USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 596 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 49 GLN : amide:sc= -0.224 K(o=-0.71,f=-1.6) USER MOD Set 1.2: A 58 MET CE :methyl -115:sc= -0.822 (180deg=-2.42) USER MOD Set 1.3: A 61 CYS SG : rot 174:sc= 0.333 USER MOD Set 2.1: A 44 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 64 LYS NZ :NH3+ 136:sc= -0.0562 (180deg=-1.06) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -1.55 K(o=-1.6,f=-2.2) USER MOD Single : A 30 MET CE :methyl -166:sc= -2.49! (180deg=-3.68!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.0639 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 39 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.424) USER MOD Single : A 45 HIS : no HD1:sc= -2.43! C(o=-2.4!,f=-5.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.0872 X(o=-0.087,f=-0.092) USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -2.14! C(o=-2.1!,f=-4.4!) USER MOD Single : A 80 THR OG1 : rot 73:sc= -0.125 USER MOD Single : A 81 LYS NZ :NH3+ -165:sc=-0.00417 (180deg=-0.133) USER MOD Single : A 82 LYS NZ :NH3+ -136:sc=-0.00743 (180deg=-1.83!) USER MOD Single : A 83 LYS NZ :NH3+ -119:sc= -0.434 (180deg=-1.49) USER MOD Single : A 84 TYR OH : rot 165:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.0436 X(o=-0.044,f=0) USER MOD ----------------------------------------------------------------- ATOM 199 N LYS A 16 5.617 5.250 3.424 1.00 0.00 N ATOM 200 CA LYS A 16 4.722 4.455 4.257 1.00 0.00 C ATOM 201 C LYS A 16 5.505 3.431 5.073 1.00 0.00 C ATOM 202 O LYS A 16 6.367 2.730 4.543 1.00 0.00 O ATOM 203 CB LYS A 16 3.682 3.744 3.389 1.00 0.00 C ATOM 204 CG LYS A 16 2.696 2.906 4.185 1.00 0.00 C ATOM 205 CD LYS A 16 1.386 2.724 3.436 1.00 0.00 C ATOM 206 CE LYS A 16 0.418 3.862 3.722 1.00 0.00 C ATOM 207 NZ LYS A 16 -0.996 3.457 3.494 1.00 0.00 N ATOM 0 HA LYS A 16 4.212 5.129 4.945 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.132 4.488 2.813 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.196 3.103 2.673 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.134 1.930 4.396 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.504 3.384 5.146 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.582 2.672 2.365 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.930 1.776 3.723 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.540 4.192 4.754 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.659 4.713 3.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.624 4.260 3.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.118 3.166 2.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.234 2.661 4.120 1.00 0.00 H new ATOM 221 N ASP A 17 5.198 3.350 6.363 1.00 0.00 N ATOM 222 CA ASP A 17 5.871 2.410 7.251 1.00 0.00 C ATOM 223 C ASP A 17 5.491 0.972 6.910 1.00 0.00 C ATOM 224 O ASP A 17 4.408 0.505 7.263 1.00 0.00 O ATOM 225 CB ASP A 17 5.519 2.711 8.709 1.00 0.00 C ATOM 226 CG ASP A 17 6.314 3.874 9.268 1.00 0.00 C ATOM 227 OD1 ASP A 17 7.536 3.931 9.020 1.00 0.00 O ATOM 228 OD2 ASP A 17 5.714 4.728 9.955 1.00 0.00 O ATOM 0 H ASP A 17 4.487 3.924 6.817 1.00 0.00 H new ATOM 0 HA ASP A 17 6.946 2.525 7.113 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.454 2.933 8.784 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.704 1.824 9.315 1.00 0.00 H new ATOM 233 N TRP A 18 6.388 0.277 6.220 1.00 0.00 N ATOM 234 CA TRP A 18 6.146 -1.107 5.829 1.00 0.00 C ATOM 235 C TRP A 18 6.237 -2.037 7.034 1.00 0.00 C ATOM 236 O TRP A 18 5.401 -2.923 7.211 1.00 0.00 O ATOM 237 CB TRP A 18 7.150 -1.540 4.759 1.00 0.00 C ATOM 238 CG TRP A 18 7.115 -0.682 3.530 1.00 0.00 C ATOM 239 CD1 TRP A 18 8.174 -0.058 2.936 1.00 0.00 C ATOM 240 CD2 TRP A 18 5.962 -0.354 2.747 1.00 0.00 C ATOM 241 NE1 TRP A 18 7.749 0.639 1.831 1.00 0.00 N ATOM 242 CE2 TRP A 18 6.397 0.473 1.693 1.00 0.00 C ATOM 243 CE3 TRP A 18 4.606 -0.680 2.833 1.00 0.00 C ATOM 244 CZ2 TRP A 18 5.522 0.978 0.734 1.00 0.00 C ATOM 245 CZ3 TRP A 18 3.739 -0.178 1.881 1.00 0.00 C ATOM 246 CH2 TRP A 18 4.200 0.643 0.842 1.00 0.00 C ATOM 0 H TRP A 18 7.289 0.649 5.920 1.00 0.00 H new ATOM 0 HA TRP A 18 5.138 -1.171 5.419 1.00 0.00 H new ATOM 0 HB2 TRP A 18 8.154 -1.516 5.182 1.00 0.00 H new ATOM 0 HB3 TRP A 18 6.948 -2.573 4.478 1.00 0.00 H new ATOM 0 HD1 TRP A 18 9.195 -0.105 3.284 1.00 0.00 H new ATOM 0 HE1 TRP A 18 8.344 1.191 1.213 1.00 0.00 H new ATOM 0 HE3 TRP A 18 4.242 -1.313 3.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 5.875 1.612 -0.066 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.689 -0.422 1.938 1.00 0.00 H new ATOM 0 HH2 TRP A 18 3.498 1.018 0.113 1.00 0.00 H new ATOM 257 N TYR A 19 7.256 -1.828 7.861 1.00 0.00 N ATOM 258 CA TYR A 19 7.456 -2.650 9.049 1.00 0.00 C ATOM 259 C TYR A 19 6.225 -2.615 9.950 1.00 0.00 C ATOM 260 O TYR A 19 6.092 -3.422 10.869 1.00 0.00 O ATOM 261 CB TYR A 19 8.684 -2.170 9.825 1.00 0.00 C ATOM 262 CG TYR A 19 9.996 -2.557 9.181 1.00 0.00 C ATOM 263 CD1 TYR A 19 10.286 -3.884 8.891 1.00 0.00 C ATOM 264 CD2 TYR A 19 10.946 -1.595 8.863 1.00 0.00 C ATOM 265 CE1 TYR A 19 11.484 -4.242 8.304 1.00 0.00 C ATOM 266 CE2 TYR A 19 12.147 -1.943 8.274 1.00 0.00 C ATOM 267 CZ TYR A 19 12.411 -3.268 7.997 1.00 0.00 C ATOM 268 OH TYR A 19 13.605 -3.620 7.411 1.00 0.00 O ATOM 0 H TYR A 19 7.956 -1.097 7.731 1.00 0.00 H new ATOM 0 HA TYR A 19 7.617 -3.678 8.726 1.00 0.00 H new ATOM 0 HB2 TYR A 19 8.642 -1.085 9.921 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.649 -2.580 10.834 1.00 0.00 H new ATOM 0 HD1 TYR A 19 9.562 -4.649 9.129 1.00 0.00 H new ATOM 0 HD2 TYR A 19 10.743 -0.557 9.080 1.00 0.00 H new ATOM 0 HE1 TYR A 19 11.694 -5.279 8.087 1.00 0.00 H new ATOM 0 HE2 TYR A 19 12.874 -1.182 8.032 1.00 0.00 H new ATOM 0 HH TYR A 19 14.144 -2.816 7.259 1.00 0.00 H new ATOM 278 N SER A 20 5.328 -1.673 9.678 1.00 0.00 N ATOM 279 CA SER A 20 4.109 -1.528 10.465 1.00 0.00 C ATOM 280 C SER A 20 2.945 -2.261 9.803 1.00 0.00 C ATOM 281 O SER A 20 2.054 -2.773 10.481 1.00 0.00 O ATOM 282 CB SER A 20 3.761 -0.049 10.639 1.00 0.00 C ATOM 283 OG SER A 20 2.859 0.140 11.716 1.00 0.00 O ATOM 0 H SER A 20 5.422 -0.999 8.919 1.00 0.00 H new ATOM 0 HA SER A 20 4.285 -1.970 11.446 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.671 0.523 10.818 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.319 0.334 9.719 1.00 0.00 H new ATOM 0 HG SER A 20 2.654 1.094 11.807 1.00 0.00 H new ATOM 289 N ILE A 21 2.962 -2.307 8.475 1.00 0.00 N ATOM 290 CA ILE A 21 1.909 -2.977 7.722 1.00 0.00 C ATOM 291 C ILE A 21 1.960 -4.487 7.931 1.00 0.00 C ATOM 292 O ILE A 21 0.925 -5.152 7.991 1.00 0.00 O ATOM 293 CB ILE A 21 2.016 -2.675 6.215 1.00 0.00 C ATOM 294 CG1 ILE A 21 1.754 -1.191 5.951 1.00 0.00 C ATOM 295 CG2 ILE A 21 1.039 -3.539 5.432 1.00 0.00 C ATOM 296 CD1 ILE A 21 1.931 -0.795 4.502 1.00 0.00 C ATOM 0 H ILE A 21 3.693 -1.889 7.899 1.00 0.00 H new ATOM 0 HA ILE A 21 0.960 -2.592 8.095 1.00 0.00 H new ATOM 0 HB ILE A 21 3.027 -2.911 5.882 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.739 -0.948 6.264 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.428 -0.596 6.567 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.126 -3.315 4.369 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.268 -4.591 5.601 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.022 -3.331 5.765 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.729 0.270 4.389 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.954 -1.006 4.189 1.00 0.00 H new ATOM 0 HD13 ILE A 21 1.238 -1.364 3.882 1.00 0.00 H new ATOM 308 N LEU A 22 3.171 -5.023 8.042 1.00 0.00 N ATOM 309 CA LEU A 22 3.358 -6.455 8.247 1.00 0.00 C ATOM 310 C LEU A 22 3.521 -6.776 9.729 1.00 0.00 C ATOM 311 O LEU A 22 3.843 -7.905 10.098 1.00 0.00 O ATOM 312 CB LEU A 22 4.580 -6.946 7.469 1.00 0.00 C ATOM 313 CG LEU A 22 4.644 -6.543 5.996 1.00 0.00 C ATOM 314 CD1 LEU A 22 6.054 -6.721 5.454 1.00 0.00 C ATOM 315 CD2 LEU A 22 3.650 -7.354 5.177 1.00 0.00 C ATOM 0 H LEU A 22 4.038 -4.487 7.993 1.00 0.00 H new ATOM 0 HA LEU A 22 2.470 -6.969 7.879 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.476 -6.574 7.966 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.611 -8.034 7.529 1.00 0.00 H new ATOM 0 HG LEU A 22 4.376 -5.489 5.916 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.080 -6.429 4.404 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.744 -6.096 6.021 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.351 -7.766 5.547 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.710 -7.054 4.131 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.886 -8.414 5.264 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.641 -7.176 5.549 1.00 0.00 H new ATOM 327 N GLY A 23 3.295 -5.776 10.575 1.00 0.00 N ATOM 328 CA GLY A 23 3.420 -5.973 12.008 1.00 0.00 C ATOM 329 C GLY A 23 4.762 -6.559 12.397 1.00 0.00 C ATOM 330 O GLY A 23 4.843 -7.405 13.287 1.00 0.00 O ATOM 0 H GLY A 23 3.028 -4.833 