USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 569 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 68 ASN : amide:sc= 0.856 K(o=0.89,f=0.024) USER MOD Set 1.2: A 70 THR OG1 : rot 180:sc= 0.0367 USER MOD Set 2.1: A 25 GLN : amide:sc= -0.115 X(o=-0.9,f=-0.52) USER MOD Set 2.2: A 88 GLN : amide:sc= -0.782! X(o=-0.9!,f=-0.52) USER MOD Single : A 17 HIS : no HE2:sc= -1.62 X(o=-1.6,f=-1.6) USER MOD Single : A 19 ASN : amide:sc= -0.829 K(o=-0.83,f=-2.4!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.0251 X(o=-0.025,f=-0.048) USER MOD Single : A 38 THR OG1 : rot -170:sc= -2.47! USER MOD Single : A 41 SER OG : rot 96:sc= 1.24 USER MOD Single : A 44 MET CE :methyl -176:sc= -0.0891 (180deg=-0.0955) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 69:sc= -4.22! USER MOD Single : A 51 GLN : amide:sc= -0.43 X(o=-0.43,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 138:sc= -0.553 (180deg=-2.27) USER MOD Single : A 57 GLN :FLIP amide:sc=-0.00115 F(o=-0.98,f=-0.0012) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0666 USER MOD Single : A 75 GLN :FLIP amide:sc= -0.181 F(o=-1.4!,f=-0.18) USER MOD Single : A 78 MET CE :methyl 141:sc= -2.06 (180deg=-3.1!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 242 N HIS A 17 -6.133 11.227 9.894 1.00 0.00 N ATOM 243 CA HIS A 17 -5.813 10.212 8.929 1.00 0.00 C ATOM 244 C HIS A 17 -7.031 9.336 8.630 1.00 0.00 C ATOM 245 O HIS A 17 -8.076 9.471 9.263 1.00 0.00 O ATOM 246 CB HIS A 17 -4.663 9.358 9.446 1.00 0.00 C ATOM 247 CG HIS A 17 -4.998 8.527 10.642 1.00 0.00 C ATOM 248 ND1 HIS A 17 -5.190 9.037 11.906 1.00 0.00 N ATOM 249 CD2 HIS A 17 -5.183 7.212 10.742 1.00 0.00 C ATOM 250 CE1 HIS A 17 -5.478 8.054 12.730 1.00 0.00 C ATOM 251 NE2 HIS A 17 -5.485 6.930 12.051 1.00 0.00 N ATOM 0 HA HIS A 17 -5.513 10.698 8.001 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -4.327 8.700 8.645 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -3.826 10.010 9.695 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -5.120 10.022 12.163 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -5.109 6.496 9.937 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -5.676 8.154 13.787 1.00 0.00 H new ATOM 260 N ILE A 18 -6.885 8.434 7.672 1.00 0.00 N ATOM 261 CA ILE A 18 -7.966 7.522 7.291 1.00 0.00 C ATOM 262 C ILE A 18 -7.495 6.078 7.287 1.00 0.00 C ATOM 263 O ILE A 18 -6.305 5.791 7.429 1.00 0.00 O ATOM 264 CB ILE A 18 -8.571 7.841 5.904 1.00 0.00 C ATOM 265 CG1 ILE A 18 -7.490 7.796 4.803 1.00 0.00 C ATOM 266 CG2 ILE A 18 -9.280 9.186 5.928 1.00 0.00 C ATOM 267 CD1 ILE A 18 -8.043 7.845 3.388 1.00 0.00 C ATOM 0 H ILE A 18 -6.025 8.309 7.138 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.740 7.666 8.045 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.309 7.075 5.669 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.808 8.634 4.944 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -6.904 6.885 4.921 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -9.699 9.394 4.944 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -10.082 9.162 6.666 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.568 9.968 6.191 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -7.220 7.809 2.674 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -8.702 6.992 3.225 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -8.604 8.769 3.248 1.00 0.00 H new ATOM 279 N ASN A 19 -8.434 5.165 7.148 1.00 0.00 N ATOM 280 CA ASN A 19 -8.130 3.749 7.101 1.00 0.00 C ATOM 281 C ASN A 19 -8.053 3.297 5.657 1.00 0.00 C ATOM 282 O ASN A 19 -8.794 3.777 4.817 1.00 0.00 O ATOM 283 CB ASN A 19 -9.217 2.944 7.825 1.00 0.00 C ATOM 284 CG ASN A 19 -9.434 3.394 9.254 1.00 0.00 C ATOM 285 OD1 ASN A 19 -8.811 2.883 10.181 1.00 0.00 O ATOM 286 