USER MOD reduce.3.24.130724 H: found=0, std=0, add=769, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 771 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 CYS SG : rot 180:sc= -1.42 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc=-0.00557 X(o=-0.0056,f=-0.41) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 180:sc= -0.872 USER MOD Single : A 45 ASN : amide:sc= -3.66! C(o=-3.7!,f=-5.1!) USER MOD Single : A 51 SER OG : rot 133:sc=0.000548 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 38:sc= 0.238 USER MOD Single : A 64 GLN : amide:sc= -0.0143 X(o=-0.014,f=0) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.0265 X(o=-0.027,f=-0.0084) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -1.63 X(o=-1.6,f=-1.5) USER MOD Single : A 74 HIS : no HD1:sc= -0.777 X(o=-0.78,f=-0.42) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 150:sc= -2.51 (180deg=-4.28!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 93 SER OG : rot 27:sc= 0.0419 USER MOD Single : A 94 CYS SG : rot 123:sc= -1.1 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= -0.217 USER MOD Single : A 102 ASN : amide:sc= -0.201 X(o=-0.2,f=0) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 265 N GLU A 20 -4.482 -10.238 -6.326 1.00 0.00 N ATOM 266 CA GLU A 20 -4.284 -10.384 -4.889 1.00 0.00 C ATOM 267 C GLU A 20 -4.077 -9.026 -4.226 1.00 0.00 C ATOM 268 O GLU A 20 -4.579 -8.772 -3.130 1.00 0.00 O ATOM 269 CB GLU A 20 -3.083 -11.290 -4.607 1.00 0.00 C ATOM 270 CG GLU A 20 -3.342 -12.757 -4.907 1.00 0.00 C ATOM 271 CD GLU A 20 -4.289 -13.398 -3.912 1.00 0.00 C ATOM 272 OE1 GLU A 20 -4.052 -13.259 -2.694 1.00 0.00 O ATOM 273 OE2 GLU A 20 -5.268 -14.038 -4.350 1.00 0.00 O ATOM 0 HA GLU A 20 -5.181 -10.840 -4.470 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.235 -10.951 -5.202 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.799 -11.187 -3.560 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.757 -12.851 -5.910 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.395 -13.298 -4.902 1.00 0.00 H new ATOM 280 N THR A 21 -3.334 -8.153 -4.899 1.00 0.00 N ATOM 281 CA THR A 21 -3.058 -6.821 -4.378 1.00 0.00 C ATOM 282 C THR A 21 -3.250 -5.758 -5.453 1.00 0.00 C ATOM 283 O THR A 21 -3.011 -5.990 -6.639 1.00 0.00 O ATOM 284 CB THR A 21 -1.624 -6.720 -3.823 1.00 0.00 C ATOM 285 OG1 THR A 21 -0.726 -6.303 -4.858 1.00 0.00 O ATOM 286 CG2 THR A 21 -1.167 -8.056 -3.256 1.00 0.00 C ATOM 0 H THR A 21 -2.912 -8.346 -5.808 1.00 0.00 H new ATOM 0 HA THR A 21 -3.767 -6.647 -3.568 1.00 0.00 H new ATOM 0 HB THR A 21 -1.620 -5.983 -3.020 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.183 -6.240 -4.497 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.152 -7.960 -2.870 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.835 -8.356 -2.449 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.186 -8.811 -4.042 1.00 0.00 H new ATOM 294 N PRO A 22 -3.691 -4.563 -5.033 1.00 0.00 N ATOM 295 CA PRO A 22 -3.925 -3.440 -5.945 1.00 0.00 C ATOM 296 C PRO A 22 -2.626 -2.872 -6.509 1.00 0.00 C ATOM 297 O PRO A 22 -1.585 -2.908 -5.854 1.00 0.00 O ATOM 298 CB PRO A 22 -4.622 -2.402 -5.061 1.00 0.00 C ATOM 299 CG PRO A 22 -4.174 -2.724 -3.677 1.00 0.00 C ATOM 300 CD PRO A 22 -3.996 -4.216 -3.634 1.00 0.00 C ATOM 0 HA PRO A 22 -4.508 -3.738 -6.816 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.340 -1.388 -5.343 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -5.706 -2.468 -5.152 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -3.241 -2.213 -3.441 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.911 -2.398 -2.943 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.187 -4.505 -2.963 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.897 -4.718 -3.283 1.00 0.00 H new ATOM 308 N SER A 23 -2.696 -2.347 -7.728 1.00 0.00 N ATOM 309 CA SER A 23 -1.524 -1.773 -8.382 1.00 0.00 C ATOM 310 C SER A 23 -0.798 -0.811 -7.447 1.00 0.00 C ATOM 311 O SER A 23 0.404 -0.946 -7.211 1.00 0.00 O ATOM 312 CB SER A 23 -1.934 -1.046 -9.664 1.00 0.00 C ATOM 313 OG SER A 23 -2.778 -1.858 -10.463 1.00 0.00 O ATOM 0 H SER A 23 -3.551 -2.307 -8.283 1.00 0.00 H new ATOM 0 HA SER A 23 -0.845 -2.587 -8.637 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.449 -0.119 -9.411 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.044 -0.772 -10.231 1.00 0.00 H new ATOM 0 HG SER A 23 -3.028 -1.370 -11.276 1.00 0.00 H new ATOM 319 N CYS A 24 -1.535 0.160 -6.920 1.00 0.00 N ATOM 320 CA CYS A 24 -0.962 1.147 -6.011 1.00 0.00 C ATOM 321 C CYS A 24 0.051 0.500 -5.073 1.00 0.00 C ATOM 322 O CYS A 24 1.129 1.045 -4.833 1.00 0.00 O ATOM 323 CB CYS A 24 -2.066 1.825 -5.200 1.00 0.00 C ATOM 324 SG CYS A 24 -3.044 0.689 -4.189 1.00 0.00 S ATOM 0 H CYS A 24 -2.530 0.285 -7.106 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.447 1.899 -6.609 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.616 2.576 -4.551 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -2.732 2.352 -5.883 1.00 0.00 H new ATOM 0 HG CYS A 24 -3.950 1.357 -3.539 1.00 0.00 H new ATOM 330 N PHE A 25 -0.303 -0.667 -4.543 1.00 0.00 N ATOM 331 CA PHE A 25 0.574 -1.389 -3.629 1.00 0.00 C ATOM 332 C PHE A 25 2.010 -1.398 -4.145 1.00 0.00 C ATOM 333 O PHE A 25 2.251 -1.255 -5.344 1.00 0.00 O ATOM 334 CB PHE A 25 0.078 -2.824 -3.439 1.00 0.00 C ATOM 335 CG PHE A 25 0.846 -3.591 -2.400 1.00 0.00 C ATOM 336 CD1 PHE A 25 2.009 -4.264 -2.736 1.00 0.00 C ATOM 337 CD2 PHE A 25 0.404 -3.637 -1.088 1.00 0.00 C ATOM 338 CE1 PHE A 25 2.716 -4.971 -1.782 1.00 0.00 C ATOM 339 CE2 PHE A 25 1.108 -4.342 -0.129 1.00 0.00 C ATOM 340 CZ PHE A 25 2.266 -5.009 -0.477 1.00 0.00 C ATOM 0 H PHE A 25 -1.191 -1.132 -4.731 1.00 0.00 H new ATOM 0 HA PHE A 25 0.556 -0.876 -2.667 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -0.975 -2.802 -3.158 1.00 0.00 H new ATOM 0 HB3 PHE A 25 0.143 -3.352 -4.391 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.367 -4.236 -3.754 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.501 -3.116 -0.811 1.00 0.00 H new ATOM 0 HE1 PHE A 25 3.620 -5.494 -2.057 1.00 0.00 H new ATOM 0 HE2 PHE A 25 0.753 -4.371 0.890 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.819 -5.559 0.270 1.00 0.00 H new ATOM 350 N LEU A 26 2.959 -1.567 -3.232 1.00 0.00 N ATOM 351 CA LEU A 26 4.372 -1.594 -3.593 1.00 0.00 C ATOM 352 C LEU A 26 5.172 -2.431 -2.599 1.00 0.00 C ATOM 353 O LEU A 26 4.807 -2.542 -1.429 1.00 0.00 O ATOM 354 CB LEU A 26 4.933 -0.172 -3.648 1.00 0.00 C ATOM 355 CG LEU A 26 4.187 0.876 -2.823 1.00 0.00 C ATOM 356 CD1 LEU A 26 4.271 0.547 -1.340 1.00 0.00 C ATOM 357 CD2 LEU A 26 4.742 2.266 -3.095 1.00 0.00 C ATOM 0 H LEU A 26 2.776 -1.687 -2.236 1.00 0.00 H new ATOM 0 HA LEU A 26 4.461 -2.051 -4.579 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.970 -0.199 -3.313 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.943 0.153 -4.688 1.00 0.00 H new ATOM 0 HG LEU A 26 3.138 0.862 -3.119 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.734 1.304 -0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.823 -0.430 -1.158 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.316 0.531 -1.029 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.198 2.998 -2.498 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.799 2.294 -2.829 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.628 2.503 -4.153 1.00 0.00 H new ATOM 369 N LYS A 27 6.267 -3.016 -3.073 1.00 0.00 N ATOM 370 CA LYS A 27 7.122 -3.839 -2.227 1.00 0.00 C ATOM 371 C LYS A 27 8.312 -3.037 -1.711 1.00 0.00 C ATOM 372 O LYS A 27 9.261 -2.770 -2.449 1.00 0.00 O ATOM 373 CB LYS A 27 7.617 -5.063 -3.002 1.00 0.00 C ATOM 374 CG LYS A 27 6.528 -6.083 -3.287 1.00 0.00 C ATOM 375 CD LYS A 27 5.832 -5.800 -4.608 1.00 0.00 C ATOM 376 CE LYS A 27 4.526 -6.572 -4.726 1.00 0.00 C ATOM 377 NZ LYS A 27 4.063 -6.666 -6.138 1.00 0.00 N ATOM 0 H LYS A 27 6.583 -2.935 -4.039 1.00 0.00 H new ATOM 0 HA LYS A 27 6.532 -4.171 -1.373 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.051 -4.734 -3.946 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.414 -5.544 -2.435 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.961 -7.083 -3.310 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.796 -6.071 -2.479 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.634 -4.732 -4.695 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.491 -6.070 -5.433 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.659 -7.575 -4.320 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.760 -6.083 -4.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.171 -7.199 -6.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.912 -5.710 -6.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.783 -7.155 -6.708 1.00 0.00 H new ATOM 391 N VAL A 28 8.256 -2.656 -0.438 1.00 0.00 N ATOM 392 CA VAL A 28 9.330 -1.885 0.178 1.00 0.00 C ATOM 393 C VAL A 28 9.410 -2.154 1.676 1.00 0.00 C ATOM 394 O VAL A 28 8.512 -2.764 2.256 1.00 0.00 O ATOM 395 CB VAL A 28 9.141 -0.375 -0.053 1.00 0.00 C ATOM 396 CG1 VAL A 28 8.862 -0.088 -1.521 1.00 0.00 C ATOM 397 CG2 VAL A 28 8.021 0.162 0.825 1.00 0.00 C ATOM 0 H VAL A 28 7.478 -2.869 0.187 1.00 0.00 H new ATOM 0 HA VAL A 28 10.259 -2.203 -0.295 1.00 0.00 H new ATOM 0 HB VAL A 28 10.065 0.134 0.222 1.00 0.00 H new ATOM 0 HG11 VAL A 28 8.731 0.985 -1.664 1.00 0.00 H new ATOM 0 HG12 VAL A 28 9.700 -0.435 -2.125 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.954 -0.608 -1.827 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.901 1.231 0.649 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.091 -0.352 0.583 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.267 -0.007 1.873 1.00 0.00 H new ATOM 407 N SER A 29 10.490 -1.693 2.297 1.00 0.00 N ATOM 408 CA SER A 29 10.690 -1.885 3.730 1.00 0.00 C ATOM 409 C SER A 29 9.799 -0.943 4.533 1.00 0.00 C ATOM 410 O SER A 29 8.997 -0.198 3.970 1.00 0.00 O ATOM 411 CB SER A 29 12.157 -1.657 4.097 1.00 0.00 C ATOM 412 OG SER A 29 13.018 -2.383 3.236 1.00 0.00 O ATOM 0 H SER A 29 11.241 -1.184 1.831 1.00 0.00 H new ATOM 0 HA SER A 29 10.418 -2.911 3.976 1.00 0.00 H new ATOM 0 HB2 SER A 29 12.389 -0.594 4.036 1.00 0.00 H new ATOM 0 HB3 SER A 29 12.328 -1.962 5.129 1.00 0.00 H new ATOM 0 HG SER A 29 13.950 -2.219 3.491 1.00 0.00 H new ATOM 418 N ARG A 30 9.947 -0.983 5.854 1.00 0.00 N ATOM 419 CA ARG A 30 9.155 -0.134 6.737 1.00 0.00 C ATOM 420 C ARG A 30 9.440 1.341 6.471 1.00 0.00 C ATOM 421 O ARG A 30 8.527 2.119 6.190 1.00 0.00 O ATOM 422 CB ARG A 30 9.453 -0.467 8.200 1.00 0.00 C ATOM 423 CG ARG A 30 8.687 0.396 9.189 1.00 0.00 C ATOM 424 CD ARG A 30 8.662 -0.230 10.574 1.00 0.00 C ATOM 425 NE ARG A 30 7.963 0.609 11.542 1.00 0.00 N ATOM 426 CZ ARG A 30 8.499 1.689 12.102 1.00 0.00 C ATOM 427 NH1 ARG A 30 9.733 2.058 11.789 1.00 0.00 N ATOM 428 NH2 ARG A 30 7.799 2.403 12.974 1.00 0.00 N ATOM 0 H ARG A 30 10.607 -1.593 6.336 1.00 0.00 H new ATOM 0 HA ARG A 30 8.101 -0.325 6.536 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.212 -1.514 8.382 1.00 0.00 H new ATOM 0 HB3 ARG A 30 10.522 -0.350 8.380 1.00 0.00 H new ATOM 0 HG2 ARG A 30 9.146 1.383 9.243 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.666 0.538 8.835 1.00 0.00 H new ATOM 0 HD2 ARG A 30 8.177 -1.205 10.522 1.00 0.00 H new ATOM 0 HD3 ARG A 30 9.684 -0.400 10.913 1.00 0.00 H new ATOM 0 HE ARG A 30 7.011 0.353 11.803 1.00 0.00 H new ATOM 0 HH11 ARG A 30 10.273 1.513 11.117 1.00 0.00 H new ATOM 0 HH12 ARG A 30 10.142 2.887 12.220 