10.294 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.283 -5.019 12.516 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.625 -6.635 12.352 1.00 0.00 H new ATOM 334 N ALA A 24 5.819 -6.110 11.728 1.00 0.00 N ATOM 335 CA ALA A 24 7.164 -6.595 12.010 1.00 0.00 C ATOM 336 C ALA A 24 8.062 -5.467 12.507 1.00 0.00 C ATOM 337 O ALA A 24 7.644 -4.311 12.573 1.00 0.00 O ATOM 338 CB ALA A 24 7.763 -7.241 10.768 1.00 0.00 C ATOM 0 H ALA A 24 5.769 -5.411 10.987 1.00 0.00 H new ATOM 0 HA ALA A 24 7.096 -7.344 12.799 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.768 -7.599 10.993 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.140 -8.080 10.458 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.811 -6.507 9.963 1.00 0.00 H new ATOM 344 N ASP A 25 9.297 -5.811 12.856 1.00 0.00 N ATOM 345 CA ASP A 25 10.254 -4.827 13.348 1.00 0.00 C ATOM 346 C ASP A 25 11.344 -4.565 12.313 1.00 0.00 C ATOM 347 O ASP A 25 11.642 -5.404 11.463 1.00 0.00 O ATOM 348 CB ASP A 25 10.882 -5.305 14.658 1.00 0.00 C ATOM 349 CG ASP A 25 9.916 -5.230 15.824 1.00 0.00 C ATOM 350 OD1 ASP A 25 8.964 -6.037 15.858 1.00 0.00 O ATOM 351 OD2 ASP A 25 10.111 -4.363 16.702 1.00 0.00 O ATOM 0 H ASP A 25 9.659 -6.763 12.807 1.00 0.00 H new ATOM 0 HA ASP A 25 9.719 -3.895 13.530 1.00 0.00 H new ATOM 0 HB2 ASP A 25 11.225 -6.333 14.539 1.00 0.00 H new ATOM 0 HB3 ASP A 25 11.761 -4.699 14.879 1.00 0.00 H new ATOM 356 N PRO A 26 11.954 -3.372 12.384 1.00 0.00 N ATOM 357 CA PRO A 26 13.019 -2.972 11.461 1.00 0.00 C ATOM 358 C PRO A 26 14.308 -3.754 11.689 1.00 0.00 C ATOM 359 O PRO A 26 15.251 -3.658 10.904 1.00 0.00 O ATOM 360 CB PRO A 26 13.229 -1.490 11.782 1.00 0.00 C ATOM 361 CG PRO A 26 12.774 -1.340 13.193 1.00 0.00 C ATOM 362 CD PRO A 26 11.650 -2.323 13.372 1.00 0.00 C ATOM 0 HA PRO A 26 12.751 -3.163 10.422 1.00 0.00 H new ATOM 0 HB2 PRO A 26 14.275 -1.205 11.671 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.653 -0.854 11.110 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.587 -1.546 13.889 1.00 0.00 H new ATOM 0 HG3 PRO A 26 12.437 -0.322 13.388 1.00 0.00 H new ATOM 0 HD2 PRO A 26 11.623 -2.722 14.386 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.680 -1.863 13.184 1.00 0.00 H new ATOM 370 N SER A 27 14.342 -4.529 12.769 1.00 0.00 N ATOM 371 CA SER A 27 15.517 -5.325 13.102 1.00 0.00 C ATOM 372 C SER A 27 15.238 -6.812 12.906 1.00 0.00 C ATOM 373 O SER A 27 15.955 -7.663 13.432 1.00 0.00 O ATOM 374 CB SER A 27 15.945 -5.061 14.547 1.00 0.00 C ATOM 375 OG SER A 27 17.344 -5.226 14.703 1.00 0.00 O ATOM 0 H SER A 27 13.569 -4.622 13.428 1.00 0.00 H new ATOM 0 HA SER A 27 16.326 -5.033 12.432 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.661 -4.049 14.835 1.00 0.00 H new ATOM 0 HB3 SER A 27 15.419 -5.742 15.216 1.00 0.00 H new ATOM 0 HG SER A 27 17.592 -5.050 15.635 1.00 0.00 H new ATOM 381 N ALA A 28 14.192 -7.117 12.146 1.00 0.00 N ATOM 382 CA ALA A 28 13.819 -8.500 11.879 1.00 0.00 C ATOM 383 C ALA A 28 14.623 -9.070 10.715 1.00 0.00 C ATOM 384 O ALA A 28 15.371 -8.351 10.054 1.00 0.00 O ATOM 385 CB ALA A 28 12.328 -8.599 11.591 1.00 0.00 C ATOM 0 H ALA A 28 13.588 -6.424 11.704 1.00 0.00 H new ATOM 0 HA ALA A 28 14.046 -9.089 12.767 1.00 0.00 H new ATOM 0 HB1 ALA A 28 12.064 -9.638 11.393 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.766 -8.239 12.453 1.00 0.00 H new ATOM 0 HB3 ALA A 28 12.085 -7.991 10.720 1.00 0.00 H new ATOM 391 N ASN A 29 14.464 -10.367 10.471 1.00 0.00 N ATOM 392 CA ASN A 29 15.177 -11.034 9.388 1.00 0.00 C ATOM 393 C ASN A 29 14.215 -11.450 8.279 1.00 0.00 C ATOM 394 O ASN A 29 12.997 -11.425 8.457 1.00 0.00 O ATOM 395 CB ASN A 29 15.922 -12.261 9.919 1.00 0.00 C ATOM 396 CG ASN A 29 16.662 -13.005 8.825 1.00 0.00 C ATOM 397 OD1 ASN A 29 16.160 -13.987 8.277 1.00 0.00 O ATOM 398 ND2 ASN A 29 17.864 -12.540 8.502 1.00 0.00 N ATOM 0 H ASN A 29 13.848 -10.977 11.009 1.00 0.00 H new ATOM 0 HA ASN A 29 15.899 -10.330 8.974 1.00 0.00 H new ATOM 0 HB2 ASN A 29 16.631 -11.949 10.686 1.00 0.00 H new ATOM 0 HB3 ASN A 29 15.212 -12.935 10.397 1.00 0.00 H new ATOM 0 HD21 ASN A 29 18.410 -13.000 7.773 1.00 0.00 H new ATOM 0 HD22 ASN A 29 18.241 -11.723 8.983 1.00 0.00 H new ATOM 405 N MET A 30 14.771 -11.833 7.134 1.00 0.00 N ATOM 406 CA MET A 30 13.962 -12.256 5.996 1.00 0.00 C ATOM 407 C MET A 30 12.872 -13.229 6.436 1.00 0.00 C ATOM 408 O MET A 30 11.683 -12.921 6.356 1.00 0.00 O ATOM 409 CB MET A 30 14.845 -12.908 4.931 1.00 0.00 C ATOM 410 CG MET A 30 14.288 -12.784 3.522 1.00 0.00 C ATOM 411 SD MET A 30 14.854 -11.294 2.680 1.00 0.00 S ATOM 412 CE MET A 30 14.052 -10.027 3.659 1.00 0.00 C ATOM 0 H MET A 30 15.777 -11.859 6.970 1.00 0.00 H new ATOM 0 HA MET A 30 13.485 -11.372 5.571 1.00 0.00 H new ATOM 0 HB2 MET A 30 15.835 -12.453 4.963 1.00 0.00 H new ATOM 0 HB3 MET A 30 14.971 -13.964 5.172 1.00 0.00 H new ATOM 0 HG2 MET A 30 14.581 -13.658 2.941 1.00 0.00 H new ATOM 0 HG3 MET A 30 13.199 -12.781 3.565 1.00 0.00 H new ATOM 0 HE1 MET A 30 14.096 -9.076 3.129 1.00 0.00 H new ATOM 0 HE2 MET A 30 13.011 -10.302 3.827 1.00 0.00 H new ATOM 0 HE3 MET A 30 14.561 -9.932 4.618 1.00 0.00 H new ATOM 422 N SER A 31 13.286 -14.404 6.900 1.00 0.00 N ATOM 423 CA SER A 31 12.344 -15.423 7.348 1.00 0.00 C ATOM 424 C SER A 31 11.214 -14.799 8.161 1.00 0.00 C ATOM 425 O SER A 31 10.046 -14.872 7.779 1.00 0.00 O ATOM 426 CB SER A 31 13.066 -16.481 8.185 1.00 0.00 C ATOM 427 OG SER A 31 12.191 -17.541 8.531 1.00 0.00 O ATOM 0 H SER A 31 14.267 -14.674 6.975 1.00 0.00 H new ATOM 0 HA SER A 31 11.914 -15.898 6.466 1.00 0.00 H new ATOM 0 HB2 SER A 31 13.915 -16.874 7.626 1.00 0.00 H new ATOM 0 HB3 SER A 31 13.464 -16.023 9.091 1.00 0.00 H new ATOM 0 HG SER A 31 12.676 -18.205 9.064 1.00 0.00 H new ATOM 433 N ASP A 32 11.571 -14.185 9.283 1.00 0.00 N ATOM 434 CA ASP A 32 10.589 -13.546 10.151 1.00 0.00 C ATOM 435 C ASP A 32 9.610 -12.705 9.338 1.00 0.00 C ATOM 436 O ASP A 32 8.428 -13.036 9.232 1.00 0.00 O ATOM 437 CB ASP A 32 11.288 -12.672 11.193 1.00 0.00 C ATOM 438 CG ASP A 32 11.628 -13.437 12.457 1.00 0.00 C ATOM 439 OD1 ASP A 32 10.709 -14.037 13.052 1.00 0.00 O ATOM 440 OD2 ASP A 32 12.814 -13.435 12.851 1.00 0.00 O ATOM 0 H ASP A 32 12.534 -14.116 9.613 1.00 0.00 H new ATOM 0 HA ASP A 32 10.030 -14.329 10.662 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.202 -12.261 10.764 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.646 -11.828 11.444 1.00 0.00 H new ATOM 445 N LEU A 33 10.109 -11.616 8.765 1.00 0.00 N ATOM 446 CA LEU A 33 9.279 -10.726 7.960 1.00 0.00 C ATOM 447 C LEU A 33 8.318 -11.522 7.084 1.00 0.00 C ATOM 448 O LEU A 33 7.125 -11.223 7.021 1.00 0.00 O ATOM 449 CB LEU A 33 10.156 -9.826 7.089 1.00 0.00 C ATOM 450 CG LEU A 33 10.938 -8.736 7.823 1.00 0.00 C ATOM 451 CD1 LEU A 33 12.014 -8.152 6.921 1.00 0.00 C ATOM 452 CD2 LEU A 33 9.999 -7.644 8.312 1.00 0.00 C ATOM 0 H LEU A 33 11.084 -11.327 8.843 1.00 0.00 H new ATOM 0 HA LEU A 33 8.693 -10.105 8.638 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.866 -10.455 6.551 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.522 -9.349 6.341 1.00 0.00 H new ATOM 0 HG LEU A 33 11.424 -9.185 8.690 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.560 -7.378 7.460 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.704 -8.940 6.620 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.550 -7.718 6.035 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.573 -6.877 8.832 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.485 -7.198 7.461 1.00 0.00 H new ATOM 0 HD23 LEU A 33 9.266 -8.074 8.994 1.00 0.00 H new ATOM 464 N LYS A 34 8.844 -12.538 6.409 1.00 0.00 N ATOM 465 CA LYS A 34 8.034 -13.381 5.538 1.00 0.00 C ATOM 466 C LYS A 34 6.897 -14.034 6.317 1.00 0.00 C ATOM 467 O LYS A 34 5.742 -13.996 5.894 1.00 0.00 O ATOM 468 CB LYS A 34 8.903 -14.457 4.883 1.00 0.00 C ATOM 469 CG LYS A 34 8.256 -15.107 3.672 1.00 0.00 C ATOM 470 CD LYS A 34 8.938 -16.416 3.311 1.00 0.00 C ATOM 471 CE LYS A 34 8.763 -16.748 1.837 1.00 0.00 C ATOM 472 NZ LYS A 34 9.115 -18.164 1.541 1.00 0.00 N ATOM 0 H LYS A 34 9.830 -12.798 6.449 1.00 0.00 H new ATOM 0 HA LYS A 34 7.602 -12.750 4.761 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.852 -14.013 4.583 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.130 -15.227 5.620 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.201 -15.290 3.876 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.303 -14.425 2.823 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.000 -16.351 3.547 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.525 -17.222 3.918 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.730 -16.562 1.543 1.00 0.00 H new ATOM 0 HE3 LYS A 34 9.389 -16.086 1.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 8.982 -18.350 0.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.108 -18.336 1.