ND2 ASN A 19 -10.328 4.351 9.439 1.00 0.00 N ATOM 0 H ASN A 19 -9.427 5.382 7.065 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.174 3.579 7.596 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -10.154 3.033 7.276 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -8.944 1.889 7.820 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -10.522 4.692 10.380 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -10.823 4.748 8.640 1.00 0.00 H new ATOM 293 N LEU A 20 -7.141 2.414 5.361 1.00 0.00 N ATOM 294 CA LEU A 20 -7.020 1.847 4.028 1.00 0.00 C ATOM 295 C LEU A 20 -6.943 0.345 4.115 1.00 0.00 C ATOM 296 O LEU A 20 -6.675 -0.218 5.183 1.00 0.00 O ATOM 297 CB LEU A 20 -5.783 2.390 3.293 1.00 0.00 C ATOM 298 CG LEU A 20 -6.029 3.536 2.302 1.00 0.00 C ATOM 299 CD1 LEU A 20 -7.118 3.169 1.308 1.00 0.00 C ATOM 300 CD2 LEU A 20 -6.374 4.819 3.026 1.00 0.00 C ATOM 0 H LEU A 20 -6.456 2.061 6.030 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.903 2.137 3.460 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.064 2.731 4.038 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.316 1.566 2.754 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.105 3.701 1.748 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.274 3.997 0.617 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.818 2.282 0.750 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.045 2.964 1.843 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.543 5.613 2.299 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.277 4.671 3.618 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.551 5.098 3.684 1.00 0.00 H new ATOM 312 N LYS A 21 -7.190 -0.312 3.012 1.00 0.00 N ATOM 313 CA LYS A 21 -7.151 -1.749 2.957 1.00 0.00 C ATOM 314 C LYS A 21 -6.436 -2.204 1.716 1.00 0.00 C ATOM 315 O LYS A 21 -6.522 -1.573 0.668 1.00 0.00 O ATOM 316 CB LYS A 21 -8.564 -2.310 2.974 1.00 0.00 C ATOM 317 CG LYS A 21 -9.309 -1.988 4.238 1.00 0.00 C ATOM 318 CD LYS A 21 -10.799 -2.255 4.120 1.00 0.00 C ATOM 319 CE LYS A 21 -11.111 -3.735 4.017 1.00 0.00 C ATOM 320 NZ LYS A 21 -12.572 -3.987 4.062 1.00 0.00 N ATOM 0 H LYS A 21 -7.424 0.135 2.126 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.611 -2.117 3.829 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.117 -1.913 2.122 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.521 -3.392 2.850 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.901 -2.580 5.057 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.150 -0.940 4.492 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.311 -1.837 4.987 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.190 -1.741 3.242 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.701 -4.131 3.088 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.623 -4.268 4.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.750 -5.009 3.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.958 -3.631 4.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.033 -3.498 3.269 1.00 0.00 H new ATOM 334 N VAL A 22 -5.731 -3.291 1.823 1.00 0.00 N ATOM 335 CA VAL A 22 -5.023 -3.843 0.689 1.00 0.00 C ATOM 336 C VAL A 22 -5.421 -5.284 0.485 1.00 0.00 C ATOM 337 O VAL A 22 -5.197 -6.137 1.349 1.00 0.00 O ATOM 338 CB VAL A 22 -3.488 -3.747 0.836 1.00 0.00 C ATOM 339 CG1 VAL A 22 -2.809 -4.470 -0.300 1.00 0.00 C ATOM 340 CG2 VAL A 22 -3.040 -2.299 0.862 1.00 0.00 C ATOM 0 H VAL A 22 -5.626 -3.822 2.688 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.303 -3.246 -0.179 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.207 -4.216 1.779 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.728 -4.395 -0.185 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.103 -5.520 -0.291 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.105 -4.019 -1.247 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.956 -2.255 0.966 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.335 -1.810 -0.066 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.506 -1.789 1.705 1.00 0.00 H new ATOM 350 N ALA A 23 -6.025 -5.549 -0.643 1.00 0.00 N ATOM 351 CA ALA A 23 -6.468 -6.874 -0.978 1.00 0.00 C ATOM 352 C ALA A 23 -5.404 -7.587 -1.766 1.00 0.00 C ATOM 353 O ALA A 23 -4.988 -7.135 -2.836 1.00 0.00 O ATOM 354 CB ALA A 23 -7.766 -6.824 -1.757 1.00 0.00 C ATOM 0 H ALA A 23 -6.224 -4.848 -1.357 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.650 -7.425 -0.055 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.084 -7.838 -2.000 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.533 -6.338 -1.154 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.616 -6.260 -2.678 1.00 0.00 H new ATOM 360 N GLY A 24 -4.980 -8.707 -1.262 1.00 0.00 N ATOM 361 CA GLY A 24 -3.954 -9.450 -1.908 1.00 0.00 C ATOM 362 C GLY A 24 -4.544 -10.364 -2.945 1.00 0.00 C ATOM 363 O GLY A 24 -5.736 -10.688 -2.888 1.00 0.00 O ATOM 0 H GLY A 24 -5.334 -9.123 -0.401 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.243 -8.769 -2.376 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.400 -10.033 -1.172 1.00 0.00 H new ATOM 367 N GLN A 25 -3.735 -10.797 -3.889 1.00 0.00 N ATOM 368 CA GLN A 25 -4.195 -11.689 -4.953 1.00 0.00 C ATOM 369 C GLN A 25 -4.647 -13.048 -4.401 1.00 0.00 C ATOM 370 O GLN A 25 -5.264 -13.844 -5.101 1.00 0.00 O ATOM 371 CB GLN A 25 -3.100 -11.853 -6.024 1.00 0.00 C ATOM 372 CG GLN A 25 -1.737 -12.262 -5.473 1.00 0.00 C ATOM 373 CD GLN A 25 -1.657 -13.728 -5.107 1.00 0.00 C ATOM 374 OE1 GLN A 25 -2.269 -14.574 -5.747 1.00 0.00 O ATOM 375 NE2 GLN A 25 -0.929 -14.031 -4.053 1.00 0.00 N ATOM 0 H GLN A 25 -2.748 -10.548 -3.948 1.00 0.00 H new ATOM 0 HA GLN A 25 -5.068 -11.233 -5.421 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.425 -12.601 -6.748 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.993 -10.912 -6.564 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.970 -12.037 -6.214 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.514 -11.661 -4.591 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.434 -13.297 -3.547 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -0.860 -15.000 -3.743 1.00 0.00 H new ATOM 384 N ASP A 26 -4.336 -13.306 -3.135 1.00 0.00 N ATOM 385 CA ASP A 26 -4.740 -14.546 -2.488 1.00 0.00 C ATOM 386 C ASP A 26 -6.195 -14.452 -2.038 1.00 0.00 C ATOM 387 O ASP A 26 -6.842 -15.456 -1.754 1.00 0.00 O ATOM 388 CB ASP A 26 -3.835 -14.846 -1.283 1.00 0.00 C ATOM 389 CG ASP A 26 -4.102 -16.212 -0.670 1.00 0.00 C ATOM 390 OD1 ASP A 26 -3.481 -17.200 -1.117 1.00 0.00 O ATOM 391 OD2 ASP A 26 -4.922 -16.304 0.268 1.00 0.00 O ATOM 0 H ASP A 26 -3.805 -12.672 -2.538 1.00 0.00 H new ATOM 0 HA ASP A 26 -4.641 -15.359 -3.207 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.792 -14.791 -1.595 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -3.982 -14.077 -0.524 1.00 0.00 H new ATOM 396 N GLY A 27 -6.725 -13.232 -2.002 1.00 0.00 N ATOM 397 CA GLY A 27 -8.102 -13.038 -1.579 1.00 0.00 C ATOM 398 C GLY A 27 -8.220 -12.510 -0.159 1.00 0.00 C ATOM 399 O GLY A 27 -9.318 -12.390 0.378 1.00 0.00 O ATOM 0 H GLY A 27 -6.229 -12.378 -2.257 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.591 -12.342 -2.261 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.636 -13.985 -1.654 1.00 0.00 H new ATOM 403 N SER A 28 -7.093 -12.206 0.451 1.00 0.00 N ATOM 404 CA SER A 28 -7.076 -11.701 1.807 1.00 0.00 C ATOM 405 C SER A 28 -6.924 -10.209 1.776 1.00 0.00 C ATOM 406 O SER A 28 -6.481 -9.645 0.779 1.00 0.00 O ATOM 407 CB SER A 28 -5.932 -12.335 2.601 1.00 0.00 C ATOM 408 OG SER A 28 -6.049 -12.069 3.991 1.00 0.00 O ATOM 0 H SER A 28 -6.171 -12.301 0.025 1.00 0.00 H new ATOM 0 HA SER A 28 -8.014 -11.960 2.298 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.927 -13.412 2.435 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.979 -11.952 2.236 1.00 0.00 H new ATOM 0 HG SER A 28 -5.304 -12.490 4.468 1.00 0.00 H new ATOM 414 N VAL A 29 -7.283 -9.559 2.844 1.00 0.00 N ATOM 415 CA VAL A 29 -7.191 -8.127 2.886 1.00 0.00 C ATOM 416 C VAL A 29 -6.723 -7.637 4.252 1.00 0.00 C ATOM 417 O VAL A 29 -7.152 -8.135 5.297 1.00 0.00 O ATOM 418 CB VAL A 29 -8.540 -7.451 2.512 1.00 0.00 C ATOM 419 CG1 VAL A 29 -9.583 -7.650 3.604 1.00 0.00 C ATOM 420 CG2 VAL A 29 -8.347 -5.971 2.227 1.00 0.00 C ATOM 0 H VAL A 29 -7.641 -9.994 3.694 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.448 -7.840 2.142 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.905 -7.932 1.605 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.514 -7.165 3.311 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -9.759 -8.716 3.749 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.223 -7.212 4.535 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -9.306 -5.522 1.968 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.944 -5.480 3.112 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.653 -5.848 1.396 1.00 0.00 H new ATOM 430 N VAL A 30 -5.824 -6.681 4.245 1.00 0.00 N ATOM 431 CA VAL A 30 -5.337 -6.086 5.471 1.00 0.00 C ATOM 432 C VAL A 30 -5.994 -4.730 5.698 1.00 0.00 C ATOM 433 O VAL A 30 -6.240 -3.982 4.750 1.00 0.00 O ATOM 434 CB VAL A 30 -3.798 -5.909 5.444 1.00 0.00 C ATOM 435 CG1 VAL A 30 -3.371 -5.032 4.281 1.00 0.00 C ATOM 436 CG2 VAL A 30 -3.300 -5.330 6.757 1.00 0.00 C ATOM 0 H VAL A 30 -5.411 -6.295 3.396 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.594 -6.762 6.287 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.350 -6.894 5.309 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.286 -4.924 4.286 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.686 -5.491 3.344 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.834 -4.050 4.377 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.217 -5.214 6.716 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.763 -4.358 6.925 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.562 -6.002 7.574 1.00 0.00 H new ATOM 446 N GLN A 31 -6.301 -4.419 6.945 1.00 0.00 N ATOM 447 CA GLN A 31 -6.871 -3.146 7.297 1.00 0.00 C ATOM 448 C GLN A 31 -5.879 -2.372 8.145 1.00 0.00 C ATOM 449 O GLN A 31 -5.399 -2.857 9.170 1.00 0.00 O ATOM 450 CB GLN A 31 -8.163 -3.354 8.045 1.00 0.00 C ATOM 451 CG GLN A 31 -9.043 -4.400 7.392 1.00 0.00 C ATOM 452 CD GLN A 31 -10.393 -4.502 8.018 1.00 0.00 C ATOM 453 OE1 GLN A 31 -10.616 -5.288 8.935 1.00 0.00 O ATOM 454 NE2 GLN A 31 -11.305 -3.704 7.535 1.00 0.00 N ATOM 0 H GLN A 31 -6.159 -5.047 7.736 1.00 0.00 H new ATOM 0 HA GLN A 31 -7.086 -2.575 6.394 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -7.943 -3.655 9.069 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.705 -2.410 8.100 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.156 -4.162 6.334 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.548 -5.370 7.449 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -11.074 -3.067 6.772 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.249 -3.717 7.920 1.00 0.00 H new ATOM 463 N PHE A 32 -5.566 -1.184 7.715 1.00 0.00 N ATOM 464 CA PHE A 32 -4.549 -0.370 8.365 1.00 0.00 C ATOM 465 C PHE A 32 -4.886 1.106 8.290 1.00 0.00 C ATOM 466 O PHE A 32 -5.781 1.518 7.557 1.00 0.00 O ATOM 467 CB PHE A 32 -3.175 -0.629 7.736 1.00 0.00 C ATOM 468 CG PHE A 32 -3.158 -0.445 6.244 1.00 0.00 C ATOM 469 CD1 PHE A 32 -3.736 -1.390 5.412 1.00 0.00 C ATOM 470 CD2 PHE A 32 -2.584 