USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 678 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 CYS SG : rot -160:sc= -0.32 USER MOD Set 1.2: A 90 CYS SG : rot 99:sc= 0.0132 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.347 USER MOD Single : A 28 ASN : amide:sc= -0.422 X(o=-0.42,f=-0.73) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -172:sc= 0 (180deg=-0.0372) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= -0.145 (180deg=-0.145) USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot -71:sc= 0.569 USER MOD Single : A 64 HIS : no HD1:sc= -0.173 K(o=-0.17,f=-0.98) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 73 CYS SG : rot 49:sc= 0.208 USER MOD Single : A 76 GLN : amide:sc= -0.267 K(o=-0.27,f=-1.6!) USER MOD Single : A 88 TYR OH : rot -31:sc= 0.525 USER MOD Single : A 91 MET CE :methyl -176:sc= -1.04 (180deg=-1.07) USER MOD Single : A 92 CYS SG : rot 40:sc= -2.11! USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 160:sc= -0.214 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl -178:sc=-0.00118 (180deg=-0.00404) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 258 N ILE A 20 -2.514 17.823 -3.522 1.00 0.00 N ATOM 259 CA ILE A 20 -1.572 16.803 -3.965 1.00 0.00 C ATOM 260 C ILE A 20 -2.273 15.724 -4.783 1.00 0.00 C ATOM 261 O ILE A 20 -3.274 15.153 -4.350 1.00 0.00 O ATOM 262 CB ILE A 20 -0.855 16.142 -2.772 1.00 0.00 C ATOM 263 CG1 ILE A 20 -0.155 17.202 -1.919 1.00 0.00 C ATOM 264 CG2 ILE A 20 0.143 15.104 -3.263 1.00 0.00 C ATOM 265 CD1 ILE A 20 0.382 16.666 -0.610 1.00 0.00 C ATOM 0 HA ILE A 20 -0.834 17.306 -4.589 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.598 15.638 -2.154 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.667 17.632 -2.491 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.856 18.010 -1.711 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.641 14.646 -2.409 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.381 14.336 -3.832 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.885 15.585 -3.901 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.865 17.472 -0.058 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.439 16.262 -0.018 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.108 15.878 -0.810 1.00 0.00 H new ATOM 277 N LYS A 21 -1.741 15.449 -5.969 1.00 0.00 N ATOM 278 CA LYS A 21 -2.312 14.436 -6.849 1.00 0.00 C ATOM 279 C LYS A 21 -1.281 13.365 -7.188 1.00 0.00 C ATOM 280 O LYS A 21 -0.123 13.452 -6.778 1.00 0.00 O ATOM 281 CB LYS A 21 -2.834 15.083 -8.134 1.00 0.00 C ATOM 282 CG LYS A 21 -1.858 16.064 -8.760 1.00 0.00 C ATOM 283 CD LYS A 21 -1.726 15.840 -10.257 1.00 0.00 C ATOM 284 CE LYS A 21 -0.382 16.328 -10.777 1.00 0.00 C ATOM 285 NZ LYS A 21 -0.511 17.601 -11.538 1.00 0.00 N ATOM 0 H LYS A 21 -0.914 15.914 -6.343 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.142 13.962 -6.325 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.064 14.301 -8.857 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.768 15.601 -7.917 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.194 17.084 -8.572 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.881 15.958 -8.288 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.840 14.779 -10.479 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.530 16.362 -10.776 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.300 16.473 -9.940 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.058 15.564 -11.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.426 17.900 -11.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.142 17.456 -12.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.907 18.337 -10.919 1.00 0.00 H new ATOM 299 N PHE A 22 -1.708 12.357 -7.941 1.00 0.00 N ATOM 300 CA PHE A 22 -0.821 11.269 -8.336 1.00 0.00 C ATOM 301 C PHE A 22 -0.200 11.543 -9.703 1.00 0.00 C ATOM 302 O PHE A 22 -0.907 11.740 -10.691 1.00 0.00 O ATOM 303 CB PHE A 22 -1.586 9.944 -8.367 1.00 0.00 C ATOM 304 CG PHE A 22 -1.528 9.188 -7.070 1.00 0.00 C ATOM 305 CD1 PHE A 22 -0.460 8.353 -6.787 1.00 0.00 C ATOM 306 CD2 PHE A 22 -2.543 9.314 -6.135 1.00 0.00 C ATOM 307 CE1 PHE A 22 -0.405 7.655 -5.595 1.00 0.00 C ATOM 308 CE2 PHE A 22 -2.493 8.619 -4.941 1.00 0.00 C ATOM 309 CZ PHE A 22 -1.423 7.790 -4.670 1.00 0.00 C ATOM 0 H PHE A 22 -2.663 12.271 -8.290 1.00 0.00 H new ATOM 0 HA PHE A 22 -0.020 11.201 -7.600 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.628 10.141 -8.617 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.180 9.318 -9.162 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.339 8.246 -7.506 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -3.382 9.962 -6.341 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.432 7.005 -5.387 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.291 8.725 -4.221 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.381 7.248 -3.737 1.00 0.00 H new ATOM 319 N THR A 23 1.129 11.554 -9.751 1.00 0.00 N ATOM 320 CA THR A 23 1.846 11.805 -10.995 1.00 0.00 C ATOM 321 C THR A 23 2.038 10.518 -11.788 1.00 0.00 C ATOM 322 O THR A 23 2.033 10.531 -13.019 1.00 0.00 O ATOM 323 CB THR A 23 3.224 12.441 -10.730 1.00 0.00 C ATOM 324 OG1 THR A 23 4.068 11.512 -10.041 1.00 0.00 O ATOM 325 CG2 THR A 23 3.083 13.713 -9.907 1.00 0.00 C ATOM 0 H THR A 23 1.730 11.392 -8.943 1.00 0.00 H new ATOM 0 HA THR A 23 1.238 12.499 -11.576 1.00 0.00 H new ATOM 0 HB THR A 23 3.673 12.696 -11.690 1.00 0.00 H new ATOM 0 HG1 THR A 23 4.942 11.923 -9.878 1.00 0.00 H new ATOM 0 HG21 THR A 23 4.069 14.144 -9.732 1.00 0.00 H new ATOM 0 HG22 THR A 23 2.464 14.429 -10.447 1.00 0.00 H new ATOM 0 HG23 THR A 23 2.615 13.478 -8.951 1.00 0.00 H new ATOM 333 N GLU A 24 2.206 9.408 -11.076 1.00 0.00 N ATOM 334 CA GLU A 24 2.400 8.112 -11.716 1.00 0.00 C ATOM 335 C GLU A 24 1.674 7.012 -10.948 1.00 0.00 C ATOM 336 O GLU A 24 2.259 6.344 -10.096 1.00 0.00 O ATOM 337 CB GLU A 24 3.891 7.783 -11.813 1.00 0.00 C ATOM 338 CG GLU A 24 4.479 8.024 -13.193 1.00 0.00 C ATOM 339 CD GLU A 24 5.846 7.389 -13.363 1.00 0.00 C ATOM 340 OE1 GLU A 24 5.903 6.198 -13.732 1.00 0.00 O ATOM 341 OE2 GLU A 24 6.857 8.083 -13.128 1.00 0.00 O ATOM 0 H GLU A 24 2.212 9.380 -10.056 1.00 0.00 H new ATOM 0 HA GLU A 24 1.982 8.166 -12.721 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.435 8.385 -11.085 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.043 6.739 -11.540 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.801 7.625 -13.948 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.556 9.097 -13.369 1.00 0.00 H new ATOM 348 N GLY A 25 0.393 6.829 -11.255 1.00 0.00 N ATOM 349 CA GLY A 25 -0.393 5.810 -10.584 1.00 0.00 C ATOM 350 C GLY A 25 0.239 4.435 -10.679 1.00 0.00 C ATOM 351 O GLY A 25 1.012 4.161 -11.598 1.00 0.00 O ATOM 0 H GLY A 25 -0.114 7.368 -11.957 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.513 6.080 -9.535 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.391 5.779 -11.021 1.00 0.00 H new ATOM 355 N LEU A 26 -0.089 3.568 -9.727 1.00 0.00 N ATOM 356 CA LEU A 26 0.453 2.214 -9.705 1.00 0.00 C ATOM 357 C LEU A 26 0.203 1.506 -11.033 1.00 0.00 C ATOM 358 O LEU A 26 -0.649 1.922 -11.818 1.00 0.00 O ATOM 359 CB LEU A 26 -0.170 1.412 -8.561 1.00 0.00 C ATOM 360 CG LEU A 26 0.214 1.851 -7.148 1.00 0.00 C ATOM 361 CD1 LEU A 26 -0.877 1.474 -6.157 1.00 0.00 C ATOM 362 CD2 LEU A 26 1.544 1.234 -6.740 1.00 0.00 C ATOM 0 H LEU A 26 -0.728 3.779 -8.960 1.00 0.00 H new ATOM 0 HA LEU A 26 1.529 2.283 -9.548 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.255 1.466 -8.655 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.109 0.365 -8.683 1.00 0.00 H new ATOM 0 HG LEU A 26 0.323 2.936 -7.142 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.586 1.794 -5.157 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.809 1.964 -6.438 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.018 0.393 -6.165 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.801 1.558 -5.731 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.463 0.147 -6.763 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.322 1.555 -7.433 1.00 0.00 H new ATOM 374 N ARG A 27 0.949 0.434 -11.276 1.00 0.00 N ATOM 375 CA ARG A 27 0.807 -0.333 -12.508 1.00 0.00 C ATOM 376 C ARG A 27 0.747 -1.829 -12.214 1.00 0.00 C ATOM 377 O ARG A 27 1.381 -2.313 -11.278 1.00 0.00 O ATOM 378 CB ARG A 27 1.971 -0.036 -13.456 1.00 0.00 C ATOM 379 CG ARG A 27 3.294 -0.632 -13.002 1.00 0.00 C ATOM 380 CD ARG A 27 4.440 -0.192 -13.899 1.00 0.00 C ATOM 381 NE ARG A 27 4.974 -1.300 -14.687 1.00 0.00 N ATOM 382 CZ ARG A 27 6.004 -1.181 -15.518 1.00 0.00 C ATOM 383 NH1 ARG A 27 6.608 -0.011 -15.667 1.00 0.00 N ATOM 384 NH2 ARG A 27 6.432 -2.235 -16.200 1.00 0.00 N ATOM 0 H ARG A 27 1.658 0.076 -10.636 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.127 -0.036 -12.985 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.729 -0.422 -14.446 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.083 1.044 -13.553 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.497 -0.329 -11.975 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.225 -1.720 -13.006 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.095 0.596 -14.569 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.235 0.235 -13.288 1.00 0.00 H new ATOM 0 HE ARG A 27 4.532 -2.215 -14.594 1.00 0.00 H new ATOM 0 HH11 ARG A 27 6.283 0.801 -15.143 1.00 0.00 H new ATOM 0 HH12 ARG A 27 7.398 0.077 -16.306 1.00 0.00 H new ATOM 0 HH21 ARG A 27 5.970 -3.138 -16.087 1.00 0.00 H new ATOM 0 HH22 ARG A 27 7.223 -2.143 -16.838 1.00 0.00 H new ATOM 398 N ASN A 28 -0.022 -2.554 -13.019 1.00 0.00 N ATOM 399 CA ASN A 28 -0.167 -3.995 -12.844 1.00 0.00 C ATOM 400 C ASN A 28 1.194 -4.684 -12.857 1.00 0.00 C ATOM 401 O ASN A 28 1.959 -4.551 -13.812 1.00 0.00 O ATOM 402 CB ASN A 28 -1.056 -4.577 -13.946 1.00 0.00 C ATOM 403 CG ASN A 28 -0.539 -4.257 -15.335 1.00 0.00 C ATOM 404 OD1 ASN A 28 0.295 -4.979 -15.880 1.00 0.00 O ATOM 405 ND2 ASN A 28 -1.034 -3.170 -15.915 1.00 0.00 N ATOM 0 H ASN A 28 -0.554 -2.168 -13.799 1.00 0.00 H new ATOM 0 HA ASN A 28 -0.636 -4.173 -11.876 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.119 -5.658 -13.825 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.067 -4.185 -13.838 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -0.724 -2.905 -16.850 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -1.724 -2.600 -15.426 1.00 0.00 H new ATOM 412 N GLU A 29 1.489 -5.421 -11.791 1.00 0.00 N ATOM 413 CA GLU A 29 2.758 -6.131 -11.680 1.00 0.00 C ATOM 414 C GLU A 29 2.535 -7.640 -11.641 1.00 0.00 C ATOM 415 O GLU A 29 1.450 -8.108 -11.302 1.00 0.00 O ATOM 416 CB GLU A 29 3.511 -5.682 -10.426 1.00 0.00 C ATOM 417 CG GLU A 29 4.892 -5.118 -10.714 1.00 0.00 C ATOM 418 CD GLU A 29 5.796 -6.116 -11.411 1.00 0.00 C ATOM 419 OE1 GLU A 29 5.962 -7.235 -10.883 1.00 0.00 O ATOM 420 OE2 GLU A 29 6.336 -5.778 -12.485 1.00 0.00 O ATOM 0 H GLU A 29 0.867 -5.542 -10.992 1.00 0.00 H new ATOM 0 HA GLU A 29 3.357 -5.893 -12.559 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.920 -4.926 -9.909 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.608 -6.530 -9.748 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.794 -4.227 -11.334 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.355 -4.806 -9.778 1.00 0.00 H new ATOM 427 N GLU A 30 3.572 -8.394 -11.992 1.00 0.00 N ATOM 428 CA GLU A 30 3.490 -9.850 -11.998 1.00 0.00 C ATOM 429 C GLU A 30 4.722 -10.468 -11.342 1.00 0.00 C ATOM 430 O GLU A 30 5.843 -10.000 -11.539 1.00 0.00 O ATOM 431 CB GLU A 30 3.347 -10.368 -13.430 1.00 0.00 C ATOM 432 CG GLU A 30 3.183 -11.877 -13.518 1.00 0.00 C ATOM 433 CD GLU A 30 2.965 -12.358 -14.940 1.00 0.00 C ATOM 434 OE1 GLU A 30 3.355 -11.631 -15.878 1.00 0.00 O ATOM 435 OE2 GLU A 30 2.405 -13.460 -15.114 1.00 0.00 O ATOM 0 H GLU A 30 4.478 -8.021 -12.276 1.00 0.00 H new ATOM 0 HA GLU A 30 2.610 -10.141 -11.424 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.486 -9.890 -13.896 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.225 -10.072 -14.004 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.070 -12.360 -13.107 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.338 -12.184 -12.901 1.00 0.00 H new ATOM 442 N ALA A 31 4.504 -11.521 -10.562 1.00 0.00 N ATOM 443 CA ALA A 31 5.595 -12.204 -9.878 1.00 0.00 C ATOM 444 C ALA A 31 5.387 -13.715 -9.886 1.00 0.00 C ATOM 445 O ALA A 31 4.331 -14.205 -10.286 1.00 0.00 O ATOM 446 CB ALA A 31 5.724 -11.695 -8.450 1.00 0.00 C ATOM 0 H ALA A 31 3.582 -11.920 -10.388 1.00 0.00 H new ATOM 0 HA ALA A 31 6.519 -11.987 -10.414 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.543 -12.214 -7.951 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.927 -10.624 -8.462 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.795 -11.882 -7.912 1.00 0.00 H new ATOM 452 N THR A 32 6.403 -14.449 -9.442 1.00 0.00 N ATOM 453 CA THR A 32 6.332 -15.905 -9.400 1.00 0.00 C ATOM 454 C THR A 32 6.279 -16.411 -7.963 1.00 0.00 C ATOM 455 O THR A 32 6.772 -15.755 -7.046 1.00 0.00 O ATOM 456 CB THR A 32 7.537 -16.546 -10.114 1.00 0.00 C ATOM 457 OG1 THR A 32 7.771 -15.890 -11.366 1.00 0.00 O ATOM 458 CG2 THR A 32 7.298 -18.030 -10.351 1.00 0.00 C ATOM 0 H THR A 32 7.284 -14.060 -9.107 1.00 0.00 H new ATOM 0 HA THR A 32 5.417 -16.193 -9.918 1.00 0.00 H new ATOM 0 HB THR A 32 8.413 -16.432 -9.475 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.540 -16.302 -11.813 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.162 -18.462 -10.856 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.149 -18.532 -9.395 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.412 -18.161 -10.972 1.00 0.00 H new ATOM 466 N GLU A 33 5.678 -17.582 -7.775 1.00 0.00 N ATOM 467 CA GLU A 33 5.562 -18.175 -6.448 1.00 0.00 C ATOM 468 C GLU A 33 6.932 -18.313 -5.792 1.00 0.00 C ATOM 469 O GLU A 33 7.847 -18.910 -6.358 1.00 0.00 O ATOM 470 CB GLU A 33 4.886 -19.545 -6.536 1.00 0.00 C ATOM 471 CG GLU A 33 3.551 -19.613 -5.812 1.00 0.00 C ATOM 472 CD GLU A 33 3.018 -21.028 -5.702 1.00 0.00 C ATOM 473 OE1 GLU A 33 3.836 -21.959 -5.552 1.00 0.00 O ATOM 474 OE2 GLU A 33 1.784 -21.204 -5.767 1.00 0.00 O ATOM 0 H GLU A 33 5.265 -18.138 -8.524 1.00 0.00 H new ATOM 0 HA GLU A 33 4.950 -17.514 -5.834 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.734 -19.799 -7.585 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.555 -20.298 -6.119 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.662 -19.192 -4.813 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.824 -18.995 -6.339 1.00 0.00 H new ATOM 481 N GLY A 34 7.066 -17.756 -4.592 1.00 0.00 N ATOM 482 CA GLY A 34 8.327 -17.827 -3.877 1.00 0.00 C ATOM 483 C GLY A 34 9.208 -16.621 -4.136 1.00 0.00 C ATOM 484 O GLY A 34 10.091 -16.306 -3.338 1.00 0.00 O ATOM 0 H GLY A 34 6.323 -17.257 -4.102 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.131 -17.907 -2.808 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.858 -18.732 -4.172 1.00 0.00 H new ATOM 488 N ALA A 35 8.971 -15.946 -5.256 1.00 0.00 N ATOM 489 CA ALA A 35 9.750 -14.769 -5.618 1.00 0.00 C ATOM 490 C ALA A 35 9.393 -13.581 -4.731 1.00 0.00 C ATOM 491 O ALA A 35 8.600 -13.705 -3.798 1.00 0.00 O ATOM 492 CB ALA A 35 9.531 -14.421 -7.083 1.00 0.00 C ATOM 0 H ALA A 35 8.245 -16.195 -5.928 1.00 0.00 H new ATOM 0 HA ALA A 35 10.804 -15.000 -5.465 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.119 -13.540 -7.339 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.842 -15.259 -7.707 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.474 -14.214 -7.254 1.00 0.00 H new ATOM 498 N THR A 36 9.984 -12.427 -5.028 1.00 0.00 N ATOM 499 CA THR A 36 9.731 -11.217 -4.257 1.00 0.00 C ATOM 500 C THR A 36 9.084 -10.140 -5.121 1.00 0.00 C ATOM 501 O THR A 36 9.669 -9.687 -6.104 1.00 0.00 O ATOM 502 CB THR A 36 11.029 -10.658 -3.645 1.00 0.00 C ATOM 503 OG1 THR A 36 11.732 -11.697 -2.955 1.00 0.00 O ATOM 504 CG2 THR A 36 10.727 -9.519 -2.684 1.00 0.00 C ATOM 0 H THR A 36 10.642 -12.306 -5.798 1.00 0.00 H new ATOM 0 HA THR A 36 9.049 -11.492 -3.452 1.00 0.00 H new ATOM 0 HB THR A 36 11.651 -10.275 -4.454 1.00 0.00 H new ATOM 0 HG1 THR A 36 12.557 -11.334 -2.570 1.00 0.00 H new ATOM 0 HG21 THR A 36 11.659 -9.140 -2.264 1.00 0.00 H new ATOM 0 HG22 THR A 36 10.218 -8.717 -3.219 1.00 0.00 H new ATOM 0 HG23 THR A 36 10.088 -9.882 -1.879 1.00 0.00 H new ATOM 512 N ALA A 37 7.876 -9.734 -4.746 1.00 0.00 N ATOM 513 CA ALA A 37 7.152 -8.708 -5.486 1.00 0.00 C ATOM 514 C ALA A 37 7.226 -7.362 -4.773 1.00 0.00 C ATOM 515 O ALA A 37 7.111 -7.289 -3.549 1.00 0.00 O ATOM 516 CB ALA A 37 5.701 -9.123 -5.682 1.00 0.00 C ATOM 0 H ALA A 37 7.378 -10.100 -3.934 1.00 0.00 H new ATOM 0 HA ALA A 37 7.623 -8.600 -6.463 1.00 0.00 H new ATOM 0 HB1 ALA A 37 5.172 -8.347 -6.236 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.662 -10.058 -6.240 1.00 0.00 H new ATOM 0 HB3 ALA A 37 5.228 -9.261 -4.710 1.00 0.00 H new ATOM 522 N VAL A 38 7.420 -6.298 -5.546 1.00 0.00 N ATOM 523 CA VAL A 38 7.510 -4.954 -4.988 1.00 0.00 C ATOM 524 C VAL A 38 6.998 -3.913 -5.977 1.00 0.00 C ATOM 525 O VAL A 38 7.479 -3.824 -7.107 1.00 0.00 O ATOM 526 CB VAL A 38 8.958 -4.604 -4.596 1.00 0.00 C ATOM 527 CG1 VAL A 38 9.888 -4.767 -5.789 1.00 0.00 C ATOM 528 CG2 VAL A 38 9.033 -3.190 -4.040 1.00 0.00 C ATOM 0 H VAL A 38 7.518 -6.341 -6.560 1.00 0.00 H new ATOM 0 HA VAL A 38 6.886 -4.941 -4.094 1.00 0.00 H new ATOM 0 HB VAL A 38 9.282 -5.293 -3.816 1.00 0.00 H new ATOM 0 HG11 VAL A 38 10.907 -4.515 -5.493 1.00 0.00 H new ATOM 0 HG12 VAL A 38 9.856 -5.799 -6.137 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.569 -4.103 -6.592 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.063 -2.960 -3.768 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.691 -2.483 -4.796 1.00 0.00 H new ATOM 0 HG23 VAL A 38 8.399 -3.112 -3.157 1.00 0.00 H new ATOM 538 N LEU A 39 6.018 -3.126 -5.545 1.00 0.00 N ATOM 539 CA LEU A 39 5.439 -2.089 -6.392 1.00 0.00 C ATOM 540 C LEU A 39 6.006 -0.718 -6.039 1.00 0.00 C ATOM 541 O LEU A 39 6.514 -0.511 -4.936 1.00 0.00 O ATOM 542 CB LEU A 39 3.917 -2.077 -6.248 1.00 0.00 C ATOM 543 CG LEU A 39 3.210 -3.413 -6.478 1.00 0.00 C ATOM 544 CD1 LEU A 39 2.405 -3.810 -5.251 1.00 0.00 C ATOM 545 CD2 LEU A 39 2.312 -3.338 -7.705 1.00 0.00 C ATOM 0 H LEU A 39 5.608 -3.187 -4.613 1.00 0.00 H new ATOM 0 HA LEU A 39 5.698 -2.313 -7.427 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.670 -1.726 -5.246 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.511 -1.349 -6.950 1.00 0.00 H new ATOM 0 HG LEU A 39 3.968 -4.177 -6.653 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.909 -4.763 -5.434 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.072 -3.906 -4.394 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.656 -3.045 -5.044 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.817 -4.298 -7.853 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.561 -2.561 -7.559 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.914 -3.101 -8.582 1.00 0.00 H new ATOM 557 N ARG A 40 5.914 0.215 -6.980 1.00 0.00 N ATOM 558 CA ARG A 40 6.416 1.567 -6.768 1.00 0.00 C ATOM 559 C ARG A 40 5.503 2.596 -7.428 1.00 0.00 C ATOM 560 O ARG A 40 4.954 2.355 -8.503 1.00 0.00 O ATOM 561 CB ARG A 40 7.836 1.699 -7.322 1.00 0.00 C ATOM 562 CG ARG A 40 8.839 0.772 -6.655 1.00 0.00 C ATOM 563 CD ARG A 40 9.014 -0.518 -7.442 1.00 0.00 C ATOM 564 NE ARG A 40 10.406 -0.958 -7.468 1.00 0.00 N ATOM 565 CZ ARG A 40 11.351 -0.365 -8.189 1.00 0.00 C ATOM 566 NH1 ARG A 40 11.055 0.687 -8.939 1.00 0.00 N ATOM 567 NH2 ARG A 40 12.596 -0.825 -8.160 1.00 0.00 N ATOM 0 H ARG A 40 5.496 0.060 -7.897 1.00 0.00 H new ATOM 0 HA ARG A 40 6.433 1.757 -5.695 1.00 0.00 H new ATOM 0 HB2 ARG A 40 7.820 1.493 -8.392 1.00 0.00 H new ATOM 0 HB3 ARG A 40 8.170 2.729 -7.201 1.00 0.00 H new ATOM 0 HG2 ARG A 40 9.800 1.278 -6.565 1.00 0.00 H new ATOM 0 HG3 ARG A 40 8.505 0.540 -5.644 1.00 0.00 H new ATOM 0 HD2 ARG A 40 8.395 -1.299 -7.000 1.00 0.00 H new ATOM 0 HD3 ARG A 40 8.661 -0.371 -8.463 1.00 0.00 H new ATOM 0 HE ARG A 40 10.667 -1.765 -6.901 1.00 0.00 H new ATOM 0 HH11 ARG A 40 10.100 1.043 -8.964 1.00 0.00 H new ATOM 0 HH12 ARG A 40 11.783 1.140 -9.492 1.00 0.00 H new ATOM 0 HH21 ARG A 40 12.827 -1.634 -7.584 1.00 0.00 H new ATOM 0 HH22 ARG A 40 13.321 -0.369 -8.714 1.00 0.00 H new ATOM 581 N CYS A 41 5.346 3.743 -6.776 1.00 0.00 N ATOM 582 CA CYS A 41 4.498 4.809 -7.299 1.00 0.00 C ATOM 583 C CYS A 41 5.041 6.179 -6.904 1.00 