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.848 2.124 13.216 1.00 0.00 H new ATOM 0 HH22 ARG A 30 8.212 3.231 13.403 1.00 0.00 H new ATOM 442 N LEU A 31 10.710 1.719 6.563 1.00 0.00 N ATOM 443 CA LEU A 31 11.115 3.101 6.333 1.00 0.00 C ATOM 444 C LEU A 31 11.020 3.458 4.853 1.00 0.00 C ATOM 445 O LEU A 31 10.470 4.497 4.490 1.00 0.00 O ATOM 446 CB LEU A 31 12.543 3.325 6.833 1.00 0.00 C ATOM 447 CG LEU A 31 12.835 2.861 8.260 1.00 0.00 C ATOM 448 CD1 LEU A 31 14.332 2.687 8.469 1.00 0.00 C ATOM 449 CD2 LEU A 31 12.266 3.849 9.268 1.00 0.00 C ATOM 0 H LEU A 31 11.477 1.088 6.795 1.00 0.00 H new ATOM 0 HA LEU A 31 10.437 3.749 6.888 1.00 0.00 H new ATOM 0 HB2 LEU A 31 13.228 2.811 6.158 1.00 0.00 H new ATOM 0 HB3 LEU A 31 12.767 4.389 6.765 1.00 0.00 H new ATOM 0 HG LEU A 31 12.353 1.896 8.414 1.00 0.00 H new ATOM 0 HD11 LEU A 31 14.521 2.356 9.490 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.713 1.942 7.770 1.00 0.00 H new ATOM 0 HD13 LEU A 31 14.836 3.638 8.296 1.00 0.00 H new ATOM 0 HD21 LEU A 31 12.483 3.503 10.279 1.00 0.00 H new ATOM 0 HD22 LEU A 31 12.720 4.828 9.114 1.00 0.00 H new ATOM 0 HD23 LEU A 31 11.187 3.925 9.134 1.00 0.00 H new ATOM 461 N GLU A 32 11.558 2.588 4.005 1.00 0.00 N ATOM 462 CA GLU A 32 11.532 2.811 2.563 1.00 0.00 C ATOM 463 C GLU A 32 10.187 3.382 2.126 1.00 0.00 C ATOM 464 O GLU A 32 10.126 4.296 1.303 1.00 0.00 O ATOM 465 CB GLU A 32 11.810 1.505 1.817 1.00 0.00 C ATOM 466 CG GLU A 32 13.285 1.143 1.754 1.00 0.00 C ATOM 467 CD GLU A 32 14.110 2.182 1.021 1.00 0.00 C ATOM 468 OE1 GLU A 32 13.954 2.303 -0.213 1.00 0.00 O ATOM 469 OE2 GLU A 32 14.911 2.876 1.681 1.00 0.00 O ATOM 0 H GLU A 32 12.017 1.723 4.290 1.00 0.00 H new ATOM 0 HA GLU A 32 12.311 3.533 2.319 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.266 0.695 2.304 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.421 1.586 0.802 1.00 0.00 H new ATOM 0 HG2 GLU A 32 13.670 1.027 2.767 1.00 0.00 H new ATOM 0 HG3 GLU A 32 13.398 0.179 1.258 1.00 0.00 H new ATOM 476 N ALA A 33 9.109 2.836 2.682 1.00 0.00 N ATOM 477 CA ALA A 33 7.765 3.293 2.350 1.00 0.00 C ATOM 478 C ALA A 33 7.535 4.721 2.834 1.00 0.00 C ATOM 479 O ALA A 33 6.887 5.517 2.155 1.00 0.00 O ATOM 480 CB ALA A 33 6.727 2.356 2.952 1.00 0.00 C ATOM 0 H ALA A 33 9.141 2.078 3.363 1.00 0.00 H new ATOM 0 HA ALA A 33 7.662 3.285 1.265 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.727 2.708 2.697 1.00 0.00 H new ATOM 0 HB2 ALA A 33 6.870 1.351 2.555 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.839 2.337 4.036 1.00 0.00 H new ATOM 486 N GLN A 34 8.069 5.036 4.009 1.00 0.00 N ATOM 487 CA GLN A 34 7.918 6.368 4.582 1.00 0.00 C ATOM 488 C GLN A 34 8.626 7.412 3.725 1.00 0.00 C ATOM 489 O GLN A 34 8.023 8.402 3.311 1.00 0.00 O ATOM 490 CB GLN A 34 8.475 6.399 6.007 1.00 0.00 C ATOM 491 CG GLN A 34 8.044 7.620 6.803 1.00 0.00 C ATOM 492 CD GLN A 34 9.063 8.025 7.849 1.00 0.00 C ATOM 493 OE1 GLN A 34 9.822 7.193 8.348 1.00 0.00 O ATOM 494 NE2 GLN A 34 9.086 9.308 8.187 1.00 0.00 N ATOM 0 H GLN A 34 8.609 4.388 4.582 1.00 0.00 H new ATOM 0 HA GLN A 34 6.855 6.606 4.609 1.00 0.00 H new ATOM 0 HB2 GLN A 34 8.153 5.500 6.533 1.00 0.00 H new ATOM 0 HB3 GLN A 34 9.564 6.370 5.963 1.00 0.00 H new ATOM 0 HG2 GLN A 34 7.879 8.454 6.121 1.00 0.00 H new ATOM 0 HG3 GLN A 34 7.091 7.413 7.291 1.00 0.00 H new ATOM 0 HE21 GLN A 34 8.439 9.963 7.748 1.00 0.00 H new ATOM 0 HE22 GLN A 34 9.751 9.639 8.886 1.00 0.00 H new ATOM 503 N LEU A 35 9.908 7.185 3.463 1.00 0.00 N ATOM 504 CA LEU A 35 10.699 8.107 2.654 1.00 0.00 C ATOM 505 C LEU A 35 10.098 8.261 1.260 1.00 0.00 C ATOM 506 O LEU A 35 10.163 9.334 0.660 1.00 0.00 O ATOM 507 CB LEU A 35 12.143 7.613 2.548 1.00 0.00 C ATOM 508 CG LEU A 35 12.436 6.635 1.411 1.00 0.00 C ATOM 509 CD1 LEU A 35 12.595 7.379 0.094 1.00 0.00 C ATOM 510 CD2 LEU A 35 13.683 5.819 1.717 1.00 0.00 C ATOM 0 H LEU A 35 10.423 6.371 3.799 1.00 0.00 H new ATOM 0 HA LEU A 35 10.690 9.081 3.143 1.00 0.00 H new ATOM 0 HB2 LEU A 35 12.795 8.479 2.432 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.412 7.135 3.490 1.00 0.00 H new ATOM 0 HG LEU A 35 11.592 5.952 1.320 1.00 0.00 H new ATOM 0 HD11 LEU A 35 12.803 6.666 -0.704 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.675 7.919 -0.132 1.00 0.00 H new ATOM 0 HD13 LEU A 35 13.421 8.086 0.173 1.00 0.00 H new ATOM 0 HD21 LEU A 35 13.876 5.128 0.896 1.00 0.00 H new ATOM 0 HD22 LEU A 35 14.535 6.488 1.836 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.532 5.256 2.638 1.00 0.00 H new ATOM 522 N LEU A 36 9.513 7.182 0.752 1.00 0.00 N ATOM 523 CA LEU A 36 8.898 7.198 -0.571 1.00 0.00 C ATOM 524 C LEU A 36 7.844 8.296 -0.669 1.00 0.00 C ATOM 525 O LEU A 36 7.489 8.734 -1.764 1.00 0.00 O ATOM 526 CB LEU A 36 8.266 5.839 -0.877 1.00 0.00 C ATOM 527 CG LEU A 36 9.175 4.812 -1.553 1.00 0.00 C ATOM 528 CD1 LEU A 36 8.514 3.443 -1.572 1.00 0.00 C ATOM 529 CD2 LEU A 36 9.522 5.258 -2.968 1.00 0.00 C ATOM 0 H LEU A 36 9.451 6.286 1.235 1.00 0.00 H new ATOM 0 HA LEU A 36 9.678 7.403 -1.305 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.901 5.412 0.057 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.397 6.000 -1.515 1.00 0.00 H new ATOM 0 HG LEU A 36 10.098 4.738 -0.978 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.176 2.726 -2.057 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.316 3.120 -0.550 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.575 3.500 -2.123 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.170 4.516 -3.435 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.607 5.360 -3.552 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.038 6.218 -2.931 1.00 0.00 H new ATOM 541 N LEU A 37 7.348 8.737 0.483 1.00 0.00 N ATOM 542 CA LEU A 37 6.335 9.786 0.526 1.00 0.00 C ATOM 543 C LEU A 37 6.958 11.155 0.271 1.00 0.00 C ATOM 544 O LEU A 37 6.642 11.815 -0.719 1.00 0.00 O ATOM 545 CB LEU A 37 5.627 9.781 1.882 1.00 0.00 C ATOM 546 CG LEU A 37 4.811 8.529 2.209 1.00 0.00 C ATOM 547 CD1 LEU A 37 4.384 8.537 3.668 1.00 0.00 C ATOM 548 CD2 LEU A 37 3.598 8.430 1.296 1.00 0.00 C ATOM 0 H LEU A 37 7.630 8.385 1.398 1.00 0.00 H new ATOM 0 HA LEU A 37 5.606 9.587 -0.260 1.00 0.00 H new ATOM 0 HB2 LEU A 37 6.377 9.915 2.661 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.963 10.645 1.926 1.00 0.00 H new ATOM 0 HG LEU A 37 5.439 7.654 2.041 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.805 7.639 3.882 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.268 8.560 4.306 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.773 9.418 3.863 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.029 7.534 1.543 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.968 9.309 1.432 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.927 8.377 0.258 1.00 0.00 H new ATOM 560 N GLU A 38 7.845 11.574 1.168 1.00 0.00 N ATOM 561 CA GLU A 38 8.512 12.863 1.037 1.00 0.00 C ATOM 562 C GLU A 38 9.251 12.961 -0.295 1.00 0.00 C ATOM 563 O GLU A 38 9.499 14.056 -0.800 1.00 0.00 O ATOM 564 CB GLU A 38 9.492 13.075 2.193 1.00 0.00 C ATOM 565 CG GLU A 38 10.674 12.120 2.172 1.00 0.00 C ATOM 566 CD GLU A 38 11.564 12.266 3.391 1.00 0.00 C ATOM 567 OE1 GLU A 38 11.025 12.468 4.499 1.00 0.00 O ATOM 568 OE2 GLU A 38 12.800 12.177 3.237 1.00 0.00 O ATOM 0 H GLU A 38 8.118 11.039 1.993 1.00 0.00 H new ATOM 0 HA GLU A 38 7.750 13.642 1.068 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.863 14.099 2.161 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.959 12.959 3.136 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.307 11.095 2.115 1.00 0.00 H new ATOM 0 HG3 GLU A 38 11.264 12.298 1.273 1.00 0.00 H new ATOM 575 N ARG A 39 9.601 11.809 -0.857 1.00 0.00 N ATOM 576 CA ARG A 39 10.313 11.763 -2.128 1.00 0.00 C ATOM 577 C ARG A 39 9.359 12.003 -3.294 1.00 0.00 C ATOM 578 O ARG A 39 9.622 12.832 -4.165 1.00 0.00 O ATOM 579 CB ARG A 39 11.014 10.415 -2.297 1.00 0.00 C ATOM 580 CG ARG A 39 12.428 10.389 -1.741 1.00 0.00 C ATOM 581 CD ARG A 39 13.267 9.307 -2.402 1.00 0.00 C ATOM 582 NE ARG A 39 13.810 9.743 -3.687 1.00 0.00 N ATOM 583 CZ ARG A 39 14.900 10.490 -3.808 1.00 0.00 C ATOM 584 NH1 ARG A 39 15.563 10.882 -2.728 1.00 0.00 N ATOM 585 NH2 ARG A 39 15.331 10.847 -5.011 1.00 0.00 N ATOM 0 H ARG A 39 9.403 10.894 -0.452 1.00 0.00 H new ATOM 0 HA ARG A 39 11.062 12.555 -2.125 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.424 9.644 -1.802 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.045 10.162 -3.357 1.00 0.00 H new ATOM 0 HG2 ARG A 39 12.898 11.360 -1.895 1.00 0.00 H new ATOM 0 HG3 ARG A 39 12.394 10.218 -0.665 1.00 0.00 H new ATOM 0 HD2 ARG A 39 14.086 9.027 -1.739 1.00 0.00 H new ATOM 0 HD3 ARG A 39 12.658 8.415 -2.550 1.00 0.00 H new ATOM 0 HE ARG A 39 13.324 9.457 -4.537 1.00 0.00 H new ATOM 0 HH11 ARG A 39 15.235 10.609 -1.801 1.00 0.00 H new ATOM 0 HH12 ARG A 39 16.401 11.456 -2.824 1.00 0.00 H new ATOM 0 HH21 ARG A 39 14.824 10.547 -5.844 1.00 0.00 H new ATOM 0 HH22 ARG A 39 16.169 11.421 -5.103 1.00 0.00 H new ATOM 599 N TYR A 40 8.250 11.271 -3.304 1.00 0.00 N ATOM 600 CA TYR A 40 7.258 11.401 -4.365 1.00 0.00 C ATOM 601 C TYR A 40 5.909 11.831 -3.798 1.00 0.00 C ATOM 602 O TYR A 40 4.996 11.024 -3.619 1.00 0.00 O ATOM 603 CB TYR A 40 7.109 10.078 -5.118 1.00 0.00 C ATOM 604 CG TYR A 40 8.429 9.452 -5.508 1.00 0.00 C ATOM 605 CD1 TYR A 40 9.194 8.759 -4.577 1.00 0.00 C ATOM 606 CD2 TYR A 40 8.912 9.552 -6.807 1.00 0.00 C ATOM 607 CE1 TYR A 40 10.400 8.186 -4.928 1.00 0.00 C ATOM 608 CE2 TYR A 40 10.116 8.981 -7.168 1.00 0.00 C ATOM 609 CZ TYR A 40 10.857 8.299 -6.225 1.00 0.00 C ATOM 610 OH TYR A 40 12.059 7.730 -6.580 1.00 0.00 O ATOM 0 H TYR A 40 8.016 10.582 -2.590 1.00 0.00 H new ATOM 0 HA TYR A 40 7.602 12.169 -5.058 1.00 0.00 H new ATOM 0 HB2 TYR A 40 6.553 9.376 -4.496 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.516 10.246 -6.017 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.839 8.667 -3.561 1.00 0.00 H new ATOM 0 HD2 TYR A 40 8.335 10.086 -7.548 1.00 0.00 H new ATOM 0 HE1 TYR A 40 10.982 7.652 -4.192 1.00 0.00 H new ATOM 0 HE2 TYR A 40 10.476 9.068 -8.183 1.00 0.00 H new ATOM 0 HH TYR A 40 12.234 7.900 -7.529 1.00 0.00 H new ATOM 620 N PRO A 41 5.777 13.135 -3.509 1.00 0.00 N ATOM 621 CA PRO A 41 4.543 13.704 -2.960 1.00 0.00 C ATOM 622 C PRO A 41 3.407 13.713 -3.977 1.00 0.00 C ATOM 623 O PRO A 41 2.281 13.327 -3.666 1.00 0.00 O ATOM 624 CB PRO A 41 4.946 15.134 -2.592 1.00 0.00 C ATOM 625 CG PRO A 41 6.089 15.449 -3.492 1.00 0.00 C ATOM 626 CD PRO A 41 6.825 14.153 -3.697 1.00 0.00 C ATOM 0 HA PRO A 41 4.165 13.124 -2.118 1.00 0.00 H new ATOM 0 HB2 PRO A 41 4.120 15.829 -2.743 1.00 0.00 H new ATOM 0 HB3 PRO A 41 5.236 15.206 -1.544 1.00 0.00 H new ATOM 0 HG2 PRO A 41 5.738 15.853 -4.442 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.740 16.201 -3.047 1.00 0.00 H new ATOM 0 HD2 PRO A 41 7.268 14.095 -4.691 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.636 14.033 -2.979 1.00 0.00 H new ATOM 634 N GLU A 42 3.711 14.159 -5.192 1.00 0.00 N ATOM 635 CA GLU A 42 2.713 14.220 -6.254 1.00 0.00 C ATOM 636 C GLU A 42 2.024 12.870 -6.431 1.00 0.00 C ATOM 637 O GLU A 42 0.804 12.761 -6.302 1.00 0.00 O ATOM 638 CB GLU A 42 3.363 14.650 -7.571 1.00 0.00 C ATOM 639 CG GLU A 42 3.864 16.084 -7.561 1.00 0.00 C ATOM 640 CD GLU A 42 2.736 17.097 -7.512 1.00 0.00 C ATOM 641 OE1 GLU A 42 2.280 17.424 -6.397 1.00 0.00 O ATOM 642 OE2 GLU A 42 2.310 17.561 -8.590 1.00 0.00 O ATOM 