USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 577 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 54 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 57 GLN : amide:sc= -1.8 K(o=-1.8,f=-3.1!) USER MOD Set 2.1: A 48 CYS SG : rot 8:sc= -0.127 USER MOD Set 2.2: A 55 MET CE :methyl -115:sc= -1.36 (180deg=-2.13) USER MOD Set 3.1: A 28 SER OG : rot -150:sc= 0.877 USER MOD Set 3.2: A 51 GLN : amide:sc= 0.106 K(o=0.98,f=-2.8!) USER MOD Set 4.1: A 25 GLN : amide:sc= -4.28! C(o=-6.3!,f=-2!) USER MOD Set 4.2: A 88 GLN : amide:sc= -2.01 K(o=-6.3,f=-2) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.003) USER MOD Single : A 19 ASN : amide:sc= -1.34 K(o=-1.3,f=-6.2!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.01 K(o=-1,f=-0.14) USER MOD Single : A 35 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00684) USER MOD Single : A 37 HIS : no HD1:sc= -0.108 X(o=-0.11,f=-0.11) USER MOD Single : A 38 THR OG1 : rot -150:sc= -1.7! USER MOD Single : A 41 SER OG : rot -130:sc= -0.389 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl 175:sc= -1.28 (180deg=-1.49) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.243 USER MOD Single : A 65 GLN : amide:sc= -1.37! K(o=-1.4!,f=-0.42) USER MOD Single : A 68 ASN : amide:sc= -1.64! K(o=-1.6!,f=-0.039) USER MOD Single : A 70 THR OG1 : rot -98:sc= 1.28 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -4.64! C(o=-4.6!,f=-8.3!) USER MOD Single : A 78 MET CE :methyl -155:sc= -0.118 (180deg=-1.93) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0.53 K(o=0.53,f=-0.85) USER MOD ----------------------------------------------------------------- ATOM 242 N HIS A 17 -1.163 15.761 1.104 1.00 0.00 N ATOM 243 CA HIS A 17 -0.966 14.332 1.206 1.00 0.00 C ATOM 244 C HIS A 17 -2.284 13.634 1.457 1.00 0.00 C ATOM 245 O HIS A 17 -3.218 14.219 2.008 1.00 0.00 O ATOM 246 CB HIS A 17 0.058 13.990 2.311 1.00 0.00 C ATOM 247 CG HIS A 17 -0.379 14.341 3.706 1.00 0.00 C ATOM 248 ND1 HIS A 17 -0.299 15.615 4.222 1.00 0.00 N ATOM 249 CD2 HIS A 17 -0.891 13.569 4.698 1.00 0.00 C ATOM 250 CE1 HIS A 17 -0.738 15.613 5.462 1.00 0.00 C ATOM 251 NE2 HIS A 17 -1.105 14.388 5.776 1.00 0.00 N ATOM 0 HA HIS A 17 -0.563 13.975 0.258 1.00 0.00 H new ATOM 0 HB2 HIS A 17 0.272 12.922 2.270 1.00 0.00 H new ATOM 0 HB3 HIS A 17 0.991 14.511 2.096 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -1.092 12.509 4.647 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -0.789 16.473 6.114 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -1.487 14.096 6.676 1.00 0.00 H new ATOM 260 N ILE A 18 -2.369 12.386 1.063 1.00 0.00 N ATOM 261 CA ILE A 18 -3.586 11.620 1.226 1.00 0.00 C ATOM 262 C ILE A 18 -3.298 10.268 1.859 1.00 0.00 C ATOM 263 O ILE A 18 -2.141 9.869 2.025 1.00 0.00 O ATOM 264 CB ILE A 18 -4.323 11.407 -0.124 1.00 0.00 C ATOM 265 CG1 ILE A 18 -3.385 10.777 -1.160 1.00 0.00 C ATOM 266 CG2 ILE A 18 -4.890 12.725 -0.644 1.00 0.00 C ATOM 267 CD1 ILE A 18 -4.090 10.306 -2.416 1.00 0.00 C ATOM 0 H ILE A 18 -1.604 11.874 0.623 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.233 12.199 1.885 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.153 10.722 0.047 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.621 11.504 -1.434 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.871 9.931 -0.704 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -5.402 12.553 -1.591 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.596 13.129 0.082 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -4.078 13.436 -0.795 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.362 9.872 -3.101 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.835 9.554 -2.155 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.581 11.152 -2.897 1.00 0.00 H new ATOM 279 N ASN A 19 -4.348 9.571 2.225 1.00 0.00 N ATOM 280 CA ASN A 19 -4.235 8.251 2.813 1.00 0.00 C ATOM 281 C ASN A 19 -4.621 7.209 1.793 1.00 0.00 C ATOM 282 O ASN A 19 -5.585 7.381 1.064 1.00 0.00 O ATOM 283 CB ASN A 19 -5.151 8.140 4.045 1.00 0.00 C ATOM 284 CG ASN A 19 -5.209 6.730 4.628 1.00 0.00 C ATOM 285 OD1 ASN A 19 -6.000 5.898 4.190 1.00 0.00 O ATOM 286 ND2 ASN A 19 -4.397 6.466 5.631 1.00 0.00 N ATOM 0 H ASN A 19 -5.308 9.901 2.124 1.00 0.00 H new ATOM 0 HA ASN A 19 -3.204 8.087 3.125 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.801 8.829 4.813 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -6.158 8.454 3.770 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -4.412 5.546 6.071 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -3.753 7.182 5.968 1.00 0.00 H new ATOM 293 N LEU A 20 -3.862 6.150 1.710 1.00 0.00 N ATOM 294 CA LEU A 20 -4.181 5.065 0.806 1.00 0.00 C ATOM 295 C LEU A 20 -4.184 3.763 1.556 1.00 0.00 C ATOM 296 O LEU A 20 -3.308 3.508 2.385 1.00 0.00 O ATOM 297 CB LEU A 20 -3.198 4.986 -0.381 1.00 0.00 C ATOM 298 CG LEU A 20 -3.304 6.089 -1.448 1.00 0.00 C ATOM 299 CD1 LEU A 20 -4.748 6.318 -1.862 1.00 0.00 C ATOM 300 CD2 LEU A 20 -2.665 7.374 -0.967 1.00 0.00 C ATOM 0 H LEU A 20 -3.013 6.010 2.258 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.172 5.260 0.396 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.184 4.996 0.018 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.337 4.024 -0.873 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.757 5.752 -2.329 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.790 7.103 -2.617 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.159 5.396 -2.274 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.332 6.619 -0.993 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.754 8.137 -1.741 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.169 7.714 -0.062 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.611 7.198 -0.751 1.00 0.00 H new ATOM 312 N LYS A 21 -5.174 2.947 1.301 1.00 0.00 N ATOM 313 CA LYS A 21 -5.272 1.665 1.941 1.00 0.00 C ATOM 314 C LYS A 21 -5.300 0.579 0.898 1.00 0.00 C ATOM 315 O LYS A 21 -5.824 0.763 -0.183 1.00 0.00 O ATOM 316 CB LYS A 21 -6.510 1.600 2.824 1.00 0.00 C ATOM 317 CG LYS A 21 -6.508 2.639 3.930 1.00 0.00 C ATOM 318 CD LYS A 21 -7.701 2.478 4.862 1.00 0.00 C ATOM 319 CE LYS A 21 -9.008 2.755 4.143 1.00 0.00 C ATOM 320 NZ LYS A 21 -10.176 2.617 5.042 1.00 0.00 N ATOM 0 H LYS A 21 -5.930 3.153 0.648 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.400 1.518 2.578 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.397 1.738 2.206 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.581 0.607 3.267 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.585 2.556 4.504 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.522 3.637 3.491 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.714 1.466 5.267 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.598 3.158 5.708 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.987 3.763 3.728 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.113 2.067 3.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.048 2.815 4.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.212 1.648 5.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.090 3.291 5.829 1.00 0.00 H new ATOM 334 N VAL A 22 -4.740 -0.549 1.219 1.00 0.00 N ATOM 335 CA VAL A 22 -4.644 -1.645 0.282 1.00 0.00 C ATOM 336 C VAL A 22 -5.266 -2.910 0.863 1.00 0.00 C ATOM 337 O VAL A 22 -4.983 -3.282 1.993 1.00 0.00 O ATOM 338 CB VAL A 22 -3.166 -1.895 -0.098 1.00 0.00 C ATOM 339 CG1 VAL A 22 -2.319 -2.042 1.129 1.00 0.00 C ATOM 340 CG2 VAL A 22 -3.032 -3.098 -0.991 1.00 0.00 C ATOM 0 H VAL A 22 -4.335 -0.742 2.135 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.197 -1.377 -0.618 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.811 -1.027 -0.653 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.283 -2.217 0.837 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.379 -1.131 1.724 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.677 -2.885 1.719 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.982 -3.250 -1.242 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.412 -3.979 -0.474 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.604 -2.938 -1.905 1.00 0.00 H new ATOM 350 N ALA A 23 -6.118 -3.568 0.088 1.00 0.00 N ATOM 351 CA ALA A 23 -6.795 -4.775 0.542 1.00 0.00 C ATOM 352 C ALA A 23 -6.302 -5.996 -0.232 1.00 0.00 C ATOM 353 O ALA A 23 -6.217 -5.980 -1.473 1.00 0.00 O ATOM 354 CB ALA A 23 -8.300 -4.625 0.390 1.00 0.00 C ATOM 0 H ALA A 23 -6.357 -3.284 -0.862 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.562 -4.922 1.597 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.793 -5.535 0.733 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.643 -3.779 0.986 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.545 -4.453 -0.658 1.00 0.00 H new ATOM 360 N GLY A 24 -5.976 -7.050 0.489 1.00 0.00 N ATOM 361 CA GLY A 24 -5.481 -8.249 -0.125 1.00 0.00 C ATOM 362 C GLY A 24 -6.524 -9.337 -0.204 1.00 0.00 C ATOM 363 O GLY A 24 -7.621 -9.213 0.346 1.00 0.00 O ATOM 0 H GLY A 24 -6.048 -7.093 1.506 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.126 -8.018 -1.129 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.623 -8.614 0.440 1.00 0.00 H new ATOM 367 N GLN A 25 -6.170 -10.423 -0.866 1.00 0.00 N ATOM 368 CA GLN A 25 -7.069 -11.546 -1.084 1.00 0.00 C ATOM 369 C GLN A 25 -7.392 -12.239 0.226 1.00 0.00 C ATOM 370 O GLN A 25 -8.480 -12.774 0.418 1.00 0.00 O ATOM 371 CB GLN A 25 -6.430 -12.559 -2.038 1.00 0.00 C ATOM 372 CG GLN A 25 -5.762 -11.952 -3.268 1.00 0.00 C ATOM 373 CD GLN A 25 -4.335 -11.481 -3.011 1.00 0.00 C ATOM 374 OE1 GLN A 25 -3.390 -12.262 -3.073 1.00 0.00 O ATOM 375 NE2 GLN A 25 -4.166 -10.194 -2.786 1.00 0.00 N ATOM 0 H GLN A 25 -5.243 -10.554 -1.272 1.00 0.00 H new ATOM 0 HA GLN A 25 -7.989 -11.158 -1.521 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -5.687 -13.136 -1.487 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -7.197 -13.259 -2.368 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -5.754 -12.690 -4.070 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -6.358 -11.109 -3.617 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.974 -9.574 -2.741 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.227 -9.818 -2.657 1.00 0.00 H new ATOM 384 N ASP A 26 -6.440 -12.213 1.134 1.00 0.00 N ATOM 385 CA ASP A 26 -6.579 -12.865 2.429 1.00 0.00 C ATOM 386 C ASP A 26 -7.454 -12.040 3.364 1.00 0.00 C ATOM 387 O ASP A 26 -7.860 -12.503 4.429 1.00 0.00 O ATOM 388 CB ASP A 26 -5.204 -13.072 3.062 1.00 0.00 C ATOM 389 CG ASP A 26 -4.607 -11.782 3.576 1.00 0.00 C ATOM 390 OD1 ASP A 26 -4.398 -10.852 2.760 1.00 0.00 O ATOM 391 OD2 ASP A 26 -4.343 -11.690 4.789 1.00 0.00 O ATOM 0 H ASP A 26 -5.546 -11.741 1.000 1.00 0.00 H new ATOM 0 HA ASP A 26 -7.056 -13.832 2.271 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -5.289 -13.783 3.884 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -4.531 -13.513 2.327 1.00 0.00 H new ATOM 396 N GLY A 27 -7.753 -10.813 2.963 1.00 0.00 N ATOM 397 CA GLY A 27 -8.570 -9.954 3.785 1.00 0.00 C ATOM 398 C GLY A 27 -7.753 -8.976 4.591 1.00 0.00 C ATOM 399 O GLY A 27 -8.284 -8.268 5.446 1.00 0.00 O ATOM 0 H GLY A 27 -7.443 -10.400 2.083 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.266 -9.405 3.151 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.169 -10.565 4.460 1.00 0.00 H new ATOM 403 N SER A 28 -6.454 -8.927 4.335 1.00 0.00 N ATOM 404 CA SER A 28 -5.584 -8.015 5.039 1.00 0.00 C ATOM 405 C SER A 28 -5.631 -6.641 4.384 1.00 0.00 C ATOM 406 O SER A 28 -5.933 -6.518 3.194 1.00 0.00 O ATOM 407 CB SER A 28 -4.151 -8.550 5.031 1.00 0.00 C ATOM 408 OG SER A 28 -3.301 -7.796 5.882 1.00 0.00 O ATOM 0 H SER A 28 -5.985 -9.511 3.643 1.00 0.00 H new ATOM 0 HA SER A 28 -5.923 -7.926 6.071 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.151 -9.593 5.349 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.760 -8.527 4.014 1.00 0.00 H new ATOM 0 HG SER A 28 -2.385 -7.819 5.533 1.00 0.00 H new ATOM 414 N VAL A 29 -5.345 -5.610 5.152 1.00 0.00 N ATOM 415 CA VAL A 29 -5.347 -4.258 4.643 1.00 0.00 C ATOM 416 C VAL A 29 -4.291 -3.412 5.335 1.00 0.00 C ATOM 417 O VAL A 29 -4.164 -3.424 6.561 1.00 0.00 O ATOM 418 CB VAL A 29 -6.752 -3.595 4.766 1.00 0.00 C ATOM 419 CG1 VAL A 29 -7.342 -3.822 6.140 1.00 0.00 C ATOM 420 CG2 VAL A 29 -6.695 -2.102 4.444 1.00 0.00 C ATOM 0 H VAL A 29 -5.106 -5.687 6.141 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.101 -4.313 3.582 1.00 0.00 H new ATOM 0 HB VAL A 29 -7.403 -4.071 4.032 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.322 -3.349 6.198 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.445 -4.892 6.320 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.685 -3.389 6.894 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.692 -1.671 4.539 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -6.017 -1.606 5.138 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -6.336 -1.963 3.424 1.00 0.00 H new ATOM 430 N VAL A 30 -3.518 -2.679 4.548 1.00 0.00 N ATOM 431 CA VAL A 30 -2.475 -1.832 5.085 1.00 0.00 C ATOM 432 C VAL A 30 -2.779 -0.374 4.754 1.00 0.00 C ATOM 433 O VAL A 30 -3.191 -0.059 3.640 1.00 0.00 O ATOM 434 CB VAL A 30 -1.085 -2.201 4.530 1.00 0.00 C ATOM 435 CG1 VAL A 30 0.004 -1.556 5.367 1.00 0.00 C ATOM 436 CG2 VAL A 30 -0.905 -3.708 4.475 1.00 0.00 C ATOM 0 H VAL A 30 -3.598 -2.657 3.531 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.454 -1.981 6.165 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.009 -1.820 3.512 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.980 -1.825 4.964 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.112 -0.472 5.343 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.073 -1.906 6.396 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.084 -3.942 4.080 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.003 -4.123 5.478 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.667 -4.142 3.827 1.00 0.00 H new ATOM 446 N GLN A 31 -2.625 0.507 5.727 1.00 0.00 N ATOM 447 CA GLN A 31 -2.897 1.924 5.521 1.00 0.00 C ATOM 448 C GLN A 31 -1.595 2.721 5.419 1.00 0.00 C ATOM 449 O GLN A 31 -0.619 2.425 6.111 1.00 0.00 O ATOM 450 CB GLN A 31 -3.762 2.490 6.663 1.00 0.00 C ATOM 451 CG GLN A 31 -5.051 1.714 6.960 1.00 0.00 C ATOM 452 CD GLN A 31 -4.860 0.560 7.937 1.00 0.00 C ATOM 453 OE1 GLN A 31 -4.920 0.745 9.150 1.00 0.00 O ATOM 454 NE2 GLN A 31 -4.676 -0.633 7.417 1.00 0.00 N ATOM 0 H GLN A 31 -2.313 0.269 6.669 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.444 2.020 4.583 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.160 2.521 7.571 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.026 3.519 6.420 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.794 2.402 7.365 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.453 1.324 6.025 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -4.632 -0.747 6.404 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -4.578 -1.445 8.026 1.00 0.00 H new ATOM 463 N PHE A 32 -1.570 3.731 4.547 1.00 0.00 N ATOM 464 CA PHE A 32 -0.372 4.558 4.358 1.00 0.00 C ATOM 465 C PHE A 32 -0.742 6.034 4.228 1.00 0.00 C ATOM 466 O PHE A 32 -1.861 6.378 3.848 1.00 0.00 O ATOM 467 CB PHE A 32 0.381 4.144 3.081 1.00 0.00 C ATOM 468 CG PHE A 32 0.550 2.668 2.901 1.00 0.00 C ATOM 469 CD1 PHE A 32 -0.471 1.915 2.352 1.00 0.00 C ATOM 470 CD2 PHE A 32 1.727 2.034 3.261 1.00 0.00 C ATOM 471 CE1 PHE A 32 -0.327 0.569 2.166 1.00 0.00 C ATOM 472 CE2 PHE A 32 1.876 0.674 3.078 1.00 0.00 C ATOM 473 CZ PHE A 32 0.843 -0.058 2.527 1.00 0.00 C ATOM 0 H PHE A 32 -2.362 3.997 3.961 1.00 0.00 H new ATOM 0 HA PHE A 32 0.261 4.409 5.233 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.151 4.542 2.217 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.367 4.610 3.090 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.394 2.397 2.066 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.535 2.608 3.689 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.134 -0.004 1.734 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.796 0.185 3.364 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.954 -1.122 2.380 1.00 0.00 H new ATOM 509 N ILE A 34 0.768 9.194 2.236 1.00 0.00 N ATOM 510 CA ILE A 34 1.754 9.654 1.265 1.00 0.00 C ATOM 511 C ILE A 34 1.284 10.913 0.554 1.00 0.00 C ATOM 512 O ILE A 34 0.108 11.275 0.610 1.00 0.00 O ATOM 513 CB ILE A 34 2.068 8.566 0.199 1.00 0.00 C ATOM 514 CG1 ILE A 34 0.837 8.292 -0.673 1.00 0.00 C ATOM 515 CG2 ILE A 34 2.539 7.280 0.872 1.00 0.00 C ATOM 516 CD1 ILE A 34 1.097 7.326 -1.814 1.00 0.00 C ATOM 0 HA ILE A 34 2.661 9.870 1.829 1.00 0.00 H new ATOM 0 HB ILE A 34 2.868 8.936 -0.442 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.041 7.892 -0.045 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.477 9.235 -1.083 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.754 6.529 0.112 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.441 7.481 1.449 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.758 6.910 1.536 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.180 7.182 -2.385 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.871 7.732 -2.466 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.428 6.368 -1.412 1.00 0.00 H new ATOM 528 N LYS A 35 2.204 11.584 -0.115 1.00 0.00 N ATOM 529 CA LYS A 35 1.891 12.780 -0.867 1.00 0.00 C ATOM 530 C LYS A 35 1.183 12.412 -2.159 1.00 0.00 C ATOM 531 O LYS A 35 1.370 11.321 -2.692 1.00 0.00 O ATOM 532 CB LYS A 35 3.173 13.552 -1.181 1.00 0.00 C ATOM 533 CG LYS A 35 3.855 14.156 0.038 1.00 0.00 C ATOM 534 CD LYS A 35 5.375 14.164 -0.113 1.00 0.00 C ATOM 535 CE LYS A 35 5.835 14.884 -1.379 1.00 0.00 C ATOM 536 NZ LYS A 35 5.447 16.311 -1.386 1.00 0.00 N ATOM 0 H LYS A 35 3.187 11.314 -0.151 1.00 0.00 H new ATOM 0 HA LYS A 35 1.234 13.410 -0.268 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.873 12.882 -1.680 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.939 14.351 -1.885 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.498 15.175 0.187 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.580 13.589 0.927 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.820 14.646 0.757 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.740 13.137 -0.130 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.919 14.804 -1.466 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.408 14.389 -2.