48 4.356 -5.739 11.213 1.00 0.00 C ATOM 0 H THR A 48 2.974 -5.597 8.238 1.00 0.00 H new ATOM 0 HA THR A 48 4.775 -7.674 9.310 1.00 0.00 H new ATOM 0 HB THR A 48 3.386 -7.637 11.342 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.805 -5.920 11.556 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.050 -5.425 12.211 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.353 -6.177 11.260 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.370 -4.874 10.549 1.00 0.00 H new ATOM 696 N ASP A 49 2.632 -9.351 9.570 1.00 0.00 N ATOM 697 CA ASP A 49 1.710 -10.427 9.225 1.00 0.00 C ATOM 698 C ASP A 49 0.262 -9.966 9.356 1.00 0.00 C ATOM 699 O ASP A 49 -0.570 -10.248 8.494 1.00 0.00 O ATOM 700 CB ASP A 49 1.955 -11.643 10.119 1.00 0.00 C ATOM 701 CG ASP A 49 1.186 -12.866 9.658 1.00 0.00 C ATOM 702 OD1 ASP A 49 -0.018 -12.962 9.974 1.00 0.00 O ATOM 703 OD2 ASP A 49 1.789 -13.726 8.982 1.00 0.00 O ATOM 0 H ASP A 49 3.135 -9.491 10.446 1.00 0.00 H new ATOM 0 HA ASP A 49 1.890 -10.707 8.187 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.021 -11.871 10.132 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.668 -11.401 11.142 1.00 0.00 H new ATOM 708 N SER A 50 -0.032 -9.257 10.441 1.00 0.00 N ATOM 709 CA SER A 50 -1.380 -8.761 10.688 1.00 0.00 C ATOM 710 C SER A 50 -1.777 -7.722 9.644 1.00 0.00 C ATOM 711 O SER A 50 -0.939 -6.960 9.160 1.00 0.00 O ATOM 712 CB SER A 50 -1.475 -8.155 12.090 1.00 0.00 C ATOM 713 OG SER A 50 -1.311 -9.148 13.087 1.00 0.00 O ATOM 0 H SER A 50 0.646 -9.013 11.163 1.00 0.00 H new ATOM 0 HA SER A 50 -2.069 -9.603 10.617 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.712 -7.386 12.210 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.442 -7.667 12.214 1.00 0.00 H new ATOM 0 HG SER A 50 -1.374 -8.735 13.974 1.00 0.00 H new ATOM 719 N HIS A 51 -3.061 -7.696 9.301 1.00 0.00 N ATOM 720 CA HIS A 51 -3.570 -6.751 8.315 1.00 0.00 C ATOM 721 C HIS A 51 -3.978 -5.439 8.979 1.00 0.00 C ATOM 722 O HIS A 51 -3.412 -4.384 8.692 1.00 0.00 O ATOM 723 CB HIS A 51 -4.764 -7.350 7.570 1.00 0.00 C ATOM 724 CG HIS A 51 -4.379 -8.378 6.552 1.00 0.00 C ATOM 725 ND1 HIS A 51 -4.925 -8.426 5.286 1.00 0.00 N ATOM 726 CD2 HIS A 51 -3.494 -9.401 6.616 1.00 0.00 C ATOM 727 CE1 HIS A 51 -4.395 -9.434 4.617 1.00 0.00 C ATOM 728 NE2 HIS A 51 -3.523 -10.042 5.402 1.00 0.00 N ATOM 0 H HIS A 51 -3.768 -8.319 9.692 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.772 -6.545 7.602 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.443 -7.803 8.293 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -5.313 -6.548 7.076 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -2.879 -9.664 7.464 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -4.634 -9.714 3.601 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -2.963 -10.855 5.147 1.00 0.00 H new ATOM 737 N PHE A 52 -4.962 -5.513 9.869 1.00 0.00 N ATOM 738 CA PHE A 52 -5.446 -4.331 10.573 1.00 0.00 C ATOM 739 C PHE A 52 -4.297 -3.378 10.891 1.00 0.00 C ATOM 740 O PHE A 52 -4.436 -2.161 10.773 1.00 0.00 O ATOM 741 CB PHE A 52 -6.158 -4.737 11.865 1.00 0.00 C ATOM 742 CG PHE A 52 -7.173 -3.733 12.332 1.00 0.00 C ATOM 743 CD1 PHE A 52 -8.262 -3.409 11.539 1.00 0.00 C ATOM 744 CD2 PHE A 52 -7.037 -3.112 13.563 1.00 0.00 C ATOM 745 CE1 