0 H GLU A 42 4.639 14.483 -5.465 1.00 0.00 H new ATOM 0 HA GLU A 42 1.962 14.957 -5.970 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.198 13.984 -7.789 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.641 14.532 -8.379 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.516 16.231 -6.700 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.467 16.260 -8.452 1.00 0.00 H new ATOM 649 N CYS A 43 2.815 11.844 -6.728 1.00 0.00 N ATOM 650 CA CYS A 43 2.282 10.500 -6.925 1.00 0.00 C ATOM 651 C CYS A 43 1.143 10.220 -5.951 1.00 0.00 C ATOM 652 O CYS A 43 0.079 9.741 -6.344 1.00 0.00 O ATOM 653 CB CYS A 43 3.388 9.459 -6.749 1.00 0.00 C ATOM 654 SG CYS A 43 4.754 9.629 -7.922 1.00 0.00 S ATOM 0 H CYS A 43 3.826 11.917 -6.838 1.00 0.00 H new ATOM 0 HA CYS A 43 1.892 10.435 -7.941 1.00 0.00 H new ATOM 0 HB2 CYS A 43 3.782 9.531 -5.735 1.00 0.00 H new ATOM 0 HB3 CYS A 43 2.956 8.464 -6.853 1.00 0.00 H new ATOM 0 HG CYS A 43 5.640 8.706 -7.693 1.00 0.00 H new ATOM 660 N GLY A 44 1.373 10.518 -4.676 1.00 0.00 N ATOM 661 CA GLY A 44 0.358 10.289 -3.665 1.00 0.00 C ATOM 662 C GLY A 44 0.953 10.025 -2.295 1.00 0.00 C ATOM 663 O GLY A 44 2.170 9.925 -2.149 1.00 0.00 O ATOM 0 H GLY A 44 2.245 10.914 -4.325 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.299 11.157 -3.611 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.259 9.440 -3.960 1.00 0.00 H new ATOM 667 N ASN A 45 0.092 9.914 -1.289 1.00 0.00 N ATOM 668 CA ASN A 45 0.539 9.663 0.076 1.00 0.00 C ATOM 669 C ASN A 45 0.036 8.311 0.573 1.00 0.00 C ATOM 670 O ASN A 45 0.730 7.612 1.313 1.00 0.00 O ATOM 671 CB ASN A 45 0.053 10.775 1.007 1.00 0.00 C ATOM 672 CG ASN A 45 -1.313 10.481 1.596 1.00 0.00 C ATOM 673 OD1 ASN A 45 -1.467 10.366 2.811 1.00 0.00 O ATOM 674 ND2 ASN A 45 -2.314 10.356 0.731 1.00 0.00 N ATOM 0 H ASN A 45 -0.919 9.994 -1.393 1.00 0.00 H new ATOM 0 HA ASN A 45 1.629 9.648 0.078 1.00 0.00 H new ATOM 0 HB2 ASN A 45 0.773 10.909 1.815 1.00 0.00 H new ATOM 0 HB3 ASN A 45 0.013 11.715 0.456 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -3.256 10.157 1.067 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.140 10.459 -0.269 1.00 0.00 H new ATOM 681 N LEU A 46 -1.174 7.949 0.162 1.00 0.00 N ATOM 682 CA LEU A 46 -1.771 6.680 0.564 1.00 0.00 C ATOM 683 C LEU A 46 -1.088 5.510 -0.137 1.00 0.00 C ATOM 684 O LEU A 46 -1.455 5.142 -1.253 1.00 0.00 O ATOM 685 CB LEU A 46 -3.268 6.676 0.249 1.00 0.00 C ATOM 686 CG LEU A 46 -3.952 5.309 0.264 1.00 0.00 C ATOM 687 CD1 LEU A 46 -4.235 4.870 1.693 1.00 0.00 C ATOM 688 CD2 LEU A 46 -5.239 5.347 -0.548 1.00 0.00 C ATOM 0 H LEU A 46 -1.761 8.516 -0.449 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.632 6.566 1.639 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.772 7.320 0.969 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.413 7.122 -0.735 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.279 4.583 -0.192 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.722 3.895 1.684 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.298 4.803 2.245 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.888 5.598 2.175 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.712 4.365 -0.526 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.917 6.086 -0.121 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.011 5.617 -1.579 1.00 0.00 H new ATOM 700 N LEU A 47 -0.095 4.929 0.527 1.00 0.00 N ATOM 701 CA LEU A 47 0.639 3.798 -0.031 1.00 0.00 C ATOM 702 C LEU A 47 0.521 2.574 0.872 1.00 0.00 C ATOM 703 O LEU A 47 0.559 2.688 2.098 1.00 0.00 O ATOM 704 CB LEU A 47 2.111 4.164 -0.224 1.00 0.00 C ATOM 705 CG LEU A 47 3.022 3.937 0.983 1.00 0.00 C ATOM 706 CD1 LEU A 47 3.313 2.455 1.161 1.00 0.00 C ATOM 707 CD2 LEU A 47 4.318 4.721 0.829 1.00 0.00 C ATOM 0 H LEU A 47 0.220 5.222 1.452 1.00 0.00 H new ATOM 0 HA LEU A 47 0.202 3.556 -1.000 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.501 3.587 -1.062 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.170 5.215 -0.506 1.00 0.00 H new ATOM 0 HG LEU A 47 2.507 4.296 1.874 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.963 2.313 2.025 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.378 1.917 1.318 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.807 2.071 0.268 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.954 4.547 1.697 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.837 4.393 -0.072 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.093 5.785 0.751 1.00 0.00 H new ATOM 719 N LEU A 48 0.381 1.404 0.258 1.00 0.00 N ATOM 720 CA LEU A 48 0.261 0.157 1.005 1.00 0.00 C ATOM 721 C LEU A 48 1.569 -0.626 0.971 1.00 0.00 C ATOM 722 O LEU A 48 1.916 -1.231 -0.044 1.00 0.00 O ATOM 723 CB LEU A 48 -0.873 -0.696 0.434 1.00 0.00 C ATOM 724 CG LEU A 48 -2.286 -0.141 0.615 1.00 0.00 C ATOM 725 CD1 LEU A 48 -2.602 0.877 -0.470 1.00 0.00 C ATOM 726 CD2 LEU A 48 -3.308 -1.268 0.605 1.00 0.00 C ATOM 0 H LEU A 48 0.348 1.293 -0.755 1.00 0.00 H new ATOM 0 HA LEU A 48 0.034 0.404 2.042 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.693 -0.837 -0.632 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.829 -1.681 0.898 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.338 0.360 1.582 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.612 1.261 -0.325 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.889 1.700 -0.416 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.532 0.400 -1.448 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.308 -0.854 0.735 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.256 -1.798 -0.346 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.094 -1.961 1.419 1.00 0.00 H new ATOM 738 N ARG A 49 2.290 -0.613 2.088 1.00 0.00 N ATOM 739 CA ARG A 49 3.559 -1.324 2.186 1.00 0.00 C ATOM 740 C ARG A 49 3.403 -2.606 2.998 1.00 0.00 C ATOM 741 O ARG A 49 2.653 -2.666 3.972 1.00 0.00 O ATOM 742 CB ARG A 49 4.622 -0.429 2.826 1.00 0.00 C ATOM 743 CG ARG A 49 4.326 -0.073 4.274 1.00 0.00 C ATOM 744 CD ARG A 49 4.934 -1.086 5.231 1.00 0.00 C ATOM 745 NE ARG A 49 4.532 -0.842 6.614 1.00 0.00 N ATOM 746 CZ ARG A 49 4.942 0.202 7.326 1.00 0.00 C ATOM 747 NH1 ARG A 49 5.762 1.094 6.787 1.00 0.00 N ATOM 748 NH2 ARG A 49 4.532 0.356 8.578 1.00 0.00 N ATOM 0 H ARG A 49 2.017 -0.118 2.937 1.00 0.00 H new ATOM 0 HA ARG A 49 3.876 -1.589 1.177 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.588 -0.932 2.774 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.709 0.489 2.245 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.720 0.919 4.494 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.248 -0.029 4.426 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.630 -2.091 4.937 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.021 -1.048 5.157 1.00 0.00 H new ATOM 0 HE ARG A 49 3.902 -1.510 7.058 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.079 0.979 5.824 1.00 0.00 H new ATOM 0 HH12 ARG A 49 6.076 1.895 7.335 1.00 0.00 H new ATOM 0 HH21 ARG A 49 3.901 -0.328 8.996 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.848 1.158 9.123 1.00 0.00 H new ATOM 762 N PRO A 50 4.128 -3.658 2.589 1.00 0.00 N ATOM 763 CA PRO A 50 4.087 -4.959 3.264 1.00 0.00 C ATOM 764 C PRO A 50 4.743 -4.918 4.640 1.00 0.00 C ATOM 765 O PRO A 50 5.811 -4.331 4.813 1.00 0.00 O ATOM 766 CB PRO A 50 4.876 -5.873 2.323 1.00 0.00 C ATOM 767 CG PRO A 50 5.789 -4.956 1.584 1.00 0.00 C ATOM 768 CD PRO A 50 5.043 -3.659 1.435 1.00 0.00 C ATOM 0 HA PRO A 50 3.065 -5.292 3.445 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.435 -6.626 2.879 1.00 0.00 H new ATOM 0 HB3 PRO A 50 4.214 -6.407 1.641 1.00 0.00 H new ATOM 0 HG2 PRO A 50 6.721 -4.810 2.130 1.00 0.00 H new ATOM 0 HG3 PRO A 50 6.052 -5.369 0.610 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.717 -2.803 1.456 1.00 0.00 H new ATOM 0 HD3 PRO A 50 4.500 -3.614 0.491 1.00 0.00 H new ATOM 776 N SER A 51 4.096 -5.545 5.618 1.00 0.00 N ATOM 777 CA SER A 51 4.614 -5.577 6.980 1.00 0.00 C ATOM 778 C SER A 51 6.066 -6.050 6.998 1.00 0.00 C ATOM 779 O SER A 51 6.643 -6.356 5.956 1.00 0.00 O ATOM 780 CB SER A 51 3.756 -6.494 7.854 1.00 0.00 C ATOM 781 OG SER A 51 2.410 -6.054 7.887 1.00 0.00 O ATOM 0 H SER A 51 3.212 -6.038 5.492 1.00 0.00 H new ATOM 0 HA SER A 51 4.575 -4.564 7.381 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.799 -7.513 7.469 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.159 -6.518 8.866 1.00 0.00 H new ATOM 0 HG SER A 51 1.813 -6.815 7.732 1.00 0.00 H new ATOM 835 N GLY A 57 1.742 -9.292 7.176 1.00 0.00 N ATOM 836 CA GLY A 57 0.576 -9.056 6.344 1.00 0.00 C ATOM 837 C GLY A 57 0.728 -7.828 5.468 1.00 0.00 C ATOM 838 O GLY A 57 1.589 -7.786 4.589 1.00 0.00 O ATOM 0 HA2 GLY A 57 0.400 -9.928 5.714 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.302 -8.939 6.979 1.00 0.00 H new ATOM 842 N VAL A 58 -0.112 -6.826 5.705 1.00 0.00 N ATOM 843 CA VAL A 58 -0.067 -5.592 4.931 1.00 0.00 C ATOM 844 C VAL A 58 -0.410 -4.386 5.799 1.00 0.00 C ATOM 845 O VAL A 58 -1.262 -4.466 6.683 1.00 0.00 O ATOM 846 CB VAL A 58 -1.039 -5.643 3.737 1.00 0.00 C ATOM 847 CG1 VAL A 58 -1.027 -4.323 2.981 1.00 0.00 C ATOM 848 CG2 VAL A 58 -0.685 -6.798 2.813 1.00 0.00 C ATOM 0 H VAL A 58 -0.832 -6.845 6.427 1.00 0.00 H new ATOM 0 HA VAL A 58 0.952 -5.490 4.557 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.047 -5.807 4.118 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.720 -4.378 2.141 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.331 -3.518 3.650 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.021 -4.126 2.609 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.381 -6.820 1.975 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.330 -6.666 2.438 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.750 -7.737 3.363 1.00 0.00 H new ATOM 858 N SER A 59 0.260 -3.267 5.539 1.00 0.00 N ATOM 859 CA SER A 59 0.029 -2.044 6.299 1.00 0.00 C ATOM 860 C SER A 59 -0.199 -0.860 5.364 1.00 0.00 C ATOM 861 O SER A 59 0.369 -0.795 4.274 1.00 0.00 O ATOM 862 CB SER A 59 1.216 -1.760 7.221 1.00 0.00 C ATOM 863 OG SER A 59 1.035 -2.369 8.487 1.00 0.00 O ATOM 0 H SER A 59 0.967 -3.182 4.808 1.00 0.00 H new ATOM 0 HA SER A 59 -0.866 -2.184 6.905 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.133 -2.131 6.763 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.335 -0.684 7.345 1.00 0.00 H new ATOM 0 HG SER A 59 1.808 -2.174 9.057 1.00 0.00 H new ATOM 869 N VAL A 60 -1.034 0.078 5.801 1.00 0.00 N ATOM 870 CA VAL A 60 -1.337 1.262 5.005 1.00 0.00 C ATOM 871 C VAL A 60 -0.673 2.503 5.591 1.00 0.00 C ATOM 872 O VAL A 60 -1.031 2.959 6.678 1.00 0.00 O ATOM 873 CB VAL A 60 -2.856 1.502 4.912 1.00 0.00 C ATOM 874 CG1 VAL A 60 -3.155 2.688 4.009 1.00 0.00 C ATOM 875 CG2 VAL A 60 -3.563 0.250 4.414 1.00 0.00 C ATOM 0 H VAL A 60 -1.512 0.041 6.701 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.943 1.080 4.005 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.232 1.732 5.909 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.233 2.842 3.956 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.680 3.582 4.413 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.767 2.491 3.010 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.635 0.437 4.354 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.185 -0.013 3.426 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.376 -0.572 5.105 1.00 0.00 H new ATOM 885 N THR A 61 0.298 3.047 4.864 1.00 0.00 N ATOM 886 CA THR A 61 