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.810 16.765 -2.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.410 16.389 -1.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.848 16.784 -0.551 1.00 0.00 H new ATOM 550 N ARG A 36 0.385 13.328 -2.673 1.00 0.00 N ATOM 551 CA ARG A 36 -0.351 13.104 -3.912 1.00 0.00 C ATOM 552 C ARG A 36 0.608 13.007 -5.092 1.00 0.00 C ATOM 553 O ARG A 36 0.300 12.416 -6.121 1.00 0.00 O ATOM 554 CB ARG A 36 -1.310 14.259 -4.151 1.00 0.00 C ATOM 555 CG ARG A 36 -0.602 15.600 -4.258 1.00 0.00 C ATOM 556 CD ARG A 36 -1.490 16.643 -4.867 1.00 0.00 C ATOM 557 NE ARG A 36 -0.747 17.863 -5.197 1.00 0.00 N ATOM 558 CZ ARG A 36 -1.236 19.103 -5.103 1.00 0.00 C ATOM 559 NH1 ARG A 36 -2.492 19.304 -4.716 1.00 0.00 N ATOM 560 NH2 ARG A 36 -0.468 20.142 -5.417 1.00 0.00 N ATOM 0 H ARG A 36 0.226 14.243 -2.251 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.904 12.169 -3.822 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.871 14.076 -5.067 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.033 14.299 -3.337 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.284 15.925 -3.267 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.299 15.490 -4.862 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.954 16.244 -5.769 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.296 16.884 -4.174 1.00 0.00 H new ATOM 0 HE ARG A 36 0.214 17.758 -5.522 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.089 18.509 -4.489 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.859 20.253 -4.646 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.491 19.991 -5.729 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.838 21.090 -5.346 1.00 0.00 H new ATOM 574 N HIS A 37 1.784 13.571 -4.917 1.00 0.00 N ATOM 575 CA HIS A 37 2.780 13.641 -5.965 1.00 0.00 C ATOM 576 C HIS A 37 3.864 12.605 -5.701 1.00 0.00 C ATOM 577 O HIS A 37 4.851 12.488 -6.428 1.00 0.00 O ATOM 578 CB HIS A 37 3.345 15.050 -5.968 1.00 0.00 C ATOM 579 CG HIS A 37 4.362 15.346 -7.023 1.00 0.00 C ATOM 580 ND1 HIS A 37 5.539 16.007 -6.755 1.00 0.00 N ATOM 581 CD2 HIS A 37 4.368 15.091 -8.352 1.00 0.00 C ATOM 582 CE1 HIS A 37 6.228 16.146 -7.869 1.00 0.00 C ATOM 583 NE2 HIS A 37 5.538 15.598 -8.856 1.00 0.00 N ATOM 0 H HIS A 37 2.078 13.997 -4.038 1.00 0.00 H new ATOM 0 HA HIS A 37 2.348 13.424 -6.942 1.00 0.00 H new ATOM 0 HB2 HIS A 37 2.518 15.751 -6.081 1.00 0.00 H new ATOM 0 HB3 HIS A 37 3.795 15.242 -4.994 1.00 0.00 H new ATOM 0 HD2 HIS A 37 3.596 14.583 -8.911 1.00 0.00 H new ATOM 0 HE1 HIS A 37 7.191 16.625 -7.961 1.00 0.00 H new ATOM 0 HE2 HIS A 37 5.829 15.559 -9.833 1.00 0.00 H new ATOM 592 N THR A 38 3.665 11.857 -4.654 1.00 0.00 N ATOM 593 CA THR A 38 4.556 10.808 -4.260 1.00 0.00 C ATOM 594 C THR A 38 4.138 9.496 -4.925 1.00 0.00 C ATOM 595 O THR A 38 2.955 9.165 -4.951 1.00 0.00 O ATOM 596 CB THR A 38 4.538 10.679 -2.723 1.00 0.00 C ATOM 597 OG1 THR A 38 5.464 11.605 -2.143 1.00 0.00 O ATOM 598 CG2 THR A 38 4.840 9.268 -2.252 1.00 0.00 C ATOM 0 H THR A 38 2.859 11.963 -4.037 1.00 0.00 H new ATOM 0 HA THR A 38 5.571 11.042 -4.580 1.00 0.00 H new ATOM 0 HB THR A 38 3.527 10.914 -2.391 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.809 11.239 -1.302 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.814 9.235 -1.163 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.094 8.583 -2.654 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.829 8.972 -2.601 1.00 0.00 H new ATOM 606 N PRO A 39 5.099 8.744 -5.485 1.00 0.00 N ATOM 607 CA PRO A 39 4.808 7.486 -6.168 1.00 0.00 C ATOM 608 C PRO A 39 4.175 6.453 -5.235 1.00 0.00 C ATOM 609 O PRO A 39 4.719 6.127 -4.174 1.00 0.00 O ATOM 610 CB PRO A 39 6.181 7.005 -6.663 1.00 0.00 C ATOM 611 CG PRO A 39 7.177 7.746 -5.839 1.00 0.00 C ATOM 612 CD PRO A 39 6.539 9.056 -5.484 1.00 0.00 C ATOM 0 HA PRO A 39 4.085 7.622 -6.973 1.00 0.00 H new ATOM 0 HB2 PRO A 39 6.289 5.928 -6.537 1.00 0.00 H new ATOM 0 HB3 PRO A 39 6.313 7.217 -7.724 1.00 0.00 H new ATOM 0 HG2 PRO A 39 7.435 7.183 -4.942 1.00 0.00 H new ATOM 0 HG3 PRO A 39 8.102 7.902 -6.394 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.872 9.415 -4.510 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.783 9.832 -6.210 1.00 0.00 H new ATOM 620 N LEU A 40 3.019 5.935 -5.633 1.00 0.00 N ATOM 621 CA LEU A 40 2.294 4.944 -4.840 1.00 0.00 C ATOM 622 C LEU A 40 3.061 3.626 -4.735 1.00 0.00 C ATOM 623 O LEU A 40 2.780 2.793 -3.872 1.00 0.00 O ATOM 624 CB LEU A 40 0.866 4.726 -5.386 1.00 0.00 C ATOM 625 CG LEU A 40 0.711 4.644 -6.915 1.00 0.00 C ATOM 626 CD1 LEU A 40 1.404 3.418 -7.481 1.00 0.00 C ATOM 627 CD2 LEU A 40 -0.758 4.647 -7.295 1.00 0.00 C ATOM 0 H LEU A 40 2.559 6.186 -6.508 1.00 0.00 H new ATOM 0 HA LEU A 40 2.205 5.342 -3.829 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.475 3.804 -4.955 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.236 5.539 -5.024 1.00 0.00 H new ATOM 0 HG LEU A 40 1.191 5.522 -7.347 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.273 3.393 -8.563 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.467 3.459 -7.245 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.970 2.520 -7.042 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.853 4.589 -8.379 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.253 3.789 -6.840 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.224 5.566 -6.939 1.00 0.00 H new ATOM 639 N SER A 41 4.031 3.438 -5.623 1.00 0.00 N ATOM 640 CA SER A 41 4.854 2.238 -5.643 1.00 0.00 C ATOM 641 C SER A 41 5.527 2.004 -4.300 1.00 0.00 C ATOM 642 O SER A 41 5.806 0.866 -3.923 1.00 0.00 O ATOM 643 CB SER A 41 5.898 2.356 -6.734 1.00 0.00 C ATOM 644 OG SER A 41 6.483 3.645 -6.727 1.00 0.00 O ATOM 0 H SER A 41 4.268 4.114 -6.349 1.00 0.00 H new ATOM 0 HA SER A 41 4.208 1.384 -5.845 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.670 1.600 -6.590 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.441 2.164 -7.705 1.00 0.00 H new ATOM 0 HG SER A 41 6.464 4.018 -7.633 1.00 0.00 H new ATOM 650 N LYS A 42 5.774 3.085 -3.571 1.00 0.00 N ATOM 651 CA LYS A 42 6.397 3.000 -2.268 1.00 0.00 C ATOM 652 C LYS A 42 5.525 2.174 -1.327 1.00 0.00 C ATOM 653 O LYS A 42 6.012 1.288 -0.628 1.00 0.00 O ATOM 654 CB LYS A 42 6.638 4.403 -1.697 1.00 0.00 C ATOM 655 CG LYS A 42 7.480 5.291 -2.608 1.00 0.00 C ATOM 656 CD LYS A 42 7.706 6.677 -2.014 1.00 0.00 C ATOM 657 CE LYS A 42 8.578 6.620 -0.770 1.00 0.00 C ATOM 658 NZ LYS A 42 8.955 7.974 -0.297 1.00 0.00 N ATOM 0 H LYS A 42 5.548 4.034 -3.868 1.00 0.00 H new ATOM 0 HA LYS A 42 7.363 2.506 -2.369 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.677 4.885 -1.519 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.133 4.314 -0.730 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.443 4.814 -2.788 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.986 5.388 -3.575 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.176 7.320 -2.758 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.745 7.127 -1.765 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.046 6.094 0.022 1.00 0.00 H new ATOM 0 HE3 LYS A 42 9.480 6.046 -0.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.549 7.892 0.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.485 8.468 -1.