PHE A 52 -9.198 -2.485 11.965 1.00 0.00 C ATOM 746 CE2 PHE A 52 -7.970 -2.188 13.995 1.00 0.00 C ATOM 747 CZ PHE A 52 -9.051 -1.873 13.194 1.00 0.00 C ATOM 0 H PHE A 52 -5.440 -6.379 10.120 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.153 -3.816 9.922 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.652 -5.697 11.712 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.415 -4.882 12.649 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -8.381 -3.884 10.576 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -6.193 -3.352 14.192 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -10.043 -2.242 11.338 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.854 -1.713 14.958 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.780 -1.149 13.529 1.00 0.00 H new ATOM 757 N ASP A 53 -3.164 -3.942 11.293 1.00 0.00 N ATOM 758 CA ASP A 53 -1.990 -3.144 11.627 1.00 0.00 C ATOM 759 C ASP A 53 -1.591 -2.248 10.459 1.00 0.00 C ATOM 760 O ASP A 53 -1.931 -2.524 9.308 1.00 0.00 O ATOM 761 CB ASP A 53 -0.821 -4.053 12.011 1.00 0.00 C ATOM 762 CG ASP A 53 -1.059 -4.781 13.319 1.00 0.00 C ATOM 763 OD1 ASP A 53 -1.824 -5.768 13.319 1.00 0.00 O ATOM 764 OD2 ASP A 53 -0.478 -4.364 14.343 1.00 0.00 O ATOM 0 H ASP A 53 -3.033 -4.948 11.396 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.242 -2.511 12.477 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.656 -4.782 11.218 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.088 -3.457 12.091 1.00 0.00 H new ATOM 769 N TRP A 54 -0.871 -1.174 10.762 1.00 0.00 N ATOM 770 CA TRP A 54 -0.427 -0.237 9.737 1.00 0.00 C ATOM 771 C TRP A 54 0.907 -0.673 9.141 1.00 0.00 C ATOM 772 O TRP A 54 1.805 -1.110 9.860 1.00 0.00 O ATOM 773 CB TRP A 54 -0.302 1.171 10.323 1.00 0.00 C ATOM 774 CG TRP A 54 -1.624 1.837 10.555 1.00 0.00 C ATOM 775 CD1 TRP A 54 -2.728 1.287 11.141 1.00 0.00 C ATOM 776 CD2 TRP A 54 -1.981 3.179 10.203 1.00 0.00 C ATOM 777 NE1 TRP A 54 -3.750 2.205 11.175 1.00 0.00 N ATOM 778 CE2 TRP A 54 -3.316 3.374 10.607 1.00 0.00 C ATOM 779 CE3 TRP A 54 -1.302 4.234 9.589 1.00 0.00 C ATOM 780 CZ2 TRP A 54 -3.983 4.581 10.413 1.00 0.00 C ATOM 781 CZ3 TRP A 54 -1.965 5.431 9.398 1.00 0.00 C ATOM 782 CH2 TRP A 54 -3.294 5.597 9.809 1.00 0.00 C ATOM 0 H TRP A 54 -0.582 -0.930 11.709 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.173 -0.227 8.942 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.240 1.117 11.267 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.293 1.786 9.648 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.789 0.278 11.522 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -4.680 2.043 11.560 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.277 4.116 9.269 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -5.008 4.710 10.728 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -1.450 6.253 8.924 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -3.784 6.545 9.646 1.00 0.00 H new ATOM 793 N TRP A 55 1.029 -0.551 7.824 1.00 0.00 N ATOM 794 CA TRP A 55 2.255 -0.933 7.132 1.00 0.00 C ATOM 795 C TRP A 55 2.965 0.292 6.566 1.00 0.00 C ATOM 796 O TRP A 55 2.439 1.403 6.616 1.00 0.00 O ATOM 797 CB TRP A 55 1.943 -1.922 6.008 1.00 0.00 C ATOM 798 CG TRP A 55 1.366 -3.215 6.499 1.00 0.00 C ATOM 799 CD1 TRP A 55 