1.014 4.235 5.311 1.00 0.00 C ATOM 887 C THR A 61 0.432 5.497 4.684 1.00 0.00 C ATOM 888 O THR A 61 0.510 5.692 3.470 1.00 0.00 O ATOM 889 CB THR A 61 2.513 4.149 4.969 1.00 0.00 C ATOM 890 OG1 THR A 61 3.051 2.904 5.428 1.00 0.00 O ATOM 891 CG2 THR A 61 3.280 5.302 5.600 1.00 0.00 C ATOM 0 H THR A 61 0.607 2.683 3.962 1.00 0.00 H new ATOM 0 HA THR A 61 0.898 4.285 6.394 1.00 0.00 H new ATOM 0 HB THR A 61 2.619 4.212 3.886 1.00 0.00 H new ATOM 0 HG1 THR A 61 4.004 2.857 5.205 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.336 5.219 5.344 1.00 0.00 H new ATOM 0 HG22 THR A 61 2.889 6.248 5.225 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.165 5.266 6.683 1.00 0.00 H new ATOM 899 N THR A 62 -0.152 6.351 5.518 1.00 0.00 N ATOM 900 CA THR A 62 -0.748 7.594 5.045 1.00 0.00 C ATOM 901 C THR A 62 -0.098 8.803 5.708 1.00 0.00 C ATOM 902 O THR A 62 -0.078 8.913 6.934 1.00 0.00 O ATOM 903 CB THR A 62 -2.264 7.628 5.314 1.00 0.00 C ATOM 904 OG1 THR A 62 -2.523 7.358 6.697 1.00 0.00 O ATOM 905 CG2 THR A 62 -2.990 6.610 4.448 1.00 0.00 C ATOM 0 H THR A 62 -0.225 6.205 6.525 1.00 0.00 H new ATOM 0 HA THR A 62 -0.576 7.637 3.969 1.00 0.00 H new ATOM 0 HB THR A 62 -2.633 8.623 5.064 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.831 7.780 7.248 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.059 6.652 4.655 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.815 6.836 3.396 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.617 5.611 4.671 1.00 0.00 H new ATOM 913 N ARG A 63 0.432 9.707 4.891 1.00 0.00 N ATOM 914 CA ARG A 63 1.083 10.909 5.400 1.00 0.00 C ATOM 915 C ARG A 63 0.060 12.009 5.668 1.00 0.00 C ATOM 916 O ARG A 63 -0.190 12.858 4.813 1.00 0.00 O ATOM 917 CB ARG A 63 2.133 11.405 4.405 1.00 0.00 C ATOM 918 CG ARG A 63 2.899 12.627 4.887 1.00 0.00 C ATOM 919 CD ARG A 63 4.145 12.232 5.664 1.00 0.00 C ATOM 920 NE ARG A 63 5.168 13.273 5.622 1.00 0.00 N ATOM 921 CZ ARG A 63 5.161 14.343 6.409 1.00 0.00 C ATOM 922 NH1 ARG A 63 4.190 14.512 7.295 1.00 0.00 N ATOM 923 NH2 ARG A 63 6.128 15.247 6.311 1.00 0.00 N ATOM 0 H ARG A 63 0.424 9.630 3.874 1.00 0.00 H new ATOM 0 HA ARG A 63 1.574 10.657 6.340 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.840 10.600 4.204 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.643 11.643 3.461 1.00 0.00 H new ATOM 0 HG2 ARG A 63 3.181 13.241 4.032 1.00 0.00 H new ATOM 0 HG3 ARG A 63 2.253 13.237 5.518 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.877 12.029 6.701 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.551 11.308 5.253 1.00 0.00 H new ATOM 0 HE ARG A 63 5.930 13.173 4.951 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.445 13.819 7.374 1.00 0.00 H new ATOM 0 HH12 ARG A 63 4.187 15.335 7.898 1.00 0.00 H new ATOM 0 HH21 ARG A 63 6.877 15.120 5.631 1.00 0.00 H new ATOM 0 HH22 ARG A 63 6.122 16.068 6.916 1.00 0.00 H new ATOM 937 N GLN A 64 -0.527 11.987 6.860 1.00 0.00 N ATOM 938 CA GLN A 64 -1.523 12.982 7.240 1.00 0.00 C ATOM 939 C GLN A 64 -0.938 13.989 8.223 1.00 0.00 C ATOM 940 O GLN A 64 0.145 13.781 8.771 1.00 0.00 O ATOM 941 CB GLN A 64 -2.746 12.301 7.856 1.00 0.00 C ATOM 942 CG GLN A 64 -3.772 11.850 6.829 1.00 0.00 C ATOM 943 CD GLN A 64 -5.073 11.400 7.464 1.00 0.00 C ATOM 944 OE1 GLN A 64 -5.474 10.243 7.332 1.00 0.00 O ATOM 945 NE2 GLN A 64 -5.742 12.314 8.156 1.00 0.00 N ATOM 0 H GLN A 64 -0.330 11.291 7.579 1.00 0.00 H new ATOM 0 HA GLN A 64 -1.828 13.516 6.340 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -2.418 11.437 8.434 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -3.222 12.989 8.555 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.973 12.669 6.138 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -3.357 11.032 6.241 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -5.373 13.261 8.240 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -6.625 12.069 8.604 1.00 0.00 H new ATOM 954 N MET A 65 -1.661 15.083 8.444 1.00 0.00 N ATOM 955 CA MET A 65 -1.214 16.122 9.363 1.00 0.00 C ATOM 956 C MET A 65 -1.950 16.025 10.696 1.00 0.00 C ATOM 957 O MET A 65 -3.180 16.040 10.738 1.00 0.00 O ATOM 958 CB MET A 65 -1.431 17.505 8.748 1.00 0.00 C ATOM 959 CG MET A 65 -0.549 18.586 9.352 1.00 0.00 C ATOM 960 SD MET A 65 1.061 18.698 8.548 1.00 0.00 S ATOM 961 CE MET A 65 1.944 19.742 9.705 1.00 0.00 C ATOM 0 H MET A 65 -2.559 15.272 7.999 1.00 0.00 H new ATOM 0 HA MET A 65 -0.149 15.976 9.545 1.00 0.00 H new ATOM 0 HB2 MET A 65 -1.241 17.450 7.676 1.00 0.00 H new ATOM 0 HB3 MET A 65 -2.476 17.789 8.873 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.056 19.548 9.276 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.407 18.383 10.414 1.00 0.00 H new ATOM 0 HE1 MET A 65 2.960 19.904 9.346 1.00 0.00 H new ATOM 0 HE2 MET A 65 1.433 20.701 9.793 1.00 0.00 H new ATOM 0 HE3 MET A 65 1.977 19.257 10.681 1.00 0.00 H new ATOM 971 N HIS A 66 -1.189 15.923 11.780 1.00 0.00 N ATOM 972 CA HIS A 66 -1.771 15.822 13.115 1.00 0.00 C ATOM 973 C HIS A 66 -1.051 16.747 14.092 1.00 0.00 C ATOM 974 O HIS A 66 0.162 16.933 14.007 1.00 0.00 O ATOM 975 CB HIS A 66 -1.702 14.379 13.617 1.00 0.00 C ATOM 976 CG HIS A 66 -2.704 14.069 14.686 1.00 0.00 C ATOM 977 ND1 HIS A 66 -2.364 13.486 15.889 1.00 0.00 N ATOM 978 CD2 HIS A 66 -4.043 14.266 14.729 1.00 0.00 C ATOM 979 CE1 HIS A 66 -3.451 13.336 16.624 1.00 0.00 C ATOM 980 NE2 HIS A 66 -4.483 13.802 15.944 1.00 0.00 N ATOM 0 H HIS A 66 -0.169 15.908 11.762 1.00 0.00 H new ATOM 0 HA HIS A 66 -2.815 16.128 13.053 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -1.858 13.703 12.777 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -0.701 14.184 14.001 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -4.651 14.706 13.953 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.490 12.905 17.614 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -5.450 13.815 16.269 1.00 0.00 H new ATOM 989 N ASN A 67 -1.808 17.325 15.018 1.00 0.00 N ATOM 990 CA ASN A 67 -1.243 18.232 16.011 1.00 0.00 C ATOM 991 C ASN A 67 -0.235 19.181 15.369 1.00 0.00 C ATOM 992 O ASN A 67 0.752 19.569 15.993 1.00 0.00 O ATOM 993 CB ASN A 67 -0.569 17.438 17.132 1.00 0.00 C ATOM 994 CG ASN A 67 -1.565 16.917 18.151 1.00 0.00 C ATOM 995 OD1 ASN A 67 -2.348 17.681 18.717 1.00 0.00 O ATOM 996 ND2 ASN A 67 -1.539 15.612 18.390 1.00 0.00 N ATOM 0 H ASN A 67 -2.814 17.182 15.102 1.00 0.00 H new ATOM 0 HA ASN A 67 -2.056 18.823 16.431 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -0.022 16.600 16.701 1.00 0.00 H new ATOM 0 HB3 ASN A 67 0.162 18.072 17.634 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -2.185 15.204 19.066 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -0.873 15.017 17.898 1.00 0.00 H new ATOM 1003 N GLY A 68 -0.494 19.551 14.119 1.00 0.00 N ATOM 1004 CA GLY A 68 0.399 20.453 13.413 1.00 0.00 C ATOM 1005 C GLY A 68 1.845 20.002 13.474 1.00 0.00 C ATOM 1006 O GLY A 68 2.753 20.820 13.628 1.00 0.00 O ATOM 0 H GLY A 68 -1.305 19.243 13.582 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.088 20.526 12.371 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.315 21.452 13.841 1.00 0.00 H new ATOM 1010 N THR A 69 2.062 18.696 13.354 1.00 0.00 N ATOM 1011 CA THR A 69 3.408 18.138 13.399 1.00 0.00 C ATOM 1012 C THR A 69 3.589 17.054 12.342 1.00 0.00 C ATOM 1013 O THR A 69 2.641 16.350 11.993 1.00 0.00 O ATOM 1014 CB THR A 69 3.724 17.545 14.785 1.00 0.00 C ATOM 1015 OG1 THR A 69 5.135 17.343 14.922 1.00 0.00 O ATOM 1016 CG2 THR A 69 2.996 16.225 14.988 1.00 0.00 C ATOM 0 H THR A 69 1.323 18.005 13.225 1.00 0.00 H new ATOM 0 HA THR A 69 4.097 18.958 13.197 1.00 0.00 H new ATOM 0 HB THR A 69 3.383 18.250 15.543 1.00 0.00 H new ATOM 0 HG1 THR A 69 5.327 16.967 15.807 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.235 15.826 15.974 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.921 16.387 14.913 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.310 15.515 14.223 1.00 0.00 H new ATOM 1024 N HIS A 70 4.812 16.924 11.837 1.00 0.00 N ATOM 1025 CA HIS A 70 5.117 15.923 10.821 1.00 0.00 C ATOM 1026 C HIS A 70 5.138 14.523 11.426 1.00 0.00 C ATOM 1027 O HIS A 70 6.061 14.166 12.160 1.00 0.00 O ATOM 1028 CB HIS A 70 6.463 16.228 10.163 1.00 0.00 C ATOM 1029 CG HIS A 70 7.628 16.102 11.097 1.00 0.00 C ATOM 1030 ND1 HIS A 70 8.028 17.116 11.942 1.00 0.00 N ATOM 1031 CD2 HIS A 70 8.479 15.073 11.317 1.00 0.00 C ATOM 1032 CE1 HIS A 70 9.075 16.716 12.640 1.00 0.00 C ATOM 1033 NE2 HIS A 70 9.370 15.480 12.280 1.00 0.00 N ATOM 0 H HIS A 70 5.607 17.499 12.115 1.00 0.00 H new ATOM 0 HA HIS A 70 4.334 15.960 10.063 1.00 0.00 H new ATOM 0 HB2 HIS A 70 6.608 15.551 9.321 1.00 0.00 H new ATOM 0 HB3 HIS A 70 6.440 17.240 9.759 1.00 0.00 H new ATOM 0 HD2 HIS A 70 8.461 14.111 10.827 1.00 0.00 H new ATOM 0 HE1 HIS A 70 9.601 17.301 13.380 1.00 0.00 H new ATOM 0 HE2 HIS A 70 10.135 14.919 12.656 1.00 0.00 H new ATOM 1042 N VAL A 71 4.116 13.732 11.114 1.00 0.00 N ATOM 1043 CA VAL A 71 4.017 12.371 11.626 1.00 0.00 C ATOM 1044 C VAL A 71 3.304 11.461 10.633 1.00 0.00 C ATOM 1045 O VAL A 71 2.316 11.854 10.012 1.00 0.00 O ATOM 1046 CB VAL A 71 3.269 12.331 12.972 1.00 0.00 C ATOM 1047 CG1 VAL A 71 1.853 12.862 12.812 1.00 0.00 C ATOM 1048 CG2 VAL A 71 3.257 10.917 13.532 1.00 0.00 C ATOM 0 H VAL A 71 3.344 14.011 10.508 1.00 0.00 H new ATOM 0 HA VAL A 71 5.036 12.013 11.775 1.00 0.00 H new ATOM 0 HB VAL A 71 3.794 12.973 13.679 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.340 12.826 13.773 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.889 13.892 12.458 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.314 12.249 12.090 1.00 0.00 H new ATOM 0 HG21 VAL A 71 2.725 10.907 14.483 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.756 10.251 12.829 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.281 10.578 13.686 1.00 0.00 H new ATOM 1058 N VAL A 72 3.811 10.241 10.488 1.00 0.00 N ATOM 1059 CA VAL A 72 3.221 9.272 9.571 1.00 0.00 C ATOM 1060 C VAL A 72 2.513 8.157 10.331 1.00 0.00 C ATOM 1061 O VAL A 72 2.977 7.716 11.383 1.00 0.00 O ATOM 1062 CB VAL A 72 4.287 8.652 8.649 1.00 0.00 C ATOM 1063 CG1 VAL A 72 3.670 7.575 7.768 1.00 0.00 C ATOM 1064 CG2 VAL A 72 4.950 9.729 7.802 1.00 0.00 C ATOM 0 H VAL A 72 4.629 9.900 10.993 1.00 0.00 H new ATOM 0 HA VAL A 72 2.495 9.812 8.964 1.00 0.00 H new ATOM 0 HB VAL A 72 5.053 8.186 9.269 1.00 0.00 H new ATOM 0 HG11 VAL A 72 4.438 7.148 7.123 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.246 6.791 8.395 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.884 8.014 7.154 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.701 9.273 7.156 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.197 10.225 7.189 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.428 10.461 8.453 1.00 0.00 H new ATOM 1074 N ARG A 73 1.385 7.704 9.792 1.00 0.00 N ATOM 1075 CA ARG A 73 0.610 6.641 10.420 1.00 0.00 C ATOM 1076 C ARG A 73 0.670 5.362 9.589 1.00 0.00 C ATOM 1077 O ARG A 73 1.000 5.395 8.403 1.00 0.00 O ATOM 1078 CB ARG A 73 -0.845 7.078 10.600 1.00 0.00 C ATOM 1079 CG ARG A 73 -1.653 6.153 11.496 1.00 0.00 C ATOM 1080 CD ARG A 73 -2.764 6.903 12.213 1.00 0.00 C ATOM 1081 NE ARG A 73 -2.255 7.706 13.322 1.00 0.00 N ATOM 1082 CZ ARG A 73 -3.006 8.546 14.026 1.00 0.00 C ATOM 1083 NH1 ARG A 73 -4.292 8.691 13.738 1.00 0.00 N ATOM 1084 NH2 ARG A 73 -2.470 9.241 15.021 1.00 0.00 N ATOM 0 H ARG A 73 0.988 8.057 8.921 1.00 0.00 H new ATOM 0 HA ARG A 73 1.044 6.439 11.399 