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.096 8.513 -0.068 1.00 0.00 H new ATOM 672 N LEU A 43 4.220 2.448 -1.333 1.00 0.00 N ATOM 673 CA LEU A 43 3.288 1.706 -0.493 1.00 0.00 C ATOM 674 C LEU A 43 3.084 0.305 -1.045 1.00 0.00 C ATOM 675 O LEU A 43 2.957 -0.659 -0.294 1.00 0.00 O ATOM 676 CB LEU A 43 1.927 2.451 -0.352 1.00 0.00 C ATOM 677 CG LEU A 43 0.901 2.289 -1.496 1.00 0.00 C ATOM 678 CD1 LEU A 43 0.087 1.001 -1.345 1.00 0.00 C ATOM 679 CD2 LEU A 43 -0.032 3.479 -1.545 1.00 0.00 C ATOM 0 H LEU A 43 3.790 3.173 -1.907 1.00 0.00 H new ATOM 0 HA LEU A 43 3.721 1.629 0.504 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.455 2.117 0.572 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.136 3.514 -0.237 1.00 0.00 H new ATOM 0 HG LEU A 43 1.461 2.231 -2.429 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.624 0.921 -2.167 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.758 0.142 -1.361 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.454 1.021 -0.399 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.747 3.347 -2.357 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.567 3.561 -0.599 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.546 4.388 -1.715 1.00 0.00 H new ATOM 691 N MET A 44 3.064 0.187 -2.372 1.00 0.00 N ATOM 692 CA MET A 44 2.840 -1.100 -3.015 1.00 0.00 C ATOM 693 C MET A 44 3.960 -2.070 -2.687 1.00 0.00 C ATOM 694 O MET A 44 3.716 -3.204 -2.273 1.00 0.00 O ATOM 695 CB MET A 44 2.690 -0.950 -4.538 1.00 0.00 C ATOM 696 CG MET A 44 1.552 -0.034 -4.963 1.00 0.00 C ATOM 697 SD MET A 44 1.061 -0.274 -6.687 1.00 0.00 S ATOM 698 CE MET A 44 2.605 -0.007 -7.550 1.00 0.00 C ATOM 0 H MET A 44 3.200 0.965 -3.017 1.00 0.00 H new ATOM 0 HA MET A 44 1.906 -1.503 -2.624 1.00 0.00 H new ATOM 0 HB2 MET A 44 3.624 -0.566 -4.948 1.00 0.00 H new ATOM 0 HB3 MET A 44 2.531 -1.936 -4.975 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.691 -0.209 -4.318 1.00 0.00 H new ATOM 0 HG3 MET A 44 1.854 1.003 -4.818 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.468 -0.211 -8.612 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.922 1.027 -7.417 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.367 -0.675 -7.148 1.00 0.00 H new ATOM 708 N LYS A 45 5.196 -1.628 -2.857 1.00 0.00 N ATOM 709 CA LYS A 45 6.336 -2.462 -2.552 1.00 0.00 C ATOM 710 C LYS A 45 6.417 -2.743 -1.064 1.00 0.00 C ATOM 711 O LYS A 45 6.757 -3.845 -0.654 1.00 0.00 O ATOM 712 CB LYS A 45 7.622 -1.833 -3.065 1.00 0.00 C ATOM 713 CG LYS A 45 7.680 -1.801 -4.575 1.00 0.00 C ATOM 714 CD LYS A 45 9.043 -1.395 -5.084 1.00 0.00 C ATOM 715 CE LYS A 45 9.118 -1.547 -6.592 1.00 0.00 C ATOM 716 NZ LYS A 45 10.400 -1.029 -7.141 1.00 0.00 N ATOM 0 H LYS A 45 5.430 -0.698 -3.204 1.00 0.00 H new ATOM 0 HA LYS A 45 6.206 -3.415 -3.064 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.707 -0.817 -2.678 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.476 -2.392 -2.682 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.426 -2.785 -4.968 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.931 -1.104 -4.951 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.247 -0.361 -4.807 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.811 -2.009 -4.613 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.009 -2.599 -6.856 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.285 -1.015 -7.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.410 -1.152 -8.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.493 -0.019 -6.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.194 -1.554 -6.722 1.00 0.00 H new ATOM 730 N ALA A 46 6.054 -1.760 -0.248 1.00 0.00 N ATOM 731 CA ALA A 46 6.068 -1.935 1.195 1.00 0.00 C ATOM 732 C ALA A 46 5.053 -2.992 1.600 1.00 0.00 C ATOM 733 O ALA A 46 5.296 -3.795 2.500 1.00 0.00 O ATOM 734 CB ALA A 46 5.780 -0.618 1.899 1.00 0.00 C ATOM 0 H ALA A 46 5.748 -0.839 -0.561 1.00 0.00 H new ATOM 0 HA ALA A 46 7.061 -2.269 1.497 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.795 -0.771 2.978 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.540 0.114 1.626 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.798 -0.252 1.598 1.00 0.00 H new ATOM 740 N TYR A 47 3.913 -3.004 0.913 1.00 0.00 N ATOM 741 CA TYR A 47 2.865 -3.976 1.152 1.00 0.00 C ATOM 742 C TYR A 47 3.384 -5.388 0.952 1.00 0.00 C ATOM 743 O TYR A 47 3.306 -6.215 1.848 1.00 0.00 O ATOM 744 CB TYR A 47 1.677 -3.718 0.212 1.00 0.00 C ATOM 745 CG TYR A 47 0.582 -4.773 0.281 1.00 0.00 C ATOM 746 CD1 TYR A 47 -0.466 -4.649 1.171 1.00 0.00 C ATOM 747 CD2 TYR A 47 0.602 -5.886 -0.555 1.00 0.00 C ATOM 748 CE1 TYR A 47 -1.469 -5.597 1.237 1.00 0.00 C ATOM 749 CE2 TYR A 47 -0.394 -6.840 -0.500 1.00 0.00 C ATOM 750 CZ TYR A 47 -1.429 -6.693 0.399 1.00 0.00 C ATOM 751 OH TYR A 47 -2.420 -7.647 0.464 1.00 0.00 O ATOM 0 H TYR A 47 3.696 -2.335 0.174 1.00 0.00 H new ATOM 0 HA TYR A 47 2.533 -3.872 2.185 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.244 -2.746 0.451 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.045 -3.660 -0.812 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.503 -3.793 1.829 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.412 -6.005 -1.260 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.280 -5.481 1.941 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.363 -7.696 -1.157 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.241 -8.350 -0.194 1.00 0.00 H new ATOM 761 N CYS A 48 3.943 -5.665 -0.215 1.00 0.00 N ATOM 762 CA CYS A 48 4.410 -7.001 -0.521 1.00 0.00 C ATOM 763 C CYS A 48 5.565 -7.409 0.393 1.00 0.00 C ATOM 764 O CYS A 48 5.662 -8.562 0.806 1.00 0.00 O ATOM 765 CB CYS A 48 4.796 -7.124 -2.003 1.00 0.00 C ATOM 766 SG CYS A 48 6.044 -5.949 -2.576 1.00 0.00 S ATOM 0 H CYS A 48 4.083 -4.983 -0.961 1.00 0.00 H new ATOM 0 HA CYS A 48 3.588 -7.692 -0.335 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.162 -8.135 -2.183 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.898 -6.998 -2.607 1.00 0.00 H new ATOM 0 HG CYS A 48 6.519 -5.291 -1.560 1.00 0.00 H new ATOM 772 N GLU A 49 6.416 -6.455 0.744 1.00 0.00 N ATOM 773 CA GLU A 49 7.549 -6.727 1.617 1.00 0.00 C ATOM 774 C GLU A 49 7.092 -7.090 3.034 1.00 0.00 C ATOM 775 O GLU A 49 7.632 -8.004 3.655 1.00 0.00 O ATOM 776 CB GLU A 49 8.497 -5.528 1.654 1.00 0.00 C ATOM 777 CG GLU A 49 9.181 -5.253 0.327 1.00 0.00 C ATOM 778 CD GLU A 49 10.091 -4.047 0.380 1.00 0.00 C ATOM 779 OE1 GLU A 49 9.623 -2.960 0.770 1.00 0.00 O ATOM 780 OE2 GLU A 49 11.282 -4.176 0.029 1.00 0.00 O ATOM 0 H GLU A 49 6.343 -5.485 0.437 1.00 0.00 H new ATOM 0 HA GLU A 49 8.083 -7.585 1.209 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.938 -4.642 1.955 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.257 -5.700 2.416 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.761 -6.128 0.033 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.424 -5.099 -0.442 1.00 0.00 H new ATOM 787 N ARG A 50 6.079 -6.388 3.541 1.00 0.00 N ATOM 788 CA ARG A 50 5.590 -6.641 4.896 1.00 0.00 C ATOM 789 C ARG A 50 4.628 -7.836 4.932 1.00 0.00 C ATOM 790 O ARG A 50 4.566 -8.564 5.913 1.00 0.00 O ATOM 791 CB ARG A 50 4.906 -5.384 5.482 1.00 0.00 C ATOM 792 CG ARG A 50 3.596 -5.005 4.794 1.00 0.00 C ATOM 793 CD ARG A 50 2.927 -3.801 5.448 1.00 0.00 C ATOM 794 NE ARG A 50 2.567 -4.055 6.850 1.00 0.00 N ATOM 795 CZ ARG A 50 2.346 -3.099 7.765 1.00 0.00 C ATOM 796 NH1 ARG A 50 2.555 -1.819 7.469 1.00 0.00 N ATOM 797 NH2 ARG A 50 1.929 -3.428 8.977 1.00 0.00 N ATOM 0 H ARG A 50 5.586 -5.648 3.041 1.00 0.00 H new ATOM 0 HA ARG A 50 6.455 -6.885 5.513 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.712 -5.551 6.542 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.596 -4.543 5.413 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.790 -4.785 3.744 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.915 -5.855 4.821 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.598 -2.944 5.397 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.030 -3.538 4.887 1.00 0.00 H new ATOM 0 HE ARG A 50 2.479 -5.026 7.148 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.886 -1.558 6.540 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.384 -1.099 8.171 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.776 -4.408 9.215 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.761 -2.702 9.673 1.00 0.00 H new ATOM 811 N GLN A 51 3.877 -8.037 3.858 1.00 0.00 N ATOM 812 CA GLN A 51 2.890 -9.116 3.803 1.00 0.00 C ATOM 813 C GLN A 51 3.510 -10.450 3.448 1.00 0.00 C ATOM 814 O GLN A 51 2.957 -11.505 3.751 1.00 0.00 O ATOM 815 CB GLN A 51 1.800 -8.774 2.800 1.00 0.00 C ATOM 816 CG GLN A 51 0.957 -7.606 3.221 1.00 0.00 C ATOM 817 CD GLN A 51 0.130 -7.905 4.457 1.00 0.00 C ATOM 818 OE1 GLN A 51 -1.012 -8.339 4.357 1.00 0.00 O ATOM 819 NE2 GLN A 51 0.711 -7.702 5.628 1.00 0.00 N ATOM 0 H GLN A 51 3.929 -7.470 3.012 1.00 0.00 H new ATOM 0 HA GLN A 51 2.462 -9.210 4.801 1.00 0.00 H new ATOM 0 HB2 GLN A 51 2.258 -8.555 1.836 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.159 -9.644 2.658 1.00 0.00 H new ATOM 0 HG2 GLN A 51 1.601 -6.749 3.417 1.00 0.00 H new ATOM 0 HG3 GLN A 51 0.294 -7.326 2.402 1.00 0.00 H new ATOM 0 HE21 GLN A 51 1.663 -7.339 5.669 1.00 0.00 H new ATOM 0 HE22 GLN A 51 0.206 -7.908 6.490 1.00 0.00 H new ATOM 828 N GLY A 52 4.652 -10.414 2.812 1.00 0.00 N ATOM 829 CA GLY A 52 5.290 -11.636 2.406 1.00 0.00 C ATOM 830 C GLY A 52 4.849 -12.048 1.018 1.00 0.00 C ATOM 831 O GLY A 52 4.665 -13.228 0.727 1.00 0.00 O ATOM 0 H GLY A 52 5.154 -9.561 2.567 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.372 -11.508 2.424 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.051 -12.428 3.116 1.00 0.00 H new ATOM 835 N LEU A 53 4.675 -11.065 0.153 1.00 0.00 N ATOM 836 CA LEU A 53 4.269 -11.301 -1.218 1.00 0.00 C ATOM 837 C LEU A 53 5.289 -10.686 -2.159 1.00 0.00 C ATOM 838 O LEU A 53 6.129 -9.897 -1.742 1.00 0.00 O ATOM 839 CB LEU A 53 2.887 -10.706 -1.499 1.00 0.00 C ATOM 840 CG LEU A 53 1.669 -11.480 -0.971 1.00 0.00 C ATOM 841 CD1 LEU A 53 1.681 -12.925 -1.450 