1.393 -3.692 7.778 1.00 0.00 C ATOM 800 CD2 TRP A 55 0.677 -4.197 5.717 1.00 0.00 C ATOM 801 NE1 TRP A 55 0.762 -4.912 7.839 1.00 0.00 N ATOM 802 CE2 TRP A 55 0.314 -5.243 6.588 1.00 0.00 C ATOM 803 CE3 TRP A 55 0.330 -4.294 4.367 1.00 0.00 C ATOM 804 CZ2 TRP A 55 -0.377 -6.370 6.150 1.00 0.00 C ATOM 805 CZ3 TRP A 55 -0.356 -5.413 3.934 1.00 0.00 C ATOM 806 CH2 TRP A 55 -0.704 -6.438 4.823 1.00 0.00 C ATOM 0 H TRP A 55 0.295 -0.191 7.214 1.00 0.00 H new ATOM 0 HA TRP A 55 2.917 -1.411 7.854 1.00 0.00 H new ATOM 0 HB2 TRP A 55 1.243 -1.461 5.312 1.00 0.00 H new ATOM 0 HB3 TRP A 55 2.857 -2.128 5.451 1.00 0.00 H new ATOM 0 HD1 TRP A 55 1.844 -3.185 8.618 1.00 0.00 H new ATOM 0 HE1 TRP A 55 0.646 -5.478 8.679 1.00 0.00 H new ATOM 0 HE3 TRP A 55 0.593 -3.508 3.674 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -0.645 -7.162 6.833 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -0.628 -5.499 2.892 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -1.241 -7.299 4.454 1.00 0.00 H new ATOM 817 N GLU A 56 4.162 0.081 6.027 1.00 0.00 N ATOM 818 CA GLU A 56 4.942 1.170 5.451 1.00 0.00 C ATOM 819 C GLU A 56 5.270 0.890 3.988 1.00 0.00 C ATOM 820 O GLU A 56 5.967 -0.073 3.670 1.00 0.00 O ATOM 821 CB GLU A 56 6.234 1.375 6.245 1.00 0.00 C ATOM 822 CG GLU A 56 7.031 2.592 5.806 1.00 0.00 C ATOM 823 CD GLU A 56 8.277 2.807 6.644 1.00 0.00 C ATOM 824 OE1 GLU A 56 9.336 2.250 6.288 1.00 0.00 O ATOM 825 OE2 GLU A 56 8.192 3.534 7.657 1.00 0.00 O ATOM 0 H GLU A 56 4.612 -0.833 5.977 1.00 0.00 H new ATOM 0 HA GLU A 56 4.343 2.079 5.503 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.989 1.474 7.303 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.858 0.487 6.144 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.316 2.477 4.760 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.399 3.478 5.868 1.00 0.00 H new ATOM 832 N GLY A 57 4.762 1.739 3.100 1.00 0.00 N ATOM 833 CA GLY A 57 5.010 1.566 1.681 1.00 0.00 C ATOM 834 C GLY A 57 5.520 2.833 1.023 1.00 0.00 C ATOM 835 O GLY A 57 5.709 3.853 1.686 1.00 0.00 O ATOM 0 H GLY A 57 4.183 2.544 3.338 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.738 0.767 1.537 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.089 1.251 1.190 1.00 0.00 H new ATOM 839 N LYS A 58 5.746 2.769 -0.285 1.00 0.00 N ATOM 840 CA LYS A 58 6.238 3.919 -1.034 1.00 0.00 C ATOM 841 C LYS A 58 5.325 4.229 -2.216 1.00 0.00 C ATOM 842 O LYS A 58 4.950 3.334 -2.975 1.00 0.00 O ATOM 843 CB LYS A 58 7.662 3.659 -1.530 1.00 0.00 C ATOM 844 CG LYS A 58 8.736 4.086 -0.544 1.00 0.00 C ATOM 845 CD LYS A 58 10.017 3.290 -0.736 1.00 0.00 C ATOM 846 CE LYS A 58 10.915 3.924 -1.788 1.00 0.00 C ATOM 847 NZ LYS A 58 12.354 3.647 -1.527 1.00 0.00 N ATOM 0 H LYS A 58 5.596 1.932 -0.848 1.00 0.00 H new ATOM 0 HA LYS A 58 6.244 4.781 -0.366 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.776 2.596 -1.741 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.813 4.189 -2.471 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.944 5.149 -0.669 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.371 3.950 0.474 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.553 3.227 0.211 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.772 2.270 -1.032 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.645 3.544 -2.773 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.750 5.001 -1.