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -0.864 8.084 11.019 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.323 7.131 9.622 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -2.082 5.349 10.898 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -0.994 5.688 12.229 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.281 7.550 11.504 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -3.499 6.191 12.588 1.00 0.00 H new ATOM 0 HE ARG A 73 -1.269 7.617 13.569 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -4.707 8.157 12.974 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -4.866 9.337 14.280 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -1.481 9.130 15.246 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -3.047 9.886 15.561 1.00 0.00 H new ATOM 1098 N HIS A 74 0.348 4.237 10.221 1.00 0.00 N ATOM 1099 CA HIS A 74 0.366 2.947 9.540 1.00 0.00 C ATOM 1100 C HIS A 74 -0.747 2.043 10.063 1.00 0.00 C ATOM 1101 O HIS A 74 -0.700 1.582 11.204 1.00 0.00 O ATOM 1102 CB HIS A 74 1.722 2.267 9.725 1.00 0.00 C ATOM 1103 CG HIS A 74 2.073 2.010 11.159 1.00 0.00 C ATOM 1104 ND1 HIS A 74 2.369 0.755 11.647 1.00 0.00 N ATOM 1105 CD2 HIS A 74 2.176 2.856 12.209 1.00 0.00 C ATOM 1106 CE1 HIS A 74 2.637 0.840 12.938 1.00 0.00 C ATOM 1107 NE2 HIS A 74 2.527 2.105 13.304 1.00 0.00 N ATOM 0 H HIS A 74 0.072 4.193 11.202 1.00 0.00 H new ATOM 0 HA HIS A 74 0.200 3.122 8.477 1.00 0.00 H new ATOM 0 HB2 HIS A 74 1.721 1.320 9.184 1.00 0.00 H new ATOM 0 HB3 HIS A 74 2.496 2.890 9.276 1.00 0.00 H new ATOM 0 HD2 HIS A 74 2.013 3.923 12.190 1.00 0.00 H new ATOM 0 HE1 HIS A 74 2.901 0.016 13.584 1.00 0.00 H new ATOM 0 HE2 HIS A 74 2.678 2.465 14.246 1.00 0.00 H new ATOM 1116 N TYR A 75 -1.743 1.792 9.222 1.00 0.00 N ATOM 1117 CA TYR A 75 -2.867 0.945 9.600 1.00 0.00 C ATOM 1118 C TYR A 75 -2.534 -0.529 9.394 1.00 0.00 C ATOM 1119 O TYR A 75 -2.155 -0.945 8.298 1.00 0.00 O ATOM 1120 CB TYR A 75 -4.110 1.318 8.788 1.00 0.00 C ATOM 1121 CG TYR A 75 -4.628 2.708 9.078 1.00 0.00 C ATOM 1122 CD1 TYR A 75 -4.037 3.825 8.501 1.00 0.00 C ATOM 1123 CD2 TYR A 75 -5.710 2.904 9.927 1.00 0.00 C ATOM 1124 CE1 TYR A 75 -4.507 5.097 8.763 1.00 0.00 C ATOM 1125 CE2 TYR A 75 -6.188 4.173 10.194 1.00 0.00 C ATOM 1126 CZ TYR A 75 -5.583 5.265 9.610 1.00 0.00 C ATOM 1127 OH TYR A 75 -6.055 6.531 9.872 1.00 0.00 O ATOM 0 H TYR A 75 -1.795 2.163 8.273 1.00 0.00 H new ATOM 0 HA TYR A 75 -3.070 1.107 10.659 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -3.877 1.241 7.726 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -4.899 0.595 8.995 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -3.196 3.697 7.836 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -6.186 2.050 10.386 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -4.035 5.955 8.308 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -7.030 4.308 10.856 1.00 0.00 H new ATOM 0 HH TYR A 75 -6.817 6.476 10.486 1.00 0.00 H new ATOM 1137 N LYS A 76 -2.678 -1.316 10.454 1.00 0.00 N ATOM 1138 CA LYS A 76 -2.395 -2.746 10.391 1.00 0.00 C ATOM 1139 C LYS A 76 -3.581 -3.511 9.813 1.00 0.00 C ATOM 1140 O LYS A 76 -4.736 -3.160 10.054 1.00 0.00 O ATOM 1141 CB LYS A 76 -2.058 -3.281 11.784 1.00 0.00 C ATOM 1142 CG LYS A 76 -1.636 -4.740 11.790 1.00 0.00 C ATOM 1143 CD LYS A 76 -2.829 -5.666 11.959 1.00 0.00 C ATOM 1144 CE LYS A 76 -2.438 -6.955 12.664 1.00 0.00 C ATOM 1145 NZ LYS A 76 -1.641 -7.851 11.780 1.00 0.00 N ATOM 0 H LYS A 76 -2.989 -0.988 11.368 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.537 -2.893 9.735 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.257 -2.678 12.211 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.927 -3.160 12.430 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.122 -4.975 10.858 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.925 -4.910 12.598 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.606 -5.159 12.530 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.252 -5.898 10.982 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.860 -6.719 13.558 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -3.337 -7.476 12.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.394 -8.719 12.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.201 -8.097 10.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.771 -7.364 11.486 1.00 0.00 H new ATOM 1159 N VAL A 77 -3.288 -4.558 9.050 1.00 0.00 N ATOM 1160 CA VAL A 77 -4.330 -5.374 8.439 1.00 0.00 C ATOM 1161 C VAL A 77 -4.266 -6.813 8.941 1.00 0.00 C ATOM 1162 O VAL A 77 -3.375 -7.575 8.563 1.00 0.00 O ATOM 1163 CB VAL A 77 -4.217 -5.373 6.902 1.00 0.00 C ATOM 1164 CG1 VAL A 77 -5.282 -6.268 6.288 1.00 0.00 C ATOM 1165 CG2 VAL A 77 -4.324 -3.955 6.363 1.00 0.00 C ATOM 0 H VAL A 77 -2.337 -4.862 8.840 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.285 -4.933 8.726 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.240 -5.770 6.625 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.187 -6.255 5.202 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.154 -7.288 6.651 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.270 -5.904 6.570 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.242 -3.972 5.276 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.286 -3.529 6.648 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.521 -3.346 6.778 1.00 0.00 H new ATOM 1175 N LYS A 78 -5.216 -7.179 9.794 1.00 0.00 N ATOM 1176 CA LYS A 78 -5.271 -8.527 10.347 1.00 0.00 C ATOM 1177 C LYS A 78 -5.640 -9.543 9.271 1.00 0.00 C ATOM 1178 O LYS A 78 -6.417 -9.245 8.364 1.00 0.00 O ATOM 1179 CB LYS A 78 -6.284 -8.590 11.492 1.00 0.00 C ATOM 1180 CG LYS A 78 -6.052 -9.747 12.447 1.00 0.00 C ATOM 1181 CD LYS A 78 -6.796 -10.995 12.004 1.00 0.00 C ATOM 1182 CE LYS A 78 -6.939 -11.993 13.142 1.00 0.00 C ATOM 1183 NZ LYS A 78 -5.716 -12.825 13.308 1.00 0.00 N ATOM 0 H LYS A 78 -5.959 -6.560 10.118 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.282 -8.775 10.731 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.246 -7.655 12.051 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.287 -8.671 11.074 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -4.985 -9.961 12.508 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.378 -9.464 13.448 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.784 -10.719 11.635 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -6.264 -11.461 11.175 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.143 -11.459 14.070 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.795 -12.640 12.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.854 -13.492 14.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.535 -13.355 12.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.903 -12.210 13.515 1.00 0.00 H new ATOM 1197 N ARG A 79 -5.080 -10.742 9.379 1.00 0.00 N ATOM 1198 CA ARG A 79 -5.350 -11.801 8.415 1.00 0.00 C ATOM 1199 C ARG A 79 -6.289 -12.850 9.007 1.00 0.00 C ATOM 1200 O ARG A 79 -5.885 -13.655 9.845 1.00 0.00 O ATOM 1201 CB ARG A 79 -4.044 -12.465 7.973 1.00 0.00 C ATOM 1202 CG ARG A 79 -4.233 -13.532 6.907 1.00 0.00 C ATOM 1203 CD ARG A 79 -4.563 -12.916 5.556 1.00 0.00 C ATOM 1204 NE ARG A 79 -3.393 -12.308 4.930 1.00 0.00 N ATOM 1205 CZ ARG A 79 -3.046 -11.037 5.100 1.00 0.00 C ATOM 1206 NH1 ARG A 79 -3.776 -10.244 5.873 1.00 0.00 N ATOM 1207 NH2 ARG A 79 -1.967 -10.556 4.497 1.00 0.00 N ATOM 0 H ARG A 79 -4.436 -11.005 10.125 1.00 0.00 H new ATOM 0 HA ARG A 79 -5.834 -11.351 7.548 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -3.368 -11.699 7.593 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -3.562 -12.913 8.842 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -3.325 -14.130 6.824 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -5.034 -14.208 7.205 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -4.968 -13.684 4.897 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -5.340 -12.162 5.682 1.00 0.00 H new ATOM 0 HE ARG A 79 -2.810 -12.891 4.329 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -4.606 -10.610 6.339 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -3.507 -9.269 6.002 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -1.402 -11.162 3.902 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -1.702 -9.580 4.628 1.00 0.00 H new ATOM 1221 N GLU A 80 -7.542 -12.829 8.566 1.00 0.00 N ATOM 1222 CA GLU A 80 -8.538 -13.777 9.054 1.00 0.00 C ATOM 1223 C GLU A 80 -9.282 -14.432 7.893 1.00 0.00 C ATOM 1224 O GLU A 80 -10.273 -13.899 7.397 1.00 0.00 O ATOM 1225 CB GLU A 80 -9.533 -13.074 9.979 1.00 0.00 C ATOM 1226 CG GLU A 80 -10.299 -14.024 10.884 1.00 0.00 C ATOM 1227 CD GLU A 80 -11.245 -14.926 10.115 1.00 0.00 C ATOM 1228 OE1 GLU A 80 -10.776 -15.935 9.550 1.00 0.00 O ATOM 1229 OE2 GLU A 80 -12.457 -14.622 10.080 1.00 0.00 O ATOM 0 H GLU A 80 -7.892 -12.168 7.873 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.018 -14.554 9.614 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.996 -12.353 10.595 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.243 -12.510 9.374 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.592 -14.637 11.443 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.866 -13.447 11.614 1.00 0.00 H new ATOM 1236 N GLY A 81 -8.793 -15.591 7.464 1.00 0.00 N ATOM 1237 CA GLY A 81 -9.422 -16.300 6.364 1.00 0.00 C ATOM 1238 C GLY A 81 -9.259 -15.578 5.041 1.00 0.00 C ATOM 1239 O GLY A 81 -8.335 -14.788 4.849 1.00 0.00 O ATOM 0 H GLY A 81 -7.973 -16.052 7.858 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -8.991 -17.298 6.285 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.483 -16.427 6.577 1.00 0.00 H new ATOM 1243 N PRO A 82 -10.174 -15.849 4.099 1.00 0.00 N ATOM 1244 CA PRO A 82 -10.149 -15.231 2.769 1.00 0.00 C ATOM 1245 C PRO A 82 -10.493 -13.747 2.815 1.00 0.00 C ATOM 1246 O PRO A 82 -10.573 -13.085 1.779 1.00 0.00 O ATOM 1247 CB PRO A 82 -11.221 -16.006 1.998 1.00 0.00 C ATOM 1248 CG PRO A 82 -12.152 -16.510 3.046 1.00 0.00 C ATOM 1249 CD PRO A 82 -11.304 -16.781 4.257 1.00 0.00 C ATOM 0 HA PRO A 82 -9.160 -15.280 2.314 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -11.738 -15.364 1.285 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -10.784 -16.827 1.429 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -12.925 -15.774 3.268 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -12.660 -17.416 2.714 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -11.852 -16.595 5.181 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -10.968 -17.818 4.289 1.00 0.00 H new ATOM 1257 N LYS A 83 -10.696 -13.227 4.020 1.00 0.00 N ATOM 1258 CA LYS A 83 -11.030 -11.819 4.201 1.00 0.00 C ATOM 1259 C LYS A 83 -10.028 -11.137 5.127 1.00 0.00 C ATOM 1260 O LYS A 83 -9.184 -11.795 5.737 1.00 0.00 O ATOM 1261 CB LYS A 83 -12.444 -11.678 4.769 1.00 0.00 C ATOM 1262 CG LYS A 83 -12.734 -12.625 5.921 1.00 0.00 C ATOM 1263 CD LYS A 83 -12.195 -12.087 7.236 1.00 0.00 C ATOM 1264 CE LYS A 83 -13.046 -10.939 7.757 1.00 0.00 C ATOM 1265 NZ LYS A 83 -14.418 -11.387 8.125 1.00 0.00 N ATOM 0 H LYS A 83 -10.635 -13.760 4.887 1.00 0.00 H new ATOM 0 HA LYS A 83 -10.987 -11.333 3.226 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -12.590 -10.652 5.107 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -13.166 -11.857 3.972 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -13.810 -12.779 6.004 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -12.287 -13.598 5.715 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.170 -12.888 7.975 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -11.168 -11.748 7.098 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -12.563 -10.495 8.628 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -13.110 -10.160 6.