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.501 -18.797 2.092 1.00 0.00 H new ATOM 486 N GLN A 35 7.233 -14.631 7.456 1.00 0.00 N ATOM 487 CA GLN A 35 6.239 -15.292 8.293 1.00 0.00 C ATOM 488 C GLN A 35 5.067 -14.361 8.584 1.00 0.00 C ATOM 489 O GLN A 35 3.913 -14.789 8.616 1.00 0.00 O ATOM 490 CB GLN A 35 6.874 -15.756 9.605 1.00 0.00 C ATOM 491 CG GLN A 35 7.904 -16.860 9.426 1.00 0.00 C ATOM 492 CD GLN A 35 8.408 -17.408 10.746 1.00 0.00 C ATOM 493 OE1 GLN A 35 8.263 -16.773 11.791 1.00 0.00 O ATOM 494 NE2 GLN A 35 9.006 -18.593 10.706 1.00 0.00 N ATOM 0 H GLN A 35 8.185 -14.670 7.820 1.00 0.00 H new ATOM 0 HA GLN A 35 5.864 -16.160 7.751 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.348 -14.903 10.091 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.089 -16.108 10.274 1.00 0.00 H new ATOM 0 HG2 GLN A 35 7.465 -17.671 8.845 1.00 0.00 H new ATOM 0 HG3 GLN A 35 8.747 -16.476 8.851 1.00 0.00 H new ATOM 0 HE21 GLN A 35 9.105 -19.085 9.818 1.00 0.00 H new ATOM 0 HE22 GLN A 35 9.367 -19.011 11.563 1.00 0.00 H new ATOM 503 N LYS A 36 5.369 -13.085 8.796 1.00 0.00 N ATOM 504 CA LYS A 36 4.341 -12.091 9.083 1.00 0.00 C ATOM 505 C LYS A 36 3.579 -11.715 7.817 1.00 0.00 C ATOM 506 O LYS A 36 2.379 -11.445 7.860 1.00 0.00 O ATOM 507 CB LYS A 36 4.970 -10.841 9.704 1.00 0.00 C ATOM 508 CG LYS A 36 5.155 -10.937 11.208 1.00 0.00 C ATOM 509 CD LYS A 36 6.509 -11.524 11.567 1.00 0.00 C ATOM 510 CE LYS A 36 6.905 -11.181 12.995 1.00 0.00 C ATOM 511 NZ LYS A 36 6.174 -12.015 13.989 1.00 0.00 N ATOM 0 H LYS A 36 6.319 -12.714 8.774 1.00 0.00 H new ATOM 0 HA LYS A 36 3.638 -12.527 9.793 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.939 -10.662 9.238 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.343 -9.978 9.478 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.058 -9.946 11.651 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.365 -11.555 11.634 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.481 -12.607 11.446 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.265 -11.146 10.878 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.978 -11.326 13.119 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.701 -10.127 13.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.472 -11.751 14.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.151 -11.858 13.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.388 -13.019 13.824 1.00 0.00 H new ATOM 525 N TYR A 37 4.283 -11.700 6.691 1.00 0.00 N ATOM 526 CA TYR A 37 3.673 -11.356 5.412 1.00 0.00 C ATOM 527 C TYR A 37 2.698 -12.441 4.964 1.00 0.00 C ATOM 528 O TYR A 37 1.518 -12.175 4.739 1.00 0.00 O ATOM 529 CB TYR A 37 4.752 -11.153 4.347 1.00 0.00 C ATOM 530 CG TYR A 37 4.217 -11.172 2.932 1.00 0.00 C ATOM 531 CD1 TYR A 37 3.738 -10.013 2.334 1.00 0.00 C ATOM 532 CD2 TYR A 37 4.191 -12.349 2.194 1.00 0.00 C ATOM 533 CE1 TYR A 37 3.248 -10.025 1.043 1.00 0.00 C ATOM 534 CE2 TYR A 37 3.704 -12.370 0.902 1.00 0.00 C ATOM 535 CZ TYR A 37 3.234 -11.206 0.330 1.00 0.00 C ATOM 536 OH TYR A 37 2.747 -11.224 -0.956 1.00 0.00 O ATOM 0 H TYR A 37 5.277 -11.922 6.638 1.00 0.00 H new ATOM 0 HA TYR A 37 3.119 -10.426 5.541 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.252 -10.201 4.525 1.00 0.00 H new ATOM 0 HB3 TYR A 37 5.506 -11.933 4.452 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.749 -9.086 2.889 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.558 -13.263 2.638 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.878 -9.115 0.594 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.691 -13.293 0.342 1.00 0.00 H new ATOM 0 HH TYR A 37 2.809 -12.133 -1.317 1.00 0.00 H new ATOM 546 N GLN A 38 3.202 -13.665 4.838 1.00 0.00 N ATOM 547 CA GLN A 38 2.377 -14.790 4.417 1.00 0.00 C ATOM 548 C GLN A 38 1.078 -14.842 5.215 1.00 0.00 C ATOM 549 O GLN A 38 -0.009 -14.947 4.647 1.00 0.00 O ATOM 550 CB GLN A 38 3.144 -16.103 4.583 1.00 0.00 C ATOM 551 CG GLN A 38 4.258 -16.290 3.565 1.00 0.00 C ATOM 552 CD GLN A 38 4.539 -17.750 3.270 1.00 0.00 C ATOM 553 OE1 GLN A 38 4.288 -18.623 4.101 1.00 0.00 O ATOM 554 NE2 GLN A 38 5.063 -18.024 2.081 1.00 0.00 N ATOM 0 H GLN A 38 4.177 -13.902 5.021 1.00 0.00 H new ATOM 0 HA GLN A 38 2.130 -14.652 3.364 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.569 -16.141 5.586 1.00 0.00 H new ATOM 0 HB3 GLN A 38 2.445 -16.935 4.501 1.00 0.00 H new ATOM 0 HG2 GLN A 38 3.988 -15.781 2.639 1.00 0.00 H new ATOM 0 HG3 GLN A 38 5.167 -15.817 3.936 1.00 0.00 H new ATOM 0 HE21 GLN A 38 5.255 -17.269 1.422 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.273 -18.989 1.826 1.00 0.00 H new ATOM 563 N LYS A 39 1.199 -14.768 6.536 1.00 0.00 N ATOM 564 CA LYS A 39 0.035 -14.805 7.414 1.00 0.00 C ATOM 565 C LYS A 39 -0.874 -13.606 7.164 1.00 0.00 C ATOM 566 O LYS A 39 -2.063 -13.638 7.486 1.00 0.00 O ATOM 567 CB LYS A 39 0.477 -14.826 8.879 1.00 0.00 C ATOM 568 CG LYS A 39 0.923 -13.471 9.400 1.00 0.00 C ATOM 569 CD LYS A 39 0.979 -13.447 10.918 1.00 0.00 C ATOM 570 CE LYS A 39 -0.383 -13.138 11.521 1.00 0.00 C ATOM 571 NZ LYS A 39 -0.611 -11.672 11.653 1.00 0.00 N ATOM 0 H LYS A 39 2.091 -14.682 7.022 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.525 -15.715 7.196 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.347 -15.188 9.493 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.296 -15.537 8.993 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.906 -13.230 8.995 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.236 -12.701 9.048 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.331 -14.411 11.285 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.701 -12.699 11.245 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.164 -13.572 10.897 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.461 -13.608 12.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.632 -11.475 11.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.225 -11.341 12.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.136 -11.175 10.873 1.00 0.00 H new ATOM 585 N LEU A 40 -0.309 -12.552 6.586 1.00 0.00 N ATOM 586 CA LEU A 40 -1.070 -11.343 6.291 1.00 0.00 C ATOM 587 C LEU A 40 -1.442 -11.281 4.813 1.00 0.00 C ATOM 588 O LEU A 40 -1.763 -10.215 4.287 1.00 0.00 O ATOM 589 CB LEU A 40 -0.263 -10.102 6.677 1.00 0.00 C ATOM 590 CG LEU A 40 -0.033 -9.891 8.174 1.00 0.00 C ATOM 591 CD1 LEU A 40 0.922 -8.731 8.409 1.00 0.00 C ATOM 592 CD2 LEU A 40 -1.354 -9.648 8.888 1.00 0.00 C ATOM 0 H LEU A 40 0.673 -12.510 6.312 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.988 -11.369 6.878 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.708 -10.157 6.185 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.773 -9.224 6.281 1.00 0.00 H new ATOM 0 HG LEU A 40 0.418 -10.795 8.583 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.074 -8.596 9.480 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.878 -8.944 7.931 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.500 -7.820 7.985 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.171 -9.500 9.952 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.833 -8.760 8.475 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.007 -10.510 8.749 1.00 0.00 H new ATOM 604 N ILE A 41 -1.398 -12.431 4.148 1.00 0.00 N ATOM 605 CA ILE A 41 -1.734 -12.508 2.732 1.00 0.00 C ATOM 606 C ILE A 41 -3.039 -13.266 2.517 1.00 0.00 C ATOM 607 O ILE A 41 -3.741 -13.049 1.528 1.00 0.00 O ATOM 608 CB ILE A 41 -0.616 -13.194 1.925 1.00 0.00 C ATOM 609 CG1 ILE A 41 0.558 -12.234 1.720 1.00 0.00 C ATOM 610 CG2 ILE A 41 -1.151 -13.679 0.586 1.00 0.00 C ATOM 611 CD1 ILE A 41 0.260 -11.116 0.746 1.00 0.00 C ATOM 0 H ILE A 41 -1.133 -13.322 4.568 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.850 -11.483 2.379 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.260 -14.058 2.487 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.837 -11.803 2.682 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.420 -12.797 1.362 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.349 -14.162 0.027 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.957 -14.393 0.753 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.530 -12.830 0.017 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.136 -10.474 0.649 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.010 -11.538 -0.227 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.581 -10.528 1.113 1.00 0.00 H new ATOM 623 N LEU A 42 -3.361 -14.155 3.450 1.00 0.00 N ATOM 624 CA LEU A 42 -4.584 -14.945 3.364 1.00 0.00 C ATOM 625 C LEU A 42 -5.674 -14.361 4.257 1.00 0.00 C ATOM 626 O LEU A 42 -6.817 -14.819 4.242 1.00 0.00 O ATOM 627 CB LEU A 42 -4.307 -16.396 3.762 1.00 0.00 C ATOM 628 CG LEU A 42 -3.183 -16.611 4.776 1.00 0.00 C ATOM 629 CD1 LEU A 42 -3.577 -16.052 6.135 1.00 0.00 C ATOM 630 CD2 LEU A 42 -2.838 -18.089 4.885 1.00 0.00 C ATOM 0 H LEU A 42 -2.792 -14.347 4.275 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.932 -14.918 2.331 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.224 -16.821 4.170 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.068 -16.960 2.860 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.299 -16.077 4.428 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.765 -16.214 6.844 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.773 -14.984 6.046 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.475 -16.558 6.490 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.036 -18.223 5.611 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.718 -18.645 5.209 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.513 -18.459 3.913 1.00 0.00 H new ATOM 642 N LEU A 43 -5.313 -13.345 5.034 1.00 0.00 N ATOM 643 CA LEU A 43 -6.260 -12.695 5.933 1.00 0.00 C ATOM 644 C LEU A 43 -7.052 -11.616 5.202 1.00 0.00 C ATOM 645 O LEU A 43 -8.154 -11.253 5.615 1.00 0.00 O ATOM 646 CB LEU A 43 -5.524 -12.084 7.127 1.00 0.00 C ATOM 647 CG LEU A 43 -5.143 -13.052 8.247 1.00 0.00 C ATOM 648 CD1 LEU A 43 -4.454 -12.310 9.382 1.00 0.00 C ATOM 649 CD2 LEU A 43 -6.374 -13.787 8.759 1.00 0.00 C ATOM 0 H LEU A 43 -4.371 -12.954 5.059 1.00 0.00 H new ATOM 0 HA LEU A 43 -6.958 -13.451 6.293 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.615 -11.606 6.762 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.149 -11.298 7.550 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.446 -13.787 7.844 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.190 -13.015 10.170 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.550 -11.830 9.007 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.127 -11.553 9.783 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.084 -14.472 9.556 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.094 -13.066 9.145 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.827 -14.351 7.943 1.00 0.00 H new ATOM 661 N TYR A 44 -6.485 -11.108 4.114 1.00 0.00 N ATOM 662 CA TYR A 44 -7.137 -10.070 3.325 1.00 0.00 C ATOM 663 C TYR A 44 -7.316 -10.517 1.878 1.00 0.00 C ATOM 664 O TYR A 44 -7.775 -9.750 1.030 1.00 0.00 O ATOM 665 CB TYR A 44 -6.323 -8.776 3.374 1.00 0.00 C ATOM 666 CG TYR A 44 -6.014 -8.307 4.778 1.00 0.00 C ATOM 667 CD1 TYR A 44 -4.908 -8.791 5.465 1.00 0.00 C ATOM 668 CD2 TYR A 44 -6.827 -7.379 5.416 1.00 0.00 C ATOM 669 CE1 TYR A 44 -4.622 -8.367 6.748 1.00 0.00 C ATOM 670 CE2 TYR A 44 -6.548 -6.948 6.698 1.00 0.00 C ATOM 671 CZ TYR A 44 -5.445 -7.444 7.360 1.00 0.00 C ATOM 672 OH TYR A 44 -5.163 -7.018 8.638 1.00 0.00 O ATOM 0 H TYR A 44 -5.574 -11.398 3.758 1.00 0.00 H new ATOM 0 HA TYR A 44 -8.122 -9.888 3.754 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.387 -8.925 2.836 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.871 -7.992 2.851 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -4.260 -9.511 4.988 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -7.692 -6.988 4.901 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.759 -8.756 7.269 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -7.191 -6.226 7.180 1.00 0.00 H new ATOM 0 HH TYR A 44 -5.839 -6.368 8.923 1.00 0.00 H new ATOM 682 N HIS A 45 -6.952 -11.765 1.601 1.00 0.00 N ATOM 683 CA HIS A 45 -7.073 -12.317 0.257 1.00 0.00 C ATOM 684 C HIS A 45 -8.526 -12.301 -0.208 1.00 0.00 C ATOM 685 O HIS A 45 -9.451 -12.580 0.555 1.00 0.00 O ATOM 686 CB HIS A 45 -6.530 -13.746 0.218 1.00 0.00 C ATOM 687 CG HIS A 45 -6.031 -14.160 -1.132 1.00 0.00 C ATOM 688 ND1 HIS A 45 -6.836 -14.749 -2.084 1.00 0.00 N ATOM 689 CD2 HIS A 45 -4.800 -14.067 -1.688 1.00 0.00 C ATOM 690 CE1 HIS A 45 -6.122 -15.001 -3.166 1.00 0.00 C ATOM 691 NE2 HIS A 45 -4.883 -14.596 -2.952 1.00 0.00 N ATOM 0 H HIS A 45 -6.571 -12.413 2.290 1.00 0.00 H new ATOM 0 HA HIS A 45 -6.486 -11.694 -0.418 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -5.719 -13.837 0.940 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -7.315 -14.433 0.532 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.917 -13.654 -1.223 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.489 -15.460 -4.072 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -4.113 -14.665 -3.618 1.00 0.00 H new ATOM 700 N PRO A 46 -8.734 -11.965 -1.490 1.00 0.00 N ATOM 701 CA PRO A 46 -10.073 -11.904 -2.085 1.00 0.00 C ATOM 702 C PRO A 46 -10.701 -13.284 -2.243 1.00 0.00 C ATOM 703 O PRO A 46 -11.874 -13.482 -1.929 1.00 0.00 O ATOM 704 CB PRO A 46 -9.822 -11.270 -3.456 1.00 0.00 C ATOM 705 CG PRO A 46 -8.405 -11.602 -3.774 1.00 0.00 C ATOM 706 CD PRO A 46 -7.679 -11.620 -2.457 1.00 0.00 C ATOM 0 HA PRO A 46 -10.771 -11.345 -1.462 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -10.501 -11.672 -4.208 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.979 -10.192 -3.428 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -8.333 -12.569 -4.273 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.973 -10.863 -4.448 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.874 -12.355 -2.452 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.229 -10.653 -2.233 1.00 0.00 H new ATOM 714 N ASP A 47 -9.912 -14.235 -2.731 1.00 0.00 N ATOM 715 CA ASP A 47 -10.391 -15.598 -2.929 1.00 0.00 C ATOM 716 C ASP A 47 -10.689 -16.269 -1.592 1.00 0.00 C ATOM 717 O ASP A 47 -11.691 -16.969 -1.446 1.00 0.00 O ATOM 718 CB ASP A 47 -9.358 -16.417 -3.705 1.00 0.00 C ATOM 719 CG ASP A 47 -9.903 -17.757 -4.159 1.00 0.00 C ATOM 720 OD1 ASP A 47 -10.858 -17.767 -4.963 1.00 0.00 O ATOM 721 OD2 ASP A 47 -9.376 -18.796 -3.708 1.00 0.00 O ATOM 0 H ASP A 47 -8.938 -14.087 -2.997 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.315 -15.552 -3.506 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -9.028 -15.849 -4.575 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -8.481 -16.578 -3.078 1.00 0.00 H new ATOM 726 N LYS A 48 -9.812 -16.052 -0.618 1.00 0.00 N ATOM 727 CA LYS A 48 -9.979 -16.634 0.708 1.00 0.00 C ATOM 728 C LYS A 48 -11.280 -16.161 1.350 1.00 0.00 C ATOM 729 O LYS A 48 -11.786 -16.787 2.281 1.00 0.00 O ATOM 730 CB LYS A 48 -8.794 -16.266 1.603 1.00 0.00 C ATOM 731 CG LYS A 48 -7.458 -16.763 1.078 1.00 0.00 C ATOM 732 CD LYS A 48 -7.148 -18.164 1.578 1.00 0.00 C ATOM 733 CE LYS A 48 -5.855 -18.696 0.979 1.00 0.00 C ATOM 734 NZ LYS A 48 -5.588 -20.101 1.395 1.00 0.00 N ATOM 0 H LYS A 48 -8.977 -15.476 -0.723 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.021 -17.718 0.598 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.753 -15.182 1.709 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.960 -16.678 2.599 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.470 -16.759 -0.012 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.667 -16.081 1.390 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.070 -18.154 2.665 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.970 -18.833 1.323 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.910 -18.643 -0.108 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.024 -18.062 1.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.698 -20.427 0.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.510 -20.147 2.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.369 -20.711 1.079 1.00 0.00 H new ATOM 748 N GLN A 49 -11.816 -15.055 0.844 1.00 0.00 N ATOM 749 CA GLN A 49 -13.058 -14.500 1.368 1.00 0.00 C ATOM 750 C GLN A 49 -14.152 -15.562 1.416 1.00 0.00 C ATOM 751 O GLN A 49 -14.052 -16.600 0.761 1.00 0.00 O ATOM 752 CB GLN A 49 -13.515 -13.319 0.511 1.00 0.00 C ATOM 753 CG GLN A 49 -12.520 -12.170 0.477 1.00 0.00 C ATOM 754 CD GLN A 49 -12.252 -11.590 1.852 1.00 0.00 C ATOM 755 OE1 GLN A 49 -12.902 -10.633 2.272 1.00 0.00 O ATOM 756 NE2 GLN A 49 -11.289 -12.168 2.561 1.00 0.00 N ATOM 0 H GLN A 49 -11.410 -14.526 0.072 1.00 0.00 H new ATOM 0 HA GLN A 49 -12.870 -14.152 2.384 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -13.691 -13.666 -0.507 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -14.468 -12.952 0.892 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -11.582 -12.519 0.045 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -12.900 -11.385 -0.177 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -10.775 -12.959 2.173 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.063 -11.820 3.493 1.00 0.00 H new ATOM 765 N SER A 50 -15.195 -15.296 2.196 1.00 0.00 N ATOM 766 CA SER A 50 -16.305 -16.231 2.332 1.00 0.00 C ATOM 767 C SER A 50 -17.631 -15.486 2.454 1.00 0.00 C ATOM 768 O SER A 50 -17.672 -14.338 2.895 1.00 0.00 O ATOM 769 CB SER A 50 -16.097 -17.128 3.554 1.00 0.00 C ATOM 770 OG SER A 50 -14.967 -17.966 3.385 1.00 0.00 O ATOM 0 H SER A 50 -15.294 -14.441 2.743 1.00 0.00 H new ATOM 0 HA SER A 50 -16.337 -16.851 1.436 1.00 0.00 H new ATOM 0 HB2 SER A 50 -15.967 -16.512 4.444 1.00 0.00 H new ATOM 0 HB3 SER A 50 -16.985 -17.738 3.716 1.00 0.00 H new ATOM 0 HG SER A 50 -14.855 -18.528 4.180 1.00 0.00 H new ATOM 776 N ALA A 51 -18.713 -16.149 2.061 1.00 0.00 N ATOM 777 CA ALA A 51 -20.041 -15.551 2.128 1.00 0.00 C ATOM 778 C ALA