USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=12 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= -0.0264 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.433 K(o=-0.43,f=-1.2) 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+ -141:sc= 0 (180deg=-0.384) 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 :FLIP no HD1:sc= -2.64 F(o=-6.2,f=-2.6) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc=-0.000983 X(o=-0.00098,f=0.054) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.0759 USER MOD Single : A 69 ASN : amide:sc= -0.0689 X(o=-0.069,f=0) 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 10.284 -5.457 -2.023 1.00 0.00 N ATOM 211 CA PRO A 17 9.007 -5.031 -1.441 1.00 0.00 C ATOM 212 C PRO A 17 7.811 -5.675 -2.134 1.00 0.00 C ATOM 213 O PRO A 17 7.970 -6.417 -3.104 1.00 0.00 O ATOM 214 CB PRO A 17 9.003 -3.516 -1.665 1.00 0.00 C ATOM 215 CG PRO A 17 9.891 -3.305 -2.843 1.00 0.00 C ATOM 216 CD PRO A 17 10.950 -4.369 -2.759 1.00 0.00 C ATOM 0 HA PRO A 17 8.919 -5.321 -0.394 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.996 -3.147 -1.857 1.00 0.00 H new ATOM 0 HB3 PRO A 17 9.375 -2.985 -0.789 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.330 -3.385 -3.774 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.335 -2.310 -2.824 1.00 0.00 H new ATOM 0 HD2 PRO A 17 11.274 -4.693 -3.748 1.00 0.00 H new ATOM 0 HD3 PRO A 17 11.837 -4.013 -2.234 1.00 0.00 H new ATOM 224 N ILE A 18 6.616 -5.386 -1.631 1.00 0.00 N ATOM 225 CA ILE A 18 5.394 -5.936 -2.204 1.00 0.00 C ATOM 226 C ILE A 18 4.580 -4.855 -2.906 1.00 0.00 C ATOM 227 O ILE A 18 4.777 -3.664 -2.668 1.00 0.00 O ATOM 228 CB ILE A 18 4.518 -6.603 -1.126 1.00 0.00 C ATOM 229 CG1 ILE A 18 5.388 -7.401 -0.152 1.00 0.00 C ATOM 230 CG2 ILE A 18 3.476 -7.503 -1.773 1.00 0.00 C ATOM 231 CD1 ILE A 18 4.622 -7.950 1.031 1.00 0.00 C ATOM 0 H ILE A 18 6.468 -4.774 -0.828 1.00 0.00 H new ATOM 0 HA ILE A 18 5.698 -6.688 -2.932 1.00 0.00 H new ATOM 0 HB ILE A 18 4.000 -5.824 -0.566 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.855 -8.228 -0.688 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.193 -6.762 0.211 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.865 -7.967 -0.999 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.840 -6.910 -2.430 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.975 -8.278 -2.354 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.301 -8.504 1.679 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.178 -7.127 1.590 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.834 -8.615 0.677 1.00 0.00 H new ATOM 243 N GLU A 19 3.665 -5.279 -3.772 1.00 0.00 N ATOM 244 CA GLU A 19 2.821 -4.346 -4.509 1.00 0.00 C ATOM 245 C GLU A 19 1.352 -4.532 -4.139 1.00 0.00 C ATOM 246 O GLU A 19 0.802 -5.626 -4.269 1.00 0.00 O ATOM 247 CB GLU A 19 3.007 -4.535 -6.015 1.00 0.00 C ATOM 248 CG GLU A 19 4.181 -3.758 -6.587 1.00 0.00 C ATOM 249 CD GLU A 19 4.274 -3.868 -8.096 1.00 0.00 C ATOM 250 OE1 GLU A 19 4.590 -4.970 -8.592 1.00 0.00 O ATOM 251 OE2 GLU A 19 4.032 -2.853 -8.782 1.00 0.00 O ATOM 0 H GLU A 19 3.489 -6.262 -3.980 1.00 0.00 H new ATOM 0 HA GLU A 19 3.121 -3.334 -4.238 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.148 -5.595 -6.225 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.095 -4.227 -6.526 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.088 -2.708 -6.308 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.106 -4.125 -6.142 1.00 0.00 H new ATOM 258 N VAL A 20 0.723 -3.456 -3.676 1.00 0.00 N ATOM 259 CA VAL A 20 -0.681 -3.500 -3.288 1.00 0.00 C ATOM 260 C VAL A 20 -1.468 -2.369 -3.941 1.00 0.00 C ATOM 261 O VAL A 20 -0.949 -1.269 -4.138 1.00 0.00 O ATOM 262 CB VAL A 20 -0.844 -3.407 -1.759 1.00 0.00 C ATOM 263 CG1 VAL A 20 -0.164 -4.584 -1.077 1.00 0.00 C ATOM 264 CG2 VAL A 20 -0.287 -2.088 -1.244 1.00 0.00 C ATOM 0 H VAL A 20 1.164 -2.544 -3.561 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.074 -4.457 -3.631 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.907 -3.445 -1.521 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.290 -4.501 0.003 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.613 -5.515 -1.424 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.899 -4.581 -1.320 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.410 -2.039 -0.162 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.772 -2.019 -1.492 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.823 -1.260 -1.708 1.00 0.00 H new ATOM 274 N THR A 21 -2.724 -2.645 -4.277 1.00 0.00 N ATOM 275 CA THR A 21 -3.583 -1.652 -4.909 1.00 0.00 C ATOM 276 C THR A 21 -4.515 -1.003 -3.891 1.00 0.00 C ATOM 277 O THR A 21 -5.294 -1.685 -3.226 1.00 0.00 O ATOM 278 CB THR A 21 -4.427 -2.275 -6.036 1.00 0.00 C ATOM 279 OG1 THR A 21 -3.581 -2.990 -6.944 1.00 0.00 O ATOM 280 CG2 THR A 21 -5.198 -1.203 -6.791 1.00 0.00 C ATOM 0 H THR A 21 -3.169 -3.549 -4.122 1.00 0.00 H new ATOM 0 HA THR A 21 -2.927 -0.892 -5.334 1.00 0.00 H new ATOM 0 HB THR A 21 -5.141 -2.965 -5.586 1.00 0.00 H new ATOM 0 HG1 THR A 21 -4.126 -3.385 -7.657 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.787 -1.667 -7.582 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.863 -0.680 -6.103 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.498 -0.492 -7.230 1.00 0.00 H new ATOM 288 N ALA A 22 -4.429 0.318 -3.776 1.00 0.00 N ATOM 289 CA ALA A 22 -5.267 1.059 -2.841 1.00 0.00 C ATOM 290 C ALA A 22 -6.746 0.879 -3.168 1.00 0.00 C ATOM 291 O ALA A 22 -7.224 1.344 -4.204 1.00 0.00 O ATOM 292 CB ALA A 22 -4.897 2.534 -2.855 1.00 0.00 C ATOM 0 H ALA A 22 -3.788 0.897 -4.318 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.092 0.662 -1.841 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.531 3.075 -2.152 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.853 2.650 -2.565 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.042 2.936 -3.858 1.00 0.00 H new ATOM 298 N LEU A 23 -7.466 0.202 -2.281 1.00 0.00 N ATOM 299 CA LEU A 23 -8.891 -0.039 -2.476 1.00 0.00 C ATOM 300 C LEU A 23 -9.687 1.255 -2.337 1.00 0.00 C ATOM 301 O LEU A 23 -10.678 1.464 -3.036 1.00 