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -14.782 -10.792 8.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -15.044 -11.304 7.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -14.387 -12.378 8.438 1.00 0.00 H new ATOM 1279 N TYR A 84 -10.128 -9.817 5.230 1.00 0.00 N ATOM 1280 CA TYR A 84 -9.229 -9.046 6.080 1.00 0.00 C ATOM 1281 C TYR A 84 -10.016 -8.171 7.053 1.00 0.00 C ATOM 1282 O TYR A 84 -11.199 -7.901 6.845 1.00 0.00 O ATOM 1283 CB TYR A 84 -8.306 -8.175 5.228 1.00 0.00 C ATOM 1284 CG TYR A 84 -7.645 -8.925 4.092 1.00 0.00 C ATOM 1285 CD1 TYR A 84 -6.939 -10.097 4.326 1.00 0.00 C ATOM 1286 CD2 TYR A 84 -7.728 -8.459 2.785 1.00 0.00 C ATOM 1287 CE1 TYR A 84 -6.333 -10.786 3.293 1.00 0.00 C ATOM 1288 CE2 TYR A 84 -7.127 -9.141 1.745 1.00 0.00 C ATOM 1289 CZ TYR A 84 -6.431 -10.304 2.004 1.00 0.00 C ATOM 1290 OH TYR A 84 -5.830 -10.985 0.970 1.00 0.00 O ATOM 0 H TYR A 84 -10.823 -9.258 4.735 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.625 -9.748 6.655 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -8.880 -7.344 4.818 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -7.534 -7.745 5.866 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -6.862 -10.477 5.334 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -8.271 -7.549 2.579 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -5.786 -11.696 3.493 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -7.201 -8.766 0.735 1.00 0.00 H new ATOM 0 HH TYR A 84 -5.995 -10.513 0.127 1.00 0.00 H new ATOM 1300 N VAL A 85 -9.349 -7.732 8.115 1.00 0.00 N ATOM 1301 CA VAL A 85 -9.984 -6.887 9.120 1.00 0.00 C ATOM 1302 C VAL A 85 -9.136 -5.655 9.416 1.00 0.00 C ATOM 1303 O VAL A 85 -7.950 -5.766 9.726 1.00 0.00 O ATOM 1304 CB VAL A 85 -10.226 -7.658 10.431 1.00 0.00 C ATOM 1305 CG1 VAL A 85 -10.829 -6.743 11.485 1.00 0.00 C ATOM 1306 CG2 VAL A 85 -11.122 -8.863 10.183 1.00 0.00 C ATOM 0 H VAL A 85 -8.370 -7.947 8.302 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.944 -6.574 8.710 1.00 0.00 H new ATOM 0 HB VAL A 85 -9.267 -8.018 10.803 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -10.993 -7.305 12.404 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -10.147 -5.916 11.682 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -11.780 -6.351 11.125 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.282 -9.396 11.120 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -12.081 -8.528 9.787 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -10.645 -9.529 9.464 1.00 0.00 H new ATOM 1316 N ILE A 86 -9.753 -4.482 9.321 1.00 0.00 N ATOM 1317 CA ILE A 86 -9.055 -3.229 9.581 1.00 0.00 C ATOM 1318 C ILE A 86 -8.841 -3.019 11.076 1.00 0.00 C ATOM 1319 O ILE A 86 -9.654 -3.446 11.895 1.00 0.00 O ATOM 1320 CB ILE A 86 -9.827 -2.025 9.010 1.00 0.00 C ATOM 1321 CG1 ILE A 86 -10.005 -2.176 7.498 1.00 0.00 C ATOM 1322 CG2 ILE A 86 -9.103 -0.728 9.337 1.00 0.00 C ATOM 1323 CD1 ILE A 86 -10.804 -1.056 6.868 1.00 0.00 C ATOM 0 H ILE A 86 -10.735 -4.373 9.066 1.00 0.00 H new ATOM 0 HA ILE A 86 -8.087 -3.298 9.084 1.00 0.00 H new ATOM 0 HB ILE A 86 -10.814 -1.993 9.471 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -9.023 -2.220 7.027 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.500 -3.125 7.292 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -9.661 0.114 8.927 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -9.024 -0.618 10.419 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -8.104 -0.749 8.900 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -10.890 -1.229 5.795 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -11.799 -1.025 7.311 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -10.299 -0.106 7.043 1.00 0.00 H new ATOM 1335 N ASP A 87 -7.743 -2.357 11.423 1.00 0.00 N ATOM 1336 CA ASP A 87 -7.423 -2.087 12.820 1.00 0.00 C ATOM 1337 C ASP A 87 -8.165 -0.851 13.319 1.00 0.00 C ATOM 1338 O ASP A 87 -7.579 0.022 13.960 1.00 0.00 O ATOM 1339 CB ASP A 87 -5.915 -1.895 12.993 1.00 0.00 C ATOM 1340 CG ASP A 87 -5.429 -2.333 14.360 1.00 0.00 C ATOM 1341 OD1 ASP A 87 -6.124 -3.146 15.004 1.00 0.00 O ATOM 1342 OD2 ASP A 87 -4.352 -1.863 14.785 1.00 0.00 O ATOM 0 H ASP A 87 -7.060 -1.997 10.757 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.743 -2.945 13.412 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.389 -2.462 12.225 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.666 -0.845 12.841 1.00 0.00 H new ATOM 1347 N VAL A 88 -9.458 -0.782 13.018 1.00 0.00 N ATOM 1348 CA VAL A 88 -10.281 0.347 13.435 1.00 0.00 C ATOM 1349 C VAL A 88 -11.295 -0.073 14.493 1.00 0.00 C ATOM 1350 O VAL A 88 -11.421 -1.256 14.810 1.00 0.00 O ATOM 1351 CB VAL A 88 -11.029 0.969 12.241 1.00 0.00 C ATOM 1352 CG1 VAL A 88 -10.063 1.720 11.338 1.00 0.00 C ATOM 1353 CG2 VAL A 88 -11.774 -0.105 11.463 1.00 0.00 C ATOM 0 H VAL A 88 -9.958 -1.495 12.487 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.606 1.091 13.858 1.00 0.00 H new ATOM 0 HB VAL A 88 -11.760 1.682 12.623 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -10.610 2.152 10.500 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -9.579 2.515 11.905 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -9.307 1.031 10.961 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -12.297 0.351 10.623 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -11.064 -0.843 11.091 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -12.496 -0.594 12.117 1.00 0.00 H new ATOM 1363 N GLU A 89 -12.017 0.903 15.035 1.00 0.00 N ATOM 1364 CA GLU A 89 -13.021 0.633 16.057 1.00 0.00 C ATOM 1365 C GLU A 89 -13.824 -0.618 15.715 1.00 0.00 C ATOM 1366 O GLU A 89 -13.991 -1.507 16.549 1.00 0.00 O ATOM 1367 CB GLU A 89 -13.961 1.831 16.209 1.00 0.00 C ATOM 1368 CG GLU A 89 -14.144 2.627 14.927 1.00 0.00 C ATOM 1369 CD GLU A 89 -15.330 3.569 14.991 1.00 0.00 C ATOM 1370 OE1 GLU A 89 -16.454 3.093 15.257 1.00 0.00 O ATOM 1371 OE2 GLU A 89 -15.135 4.783 14.773 1.00 0.00 O ATOM 0 H GLU A 89 -11.925 1.887 14.783 1.00 0.00 H new ATOM 0 HA GLU A 89 -12.504 0.464 17.002 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -14.934 1.478 16.550 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -13.572 2.491 16.984 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -13.239 3.201 14.728 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -14.276 1.939 14.092 1.00 0.00 H new ATOM 1378 N GLN A 90 -14.317 -0.679 14.483 1.00 0.00 N ATOM 1379 CA GLN A 90 -15.103 -1.820 14.030 1.00 0.00 C ATOM 1380 C GLN A 90 -14.325 -2.649 13.014 1.00 0.00 C ATOM 1381 O GLN A 90 -13.780 -2.130 12.039 1.00 0.00 O ATOM 1382 CB GLN A 90 -16.422 -1.346 13.417 1.00 0.00 C ATOM 1383 CG GLN A 90 -17.281 -2.477 12.873 1.00 0.00 C ATOM 1384 CD GLN A 90 -18.687 -2.028 12.529 1.00 0.00 C ATOM 1385 OE1 GLN A 90 -18.909 -0.876 12.152 1.00 0.00 O ATOM 1386 NE2 GLN A 90 -19.647 -2.936 12.655 1.00 0.00 N ATOM 0 H GLN A 90 -14.186 0.049 13.780 1.00 0.00 H new ATOM 0 HA GLN A 90 -15.317 -2.448 14.895 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -16.989 -0.801 14.172 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -16.207 -0.644 12.611 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -16.808 -2.891 11.983 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -17.330 -3.278 13.610 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -19.419 -3.879 12.970 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -20.613 -2.691 12.436 1.00 0.00 H new ATOM 1395 N PRO A 91 -14.269 -3.969 13.245 1.00 0.00 N ATOM 1396 CA PRO A 91 -13.559 -4.898 12.360 1.00 0.00 C ATOM 1397 C PRO A 91 -14.256 -5.064 11.014 1.00 0.00 C ATOM 1398 O PRO A 91 -15.067 -5.972 10.831 1.00 0.00 O ATOM 1399 CB PRO A 91 -13.580 -6.216 13.139 1.00 0.00 C ATOM 1400 CG PRO A 91 -14.772 -6.111 14.027 1.00 0.00 C ATOM 1401 CD PRO A 91 -14.894 -4.656 14.387 1.00 0.00 C ATOM 0 HA PRO A 91 -12.556 -4.545 12.119 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -13.660 -7.071 12.468 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -12.666 -6.349 13.717 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -15.669 -6.464 13.519 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -14.649 -6.725 14.919 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -15.935 -4.359 14.514 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -14.382 -4.429 15.322 1.00 0.00 H new ATOM 1409 N PHE A 92 -13.937 -4.181 10.075 1.00 0.00 N ATOM 1410 CA PHE A 92 -14.534 -4.229 8.745 1.00 0.00 C ATOM 1411 C PHE A 92 -13.977 -5.401 7.941 1.00 0.00 C ATOM 1412 O PHE A 92 -12.786 -5.448 7.634 1.00 0.00 O ATOM 1413 CB PHE A 92 -14.276 -2.918 7.999 1.00 0.00 C ATOM 1414 CG PHE A 92 -14.539 -3.006 6.523 1.00 0.00 C ATOM 1415 CD1 PHE A 92 -15.823 -3.214 6.047 1.00 0.00 C ATOM 1416 CD2 PHE A 92 -13.503 -2.881 5.612 1.00 0.00 C ATOM 1417 CE1 PHE A 92 -16.070 -3.296 4.689 1.00 0.00 C ATOM 1418 CE2 PHE A 92 -13.743 -2.961 4.253 1.00 0.00 C ATOM 1419 CZ PHE A 92 -15.029 -3.169 3.791 1.00 0.00 C ATOM 0 H PHE A 92 -13.268 -3.423 10.210 1.00 0.00 H new ATOM 0 HA PHE A 92 -15.609 -4.368 8.862 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -14.905 -2.137 8.426 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -13.241 -2.617 8.158 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -16.641 -3.313 6.745 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -12.496 -2.719 5.968 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -17.076 -3.459 4.331 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -12.927 -2.861 3.553 1.00 0.00 H new ATOM 0 HZ PHE A 92 -15.219 -3.232 2.730 1.00 0.00 H new ATOM 1429 N SER A 93 -14.850 -6.347 7.605 1.00 0.00 N ATOM 1430 CA SER A 93 -14.446 -7.522 6.842 1.00 0.00 C ATOM 1431 C SER A 93 -14.571 -7.265 5.343 1.00 0.00 C ATOM 1432 O SER A 93 -15.599 -6.780 4.869 1.00 0.00 O ATOM 1433 CB SER A 93 -15.298 -8.730 7.237 1.00 0.00 C ATOM 1434 OG SER A 93 -16.674 -8.478 7.014 1.00 0.00 O ATOM 0 H SER A 93 -15.840 -6.322 7.849 1.00 0.00 H new ATOM 0 HA SER A 93 -13.401 -7.733 7.071 1.00 0.00 H new ATOM 0 HB2 SER A 93 -14.987 -9.602 6.662 1.00 0.00 H new ATOM 0 HB3 SER A 93 -15.134 -8.966 8.288 1.00 0.00 H new ATOM 0 HG SER A 93 -16.774 -7.820 6.294 1.00 0.00 H new ATOM 1440 N CYS A 94 -13.518 -7.595 4.604 1.00 0.00 N ATOM 1441 CA CYS A 94 -13.508 -7.400 3.158 1.00 0.00 C ATOM 1442 C CYS A 94 -13.195 -8.706 2.435 1.00 0.00 C ATOM 1443 O CYS A 94 -12.898 -9.722 3.066 1.00 0.00 O ATOM 1444 CB CYS A 94 -12.482 -6.333 2.774 1.00 0.00 C ATOM 1445 SG CYS A 94 -10.764 -6.831 3.040 1.00 0.00 S ATOM 0 H CYS A 94 -12.661 -7.999 4.981 1.00 0.00 H new ATOM 0 HA CYS A 94 -14.500 -7.066 2.854 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -12.616 -6.077 1.723 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -12.680 -5.429 3.350 1.00 0.00 H new ATOM 0 HG CYS A 94 -10.107 -6.739 1.922 1.00 0.00 H new ATOM 1451 N THR A 95 -13.268 -8.674 1.108 1.00 0.00 N ATOM 1452 CA THR A 95 -12.997 -9.857 0.300 1.00 0.00 C ATOM 1453 C THR A 95 -11.570 -9.838 -0.238 1.00 0.00 C ATOM 1454 O THR A 95 -10.941 -10.886 -0.389 1.00 0.00 O ATOM 1455 CB THR A 95 -13.978 -9.964 -0.883 1.00 0.00 C ATOM 1456 OG1 THR A 95 -13.694 -11.142 -1.647 1.00 0.00 O ATOM 1457 