0.00 C ATOM 584 O CYS A 41 5.685 6.325 -5.866 1.00 0.00 O ATOM 585 CB CYS A 41 3.066 4.648 -6.787 1.00 0.00 C ATOM 586 SG CYS A 41 2.940 4.465 -4.992 1.00 0.00 S ATOM 0 H CYS A 41 5.794 3.959 -5.885 1.00 0.00 H new ATOM 0 HA CYS A 41 4.497 4.738 -8.387 1.00 0.00 H new ATOM 0 HB2 CYS A 41 2.482 5.515 -7.095 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.617 3.776 -7.263 1.00 0.00 H new ATOM 0 HG CYS A 41 1.796 3.927 -4.690 1.00 0.00 H new ATOM 592 N GLU A 42 4.777 7.178 -7.740 1.00 0.00 N ATOM 593 CA GLU A 42 5.242 8.535 -7.478 1.00 0.00 C ATOM 594 C GLU A 42 4.068 9.466 -7.189 1.00 0.00 C ATOM 595 O GLU A 42 2.964 9.269 -7.699 1.00 0.00 O ATOM 596 CB GLU A 42 6.043 9.062 -8.670 1.00 0.00 C ATOM 597 CG GLU A 42 7.284 9.844 -8.272 1.00 0.00 C ATOM 598 CD GLU A 42 8.219 10.089 -9.440 1.00 0.00 C ATOM 599 OE1 GLU A 42 8.038 9.440 -10.492 1.00 0.00 O ATOM 600 OE2 GLU A 42 9.132 10.930 -9.302 1.00 0.00 O ATOM 0 H GLU A 42 4.244 7.073 -8.603 1.00 0.00 H new ATOM 0 HA GLU A 42 5.887 8.508 -6.599 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.339 8.222 -9.298 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.400 9.701 -9.275 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.984 10.801 -7.845 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.817 9.300 -7.493 1.00 0.00 H new ATOM 607 N LEU A 43 4.314 10.480 -6.367 1.00 0.00 N ATOM 608 CA LEU A 43 3.278 11.442 -6.008 1.00 0.00 C ATOM 609 C LEU A 43 3.712 12.864 -6.351 1.00 0.00 C ATOM 610 O LEU A 43 4.864 13.101 -6.715 1.00 0.00 O ATOM 611 CB LEU A 43 2.955 11.342 -4.516 1.00 0.00 C ATOM 612 CG LEU A 43 2.114 10.137 -4.091 1.00 0.00 C ATOM 613 CD1 LEU A 43 2.505 9.680 -2.694 1.00 0.00 C ATOM 614 CD2 LEU A 43 0.632 10.474 -4.149 1.00 0.00 C ATOM 0 H LEU A 43 5.222 10.657 -5.937 1.00 0.00 H new ATOM 0 HA LEU A 43 2.383 11.206 -6.584 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.894 11.318 -3.962 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.431 12.250 -4.216 1.00 0.00 H new ATOM 0 HG LEU A 43 2.307 9.320 -4.786 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.896 8.822 -2.408 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.558 9.397 -2.685 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.341 10.493 -1.986 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.049 9.605 -3.843 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.422 11.307 -3.478 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.362 10.752 -5.168 1.00 0.00 H new ATOM 626 N SER A 44 2.783 13.807 -6.230 1.00 0.00 N ATOM 627 CA SER A 44 3.070 15.205 -6.529 1.00 0.00 C ATOM 628 C SER A 44 3.843 15.857 -5.387 1.00 0.00 C ATOM 629 O SER A 44 4.738 16.671 -5.613 1.00 0.00 O ATOM 630 CB SER A 44 1.770 15.971 -6.783 1.00 0.00 C ATOM 631 OG SER A 44 1.908 17.338 -6.437 1.00 0.00 O ATOM 0 H SER A 44 1.826 13.628 -5.927 1.00 0.00 H new ATOM 0 HA SER A 44 3.686 15.240 -7.428 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.493 15.885 -7.834 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.962 15.525 -6.202 1.00 0.00 H new ATOM 0 HG SER A 44 1.064 17.806 -6.610 1.00 0.00 H new ATOM 637 N LYS A 45 3.491 15.492 -4.159 1.00 0.00 N ATOM 638 CA LYS A 45 4.151 16.039 -2.979 1.00 0.00 C ATOM 639 C LYS A 45 4.138 15.033 -1.833 1.00 0.00 C ATOM 640 O LYS A 45 3.220 14.222 -1.717 1.00 0.00 O ATOM 641 CB LYS A 45 3.466 17.336 -2.541 1.00 0.00 C ATOM 642 CG LYS A 45 4.435 18.475 -2.274 1.00 0.00 C ATOM 643 CD LYS A 45 3.828 19.519 -1.352 1.00 0.00 C ATOM 644 CE LYS A 45 3.814 19.045 0.093 1.00 0.00 C ATOM 645 NZ LYS A 45 2.757 19.726 0.891 1.00 0.00 N ATOM 0 H LYS A 45 2.752 14.819 -3.955 1.00 0.00 H new ATOM 0 HA LYS A 45 5.188 16.253 -3.240 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.761 17.643 -3.313 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.886 17.144 -1.638 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.348 18.080 -1.827 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.718 18.942 -3.217 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.396 20.446 -1.426 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.810 19.742 -1.673 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.652 17.968 0.120 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.788 19.232 0.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.781 19.375 1.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.926 20.752 0.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.825 19.527 0.474 1.00 0.00 H new ATOM 659 N MET A 46 5.161 15.093 -0.987 1.00 0.00 N ATOM 660 CA MET A 46 5.265 14.188 0.152 1.00 0.00 C ATOM 661 C MET A 46 3.993 14.224 0.992 1.00 0.00 C ATOM 662 O MET A 46 3.586 15.280 1.475 1.00 0.00 O ATOM 663 CB MET A 46 6.472 14.558 1.016 1.00 0.00 C ATOM 664 CG MET A 46 6.682 13.625 2.198 1.00 0.00 C ATOM 665 SD MET A 46 7.231 14.494 3.679 1.00 0.00 S ATOM 666 CE MET A 46 8.789 15.174 3.114 1.00 0.00 C ATOM 0 H MET A 46 5.930 15.759 -1.068 1.00 0.00 H new ATOM 0 HA MET A 46 5.398 13.176 -0.230 1.00 0.00 H new ATOM 0 HB2 MET A 46 7.368 14.552 0.395 1.00 0.00 H new ATOM 0 HB3 MET A 46 6.346 15.576 1.385 1.00 0.00 H new ATOM 0 HG2 MET A 46 5.750 13.102 2.413 1.00 0.00 H new ATOM 0 HG3 MET A 46 7.419 12.867 1.932 1.00 0.00 H new ATOM 0 HE1 MET A 46 9.318 15.619 3.956 1.00 0.00 H new ATOM 0 HE2 MET A 46 9.397 14.380 2.682 1.00 0.00 H new ATOM 0 HE3 MET A 46 8.600 15.938 2.359 1.00 0.00 H new ATOM 676 N ALA A 47 3.368 13.063 1.163 1.00 0.00 N ATOM 677 CA ALA A 47 2.144 12.962 1.946 1.00 0.00 C ATOM 678 C ALA A 47 1.939 11.543 2.465 1.00 0.00 C ATOM 679 O ALA A 47 2.512 10.581 1.954 1.00 0.00 O ATOM 680 CB ALA A 47 0.947 13.400 1.114 1.00 0.00 C ATOM 0 H ALA A 47 3.690 12.179 0.769 1.00 0.00 H new ATOM 0 HA ALA A 47 2.237 13.625 2.806 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.039 13.319 1.712 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.083 14.434 0.798 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.861 12.760 0.236 1.00 0.00 H new ATOM 686 N PRO A 48 1.103 11.407 3.505 1.00 0.00 N ATOM 687 CA PRO A 48 0.804 10.109 4.116 1.00 0.00 C ATOM 688 C PRO A 48 -0.031 9.217 3.203 1.00 0.00 C ATOM 689 O PRO A 48 -1.092 9.620 2.726 1.00 0.00 O ATOM 690 CB PRO A 48 0.010 10.481 5.371 1.00 0.00 C ATOM 691 CG PRO A 48 -0.599 11.804 5.055 1.00 0.00 C ATOM 692 CD PRO A 48 0.385 12.511 4.165 1.00 0.00 C ATOM 0 HA PRO A 48 1.709 9.538 4.322 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -0.754 9.736 5.591 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.658 10.542 6.246 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -1.560 11.682 4.555 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -0.784 12.376 5.964 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.117 13.153 3.441 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.062 13.145 4.738 1.00 0.00 H new ATOM 700 N VAL A 49 0.455 8.003 2.964 1.00 0.00 N ATOM 701 CA VAL A 49 -0.247 7.053 2.109 1.00 0.00 C ATOM 702 C VAL A 49 -0.758 5.863 2.913 1.00 0.00 C ATOM 703 O VAL A 49 -0.295 5.609 4.025 1.00 0.00 O ATOM 704 CB VAL A 49 0.661 6.541 0.975 1.00 0.00 C ATOM 705 CG1 VAL A 49 1.110 7.693 0.089 1.00 0.00 C ATOM 706 CG2 VAL A 49 1.859 5.798 1.547 1.00 0.00 C ATOM 0 H VAL A 49 1.332 7.654 3.350 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.094 7.584 1.674 1.00 0.00 H new ATOM 0 HB VAL A 49 0.090 5.844 0.361 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.751 7.312 -0.706 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.237 8.177 -0.349 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.665 8.417 0.686 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.490 5.443 0.732 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.433 6.470 2.184 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.513 4.948 2.135 1.00 0.00 H new ATOM 716 N GLU A 50 -1.714 5.137 2.343 1.00 0.00 N ATOM 717 CA GLU A 50 -2.287 3.973 3.008 1.00 0.00 C ATOM 718 C GLU A 50 -2.587 2.864 2.003 1.00 0.00 C ATOM 719 O GLU A 50 -3.323 3.070 1.037 1.00 0.00 O ATOM 720 CB GLU A 50 -3.567 4.361 3.752 1.00 0.00 C ATOM 721 CG GLU A 50 -3.313 5.077 5.068 1.00 0.00 C ATOM 722 CD GLU A 50 -4.584 5.312 5.859 1.00 0.00 C ATOM 723 OE1 GLU A 50 -5.543 4.531 5.685 1.00 0.00 O ATOM 724 OE2 GLU A 50 -4.621 6.275 6.653 1.00 0.00 O ATOM 0 H GLU A 50 -2.108 5.334 1.423 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.556 3.601 3.726 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.170 5.002 3.110 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.152 3.462 3.944 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.619 4.489 5.669 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.831 6.034 4.869 1.00 0.00 H new ATOM 731 N TRP A 51 -2.012 1.691 2.237 1.00 0.00 N ATOM 732 CA TRP A 51 -2.216 0.549 1.352 1.00 0.00 C ATOM 733 C TRP A 51 -3.418 -0.277 1.798 1.00 0.00 C ATOM 734 O TRP A 51 -3.545 -0.619 2.973 1.00 0.00 O ATOM 735 CB TRP A 51 -0.963 -0.327 1.318 1.00 0.00 C ATOM 736 CG TRP A 51 0.242 0.380 0.775 1.00 0.00 C ATOM 737 CD1 TRP A 51 1.116 1.163 1.472 1.00 0.00 C ATOM 738 CD2 TRP A 51 0.702 0.369 -0.581 1.00 0.00 C ATOM 739 NE1 TRP A 51 2.093 1.640 0.632 1.00 0.00 N ATOM 740 CE2 TRP A 51 1.863 1.166 -0.633 1.00 0.00 C ATOM 741 CE3 TRP A 51 0.250 -0.238 -1.755 1.00 0.00 C ATOM 742 CZ2 TRP A 51 2.572 1.371 -1.813 1.00 0.00 C ATOM 743 CZ3 TRP A 51 0.955 -0.034 -2.926 1.00 0.00 C ATOM 744 CH2 TRP A 51 2.106 0.765 -2.948 1.00 0.00 C ATOM 0 H TRP A 51 -1.401 1.505 3.032 1.00 0.00 H new ATOM 0 HA TRP A 51 -2.412 0.929 0.349 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -0.746 -0.677 2.327 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -1.162 -1.210 0.710 1.00 0.00 H new ATOM 0 HD1 TRP A 51 1.049 1.376 2.529 1.00 0.00 H new ATOM 0 HE1 TRP A 51 2.865 2.248 0.906 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -0.635 -0.856 -1.748 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 3.459 1.987 -1.832 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 0.613 -0.498 -3.839 1.00 0.00 H new ATOM 0 HH2 TRP A 51 2.636 0.905 -3.879 1.00 0.00 H new ATOM 755 N TRP A 52 -4.296 -0.593 0.853 1.00 0.00 N ATOM 756 CA TRP A 52 -5.487 -1.380 1.150 1.00 0.00 C ATOM 757 C TRP A 52 -5.630 -2.542 0.173 1.00 0.00 C ATOM 758 O TRP A 52 -5.585 -2.354 -1.043 1.00 