0.00 O ATOM 302 CB LEU A 23 -9.396 -1.072 -1.467 1.00 0.00 C ATOM 303 CG LEU A 23 -8.718 -2.442 -1.513 1.00 0.00 C ATOM 304 CD1 LEU A 23 -9.306 -3.364 -0.456 1.00 0.00 C ATOM 305 CD2 LEU A 23 -8.856 -3.059 -2.897 1.00 0.00 C ATOM 0 H LEU A 23 -7.086 -0.190 -1.419 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.034 -0.425 -3.485 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -9.273 -0.662 -0.465 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.465 -1.212 -1.625 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.657 -2.308 -1.300 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.811 -4.334 -0.504 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.155 -2.928 0.532 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.373 -3.492 -0.637 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.368 -4.033 -2.911 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.912 -3.179 -3.138 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.387 -2.407 -3.634 1.00 0.00 H new ATOM 317 N TYR A 24 -9.244 2.121 -1.432 1.00 0.00 N ATOM 318 CA TYR A 24 -9.915 3.395 -1.201 1.00 0.00 C ATOM 319 C TYR A 24 -8.900 4.518 -1.010 1.00 0.00 C ATOM 320 O TYR A 24 -7.711 4.268 -0.809 1.00 0.00 O ATOM 321 CB TYR A 24 -10.825 3.301 0.025 1.00 0.00 C ATOM 322 CG TYR A 24 -11.674 2.050 0.055 1.00 0.00 C ATOM 323 CD1 TYR A 24 -12.885 1.993 -0.623 1.00 0.00 C ATOM 324 CD2 TYR A 24 -11.265 0.926 0.761 1.00 0.00 C ATOM 325 CE1 TYR A 24 -13.664 0.852 -0.598 1.00 0.00 C ATOM 326 CE2 TYR A 24 -12.036 -0.219 0.790 1.00 0.00 C ATOM 327 CZ TYR A 24 -13.236 -0.251 0.109 1.00 0.00 C ATOM 328 OH TYR A 24 -14.008 -1.390 0.137 1.00 0.00 O ATOM 0 H TYR A 24 -8.424 1.964 -0.847 1.00 0.00 H new ATOM 0 HA TYR A 24 -10.521 3.622 -2.078 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -10.212 3.335 0.926 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -11.478 4.174 0.050 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -13.223 2.855 -1.179 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -10.327 0.948 1.297 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -14.604 0.825 -1.130 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -11.702 -1.085 1.342 1.00 0.00 H new ATOM 0 HH TYR A 24 -13.562 -2.074 0.679 1.00 0.00 H new ATOM 338 N SER A 25 -9.379 5.756 -1.073 1.00 0.00 N ATOM 339 CA SER A 25 -8.514 6.919 -0.911 1.00 0.00 C ATOM 340 C SER A 25 -8.099 7.088 0.548 1.00 0.00 C ATOM 341 O SER A 25 -8.753 6.573 1.455 1.00 0.00 O ATOM 342 CB SER A 25 -9.225 8.182 -1.400 1.00 0.00 C ATOM 343 OG SER A 25 -10.239 8.580 -0.493 1.00 0.00 O ATOM 0 H SER A 25 -10.361 5.980 -1.235 1.00 0.00 H new ATOM 0 HA SER A 25 -7.617 6.760 -1.510 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.501 8.988 -1.518 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.662 8.000 -2.382 1.00 0.00 H new ATOM 0 HG SER A 25 -10.677 9.390 -0.827 1.00 0.00 H new ATOM 349 N PHE A 26 -7.008 7.814 0.765 1.00 0.00 N ATOM 350 CA PHE A 26 -6.504 8.051 2.113 1.00 0.00 C ATOM 351 C PHE A 26 -5.667 9.327 2.164 1.00 0.00 C ATOM 352 O PHE A 26 -5.166 9.794 1.142 1.00 0.00 O ATOM 353 CB PHE A 26 -5.667 6.860 2.584 1.00 0.00 C ATOM 354 CG PHE A 26 -4.951 7.106 3.881 1.00 0.00 C ATOM 355 CD1 PHE A 26 -5.610 6.958 5.091 1.00 0.00 C ATOM 356 CD2 PHE A 26 -3.618 7.486 3.891 1.00 0.00 C ATOM 357 CE1 PHE A 26 -4.954 7.184 6.287 1.00 0.00 C ATOM 358 CE2 PHE A 26 -2.957 7.713 5.083 1.00 0.00 C ATOM 359 CZ PHE A 26 -3.626 7.562 6.282 1.00 0.00 C ATOM 0 H PHE A 26 -6.456 8.248 0.026 1.00 0.00 H new ATOM 0 HA PHE A 26 -7.359 8.171 2.778 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -6.316 5.991 2.696 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.935 6.614 1.815 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.649 6.662 5.100 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.090 7.606 2.957 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.479 7.065 7.223 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.918 8.008 5.077 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.111 7.739 7.215 1.00 0.00 H new ATOM 369 N GLU A 27 -5.522 9.884 3.362 1.00 0.00 N ATOM 370 CA GLU A 27 -4.747 11.106 3.547 1.00 0.00 C ATOM 371 C GLU A 27 -3.984 11.072 4.867 1.00 0.00 C ATOM 372 O GLU A 27 -4.571 11.206 5.940 1.00 0.00 O ATOM 373 CB GLU A 27 -5.666 12.329 3.507 1.00 0.00 C ATOM 374 CG GLU A 27 -5.849 12.908 2.114 1.00 0.00 C ATOM 375 CD GLU A 27 -7.106 13.748 1.993 1.00 0.00 C ATOM 376 OE1 GLU A 27 -8.177 13.282 2.432 1.00 0.00 O ATOM 377 OE2 GLU A 27 -7.017 14.873 1.458 1.00 0.00 O ATOM 0 H GLU A 27 -5.930 9.509 4.218 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.026 11.175 2.733 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.641 12.053 3.908 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.259 13.100 4.161 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.982 13.519 1.862 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.888 12.095 1.389 1.00 0.00 H new ATOM 384 N GLY A 28 -2.669 10.891 4.780 1.00 0.00 N ATOM 385 CA GLY A 28 -1.846 10.842 5.974 1.00 0.00 C ATOM 386 C GLY A 28 -2.139 11.983 6.927 1.00 0.00 C ATOM 387 O GLY A 28 -1.691 13.109 6.712 1.00 0.00 O ATOM 0 H GLY A 28 -2.160 10.777 3.904 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.010 9.894 6.486 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.795 10.872 5.688 1.00 0.00 H new ATOM 439 N GLY A 32 3.955 11.887 9.364 1.00 0.00 N ATOM 440 CA GLY A 32 4.776 10.736 9.037 1.00 0.00 C ATOM 441 C GLY A 32 3.992 9.643 8.338 1.00 0.00 C ATOM 442 O GLY A 32 4.347 8.467 8.417 1.00 0.00 O ATOM 0 HA2 GLY A 32 5.601 11.052 8.398 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.215 10.336 9.951 1.00 0.00 H new ATOM 446 N ASP A 33 2.922 10.032 7.653 1.00 0.00 N ATOM 447 CA ASP A 33 2.085 9.076 6.936 1.00 0.00 C ATOM 448 C ASP A 33 2.267 9.218 5.428 1.00 0.00 C ATOM 449 O ASP A 33 3.074 10.023 4.962 1.00 0.00 O ATOM 450 CB ASP A 33 0.614 9.277 7.306 1.00 0.00 C ATOM 451 CG ASP A 33 0.305 8.821 8.718 1.00 0.00 C ATOM 452 OD1 ASP A 33 1.210 8.890 9.575 1.00 0.00 O ATOM 453 OD2 ASP A 33 -0.842 8.393 8.966 1.00 0.00 O ATOM 0 H ASP A 