1.00 0.00 C ATOM 842 CD2 LEU A 53 1.571 -11.411 0.538 1.00 0.00 C ATOM 0 H LEU A 53 4.812 -10.081 0.383 1.00 0.00 H new ATOM 0 HA LEU A 53 4.214 -12.378 -1.378 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.859 -9.702 -1.075 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.778 -10.600 -2.578 1.00 0.00 H new ATOM 0 HG LEU A 53 0.781 -10.997 -1.380 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.806 -13.445 -1.059 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.660 -12.947 -2.540 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.586 -13.419 -1.095 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.697 -11.970 0.872 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.469 -11.842 0.981 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.477 -10.371 0.849 1.00 0.00 H new ATOM 854 N SER A 54 5.244 -11.050 -3.419 1.00 0.00 N ATOM 855 CA SER A 54 6.158 -10.497 -4.389 1.00 0.00 C ATOM 856 C SER A 54 5.404 -9.763 -5.493 1.00 0.00 C ATOM 857 O SER A 54 4.241 -10.056 -5.755 1.00 0.00 O ATOM 858 CB SER A 54 6.991 -11.618 -4.979 1.00 0.00 C ATOM 859 OG SER A 54 7.722 -12.289 -3.970 1.00 0.00 O ATOM 0 H SER A 54 4.582 -11.728 -3.797 1.00 0.00 H new ATOM 0 HA SER A 54 6.808 -9.776 -3.893 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.342 -12.326 -5.495 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.677 -11.214 -5.723 1.00 0.00 H new ATOM 0 HG SER A 54 8.251 -13.009 -4.373 1.00 0.00 H new ATOM 865 N MET A 55 6.070 -8.809 -6.148 1.00 0.00 N ATOM 866 CA MET A 55 5.462 -8.047 -7.249 1.00 0.00 C ATOM 867 C MET A 55 5.108 -8.950 -8.422 1.00 0.00 C ATOM 868 O MET A 55 4.229 -8.647 -9.219 1.00 0.00 O ATOM 869 CB MET A 55 6.391 -6.919 -7.708 1.00 0.00 C ATOM 870 CG MET A 55 6.283 -5.688 -6.851 1.00 0.00 C ATOM 871 SD MET A 55 4.627 -4.998 -6.892 1.00 0.00 S ATOM 872 CE MET A 55 4.720 -3.881 -5.521 1.00 0.00 C ATOM 0 H MET A 55 7.032 -8.543 -5.937 1.00 0.00 H new ATOM 0 HA MET A 55 4.539 -7.607 -6.872 1.00 0.00 H new ATOM 0 HB2 MET A 55 7.421 -7.275 -7.695 1.00 0.00 H new ATOM 0 HB3 MET A 55 6.156 -6.659 -8.740 1.00 0.00 H new ATOM 0 HG2 MET A 55 6.550 -5.935 -5.823 1.00 0.00 H new ATOM 0 HG3 MET A 55 6.998 -4.941 -7.195 1.00 0.00 H new ATOM 0 HE1 MET A 55 4.033 -4.206 -4.740 1.00 0.00 H new ATOM 0 HE2 MET A 55 5.737 -3.871 -5.128 1.00 0.00 H new ATOM 0 HE3 MET A 55 4.448 -2.878 -5.850 1.00 0.00 H new ATOM 882 N ARG A 56 5.818 -10.052 -8.540 1.00 0.00 N ATOM 883 CA ARG A 56 5.543 -11.030 -9.581 1.00 0.00 C ATOM 884 C ARG A 56 4.459 -12.008 -9.125 1.00 0.00 C ATOM 885 O ARG A 56 3.913 -12.775 -9.913 1.00 0.00 O ATOM 886 CB ARG A 56 6.821 -11.790 -10.000 1.00 0.00 C ATOM 887 CG ARG A 56 7.599 -12.443 -8.856 1.00 0.00 C ATOM 888 CD ARG A 56 8.666 -11.512 -8.280 1.00 0.00 C ATOM 889 NE ARG A 56 9.666 -11.137 -9.279 1.00 0.00 N ATOM 890 CZ ARG A 56 10.677 -10.292 -9.060 1.00 0.00 C ATOM 891 NH1 ARG A 56 10.839 -9.727 -7.867 1.00 0.00 N ATOM 892 NH2 ARG A 56 11.528 -10.015 -10.034 1.00 0.00 N ATOM 0 H ARG A 56 6.595 -10.297 -7.926 1.00 0.00 H new ATOM 0 HA ARG A 56 5.181 -10.489 -10.455 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.545 -12.563 -10.717 1.00 0.00 H new ATOM 0 HB3 ARG A 56 7.483 -11.096 -10.518 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.906 -12.732 -8.066 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.072 -13.357 -9.215 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.189 -10.613 -7.889 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.159 -12.002 -7.440 1.00 0.00 H new ATOM 0 HE ARG A 56 9.586 -11.550 -10.208 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.188 -9.938 -7.110 1.00 0.00 H new ATOM 0 HH12 ARG A 56 11.614 -9.083 -7.709 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.412 -10.446 -10.951 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.300 -9.370 -9.868 1.00 0.00 H new ATOM 906 N GLN A 57 4.161 -11.976 -7.835 1.00 0.00 N ATOM 907 CA GLN A 57 3.179 -12.872 -7.234 1.00 0.00 C ATOM 908 C GLN A 57 1.815 -12.221 -7.102 1.00 0.00 C ATOM 909 O GLN A 57 0.791 -12.900 -7.094 1.00 0.00 O ATOM 910 CB GLN A 57 3.668 -13.346 -5.859 1.00 0.00 C ATOM 911 CG GLN A 57 4.404 -14.676 -5.884 1.00 0.00 C ATOM 912 CD GLN A 57 5.624 -14.663 -6.777 1.00 0.00 C ATOM 913 OE1 GLN A 57 6.732 -14.384 -6.332 1.00 0.00 O ATOM 914 NE2 GLN A 57 5.423 -14.930 -8.047 1.00 0.00 N ATOM 0 H GLN A 57 4.592 -11.329 -7.174 1.00 0.00 H new ATOM 0 HA GLN A 57 3.071 -13.728 -7.900 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.327 -12.587 -5.439 1.00 0.00 H new ATOM 0 HB3 GLN A 57 2.811 -13.430 -5.190 1.00 0.00 H new ATOM 0 HG2 GLN A 57 4.707 -14.936 -4.870 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.722 -15.456 -6.223 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.486 -15.158 -8.378 1.00 0.00 H new ATOM 0 HE22 GLN A 57 6.204 -14.910 -8.702 1.00 0.00 H new ATOM 923 N ILE A 58 1.789 -10.914 -6.990 1.00 0.00 N ATOM 924 CA ILE A 58 0.536 -10.202 -6.833 1.00 0.00 C ATOM 925 C ILE A 58 0.475 -9.027 -7.776 1.00 0.00 C ATOM 926 O ILE A 58 1.434 -8.729 -8.478 1.00 0.00 O ATOM 927 CB ILE A 58 0.336 -9.686 -5.383 1.00 0.00 C ATOM 928 CG1 ILE A 58 1.309 -8.537 -5.082 1.00 0.00 C ATOM 929 CG2 ILE A 58 0.510 -10.819 -4.385 1.00 0.00 C ATOM 930 CD1 ILE A 58 1.260 -8.040 -3.653 1.00 0.00 C ATOM 0 H ILE A 58 2.618 -10.320 -7.004 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.259 -10.912 -7.062 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.680 -9.304 -5.288 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.324 -8.867 -5.305 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.090 -7.705 -5.752 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.366 -10.438 -3.374 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.225 -11.598 -4.587 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.514 -11.234 -4.477 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.977 -7.229 -3.525 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.257 -7.676 -3.428 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.510 -8.856 -2.975 1.00 0.00 H new ATOM 942 N ARG A 59 -0.645 -8.353 -7.781 1.00 0.00 N ATOM 943 CA ARG A 59 -0.839 -7.186 -8.613 1.00 0.00 C ATOM 944 C ARG A 59 -1.793 -6.220 -7.962 1.00 0.00 C ATOM 945 O ARG A 59 -2.769 -6.620 -7.320 1.00 0.00 O ATOM 946 CB ARG A 59 -1.329 -7.555 -10.019 1.00 0.00 C ATOM 947 CG ARG A 59 -0.210 -7.895 -11.003 1.00 0.00 C ATOM 948 CD ARG A 59 0.778 -6.739 -11.141 1.00 0.00 C ATOM 949 NE ARG A 59 1.789 -6.993 -12.173 1.00 0.00 N ATOM 950 CZ ARG A 59 3.050 -6.535 -12.127 1.00 0.00 C ATOM 951 NH1 ARG A 59 3.480 -5.844 -11.069 1.00 0.00 N ATOM 952 NH2 ARG A 59 3.881 -6.785 -13.134 1.00 0.00 N ATOM 0 H ARG A 59 -1.453 -8.596 -7.208 1.00 0.00 H new ATOM 0 HA ARG A 59 0.133 -6.704 -8.721 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.004 -8.408 -9.944 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.909 -6.724 -10.419 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.316 -8.787 -10.664 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.638 -8.128 -11.978 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.234 -5.826 -11.384 1.00 0.00 H new ATOM 0 HD3 ARG A 59 1.272 -6.570 -10.184 1.00 0.00 H new ATOM 0 HE ARG A 59 1.516 -7.555 -12.979 1.00 0.00 H new ATOM 0 HH11 ARG A 59 2.849 -5.661 -10.289 1.00 0.00 H new ATOM 0 HH12 ARG A 59 4.439 -5.499 -11.041 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.560 -7.323 -13.939 1.00 0.00 H new ATOM 0 HH22 ARG A 59 4.840 -6.438 -13.102 1.00 0.00 H new ATOM 966 N PHE A 60 -1.495 -4.950 -8.109 1.00 0.00 N ATOM 967 CA PHE A 60 -2.296 -3.891 -7.548 1.00 0.00 C ATOM 968 C PHE A 60 -3.191 -3.299 -8.615 1.00 0.00 C ATOM 969 O PHE A 60 -2.779 -3.114 -9.763 1.00 0.00 O ATOM 970 CB PHE A 60 -1.392 -2.807 -6.962 1.00 0.00 C ATOM 971 CG PHE A 60 -0.561 -3.271 -5.799 1.00 0.00 C ATOM 972 CD1 PHE A 60 0.528 -4.105 -5.994 1.00 0.00 C ATOM 973 CD2 PHE A 60 -0.866 -2.874 -4.511 1.00 0.00 C ATOM 974 CE1 PHE A 60 1.291 -4.531 -4.931 1.00 0.00 C ATOM 975 CE2 PHE A 60 -0.106 -3.296 -3.441 1.00 0.00 C ATOM 976 CZ PHE A 60 0.973 -4.129 -3.652 1.00 0.00 C ATOM 0 H PHE A 60 -0.680 -4.621 -8.627 1.00 0.00 H new ATOM 0 HA PHE A 60 -2.918 -4.301 -6.752 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -0.730 -2.438 -7.745 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -2.009 -1.967 -6.643 1.00 0.00 H new ATOM 0 HD1 PHE A 60 0.782 -4.425 -6.994 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.711 -2.224 -4.340 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.138 -5.180 -5.099 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.355 -2.975 -2.440 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.568 -4.466 -2.816 1.00 0.00 H new ATOM 986 N ARG A 61 -4.407 -3.010 -8.249 1.00 0.00 N ATOM 987 CA ARG A 61 -5.379 -2.464 -9.158 1.00 0.00 C ATOM 988 C ARG A 61 -6.173 -1.361 -8.498 1.00 0.00 C ATOM 989 O ARG A 61 -6.364 -1.353 -7.280 1.00 0.00 O ATOM 990 