0.00 O ATOM 759 CB TRP A 52 -6.734 -0.496 1.095 1.00 0.00 C ATOM 760 CG TRP A 52 -6.817 0.486 2.224 1.00 0.00 C ATOM 761 CD1 TRP A 52 -6.131 1.661 2.341 1.00 0.00 C ATOM 762 CD2 TRP A 52 -7.629 0.375 3.398 1.00 0.00 C ATOM 763 NE1 TRP A 52 -6.469 2.288 3.516 1.00 0.00 N ATOM 764 CE2 TRP A 52 -7.387 1.520 4.182 1.00 0.00 C ATOM 765 CE3 TRP A 52 -8.540 -0.579 3.862 1.00 0.00 C ATOM 766 CZ2 TRP A 52 -8.021 1.733 5.403 1.00 0.00 C ATOM 767 CZ3 TRP A 52 -9.168 -0.365 5.074 1.00 0.00 C ATOM 768 CH2 TRP A 52 -8.908 0.784 5.833 1.00 0.00 C ATOM 0 H TRP A 52 -4.206 -0.317 -0.125 1.00 0.00 H new ATOM 0 HA TRP A 52 -5.382 -1.786 2.156 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -6.744 0.047 0.150 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -7.621 -1.130 1.108 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -5.426 2.042 1.616 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -6.097 3.181 3.840 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -8.749 -1.467 3.284 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -7.820 2.617 5.990 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -9.872 -1.096 5.443 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -9.417 0.923 6.775 1.00 0.00 H new ATOM 779 N LYS A 53 -5.802 -3.744 0.712 1.00 0.00 N ATOM 780 CA LYS A 53 -5.952 -4.938 -0.112 1.00 0.00 C ATOM 781 C LYS A 53 -7.366 -5.500 -0.002 1.00 0.00 C ATOM 782 O LYS A 53 -7.667 -6.279 0.902 1.00 0.00 O ATOM 783 CB LYS A 53 -4.935 -6.003 0.306 1.00 0.00 C ATOM 784 CG LYS A 53 -4.949 -7.237 -0.579 1.00 0.00 C ATOM 785 CD LYS A 53 -4.432 -8.459 0.161 1.00 0.00 C ATOM 786 CE LYS A 53 -2.982 -8.752 -0.192 1.00 0.00 C ATOM 787 NZ LYS A 53 -2.311 -9.573 0.854 1.00 0.00 N ATOM 0 H LYS A 53 -5.841 -3.917 1.716 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.770 -4.658 -1.150 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.937 -5.566 0.290 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.136 -6.302 1.335 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.965 -7.424 -0.928 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.336 -7.059 -1.463 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.521 -8.300 1.236 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.049 -9.323 -0.085 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.939 -9.275 -1.147 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.442 -7.813 -0.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.325 -9.751 0.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.329 -9.063 1.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.810 -10.479 0.957 1.00 0.00 H new ATOM 801 N GLY A 54 -8.231 -5.100 -0.930 1.00 0.00 N ATOM 802 CA GLY A 54 -9.602 -5.576 -0.920 1.00 0.00 C ATOM 803 C GLY A 54 -10.474 -4.810 0.056 1.00 0.00 C ATOM 804 O GLY A 54 -11.142 -3.847 -0.321 1.00 0.00 O ATOM 0 H GLY A 54 -8.007 -4.455 -1.688 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -10.021 -5.489 -1.922 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.614 -6.634 -0.660 1.00 0.00 H new ATOM 808 N HIS A 55 -10.468 -5.239 1.314 1.00 0.00 N ATOM 809 CA HIS A 55 -11.266 -4.587 2.347 1.00 0.00 C ATOM 810 C HIS A 55 -10.526 -4.582 3.682 1.00 0.00 C ATOM 811 O HIS A 55 -11.146 -4.607 4.745 1.00 0.00 O ATOM 812 CB HIS A 55 -12.614 -5.292 2.501 1.00 0.00 C ATOM 813 CG HIS A 55 -13.778 -4.351 2.556 1.00 0.00 C ATOM 814 ND1 HIS A 55 -14.739 -4.284 1.570 1.00 0.00 N ATOM 815 CD2 HIS A 55 -14.134 -3.437 3.488 1.00 0.00 C ATOM 816 CE1 HIS A 55 -15.635 -3.369 1.892 1.00 0.00 C ATOM 817 NE2 HIS A 55 -15.291 -2.839 3.052 1.00 0.00 N ATOM 0 H HIS A 55 -9.920 -6.034 1.643 1.00 0.00 H new ATOM 0 HA HIS A 55 -11.437 -3.555 2.042 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -12.752 -5.980 1.667 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -12.599 -5.892 3.411 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -13.606 -3.218 4.405 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -16.502 -3.100 1.307 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -15.801 -2.105 3.544 1.00 0.00 H new ATOM 825 N GLU A 56 -9.199 -4.551 3.618 1.00 0.00 N ATOM 826 CA GLU A 56 -8.376 -4.545 4.822 1.00 0.00 C ATOM 827 C GLU A 56 -7.077 -3.778 4.589 1.00 0.00 C ATOM 828 O GLU A 56 -6.592 -3.682 3.461 1.00 0.00 O ATOM 829 CB GLU A 56 -8.064 -5.977 5.261 1.00 0.00 C ATOM 830 CG GLU A 56 -7.425 -6.067 6.636 1.00 0.00 C ATOM 831 CD GLU A 56 -7.127 -7.495 7.049 1.00 0.00 C ATOM 832 OE1 GLU A 56 -8.070 -8.199 7.469 1.00 0.00 O ATOM 833 OE2 GLU A 56 -5.953 -7.909 6.954 1.00 0.00 O ATOM 0 H GLU A 56 -8.671 -4.530 2.746 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.937 -4.045 5.612 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.987 -6.557 5.260 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.398 -6.435 4.530 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.500 -5.491 6.641 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.088 -5.611 7.371 1.00 0.00 H new ATOM 840 N THR A 57 -6.519 -3.233 5.665 1.00 0.00 N ATOM 841 CA THR A 57 -5.278 -2.473 5.579 1.00 0.00 C ATOM 842 C THR A 57 -4.064 -3.382 5.740 1.00 0.00 C ATOM 843 O THR A 57 -4.104 -4.362 6.484 1.00 0.00 O ATOM 844 CB THR A 57 -5.221 -1.367 6.650 1.00 0.00 C ATOM 845 OG1 THR A 57 -6.542 -1.072 7.120 1.00 0.00 O ATOM 846 CG2 THR A 57 -4.583 -0.104 6.090 1.00 0.00 C ATOM 0 H THR A 57 -6.906 -3.304 6.606 1.00 0.00 H new ATOM 0 HA THR A 57 -5.257 -2.014 4.591 1.00 0.00 H new ATOM 0 HB THR A 57 -4.612 -1.726 7.480 1.00 0.00 H new ATOM 0 HG1 THR A 57 -7.044 -0.610 6.416 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.554 0.663 6.864 1.00 0.00 H new ATOM 0 HG22 THR A 57 -3.568 -0.325 5.759 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.170 0.256 5.245 1.00 0.00 H new ATOM 854 N LEU A 58 -2.986 -3.050 5.038 1.00 0.00 N ATOM 855 CA LEU A 58 -1.759 -3.837 5.104 1.00 0.00 C ATOM 856 C LEU A 58 -0.820 -3.293 6.176 1.00 0.00 C ATOM 857 O LEU A 58 -0.703 -2.081 6.355 1.00 0.00 O ATOM 858 CB LEU A 58 -1.056 -3.835 3.745 1.00 0.00 C ATOM 859 CG LEU A 58 -1.877 -4.354 2.564 1.00 0.00 C ATOM 860 CD1 LEU A 58 -1.113 -4.172 1.262 1.00 0.00 C ATOM 861 CD2 LEU A 58 -2.243 -5.817 2.770 1.00 0.00 C ATOM 0 H LEU A 58 -2.936 -2.242 4.417 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.026 -4.860 5.367 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.741 -2.815 3.523 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.151 -4.438 3.825 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.799 -3.775 2.505 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.713 -4.547 0.433 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.903 -3.114 1.108 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.175 -4.725 1.310 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.827 -6.169 1.920 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.333 -6.411 2.856 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.831 -5.920 3.682 1.00 0.00 H new ATOM 873 N ARG A 59 -0.152 -4.198 6.884 1.00 0.00 N ATOM 874 CA ARG A 59 0.777 -3.809 7.938 1.00 0.00 C ATOM 875 C ARG A 59 2.220 -3.890 7.447 1.00 0.00 C ATOM 876 O ARG A 59 2.490 -4.416 6.367 1.00 0.00 O ATOM 877 CB ARG A 59 0.594 -4.704 9.165 1.00 0.00 C ATOM 878 CG ARG A 59 -0.561 -4.283 10.058 1.00 0.00 C ATOM 879 CD ARG A 59 -0.081 -3.439 11.229 1.00 0.00 C ATOM 880 NE ARG A 59 0.443 -4.260 12.317 1.00 0.00 N ATOM 881 CZ ARG A 59 1.029 -3.760 13.398 1.00 0.00 C ATOM 882 NH1 ARG A 59 1.165 -2.448 13.536 1.00 0.00 N ATOM 883 NH2 ARG A 59 1.481 -4.572 14.346 1.00 0.00 N ATOM 0 H ARG A 59 -0.237 -5.205 6.747 1.00 0.00 H new ATOM 0 HA ARG A 59 0.562 -2.777 8.215 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.432 -5.730 8.835 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.514 -4.699 9.749 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -1.287 -3.717 9.474 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -1.074 -5.169 10.433 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.694 -2.752 10.887 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.906 -2.830 11.599 1.00 0.00 H new ATOM 0 HE ARG A 59 0.354 -5.273 12.242 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.819 -1.820 12.810 1.00 0.00 H new ATOM 0 HH12 ARG A 59 1.616 -2.067 14.368 1.00 0.00 H new ATOM 0 HH21 ARG A 59 1.378 -5.582 14.244 1.00 0.00 H new ATOM 0 HH22 ARG A 59 1.931 -4.186 15.176 1.00 0.00 H new ATOM 897 N ASP A 60 3.142 -3.365 8.246 1.00 0.00 N ATOM 898 CA ASP A 60 4.557 -3.377 7.894 1.00 0.00 C ATOM 899 C ASP A 60 5.346 -4.271 8.846 1.00 0.00 C ATOM 900 O ASP A 60 5.145 -4.232 10.059 1.00 0.00 O ATOM 901 CB ASP A 60 5.124 -1.957 7.920 1.00 0.00 C ATOM 902 CG ASP A 60 5.003 -1.310 9.285 1.00 0.00 C ATOM 903 OD1 ASP A 60 3.869 -0.973 9.684 1.00 0.00 O ATOM 904 OD2 ASP A 60 6.043 -1.141 9.956 1.00 0.00 O ATOM 0 H ASP A 60 2.935 -2.925 9.143 1.00 0.00 H new ATOM 0 HA ASP A 60 4.651 -3.778 6.885 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.173 -1.982 7.625 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.601 -1.346 7.184 1.00 0.00 H new ATOM 909 N GLY A 61 6.243 -5.076 8.287 1.00 0.00 N ATOM 910 CA GLY A 61 7.048 -5.969 9.101 1.00 0.00 C ATOM 911 C GLY A 61 6.597 -7.412 8.998 1.00 0.00 C ATOM 912 O GLY A 61 5.637 -7.721 8.292 1.00 0.00 O ATOM 0 H GLY A 61 6.427 -5.126 7.285 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.091 -5.895 8.793 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.999 -5.650 10.142 1.00 0.00 H new ATOM 916 N ASP A 62 7.291 -8.299 9.703 1.00 0.00 N ATOM 917 CA ASP A 62 6.957 -9.718 9.687 1.00 0.00 C ATOM 918 C ASP A 62 7.270 -10.336 8.328 1.00 0.00 C ATOM 919 O ASP A 62 8.263 -11.047 8.173 1.00 0.00 O ATOM 920 CB ASP A 62 5.478 -9.920 10.024 1.00 0.00 C ATOM 921 CG ASP A 62 5.278 -10.652 11.336 1.00 0.00 C ATOM 922 OD1 ASP A 62 5.321 -9.992 12.395 1.00 0.00 O ATOM 923 OD2 ASP A 62 5.078 -11.884 11.304 1.00 0.00 O ATOM 0 H ASP A 62 8.088 -8.060 10.293 1.00 0.00 H new ATOM 0 HA ASP A 62 7.566 -10.217 10.441 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.984 -8.950 10.074 1.00 0.00 H new ATOM 0 HB3 ASP A 62 4.999 -10.481 9.222 1.00 0.00 H new ATOM 928 N ARG A 63 6.417 -10.060 7.347 1.00 0.00 N ATOM 929 CA ARG A 63 6.602 -10.590 6.002 1.00 0.00 C ATOM 930 C ARG A 63 