33 2.614 11.002 7.579 1.00 0.00 H new ATOM 0 HA ASP A 33 2.392 8.071 7.227 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.357 10.331 7.203 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.013 8.727 6.604 1.00 0.00 H new ATOM 458 N LEU A 34 1.512 8.430 4.670 1.00 0.00 N ATOM 459 CA LEU A 34 1.591 8.466 3.214 1.00 0.00 C ATOM 460 C LEU A 34 0.239 8.824 2.604 1.00 0.00 C ATOM 461 O LEU A 34 -0.809 8.482 3.151 1.00 0.00 O ATOM 462 CB LEU A 34 2.065 7.115 2.675 1.00 0.00 C ATOM 463 CG LEU A 34 2.037 6.952 1.155 1.00 0.00 C ATOM 464 CD1 LEU A 34 3.290 7.546 0.532 1.00 0.00 C ATOM 465 CD2 LEU A 34 1.897 5.484 0.779 1.00 0.00 C ATOM 0 H LEU A 34 0.839 7.759 5.039 1.00 0.00 H new ATOM 0 HA LEU A 34 2.311 9.235 2.933 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.085 6.947 3.020 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.446 6.333 3.116 1.00 0.00 H new ATOM 0 HG LEU A 34 1.172 7.490 0.767 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.253 7.421 -0.550 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.348 8.607 0.773 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.169 7.036 0.926 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.879 5.387 -0.306 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.742 4.924 1.179 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.970 5.089 1.194 1.00 0.00 H new ATOM 477 N ASN A 35 0.272 9.512 1.468 1.00 0.00 N ATOM 478 CA ASN A 35 -0.951 9.915 0.783 1.00 0.00 C ATOM 479 C ASN A 35 -1.128 9.136 -0.517 1.00 0.00 C ATOM 480 O ASN A 35 -0.261 9.160 -1.391 1.00 0.00 O ATOM 481 CB ASN A 35 -0.927 11.417 0.492 1.00 0.00 C ATOM 482 CG ASN A 35 -1.238 12.249 1.721 1.00 0.00 C ATOM 483 OD1 ASN A 35 -2.380 12.654 1.936 1.00 0.00 O ATOM 484 ND2 ASN A 35 -0.220 12.508 2.533 1.00 0.00 N ATOM 0 H ASN A 35 1.132 9.802 1.002 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.794 9.693 1.437 1.00 0.00 H new ATOM 0 HB2 ASN A 35 0.055 11.694 0.108 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.651 11.644 -0.290 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.368 13.064 3.375 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.710 12.151 2.314 1.00 0.00 H new ATOM 491 N PHE A 36 -2.258 8.446 -0.638 1.00 0.00 N ATOM 492 CA PHE A 36 -2.549 7.660 -1.831 1.00 0.00 C ATOM 493 C PHE A 36 -4.028 7.753 -2.196 1.00 0.00 C ATOM 494 O PHE A 36 -4.829 8.307 -1.444 1.00 0.00 O ATOM 495 CB PHE A 36 -2.157 6.197 -1.612 1.00 0.00 C ATOM 496 CG PHE A 36 -2.898 5.541 -0.482 1.00 0.00 C ATOM 497 CD1 PHE A 36 -2.400 5.588 0.810 1.00 0.00 C ATOM 498 CD2 PHE A 36 -4.093 4.879 -0.712 1.00 0.00 C ATOM 499 CE1 PHE A 36 -3.080 4.984 1.851 1.00 0.00 C ATOM 500 CE2 PHE A 36 -4.778 4.274 0.325 1.00 0.00 C ATOM 501 CZ PHE A 36 -4.271 4.327 1.609 1.00 0.00 C ATOM 0 H PHE A 36 -2.986 8.416 0.075 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.963 8.066 -2.655 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.341 5.638 -2.530 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.086 6.142 -1.415 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.471 6.102 1.006 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.494 4.835 -1.714 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.680 5.026 2.853 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.708 3.761 0.132 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.804 3.856 2.422 1.00 0.00 H new ATOM 511 N GLN A 37 -4.380 7.208 -3.356 1.00 0.00 N ATOM 512 CA GLN A 37 -5.762 7.230 -3.822 1.00 0.00 C ATOM 513 C GLN A 37 -6.218 5.836 -4.238 1.00 0.00 C ATOM 514 O GLN A 37 -5.399 4.960 -4.512 1.00 0.00 O ATOM 515 CB GLN A 37 -5.911 8.201 -4.995 1.00 0.00 C ATOM 516 CG GLN A 37 -5.638 9.650 -4.624 1.00 0.00 C ATOM 517 CD GLN A 37 -5.462 10.539 -5.839 1.00 0.00 C ATOM 518 OE1 GLN A 37 -6.349 10.633 -6.688 1.00 0.00 O ATOM 519 NE2 GLN A 37 -4.313 11.199 -5.928 1.00 0.00 N ATOM 0 H GLN A 37 -3.728 6.746 -3.990 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.392 7.567 -2.999 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.228 7.904 -5.791 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.922 8.121 -5.396 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.462 10.028 -4.018 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.740 9.701 -4.008 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.605 11.091 -5.201 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.138 11.813 -6.723 1.00 0.00 H new ATOM 528 N ALA A 38 -7.532 5.638 -4.284 1.00 0.00 N ATOM 529 CA ALA A 38 -8.097 4.351 -4.669 1.00 0.00 C ATOM 530 C ALA A 38 -7.587 3.915 -6.038 1.00 0.00 C ATOM 531 O ALA A 38 -8.020 4.433 -7.067 1.00 0.00 O ATOM 532 CB ALA A 38 -9.617 4.421 -4.668 1.00 0.00 C ATOM 0 H ALA A 38 -8.224 6.353 -4.059 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.777 3.608 -3.938 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.026 3.453 -4.957 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -9.969 4.680 -3.669 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -9.947 5.181 -5.377 1.00 0.00 H new ATOM 538 N GLY A 39 -6.663 2.958 -6.043 1.00 0.00 N ATOM 539 CA GLY A 39 -6.109 2.469 -7.292 1.00 0.00 C ATOM 540 C GLY A 39 -4.603 2.626 -7.359 1.00 0.00 C ATOM 541 O GLY A 39 -3.921 1.853 -8.032 1.00 0.00 O ATOM 0 H GLY A 39 -6.289 2.513 -5.205 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.367 1.417 -7.413 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.565 3.007 -8.123 1.00 0.00 H new ATOM 545 N ASP A 40 -4.083 3.629 -6.660 1.00 0.00 N ATOM 546 CA ASP A 40 -2.647 3.886 -6.643 1.00 0.00 C ATOM 547 C ASP A 40 -1.892 2.707 -6.037 1.00 0.00 C ATOM 548 O ASP A 40 -2.209 2.253 -4.938 1.00 0.00 O ATOM 549 CB ASP A 40 -2.345 5.161 -5.855 1.00 0.00 C ATOM 550 CG ASP A 40 -2.355 6.399 -6.730 1.00 0.00 C ATOM 551 OD1 ASP A 40 -1.459 6.524 -7.591 1.00 0.00 O ATOM 552 OD2 ASP A 40 -3.259 7.242 -6.554 1.00 0.00 O ATOM 0 H ASP A 40 -4.634 4.277 -6.098 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.314 4.018 -7.672 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.081 5.276 -5.060 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.371 5.066 -5.376 