CG2 THR A 95 -13.884 -8.738 -1.778 1.00 0.00 C ATOM 0 H THR A 95 -13.512 -7.842 0.570 1.00 0.00 H new ATOM 0 HA THR A 95 -13.127 -10.722 0.950 1.00 0.00 H new ATOM 0 HB THR A 95 -14.990 -10.024 -0.483 1.00 0.00 H new ATOM 0 HG1 THR A 95 -14.322 -11.205 -2.397 1.00 0.00 H new ATOM 0 HG21 THR A 95 -14.586 -8.837 -2.606 1.00 0.00 H new ATOM 0 HG22 THR A 95 -14.128 -7.846 -1.200 1.00 0.00 H new ATOM 0 HG23 THR A 95 -12.871 -8.651 -2.170 1.00 0.00 H new ATOM 1465 N SER A 96 -11.065 -8.643 -0.524 1.00 0.00 N ATOM 1466 CA SER A 96 -9.712 -8.490 -1.048 1.00 0.00 C ATOM 1467 C SER A 96 -9.095 -7.176 -0.581 1.00 0.00 C ATOM 1468 O SER A 96 -9.796 -6.279 -0.112 1.00 0.00 O ATOM 1469 CB SER A 96 -9.726 -8.546 -2.576 1.00 0.00 C ATOM 1470 OG SER A 96 -8.446 -8.251 -3.109 1.00 0.00 O ATOM 0 H SER A 96 -11.572 -7.766 -0.402 1.00 0.00 H new ATOM 0 HA SER A 96 -9.105 -9.312 -0.667 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.040 -9.537 -2.904 1.00 0.00 H new ATOM 0 HB3 SER A 96 -10.457 -7.836 -2.962 1.00 0.00 H new ATOM 0 HG SER A 96 -8.481 -8.295 -4.087 1.00 0.00 H new ATOM 1476 N LEU A 97 -7.777 -7.069 -0.712 1.00 0.00 N ATOM 1477 CA LEU A 97 -7.063 -5.864 -0.305 1.00 0.00 C ATOM 1478 C LEU A 97 -7.674 -4.624 -0.950 1.00 0.00 C ATOM 1479 O LEU A 97 -7.920 -3.621 -0.279 1.00 0.00 O ATOM 1480 CB LEU A 97 -5.584 -5.973 -0.681 1.00 0.00 C ATOM 1481 CG LEU A 97 -4.739 -6.910 0.183 1.00 0.00 C ATOM 1482 CD1 LEU A 97 -3.430 -7.244 -0.516 1.00 0.00 C ATOM 1483 CD2 LEU A 97 -4.474 -6.285 1.545 1.00 0.00 C ATOM 0 H LEU A 97 -7.181 -7.802 -1.097 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.151 -5.767 0.777 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.517 -6.307 -1.716 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.144 -4.976 -0.638 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.294 -7.836 0.332 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.842 -7.912 0.113 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.640 -7.733 -1.467 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.869 -6.327 -0.696 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.871 -6.966 2.147 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.939 -5.344 1.416 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.422 -6.097 2.050 1.00 0.00 H new ATOM 1495 N ASP A 98 -7.918 -4.700 -2.253 1.00 0.00 N ATOM 1496 CA ASP A 98 -8.503 -3.586 -2.988 1.00 0.00 C ATOM 1497 C ASP A 98 -9.556 -2.872 -2.146 1.00 0.00 C ATOM 1498 O ASP A 98 -9.535 -1.650 -2.013 1.00 0.00 O ATOM 1499 CB ASP A 98 -9.125 -4.079 -4.295 1.00 0.00 C ATOM 1500 CG ASP A 98 -10.124 -3.093 -4.870 1.00 0.00 C ATOM 1501 OD1 ASP A 98 -9.843 -1.877 -4.836 1.00 0.00 O ATOM 1502 OD2 ASP A 98 -11.185 -3.538 -5.353 1.00 0.00 O ATOM 0 H ASP A 98 -7.719 -5.523 -2.822 1.00 0.00 H new ATOM 0 HA ASP A 98 -7.707 -2.878 -3.219 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -8.335 -4.259 -5.025 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -9.621 -5.034 -4.120 1.00 0.00 H new ATOM 1507 N ALA A 99 -10.477 -3.646 -1.581 1.00 0.00 N ATOM 1508 CA ALA A 99 -11.538 -3.089 -0.750 1.00 0.00 C ATOM 1509 C ALA A 99 -10.968 -2.175 0.329 1.00 0.00 C ATOM 1510 O ALA A 99 -11.404 -1.035 0.485 1.00 0.00 O ATOM 1511 CB ALA A 99 -12.358 -4.206 -0.121 1.00 0.00 C ATOM 0 H ALA A 99 -10.510 -4.660 -1.683 1.00 0.00 H new ATOM 0 HA ALA A 99 -12.189 -2.491 -1.388 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -13.146 -3.775 0.497 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -12.805 -4.816 -0.906 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -11.711 -4.828 0.498 1.00 0.00 H new ATOM 1517 N VAL A 100 -9.992 -2.685 1.074 1.00 0.00 N ATOM 1518 CA VAL A 100 -9.361 -1.915 2.140 1.00 0.00 C ATOM 1519 C VAL A 100 -9.079 -0.485 1.691 1.00 0.00 C ATOM 1520 O VAL A 100 -9.427 0.473 2.381 1.00 0.00 O ATOM 1521 CB VAL A 100 -8.044 -2.567 2.600 1.00 0.00 C ATOM 1522 CG1 VAL A 100 -7.422 -1.770 3.736 1.00 0.00 C ATOM 1523 CG2 VAL A 100 -8.282 -4.010 3.017 1.00 0.00 C ATOM 0 H VAL A 100 -9.621 -3.628 0.959 1.00 0.00 H new ATOM 0 HA VAL A 100 -10.060 -1.899 2.976 1.00 0.00 H new ATOM 0 HB VAL A 100 -7.346 -2.565 1.763 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -6.492 -2.246 4.048 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -7.214 -0.755 3.397 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -8.113 -1.737 4.578 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -7.341 -4.456 3.339 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -8.997 -4.038 3.839 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -8.679 -4.572 2.172 1.00 0.00 H new ATOM 1533 N VAL A 101 -8.446 -0.350 0.530 1.00 0.00 N ATOM 1534 CA VAL A 101 -8.117 0.963 -0.012 1.00 0.00 C ATOM 1535 C VAL A 101 -9.357 1.846 -0.105 1.00 0.00 C ATOM 1536 O VAL A 101 -9.359 2.984 0.365 1.00 0.00 O ATOM 1537 CB VAL A 101 -7.476 0.849 -1.408 1.00 0.00 C ATOM 1538 CG1 VAL A 101 -7.169 2.229 -1.969 1.00 0.00 C ATOM 1539 CG2 VAL A 101 -6.219 -0.003 -1.348 1.00 0.00 C ATOM 0 H VAL A 101 -8.151 -1.133 -0.053 1.00 0.00 H new ATOM 0 HA VAL A 101 -7.401 1.418 0.673 1.00 0.00 H new ATOM 0 HB VAL A 101 -8.186 0.362 -2.076 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -6.717 2.128 -2.956 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -8.092 2.803 -2.050 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -6.478 2.747 -1.304 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -5.779 -0.073 -2.343 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -5.502 0.454 -0.666 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -6.473 -1.002 -0.993 1.00 0.00 H new ATOM 1549 N ASN A 102 -10.412 1.313 -0.713 1.00 0.00 N ATOM 1550 CA ASN A 102 -11.660 2.052 -0.868 1.00 0.00 C ATOM 1551 C ASN A 102 -12.245 2.423 0.492 1.00 0.00 C ATOM 1552 O ASN A 102 -12.499 3.595 0.771 1.00 0.00 O ATOM 1553 CB ASN A 102 -12.673 1.224 -1.662 1.00 0.00 C ATOM 1554 CG ASN A 102 -12.199 0.932 -3.072 1.00 0.00 C ATOM 1555 OD1 ASN A 102 -12.220 1.805 -3.940 1.00 0.00 O ATOM 1556 ND2 ASN A 102 -11.770 -0.303 -3.308 1.00 0.00 N ATOM 0 H ASN A 102 -10.428 0.372 -1.106 1.00 0.00 H new ATOM 0 HA ASN A 102 -11.444 2.970 -1.414 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -12.858 0.284 -1.142 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -13.622 1.758 -1.704 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -11.440 -0.559 -4.239 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -11.770 -0.995 -2.559 1.00 0.00 H new ATOM 1563 N TYR A 103 -12.453 1.417 1.334 1.00 0.00 N ATOM 1564 CA TYR A 103 -13.010 1.636 2.664 1.00 0.00 C ATOM 1565 C TYR A 103 -12.425 2.895 3.298 1.00 0.00 C ATOM 1566 O TYR A 103 -13.157 3.793 3.714 1.00 0.00 O ATOM 1567 CB TYR A 103 -12.738 0.426 3.560 1.00 0.00 C ATOM 1568 CG TYR A 103 -13.302 0.567 4.955 1.00 0.00 C ATOM 1569 CD1 TYR A 103 -12.611 1.262 5.939 1.00 0.00 C ATOM 1570 CD2 TYR A 103 -14.528 0.004 5.289 1.00 0.00 C ATOM 1571 CE1 TYR A 103 -13.123 1.392 7.215 1.00 0.00 C ATOM 1572 CE2 TYR A 103 -15.049 0.130 6.563 1.00 0.00 C ATOM 1573 CZ TYR A 103 -14.342 0.824 7.522 1.00 0.00 C ATOM 1574 OH TYR A 103 -14.856 0.953 8.792 1.00 0.00 O ATOM 0 H TYR A 103 -12.244 0.442 1.119 1.00 0.00 H new ATOM 0 HA TYR A 103 -14.087 1.769 2.562 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -13.162 -0.463 3.094 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -11.662 0.268 3.627 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -11.657 1.709 5.702 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -15.083 -0.541 4.540 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -12.572 1.935 7.968 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -16.004 -0.312 6.806 1.00 0.00 H new ATOM 0 HH TYR A 103 -15.722 0.497 8.842 1.00 0.00 H new ATOM 1584 N PHE A 104 -11.099 2.951 3.369 1.00 0.00 N ATOM 1585 CA PHE A 104 -10.413 4.099 3.953 1.00 0.00 C ATOM 1586 C PHE A 104 -10.837 5.393 3.264 1.00 0.00 C ATOM 1587 O PHE A 104 -11.433 6.273 3.886 1.00 0.00 O ATOM 1588 CB PHE A 104 -8.897 3.923 3.844 1.00 0.00 C ATOM 1589 CG PHE A 104 -8.319 3.032 4.906 1.00 0.00 C ATOM 1590 CD1 PHE A 104 -8.492 3.329 6.248 1.00 0.00 C ATOM 1591 CD2 PHE A 104 -7.602 1.898 4.562 1.00 0.00 C ATOM 1592 CE1 PHE A 104 -7.963 2.512 7.228 1.00 0.00 C ATOM 1593 CE2 PHE A 104 -7.070 1.076 5.537 1.00 0.00 C ATOM 1594 CZ PHE A 104 -7.249 1.384 6.871 1.00 0.00 C ATOM 0 H PHE A 104 -10.478 2.216 3.030 1.00 0.00 H new ATOM 0 HA PHE A 104 -10.690 4.160 5.005 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -8.657 3.510 2.864 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -8.420 4.902 3.903 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -9.048 4.211 6.532 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -7.457 1.654 3.520 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -8.107 2.754 8.271 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -6.515 0.193 5.256 1.00 0.00 H new ATOM 0 HZ PHE A 104 -6.832 0.744 7.634 1.00 0.00 H new ATOM 1604 N VAL A 105 -10.524 5.503 1.977 1.00 0.00 N ATOM 1605 CA VAL A 105 -10.873 6.688 1.204 1.00 0.00 C ATOM 1606 C VAL A 105 -12.215 7.258 1.647 1.00 0.00 C ATOM 1607 O VAL A 105 -12.303 8.411 2.071 1.00 0.00 O ATOM 1608 CB VAL A 105 -10.931 6.378 -0.303 1.00 0.00 C ATOM 1609 CG1 VAL A 105 -11.541 7.545 -1.066 1.00 0.00 C ATOM 1610 CG2 VAL A 105 -9.544 6.051 -0.834 1.00 0.00 C ATOM 0 H VAL A 105 -10.029 4.785 1.448 1.00 0.00 H new ATOM 0 HA VAL A 105 -10.091 7.426 1.386 1.00 0.00 H new ATOM 0 HB VAL A 105 -11.567 5.505 -0.452 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -11.574 7.307 -2.129 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -12.553 7.727 -0.704 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -10.934 8.437 -0.912 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.604 5.835 -1.901 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -8.883 6.903 -0.673 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -9.149 5.181 -0.309 1.00 0.00 H new ATOM 1620 N SER A 106 -13.261 6.443 1.547 1.00 0.00 N ATOM 1621 CA SER A 106 -14.600 6.868 1.934 1.00 0.00 C ATOM 1622 C SER A 106 -14.641 7.264 3.407 1.00 0.00 C ATOM 1623 O SER A 106 -15.032 8.379 3.752 1.00 0.00 O ATOM 1624 CB SER A 106 -15.609 5.749 1.668 1.00 0.00 C ATOM 1625 OG SER A 106 -16.855 6.027 2.285 1.00 0.00 O ATOM 0 H SER A 106 -13.206 5.485 1.201 1.00 0.00 H new ATOM 0 HA SER A 106 -14.865 7.739 1.334 1.00 0.00 H new ATOM 0 HB2 SER A 106 -15.750 5.630 0.594 1.00 0.00 H new ATOM 0 HB3 SER A 106 -15.216 4.804 2.044 1.00 0.00 H new ATOM 0 HG SER A 106 -17.482 5.298 2.099 1.00 0.00 H new ATOM 1631 N HIS A 107 -14.233 6.341 4.272 1.00 0.00 N ATOM 1632 CA HIS A 107 -14.220 6.593 5.710 1.00 0.00 C ATOM 1633 C HIS A 107 -13.700 7.996 6.011 1.00 0.00 C ATOM 1634 O HIS A 107 -14.411 8.824 6.582 1.00 0.00 O ATOM 1635 CB HIS A 107 -13.358 5.553 6.424 1.00 0.00 C ATOM 1636 CG HIS A 107 -12.869 5.999 7.767 1.00 0.00 C ATOM 1637 ND1 HIS A 107 -13.686 6.086 8.875 1.00 0.00 N ATOM 1638 CD2 HIS A 107 -11.638 6.385 8.178 1.00 0.00 C ATOM 1639 CE1 HIS A 107 -12.979 6.507 9.909 1.00 0.00 C ATOM 1640 NE2 HIS A 107 -11.733 6.695 9.513 1.00 0.00 N ATOM 0 H HIS A 107 -13.907 5.413 4.003 1.00 0.00 H new ATOM 0 HA HIS A 107 -15.244 6.518 6.076 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -13.934 4.636 6.543 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -12.500 5.312 5.796 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -10.747 6.439 7.570 