6.420 -9.494 4.956 1.00 0.00 C ATOM 931 O ARG A 63 6.403 -9.765 3.754 1.00 0.00 O ATOM 932 CB ARG A 63 5.615 -11.729 5.739 1.00 0.00 C ATOM 933 CG ARG A 63 6.249 -13.110 5.798 1.00 0.00 C ATOM 934 CD ARG A 63 5.206 -14.207 5.655 1.00 0.00 C ATOM 935 NE ARG A 63 5.809 -15.538 5.651 1.00 0.00 N ATOM 936 CZ ARG A 63 6.192 -16.174 6.752 1.00 0.00 C ATOM 937 NH1 ARG A 63 6.035 -15.606 7.939 1.00 0.00 N ATOM 938 NH2 ARG A 63 6.733 -17.383 6.667 1.00 0.00 N ATOM 0 H ARG A 63 5.591 -9.472 7.459 1.00 0.00 H new ATOM 0 HA ARG A 63 7.619 -10.975 5.927 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.809 -11.677 6.471 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.163 -11.588 4.757 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.991 -13.206 5.005 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.777 -13.229 6.744 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.490 -14.136 6.474 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.648 -14.059 4.730 1.00 0.00 H new ATOM 0 HE ARG A 63 5.943 -16.004 4.754 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.619 -14.677 8.009 1.00 0.00 H new ATOM 0 HH12 ARG A 63 6.330 -16.097 8.783 1.00 0.00 H new ATOM 0 HH21 ARG A 63 6.855 -17.824 5.755 1.00 0.00 H new ATOM 0 HH22 ARG A 63 7.027 -17.871 7.513 1.00 0.00 H new ATOM 952 N HIS A 64 6.285 -8.256 5.420 1.00 0.00 N ATOM 953 CA HIS A 64 6.104 -7.119 4.525 1.00 0.00 C ATOM 954 C HIS A 64 7.124 -6.024 4.824 1.00 0.00 C ATOM 955 O HIS A 64 7.620 -5.915 5.946 1.00 0.00 O ATOM 956 CB HIS A 64 4.687 -6.560 4.655 1.00 0.00 C ATOM 957 CG HIS A 64 3.621 -7.527 4.236 1.00 0.00 C ATOM 958 ND1 HIS A 64 3.339 -8.684 4.931 1.00 0.00 N ATOM 959 CD2 HIS A 64 2.767 -7.502 3.187 1.00 0.00 C ATOM 960 CE1 HIS A 64 2.358 -9.329 4.327 1.00 0.00 C ATOM 961 NE2 HIS A 64 1.992 -8.633 3.266 1.00 0.00 N ATOM 0 H HIS A 64 6.298 -8.015 6.411 1.00 0.00 H new ATOM 0 HA HIS A 64 6.257 -7.466 3.503 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.514 -6.268 5.691 1.00 0.00 H new ATOM 0 HB3 HIS A 64 4.605 -5.657 4.051 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.706 -6.735 2.429 1.00 0.00 H new ATOM 0 HE1 HIS A 64 1.928 -10.267 4.646 1.00 0.00 H new ATOM 0 HE2 HIS A 64 1.254 -8.893 2.612 1.00 0.00 H new ATOM 969 N SER A 65 7.433 -5.218 3.814 1.00 0.00 N ATOM 970 CA SER A 65 8.397 -4.135 3.968 1.00 0.00 C ATOM 971 C SER A 65 7.873 -2.847 3.339 1.00 0.00 C ATOM 972 O SER A 65 7.813 -2.721 2.115 1.00 0.00 O ATOM 973 CB SER A 65 9.734 -4.520 3.332 1.00 0.00 C ATOM 974 OG SER A 65 10.679 -4.897 4.319 1.00 0.00 O ATOM 0 H SER A 65 7.030 -5.294 2.880 1.00 0.00 H new ATOM 0 HA SER A 65 8.546 -3.963 5.034 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.584 -5.344 2.634 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.121 -3.680 2.755 1.00 0.00 H new ATOM 0 HG SER A 65 11.524 -5.140 3.887 1.00 0.00 H new ATOM 980 N LEU A 66 7.496 -1.894 4.184 1.00 0.00 N ATOM 981 CA LEU A 66 6.977 -0.615 3.712 1.00 0.00 C ATOM 982 C LEU A 66 8.058 0.460 3.754 1.00 0.00 C ATOM 983 O LEU A 66 8.657 0.712 4.800 1.00 0.00 O ATOM 984 CB LEU A 66 5.780 -0.184 4.560 1.00 0.00 C ATOM 985 CG LEU A 66 4.447 -0.859 4.234 1.00 0.00 C ATOM 986 CD1 LEU A 66 4.427 -2.284 4.763 1.00 0.00 C ATOM 987 CD2 LEU A 66 3.288 -0.058 4.809 1.00 0.00 C ATOM 0 H LEU A 66 7.540 -1.983 5.199 1.00 0.00 H new ATOM 0 HA LEU A 66 6.655 -0.741 2.678 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.015 -0.376 5.607 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.654 0.893 4.453 1.00 0.00 H new ATOM 0 HG LEU A 66 4.335 -0.894 3.150 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.471 -2.748 4.522 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.234 -2.854 4.303 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.562 -2.273 5.845 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.348 -0.554 4.567 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.394 0.010 5.892 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.291 0.944 4.381 1.00 0.00 H new ATOM 999 N ARG A 67 8.302 1.092 2.610 1.00 0.00 N ATOM 1000 CA ARG A 67 9.310 2.141 2.516 1.00 0.00 C ATOM 1001 C ARG A 67 8.709 3.423 1.948 1.00 0.00 C ATOM 1002 O ARG A 67 7.747 3.382 1.181 1.00 0.00 O ATOM 1003 CB ARG A 67 10.477 1.680 1.641 1.00 0.00 C ATOM 1004 CG ARG A 67 10.993 0.294 1.995 1.00 0.00 C ATOM 1005 CD ARG A 67 12.459 0.135 1.625 1.00 0.00 C ATOM 1006 NE ARG A 67 13.325 0.982 2.442 1.00 0.00 N ATOM 1007 CZ ARG A 67 14.642 1.052 2.288 1.00 0.00 C ATOM 1008 NH1 ARG A 67 15.243 0.329 1.352 1.00 0.00 N ATOM 1009 NH2 ARG A 67 15.362 1.846 3.070 1.00 0.00 N ATOM 0 H ARG A 67 7.815 0.896 1.735 1.00 0.00 H new ATOM 0 HA ARG A 67 9.678 2.347 3.521 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.162 1.686 0.597 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.293 2.397 1.732 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.865 0.119 3.063 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.401 -0.460 1.475 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.753 -0.908 1.747 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.596 0.384 0.573 1.00 0.00 H new ATOM 0 HE ARG A 67 12.894 1.551 3.171 1.00 0.00 H new ATOM 0 HH11 ARG A 67 14.693 -0.283 0.749 1.00 0.00 H new ATOM 0 HH12 ARG A 67 16.255 0.385 1.236 1.00 0.00 H new ATOM 0 HH21 ARG A 67 14.904 2.404 3.791 1.00 0.00 H new ATOM 0 HH22 ARG A 67 16.374 1.899 2.950 1.00 0.00 H new ATOM 1023 N GLN A 68 9.284 4.559 2.329 1.00 0.00 N ATOM 1024 CA GLN A 68 8.804 5.853 1.857 1.00 0.00 C ATOM 1025 C GLN A 68 9.950 6.854 1.753 1.00 0.00 C ATOM 1026 O GLN A 68 10.667 7.095 2.724 1.00 0.00 O ATOM 1027 CB GLN A 68 7.723 6.393 2.796 1.00 0.00 C ATOM 1028 CG GLN A 68 6.602 7.124 2.076 1.00 0.00 C ATOM 1029 CD GLN A 68 5.855 8.083 2.982 1.00 0.00 C ATOM 1030 OE1 GLN A 68 5.780 7.880 4.194 1.00 0.00 O ATOM 1031 NE2 GLN A 68 5.298 9.138 2.397 1.00 0.00 N ATOM 0 H GLN A 68 10.082 4.610 2.962 1.00 0.00 H new ATOM 0 HA GLN A 68 8.377 5.714 0.864 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.299 5.564 3.364 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.184 7.070 3.516 1.00 0.00 H new ATOM 0 HG2 GLN A 68 7.016 7.676 1.232 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.902 6.395 1.668 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.385 9.267 1.389 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.784 9.819 2.956 1.00 0.00 H new ATOM 1040 N ASP A 69 10.117 7.433 0.569 1.00 0.00 N ATOM 1041 CA ASP A 69 11.176 8.409 0.338 1.00 0.00 C ATOM 1042 C ASP A 69 10.621 9.665 -0.326 1.00 0.00 C ATOM 1043 O ASP A 69 10.698 9.821 -1.544 1.00 0.00 O ATOM 1044 CB ASP A 69 12.277 7.801 -0.531 1.00 0.00 C ATOM 1045 CG ASP A 69 13.149 6.826 0.236 1.00 0.00 C ATOM 1046 OD1 ASP A 69 13.604 7.182 1.343 1.00 0.00 O ATOM 1047 OD2 ASP A 69 13.375 5.708 -0.270 1.00 0.00 O ATOM 0 H ASP A 69 9.533 7.244 -0.245 1.00 0.00 H new ATOM 0 HA ASP A 69 11.598 8.687 1.304 1.00 0.00 H new ATOM 0 HB2 ASP A 69 11.824 7.289 -1.380 1.00 0.00 H new ATOM 0 HB3 ASP A 69 12.899 8.600 -0.935 1.00 0.00 H new ATOM 1052 N GLY A 70 10.061 10.559 0.484 1.00 0.00 N ATOM 1053 CA GLY A 70 9.501 11.789 -0.044 1.00 0.00 C ATOM 1054 C GLY A 70 8.198 11.562 -0.784 1.00 0.00 C ATOM 1055 O GLY A 70 7.124 11.582 -0.184 1.00 0.00 O ATOM 0 H GLY A 70 9.985 10.453 1.496 1.00 0.00 H new ATOM 0 HA2 GLY A 70 9.333 12.489 0.775 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.222 12.253 -0.717 1.00 0.00 H new ATOM 1059 N ALA A 71 8.292 11.348 -2.093 1.00 0.00 N ATOM 1060 CA ALA A 71 7.112 11.116 -2.916 1.00 0.00 C ATOM 1061 C ALA A 71 7.109 9.702 -3.486 1.00 0.00 C ATOM 1062 O ALA A 71 6.052 9.140 -3.770 1.00 0.00 O ATOM 1063 CB ALA A 71 7.043 12.140 -4.039 1.00 0.00 C ATOM 0 H ALA A 71 9.174 11.331 -2.606 1.00 0.00 H new ATOM 0 HA ALA A 71 6.231 11.226 -2.284 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.157 11.955 -4.646 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.989 13.142 -3.614 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.933 12.057 -4.662 1.00 0.00 H new ATOM 1069 N ARG A 72 8.299 9.133 -3.650 1.00 0.00 N ATOM 1070 CA ARG A 72 8.433 7.784 -4.187 1.00 0.00 C ATOM 1071 C ARG A 72 8.103 6.740 -3.125 1.00 0.00 C ATOM 1072 O ARG A 72 8.869 6.535 -2.183 1.00 0.00 O ATOM 1073 CB ARG A 72 9.852 7.561 -4.714 1.00 0.00 C ATOM 1074 CG ARG A 72 9.979 7.743 -6.218 1.00 0.00 C ATOM 1075 CD ARG A 72 11.348 7.308 -6.718 1.00 0.00 C ATOM 1076 NE ARG A 72 11.432 7.334 -8.175 1.00 0.00 N ATOM 1077 CZ ARG A 72 12.560 7.142 -8.850 1.00 0.00 C ATOM 1078 NH1 ARG A 72 13.693 6.910 -8.201 1.00 0.00 N ATOM 1079 NH2 ARG A 72 12.556 7.181 -10.176 1.00 0.00 N ATOM 0 H ARG A 72 9.184 9.585 -3.419 1.00 0.00 H new ATOM 0 HA ARG A 72 7.726 7.676 -5.009 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.529 8.254 -4.214 1.00 0.00 H new ATOM 0 HB3 ARG A 72 10.174 6.554 -4.450 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.205 7.164 -6.722 1.00 0.00 H new ATOM 0 HG3 ARG A 72 9.812 8.789 -6.474 1.00 0.00 H new ATOM 0 HD2 ARG A 72 12.112 7.963 -6.299 1.00 0.00 H new ATOM 0 HD3 ARG A 72 11.561 6.301 -6.361 1.00 0.00 H new ATOM 0 HE ARG A 72 10.578 7.509 -8.704 1.00 0.00 H new ATOM 0 HH11 ARG A 72 13.700 6.879 -7.182 1.00 0.00 H new ATOM 0 HH12 ARG A 72 14.558 6.763 -8.721 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.686 7.359 -10.678 1.00 0.00 H new ATOM 0 HH22 ARG A 72 13.423 7.033 -10.693 1.00 0.00 H new ATOM 1093 N CYS A 73 6.959 6.083 -3.283 1.00 0.00 N ATOM 1094 CA CYS A 73 6.527 5.061 -2.337 1.00 0.00 C ATOM 1095 C CYS A 73 6.626 3.670 -2.956 1.00 0.00 C ATOM 1096 O CYS A 73 6.666 3.526 -4.177 1.00 0.00 O ATOM 1097 CB CYS A 73 5.091 5.330 -1.884 1.00 0.00 C ATOM 1098 SG CYS A 73 4.792 7.031 -1.350 1.00 0.00 S ATOM 0 H CYS A 73 6.314 6.240 -4.058 1.00 0.00 H new ATOM 0 HA CYS A 73 7.187 5.101 -1.470 1.00 0.00 H new ATOM 0 HB2 CYS A 73 4.412 5.093 -2.704 1.00 0.00 H new ATOM 0 HB3 CYS A 73 4.848 4.655 -1.064 1.00 0.00 H new ATOM 0 HG CYS A 73 5.258 7.854 -2.242 1.00 0.00 H new ATOM 1104 N GLU A 74 6.666 2.651 -2.104 1.00 0.00 N ATOM 1105 CA GLU A 74 6.763 1.272 -2.569 1.00 0.00 C ATOM 1106 C GLU A 74 6.370 0.296 -1.463 1.00 0.00 C ATOM 1107 O GLU A 74 6.274 0.671 -0.294 1.00 0.00 O ATOM 1108 CB GLU A 74 8.185 0.970 -3.047 1.00 0.00 C