CB ARG A 61 -6.320 -3.556 -9.610 1.00 0.00 C ATOM 991 CG ARG A 61 -7.486 -3.044 -10.403 1.00 0.00 C ATOM 992 CD ARG A 61 -8.714 -3.840 -10.123 1.00 0.00 C ATOM 993 NE ARG A 61 -9.024 -4.745 -11.217 1.00 0.00 N ATOM 994 CZ ARG A 61 -9.408 -6.017 -11.070 1.00 0.00 C ATOM 995 NH1 ARG A 61 -9.458 -6.571 -9.864 1.00 0.00 N ATOM 996 NH2 ARG A 61 -9.704 -6.747 -12.138 1.00 0.00 N ATOM 0 H ARG A 61 -4.757 -3.148 -7.301 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.852 -2.049 -10.017 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.767 -4.276 -10.214 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.691 -4.091 -8.736 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.664 -1.997 -10.159 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.254 -3.089 -11.467 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.577 -4.411 -9.205 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -9.555 -3.167 -9.957 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.943 -4.383 -12.167 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.202 -6.025 -9.041 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.752 -7.542 -9.761 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.638 -6.337 -13.070 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.997 -7.718 -12.027 1.00 0.00 H new ATOM 1010 N PHE A 62 -6.626 -0.418 -9.298 1.00 0.00 N ATOM 1011 CA PHE A 62 -7.453 0.646 -8.822 1.00 0.00 C ATOM 1012 C PHE A 62 -8.290 1.189 -9.953 1.00 0.00 C ATOM 1013 O PHE A 62 -7.854 1.214 -11.091 1.00 0.00 O ATOM 1014 CB PHE A 62 -6.612 1.740 -8.190 1.00 0.00 C ATOM 1015 CG PHE A 62 -7.415 2.872 -7.639 1.00 0.00 C ATOM 1016 CD1 PHE A 62 -7.916 2.805 -6.361 1.00 0.00 C ATOM 1017 CD2 PHE A 62 -7.681 3.995 -8.405 1.00 0.00 C ATOM 1018 CE1 PHE A 62 -8.669 3.832 -5.851 1.00 0.00 C ATOM 1019 CE2 PHE A 62 -8.433 5.030 -7.900 1.00 0.00 C ATOM 1020 CZ PHE A 62 -8.929 4.947 -6.622 1.00 0.00 C ATOM 0 H PHE A 62 -6.425 -0.377 -10.297 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.120 0.258 -8.052 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.012 1.308 -7.389 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -5.917 2.128 -8.935 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.715 1.936 -5.753 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.293 4.059 -9.411 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -9.059 3.768 -4.846 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.632 5.902 -8.505 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.523 5.755 -6.220 1.00 0.00 H new ATOM 1030 N ASP A 63 -9.503 1.617 -9.633 1.00 0.00 N ATOM 1031 CA ASP A 63 -10.461 2.147 -10.623 1.00 0.00 C ATOM 1032 C ASP A 63 -10.728 1.114 -11.709 1.00 0.00 C ATOM 1033 O ASP A 63 -11.127 1.441 -12.828 1.00 0.00 O ATOM 1034 CB ASP A 63 -9.909 3.418 -11.260 1.00 0.00 C ATOM 1035 CG ASP A 63 -11.000 4.399 -11.642 1.00 0.00 C ATOM 1036 OD1 ASP A 63 -11.510 4.323 -12.777 1.00 0.00 O ATOM 1037 OD2 ASP A 63 -11.361 5.251 -10.803 1.00 0.00 O ATOM 0 H ASP A 63 -9.862 1.611 -8.678 1.00 0.00 H new ATOM 0 HA ASP A 63 -11.395 2.375 -10.109 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.220 3.899 -10.565 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -9.334 3.155 -12.148 1.00 0.00 H new ATOM 1042 N GLY A 64 -10.528 -0.142 -11.371 1.00 0.00 N ATOM 1043 CA GLY A 64 -10.732 -1.203 -12.315 1.00 0.00 C ATOM 1044 C GLY A 64 -9.567 -1.383 -13.280 1.00 0.00 C ATOM 1045 O GLY A 64 -9.600 -2.254 -14.152 1.00 0.00 O ATOM 0 H GLY A 64 -10.224 -0.447 -10.446 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.894 -2.135 -11.774 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.639 -1.003 -12.885 1.00 0.00 H new ATOM 1049 N GLN A 65 -8.537 -0.571 -13.138 1.00 0.00 N ATOM 1050 CA GLN A 65 -7.365 -0.664 -13.992 1.00 0.00 C ATOM 1051 C GLN A 65 -6.139 -1.049 -13.161 1.00 0.00 C ATOM 1052 O GLN A 65 -6.035 -0.676 -11.994 1.00 0.00 O ATOM 1053 CB GLN A 65 -7.124 0.666 -14.723 1.00 0.00 C ATOM 1054 CG GLN A 65 -6.990 1.860 -13.794 1.00 0.00 C ATOM 1055 CD GLN A 65 -6.705 3.159 -14.513 1.00 0.00 C ATOM 1056 OE1 GLN A 65 -7.126 3.365 -15.653 1.00 0.00 O ATOM 1057 NE2 GLN A 65 -5.984 4.040 -13.850 1.00 0.00 N ATOM 0 H GLN A 65 -8.487 0.166 -12.435 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.538 -1.438 -14.740 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -6.218 0.581 -15.323 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -7.948 0.845 -15.413 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.910 1.967 -13.219 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.189 1.666 -13.081 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.657 3.826 -12.908 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -5.753 4.936 -14.279 1.00 0.00 H new ATOM 1066 N PRO A 66 -5.212 -1.811 -13.740 1.00 0.00 N ATOM 1067 CA PRO A 66 -4.005 -2.235 -13.034 1.00 0.00 C ATOM 1068 C PRO A 66 -3.066 -1.060 -12.758 1.00 0.00 C ATOM 1069 O PRO A 66 -2.888 -0.174 -13.604 1.00 0.00 O ATOM 1070 CB PRO A 66 -3.356 -3.238 -13.994 1.00 0.00 C ATOM 1071 CG PRO A 66 -3.886 -2.881 -15.342 1.00 0.00 C ATOM 1072 CD PRO A 66 -5.260 -2.313 -15.123 1.00 0.00 C ATOM 0 HA PRO A 66 -4.228 -2.661 -12.056 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -2.269 -3.165 -13.965 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.614 -4.263 -13.727 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.239 -2.154 -15.833 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.927 -3.758 -15.988 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -5.481 -1.515 -15.832 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.032 -3.072 -15.247 1.00 0.00 H new ATOM 1080 N ILE A 67 -2.470 -1.042 -11.579 1.00 0.00 N ATOM 1081 CA ILE A 67 -1.581 0.035 -11.191 1.00 0.00 C ATOM 1082 C ILE A 67 -0.143 -0.309 -11.561 1.00 0.00 C ATOM 1083 O ILE A 67 0.256 -1.475 -11.536 1.00 0.00 O ATOM 1084 CB ILE A 67 -1.646 0.297 -9.663 1.00 0.00 C ATOM 1085 CG1 ILE A 67 -3.088 0.481 -9.198 1.00 0.00 C ATOM 1086 CG2 ILE A 67 -0.819 1.518 -9.296 1.00 0.00 C ATOM 1087 CD1 ILE A 67 -3.214 0.707 -7.707 1.00 0.00 C ATOM 0 H ILE A 67 -2.588 -1.767 -10.871 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.904 0.931 -11.722 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.232 -0.575 -9.157 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.527 1.328 -9.725 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.667 -0.400 -9.475 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.876 1.686 -8.221 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.220 1.353 -9.583 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.206 2.391 -9.821 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.265 0.830 -7.445 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.805 -0.151 -7.173 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.663 1.605 -7.427 1.00 0.00 H new ATOM 1099 N ASN A 68 0.633 0.696 -11.920 1.00 0.00 N ATOM 1100 CA ASN A 68 2.032 0.495 -12.235 1.00 0.00 C ATOM 1101 C ASN A 68 2.864 1.102 -11.149 1.00 0.00 C ATOM 1102 O ASN A 68 2.411 1.991 -10.427 1.00 0.00 O ATOM 1103 CB ASN A 68 2.429 1.137 -13.580 1.00 0.00 C ATOM 1104 CG ASN A 68 1.258 1.512 -14.452 1.00 0.00 C ATOM 1105 OD1 ASN A 68 0.758 0.699 -15.226 1.00 0.00 O ATOM 1106 ND2 ASN A 68 0.827 2.753 -14.347 1.00 0.00 N ATOM 0 H ASN A 68 0.316 1.662 -12.000 1.00 0.00 H new ATOM 0 HA ASN A 68 2.203 -0.579 -12.314 1.00 0.00 H new ATOM 0 HB2 ASN A 68 3.022 2.030 -13.383 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.068 0.444 -14.127 1.00 0.00 H new ATOM 0 HD21 ASN A 68 0.048 3.073 -14.922 1.00 0.00 H new ATOM 0 HD22 ASN A 68 1.273 3.394 -13.690 1.00 0.00 H new ATOM 1113 N GLU A 69 4.082 0.648 -11.020 1.00 0.00 N ATOM 1114 CA GLU A 69 4.982 1.194 -10.031 1.00 0.00 C ATOM 1115 C GLU A 69 5.370 2.611 -10.390 1.00 0.00 C ATOM 1116 O GLU A 69 5.829 3.385 -9.554 1.00 0.00 O ATOM 1117 CB GLU A 69 6.217 0.302 -9.858 1.00 0.00 C ATOM 1118 CG GLU A 69 6.828 -0.206 -11.160 1.00 0.00 C ATOM 1119 CD GLU A 69 7.464 0.849 -11.990 1.00 0.00 C ATOM 1120 OE1 GLU A 69 8.487 1.412 -11.557 1.00 0.00 O ATOM 1121 OE2 GLU A 69 6.951 1.112 -13.091 1.00 0.00 O ATOM 0 H GLU A 69 4.478 -0.101 -11.588 1.00 0.00 H new ATOM 0 HA GLU A 69 4.462 1.221 -9.073 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.977 0.860 -9.310 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.945 -0.555 -9.242 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.573 -0.966 -10.926 1.00 0.00 H new ATOM 0 HG3 GLU A 69 6.050 -0.694 -11.747 1.00 0.00 H new ATOM 1128 N THR A 70 5.194 2.954 -11.636 1.00 0.00 N ATOM 1129 CA THR A 70 5.516 4.261 -12.091 1.00 0.00 C ATOM 1130 C THR A 70 4.293 5.179 -12.117 1.00 0.00 C ATOM 1131 O THR A 70 4.320 6.257 -12.706 1.00 0.00 O ATOM 1132 CB THR A 70 6.172 4.200 -13.464 1.00 0.00 C ATOM 1133 OG1 THR A 70 5.604 3.110 -14.211 1.00 0.00 O ATOM 1134 CG2 THR A 70 7.657 3.972 -13.308 1.00 0.00 C ATOM 0 H THR A 70 4.824 