1.00 0.00 H new ATOM 557 N ARG A 41 -0.893 2.215 -6.763 1.00 0.00 N ATOM 558 CA ARG A 41 -0.094 1.088 -6.298 1.00 0.00 C ATOM 559 C ARG A 41 0.972 1.548 -5.308 1.00 0.00 C ATOM 560 O ARG A 41 1.757 2.450 -5.601 1.00 0.00 O ATOM 561 CB ARG A 41 0.567 0.380 -7.482 1.00 0.00 C ATOM 562 CG ARG A 41 -0.357 -0.584 -8.208 1.00 0.00 C ATOM 563 CD ARG A 41 -0.278 -1.983 -7.617 1.00 0.00 C ATOM 564 NE ARG A 41 0.749 -2.794 -8.266 1.00 0.00 N ATOM 565 CZ ARG A 41 0.578 -3.396 -9.438 1.00 0.00 C ATOM 566 NH1 ARG A 41 -0.573 -3.279 -10.085 1.00 0.00 N ATOM 567 NH2 ARG A 41 1.560 -4.117 -9.964 1.00 0.00 N ATOM 0 H ARG A 41 -0.618 2.579 -7.675 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.759 0.389 -5.791 1.00 0.00 H new ATOM 0 HB2 ARG A 41 0.925 1.129 -8.189 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.441 -0.166 -7.126 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.383 -0.220 -8.149 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.091 -0.619 -9.265 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.065 -1.914 -6.550 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.246 -2.474 -7.718 1.00 0.00 H new ATOM 0 HE ARG A 41 1.646 -2.904 -7.794 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.330 -2.726 -9.683 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.702 -3.742 -10.985 1.00 0.00 H new ATOM 0 HH21 ARG A 41 2.447 -4.209 -9.469 1.00 0.00 H new ATOM 0 HH22 ARG A 41 1.428 -4.579 -10.864 1.00 0.00 H new ATOM 581 N ILE A 42 0.993 0.923 -4.135 1.00 0.00 N ATOM 582 CA ILE A 42 1.962 1.269 -3.103 1.00 0.00 C ATOM 583 C ILE A 42 2.979 0.149 -2.907 1.00 0.00 C ATOM 584 O ILE A 42 2.616 -0.991 -2.614 1.00 0.00 O ATOM 585 CB ILE A 42 1.271 1.562 -1.758 1.00 0.00 C ATOM 586 CG1 ILE A 42 0.234 2.674 -1.923 1.00 0.00 C ATOM 587 CG2 ILE A 42 2.302 1.943 -0.705 1.00 0.00 C ATOM 588 CD1 ILE A 42 -0.936 2.556 -0.972 1.00 0.00 C ATOM 0 H ILE A 42 0.350 0.175 -3.876 1.00 0.00 H new ATOM 0 HA ILE A 42 2.476 2.169 -3.441 1.00 0.00 H new ATOM 0 HB ILE A 42 0.757 0.660 -1.426 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.720 3.638 -1.771 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.138 2.663 -2.947 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.799 2.147 0.240 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.006 1.122 -0.571 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.841 2.833 -1.029 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.631 3.378 -1.146 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.447 1.608 -1.139 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.575 2.598 0.056 1.00 0.00 H new ATOM 600 N THR A 43 4.256 0.482 -3.068 1.00 0.00 N ATOM 601 CA THR A 43 5.326 -0.495 -2.909 1.00 0.00 C ATOM 602 C THR A 43 5.639 -0.731 -1.436 1.00 0.00 C ATOM 603 O THR A 43 6.384 0.031 -0.819 1.00 0.00 O ATOM 604 CB THR A 43 6.610 -0.043 -3.629 1.00 0.00 C ATOM 605 OG1 THR A 43 6.309 0.333 -4.978 1.00 0.00 O ATOM 606 CG2 THR A 43 7.651 -1.153 -3.627 1.00 0.00 C ATOM 0 H THR A 43 4.574 1.421 -3.308 1.00 0.00 H new ATOM 0 HA THR A 43 4.975 -1.425 -3.357 1.00 0.00 H new ATOM 0 HB THR A 43 7.016 0.816 -3.095 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.130 0.621 -5.428 1.00 0.00 H new ATOM 0 HG21 THR A 43 8.549 -0.811 -4.141 1.00 0.00 H new ATOM 0 HG22 THR A 43 7.900 -1.417 -2.599 1.00 0.00 H new ATOM 0 HG23 THR A 43 7.251 -2.028 -4.139 1.00 0.00 H new ATOM 614 N VAL A 44 5.066 -1.792 -0.876 1.00 0.00 N ATOM 615 CA VAL A 44 5.286 -2.130 0.525 1.00 0.00 C ATOM 616 C VAL A 44 6.752 -2.457 0.788 1.00 0.00 C ATOM 617 O VAL A 44 7.272 -3.460 0.298 1.00 0.00 O ATOM 618 CB VAL A 44 4.419 -3.327 0.956 1.00 0.00 C ATOM 619 CG1 VAL A 44 4.620 -3.628 2.434 1.00 0.00 C ATOM 620 CG2 VAL A 44 2.953 -3.059 0.653 1.00 0.00 C ATOM 0 H VAL A 44 4.446 -2.432 -1.372 1.00 0.00 H new ATOM 0 HA VAL A 44 5.001 -1.255 1.110 1.00 0.00 H new ATOM 0 HB VAL A 44 4.730 -4.202 0.386 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.999 -4.477 2.720 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.668 -3.866 2.618 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.337 -2.756 3.025 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.355 -3.915 0.964 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.626 -2.172 1.195 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.826 -2.898 -0.418 1.00 0.00 H new ATOM 630 N ILE A 45 7.413 -1.605 1.564 1.00 0.00 N ATOM 631 CA ILE A 45 8.818 -1.804 1.893 1.00 0.00 C ATOM 632 C ILE A 45 8.974 -2.481 3.251 1.00 0.00 C ATOM 633 O ILE A 45 9.860 -3.315 3.442 1.00 0.00 O ATOM 634 CB ILE A 45 9.589 -0.471 1.906 1.00 0.00 C ATOM 635 CG1 ILE A 45 8.725 0.637 2.513 1.00 0.00 C ATOM 636 CG2 ILE A 45 10.024 -0.097 0.496 1.00 0.00 C ATOM 637 CD1 ILE A 45 9.480 1.922 2.766 1.00 0.00 C ATOM 0 H ILE A 45 6.997 -0.770 1.977 1.00 0.00 H new ATOM 0 HA ILE A 45 9.235 -2.447 1.118 1.00 0.00 H new ATOM 0 HB ILE A 45 10.481 -0.590 2.522 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.889 0.842 1.844 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.302 0.283 3.453 1.00 0.00 H new ATOM 0 HG21 ILE A 45 10.568 0.847 0.521 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.671 -0.878 0.096 1.00 0.00 H new ATOM 0 HG23 ILE A 45 9.145 0.007 -0.140 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.805 2.662 3.196 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.300 1.732 3.459 1.00 0.00 H new ATOM 0 HD13 ILE A 45 9.880 2.300 1.825 1.00 0.00 H new ATOM 649 N SER A 46 8.107 -2.118 4.190 1.00 0.00 N ATOM 650 CA SER A 46 8.149 -2.688 5.531 1.00 0.00 C ATOM 651 C SER A 46 6.740 -2.889 6.081 1.00 0.00 C ATOM 652 O SER A 46 6.037 -1.925 6.387 1.00 0.00 O ATOM 653 CB SER A 46 8.950 -1.783 6.469 1.00 0.00 C ATOM 654 OG SER A 46 9.520 -2.527 7.532 1.00 0.00 O ATOM 0 H SER A 46 7.366 -1.431 4.047 1.00 0.00 H new ATOM 0 HA SER A 46 8.639 -3.660 5.470 1.00 0.00 H new ATOM 0 HB2 SER A 46 9.739 -1.280 5.909 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.301 -1.006 6.872 1.00 0.00 H new ATOM 0 HG SER A 46 10.028 -1.926 8.116 1.00 0.00 H new ATOM 660 N LYS A 47 6.333 -4.147 6.204 1.00 0.00 N ATOM 661 CA LYS A 47 