ATOM 1109 CG GLU A 74 9.232 1.081 -1.952 1.00 0.00 C ATOM 1110 CD GLU A 74 10.643 1.165 -2.501 1.00 0.00 C ATOM 1111 OE1 GLU A 74 11.015 0.299 -3.320 1.00 0.00 O ATOM 1112 OE2 GLU A 74 11.376 2.098 -2.110 1.00 0.00 O ATOM 0 H GLU A 74 6.633 2.754 -1.090 1.00 0.00 H new ATOM 0 HA GLU A 74 6.072 1.148 -3.403 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.213 -0.037 -3.464 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.441 1.656 -3.854 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.028 1.965 -1.348 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.154 0.218 -1.291 1.00 0.00 H new ATOM 1119 N LEU A 75 6.142 -0.956 -1.841 1.00 0.00 N ATOM 1120 CA LEU A 75 5.757 -1.987 -0.883 1.00 0.00 C ATOM 1121 C LEU A 75 6.332 -3.343 -1.282 1.00 0.00 C ATOM 1122 O LEU A 75 5.898 -3.947 -2.262 1.00 0.00 O ATOM 1123 CB LEU A 75 4.234 -2.076 -0.783 1.00 0.00 C ATOM 1124 CG LEU A 75 3.678 -3.315 -0.080 1.00 0.00 C ATOM 1125 CD1 LEU A 75 4.236 -3.423 1.331 1.00 0.00 C ATOM 1126 CD2 LEU A 75 2.157 -3.275 -0.052 1.00 0.00 C ATOM 0 H LEU A 75 6.217 -1.283 -2.804 1.00 0.00 H new ATOM 0 HA LEU A 75 6.163 -1.713 0.091 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.872 -1.192 -0.258 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.821 -2.039 -1.791 1.00 0.00 H new ATOM 0 HG LEU A 75 3.988 -4.197 -0.640 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.829 -4.310 1.816 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.323 -3.499 1.288 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.956 -2.537 1.902 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.779 -4.164 0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.826 -2.386 0.485 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.775 -3.246 -1.072 1.00 0.00 H new ATOM 1138 N GLN A 76 7.308 -3.815 -0.514 1.00 0.00 N ATOM 1139 CA GLN A 76 7.941 -5.100 -0.786 1.00 0.00 C ATOM 1140 C GLN A 76 7.235 -6.224 -0.036 1.00 0.00 C ATOM 1141 O GLN A 76 6.768 -6.036 1.088 1.00 0.00 O ATOM 1142 CB GLN A 76 9.419 -5.058 -0.394 1.00 0.00 C ATOM 1143 CG GLN A 76 10.130 -6.392 -0.559 1.00 0.00 C ATOM 1144 CD GLN A 76 11.554 -6.237 -1.054 1.00 0.00 C ATOM 1145 OE1 GLN A 76 11.870 -5.299 -1.787 1.00 0.00 O ATOM 1146 NE2 GLN A 76 12.423 -7.158 -0.656 1.00 0.00 N ATOM 0 H GLN A 76 7.678 -3.327 0.302 1.00 0.00 H new ATOM 0 HA GLN A 76 7.862 -5.296 -1.855 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.926 -4.308 -1.001 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.502 -4.737 0.644 1.00 0.00 H new ATOM 0 HG2 GLN A 76 10.137 -6.916 0.397 1.00 0.00 H new ATOM 0 HG3 GLN A 76 9.571 -7.013 -1.259 1.00 0.00 H new ATOM 0 HE21 GLN A 76 12.118 -7.918 -0.048 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.396 -7.105 -0.958 1.00 0.00 H new ATOM 1155 N ILE A 77 7.161 -7.393 -0.664 1.00 0.00 N ATOM 1156 CA ILE A 77 6.512 -8.547 -0.055 1.00 0.00 C ATOM 1157 C ILE A 77 7.335 -9.814 -0.264 1.00 0.00 C ATOM 1158 O ILE A 77 7.374 -10.366 -1.364 1.00 0.00 O ATOM 1159 CB ILE A 77 5.099 -8.766 -0.627 1.00 0.00 C ATOM 1160 CG1 ILE A 77 4.236 -7.522 -0.403 1.00 0.00 C ATOM 1161 CG2 ILE A 77 4.453 -9.987 0.010 1.00 0.00 C ATOM 1162 CD1 ILE A 77 2.998 -7.482 -1.270 1.00 0.00 C ATOM 0 H ILE A 77 7.543 -7.566 -1.594 1.00 0.00 H new ATOM 0 HA ILE A 77 6.434 -8.338 1.012 1.00 0.00 H new ATOM 0 HB ILE A 77 5.180 -8.940 -1.700 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.938 -7.480 0.645 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.836 -6.633 -0.599 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.455 -10.129 -0.405 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.060 -10.869 -0.196 1.00 0.00 H new ATOM 0 HG23 ILE A 77 4.381 -9.840 1.088 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.435 -6.573 -1.058 1.00 0.00 H new ATOM 0 HD12 ILE A 77 3.289 -7.492 -2.320 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.377 -8.352 -1.057 1.00 0.00 H new ATOM 1174 N ARG A 78 7.989 -10.270 0.798 1.00 0.00 N ATOM 1175 CA ARG A 78 8.811 -11.473 0.732 1.00 0.00 C ATOM 1176 C ARG A 78 7.985 -12.714 1.056 1.00 0.00 C ATOM 1177 O ARG A 78 7.058 -12.662 1.863 1.00 0.00 O ATOM 1178 CB ARG A 78 9.991 -11.365 1.699 1.00 0.00 C ATOM 1179 CG ARG A 78 11.327 -11.148 1.008 1.00 0.00 C ATOM 1180 CD ARG A 78 11.993 -12.470 0.657 1.00 0.00 C ATOM 1181 NE ARG A 78 13.069 -12.804 1.586 1.00 0.00 N ATOM 1182 CZ ARG A 78 13.656 -13.995 1.632 1.00 0.00 C ATOM 1183 NH1 ARG A 78 13.274 -14.959 0.806 1.00 0.00 N ATOM 1184 NH2 ARG A 78 14.628 -14.223 2.506 1.00 0.00 N ATOM 0 H ARG A 78 7.966 -9.825 1.715 1.00 0.00 H new ATOM 0 HA ARG A 78 9.192 -11.567 -0.285 1.00 0.00 H new ATOM 0 HB2 ARG A 78 9.810 -10.541 2.389 1.00 0.00 H new ATOM 0 HB3 ARG A 78 10.044 -12.275 2.297 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.178 -10.562 0.101 1.00 0.00 H new ATOM 0 HG3 ARG A 78 11.984 -10.569 1.657 1.00 0.00 H new ATOM 0 HD2 ARG A 78 11.247 -13.265 0.665 1.00 0.00 H new ATOM 0 HD3 ARG A 78 12.392 -12.417 -0.356 1.00 0.00 H new ATOM 0 HE ARG A 78 13.387 -12.084 2.235 1.00 0.00 H new ATOM 0 HH11 ARG A 78 12.527 -14.787 0.133 1.00 0.00 H new ATOM 0 HH12 ARG A 78 13.727 -15.872 0.844 1.00 0.00 H new ATOM 0 HH21 ARG A 78 14.925 -13.484 3.143 1.00 0.00 H new ATOM 0 HH22 ARG A 78 15.078 -15.138 2.541 1.00 0.00 H new ATOM 1198 N GLY A 79 8.329 -13.831 0.421 1.00 0.00 N ATOM 1199 CA GLY A 79 7.610 -15.069 0.655 1.00 0.00 C ATOM 1200 C GLY A 79 6.277 -15.111 -0.066 1.00 0.00 C ATOM 1201 O GLY A 79 5.235 -15.333 0.551 1.00 0.00 O ATOM 0 H GLY A 79 9.093 -13.900 -0.251 1.00 0.00 H new ATOM 0 HA2 GLY A 79 8.223 -15.909 0.328 1.00 0.00 H new ATOM 0 HA3 GLY A 79 7.445 -15.193 1.725 1.00 0.00 H new ATOM 1205 N LEU A 80 6.309 -14.895 -1.377 1.00 0.00 N ATOM 1206 CA LEU A 80 5.094 -14.907 -2.184 1.00 0.00 C ATOM 1207 C LEU A 80 4.394 -16.259 -2.094 1.00 0.00 C ATOM 1208 O LEU A 80 4.950 -17.224 -1.570 1.00 0.00 O ATOM 1209 CB LEU A 80 5.423 -14.587 -3.643 1.00 0.00 C ATOM 1210 CG LEU A 80 5.404 -13.106 -4.026 1.00 0.00 C ATOM 1211 CD1 LEU A 80 5.888 -12.919 -5.455 1.00 0.00 C ATOM 1212 CD2 LEU A 80 4.007 -12.529 -3.853 1.00 0.00 C ATOM 0 H LEU A 80 7.163 -14.710 -1.903 1.00 0.00 H new ATOM 0 HA LEU A 80 4.421 -14.143 -1.794 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.412 -14.987 -3.868 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.713 -15.115 -4.279 1.00 0.00 H new ATOM 0 HG LEU A 80 6.081 -12.569 -3.362 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.868 -11.860 -5.710 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.907 -13.295 -5.546 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.237 -13.468 -6.135 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.012 -11.475 -4.130 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.309 -13.069 -4.492 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.698 -12.629 -2.812 1.00 0.00 H new ATOM 1224 N VAL A 81 3.170 -16.322 -2.610 1.00 0.00 N ATOM 1225 CA VAL A 81 2.395 -17.557 -2.591 1.00 0.00 C ATOM 1226 C VAL A 81 1.247 -17.500 -3.592 1.00 0.00 C ATOM 1227 O VAL A 81 1.317 -18.096 -4.667 1.00 0.00 O ATOM 1228 CB VAL A 81 1.826 -17.841 -1.189 1.00 0.00 C ATOM 1229 CG1 VAL A 81 2.660 -18.894 -0.476 1.00 0.00 C ATOM 1230 CG2 VAL A 81 1.759 -16.559 -0.372 1.00 0.00 C ATOM 0 H VAL A 81 2.694 -15.532 -3.046 1.00 0.00 H new ATOM 0 HA VAL A 81 3.075 -18.362 -2.868 1.00 0.00 H new ATOM 0 HB VAL A 81 0.813 -18.229 -1.299 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.242 -19.081 0.513 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.651 -19.818 -1.054 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.686 -18.539 -0.375 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.354 -16.778 0.616 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.760 -16.140 -0.270 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.114 -15.839 -0.877 1.00 0.00 H new ATOM 1240 N ALA A 82 0.190 -16.780 -3.232 1.00 0.00 N ATOM 1241 CA ALA A 82 -0.973 -16.643 -4.100 1.00 0.00 C ATOM 1242 C ALA A 82 -2.041 -15.768 -3.452 1.00 0.00 C ATOM 1243 O ALA A 82 -2.752 -15.032 -4.137 1.00 0.00 O ATOM 1244 CB ALA A 82 -1.544 -18.012 -4.437 1.00 0.00 C ATOM 0 H ALA A 82 0.115 -16.282 -2.345 1.00 0.00 H new ATOM 0 HA ALA A 82 -0.652 -16.158 -5.022 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.412 -17.895 -5.086 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -0.787 -18.606 -4.948 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.843 -18.518 -3.519 1.00 0.00 H new ATOM 1250 N GLU A 83 -2.148 -15.853 -2.130 1.00 0.00 N ATOM 1251 CA GLU A 83 -3.131 -15.069 -1.392 1.00 0.00 C ATOM 1252 C GLU A 83 -2.844 -13.575 -1.521 1.00 0.00 C ATOM 1253 O GLU A 83 -3.759 -12.752 -1.491 1.00 0.00 O ATOM 1254 CB GLU A 83 -3.134 -15.472 0.084 1.00 0.00 C ATOM 1255 CG GLU A 83 -4.138 -16.563 0.415 1.00 0.00 C ATOM 1256 CD GLU A 83 -5.528 -16.017 0.677 1.00 0.00 C ATOM 1257 OE1 GLU A 83 -5.728 -15.384 1.735 1.00 0.00 O ATOM 1258 OE2 GLU A 83 -6.417 -16.222 -0.177 1.00 0.00 O ATOM 0 H GLU A 83 -1.567 -16.456 -1.548 1.00 0.00 H new ATOM 0 HA GLU A 83 -4.113 -15.272 -1.819 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.136 -15.812 0.361 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -3.351 -14.593 0.691 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -4.181 -17.274 -0.410 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -3.796 -17.112 1.292 1.00 0.00 H new ATOM 1265 N ASP A 84 -1.568 -13.234 -1.665 1.00 0.00 N ATOM 1266 CA ASP A 84 -1.160 -11.841 -1.800 1.00 0.00 C ATOM 1267 C ASP A 84 -1.735 -11.227 -3.072 1.00 0.00 C ATOM 1268 O ASP A 84 -1.954 -10.018 -3.145 1.00 0.00 O ATOM 1269 CB ASP A 84 0.366 -11.734 -1.812 1.00 0.00 C ATOM 1270 CG ASP A 84 0.986 -12.148 -0.492 1.00 0.00 C ATOM 1271 OD1 ASP A 84 1.296 -13.347 -0.333 1.00 0.00 O ATOM 1272 OD2 ASP A 84 1.159 -11.273 0.383 1.00 0.00 O ATOM 0 H ASP A 84 -0.799 -13.903 -1.691 1.00 0.00 H new ATOM 0 HA ASP A 84 -1.549 -11.289 -0.944 1.00 0.00 H new ATOM 0 HB2 ASP A 84 0.765 -12.361 -2.610 1.00 0.00 H new ATOM 0 HB3 ASP A 84 0.654 -10.707 -2.039 1.00 0.00 H new ATOM 1277 N ALA A 85 -1.977 -12.068 -4.073 1.00 0.00 N ATOM 1278 CA ALA A 85 -2.527 -11.608 -5.341 1.00 0.00 C ATOM 1279 C ALA A 85 -3.909 -10.992 -5.149 1.00 0.00 C ATOM 1280 O ALA A 85 -4.804 -11.616 -4.580 1.00 0.00 O ATOM 1281 CB ALA A 85 -2.593 -12.757 -6.336 1.00 0.00 C ATOM 0 H ALA A 85 -1.800 -13.072 -4.029 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.866 -10.837 -5.737 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.006 -12.399 -7.279 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.590 -13.150 -6.505 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.230 -13.547 -5.938 1.00 0.00 H new ATOM 1287 N GLY A 86 -4.076 -9.762 -5.627 1.00 0.00 N ATOM 1288 CA GLY A 86 -5.351 -9.082 -5.497 1.00 0.00 C ATOM 1289 C GLY A 86 -5.291 -7.642 -5.965 1.00 0.00 C ATOM 1290 O GLY A 86 -4.431 -7.279 -6.767 1.00 0.00 O ATOM 0 H GLY A 86 -3.351 -9.225 -6.102 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.105 -9.617 -6.074 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.669 -9.109 -4.455 1.00 0.00 H new ATOM 1294 N GLU A 87 -6.207 -6.819 -5.464 1.00 0.00 N ATOM 1295 CA GLU A 87 -6.255 -5.411 -5.839 1.00 0.00 C ATOM 1296 C GLU A 87 -5.557 -4.546 -4.794 1.00 0.00 C ATOM 1297 O GLU A 87 -6.080 -4.331 -3.700 1.00 0.00 O ATOM 1298 CB GLU A 87 -7.706 -4.955 -6.009 1.00 0.00 C ATOM 1299 CG GLU A 87 -7.841 -3.512 -6.465 1.00 0.00 C ATOM 1300 CD GLU A 87 -9.286 -3.060 -6.553 1.00 0.00 C ATOM 1301 OE1 GLU A 87 -10.070 -3.402 -5.643 1.00 0.00 O ATOM 1302 OE2 GLU A 87 -9.632 -2.366 -7.531 1.00 0.00 O ATOM 0 H GLU A 87 -6.925 -7.103 -4.798 1.00 0.00 H new ATOM 0 HA GLU A 87 -5.732 -5.296 -6.788 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.199 -5.604 -6.733 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.230 -5.078 -5.061 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.303 -2.864 -5.772 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.368 -3.398 -7.441 1.00 0.00 H new ATOM 1309 N TYR A 88 -4.374 -4.052 -5.138 1.00 0.00 N ATOM 1310 CA TYR A 88 -3.602 -3.212 -4.230 1.00 0.00 C ATOM 1311 C TYR A 88 -4.012 -1.748 -4.359 1.00 0.00 C ATOM 1312 O TYR A 88 -3.942 -1.165 -5.442 1.00 0.00 O ATOM 1313 CB TYR A 88 -2.106 -3.361 -4.511 1.00 0.00 C ATOM 1314 CG TYR A 88 -1.504 -4.622 -3.935 1.00 0.00 C ATOM 1315 CD1 TYR A 88 -1.712 -5.855 -4.542 1.00 0.00 C ATOM 1316 CD2 TYR A 88 -0.727 -4.583 -2.783 1.00 0.00 C ATOM 1317 CE1 TYR A 88 -1.165 -7.011 -4.019 1.00 0.00 C ATOM 1318 CE2 TYR A 88 -0.175 -5.733 -2.254 1.00 0.00 C ATOM 1319 CZ TYR A 88 -0.397 -6.944 -2.875 1.00 0.00 C ATOM 1320 OH TYR A 88 0.151 -8.093 -2.350 1.00 0.00 O ATOM 0 H TYR A 88 -3.928 -4.219 -6.040 1.00 0.00 H new ATOM 0 HA TYR A 88 -3.808 -3.539 -3.211 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -1.945 -3.351 -5.589 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.580 -2.498 -4.102 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.312 -5.910 -5.438 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -0.552 -3.637 -2.293 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.338 -7.961 -4.503 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.427 -5.684 -1.359 1.00 0.00 H new ATOM 0 HH TYR A 88 -0.436 -8.853 -2.543 1.00 0.00 H new ATOM 1330 N LEU A 89 -4.440 -1.160 -3.247 1.00 0.00 N ATOM 1331 CA LEU A 89 -4.861 0.236 -3.234 1.00 0.00 C ATOM 1332 C LEU A 89 -3.803 1.118 -2.580 1.00 0.00 C ATOM 1333 O LEU A 89 -2.896 0.623 -1.909 1.00 0.00 O ATOM 1334 CB LEU A 89 -6.191 0.381 -2.493 1.00 0.00 C ATOM 1335 CG LEU A 89 -7.320 1.064 -3.266 1.00 0.00 C ATOM 1336 CD1 LEU A 89 -8.660 0.432 -2.923 1.00 0.00 C ATOM 1337 CD2 LEU A 89 -7.342 2.557 -2.970 1.00 0.00 C ATOM 0 H LEU A 89 -4.504 -1.628 -2.343 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.990 0.560 -4.267 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -6.529 -0.612 -2.197 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -6.014 0.943 -1.576 1.00 0.00 H new ATOM 0 HG LEU A 89 -7.139 0.927 -4.332 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.451 0.931 -3.482 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.641 -0.626 -3.186 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.849 0.537 -1.855 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.152 3.027 -3.529 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.499 2.714 -1.903 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.392 3.001 -3.266 1.00 0.00 H new ATOM 1349 N CYS A 90 -3.925 2.426 -2.779 1.00 0.00 N ATOM 1350 CA CYS A 90 -2.979 3.378 -2.207 1.00 0.00 C ATOM 1351 C CYS A 90 -3.579 4.779 -2.160 1.00 0.00 C ATOM 1352 O CYS A 90 -3.385 5.579 -3.074 1.00 0.00 O ATOM 1353 CB CYS A 90 -1.683 3.392 -3.019 1.00 0.00 C ATOM 1354 SG CYS A 90 -0.286 4.159 -2.167 1.00 0.00 S ATOM 0 H CYS A 90 -4.669 2.851 -3.332 1.00 0.00 H new ATOM 0 HA CYS A 90 -2.757 3.063 -1.187 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -1.418 2.367 -3.278 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -1.859 3.922 -3.955 1.00 0.00 H new ATOM 0 HG CYS A 90 0.460 3.235 -1.638 1.00 0.00 H new ATOM 1360 N MET A 91 -4.311 5.068 -1.089 1.00 0.00 N ATOM 1361 CA MET A 91 -4.941 6.374 -0.924 1.00 0.00 C ATOM 1362 C MET A 91 -3.964 7.375 -0.314 1.00 0.00 C ATOM 1363 O MET A 91 -3.316 7.089 0.693 1.00 0.00 O ATOM 1364 CB MET A 91 -6.185 6.255 -0.041 1.00 0.00 C ATOM 1365 CG MET A 91 -7.104 5.112 -0.437 1.00 0.00 C ATOM 1366 SD MET A 91 -8.690 5.166 0.419 1.00 0.00 S ATOM 1367 CE MET A 91 -8.474 3.852 1.616 1.00 0.00 C ATOM 0 H MET A 91 -4.483 4.417 -0.323 1.00 0.00 H new ATOM 0 HA MET A 91 -5.236 6.735 -1.909 1.00 0.00 H new ATOM 0 HB2 MET A 91 -5.874 6.118 0.995 1.00 0.00 H new ATOM 0 HB3 MET A 91 -6.743 7.191 -0.085 1.00 0.00 H new ATOM 0 HG2 MET A 91 -7.275 5.145 -1.513 1.00 0.00 H new ATOM 0 HG3 MET A 91 -6.611 4.164 -0.221 1.00 0.00 H new ATOM 0 HE1 MET A 91 -9.399 3.714 2.176 1.00 0.00 H new ATOM 0 HE2 MET A 91 -8.221 2.926 1.099 1.00 0.00 H new ATOM 0 HE3 MET A 91 -7.670 4.115 2.303 1.00 0.00 H new ATOM 1377 N CYS A 92 -3.864 8.547 -0.931 1.00 0.00 N ATOM 1378 CA CYS A 92 -2.965 9.590 -0.450 1.00 0.00 C ATOM 1379 C CYS A 92 -3.677 10.937 -0.393 1.00 0.00 C ATOM 1380 O CYS A 92 -3.878 11.589 -1.417 1.00 0.00 O ATOM 1381 CB CYS A 92 -1.734 9.687 -1.352 1.00 0.00 C ATOM 1382 SG CYS A 92 -0.624 11.054 -0.940 1.00 0.00 S ATOM 0 H CYS A 92 -4.394 8.799 -1.765 1.00 0.00 H new ATOM 0 HA CYS A 92 -2.647 9.325 0.558 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -1.178 8.751 -1.292 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -2.062 9.798 -2.386 1.00 0.00 H new ATOM 0 HG CYS A 92 -0.532 11.164 0.352 1.00 0.00 H new ATOM 1388 N GLY A 93 -4.059 11.349 0.813 1.00 0.00 N ATOM 1389 CA GLY A 93 -4.747 12.616 0.981 1.00 0.00 C ATOM 1390 C GLY A 93 -6.170 12.577 0.460 1.00 0.00 C ATOM 1391 O GLY A 93 -7.101 12.256 1.199 1.00 0.00 O ATOM 0 H GLY A 93 -3.904 10.828 1.676 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.758 12.883 2.038 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.194 13.398 0.460 1.00 0.00 H new ATOM 1395 N LYS A 94 -6.341 12.906 -0.815 1.00 0.00 N ATOM 1396 CA LYS A 94 -7.661 12.908 -1.435 1.00 0.00 C ATOM 1397 C LYS A 94 -7.717 11.923 -2.599 1.00 0.00 C ATOM 1398 O LYS A 94 -8.669 11.155 -2.728 1.00 0.00 O ATOM 1399 CB LYS A 94 -8.014 14.314 -1.925 1.00 0.00 C ATOM 1400 CG LYS A 94 -8.827 15.119 -0.927 1.00 0.00 C ATOM 1401 CD LYS A 94 -10.286 14.697 -0.925 1.00 0.00 C ATOM 1402 CE LYS A 94 -11.209 15.883 -0.689 1.00 0.00 C ATOM 1403 NZ LYS A 94 -12.485 15.472 -0.040 1.00 0.00 N ATOM 0 H LYS A 94 -5.581 13.175 -1.440 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.388 12.598 -0.685 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.094 14.853 -2.150 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -8.573 14.235 -2.857 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.409 14.991 0.071 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.755 16.179 -1.169 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -10.531 14.228 -1.878 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -10.448 13.948 -0.150 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -10.703 16.618 -0.063 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -11.425 16.370 -1.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -13.086 16.308 0.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -12.980 14.790 -0.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -12.280 15.031 0.879 1.00 0.00 H new ATOM 1417 N GLU A 95 -6.689 11.952 -3.443 1.00 0.00 N ATOM 1418 CA GLU A 95 -6.623 11.060 -4.595 1.00 0.00 C ATOM 1419 C GLU A 95 -6.186 9.660 -4.175 1.00 0.00 C ATOM 1420 O GLU A 95 -5.612 9.473 -3.102 1.00 0.00 O ATOM 1421 CB GLU A 95 -5.656 11.616 -5.642 1.00 0.00 C ATOM 1422 CG GLU A 95 -6.141 12.897 -6.300 1.00 0.00 C ATOM 1423 CD GLU A 95 -7.471 12.722 -7.007 1.00 0.00 C ATOM 1424 OE1 GLU A 95 -7.505 12.020 -8.040 1.00 0.00 O ATOM 1425 OE2 GLU A 95 -8.477 13.286 -6.529 1.00 0.00 O ATOM 0 H GLU A 95 -5.892 12.582 -3.350 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.620 10.995 -5.030 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.691 11.803 -5.170 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.494 10.861 -6.411 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.236 13.676 -5.544 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.394 13.238 -7.017 1.00 0.00 H new ATOM 1432 N ARG A 96 -6.461 8.680 -5.029 1.00 0.00 N ATOM 1433 CA ARG A 96 -6.098 7.296 -4.746 1.00 0.00 C ATOM 1434 C ARG A 96 -5.928 6.504 -6.039 1.00 0.00 C ATOM 1435 O ARG A 96 -6.349 6.943 -7.110 1.00 0.00 O ATOM 1436 CB ARG A 96 -7.163 6.636 -3.868 1.00 0.00 C ATOM 1437 CG ARG A 96 -8.575 6.773 -4.416 1.00 0.00 C ATOM 1438 CD ARG A 96 -9.427 5.563 -4.069 1.00 0.00 C ATOM 1439 NE ARG A 96 -10.808 5.719 -4.516 1.00 0.00 N ATOM 1440 CZ ARG A 96 -11.671 4.713 -4.604 1.00 0.00 C ATOM 1441 NH1 ARG A 96 -11.297 3.484 -4.276 1.00 0.00 N ATOM 1442 NH2 ARG A 96 -12.912 4.936 -5.019 1.00 0.00 N ATOM 0 H ARG A 96 -6.934 8.818 -5.922 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.147 7.298 -4.213 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -6.926 5.578 -3.758 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -7.125 7.077 -2.872 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -9.038 7.673 -4.011 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -8.536 6.894 -5.499 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -8.996 