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -13.356 6.670 10.908 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -10.966 7.018 10.103 1.00 0.00 H new ATOM 1649 N THR A 108 -12.455 8.256 5.624 1.00 0.00 N ATOM 1650 CA THR A 108 -11.840 9.556 5.854 1.00 0.00 C ATOM 1651 C THR A 108 -12.600 10.661 5.131 1.00 0.00 C ATOM 1652 O THR A 108 -13.038 10.487 3.993 1.00 0.00 O ATOM 1653 CB THR A 108 -10.371 9.573 5.390 1.00 0.00 C ATOM 1654 OG1 THR A 108 -9.776 10.841 5.691 1.00 0.00 O ATOM 1655 CG2 THR A 108 -10.271 9.302 3.897 1.00 0.00 C ATOM 0 H THR A 108 -11.853 7.583 5.150 1.00 0.00 H new ATOM 0 HA THR A 108 -11.877 9.736 6.928 1.00 0.00 H new ATOM 0 HB THR A 108 -9.837 8.786 5.922 1.00 0.00 H new ATOM 0 HG1 THR A 108 -8.842 10.843 5.394 1.00 0.00 H new ATOM 0 HG21 THR A 108 -9.224 9.319 3.593 1.00 0.00 H new ATOM 0 HG22 THR A 108 -10.697 8.323 3.675 1.00 0.00 H new ATOM 0 HG23 THR A 108 -10.820 10.069 3.350 1.00 0.00 H new ATOM 1663 N LYS A 109 -12.756 11.800 5.797 1.00 0.00 N ATOM 1664 CA LYS A 109 -13.463 12.936 5.218 1.00 0.00 C ATOM 1665 C LYS A 109 -12.715 13.482 4.007 1.00 0.00 C ATOM 1666 O LYS A 109 -13.257 13.538 2.903 1.00 0.00 O ATOM 1667 CB LYS A 109 -13.640 14.041 6.262 1.00 0.00 C ATOM 1668 CG LYS A 109 -14.494 15.201 5.783 1.00 0.00 C ATOM 1669 CD LYS A 109 -14.480 16.351 6.775 1.00 0.00 C ATOM 1670 CE LYS A 109 -13.203 17.169 6.662 1.00 0.00 C ATOM 1671 NZ LYS A 109 -13.097 18.184 7.747 1.00 0.00 N ATOM 0 H LYS A 109 -12.402 11.961 6.740 1.00 0.00 H new ATOM 0 HA LYS A 109 -14.445 12.592 4.893 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -14.092 13.614 7.157 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -12.658 14.418 6.549 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -14.128 15.548 4.817 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -15.519 14.862 5.633 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -15.342 16.994 6.600 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -14.575 15.960 7.788 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -12.341 16.504 6.702 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -13.176 17.668 5.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -12.213 18.721 7.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -13.907 18.835 7.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -13.097 17.706 8.671 1.00 0.00 H new ATOM 1685 N LYS A 110 -11.466 13.883 4.219 1.00 0.00 N ATOM 1686 CA LYS A 110 -10.642 14.422 3.144 1.00 0.00 C ATOM 1687 C LYS A 110 -10.404 13.373 2.062 1.00 0.00 C ATOM 1688 O LYS A 110 -10.439 12.173 2.331 1.00 0.00 O ATOM 1689 CB LYS A 110 -9.303 14.912 3.699 1.00 0.00 C ATOM 1690 CG LYS A 110 -8.536 15.805 2.737 1.00 0.00 C ATOM 1691 CD LYS A 110 -9.195 17.167 2.595 1.00 0.00 C ATOM 1692 CE LYS A 110 -8.778 17.856 1.306 1.00 0.00 C ATOM 1693 NZ LYS A 110 -9.712 18.955 0.936 1.00 0.00 N ATOM 0 H LYS A 110 -11.002 13.845 5.127 1.00 0.00 H new ATOM 0 HA LYS A 110 -11.173 15.263 2.698 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -9.481 15.458 4.625 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -8.686 14.049 3.951 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -7.513 15.930 3.092 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -8.478 15.324 1.760 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -10.279 17.052 2.613 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -8.927 17.793 3.446 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -7.771 18.258 1.419 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -8.741 17.124 0.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -9.392 19.399 0.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -10.668 18.568 0.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -9.729 19.667 1.694 1.00 0.00 H new ATOM 1707 N ALA A 111 -10.158 13.835 0.841 1.00 0.00 N ATOM 1708 CA ALA A 111 -9.910 12.936 -0.280 1.00 0.00 C ATOM 1709 C ALA A 111 -8.416 12.704 -0.476 1.00 0.00 C ATOM 1710 O ALA A 111 -7.732 13.502 -1.118 1.00 0.00 O ATOM 1711 CB ALA A 111 -10.532 13.494 -1.551 1.00 0.00 C ATOM 0 H ALA A 111 -10.125 14.826 0.602 1.00 0.00 H new ATOM 0 HA ALA A 111 -10.373 11.976 -0.054 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -10.339 12.813 -2.380 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -11.608 13.602 -1.413 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -10.095 14.468 -1.773 1.00 0.00 H new ATOM 1717 N LEU A 112 -7.915 11.607 0.080 1.00 0.00 N ATOM 1718 CA LEU A 112 -6.499 11.269 -0.034 1.00 0.00 C ATOM 1719 C LEU A 112 -6.169 10.779 -1.439 1.00 0.00 C ATOM 1720 O LEU A 112 -7.063 10.465 -2.225 1.00 0.00 O ATOM 1721 CB LEU A 112 -6.126 10.200 0.993 1.00 0.00 C ATOM 1722 CG LEU A 112 -5.656 10.713 2.356 1.00 0.00 C ATOM 1723 CD1 LEU A 112 -6.844 11.123 3.211 1.00 0.00 C ATOM 1724 CD2 LEU A 112 -4.826 9.653 3.066 1.00 0.00 C ATOM 0 H LEU A 112 -8.467 10.936 0.614 1.00 0.00 H new ATOM 0 HA LEU A 112 -5.918 12.170 0.162 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.992 9.556 1.148 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -5.338 9.578 0.570 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.030 11.591 2.197 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -6.490 11.485 4.176 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -7.398 11.915 2.708 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -7.497 10.263 3.363 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -4.500 10.034 4.034 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -5.429 8.757 3.213 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -3.954 9.408 2.460 1.00 0.00 H new ATOM 1736 N VAL A 113 -4.877 10.712 -1.749 1.00 0.00 N ATOM 1737 CA VAL A 113 -4.427 10.256 -3.059 1.00 0.00 C ATOM 1738 C VAL A 113 -3.555 9.011 -2.937 1.00 0.00 C ATOM 1739 O VAL A 113 -2.617 8.956 -2.141 1.00 0.00 O ATOM 1740 CB VAL A 113 -3.637 11.353 -3.795 1.00 0.00 C ATOM 1741 CG1 VAL A 113 -3.038 10.809 -5.082 1.00 0.00 C ATOM 1742 CG2 VAL A 113 -4.529 12.553 -4.077 1.00 0.00 C ATOM 0 H VAL A 113 -4.124 10.968 -1.110 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.321 10.015 -3.635 1.00 0.00 H new ATOM 0 HB VAL A 113 -2.819 11.680 -3.153 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -2.484 11.599 -5.588 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -2.364 9.985 -4.850 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -3.836 10.452 -5.733 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -3.954 13.319 -4.598 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.369 12.244 -4.699 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -4.903 12.957 -3.136 1.00 0.00 H new ATOM 1752 N PRO A 114 -3.868 7.987 -3.744 1.00 0.00 N ATOM 1753 CA PRO A 114 -3.123 6.725 -3.747 1.00 0.00 C ATOM 1754 C PRO A 114 -1.721 6.880 -4.326 1.00 0.00 C ATOM 1755 O PRO A 114 -1.521 7.589 -5.312 1.00 0.00 O ATOM 1756 CB PRO A 114 -3.972 5.815 -4.638 1.00 0.00 C ATOM 1757 CG PRO A 114 -4.716 6.746 -5.532 1.00 0.00 C ATOM 1758 CD PRO A 114 -4.973 7.984 -4.718 1.00 0.00 C ATOM 0 HA PRO A 114 -2.972 6.338 -2.739 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -3.348 5.129 -5.212 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -4.654 5.206 -4.045 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -4.134 6.979 -6.424 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -5.651 6.299 -5.869 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -4.965 8.881 -5.337 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -5.944 7.946 -4.224 1.00 0.00 H new ATOM 1766 N PHE A 115 -0.754 6.211 -3.707 1.00 0.00 N ATOM 1767 CA PHE A 115 0.631 6.275 -4.160 1.00 0.00 C ATOM 1768 C PHE A 115 0.902 5.222 -5.229 1.00 0.00 C ATOM 1769 O PHE A 115 0.655 4.033 -5.023 1.00 0.00 O ATOM 1770 CB PHE A 115 1.585 6.079 -2.980 1.00 0.00 C ATOM 1771 CG PHE A 115 3.035 6.137 -3.367 1.00 0.00 C ATOM 1772 CD1 PHE A 115 3.626 5.085 -4.052 1.00 0.00 C ATOM 1773 CD2 PHE A 115 3.809 7.241 -3.048 1.00 0.00 C ATOM 1774 CE1 PHE A 115 4.960 5.136 -4.408 1.00 0.00 C ATOM 1775 CE2 PHE A 115 5.143 7.297 -3.401 1.00 0.00 C ATOM 1776 CZ PHE A 115 5.720 6.244 -4.084 1.00 0.00 C ATOM 0 H PHE A 115 -0.904 5.618 -2.890 1.00 0.00 H new ATOM 0 HA PHE A 115 0.800 7.260 -4.595 1.00 0.00 H new ATOM 0 HB2 PHE A 115 1.386 6.845 -2.231 1.00 0.00 H new ATOM 0 HB3 PHE A 115 1.380 5.116 -2.513 1.00 0.00 H new ATOM 0 HD1 PHE A 115 3.037 4.217 -4.310 1.00 0.00 H new ATOM 0 HD2 PHE A 115 3.363 8.069 -2.516 1.00 0.00 H new ATOM 0 HE1 PHE A 115 5.409 4.310 -4.940 1.00 0.00 H new ATOM 0 HE2 PHE A 115 5.734 8.163 -3.143 1.00 0.00 H new ATOM 0 HZ PHE A 115 6.762 6.286 -4.364 1.00 0.00 H new ATOM 1786 N LEU A 116 1.411 5.665 -6.374 1.00 0.00 N ATOM 1787 CA LEU A 116 1.716 4.762 -7.477 1.00 0.00 C ATOM 1788 C LEU A 116 3.085 5.073 -8.073 1.00 0.00 C ATOM 1789 O LEU A 116 3.401 6.228 -8.362 1.00 0.00 O ATOM 1790 CB LEU A 116 0.641 4.867 -8.560 1.00 0.00 C ATOM 1791 CG LEU A 116 0.816 3.949 -9.771 1.00 0.00 C ATOM 1792 CD1 LEU A 116 0.705 2.491 -9.357 1.00 0.00 C ATOM 1793 CD2 LEU A 116 -0.211 4.281 -10.844 1.00 0.00 C ATOM 0 H LEU A 116 1.621 6.645 -6.562 1.00 0.00 H new ATOM 0 HA LEU A 116 1.732 3.744 -7.087 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -0.327 4.655 -8.105 1.00 0.00 H new ATOM 0 HB3 LEU A 116 0.608 5.898 -8.912 1.00 0.00 H new ATOM 0 HG LEU A 116 1.811 4.112 -10.185 1.00 0.00 H new ATOM 0 HD11 LEU A 116 0.832 1.854 -10.232 1.00 0.00 H new ATOM 0 HD12 LEU A 116 1.479 2.261 -8.625 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.276 2.311 -8.917 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -0.072 3.618 -11.698 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -1.215 4.147 -10.441 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -0.083 5.315 -11.163 1.00 0.00 H new ATOM 1805 N LEU A 117 3.895 4.035 -8.256 1.00 0.00 N ATOM 1806 CA LEU A 117 5.230 4.197 -8.820 1.00 0.00 C ATOM 1807 C LEU A 117 5.470 3.195 -9.946 1.00 0.00 C ATOM 1808 O LEU A 117 5.589 1.994 -9.706 1.00 0.00 O ATOM 1809 CB LEU A 117 6.289 4.021 -7.731 1.00 0.00 C ATOM 1810 CG LEU A 117 7.703 4.483 -8.088 1.00 0.00 C ATOM 1811 CD1 LEU A 117 7.654 5.624 -9.093 1.00 0.00 C ATOM 1812 CD2 LEU A 117 8.459 4.903 -6.837 1.00 0.00 C ATOM 0 H LEU A 117 3.650 3.073 -8.022 1.00 0.00 H new ATOM 0 HA LEU A 117 5.305 5.203 -9.232 1.00 0.00 H new ATOM 0 HB2 LEU A 117 5.964 4.565 -6.844 1.00 0.00 H new ATOM 0 HB3 LEU A 117 6.331 2.966 -7.460 1.00 0.00 H new ATOM 0 HG LEU A 117 8.233 3.647 -8.544 1.00 0.00 H new ATOM 0 HD11 LEU A 117 8.669 5.939 -9.335 1.00 0.00 H new ATOM 0 HD12 LEU A 117 7.152 5.288 -10.001 1.00 0.00 H new ATOM 0 HD13 LEU A 117 7.106 6.463 -8.665 1.00 0.00 H new ATOM 0 HD21 LEU A 117 9.463 5.228 -7.110 1.00 0.00 H new ATOM 0 HD22 LEU A 117 7.931 5.724 -6.351 1.00 0.00 H new ATOM 0 HD23 LEU A 117 8.526 4.058 -6.151 1.00 0.00 H new ATOM 1824 N ASP A 118 5.544 3.699 -11.173 1.00 0.00 N ATOM 1825 CA ASP A 118 5.774 2.850 -12.335 1.00 0.00 C ATOM 1826 C ASP A 118 7.071 2.062 -12.185 1.00 0.00 C ATOM 1827 O ASP A 118 8.143 2.534 -12.566 1.00 0.00 O ATOM 1828 CB ASP A 118 5.820 3.695 -13.610 1.00 0.00 C ATOM 1829 CG ASP A 118 6.600 3.022 -14.722 1.00 0.00 C ATOM 1830 OD1 ASP A 118 6.082 2.045 -15.303 1.00 0.00 O ATOM 1831 OD2 ASP A 118 7.727 3.472 -15.012 1.00 0.00 O ATOM 0 H ASP A 118 5.448 4.691 -11.388 1.00 0.00 H new ATOM 0 HA ASP A 118 4.947 2.143 -12.406 1.00 0.00 H new ATOM 0 HB2 ASP A 118 4.803 3.890 -13.950 1.00 0.00 H new ATOM 0 HB3 ASP A 118 6.272 4.661 -13.386 1.00 0.00 H new