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.933 4.096 -2.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.619 4.032 -0.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.517 2.620 -1.536 1.00 0.00 H new ATOM 861 N LEU A 59 4.973 5.500 -2.368 1.00 0.00 N ATOM 862 CA LEU A 59 4.105 5.929 -3.460 1.00 0.00 C ATOM 863 C LEU A 59 4.502 7.314 -3.959 1.00 0.00 C ATOM 864 O LEU A 59 4.921 8.169 -3.179 1.00 0.00 O ATOM 865 CB LEU A 59 2.645 5.937 -3.004 1.00 0.00 C ATOM 866 CG LEU A 59 1.664 6.682 -3.910 1.00 0.00 C ATOM 867 CD1 LEU A 59 1.381 5.875 -5.167 1.00 0.00 C ATOM 868 CD2 LEU A 59 0.371 6.981 -3.164 1.00 0.00 C ATOM 0 H LEU A 59 5.275 6.252 -1.749 1.00 0.00 H new ATOM 0 HA LEU A 59 4.219 5.221 -4.281 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.309 4.904 -2.909 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.598 6.380 -2.009 1.00 0.00 H new ATOM 0 HG LEU A 59 2.118 7.628 -4.205 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.681 6.421 -5.800 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.311 5.712 -5.712 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.948 4.913 -4.892 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.315 7.511 -3.824 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.087 6.046 -2.840 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.588 7.600 -2.293 1.00 0.00 H new ATOM 880 N ARG A 60 4.365 7.529 -5.264 1.00 0.00 N ATOM 881 CA ARG A 60 4.709 8.811 -5.867 1.00 0.00 C ATOM 882 C ARG A 60 6.050 9.316 -5.344 1.00 0.00 C ATOM 883 O ARG A 60 6.213 10.504 -5.067 1.00 0.00 O ATOM 884 CB ARG A 60 3.616 9.843 -5.580 1.00 0.00 C ATOM 885 CG ARG A 60 2.375 9.671 -6.440 1.00 0.00 C ATOM 886 CD ARG A 60 1.124 10.140 -5.713 1.00 0.00 C ATOM 887 NE ARG A 60 0.849 11.554 -5.954 1.00 0.00 N ATOM 888 CZ ARG A 60 -0.146 12.218 -5.376 1.00 0.00 C ATOM 889 NH1 ARG A 60 -0.957 11.599 -4.529 1.00 0.00 N ATOM 890 NH2 ARG A 60 -0.332 13.504 -5.646 1.00 0.00 N ATOM 0 H ARG A 60 4.018 6.832 -5.923 1.00 0.00 H new ATOM 0 HA ARG A 60 4.790 8.667 -6.944 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.332 9.776 -4.530 1.00 0.00 H new ATOM 0 HB3 ARG A 60 4.021 10.842 -5.738 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.492 10.234 -7.366 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.265 8.622 -6.716 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.271 9.544 -6.038 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.242 9.971 -4.643 1.00 0.00 H new ATOM 0 HE ARG A 60 1.454 12.059 -6.601 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.818 10.610 -4.320 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.720 12.111 -4.087 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.289 13.983 -6.298 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.096 14.013 -5.202 1.00 0.00 H new ATOM 904 N GLY A 61 7.009 8.405 -5.212 1.00 0.00 N ATOM 905 CA GLY A 61 8.324 8.777 -4.723 1.00 0.00 C ATOM 906 C GLY A 61 8.288 9.290 -3.297 1.00 0.00 C ATOM 907 O GLY A 61 9.040 10.195 -2.937 1.00 0.00 O ATOM 0 H GLY A 61 6.899 7.416 -5.435 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.987 7.913 -4.779 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.746 