5.009 -4.477 6.718 1.00 0.00 C ATOM 662 C LYS A 47 5.102 -5.496 7.849 1.00 0.00 C ATOM 663 O LYS A 47 6.193 -5.937 8.214 1.00 0.00 O ATOM 664 CB LYS A 47 4.126 -5.026 5.595 1.00 0.00 C ATOM 665 CG LYS A 47 4.388 -6.487 5.274 1.00 0.00 C ATOM 666 CD LYS A 47 3.283 -7.076 4.413 1.00 0.00 C ATOM 667 CE LYS A 47 3.121 -8.568 4.657 1.00 0.00 C ATOM 668 NZ LYS A 47 4.388 -9.311 4.411 1.00 0.00 N ATOM 0 H LYS A 47 6.902 -4.956 5.954 1.00 0.00 H new ATOM 0 HA LYS A 47 4.562 -3.564 7.111 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.080 -4.906 5.876 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.285 -4.431 4.696 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.343 -6.581 4.757 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.470 -7.055 6.201 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.343 -6.567 4.627 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.508 -6.901 3.361 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.796 -8.735 5.684 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.338 -8.959 4.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.175 -10.216 3.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.009 -8.745 3.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.866 -9.492 5.317 1.00 0.00 H new ATOM 682 N THR A 48 3.952 -5.868 8.402 1.00 0.00 N ATOM 683 CA THR A 48 3.904 -6.835 9.491 1.00 0.00 C ATOM 684 C THR A 48 2.970 -7.993 9.158 1.00 0.00 C ATOM 685 O THR A 48 2.384 -8.038 8.076 1.00 0.00 O ATOM 686 CB THR A 48 3.440 -6.178 10.805 1.00 0.00 C ATOM 687 OG1 THR A 48 2.095 -5.705 10.668 1.00 0.00 O ATOM 688 CG2 THR A 48 4.354 -5.023 11.184 1.00 0.00 C ATOM 0 H THR A 48 3.040 -5.514 8.113 1.00 0.00 H new ATOM 0 HA THR A 48 4.917 -7.215 9.621 1.00 0.00 H new ATOM 0 HB THR A 48 3.482 -6.927 11.595 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.807 -5.290 11.508 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.007 -4.575 12.115 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.371 -5.392 11.316 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.340 -4.273 10.393 1.00 0.00 H new ATOM 696 N ASP A 49 2.837 -8.927 10.093 1.00 0.00 N ATOM 697 CA ASP A 49 1.972 -10.085 9.899 1.00 0.00 C ATOM 698 C ASP A 49 0.506 -9.667 9.856 1.00 0.00 C ATOM 699 O ASP A 49 -0.173 -9.849 8.845 1.00 0.00 O ATOM 700 CB ASP A 49 2.193 -11.106 11.017 1.00 0.00 C ATOM 701 CG ASP A 49 2.350 -10.452 12.375 1.00 0.00 C ATOM 702 OD1 ASP A 49 3.452 -9.940 12.663 1.00 0.00 O ATOM 703 OD2 ASP A 49 1.371 -10.452 13.151 1.00 0.00 O ATOM 0 H ASP A 49 3.317 -8.905 10.993 1.00 0.00 H new ATOM 0 HA ASP A 49 2.228 -10.543 8.944 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.351 -11.798 11.045 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.083 -11.696 10.796 1.00 0.00 H new ATOM 708 N SER A 50 0.023 -9.108 10.961 1.00 0.00 N ATOM 709 CA SER A 50 -1.365 -8.669 11.052 1.00 0.00 C ATOM 710 C SER A 50 -1.683 -7.645 9.967 1.00 0.00 C ATOM 711 O SER A 50 -0.851 -6.802 9.630 1.00 0.00 O ATOM 712 CB SER A 50 -1.643 -8.070 12.432 1.00 0.00 C ATOM 713 OG SER A 50 -3.036 -8.004 12.688 1.00 0.00 O ATOM 0 H SER A 50 0.572 -8.948 11.806 1.00 0.00 H new ATOM 0 HA SER A 50 -2.006 -9.539 10.905 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.157 -8.674 13.199 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.211 -7.071 12.492 1.00 0.00 H new ATOM 0 HG SER A 50 -3.187 -7.619 13.577 1.00 0.00 H new ATOM 719 N HIS A 51 -2.893 -7.725 9.423 1.00 0.00 N ATOM 720 CA HIS A 51 -3.323 -6.804 8.376 1.00 0.00 C ATOM 721 C HIS A 51 -3.816 -5.491 8.976 1.00 0.00 C ATOM 722 O HIS A 51 -3.311 -4.418 8.645 1.00 0.00 O ATOM 723 CB HIS A 51 -4.428 -7.440 7.532 1.00 0.00 C ATOM 724 CG HIS A 51 -5.566 -7.980 8.343 1.00 0.00 C ATOM 725 ND1 HIS A 51 -5.690 -9.137 9.033 1.00 0.00 N flip ATOM 726 CD2 HIS A 51 -6.757 -7.305 8.511 1.00 0.00 C flip ATOM 727 CE1 HIS A 51 -6.941 -9.141 9.600 1.00 0.00 C flip ATOM 728 NE2 HIS A 51 -7.564 -8.024 9.270 1.00 0.00 N flip ATOM 0 H HIS A 51 -3.593 -8.417 9.689 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.465 -6.591 7.738 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -4.812 -6.698 6.832 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -4.001 -8.248 6.938 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -6.993 -6.340 8.088 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -7.349 -9.929 10.215 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -8.508 -7.761 9.553 1.00 0.00 H new ATOM 737 N PHE A 52 -4.805 -5.583 9.859 1.00 0.00 N ATOM 738 CA PHE A 52 -5.368 -4.402 10.503 1.00 0.00 C ATOM 739 C PHE A 52 -4.280 -3.374 10.798 1.00 0.00 C ATOM 740 O PHE A 52 -4.477 -2.173 10.609 1.00 0.00 O ATOM 741 CB PHE A 52 -6.081 -4.793 11.799 1.00 0.00 C ATOM 742 CG PHE A 52 -7.467 -5.330 11.582 1.00 0.00 C ATOM 743 CD1 PHE A 52 -8.440 -4.549 10.981 1.00 0.00 C ATOM 744 CD2 PHE A 52 -7.796 -6.616 11.979 1.00 0.00 C ATOM 745 CE1 PHE A 52 -9.716 -5.040 10.780 1.00 0.00 C ATOM 746 CE2 PHE A 52 -9.070 -7.113 11.781 1.00 0.00 C ATOM 747 CZ PHE A 52 -10.031 -6.325 11.180 1.00 0.00 C ATOM 0 H PHE A 52 -5.233 -6.464 10.145 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.090 -3.955 9.820 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.486 -5.544 12.319 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.136 -3.922 12.451 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -8.199 -3.545 10.666 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.048 -7.237 12.449 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -10.466 -4.421 10.311 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -9.314 -8.117 12.096 1.00 0.00 H new ATOM 0 HZ PHE A 52 -11.027 -6.712 11.023 1.00 0.00 H new ATOM 757 N ASP A 53 -3.131 -3.853 11.264 1.00 0.00 N ATOM 758 CA ASP A 53 -2.011 -2.977 11.585 1.00 0.00 C ATOM 759 C ASP A 53 -1.628 -2.121 10.382 1.00 0.00 C ATOM 760 O ASP A 53 -2.040 -2.397 9.255 1.00 0.00 O ATOM 761 CB ASP A 53 -0.807 -3.801 12.044 1.00 0.00 C ATOM 762 CG ASP A 53 -0.978 -4.343 13.450 1.00 0.00 C ATOM 763 OD1 ASP A 53 -1.759 -3.750 14.223 1.00 0.00 O ATOM 764 OD2 ASP A 53 -0.330 -5.359 13.778 1.00 0.00 O