2.332 -12.355 1.00 0.00 H new ATOM 0 HA THR A 70 6.223 4.688 -11.380 1.00 0.00 H new ATOM 0 HB THR A 70 6.002 5.140 -13.989 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.192 2.328 -14.147 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.124 3.929 -14.292 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.093 4.791 -12.735 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.828 3.032 -12.784 1.00 0.00 H new ATOM 1142 N ASP A 71 3.223 4.759 -11.452 1.00 0.00 N ATOM 1143 CA ASP A 71 1.994 5.544 -11.412 1.00 0.00 C ATOM 1144 C ASP A 71 1.943 6.388 -10.133 1.00 0.00 C ATOM 1145 O ASP A 71 2.527 6.020 -9.105 1.00 0.00 O ATOM 1146 CB ASP A 71 0.776 4.620 -11.473 1.00 0.00 C ATOM 1147 CG ASP A 71 -0.433 5.285 -12.094 1.00 0.00 C ATOM 1148 OD1 ASP A 71 -1.100 6.074 -11.411 1.00 0.00 O ATOM 1149 OD2 ASP A 71 -0.719 5.004 -13.279 1.00 0.00 O ATOM 0 H ASP A 71 3.181 3.881 -10.934 1.00 0.00 H new ATOM 0 HA ASP A 71 1.979 6.210 -12.275 1.00 0.00 H new ATOM 0 HB2 ASP A 71 1.030 3.729 -12.047 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.526 4.289 -10.465 1.00 0.00 H new ATOM 1154 N THR A 72 1.277 7.525 -10.199 1.00 0.00 N ATOM 1155 CA THR A 72 1.140 8.408 -9.048 1.00 0.00 C ATOM 1156 C THR A 72 -0.350 8.543 -8.664 1.00 0.00 C ATOM 1157 O THR A 72 -1.207 8.620 -9.538 1.00 0.00 O ATOM 1158 CB THR A 72 1.723 9.800 -9.382 1.00 0.00 C ATOM 1159 OG1 THR A 72 2.818 9.646 -10.299 1.00 0.00 O ATOM 1160 CG2 THR A 72 2.229 10.508 -8.135 1.00 0.00 C ATOM 0 H THR A 72 0.817 7.864 -11.044 1.00 0.00 H new ATOM 0 HA THR A 72 1.688 7.984 -8.207 1.00 0.00 H new ATOM 0 HB THR A 72 0.928 10.401 -9.823 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.190 10.527 -10.515 1.00 0.00 H new ATOM 0 HG21 THR A 72 2.632 11.483 -8.408 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.406 10.639 -7.432 1.00 0.00 H new ATOM 0 HG23 THR A 72 3.012 9.910 -7.669 1.00 0.00 H new ATOM 1168 N PRO A 73 -0.666 8.585 -7.348 1.00 0.00 N ATOM 1169 CA PRO A 73 -2.056 8.653 -6.842 1.00 0.00 C ATOM 1170 C PRO A 73 -2.859 9.807 -7.445 1.00 0.00 C ATOM 1171 O PRO A 73 -4.071 9.698 -7.678 1.00 0.00 O ATOM 1172 CB PRO A 73 -1.871 8.884 -5.328 1.00 0.00 C ATOM 1173 CG PRO A 73 -0.452 9.300 -5.178 1.00 0.00 C ATOM 1174 CD PRO A 73 0.292 8.583 -6.247 1.00 0.00 C ATOM 0 HA PRO A 73 -2.615 7.754 -7.099 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.550 9.653 -4.959 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.079 7.977 -4.761 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.347 10.380 -5.285 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.069 9.038 -4.191 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.217 9.095 -6.512 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.563 7.571 -5.945 1.00 0.00 H new ATOM 1182 N ALA A 74 -2.184 10.906 -7.705 1.00 0.00 N ATOM 1183 CA ALA A 74 -2.818 12.091 -8.241 1.00 0.00 C ATOM 1184 C ALA A 74 -3.309 11.873 -9.669 1.00 0.00 C ATOM 1185 O ALA A 74 -4.262 12.512 -10.116 1.00 0.00 O ATOM 1186 CB ALA A 74 -1.853 13.256 -8.180 1.00 0.00 C ATOM 0 H ALA A 74 -1.180 11.003 -7.551 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.693 12.314 -7.631 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.333 14.147 -8.584 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.566 13.437 -7.144 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.965 13.024 -8.768 1.00 0.00 H new ATOM 1192 N GLN A 75 -2.673 10.956 -10.379 1.00 0.00 N ATOM 1193 CA GLN A 75 -3.029 10.658 -11.757 1.00 0.00 C ATOM 1194 C GLN A 75 -4.398 10.018 -11.849 1.00 0.00 C ATOM 1195 O GLN A 75 -5.177 10.315 -12.758 1.00 0.00 O ATOM 1196 CB GLN A 75 -1.982 9.747 -12.399 1.00 0.00 C ATOM 1197 CG GLN A 75 -0.870 10.488 -13.126 1.00 0.00 C ATOM 1198 CD GLN A 75 -0.149 11.512 -12.259 1.00 0.00 C ATOM 1199 OE1 GLN A 75 -0.025 11.350 -11.049 1.00 0.00 O ATOM 1200 NE2 GLN A 75 0.322 12.577 -12.875 1.00 0.00 N ATOM 0 H GLN A 75 -1.898 10.399 -10.019 1.00 0.00 H new ATOM 0 HA GLN A 75 -3.058 11.603 -12.299 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -1.539 9.120 -11.625 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -2.480 9.081 -13.103 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -0.145 9.764 -13.497 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -1.290 10.993 -13.996 1.00 0.00 H new ATOM 0 HE21 GLN A 75 0.201 12.679 -13.883 1.00 0.00 H new ATOM 0 HE22 GLN A 75 0.808 13.300 -12.344 1.00 0.00 H new ATOM 1209 N LEU A 76 -4.711 9.146 -10.904 1.00 0.00 N ATOM 1210 CA LEU A 76 -5.987 8.464 -10.915 1.00 0.00 C ATOM 1211 C LEU A 76 -7.071 9.352 -10.324 1.00 0.00 C ATOM 1212 O LEU A 76 -8.257 9.048 -10.429 1.00 0.00 O ATOM 1213 CB LEU A 76 -5.905 7.140 -10.144 1.00 0.00 C ATOM 1214 CG LEU A 76 -4.630 6.324 -10.374 1.00 0.00 C ATOM 1215 CD1 LEU A 76 -3.661 6.523 -9.225 1.00 0.00 C ATOM 1216 CD2 LEU A 76 -4.953 4.851 -10.553 1.00 0.00 C ATOM 0 H LEU A 76 -4.100 8.897 -10.126 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.244 8.242 -11.951 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.992 7.354 -9.079 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.763 6.526 -10.417 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.159 6.679 -11.291 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.760 5.936 -9.403 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.398 7.578 -9.149 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.127 6.198 -8.295 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.031 4.293 -10.715 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.451 4.477 -9.659 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.609 4.724 -11.414 1.00 0.00 H new ATOM 1228 N GLU A 77 -6.650 10.475 -9.711 1.00 0.00 N ATOM 1229 CA GLU A 77 -7.572 11.417 -9.077 1.00 0.00 C ATOM 1230 C GLU A 77 -8.435 10.687 -8.060 1.00 0.00 C ATOM 1231 O GLU A 77 -9.651 10.853 -8.000 1.00 0.00 O ATOM 1232 CB GLU A 77 -8.421 12.125 -10.138 1.00 0.00 C ATOM 1233 CG GLU A 77 -7.610 13.066 -11.019 1.00 0.00 C ATOM 1234 CD GLU A 77 -8.397 13.622 -12.182 1.00 0.00 C ATOM 1235 OE1 GLU A 77 -9.449 14.255 -11.951 1.00 0.00 O ATOM 1236 OE2 GLU A 77 -7.964 13.437 -13.339 1.00 0.00 O ATOM 0 H GLU A 77 -5.669 10.747 -9.645 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.004 12.183 -8.549 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.906 11.377 -10.765 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -9.212 12.690 -9.645 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.240 13.892 -10.412 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.738 12.535 -11.400 1.00 0.00 H new ATOM 1243 N MET A 78 -7.771 9.879 -7.250 1.00 0.00 N ATOM 1244 CA MET A 78 -8.422 9.043 -6.253 1.00 0.00 C ATOM 1245 C MET A 78 -8.879 9.858 -5.021 1.00 0.00 C ATOM 1246 O MET A 78 -9.330 11.001 -5.148 1.00 0.00 O ATOM 1247 CB MET A 78 -7.470 7.899 -5.871 1.00 0.00 C ATOM 1248 CG MET A 78 -6.170 8.333 -5.209 1.00 0.00 C ATOM 1249 SD MET A 78 -4.807 7.202 -5.552 1.00 0.00 S ATOM 1250 CE MET A 78 -5.572 5.617 -5.240 1.00 0.00 C ATOM 0 H MET A 78 -6.756 9.784 -7.266 1.00 0.00 H new ATOM 0 HA MET A 78 -9.333 8.621 -6.678 1.00 0.00 H new ATOM 0 HB2 MET A 78 -7.994 7.221 -5.197 1.00 0.00 H new ATOM 0 HB3 MET A 78 -7.230 7.332 -6.770 1.00 0.00 H new ATOM 0 HG2 MET A 78 -5.905 9.332 -5.557 1.00 0.00 H new ATOM 0 HG3 MET A 78 -6.320 8.400 -4.131 1.00 0.00 H new ATOM 0 HE1 MET A 78 -4.805 4.889 -4.974 1.00 0.00 H new ATOM 0 HE2 MET A 78 -6.283 5.711 -4.419 1.00 0.00 H new ATOM 0 HE3 MET A 78 -6.095 5.283 -6.136 1.00 0.00 H new ATOM 1260 N GLU A 79 -8.741 9.292 -3.829 1.00 0.00 N ATOM 1261 CA GLU A 79 -9.211 9.948 -2.626 1.00 0.00 C ATOM 1262 C GLU A 79 -8.527 9.342 -1.426 1.00 0.00 C ATOM 1263 O GLU A 79 -8.082 8.197 -1.474 1.00 0.00 O ATOM 1264 CB GLU A 79 -10.732 9.807 -2.479 1.00 0.00 C ATOM 1265 CG GLU A 79 -11.185 8.408 -2.112 1.00 0.00 C ATOM 1266 CD GLU A 79 -12.688 8.279 -2.028 1.00 0.00 C ATOM 1267 OE1 GLU A 79 -13.348 8.210 -3.089 1.00 0.00 O ATOM 1268 OE2 GLU A 79 -13.225 8.241 -0.900 1.00 0.00 O ATOM 0 H GLU A 79 -8.308 8.382 -3.674 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.972 11.009 -2.694 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.080 10.503 -1.716 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.207 10.098 -3.416 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.806 7.703 -2.852 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.747 8.130 -1.153 1.00 0.00 H new ATOM 1275 N ASP A 80 -8.369 10.108 -0.367 1.00 0.00 N ATOM 1276 CA ASP A 80 -7.845 9.580 0.876 1.00 0.00 C ATOM 1277 C ASP A 80 -8.717 8.451 1.404 1.00 0.00 C ATOM 1278 O ASP A 80 -9.950 8.469 1.263 1.00 0.00 O ATOM 1279 CB ASP A 80 -7.749 10.690 1.921 1.00 0.00 C ATOM 1280 CG ASP A 80 -9.086 11.365 2.172 1.00 0.00 C ATOM 1281 OD1 ASP A 80 -9.543 12.136 1.293 1.00 0.00 O ATOM 1282 OD2 ASP A 80 -9.685 11.128 3.232 1.00 0.00 O ATOM 0 H ASP A 80 -8.597 11.102 -0.342 1.00 0.00 H new ATOM 0 HA ASP A 80 -6.850 9.182 