9.545 -5.372 1.00 0.00 H new ATOM 911 N GLN A 62 7.409 8.712 -2.484 1.00 0.00 N ATOM 912 CA GLN A 62 7.277 9.118 -1.090 1.00 0.00 C ATOM 913 C GLN A 62 7.280 7.905 -0.166 1.00 0.00 C ATOM 914 O GLN A 62 7.262 6.762 -0.624 1.00 0.00 O ATOM 915 CB GLN A 62 5.991 9.922 -0.891 1.00 0.00 C ATOM 916 CG GLN A 62 5.922 11.181 -1.741 1.00 0.00 C ATOM 917 CD GLN A 62 4.582 11.881 -1.639 1.00 0.00 C ATOM 918 OE1 GLN A 62 4.471 12.949 -1.036 1.00 0.00 O ATOM 919 NE2 GLN A 62 3.554 11.283 -2.231 1.00 0.00 N ATOM 0 H GLN A 62 6.778 7.962 -2.767 1.00 0.00 H new ATOM 0 HA GLN A 62 8.132 9.745 -0.838 1.00 0.00 H new ATOM 0 HB2 GLN A 62 5.136 9.288 -1.126 1.00 0.00 H new ATOM 0 HB3 GLN A 62 5.904 10.198 0.160 1.00 0.00 H new ATOM 0 HG2 GLN A 62 6.710 11.867 -1.432 1.00 0.00 H new ATOM 0 HG3 GLN A 62 6.114 10.923 -2.782 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.691 10.398 -2.720 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.628 11.708 -2.197 1.00 0.00 H new ATOM 928 N THR A 63 7.303 8.160 1.139 1.00 0.00 N ATOM 929 CA THR A 63 7.311 7.090 2.127 1.00 0.00 C ATOM 930 C THR A 63 6.491 7.470 3.355 1.00 0.00 C ATOM 931 O THR A 63 6.530 8.612 3.810 1.00 0.00 O ATOM 932 CB THR A 63 8.745 6.742 2.568 1.00 0.00 C ATOM 933 OG1 THR A 63 9.632 6.807 1.446 1.00 0.00 O ATOM 934 CG2 THR A 63 8.800 5.352 3.185 1.00 0.00 C ATOM 0 H THR A 63 7.316 9.100 1.535 1.00 0.00 H new ATOM 0 HA THR A 63 6.864 6.217 1.651 1.00 0.00 H new ATOM 0 HB THR A 63 9.056 7.468 3.319 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.542 6.586 1.735 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.823 5.129 3.489 1.00 0.00 H new ATOM 0 HG22 THR A 63 8.146 5.315 4.057 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.470 4.615 2.452 1.00 0.00 H new ATOM 942 N GLY A 64 5.750 6.503 3.889 1.00 0.00 N ATOM 943 CA GLY A 64 4.932 6.757 5.061 1.00 0.00 C ATOM 944 C GLY A 64 4.183 5.523 5.523 1.00 0.00 C ATOM 945 O GLY A 64 4.353 4.440 4.963 1.00 0.00 O ATOM 0 H GLY A 64 5.702 5.549 3.531 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.565 7.118 5.871 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.218 7.549 4.837 1.00 0.00 H new ATOM 949 N ILE A 65 3.354 5.686 6.549 1.00 0.00 N ATOM 950 CA ILE A 65 2.577 4.575 7.086 1.00 0.00 C ATOM 951 C ILE A 65 1.114 4.676 6.669 1.00 0.00 C ATOM 952 O ILE A 65 0.594 5.770 6.447 1.00 0.00 O ATOM 953 CB ILE A 65 2.659 4.523 8.623 1.00 0.00 C ATOM 954 CG1 ILE A 65 2.252 5.869 9.224 1.00 0.00 C ATOM 955 CG2 ILE A 65 4.064 4.143 9.065 1.00 0.00 C ATOM 956 CD1 ILE A 65 1.691 5.761 10.624 1.00 0.00 C ATOM 0 H ILE A 65 3.203 6.576 7.025 1.00 0.00 H new ATOM 0 HA ILE A 65 3.007 3.661 6.676 1.00 0.00 H new ATOM 0 HB ILE A 65 1.967 3.762 8.983 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.120 6.528 9.239 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.508 6.336 8.578 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.107 4.110 10.154 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.320 3.163 8.662 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.774 4.883 8.696 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.424 6.754 10.987 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.804 5.128 10.613 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.440 