4.673 -4.527 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -9.411 5.406 -2.991 1.00 0.00 H new ATOM 0 HE ARG A 96 -11.128 6.652 -4.775 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -10.345 3.309 -3.955 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -11.962 2.713 -4.344 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -13.204 5.880 -5.271 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -13.574 4.163 -5.086 1.00 0.00 H new ATOM 1456 N THR A 97 -5.305 5.334 -5.933 1.00 0.00 N ATOM 1457 CA THR A 97 -5.077 4.482 -7.093 1.00 0.00 C ATOM 1458 C THR A 97 -5.228 3.009 -6.731 1.00 0.00 C ATOM 1459 O THR A 97 -5.202 2.642 -5.556 1.00 0.00 O ATOM 1460 CB THR A 97 -3.676 4.710 -7.691 1.00 0.00 C ATOM 1461 OG1 THR A 97 -3.470 3.836 -8.806 1.00 0.00 O ATOM 1462 CG2 THR A 97 -2.596 4.470 -6.646 1.00 0.00 C ATOM 0 H THR A 97 -4.949 4.955 -5.055 1.00 0.00 H new ATOM 0 HA THR A 97 -5.829 4.751 -7.835 1.00 0.00 H new ATOM 0 HB THR A 97 -3.613 5.745 -8.026 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.748 4.187 -9.368 1.00 0.00 H new ATOM 0 HG21 THR A 97 -1.615 4.637 -7.091 1.00 0.00 H new ATOM 0 HG22 THR A 97 -2.738 5.157 -5.812 1.00 0.00 H new ATOM 0 HG23 THR A 97 -2.661 3.443 -6.285 1.00 0.00 H new ATOM 1470 N SER A 98 -5.386 2.167 -7.748 1.00 0.00 N ATOM 1471 CA SER A 98 -5.545 0.733 -7.536 1.00 0.00 C ATOM 1472 C SER A 98 -4.805 -0.059 -8.609 1.00 0.00 C ATOM 1473 O SER A 98 -4.844 0.287 -9.790 1.00 0.00 O ATOM 1474 CB SER A 98 -7.028 0.357 -7.540 1.00 0.00 C ATOM 1475 OG SER A 98 -7.677 0.850 -8.699 1.00 0.00 O ATOM 0 H SER A 98 -5.407 2.453 -8.727 1.00 0.00 H new ATOM 0 HA SER A 98 -5.117 0.484 -6.565 1.00 0.00 H new ATOM 0 HB2 SER A 98 -7.131 -0.727 -7.495 1.00 0.00 H new ATOM 0 HB3 SER A 98 -7.511 0.760 -6.650 1.00 0.00 H new ATOM 0 HG SER A 98 -8.623 0.595 -8.678 1.00 0.00 H new ATOM 1481 N ALA A 99 -4.132 -1.126 -8.189 1.00 0.00 N ATOM 1482 CA ALA A 99 -3.384 -1.969 -9.113 1.00 0.00 C ATOM 1483 C ALA A 99 -3.772 -3.436 -8.954 1.00 0.00 C ATOM 1484 O ALA A 99 -4.468 -3.804 -8.008 1.00 0.00 O ATOM 1485 CB ALA A 99 -1.889 -1.791 -8.899 1.00 0.00 C ATOM 0 H ALA A 99 -4.090 -1.426 -7.215 1.00 0.00 H new ATOM 0 HA ALA A 99 -3.633 -1.662 -10.129 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -1.343 -2.427 -9.596 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -1.618 -0.749 -9.070 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.632 -2.069 -7.877 1.00 0.00 H new ATOM 1491 N MET A 100 -3.318 -4.268 -9.886 1.00 0.00 N ATOM 1492 CA MET A 100 -3.618 -5.694 -9.847 1.00 0.00 C ATOM 1493 C MET A 100 -2.337 -6.521 -9.895 1.00 0.00 C ATOM 1494 O MET A 100 -1.664 -6.582 -10.925 1.00 0.00 O ATOM 1495 CB MET A 100 -4.530 -6.077 -11.014 1.00 0.00 C ATOM 1496 CG MET A 100 -6.004 -5.827 -10.741 1.00 0.00 C ATOM 1497 SD MET A 100 -6.995 -7.330 -10.844 1.00 0.00 S ATOM 1498 CE MET A 100 -6.391 -8.231 -9.419 1.00 0.00 C ATOM 0 H MET A 100 -2.742 -3.979 -10.676 1.00 0.00 H new ATOM 0 HA MET A 100 -4.131 -5.906 -8.909 1.00 0.00 H new ATOM 0 HB2 MET A 100 -4.232 -5.513 -11.898 1.00 0.00 H new ATOM 0 HB3 MET A 100 -4.386 -7.132 -11.246 1.00 0.00 H new ATOM 0 HG2 MET A 100 -6.117 -5.390 -9.749 1.00 0.00 H new ATOM 0 HG3 MET A 100 -6.383 -5.097 -11.456 1.00 0.00 H new ATOM 0 HE1 MET A 100 -6.884 -9.202 -9.366 1.00 0.00 H new ATOM 0 HE2 MET A 100 -5.314 -8.375 -9.509 1.00 0.00 H new ATOM 0 HE3 MET A 100 -6.606 -7.665 -8.513 1.00 0.00 H new ATOM 1508 N LEU A 101 -2.004 -7.154 -8.776 1.00 0.00 N ATOM 1509 CA LEU A 101 -0.803 -7.977 -8.691 1.00 0.00 C ATOM 1510 C LEU A 101 -1.099 -9.417 -9.097 1.00 0.00 C ATOM 1511 O LEU A 101 -2.156 -9.961 -8.774 1.00 0.00 O ATOM 1512 CB LEU A 101 -0.237 -7.942 -7.270 1.00 0.00 C ATOM 1513 CG LEU A 101 1.164 -8.528 -7.091 1.00 0.00 C ATOM 1514 CD1 LEU A 101 2.210 -7.606 -7.697 1.00 0.00 C ATOM 1515 CD2 LEU A 101 1.456 -8.773 -5.618 1.00 0.00 C ATOM 0 H LEU A 101 -2.549 -7.113 -7.915 1.00 0.00 H new ATOM 0 HA LEU A 101 -0.064 -7.570 -9.381 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.222 -6.906 -6.932 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -0.921 -8.481 -6.615 1.00 0.00 H new ATOM 0 HG LEU A 101 1.206 -9.484 -7.613 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.201 -8.040 -7.560 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.012 -7.482 -8.762 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.168 -6.635 -7.204 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.457 -9.190 -5.510 1.00 0.00 H new ATOM 0 HD22 LEU A 101 1.395 -7.831 -5.073 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.725 -9.474 -5.214 1.00 0.00 H new ATOM 1527 N THR A 102 -0.158 -10.032 -9.807 1.00 0.00 N ATOM 1528 CA THR A 102 -0.317 -11.409 -10.256 1.00 0.00 C ATOM 1529 C THR A 102 0.761 -12.309 -9.664 1.00 0.00 C ATOM 1530 O THR A 102 1.935 -11.942 -9.619 1.00 0.00 O ATOM 1531 CB THR A 102 -0.265 -11.508 -11.793 1.00 0.00 C ATOM 1532 OG1 THR A 102 -1.290 -10.693 -12.371 1.00 0.00 O ATOM 1533 CG2 THR A 102 -0.438 -12.949 -12.249 1.00 0.00 C ATOM 0 H THR A 102 0.722 -9.597 -10.083 1.00 0.00 H new ATOM 0 HA THR A 102 -1.295 -11.743 -9.910 1.00 0.00 H new ATOM 0 HB THR A 102 0.711 -11.154 -12.125 1.00 0.00 H new ATOM 0 HG1 THR A 102 -1.249 -10.760 -13.348 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.398 -12.994 -13.337 1.00 0.00 H new ATOM 0 HG22 THR A 102 0.361 -13.561 -11.831 1.00 0.00 H new ATOM 0 HG23 THR A 102 -1.401 -13.326 -11.906 1.00 0.00 H new ATOM 1541 N VAL A 103 0.356 -13.491 -9.211 1.00 0.00 N ATOM 1542 CA VAL A 103 1.288 -14.445 -8.622 1.00 0.00 C ATOM 1543 C VAL A 103 1.224 -15.790 -9.338 1.00 0.00 C ATOM 1544 O VAL A 103 0.269 -16.549 -9.170 1.00 0.00 O ATOM 1545 CB VAL A 103 1.002 -14.659 -7.124 1.00 0.00 C ATOM 1546 CG1 VAL A 103 1.972 -15.671 -6.534 1.00 0.00 C ATOM 1547 CG2 VAL A 103 1.075 -13.338 -6.374 1.00 0.00 C ATOM 0 H VAL A 103 -0.612 -13.811 -9.241 1.00 0.00 H new ATOM 0 HA VAL A 103 2.286 -14.023 -8.736 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.008 -15.055 -7.018 1.00 0.00 H new ATOM 0 HG11 VAL A 103 1.754 -15.809 -5.475 1.00 0.00 H new ATOM 0 HG12 VAL A 103 1.865 -16.623 -7.054 1.00 0.00 H new ATOM 0 HG13 VAL A 103 2.993 -15.307 -6.650 1.00 0.00 H new ATOM 0 HG21 VAL A 103 0.870 -13.508 -5.317 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.071 -12.910 -6.487 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.336 -12.648 -6.780 1.00 0.00 H new ATOM 1557 N ARG A 104 2.245 -16.079 -10.137 1.00 0.00 N ATOM 1558 CA ARG A 104 2.305 -17.332 -10.879 1.00 0.00 C ATOM 1559 C ARG A 104 2.760 -18.477 -9.979 1.00 0.00 C ATOM 1560 O ARG A 104 3.013 -18.281 -8.790 1.00 0.00 O ATOM 1561 CB ARG A 104 3.253 -17.199 -12.072 1.00 0.00 C ATOM 1562 CG ARG A 104 2.774 -16.212 -13.124 1.00 0.00 C ATOM 1563 CD ARG A 104 3.371 -16.520 -14.489 1.00 0.00 C ATOM 1564 NE ARG A 104 2.888 -17.790 -15.024 1.00 0.00 N ATOM 1565 CZ ARG A 104 1.666 -17.963 -15.515 1.00 0.00 C ATOM 1566 NH1 ARG A 104 0.808 -16.953 -15.539 1.00 0.00 N ATOM 1567 NH2 ARG A 104 1.300 -19.149 -15.984 1.00 0.00 N ATOM 0 H ARG A 104 3.043 -15.462 -10.287 1.00 0.00 H new ATOM 0 HA ARG A 104 1.303 -17.556 -11.244 1.00 0.00 H new ATOM 0 HB2 ARG A 104 4.234 -16.887 -11.713 1.00 0.00 H new ATOM 0 HB3 ARG A 104 3.380 -18.178 -12.535 1.00 0.00 H new ATOM 0 HG2 ARG A 104 1.686 -16.244 -13.186 1.00 0.00 H new ATOM 0 HG3 ARG A 104 3.047 -15.200 -12.826 1.00 0.00 H new ATOM 0 HD2 ARG A 104 3.123 -15.717 -15.183 1.00 0.00 H new ATOM 0 HD3 ARG A 104 4.458 -16.549 -14.411 1.00 0.00 H new ATOM 0 HE ARG A 104 3.524 -18.588 -15.020 1.00 0.00 H new ATOM 0 HH11 ARG A 104 1.085 -16.040 -15.180 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -0.130 -17.089 -15.917 1.00 0.00 H new ATOM 0 HH21 ARG A 104 1.957 -19.929 -15.968 1.00 0.00 H new ATOM 0 HH22 ARG A 104 0.361 -19.281 -16.361 1.00 0.00 H new ATOM 1581 N ALA A 105 2.861 -19.671 -10.553 1.00 0.00 N ATOM 1582 CA ALA A 105 3.287 -20.846 -9.803 1.00 0.00 C ATOM 1583 C ALA A 105 4.712 -21.245 -10.170 1.00 0.00 C ATOM 1584 O ALA A 105 5.182 -20.960 -11.272 1.00 0.00 O ATOM 1585 CB ALA A 105 2.332 -22.004 -10.051 1.00 0.00 C ATOM 0 H ALA A 105 2.654 -19.850 -11.535 1.00 0.00 H new ATOM 0 HA ALA A 105 3.270 -20.596 -8.742 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.662 -22.875 -9.485 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.328 -21.723 -9.732 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.321 -22.245 -11.114 1.00 0.00 H new ATOM 1591 N MET A 106 5.395 -21.904 -9.241 1.00 0.00 N ATOM 1592 CA MET A 106 6.768 -22.342 -9.468 1.00 0.00 C ATOM 1593 C MET A 106 6.855 -23.239 -10.698 1.00 0.00 C ATOM 1594 O MET A 106 5.861 -23.801 -11.158 1.00 0.00 O ATOM 1595 CB MET A 106 7.298 -23.086 -8.241 1.00 0.00 C ATOM 1596 CG MET A 106 8.101 -22.206 -7.296 1.00 0.00 C ATOM 1597 SD MET A 106 9.428 -23.105 -6.470 1.00 0.00 S ATOM 1598 CE MET A 106 10.830 -22.052 -6.837 1.00 0.00 C ATOM 0 H MET A 106 5.021 -22.147 -8.324 1.00 0.00 H new ATOM 0 HA MET A 106 7.382 -21.458 -9.640 1.00 0.00 H new ATOM 0 HB2 MET A 106 6.458 -23.517 -7.697 1.00 0.00 H new ATOM 0 HB3 MET A 106 7.923 -23.915 -8.571 1.00 0.00 H new ATOM 0 HG2 MET A 106 8.525 -21.372 -7.855 1.00 0.00 H new ATOM 0 HG3 MET A 106 7.434 -21.781 -6.546 1.00 0.00 H new ATOM 0 HE1 MET A 106 11.730 -22.476 -6.392 1.00 0.00 H new ATOM 0 HE2 MET A 106 10.959 -21.981 -7.917 1.00 0.00 H new ATOM 0 HE3 MET A 106 10.656 -21.058 -6.426 1.00 0.00 H new ATOM 1608 N PRO A 107 8.072 -23.376 -11.246 1.00 0.00 N ATOM 1609 CA PRO A 107 8.318 -24.204 -12.431 1.00 0.00 C ATOM 1610 C PRO A 107 8.174 -25.694 -12.137 1.00 0.00 C ATOM 1611 O PRO A 107 8.848 -26.231 -11.258 1.00 0.00 O ATOM 1612 CB PRO A 107 9.764 -23.870 -12.803 1.00 0.00 C ATOM 1613 CG PRO A 107 10.390 -23.423 -11.527 1.00 0.00 C ATOM 1614 CD PRO A 107 9.301 -22.735 -10.751 1.00 0.00 C ATOM 0 HA PRO A 107 7.601 -24.001 -13.226 1.00 0.00 H new ATOM 0 HB2 PRO A 107 10.278 -24.739 -13.213 1.00 0.00 H new ATOM 0 HB3 PRO A 107 9.807 -23.087 -13.561 1.00 0.00 H new ATOM 0 HG2 PRO A 107 10.790 -24.271 -10.971 1.00 0.00 H new ATOM 0 HG3 PRO A 107 11.222 -22.745 -11.717 1.00 0.00 H new ATOM 0 HD2 PRO A 107 9.423 -22.875 -9.677 1.00 0.00 H new ATOM 0 HD3 PRO A 107 9.295 -21.660 -10.933 1.00 0.00 H new