A 51 -20.326 -15.000 3.521 1.00 0.00 C ATOM 779 O ALA A 51 -21.207 -14.159 3.697 1.00 0.00 O ATOM 780 CB ALA A 51 -21.099 -16.572 1.736 1.00 0.00 C ATOM 0 H ALA A 51 -18.696 -17.100 1.693 1.00 0.00 H new ATOM 0 HA ALA A 51 -20.074 -14.720 1.424 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -22.086 -16.112 1.790 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -20.914 -16.915 0.718 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -21.056 -17.421 2.418 1.00 0.00 H new ATOM 786 N ASP A 52 -19.575 -15.479 4.506 1.00 0.00 N ATOM 787 CA ASP A 52 -19.746 -15.033 5.884 1.00 0.00 C ATOM 788 C ASP A 52 -19.566 -13.523 5.993 1.00 0.00 C ATOM 789 O ASP A 52 -20.462 -12.811 6.447 1.00 0.00 O ATOM 790 CB ASP A 52 -18.751 -15.746 6.801 1.00 0.00 C ATOM 791 CG ASP A 52 -18.714 -15.146 8.193 1.00 0.00 C ATOM 792 OD1 ASP A 52 -19.758 -15.172 8.877 1.00 0.00 O ATOM 793 OD2 ASP A 52 -17.641 -14.651 8.597 1.00 0.00 O ATOM 0 H ASP A 52 -18.842 -16.176 4.376 1.00 0.00 H new ATOM 0 HA ASP A 52 -20.760 -15.283 6.197 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -19.017 -16.801 6.870 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -17.755 -15.696 6.360 1.00 0.00 H new ATOM 798 N VAL A 53 -18.401 -13.039 5.573 1.00 0.00 N ATOM 799 CA VAL A 53 -18.102 -11.613 5.624 1.00 0.00 C ATOM 800 C VAL A 53 -19.069 -10.818 4.753 1.00 0.00 C ATOM 801 O VAL A 53 -19.444 -11.236 3.657 1.00 0.00 O ATOM 802 CB VAL A 53 -16.661 -11.325 5.165 1.00 0.00 C ATOM 803 CG1 VAL A 53 -15.689 -12.296 5.816 1.00 0.00 C ATOM 804 CG2 VAL A 53 -16.561 -11.393 3.649 1.00 0.00 C ATOM 0 H VAL A 53 -17.649 -13.614 5.194 1.00 0.00 H new ATOM 0 HA VAL A 53 -18.213 -11.303 6.663 1.00 0.00 H new ATOM 0 HB VAL A 53 -16.393 -10.316 5.479 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -14.676 -12.077 5.480 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -15.742 -12.192 6.900 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -15.952 -13.316 5.536 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -15.536 -11.187 3.342 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -16.848 -12.388 3.310 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -17.228 -10.653 3.207 1.00 0.00 H new ATOM 814 N PRO A 54 -19.485 -9.644 5.251 1.00 0.00 N ATOM 815 CA PRO A 54 -20.413 -8.764 4.534 1.00 0.00 C ATOM 816 C PRO A 54 -19.776 -8.129 3.303 1.00 0.00 C ATOM 817 O PRO A 54 -18.705 -8.544 2.863 1.00 0.00 O ATOM 818 CB PRO A 54 -20.758 -7.692 5.571 1.00 0.00 C ATOM 819 CG PRO A 54 -19.591 -7.670 6.496 1.00 0.00 C ATOM 820 CD PRO A 54 -19.079 -9.084 6.551 1.00 0.00 C ATOM 0 HA PRO A 54 -21.280 -9.307 4.157 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -20.909 -6.720 5.101 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -21.679 -7.936 6.101 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -18.820 -6.990 6.135 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -19.885 -7.322 7.487 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -17.997 -9.115 6.682 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -19.517 -9.638 7.382 1.00 0.00 H new ATOM 828 N ALA A 55 -20.443 -7.120 2.751 1.00 0.00 N ATOM 829 CA ALA A 55 -19.940 -6.426 1.572 1.00 0.00 C ATOM 830 C ALA A 55 -18.968 -5.317 1.961 1.00 0.00 C ATOM 831 O ALA A 55 -17.930 -5.137 1.325 1.00 0.00 O ATOM 832 CB ALA A 55 -21.096 -5.858 0.762 1.00 0.00 C ATOM 0 H ALA A 55 -21.333 -6.765 3.102 1.00 0.00 H new ATOM 0 HA ALA A 55 -19.400 -7.147 0.958 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -20.706 -5.342 -0.116 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -21.751 -6.669 0.445 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -21.659 -5.155 1.376 1.00 0.00 H new ATOM 838 N GLY A 56 -19.313 -4.574 3.008 1.00 0.00 N ATOM 839 CA GLY A 56 -18.461 -3.491 3.462 1.00 0.00 C ATOM 840 C GLY A 56 -17.039 -3.944 3.727 1.00 0.00 C ATOM 841 O GLY A 56 -16.092 -3.425 3.134 1.00 0.00 O ATOM 0 H GLY A 56 -20.167 -4.703 3.550 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.453 -2.700 2.712 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.878 -3.062 4.373 1.00 0.00 H new ATOM 845 N THR A 57 -16.885 -4.915 4.622 1.00 0.00 N ATOM 846 CA THR A 57 -15.569 -5.436 4.967 1.00 0.00 C ATOM 847 C THR A 57 -14.725 -5.666 3.718 1.00 0.00 C ATOM 848 O THR A 57 -13.535 -5.351 3.696 1.00 0.00 O ATOM 849 CB THR A 57 -15.675 -6.758 5.751 1.00 0.00 C ATOM 850 OG1 THR A 57 -16.298 -6.526 7.019 1.00 0.00 O ATOM 851 CG2 THR A 57 -14.300 -7.374 5.961 1.00 0.00 C ATOM 0 H THR A 57 -17.657 -5.357 5.121 1.00 0.00 H new ATOM 0 HA THR A 57 -15.088 -4.687 5.596 1.00 0.00 H new ATOM 0 HB THR A 57 -16.282 -7.452 5.170 1.00 0.00 H new ATOM 0 HG1 THR A 57 -16.363 -7.371 7.511 1.00 0.00 H new ATOM 0 HG21 THR A 57 -14.400 -8.306 6.517 1.00 0.00 H new ATOM 0 HG22 THR A 57 -13.840 -7.576 4.994 1.00 0.00 H new ATOM 0 HG23 THR A 57 -13.673 -6.682 6.523 1.00 0.00 H new ATOM 859 N MET A 58 -15.348 -6.217 2.682 1.00 0.00 N ATOM 860 CA MET A 58 -14.653 -6.487 1.428 1.00 0.00 C ATOM 861 C MET A 58 -13.811 -5.287 1.004 1.00 0.00 C ATOM 862 O MET A 58 -12.616 -5.418 0.743 1.00 0.00 O ATOM 863 CB MET A 58 -15.657 -6.835 0.328 1.00 0.00 C ATOM 864 CG MET A 58 -15.064 -7.673 -0.793 1.00 0.00 C ATOM 865 SD MET A 58 -14.311 -9.198 -0.196 1.00 0.00 S ATOM 866 CE MET A 58 -12.572 -8.779 -0.299 1.00 0.00 C ATOM 0 H MET A 58 -16.332 -6.485 2.685 1.00 0.00 H new ATOM 0 HA MET A 58 -13.989 -7.337 1.585 1.00 0.00 H new ATOM 0 HB2 MET A 58 -16.495 -7.374 0.770 1.00 0.00 H new ATOM 0 HB3 MET A 58 -16.058 -5.912 -0.092 1.00 0.00 H new ATOM 0 HG2 MET A 58 -15.846 -7.916 -1.512 1.00 0.00 H new ATOM 0 HG3 MET A 58 -14.314 -7.085 -1.323 1.00 0.00 H new ATOM 0 HE1 MET A 58 -12.088 -9.415 -1.040 1.00 0.00 H new ATOM 0 HE2 MET A 58 -12.466 -7.735 -0.592 1.00 0.00 H new ATOM 0 HE3 MET A 58 -12.103 -8.932 0.673 1.00 0.00 H new ATOM 876 N GLU A 59 -14.444 -4.120 0.937 1.00 0.00 N ATOM 877 CA GLU A 59 -13.751 -2.898 0.543 1.00 0.00 C ATOM 878 C GLU A 59 -12.482 -2.702 1.368 1.00 0.00 C ATOM 879 O GLU A 59 -11.419 -2.403 0.826 1.00 0.00 O ATOM 880 CB GLU A 59 -14.673 -1.688 0.708 1.00 0.00 C ATOM 881 CG GLU A 59 -14.068 -0.389 0.203 1.00 0.00 C ATOM 882 CD GLU A 59 -14.119 -0.270 -1.307 1.00 0.00 C ATOM 883 OE1 GLU A 59 -13.792 -1.261 -1.993 1.00 0.00 O ATOM 884 OE2 GLU A 59 -14.488 0.815 -1.804 1.00 0.00 O ATOM 0 H GLU A 59 -15.434 -3.995 1.150 1.00 0.00 H new ATOM 0 HA GLU A 59 -13.470 -2.991 -0.506 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -15.605 -1.876 0.175 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -14.926 -1.576 1.762 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.600 0.452 0.648 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.032 -0.322 0.534 1.00 0.00 H new ATOM 891 N GLU A 60 -12.604 -2.872 2.680 1.00 0.00 N ATOM 892 CA GLU A 60 -11.468 -2.712 3.579 1.00 0.00 C ATOM 893 C GLU A 60 -10.395 -3.758 3.291 1.00 0.00 C ATOM 894 O GLU A 60 -9.207 -3.440 3.214 1.00 0.00 O ATOM 895 CB GLU A 60 -11.922 -2.820 5.036 1.00 0.00 C ATOM 896 CG GLU A 60 -12.803 -1.666 5.486 1.00 0.00 C ATOM 897 CD GLU A 60 -12.019 -0.387 5.712 1.00 0.00 C ATOM 898 OE1 GLU A 60 -11.308 0.045 4.781 1.00 0.00 O ATOM 899 OE2 GLU A 60 -12.118 0.180 6.820 1.00 0.00 O ATOM 0 H GLU A 60 -13.478 -3.120 3.144 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.042 -1.723 3.411 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.466 -3.755 5.170 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.043 -2.867 5.679 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.573 -1.488 4.736 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -13.314 -1.942 6.408 1.00 0.00 H new ATOM 906 N CYS A 61 -10.821 -5.006 3.135 1.00 0.00 N ATOM 907 CA CYS A 61 -9.897 -6.101 2.857 1.00 0.00 C ATOM 908 C CYS A 61 -8.951 -5.737 1.718 1.00 0.00 C ATOM 909 O CYS A 61 -7.747 -5.980 1.796 1.00 0.00 O ATOM 910 CB CYS A 61 -10.671 -7.372 2.507 1.00 0.00 C ATOM 911 SG CYS A 61 -11.070 -8.410 3.933 1.00 0.00 S ATOM 0 H CYS A 61 -11.800 -5.286 3.196 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.304 -6.281 3.754 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -11.597 -7.094 2.003 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -10.086 -7.957 1.798 1.00 0.00 H new ATOM 0 HG CYS A 61 -11.834 -9.391 3.555 1.00 0.00 H new ATOM 917 N MET A 62 -9.504 -5.155 0.659 1.00 0.00 N ATOM 918 CA MET A 62 -8.708 -4.758 -0.497 1.00 0.00 C ATOM 919 C MET A 62 -7.594 -3.800 -0.088 1.00 0.00 C ATOM 920 O MET A 62 -6.413 -4.094 -0.270 1.00 0.00 O ATOM 921 CB MET A 62 -9.598 -4.102 -1.555 1.00 0.00 C ATOM 922 CG MET A 62 -9.010 -4.144 -2.956 1.00 0.00 C ATOM 923 SD MET A 62 -9.439 -5.654 -3.844 1.00 0.00 S ATOM 924 CE MET A 62 -7.813 -6.258 -4.289 1.00 0.00 C ATOM 0 H MET A 62 -10.499 -4.948 0.577 1.00 0.00 H new ATOM 0 HA MET A 62 -8.254 -5.655 -0.919 1.00 0.00 H new ATOM 0 HB2 MET A 62 -10.567 -4.600 -1.562 1.00 0.00 H new ATOM 0 HB3 MET A 62 -9.775 -3.063 -1.275 1.00 0.00 H