5.323 11.284 1.00 0.00 H new ATOM 968 N PHE A 66 0.453 3.528 6.567 1.00 0.00 N ATOM 969 CA PHE A 66 -0.952 3.486 6.178 1.00 0.00 C ATOM 970 C PHE A 66 -1.585 2.153 6.567 1.00 0.00 C ATOM 971 O PHE A 66 -0.916 1.123 6.660 1.00 0.00 O ATOM 972 CB PHE A 66 -1.092 3.709 4.670 1.00 0.00 C ATOM 973 CG PHE A 66 -0.523 2.592 3.843 1.00 0.00 C ATOM 974 CD1 PHE A 66 -1.295 1.488 3.521 1.00 0.00 C ATOM 975 CD2 PHE A 66 0.785 2.646 3.388 1.00 0.00 C ATOM 976 CE1 PHE A 66 -0.774 0.458 2.760 1.00 0.00 C ATOM 977 CE2 PHE A 66 1.311 1.620 2.626 1.00 0.00 C ATOM 978 CZ PHE A 66 0.531 0.524 2.313 1.00 0.00 C ATOM 0 H PHE A 66 0.868 2.614 6.748 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.474 4.284 6.707 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.147 3.830 4.425 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.593 4.640 4.401 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.316 1.431 3.868 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.400 3.500 3.632 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.387 -0.397 2.515 1.00 0.00 H new ATOM 0 HE2 PHE A 66 2.331 1.675 2.276 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.941 -0.280 1.720 1.00 0.00 H new ATOM 988 N PRO A 67 -2.905 2.172 6.801 1.00 0.00 N ATOM 989 CA PRO A 67 -3.658 0.974 7.184 1.00 0.00 C ATOM 990 C PRO A 67 -3.776 -0.027 6.040 1.00 0.00 C ATOM 991 O PRO A 67 -4.275 0.301 4.965 1.00 0.00 O ATOM 992 CB PRO A 67 -5.037 1.525 7.556 1.00 0.00 C ATOM 993 CG PRO A 67 -5.156 2.797 6.789 1.00 0.00 C ATOM 994 CD PRO A 67 -3.765 3.364 6.709 1.00 0.00 C ATOM 0 HA PRO A 67 -3.170 0.427 7.991 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.829 0.825 7.288 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -5.117 1.701 8.629 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -5.561 2.616 5.794 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.832 3.491 7.287 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.604 3.904 5.776 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.569 4.064 7.521 1.00 0.00 H new ATOM 1002 N ALA A 68 -3.313 -1.250 6.280 1.00 0.00 N ATOM 1003 CA ALA A 68 -3.369 -2.300 5.270 1.00 0.00 C ATOM 1004 C ALA A 68 -4.806 -2.568 4.836 1.00 0.00 C ATOM 1005 O ALA A 68 -5.048 -3.109 3.759 1.00 0.00 O ATOM 1006 CB ALA A 68 -2.729 -3.575 5.799 1.00 0.00 C ATOM 0 H ALA A 68 -2.895 -1.538 7.165 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.811 -1.961 4.397 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.778 -4.351 5.035 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.687 -3.381 6.053 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.263 -3.908 6.689 1.00 0.00 H new ATOM 1012 N ASN A 69 -5.756 -2.185 5.683 1.00 0.00 N ATOM 1013 CA ASN A 69 -7.170 -2.386 5.387 1.00 0.00 C ATOM 1014 C ASN A 69 -7.597 -1.552 4.182 1.00 0.00 C ATOM 1015 O ASN A 69 -8.650 -1.791 3.590 1.00 0.00 O ATOM 1016 CB ASN A 69 -8.024 -2.020 6.602 1.00 0.00 C ATOM 1017 CG ASN A 69 -9.486 -1.828 6.245 1.00 0.00 C ATOM 1018 OD1 ASN A 69 -10.107 -2.699 5.636 1.00 0.00 O ATOM 1019 ND2 ASN A 69 -10.042 -0.684 6.625 1.00 0.00 N ATOM 0 H ASN A 69 -5.573 -1.734 6.579 1.00 0.00 H new ATOM 0 HA ASN A 69 -7.320 -3.439 5.150 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.936 -2.804 7.354 