0.678 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.374 10.274 2.856 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -7.025 11.435 1.591 1.00 0.00 H new ATOM 1287 N GLU A 81 -8.060 7.456 1.982 1.00 0.00 N ATOM 1288 CA GLU A 81 -8.699 6.287 2.569 1.00 0.00 C ATOM 1289 C GLU A 81 -9.263 5.376 1.498 1.00 0.00 C ATOM 1290 O GLU A 81 -10.066 4.490 1.782 1.00 0.00 O ATOM 1291 CB GLU A 81 -9.777 6.678 3.585 1.00 0.00 C ATOM 1292 CG GLU A 81 -9.239 7.441 4.782 1.00 0.00 C ATOM 1293 CD GLU A 81 -10.280 7.640 5.855 1.00 0.00 C ATOM 1294 OE1 GLU A 81 -10.714 6.638 6.463 1.00 0.00 O ATOM 1295 OE2 GLU A 81 -10.660 8.801 6.115 1.00 0.00 O ATOM 0 H GLU A 81 -7.043 7.439 2.058 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.930 5.735 3.109 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -10.530 7.287 3.086 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -10.278 5.776 3.936 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -8.389 6.902 5.200 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -8.870 8.413 4.454 1.00 0.00 H new ATOM 1302 N ASP A 82 -8.833 5.579 0.259 1.00 0.00 N ATOM 1303 CA ASP A 82 -9.300 4.749 -0.840 1.00 0.00 C ATOM 1304 C ASP A 82 -8.712 3.349 -0.726 1.00 0.00 C ATOM 1305 O ASP A 82 -7.686 3.145 -0.068 1.00 0.00 O ATOM 1306 CB ASP A 82 -8.948 5.358 -2.186 1.00 0.00 C ATOM 1307 CG ASP A 82 -10.016 5.081 -3.220 1.00 0.00 C ATOM 1308 OD1 ASP A 82 -10.591 3.966 -3.210 1.00 0.00 O ATOM 1309 OD2 ASP A 82 -10.289 5.971 -4.044 1.00 0.00 O ATOM 0 H ASP A 82 -8.168 6.305 -0.007 1.00 0.00 H new ATOM 0 HA ASP A 82 -10.386 4.688 -0.776 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -8.818 6.435 -2.076 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -7.995 4.956 -2.530 1.00 0.00 H new ATOM 1314 N THR A 83 -9.343 2.384 -1.361 1.00 0.00 N ATOM 1315 CA THR A 83 -8.912 1.010 -1.255 1.00 0.00 C ATOM 1316 C THR A 83 -8.260 0.497 -2.544 1.00 0.00 C ATOM 1317 O THR A 83 -8.829 0.582 -3.634 1.00 0.00 O ATOM 1318 CB THR A 83 -10.092 0.103 -0.877 1.00 0.00 C ATOM 1319 OG1 THR A 83 -10.745 0.638 0.289 1.00 0.00 O ATOM 1320 CG2 THR A 83 -9.614 -1.312 -0.581 1.00 0.00 C ATOM 0 H THR A 83 -10.158 2.528 -1.957 1.00 0.00 H new ATOM 0 HA THR A 83 -8.157 0.979 -0.469 1.00 0.00 H new ATOM 0 HB THR A 83 -10.787 0.067 -1.716 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.500 0.063 0.533 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.467 -1.936 -0.316 1.00 0.00 H new ATOM 0 HG22 THR A 83 -9.124 -1.723 -1.464 1.00 0.00 H new ATOM 0 HG23 THR A 83 -8.908 -1.291 0.249 1.00 0.00 H new ATOM 1328 N ILE A 84 -7.059 -0.032 -2.399 1.00 0.00 N ATOM 1329 CA ILE A 84 -6.331 -0.623 -3.502 1.00 0.00 C ATOM 1330 C ILE A 84 -6.682 -2.101 -3.596 1.00 0.00 C ATOM 1331 O ILE A 84 -6.700 -2.811 -2.587 1.00 0.00 O ATOM 1332 CB ILE A 84 -4.801 -0.479 -3.314 1.00 0.00 C ATOM 1333 CG1 ILE A 84 -4.402 0.989 -3.105 1.00 0.00 C ATOM 1334 CG2 ILE A 84 -4.060 -1.073 -4.502 1.00 0.00 C ATOM 1335 CD1 ILE A 84 -4.717 1.889 -4.278 1.00 0.00 C ATOM 0 H ILE A 84 -6.561 -0.063 -1.509 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.614 -0.100 -4.416 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.519 -1.031 -2.418 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -4.913 1.371 -2.221 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.332 1.038 -2.901 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.986 -0.963 -4.353 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.307 -2.131 -4.593 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.355 -0.552 -5.413 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.404 2.908 -4.049 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.185 1.536 -5.161 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.790 1.874 -4.471 1.00 0.00 H new ATOM 1347 N ASP A 85 -6.960 -2.564 -4.793 1.00 0.00 N ATOM 1348 CA ASP A 85 -7.351 -3.946 -5.012 1.00 0.00 C ATOM 1349 C ASP A 85 -6.139 -4.796 -5.365 1.00 0.00 C ATOM 1350 O ASP A 85 -5.507 -4.589 -6.392 1.00 0.00 O ATOM 1351 CB ASP A 85 -8.379 -4.011 -6.140 1.00 0.00 C ATOM 1352 CG ASP A 85 -8.927 -5.397 -6.374 1.00 0.00 C ATOM 1353 OD1 ASP A 85 -9.707 -5.886 -5.529 1.00 0.00 O ATOM 1354 OD2 ASP A 85 -8.619 -5.990 -7.420 1.00 0.00 O ATOM 0 H ASP A 85 -6.923 -2.000 -5.642 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.790 -4.338 -4.095 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -9.204 -3.337 -5.909 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.920 -3.650 -7.060 1.00 0.00 H new ATOM 1359 N VAL A 86 -5.791 -5.730 -4.504 1.00 0.00 N ATOM 1360 CA VAL A 86 -4.673 -6.616 -4.774 1.00 0.00 C ATOM 1361 C VAL A 86 -5.158 -8.033 -4.985 1.00 0.00 C ATOM 1362 O VAL A 86 -6.012 -8.530 -4.248 1.00 0.00 O ATOM 1363 CB VAL A 86 -3.623 -6.591 -3.643 1.00 0.00 C ATOM 1364 CG1 VAL A 86 -2.477 -7.552 -3.937 1.00 0.00 C ATOM 1365 CG2 VAL A 86 -3.093 -5.196 -3.470 1.00 0.00 C ATOM 0 H VAL A 86 -6.262 -5.896 -3.615 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.194 -6.254 -5.684 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.106 -6.912 -2.720 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.752 -7.514 -3.124 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.867 -8.566 -4.028 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.991 -7.265 -4.870 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.352 -5.185 -2.670 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.629 -4.865 -4.399 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.913 -4.524 -3.215 1.00 0.00 H new ATOM 1375 N PHE A 87 -4.603 -8.687 -5.976 1.00 0.00 N ATOM 1376 CA PHE A 87 -4.975 -10.045 -6.308 1.00 0.00 C ATOM 1377 C PHE A 87 -3.736 -10.854 -6.669 1.00 0.00 C ATOM 1378 O PHE A 87 -2.718 -10.294 -7.090 1.00 0.00 O ATOM 1379 CB PHE A 87 -6.008 -10.057 -7.440 1.00 0.00 C ATOM 1380 CG PHE A 87 -5.721 -9.077 -8.542 1.00 0.00 C ATOM 1381 CD1 PHE A 87 -4.948 -9.444 -9.622 1.00 0.00 C ATOM 1382 CD2 PHE A 87 -6.231 -7.789 -8.495 1.00 0.00 C ATOM 1383 CE1 PHE A 87 -4.687 -8.549 -10.639 1.00 0.00 C ATOM 1384 CE2 PHE A 87 -5.972 -6.895 -9.506 1.00 0.00 C ATOM 1385 CZ PHE A 87 -5.199 -7.273 -10.580 1.00 0.00 C ATOM 0 H PHE A 87 -3.879 -8.294 -6.578 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.437 -10.511 -5.438 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -6.055 -11.060 -7.864 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.991 -9.840 -7.023 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.542 -10.443 -9.673 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.838 -7.485 -7.655 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -4.081 -8.850 -11.481 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.376 -5.894 -9.458 1.00 0.00 H new ATOM 0 HZ PHE A 87 -4.995 -6.570 -11.374 1.00 0.00 H new ATOM 1395 N GLN A 88 -3.803 -12.165 -6.483 1.00 0.00 N ATOM 1396 CA GLN A 88 -2.661 -13.034 -6.729 1.00 0.00 C ATOM 1397 C GLN A 88 -2.501 -13.350 -8.218 1.00 0.00 C ATOM 1398 O GLN A 88 -3.318 -14.048 -8.818 1.00 0.00 O ATOM 1399 CB GLN A 88 -2.806 -14.336 -5.939 1.00 0.00 C ATOM 1400 CG GLN A 88 -1.516 -15.138 -5.828 1.00 0.00 C ATOM 1401 CD GLN A 88 -0.779 -14.909 -4.515 1.00 0.00 C ATOM 1402 OE1 GLN A 88 -0.073 -15.789 -4.029 1.00 0.00 O ATOM 1403 NE2 GLN A 88 -0.956 -13.744 -3.922 1.00 0.00 N ATOM 0 H GLN A 88 -4.640 -12.651 -6.161 1.00 0.00 H new ATOM 0 HA GLN A 88 -1.768 -12.503 -6.398 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -3.165 -14.103 -4.936 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -3.567 -14.955 -6.414 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.745 -16.199 -5.928 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -0.859 -14.874 -6.657 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -1.549 -13.036 -4.355 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -0.499 -13.551 -3.031 1.00 0.00 H new ATOM 1412 N GLN A 89 -1.447 -12.828 -8.802 1.00 0.00 N ATOM 1413 CA GLN A 89 -1.124 -13.075 -10.201 1.00 0.00 C ATOM 1414 C GLN A 89 0.100 -13.969 -10.329 1.00 0.00 C ATOM 1415 O GLN A 89 0.871 -13.852 -11.274 1.00 0.00 O ATOM 1416 CB GLN A 89 -0.894 -11.755 -10.933 1.00 0.00 C ATOM 1417 CG GLN A 89 -2.174 -10.991 -11.226 1.00 0.00 C ATOM 1418 CD GLN A 89 -3.089 -11.734 -12.190 1.00 0.00 C ATOM 1419 OE1 GLN A 89 -2.628 -12.473 -13.058 1.00 0.00 O ATOM 1420 NE2 GLN A 89 -4.383 -11.541 -12.048 1.00 0.00 N ATOM 0 H GLN A 89 -0.784 -12.218 -8.325 1.00 0.00 H new ATOM 0 HA GLN A 89 -1.969 -13.589 -10.658 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -0.235 -11.127 -10.334 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -0.377 -11.955 -11.872 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -2.706 -10.809 -10.292 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -1.924 -10.017 -11.646 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -4.729 -10.920 -11.316 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -5.040 -12.012 -12.670 1.00 0.00 H new