new ATOM 0 HG2 MET A 62 -9.365 -3.282 -3.521 1.00 0.00 H new ATOM 0 HG3 MET A 62 -7.925 -4.060 -2.893 1.00 0.00 H new ATOM 0 HE1 MET A 62 -7.911 -7.190 -4.845 1.00 0.00 H new ATOM 0 HE2 MET A 62 -7.307 -5.517 -4.908 1.00 0.00 H new ATOM 0 HE3 MET A 62 -7.230 -6.435 -3.385 1.00 0.00 H new ATOM 934 N GLN A 63 -7.979 -2.654 0.465 1.00 0.00 N ATOM 935 CA GLN A 63 -7.011 -1.654 0.899 1.00 0.00 C ATOM 936 C GLN A 63 -5.820 -2.311 1.588 1.00 0.00 C ATOM 937 O GLN A 63 -4.670 -2.098 1.202 1.00 0.00 O ATOM 938 CB GLN A 63 -7.673 -0.650 1.845 1.00 0.00 C ATOM 939 CG GLN A 63 -8.599 0.329 1.142 1.00 0.00 C ATOM 940 CD GLN A 63 -7.850 1.323 0.277 1.00 0.00 C ATOM 941 OE1 GLN A 63 -7.747 1.153 -0.938 1.00 0.00 O ATOM 942 NE2 GLN A 63 -7.321 2.370 0.900 1.00 0.00 N ATOM 0 H GLN A 63 -8.953 -2.396 0.623 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.650 -1.127 0.016 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -8.239 -1.194 2.601 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.897 -0.091 2.369 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -9.305 -0.225 0.524 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -9.183 0.869 1.887 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -7.430 2.472 1.909 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -6.805 3.072 0.369 1.00 0.00 H new ATOM 951 N LYS A 64 -6.102 -3.111 2.611 1.00 0.00 N ATOM 952 CA LYS A 64 -5.055 -3.801 3.355 1.00 0.00 C ATOM 953 C LYS A 64 -4.238 -4.703 2.435 1.00 0.00 C ATOM 954 O LYS A 64 -3.057 -4.453 2.192 1.00 0.00 O ATOM 955 CB LYS A 64 -5.666 -4.629 4.487 1.00 0.00 C ATOM 956 CG LYS A 64 -6.579 -3.830 5.401 1.00 0.00 C ATOM 957 CD LYS A 64 -5.796 -2.823 6.228 1.00 0.00 C ATOM 958 CE LYS A 64 -5.293 -3.437 7.525 1.00 0.00 C ATOM 959 NZ LYS A 64 -3.956 -4.069 7.357 1.00 0.00 N ATOM 0 H LYS A 64 -7.048 -3.298 2.944 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.391 -3.049 3.781 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.230 -5.456 4.057 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.863 -5.065 5.081 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.328 -3.309 4.804 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.116 -4.508 6.064 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.951 -2.453 5.648 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.429 -1.964 6.452 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.236 -2.666 8.294 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.006 -4.184 7.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.348 -3.813 8.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.063 -5.103 7.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.522 -3.733 6.474 1.00 0.00 H new ATOM 973 N PHE A 65 -4.875 -5.752 1.924 1.00 0.00 N ATOM 974 CA PHE A 65 -4.208 -6.690 1.030 1.00 0.00 C ATOM 975 C PHE A 65 -3.243 -5.962 0.098 1.00 0.00 C ATOM 976 O PHE A 65 -2.130 -6.428 -0.147 1.00 0.00 O ATOM 977 CB PHE A 65 -5.239 -7.467 0.208 1.00 0.00 C ATOM 978 CG PHE A 65 -4.626 -8.407 -0.789 1.00 0.00 C ATOM 979 CD1 PHE A 65 -3.971 -9.553 -0.369 1.00 0.00 C ATOM 980 CD2 PHE A 65 -4.705 -8.144 -2.148 1.00 0.00 C ATOM 981 CE1 PHE A 65 -3.406 -10.421 -1.285 1.00 0.00 C ATOM 982 CE2 PHE A 65 -4.142 -9.009 -3.068 1.00 0.00 C ATOM 983 CZ PHE A 65 -3.491 -10.148 -2.636 1.00 0.00 C ATOM 0 H PHE A 65 -5.852 -5.973 2.114 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.638 -7.390 1.640 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.878 -8.034 0.885 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -5.880 -6.760 -0.318 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.901 -9.771 0.686 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -5.212 -7.254 -2.492 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.899 -11.312 -0.944 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -4.211 -8.794 -4.124 1.00 0.00 H new ATOM 0 HZ PHE A 65 -3.049 -10.824 -3.353 1.00 0.00 H new ATOM 993 N ILE A 66 -3.678 -4.818 -0.417 1.00 0.00 N ATOM 994 CA ILE A 66 -2.854 -4.025 -1.320 1.00 0.00 C ATOM 995 C ILE A 66 -1.590 -3.534 -0.623 1.00 0.00 C ATOM 996 O ILE A 66 -0.485 -3.684 -1.143 1.00 0.00 O ATOM 997 CB ILE A 66 -3.627 -2.812 -1.870 1.00 0.00 C ATOM 998 CG1 ILE A 66 -4.762 -3.276 -2.786 1.00 0.00 C ATOM 999 CG2 ILE A 66 -2.687 -1.877 -2.616 1.00 0.00 C ATOM 1000 CD1 ILE A 66 -5.757 -2.185 -3.115 1.00 0.00 C ATOM 0 H ILE A 66 -4.597 -4.419 -0.224 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.579 -4.677 -2.149 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.060 -2.266 -1.032 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.336 -3.660 -3.713 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.287 -4.104 -2.310 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.249 -1.025 -2.998 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.910 -1.524 -1.937 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.227 -2.411 -3.448 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -6.533 -2.585 -3.768 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.211 -1.817 -2.195 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.245 -1.366 -3.620 1.00 0.00 H new ATOM 1012 N GLU A 67 -1.761 -2.948 0.558 1.00 0.00 N ATOM 1013 CA GLU A 67 -0.633 -2.436 1.327 1.00 0.00 C ATOM 1014 C GLU A 67 0.327 -3.562 1.699 1.00 0.00 C ATOM 1015 O GLU A 67 1.546 -3.406 1.615 1.00 0.00 O ATOM 1016 CB GLU A 67 -1.128 -1.733 2.593 1.00 0.00 C ATOM 1017 CG GLU A 67 -1.521 -0.282 2.369 1.00 0.00 C ATOM 1018 CD GLU A 67 -2.893 -0.140 1.738 1.00 0.00 C ATOM 1019 OE1 GLU A 67 -3.019 -0.414 0.526 1.00 0.00 O ATOM 1020 OE2 GLU A 67 -3.839 0.244 2.456 1.00 0.00 O ATOM 0 H GLU A 67 -2.669 -2.816 1.003 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.099 -1.717 0.706 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.986 -2.276 2.988 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.347 -1.776 3.352 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.507 0.246 3.323 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.780 0.197 1.729 1.00 0.00 H new ATOM 1027 N ILE A 68 -0.231 -4.695 2.112 1.00 0.00 N ATOM 1028 CA ILE A 68 0.575 -5.847 2.497 1.00 0.00 C ATOM 1029 C ILE A 68 1.453 -6.315 1.341 1.00 0.00 C ATOM 1030 O ILE A 68 2.653 -6.533 1.508 1.00 0.00 O ATOM 1031 CB ILE A 68 -0.306 -7.019 2.965 1.00 0.00 C ATOM 1032 CG1 ILE A 68 -1.258 -6.561 4.072 1.00 0.00 C ATOM 1033 CG2 ILE A 68 0.560 -8.173 3.449 1.00 0.00 C ATOM 1034 CD1 ILE A 68 -2.440 -7.482 4.273 1.00 0.00 C ATOM 0 H ILE A 68 -1.238 -4.840 2.189 1.00 0.00 H new ATOM 0 HA ILE A 68 1.208 -5.527 3.324 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.901 -7.366 2.120 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.704 -6.485 5.008 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.623 -5.562 3.835 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.078 -8.994 3.777 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.200 -8.513 2.635 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.178 -7.839 4.282 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.071 -7.095 5.073 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.018 -7.539 3.350 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.085 -8.477 4.541 1.00 0.00 H new ATOM 1046 N ASP A 69 0.846 -6.464 0.169 1.00 0.00 N ATOM 1047 CA ASP A 69 1.573 -6.903 -1.017 1.00 0.00 C ATOM 1048 C ASP A 69 2.667 -5.906 -1.385 1.00 0.00 C ATOM 1049 O ASP A 69 3.623 -6.248 -2.080 1.00 0.00 O ATOM 1050 CB ASP A 69 0.611 -7.081 -2.193 1.00 0.00 C ATOM 1051 CG ASP A 69 1.185 -7.969 -3.281 1.00 0.00 C ATOM 1052 OD1 ASP A 69 2.104 -7.515 -3.994 1.00 0.00 O ATOM 1053 OD2 ASP A 69 0.715 -9.118 -3.417 1.00 0.00 O ATOM 0 H ASP A 69 -0.147 -6.288 0.014 1.00 0.00 H new ATOM 0 HA ASP A 69 2.042 -7.861 -0.792 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.324 -7.511 -1.832 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.371 -6.104 -2.614 1.00 0.00 H new ATOM 1058 N GLN A 70 2.518 -4.672 -0.914 1.00 0.00 N ATOM 1059 CA GLN A 70 3.493 -3.624 -1.195 1.00 0.00 C ATOM 1060 C GLN A 70 4.644 -3.669 -0.196 1.00 0.00 C ATOM 1061 O GLN A 70 5.810 -3.566 -0.573 1.00 0.00 O ATOM 1062 CB GLN A 70 2.822 -2.250 -1.157 1.00 0.00 C ATOM 1063 CG GLN A 70 2.270 -1.805 -2.502 1.00 0.00 C ATOM 1064 CD GLN A 70 1.487 -0.510 -2.411 1.00 0.00 C ATOM 1065 OE1 GLN A 70 1.370 0.085 -1.339 1.00 0.00 O ATOM 1066 NE2 GLN A 70 0.946 -0.065 -3.539 1.00 0.00 N ATOM 0 H GLN A 70 1.732 -4.373 -0.336 1.00 0.00 H new ATOM 0 HA GLN A 70 3.896 -3.796 -2.193 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.010 -2.271 -0.430 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.544 -1.512 -0.808 1.00 0.00 H new ATOM 0 HG2 GLN A 70 3.094 -1.679 -3.205 1.00 0.00 H new ATOM 0 HG3 GLN A 70 1.626 -2.587 -2.903 1.00 0.00 H new ATOM 0 HE21 GLN A 70 1.068 -0.590 -4.405 1.00 0.00 H new ATOM 0 HE22 GLN A 70 0.408 0.802 -3.540 1.00 0.00 H new ATOM 1075 N ALA A 71 4.307 -3.824 1.080 1.00 0.00 N ATOM 1076 CA