ATOM 0 H ASP A 53 -2.952 -4.844 11.428 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.319 -2.316 12.395 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.654 -4.631 11.354 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.090 -3.183 12.003 1.00 0.00 H new ATOM 769 N TRP A 54 -0.840 -1.081 10.630 1.00 0.00 N ATOM 770 CA TRP A 54 -0.402 -0.184 9.566 1.00 0.00 C ATOM 771 C TRP A 54 0.938 -0.631 8.994 1.00 0.00 C ATOM 772 O TRP A 54 1.832 -1.043 9.732 1.00 0.00 O ATOM 773 CB TRP A 54 -0.294 1.249 10.092 1.00 0.00 C ATOM 774 CG TRP A 54 -1.624 1.918 10.270 1.00 0.00 C ATOM 775 CD1 TRP A 54 -2.723 1.404 10.897 1.00 0.00 C ATOM 776 CD2 TRP A 54 -1.993 3.224 9.815 1.00 0.00 C ATOM 777 NE1 TRP A 54 -3.754 2.311 10.858 1.00 0.00 N ATOM 778 CE2 TRP A 54 -3.331 3.437 10.201 1.00 0.00 C ATOM 779 CE3 TRP A 54 -1.323 4.236 9.122 1.00 0.00 C ATOM 780 CZ2 TRP A 54 -4.009 4.618 9.914 1.00 0.00 C ATOM 781 CZ3 TRP A 54 -1.998 5.408 8.837 1.00 0.00 C ATOM 782 CH2 TRP A 54 -3.330 5.591 9.234 1.00 0.00 C ATOM 0 H TRP A 54 -0.491 -0.838 11.557 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.144 -0.216 8.769 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.231 1.239 11.047 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.311 1.837 9.402 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.774 0.428 11.356 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -4.683 2.169 11.254 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.296 4.105 8.815 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -5.036 4.761 10.218 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -1.491 6.196 8.300 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -3.830 6.519 8.998 1.00 0.00 H new ATOM 793 N TRP A 55 1.071 -0.545 7.675 1.00 0.00 N ATOM 794 CA TRP A 55 2.304 -0.941 7.004 1.00 0.00 C ATOM 795 C TRP A 55 3.023 0.272 6.426 1.00 0.00 C ATOM 796 O TRP A 55 2.479 1.376 6.407 1.00 0.00 O ATOM 797 CB TRP A 55 2.003 -1.949 5.893 1.00 0.00 C ATOM 798 CG TRP A 55 1.438 -3.241 6.400 1.00 0.00 C ATOM 799 CD1 TRP A 55 1.447 -3.689 7.690 1.00 0.00 C ATOM 800 CD2 TRP A 55 0.784 -4.253 5.626 1.00 0.00 C ATOM 801 NE1 TRP A 55 0.837 -4.919 7.765 1.00 0.00 N ATOM 802 CE2 TRP A 55 0.421 -5.286 6.512 1.00 0.00 C ATOM 803 CE3 TRP A 55 0.468 -4.386 4.271 1.00 0.00 C ATOM 804 CZ2 TRP A 55 -0.240 -6.435 6.085 1.00 0.00 C ATOM 805 CZ3 TRP A 55 -0.188 -5.527 3.849 1.00 0.00 C ATOM 806 CH2 TRP A 55 -0.537 -6.538 4.754 1.00 0.00 C ATOM 0 H TRP A 55 0.341 -0.205 7.049 1.00 0.00 H new ATOM 0 HA TRP A 55 2.956 -1.408 7.742 1.00 0.00 H new ATOM 0 HB2 TRP A 55 1.299 -1.504 5.190 1.00 0.00 H new ATOM 0 HB3 TRP A 55 2.920 -2.154 5.340 1.00 0.00 H new ATOM 0 HD1 TRP A 55 1.871 -3.156 8.528 1.00 0.00 H new ATOM 0 HE1 TRP A 55 0.714 -5.469 8.615 1.00 0.00 H new ATOM 0 HE3 TRP A 55 0.732 -3.611 3.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -0.508 -7.217 6.780 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -0.436 -5.641 2.804 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -1.051 -7.417 4.393 1.00 0.00 H new ATOM 817 N GLU A 56 4.248 0.060 5.955 1.00 0.00 N ATOM 818 CA GLU A 56 5.040 1.139 5.376 1.00 0.00 C ATOM 819 C GLU A 56 5.376 0.845 3.917 1.00 0.00 C ATOM 820 O GLU A 56 6.135 -0.075 3.616 1.00 0.00 O ATOM 821 CB GLU A 56 6.328 1.341 6.177 1.00 0.00 C ATOM 822 CG GLU A 56 7.131 2.556 5.743 1.00 0.00 C ATOM 823 CD GLU A 56 8.432 2.700 6.508 1.00 0.00 C ATOM 824 OE1 GLU A 56 9.071 1.666 6.793 1.00 0.00 O ATOM 825 OE2 GLU A 56 8.812 3.848 6.821 1.00 0.00 O ATOM 0 H GLU A 56 4.713 -0.848 5.963 1.00 0.00 H new ATOM 0 HA GLU A 56 4.448 2.053 5.417 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.077 1.440 7.233 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.950 0.451 6.079 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.347 2.482 4.677 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.529 3.454 5.885 1.00 0.00 H new ATOM 832 N GLY A 57 4.803 1.635 3.014 1.00 0.00 N ATOM 833 CA GLY A 57 5.053 1.444 1.597 1.00 0.00 C ATOM 834 C GLY A 57 5.558 2.704 0.922 1.00 0.00 C ATOM 835 O GLY A 57 5.768 3.726 1.575 1.00 0.00 O ATOM 0 H GLY A 57 4.171 2.403 3.238 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.784 0.647 1.465 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.134 1.118 1.110 1.00 0.00 H new ATOM 839 N LYS A 58 5.756 2.632 -0.390 1.00 0.00 N ATOM 840 CA LYS A 58 6.241 3.774 -1.155 1.00 0.00 C ATOM 841 C LYS A 58 5.329 4.059 -2.344 1.00 0.00 C ATOM 842 O LYS A 58 4.880 3.139 -3.029 1.00 0.00 O ATOM 843 CB LYS A 58 7.669 3.519 -1.643 1.00 0.00 C ATOM 844 CG LYS A 58 8.736 3.956 -0.655 1.00 0.00 C ATOM 845 CD LYS A 58 9.985 3.097 -0.767 1.00 0.00 C ATOM 846 CE LYS A 58 10.878 3.558 -1.908 1.00 0.00 C ATOM 847 NZ LYS A 58 12.308 3.219 -1.664 1.00 0.00 N ATOM 0 H LYS A 58 5.588 1.794 -0.946 1.00 0.00 H new ATOM 0 HA LYS A 58 6.238 4.645 -0.500 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.789 2.455 -1.848 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.821 4.045 -2.586 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.994 5.000 -0.834 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.341 3.895 0.359 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.540 3.137 0.170 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.700 2.057 -0.924 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.548 3.094 -2.838 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.777 4.636 -2.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.885 3.550 -2.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.630 3.682 -0.