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -7.639 -1.104 7.051 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -11.023 -0.499 6.414 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -9.489 0.010 7.128 1.00 0.00 H new ATOM 1026 N TYR A 70 -6.772 -0.574 3.825 1.00 0.00 N ATOM 1027 CA TYR A 70 -7.065 0.297 2.692 1.00 0.00 C ATOM 1028 C TYR A 70 -6.450 -0.254 1.409 1.00 0.00 C ATOM 1029 O TYR A 70 -6.612 0.321 0.332 1.00 0.00 O ATOM 1030 CB TYR A 70 -6.539 1.708 2.958 1.00 0.00 C ATOM 1031 CG TYR A 70 -7.497 2.573 3.745 1.00 0.00 C ATOM 1032 CD1 TYR A 70 -7.850 2.246 5.048 1.00 0.00 C ATOM 1033 CD2 TYR A 70 -8.049 3.719 3.185 1.00 0.00 C ATOM 1034 CE1 TYR A 70 -8.726 3.033 5.770 1.00 0.00 C ATOM 1035 CE2 TYR A 70 -8.924 4.513 3.901 1.00 0.00 C ATOM 1036 CZ TYR A 70 -9.260 4.166 5.193 1.00 0.00 C ATOM 1037 OH TYR A 70 -10.131 4.953 5.909 1.00 0.00 O ATOM 0 H TYR A 70 -5.896 -0.364 4.303 1.00 0.00 H new ATOM 0 HA TYR A 70 -8.147 0.337 2.567 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.596 1.639 3.500 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -6.324 2.192 2.005 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -7.432 1.361 5.505 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -7.790 3.993 2.173 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -8.991 2.762 6.781 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -9.343 5.401 3.451 1.00 0.00 H new ATOM 0 HH TYR A 70 -10.414 5.713 5.358 1.00 0.00 H new ATOM 1047 N VAL A 71 -5.744 -1.373 1.532 1.00 0.00 N ATOM 1048 CA VAL A 71 -5.105 -2.004 0.383 1.00 0.00 C ATOM 1049 C VAL A 71 -5.415 -3.496 0.333 1.00 0.00 C ATOM 1050 O VAL A 71 -6.051 -4.041 1.236 1.00 0.00 O ATOM 1051 CB VAL A 71 -3.578 -1.809 0.412 1.00 0.00 C ATOM 1052 CG1 VAL A 71 -3.230 -0.331 0.508 1.00 0.00 C ATOM 1053 CG2 VAL A 71 -2.964 -2.586 1.566 1.00 0.00 C ATOM 0 H VAL A 71 -5.600 -1.862 2.416 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.508 -1.522 -0.508 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.162 -2.196 -0.518 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.147 -0.213 0.527 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.637 0.195 -0.355 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.657 0.085 1.421 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.884 -2.437 1.571 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.384 -2.232 2.507 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.183 -3.647 1.448 1.00 0.00 H new ATOM 1063 N THR A 72 -4.961 -4.154 -0.729 1.00 0.00 N ATOM 1064 CA THR A 72 -5.189 -5.584 -0.898 1.00 0.00 C ATOM 1065 C THR A 72 -3.981 -6.263 -1.534 1.00 0.00 C ATOM 1066 O THR A 72 -3.462 -5.801 -2.550 1.00 0.00 O ATOM 1067 CB THR A 72 -6.432 -5.855 -1.766 1.00 0.00 C ATOM 1068 OG1 THR A 72 -6.694 -7.262 -1.821 1.00 0.00 O ATOM 1069 CG2 THR A 72 -6.237 -5.315 -3.175 1.00 0.00 C ATOM 0 H THR A 72 -4.433 -3.719 -1.486 1.00 0.00 H new ATOM 0 HA THR A 72 -5.352 -5.998 0.097 1.00 0.00 H new ATOM 0 HB THR A 72 -7.282 -5.345 -1.313 1.00 0.00 H new ATOM 0 HG1 THR A 72 -7.487 -7.426 -2.373 1.00 0.00 H new ATOM 0 HG21 THR A 72 -7.128 -5.518 -3.769 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.067 -4.239 -3.132 1.00 0.00 H new ATOM 0 HG23 THR A 72 -5.376 -5.800 -3.635 1.00 0.00 H new