ALA A 71 5.313 -3.884 2.134 1.00 0.00 C ATOM 1077 C ALA A 71 6.333 -4.982 1.856 1.00 0.00 C ATOM 1078 O ALA A 71 7.472 -4.916 2.320 1.00 0.00 O ATOM 1079 CB ALA A 71 4.649 -4.107 3.485 1.00 0.00 C ATOM 0 H ALA A 71 3.345 -3.910 1.409 1.00 0.00 H new ATOM 0 HA ALA A 71 5.841 -2.930 2.154 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.412 -4.150 4.263 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.964 -3.285 3.694 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.095 -5.046 3.468 1.00 0.00 H new ATOM 1085 N TRP A 72 5.918 -5.991 1.099 1.00 0.00 N ATOM 1086 CA TRP A 72 6.798 -7.105 0.760 1.00 0.00 C ATOM 1087 C TRP A 72 7.694 -6.751 -0.421 1.00 0.00 C ATOM 1088 O TRP A 72 8.859 -7.147 -0.471 1.00 0.00 O ATOM 1089 CB TRP A 72 5.974 -8.351 0.436 1.00 0.00 C ATOM 1090 CG TRP A 72 6.807 -9.583 0.252 1.00 0.00 C ATOM 1091 CD1 TRP A 72 6.913 -10.340 -0.881 1.00 0.00 C ATOM 1092 CD2 TRP A 72 7.651 -10.201 1.230 1.00 0.00 C ATOM 1093 NE1 TRP A 72 7.771 -11.391 -0.665 1.00 0.00 N ATOM 1094 CE2 TRP A 72 8.238 -11.328 0.621 1.00 0.00 C ATOM 1095 CE3 TRP A 72 7.969 -9.912 2.559 1.00 0.00 C ATOM 1096 CZ2 TRP A 72 9.122 -12.163 1.299 1.00 0.00 C ATOM 1097 CZ3 TRP A 72 8.846 -10.742 3.230 1.00 0.00 C ATOM 1098 CH2 TRP A 72 9.415 -11.856 2.600 1.00 0.00 C ATOM 0 H TRP A 72 4.979 -6.061 0.708 1.00 0.00 H new ATOM 0 HA TRP A 72 7.432 -7.311 1.623 1.00 0.00 H new ATOM 0 HB2 TRP A 72 5.257 -8.523 1.239 1.00 0.00 H new ATOM 0 HB3 TRP A 72 5.399 -8.171 -0.472 1.00 0.00 H new ATOM 0 HD1 TRP A 72 6.398 -10.141 -1.809 1.00 0.00 H new ATOM 0 HE1 TRP A 72 8.020 -12.103 -1.351 1.00 0.00 H new ATOM 0 HE3 TRP A 72 7.537 -9.055 3.053 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 9.561 -13.023 0.815 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 9.097 -10.528 4.258 1.00 0.00 H new ATOM 0 HH2 TRP A 72 10.098 -12.485 3.152 1.00 0.00 H new ATOM 1109 N LYS A 73 7.144 -6.003 -1.372 1.00 0.00 N ATOM 1110 CA LYS A 73 7.894 -5.593 -2.554 1.00 0.00 C ATOM 1111 C LYS A 73 9.252 -5.017 -2.164 1.00 0.00 C ATOM 1112 O LYS A 73 10.262 -5.293 -2.811 1.00 0.00 O ATOM 1113 CB LYS A 73 7.100 -4.559 -3.354 1.00 0.00 C ATOM 1114 CG LYS A 73 6.060 -5.171 -4.276 1.00 0.00 C ATOM 1115 CD LYS A 73 5.181 -4.106 -4.910 1.00 0.00 C ATOM 1116 CE LYS A 73 5.793 -3.570 -6.195 1.00 0.00 C ATOM 1117 NZ LYS A 73 4.796 -2.829 -7.017 1.00 0.00 N ATOM 0 H LYS A 73 6.181 -5.668 -1.347 1.00 0.00 H new ATOM 0 HA LYS A 73 8.057 -6.475 -3.174 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.604 -3.879 -2.661 1.00 0.00 H new ATOM 0 HB3 LYS A 73 7.792 -3.961 -3.947 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.558 -5.745 -5.057 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.440 -5.869 -3.714 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.197 -4.524 -5.121 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.035 -3.287 -4.206 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.626 -2.910 -5.953 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.200 -4.397 -6.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.252 -2.480 -7.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.013 -3.465 -7.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.426 -2.024 -6.472 1.00 0.00 H new ATOM 1131 N ILE A 74 9.268 -4.218 -1.102 1.00 0.00 N ATOM 1132 CA ILE A 74 10.502 -3.606 -0.626 1.00 0.00 C ATOM 1133 C ILE A 74 11.181 -4.483 0.421 1.00 0.00 C ATOM 1134 O ILE A 74 12.311 -4.935 0.230 1.00 0.00 O ATOM 1135 CB ILE A 74 10.243 -2.213 -0.023 1.00 0.00 C ATOM 1136 CG1 ILE A 74 9.967 -1.196 -1.133 1.00 0.00 C ATOM 1137 CG2 ILE A 74 11.429 -1.773 0.823 1.00 0.00 C ATOM 1138 CD1 ILE A 74 8.522 -1.164 -1.578 1.00 0.00 C ATOM 0 H ILE A 74 8.440 -3.980 -0.555 1.00 0.00 H new ATOM 0 HA ILE A 74 11.158 -3.502 -1.491 1.00 0.00 H new ATOM 0 HB ILE A 74 9.364 -2.269 0.619 1.00 0.00 H new ATOM 0 HG12 ILE A 74 10.253 -0.204 -0.785 1.00 0.00 H new ATOM 0 HG13 ILE A 74 10.598 -1.427 -1.991 1.00 0.00 H new ATOM 0 HG21 ILE A 74 11.231 -0.787 1.242 1.00 0.00 H new ATOM 0 HG22 ILE A 74 11.584 -2.487 1.632 1.00 0.00 H new ATOM 0 HG23 ILE A 74 12.323 -1.730 0.201 1.00 0.00 H new ATOM 0 HD11 ILE A 74 8.400 -0.421 -2.366 1.00 0.00 H new ATOM 0 HD12 ILE A 74 8.236 -2.145 -1.957 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.886 -0.903 -0.732 1.00 0.00 H new ATOM 1150 N LEU A 75 10.486 -4.720 1.528 1.00 0.00 N ATOM 1151 CA LEU A 75 11.021 -5.544 2.606 1.00 0.00 C ATOM 1152 C LEU A 75 11.304 -6.962 2.118 1.00 0.00 C ATOM 1153 O LEU A 75 12.404 -7.483 2.298 1.00 0.00 O ATOM 1154 CB LEU A 75 10.040 -5.584 3.779 1.00 0.00 C ATOM 1155 CG LEU A 75 9.637 -4.229 4.362 1.00 0.00 C ATOM 1156 CD1 LEU A 75 8.584 -4.406 5.445 1.00 0.00 C ATOM 1157 CD2 LEU A 75 10.855 -3.502 4.914 1.00 0.00 C ATOM 0 H LEU A 75 9.550 -4.353 1.703 1.00 0.00 H new ATOM 0 HA LEU A 75 11.959 -5.099 2.939 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.137 -6.101 3.454 1.00 0.00 H new ATOM 0 HB3 LEU A 75 10.481 -6.183 4.576 1.00 0.00 H new ATOM 0 HG LEU A 75 9.209 -3.624 3.563 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.309 -3.431 5.848 1.00 0.00 H new ATOM 0 HD12 LEU A 75 7.702 -4.884 5.020 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.985 -5.029 6.244 1.00 0.00 H new ATOM 0 HD21 LEU A 75 10.549 -2.540 5.325 1.00 0.00 H new ATOM 0 HD22 LEU A 75 11.312 -4.103 5.700 1.00 0.00 H new ATOM 0 HD23 LEU A 75 11.577 -3.342 4.113 1.00 0.00 H new ATOM 1169 N GLY A 76 10.304 -7.580 1.497 1.00 0.00 N ATOM 1170 CA GLY A 76 10.467 -8.930 0.990 1.00 0.00 C ATOM 1171 C GLY A 76 11.802 -9.134 0.302 1.00 0.00 C ATOM 1172 O GLY A 76 12.367 -10.226 0.342 1.00 0.00 O ATOM 0 H GLY A 76 9.384 -7.170 1.336 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.375 -9.638 1.814 1.00 0.00 H new ATOM 0 HA3 GLY A 76 9.663 -9.151 0.288 1.00 0.00 H new ATOM 1176 N ASN A 77 12.307 -8.081 -0.332 1.00 0.00 N ATOM 1177 CA ASN A 77 13.583 -8.150 -1.034 1.00 0.00 C ATOM 1178 C ASN A 77 14.740 -7.835 -0.091 1.00 0.00 C ATOM 1179 O ASN A 77 14.532 -7.542 1.086 1.00 0.00 O ATOM 1180 CB ASN A 77 13.593 -7.177 -2.215 1.00 0.00 C ATOM 1181 CG ASN A 77 14.474 -7.658 -3.352 1.00 0.00 C ATOM 1182 OD1 ASN A 77 15.045 -8.747 -3.292 1.00 0.00 O ATOM 1183 ND2 ASN A 77 14.587 -6.845 -4.396 1.00 0.00 N ATOM 0 H ASN A 77 11.852 -7.169 -0.374 1.00 0.00 H new ATOM 0 HA ASN A 77 13.709 -9.166 -1.408 1.00 0.00 H new ATOM 0 HB2 ASN A 77 12.575 -7.042 -2.580 1.00 0.00 H new ATOM 0 HB3 ASN A 77 13.942 -6.202 -1.876 1.00 0.00 H new ATOM 0 HD21 ASN A 77 15.166 -7.114 -5.192 1.00 0.00 H new ATOM 0 HD22 ASN A 77 14.095 -5.951 -4.402 1.00 0.00 H new ATOM 1190 N GLU A 78 15.959 -7.896 -0.618 1.00 0.00 N ATOM 1191 CA GLU A 78 17.150 -7.617 0.177 1.00 0.00 C ATOM 1192 C GLU A 78 17.771 -6.282 -0.224 1.00 0.00 C ATOM 1193 O GLU A 78 18.293 -5.552 0.618 1.00 0.00 O ATOM 1194 CB GLU A 78 18.175 -8.740 0.012 1.00 0.00 C ATOM 1195 CG GLU A 78 19.510 -8.448 0.676 1.00 0.00 C ATOM 1196 CD GLU A 78 19.533 -8.843 2.140 1.00 0.00 C ATOM 1197 OE1 GLU A 78 18.465 -8.788 2.785 1.00 0.00 O ATOM 1198 OE2 GLU A 78 20.617 -9.208 2.640 1.00 0.00 O ATOM 0 H GLU A 78 16.148 -8.136 -1.591 1.00 0.00 H new ATOM 0 HA GLU A 78 16.852 -7.559 1.224 1.00 0.00 H new ATOM 0 HB2 GLU A 78 17.764 -9.659 0.430 1.00 0.00 H new ATOM 0 HB3 GLU A 78 18.339 -8.918 -1.051 1.00 0.00 H new ATOM 0 HG2 GLU A 78 20.299 -8.982 0.147 1.00 0.00 H new ATOM 0 HG3 GLU A 78 19.731 -7.384 0.587 1.00 0.00 H new ATOM 1205 N GLU A 79 17.711 -5.972 -1.515 1.00 0.00 N ATOM 1206 CA GLU A 79 18.269 -4.726 -2.028 1.00 0.00 C ATOM 1207 C GLU A 79 17.418 -3.533 -1.603 1.00 0.00 C ATOM 1208 O GLU A 79 17.914 -2.590 -0.986 1.00 0.00 O ATOM 1209 CB GLU A 79 18.370 -4.777 -3.554 1.00 0.00 C ATOM 1210 CG GLU A 79 17.041 -5.034 -4.244 1.00 0.00 C ATOM 1211 CD GLU A 79 17.208 -5.620 -5.632 1.00 0.00 C ATOM 1212 OE1 GLU A 79 17.333 -6.858 -5.742 1.00 0.00 O ATOM 1213 OE2 GLU A 79 17.215 -4.841 -6.608 1.00 0.00 O ATOM 0 H GLU A 79 17.282 -6.566 -2.225 1.00 0.00 H new ATOM 0 HA GLU A 79 19.268 -4.605 -1.609 1.00 0.00 H new ATOM 0 HB2 GLU A 79 18.780 -3.834 -3.914 1.00 0.00 H new ATOM 0 HB3 GLU A 79 19.074 -5.560 -3.837 1.00 0.00 H new ATOM 0 HG2 GLU A 79 16.446 -5.715 -3.636 1.00 0.00 H new ATOM 0 HG3 GLU A 79 16.485 -4.099 -4.313 1.00 0.00 H new ATOM 1220 N THR A 80 16.132 -3.581 -1.938 1.00 0.00 N ATOM 1221 CA THR A 80 15.212 -2.505 -1.593 1.00 0.00 C ATOM 1222 C THR A 80 15.003 -2.422 -0.086 1.00 0.00 C ATOM 1223 O THR A 80 14.727 -1.351 0.455 1.00 0.00 O ATOM 1224 CB THR A 80 13.846 -2.693 -2.280 1.00 0.00 C ATOM 1225 OG1 THR A 80 13.409 -4.050 -2.139 1.00 0.00 O ATOM 1226 CG2 THR A 80 13.928 -2.332 -3.756 1.00 0.00 C ATOM 0 H THR A 80 15.705 -4.354 -2.448 1.00 0.00 H new ATOM 0 HA THR A 80 15.664 -1.578 -1.945 1.00 0.00 H new ATOM 0 HB THR A 80 13.128 -2.029 -1.799 1.00 0.00 H new ATOM 0 HG1 THR A 80 13.125 -4.208 -1.215 1.00 0.00 H new ATOM 0 HG21 THR A 80 12.952 -2.473 -4.220 1.00 0.00 H new ATOM 0 HG22 THR A 80 14.232 -1.290 -3.859 1.00 0.00 H new ATOM 0 HG23 THR A 80 14.659 -2.974 -4.248 1.00 0.00 H new ATOM 1234 N LYS A 81 15.136 -3.559 0.589 1.00 0.00 N ATOM 1235 CA LYS A 81 14.964 -3.615 2.036 1.00 0.00 C ATOM 1236 C LYS A 81 16.156 -2.986 2.750 1.00 0.00 C ATOM 1237 O LYS A 81 16.003 -2.350 3.793 1.00 0.00 O ATOM 1238 CB LYS A 81 14.789 -5.065 2.493 1.00 0.00 C ATOM 1239 CG LYS A 81 14.652 -5.215 3.998 1.00 0.00 C ATOM 1240 CD LYS A 81 14.889 -6.650 4.439 1.00 0.00 C ATOM 1241 CE LYS A 81 15.279 -6.725 5.907 1.00 0.00 C ATOM 1242 NZ LYS A 81 16.669 -6.240 6.137 1.00 0.00 N ATOM 0 H LYS A 81 15.363 -4.455 0.157 1.00 0.00 H new ATOM 0 HA LYS A 81 14.069 -3.049 2.293 1.00 0.00 H new ATOM 0 HB2 LYS A 81 13.905 -5.485 2.012 1.00 0.00 H new ATOM 0 HB3 LYS A 81 15.644 -5.650 2.154 1.00 0.00 H new ATOM 0 HG2 LYS A 81 15.365 -4.558 4.496 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.656 -4.898 4.307 1.00 0.00 H new ATOM 0 HD2 LYS A 81 13.986 -7.237 4.271 1.00 0.00 H new ATOM 0 HD3 LYS A 81 15.676 -7.094 3.829 1.00 0.00 H new ATOM 0 HE2 LYS A 81 14.584 -6.129 6.498 1.00 0.00 H new ATOM 0 HE3 LYS A 81 15.191 -7.755 6.