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.409 2.188 -1.567 1.00 0.00 H new ATOM 861 N LEU A 59 5.060 5.337 -2.585 1.00 0.00 N ATOM 862 CA LEU A 59 4.203 5.743 -3.694 1.00 0.00 C ATOM 863 C LEU A 59 4.720 7.024 -4.341 1.00 0.00 C ATOM 864 O LEU A 59 4.962 8.021 -3.660 1.00 0.00 O ATOM 865 CB LEU A 59 2.768 5.948 -3.206 1.00 0.00 C ATOM 866 CG LEU A 59 1.890 6.859 -4.065 1.00 0.00 C ATOM 867 CD1 LEU A 59 1.367 6.106 -5.278 1.00 0.00 C ATOM 868 CD2 LEU A 59 0.737 7.418 -3.244 1.00 0.00 C ATOM 0 H LEU A 59 5.423 6.110 -2.028 1.00 0.00 H new ATOM 0 HA LEU A 59 4.217 4.949 -4.441 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.286 4.973 -3.137 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.804 6.358 -2.197 1.00 0.00 H new ATOM 0 HG LEU A 59 2.498 7.693 -4.415 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.744 6.770 -5.878 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.206 5.755 -5.878 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.775 5.252 -4.949 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.123 8.064 -3.872 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.129 6.597 -2.864 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.132 7.994 -2.407 1.00 0.00 H new ATOM 880 N ARG A 60 4.884 6.990 -5.659 1.00 0.00 N ATOM 881 CA ARG A 60 5.371 8.149 -6.398 1.00 0.00 C ATOM 882 C ARG A 60 6.551 8.796 -5.679 1.00 0.00 C ATOM 883 O ARG A 60 6.536 9.993 -5.394 1.00 0.00 O ATOM 884 CB ARG A 60 4.248 9.172 -6.582 1.00 0.00 C ATOM 885 CG ARG A 60 2.947 8.565 -7.082 1.00 0.00 C ATOM 886 CD ARG A 60 3.112 7.958 -8.466 1.00 0.00 C ATOM 887 NE ARG A 60 2.834 8.925 -9.525 1.00 0.00 N ATOM 888 CZ ARG A 60 1.621 9.400 -9.786 1.00 0.00 C ATOM 889 NH1 ARG A 60 0.580 9.000 -9.070 1.00 0.00 N ATOM 890 NH2 ARG A 60 1.449 10.278 -10.766 1.00 0.00 N ATOM 0 H ARG A 60 4.687 6.173 -6.237 1.00 0.00 H new ATOM 0 HA ARG A 60 5.707 7.809 -7.377 1.00 0.00 H new ATOM 0 HB2 ARG A 60 4.064 9.672 -5.631 1.00 0.00 H new ATOM 0 HB3 ARG A 60 4.576 9.937 -7.286 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.610 7.798 -6.385 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.173 9.332 -7.110 1.00 0.00 H new ATOM 0 HD2 ARG A 60 4.129 7.581 -8.577 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.442 7.104 -8.570 1.00 0.00 H new ATOM 0 HE ARG A 60 3.613 9.253 -10.095 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.709 8.325 -8.316 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.350 9.367 -9.273 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.248 10.588 -11.319 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.518 10.643 -10.966 1.00 0.00 H new ATOM 904 N GLY A 61 7.572 7.995 -5.389 1.00 0.00 N ATOM 905 CA GLY A 61 8.745 8.508 -4.706 1.00 0.00 C ATOM 906 C GLY A 61 8.419 9.071 -3.337 1.00 0.00 C ATOM 907 O GLY A 61 8.922 10.128 -2.958 1.00 0.00 O ATOM 0 H GLY A 61 7.608 7.001 -5.615 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.479 7.709 -4.601 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.205 9.286 -5.315 1.00 0.00 H new ATOM 911 N GLN A 62 7.574 8.363 -2.594 1.00 0.00 N ATOM 912 CA GLN A 62 7.179 8.801 -1.260 1.00 0.00 C ATOM 913 C GLN A 62 7.266 7.651 -0.262 1.00 0.00 C ATOM 914 O GLN A 62 7.404 6.489 -0.647 1.00 0.00 O ATOM 915 CB GLN A 62 5.757 9.364 -1.285 1.00 0.00 C ATOM 916 CG GLN A 62 5.568 10.495 -2.283 1.00 0.00 C ATOM 917 CD GLN A 62 4.147 11.021 -2.306 1.00 0.00 C ATOM 918 OE1 GLN A 62 3.195 10.263 -2.500 1.00 0.00 O ATOM 919 NE2 GLN A 62 3.994 12.325 -2.109 1.00 0.00 N ATOM 0 H GLN A 62 7.150 7.485 -2.893 1.00 0.00 H new ATOM 0 HA GLN A 62 7.867 9.585 -0.944 1.00 0.00 H new ATOM 0 HB2 GLN A 62 5.061 8.560 -1.524 1.00 0.00 H new ATOM 0 HB3 GLN A 62 5.500 9.723 -0.289 1.00 0.00 H new ATOM 0 HG2 GLN A 62 6.249 11.310 -2.036 1.00 0.00 H new ATOM 0 HG3 GLN A 62 5.838 10.144 -3.279 1.00 0.00 H new ATOM 0 HE21 GLN A 62 4.810 12.916 -1.952 1.00 0.00 H new ATOM 0 HE22 GLN A 62 3.060 12.736 -2.115 1.00 0.00 H new ATOM 928 N THR A 63 7.186 7.982 1.023 1.00 0.00 N ATOM 929 CA THR A 63 7.256 6.977 2.077 1.00 0.00 C ATOM 930 C THR A 63 6.389 7.368 3.268 1.00 0.00 C ATOM 931 O THR A 63 6.377 8.525 3.687 1.00 0.00 O ATOM 932 CB THR A 63 8.705 6.769 2.557 1.00 0.00 C ATOM 933 OG1 THR A 63 9.608 6.878 1.452 1.00 0.00 O ATOM 934 CG2 THR A 63 8.866 5.407 3.217 1.00 0.00 C ATOM 0 H THR A 63 7.073 8.938 1.359 1.00 0.00 H new ATOM 0 HA THR A 63 6.884 6.045 1.652 1.00 0.00 H new ATOM 0 HB THR A 63 8.935 7.541 3.291 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.527 6.746 1.766 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.897 5.283 3.548 1.00 0.00 H new ATOM 0 HG22 THR A 63 8.198 5.338 4.076 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.618 4.624 2.501 1.00 0.00 H new ATOM 942 N GLY A 64 5.665 6.395 3.812 1.00 0.00 N ATOM 943 CA GLY A 64 4.805 6.657 4.951 1.00 0.00 C ATOM 944 C GLY A 64 4.054 5.422 5.407 1.00 0.00 C ATOM 945 O GLY A 64 4.120 4.374 4.764 1.00 0.00 O ATOM 0 H GLY A 64 5.659 5.429 3.484 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.406 7.038 5.776 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.090 7.438 4.691 1.00 0.00 H new ATOM 949 N ILE A 65 3.340 5.544 6.521 1.00 0.00 N ATOM 950 CA ILE A 65 2.575 4.428 7.063 1.00 0.00 C ATOM 951 C ILE A 65 1.100 4.542 6.694 1.00 0.00 C ATOM 952 O ILE A 65 0.560 5.643 6.580 1.00 0.00 O ATOM 953 CB ILE A 65 2.704 4.349 8.596 1.00 0.00 C ATOM 954 CG1 ILE A 65 2.248 5.661 9.237 1.00 0.00 C ATOM 955 CG2 ILE A 65 4.138 4.030 8.991 1.00 0.00 C ATOM 956 CD1 ILE A 65 1.663 5.487 10.621 1.00 0.00 C ATOM 0 H ILE A 65 3.275 6.404 7.066 1.00 0.00 H new ATOM 0 HA ILE A 65 2.988 3.520 6.624 1.00 0.00 H new ATOM 0 HB ILE A 65 2.061 3.547 8.959 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.097 6.342 9.293 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.504 6.131 8.594 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.213 3.978 10.077 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.429 3.072 8.560 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.800 4.812 8.619 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.362 6.458 11.013 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.794 4.831 10.569 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.411 5.046 11.280 1.00 0.00 H new ATOM 968 N PHE A 66 0.452 3.396 6.509 1.00 0.00 N ATOM 969 CA PHE A 66 -0.962 3.367 6.153 1.00 0.00 C ATOM 970 C PHE A 66 -1.592 2.031 6.538 1.00 0.00 C ATOM 971 O PHE A 66 -0.927 0.998 6.601 1.00 0.00 O ATOM 972 CB PHE A 66 -1.138 3.613 4.653 1.00 0.00 C ATOM 973 CG PHE A 66 -0.586 2.510 3.796 1.00 0.00 C ATOM 974 CD1 PHE A 66 -1.370 1.418 3.459 1.00 0.00 C ATOM 975 CD2 PHE A 66 0.717 