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 16.988 -6.536 7.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 17.301 -6.643 5.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 16.689 -5.202 6.075 1.00 0.00 H new ATOM 1256 N LYS A 82 17.343 -3.167 2.182 1.00 0.00 N ATOM 1257 CA LYS A 82 18.562 -2.615 2.763 1.00 0.00 C ATOM 1258 C LYS A 82 18.623 -1.103 2.565 1.00 0.00 C ATOM 1259 O LYS A 82 19.160 -0.378 3.402 1.00 0.00 O ATOM 1260 CB LYS A 82 19.793 -3.272 2.135 1.00 0.00 C ATOM 1261 CG LYS A 82 21.108 -2.765 2.702 1.00 0.00 C ATOM 1262 CD LYS A 82 21.627 -1.569 1.922 1.00 0.00 C ATOM 1263 CE LYS A 82 23.142 -1.464 2.006 1.00 0.00 C ATOM 1264 NZ LYS A 82 23.618 -0.079 1.734 1.00 0.00 N ATOM 0 H LYS A 82 17.487 -3.692 1.319 1.00 0.00 H new ATOM 0 HA LYS A 82 18.552 -2.824 3.833 1.00 0.00 H new ATOM 0 HB2 LYS A 82 19.735 -4.350 2.283 1.00 0.00 H new ATOM 0 HB3 LYS A 82 19.779 -3.097 1.059 1.00 0.00 H new ATOM 0 HG2 LYS A 82 20.972 -2.488 3.747 1.00 0.00 H new ATOM 0 HG3 LYS A 82 21.848 -3.565 2.678 1.00 0.00 H new ATOM 0 HD2 LYS A 82 21.324 -1.655 0.878 1.00 0.00 H new ATOM 0 HD3 LYS A 82 21.176 -0.656 2.311 1.00 0.00 H new ATOM 0 HE2 LYS A 82 23.473 -1.774 2.997 1.00 0.00 H new ATOM 0 HE3 LYS A 82 23.594 -2.151 1.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 24.442 -0.113 1.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 22.857 0.467 1.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 23.888 0.377 2.629 1.00 0.00 H new ATOM 1278 N LYS A 83 18.067 -0.634 1.453 1.00 0.00 N ATOM 1279 CA LYS A 83 18.055 0.791 1.145 1.00 0.00 C ATOM 1280 C LYS A 83 16.942 1.503 1.908 1.00 0.00 C ATOM 1281 O LYS A 83 17.113 2.634 2.362 1.00 0.00 O ATOM 1282 CB LYS A 83 17.877 1.008 -0.359 1.00 0.00 C ATOM 1283 CG LYS A 83 16.424 1.120 -0.789 1.00 0.00 C ATOM 1284 CD LYS A 83 16.304 1.415 -2.275 1.00 0.00 C ATOM 1285 CE LYS A 83 17.216 0.518 -3.097 1.00 0.00 C ATOM 1286 NZ LYS A 83 18.562 1.125 -3.293 1.00 0.00 N ATOM 0 H LYS A 83 17.618 -1.221 0.750 1.00 0.00 H new ATOM 0 HA LYS A 83 19.011 1.212 1.455 1.00 0.00 H new ATOM 0 HB2 LYS A 83 18.405 1.916 -0.652 1.00 0.00 H new ATOM 0 HB3 LYS A 83 18.343 0.181 -0.895 1.00 0.00 H new ATOM 0 HG2 LYS A 83 15.903 0.191 -0.558 1.00 0.00 H new ATOM 0 HG3 LYS A 83 15.935 1.910 -0.219 1.00 0.00 H new ATOM 0 HD2 LYS A 83 15.271 1.274 -2.593 1.00 0.00 H new ATOM 0 HD3 LYS A 83 16.555 2.459 -2.461 1.00 0.00 H new ATOM 0 HE2 LYS A 83 17.321 -0.446 -2.600 1.00 0.00 H new ATOM 0 HE3 LYS A 83 16.759 0.327 -4.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 18.735 1.265 -4.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 18.603 2.042 -2.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 19.289 0.492 -2.902 1.00 0.00 H new ATOM 1300 N TYR A 84 15.803 0.833 2.045 1.00 0.00 N ATOM 1301 CA TYR A 84 14.662 1.402 2.752 1.00 0.00 C ATOM 1302 C TYR A 84 15.063 1.865 4.150 1.00 0.00 C ATOM 1303 O TYR A 84 14.819 3.010 4.531 1.00 0.00 O ATOM 1304 CB TYR A 84 13.531 0.377 2.847 1.00 0.00 C ATOM 1305 CG TYR A 84 12.495 0.713 3.895 1.00 0.00 C ATOM 1306 CD1 TYR A 84 12.733 0.465 5.241 1.00 0.00 C ATOM 1307 CD2 TYR A 84 11.278 1.281 3.540 1.00 0.00 C ATOM 1308 CE1 TYR A 84 11.789 0.770 6.202 1.00 0.00 C ATOM 1309 CE2 TYR A 84 10.328 1.591 4.494 1.00 0.00 C ATOM 1310 CZ TYR A 84 10.588 1.333 5.824 1.00 0.00 C ATOM 1311 OH TYR A 84 9.645 1.640 6.778 1.00 0.00 O ATOM 0 H TYR A 84 15.645 -0.105 1.676 1.00 0.00 H new ATOM 0 HA TYR A 84 14.313 2.267 2.189 1.00 0.00 H new ATOM 0 HB2 TYR A 84 13.041 0.298 1.876 1.00 0.00 H new ATOM 0 HB3 TYR A 84 13.957 -0.601 3.070 1.00 0.00 H new ATOM 0 HD1 TYR A 84 13.673 0.026 5.541 1.00 0.00 H new ATOM 0 HD2 TYR A 84 11.071 1.484 2.500 1.00 0.00 H new ATOM 0 HE1 TYR A 84 11.990 0.569 7.244 1.00 0.00 H new ATOM 0 HE2 TYR A 84 9.387 2.033 4.200 1.00 0.00 H new ATOM 0 HH TYR A 84 8.971 2.238 6.392 1.00 0.00 H new ATOM 1321 N ASP A 85 15.679 0.966 4.909 1.00 0.00 N ATOM 1322 CA ASP A 85 16.116 1.280 6.264 1.00 0.00 C ATOM 1323 C ASP A 85 16.922 2.575 6.289 1.00 0.00 C ATOM 1324 O ASP A 85 16.745 3.413 7.175 1.00 0.00 O ATOM 1325 CB ASP A 85 16.953 0.133 6.832 1.00 0.00 C ATOM 1326 CG ASP A 85 16.853 0.036 8.342 1.00 0.00 C ATOM 1327 OD1 ASP A 85 15.894 -0.594 8.834 1.00 0.00 O ATOM 1328 OD2 ASP A 85 17.734 0.592 9.032 1.00 0.00 O ATOM 0 H ASP A 85 15.887 0.014 4.609 1.00 0.00 H new ATOM 0 HA ASP A 85 15.229 1.413 6.883 1.00 0.00 H new ATOM 0 HB2 ASP A 85 16.625 -0.807 6.388 1.00 0.00 H new ATOM 0 HB3 ASP A 85 17.996 0.273 6.548 1.00 0.00 H new ATOM 1333 N LEU A 86 17.808 2.733 5.312 1.00 0.00 N ATOM 1334 CA LEU A 86 18.643 3.926 5.221 1.00 0.00 C ATOM 1335 C LEU A 86 17.811 5.145 4.834 1.00 0.00 C ATOM 1336 O LEU A 86 18.014 6.239 5.360 1.00 0.00 O ATOM 1337 CB LEU A 86 19.762 3.713 4.200 1.00 0.00 C ATOM 1338 CG LEU A 86 20.757 2.597 4.518 1.00 0.00 C ATOM 1339 CD1 LEU A 86 21.463 2.135 3.253 1.00 0.00 C ATOM 1340 CD2 LEU A 86 21.768 3.062 5.556 1.00 0.00 C ATOM 0 H LEU A 86 17.967 2.050 4.571 1.00 0.00 H new ATOM 0 HA LEU A 86 19.084 4.106 6.201 1.00 0.00 H new ATOM 0 HB2 LEU A 86 19.308 3.502 3.232 1.00 0.00 H new ATOM 0 HB3 LEU A 86 20.315 4.647 4.097 1.00 0.00 H new ATOM 0 HG LEU A 86 20.206 1.752 4.931 1.00 0.00 H new ATOM 0 HD11 LEU A 86 22.167 1.340 3.499 1.00 0.00 H new ATOM 0 HD12 LEU A 86 20.727 1.760 2.542 1.00 0.00 H new ATOM 0 HD13 LEU A 86 22.001 2.973 2.810 1.00 0.00 H new ATOM 0 HD21 LEU A 86 22.468 2.254 5.770 1.00 0.00 H new ATOM 0 HD22 LEU A 86 22.314 3.923 5.172 1.00 0.00 H new ATOM 0 HD23 LEU A 86 21.247 3.342 6.471 1.00 0.00 H new ATOM 1352 N GLN A 87 16.873 4.946 3.913 1.00 0.00 N ATOM 1353 CA GLN A 87 16.009 6.029 3.458 1.00 0.00 C ATOM 1354 C GLN A 87 15.221 6.623 4.620 1.00 0.00 C ATOM 1355 O GLN A 87 15.079 7.841 4.730 1.00 0.00 O ATOM 1356 CB GLN A 87 15.049 5.525 2.379 1.00 0.00 C ATOM 1357 CG GLN A 87 15.600 5.647 0.968 1.00 0.00 C ATOM 1358 CD GLN A 87 15.289 6.988 0.334 1.00 0.00 C ATOM 1359 OE1 GLN A 87 16.189 7.782 0.059 1.00 0.00 O ATOM 1360 NE2 GLN A 87 14.008 7.248 0.097 1.00 0.00 N ATOM 0 H GLN A 87 16.692 4.046 3.468 1.00 0.00 H new ATOM 0 HA GLN A 87 16.641 6.810 3.036 1.00 0.00 H new ATOM 0 HB2 GLN A 87 14.809 4.480 2.577 1.00 0.00 H new ATOM 0 HB3 GLN A 87 14.116 6.084 2.445 1.00 0.00 H new ATOM 0 HG2 GLN A 87 16.680 5.502 0.990 1.00 0.00 H new ATOM 0 HG3 GLN A 87 15.184 4.852 0.350 1.00 0.00 H new ATOM 0 HE21 GLN A 87 13.295 6.561 0.341 1.00 0.00 H new ATOM 0 HE22 GLN A 87 13.738 8.135 -0.329 1.00 0.00 H new ATOM 1369 N ARG A 88 14.709 5.754 5.486 1.00 0.00 N ATOM 1370 CA ARG A 88 13.933 6.193 6.640 1.00 0.00 C ATOM 1371 C ARG A 88 14.850 6.678 7.759 1.00 0.00 C ATOM 1372 O ARG A 88 14.384 7.165 8.789 1.00 0.00 O ATOM 1373 CB ARG A 88 13.048 5.053 7.149 1.00 0.00 C ATOM 1374 CG ARG A 88 13.828 3.915 7.786 1.00 0.00 C ATOM 1375 CD ARG A 88 12.911 2.774 8.200 1.00 0.00 C ATOM 1376 NE ARG A 88 12.381 2.959 9.548 1.00 0.00 N ATOM 1377 CZ ARG A 88 11.297 3.677 9.819 1.00 0.00 C ATOM 1378 NH1 ARG A 88 10.632 4.274 8.840 1.00 0.00 N ATOM 1379 NH2 ARG A 88 10.877 3.799 11.072 1.00 0.00 N ATOM 0 H ARG A 88 14.818 4.743 5.410 1.00 0.00 H new ATOM 0 HA ARG A 88 13.300 7.023 6.327 1.00 0.00 H new ATOM 0 HB2 ARG A 88 12.341 5.450 7.878 1.00 0.00 H new ATOM 0 HB3 ARG A 88 12.462 4.660 6.318 1.00 0.00 H new ATOM 0 HG2 ARG A 88 14.575 3.546 7.083 1.00 0.00 H new ATOM 0 HG3 ARG A 88 14.367 4.285 8.658 1.00 0.00 H new ATOM 0 HD2 ARG A 88 12.085 2.698 7.493 1.00 0.00 H new ATOM 0 HD3 ARG A 88 13.459 1.833 8.152 1.00 0.00 H new ATOM 0 HE ARG A 88 12.870 2.512 10.324 1.00 0.00 H new ATOM 0 HH11 ARG A 88 10.952 4.183 7.876 1.00 0.00 H new ATOM 0 HH12 ARG A 88 9.800 4.825 9.051 1.00 0.00 H new ATOM 0 HH21 ARG A 88 11.387 3.341 11.828 1.00 0.00 H new ATOM 0 HH22 ARG A 88 10.044 4.351 11.279 1.00 0.00 H new