2.564 3.329 1.00 0.00 C ATOM 976 CE1 PHE A 66 -0.865 0.402 2.670 1.00 0.00 C ATOM 977 CE2 PHE A 66 1.227 1.550 2.539 1.00 0.00 C ATOM 978 CZ PHE A 66 0.436 0.467 2.211 1.00 0.00 C ATOM 0 H PHE A 66 0.883 2.476 6.600 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.466 4.160 6.705 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.199 3.735 4.435 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.648 4.549 4.386 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.387 1.360 3.817 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.341 3.407 3.585 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.487 -0.442 2.412 1.00 0.00 H new ATOM 0 HE2 PHE A 66 2.244 1.605 2.179 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.834 -0.327 1.597 1.00 0.00 H new ATOM 988 N PRO A 67 -2.907 2.053 6.803 1.00 0.00 N ATOM 989 CA PRO A 67 -3.656 0.853 7.187 1.00 0.00 C ATOM 990 C PRO A 67 -3.806 -0.131 6.032 1.00 0.00 C ATOM 991 O PRO A 67 -4.353 0.207 4.983 1.00 0.00 O ATOM 992 CB PRO A 67 -5.023 1.405 7.599 1.00 0.00 C ATOM 993 CG PRO A 67 -5.154 2.688 6.853 1.00 0.00 C ATOM 994 CD PRO A 67 -3.763 3.250 6.749 1.00 0.00 C ATOM 0 HA PRO A 67 -3.152 0.293 7.974 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.824 0.713 7.340 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -5.077 1.566 8.676 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -5.583 2.523 5.865 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.816 3.378 7.377 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.622 3.804 5.821 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.545 3.937 7.566 1.00 0.00 H new ATOM 1002 N ALA A 68 -3.315 -1.350 6.232 1.00 0.00 N ATOM 1003 CA ALA A 68 -3.397 -2.384 5.207 1.00 0.00 C ATOM 1004 C ALA A 68 -4.845 -2.655 4.815 1.00 0.00 C ATOM 1005 O ALA A 68 -5.117 -3.194 3.743 1.00 0.00 O ATOM 1006 CB ALA A 68 -2.731 -3.663 5.694 1.00 0.00 C ATOM 0 H ALA A 68 -2.857 -1.646 7.094 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.870 -2.027 4.322 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.799 -4.427 4.919 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.683 -3.465 5.917 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.233 -4.014 6.595 1.00 0.00 H new ATOM 1012 N ASN A 69 -5.771 -2.279 5.691 1.00 0.00 N ATOM 1013 CA ASN A 69 -7.192 -2.483 5.436 1.00 0.00 C ATOM 1014 C ASN A 69 -7.676 -1.584 4.303 1.00 0.00 C ATOM 1015 O ASN A 69 -8.784 -1.753 3.792 1.00 0.00 O ATOM 1016 CB ASN A 69 -8.004 -2.207 6.704 1.00 0.00 C ATOM 1017 CG ASN A 69 -9.304 -2.987 6.739 1.00 0.00 C ATOM 1018 OD1 ASN A 69 -9.406 -4.017 7.405 1.00 0.00 O ATOM 1019 ND2 ASN A 69 -10.307 -2.498 6.018 1.00 0.00 N ATOM 0 H ASN A 69 -5.563 -1.831 6.584 1.00 0.00 H new ATOM 0 HA ASN A 69 -7.337 -3.522 5.139 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.406 -2.464 7.578 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -8.221 -1.141 6.768 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -11.206 -2.980 6.002 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -10.178 -1.641 5.481 1.00 0.00 H new ATOM 1026 N TYR A 70 -6.839 -0.628 3.915 1.00 0.00 N ATOM 1027 CA TYR A 70 -7.182 0.300 2.844 1.00 0.00 C ATOM 1028 C TYR A 70 -6.607 -0.171 1.511 1.00 0.00 C ATOM 1029 O TYR A 70 -6.825 0.453 0.473 1.00 0.00 O ATOM 1030 CB TYR A 70 -6.664 1.701 3.169 1.00 0.00 C ATOM 1031 CG TYR A 70 -7.641 2.539 3.963 1.00 0.00 C ATOM 1032 CD1 TYR A 70 -8.136 2.095 5.183 1.00 0.00 C ATOM 1033 CD2 TYR A 70 -8.068 3.775 3.493 1.00 0.00 C ATOM 1034 CE1 TYR A 70 -9.029 2.857 5.911 1.00 0.00 C ATOM 1035 CE2 TYR A 70 -8.960 4.544 4.215 1.00 0.00 C ATOM 1036 CZ TYR A 70 -9.438 4.081 5.423 1.00 0.00 C ATOM 1037 OH TYR A 70 -10.327 4.843 6.146 1.00 0.00 O ATOM 0 H TYR A 70 -5.918 -0.476 4.326 1.00 0.00 H new ATOM 0 HA TYR A 70 -8.268 0.333 2.760 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.733 1.614 3.730 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -6.428 2.217 2.238 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -7.817 1.138 5.569 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -7.696 4.141 2.547 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -9.405 2.497 6.857 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -9.281 5.503 3.836 1.00 0.00 H new ATOM 0 HH TYR A 70 -10.511 5.676 5.664 1.00 0.00 H new ATOM 1047 N VAL A 71 -5.871 -1.277 1.549 1.00 0.00 N ATOM 1048 CA VAL A 71 -5.265 -1.834 0.346 1.00 0.00 C ATOM 1049 C VAL A 71 -5.561 -3.324 0.220 1.00 0.00 C ATOM 1050 O VAL A 71 -6.177 -3.923 1.103 1.00 0.00 O ATOM 1051 CB VAL A 71 -3.739 -1.622 0.336 1.00 0.00 C ATOM 1052 CG1 VAL A 71 -3.403 -0.148 0.505 1.00 0.00 C ATOM 1053 CG2 VAL A 71 -3.079 -2.456 1.424 1.00 0.00 C ATOM 0 H VAL A 71 -5.680 -1.805 2.400 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.703 -1.307 -0.502 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.350 -1.950 -0.628 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.321 -0.018 0.495 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.844 0.422 -0.313 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.803 0.210 1.454 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.001 -2.294 1.403 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.471 -2.161 2.397 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.291 -3.511 1.252 1.00 0.00 H new ATOM 1063 N THR A 72 -5.118 -3.919 -0.883 1.00 0.00 N ATOM 1064 CA THR A 72 -5.336 -5.339 -1.125 1.00 0.00 C ATOM 1065 C THR A 72 -4.080 -6.001 -1.682 1.00 0.00 C ATOM 1066 O THR A 72 -3.478 -5.508 -2.634 1.00 0.00 O ATOM 1067 CB THR A 72 -6.501 -5.570 -2.105 1.00 0.00 C ATOM 1068 OG1 THR A 72 -6.740 -6.973 -2.262 1.00 0.00 O ATOM 1069 CG2 THR A 72 -6.200 -4.947 -3.460 1.00 0.00 C ATOM 0 H THR A 72 -4.606 -3.439 -1.623 1.00 0.00 H new ATOM 0 HA THR A 72 -5.585 -5.788 -0.164 1.00 0.00 H new ATOM 0 HB THR A 72 -7.391 -5.095 -1.694 1.00 0.00 H new ATOM 0 HG1 THR A 72 -7.484 -7.110 -2.885 1.00 0.00 H new ATOM 0 HG21 THR A 72 -7.037 -5.123 -4.135 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.049 -3.874 -3.342 1.00 0.00 H new ATOM 0 HG23 THR A 72 -5.298 -5.397 -3.875 1.00 0.00 H new