0.675 5.675 1.00 0.00 C ATOM 471 CE1 PHE A 32 -3.742 -1.223 4.053 1.00 0.00 C ATOM 472 CE2 PHE A 32 -2.588 0.848 4.318 1.00 0.00 C ATOM 473 CZ PHE A 32 -3.168 -0.101 3.502 1.00 0.00 C ATOM 0 H PHE A 32 -6.001 -0.742 6.905 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.520 -0.655 9.417 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.445 0.044 8.186 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.861 -1.645 7.973 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -4.189 -2.271 5.842 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -2.127 1.422 6.308 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.195 -1.969 3.417 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.137 1.728 3.885 1.00 0.00 H new ATOM 0 HZ PHE A 32 -3.171 0.037 2.431 1.00 0.00 H new ATOM 483 N LYS A 33 -4.168 1.902 9.051 1.00 0.00 N ATOM 484 CA LYS A 33 -4.421 3.324 9.111 1.00 0.00 C ATOM 485 C LYS A 33 -3.243 4.120 8.553 1.00 0.00 C ATOM 486 O LYS A 33 -2.085 3.848 8.866 1.00 0.00 O ATOM 487 CB LYS A 33 -4.734 3.727 10.550 1.00 0.00 C ATOM 488 CG LYS A 33 -5.749 2.805 11.201 1.00 0.00 C ATOM 489 CD LYS A 33 -6.271 3.343 12.522 1.00 0.00 C ATOM 490 CE LYS A 33 -5.183 3.410 13.583 1.00 0.00 C ATOM 491 NZ LYS A 33 -5.748 3.678 14.933 1.00 0.00 N ATOM 0 H LYS A 33 -3.399 1.585 9.641 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.284 3.555 8.487 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.814 3.721 11.135 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.114 4.749 10.564 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.586 2.654 10.519 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.293 1.829 11.366 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.688 4.338 12.368 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.083 2.708 12.876 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.632 2.470 13.599 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.470 4.193 13.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.977 3.717 15.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.253 4.587 14.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.409 2.917 15.190 1.00 0.00 H new ATOM 505 N ILE A 34 -3.544 5.102 7.716 1.00 0.00 N ATOM 506 CA ILE A 34 -2.525 5.934 7.091 1.00 0.00 C ATOM 507 C ILE A 34 -3.036 7.372 6.944 1.00 0.00 C ATOM 508 O ILE A 34 -4.242 7.608 6.826 1.00 0.00 O ATOM 509 CB ILE A 34 -2.117 5.367 5.697 1.00 0.00 C ATOM 510 CG1 ILE A 34 -1.040 6.240 5.039 1.00 0.00 C ATOM 511 CG2 ILE A 34 -3.335 5.243 4.793 1.00 0.00 C ATOM 512 CD1 ILE A 34 -0.534 5.701 3.717 1.00 0.00 C ATOM 0 H ILE A 34 -4.499 5.345 7.451 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.643 5.931 7.732 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.696 4.373 5.847 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.444 7.240 4.881 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.199 6.340 5.725 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.031 4.846 3.825 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.060 4.569 5.250 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.788 6.225 4.656 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.224 6.374 3.316 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.099 4.713 3.869 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.363 5.627 3.013 1.00 0.00 H new ATOM 524 N LYS A 35 -2.134 8.341 6.977 1.00 0.00 N ATOM 525 CA LYS A 35 -2.528 9.732 6.839 1.00 0.00 C ATOM 526 C LYS A 35 -2.731 10.087 5.390 1.00 0.00 C ATOM 527 O LYS A 35 -2.279 9.383 4.498 1.00 0.00 O ATOM 528 CB LYS A 35 -1.500 10.665 7.437 1.00 0.00 C ATOM 529 CG LYS A 35 -1.187 10.411 8.894 1.00 0.00 C ATOM 530 CD LYS A 35 -1.072 11.736 9.653 1.00 0.00 C ATOM 531 CE LYS A 35 -0.121 12.709 8.948 1.00 0.00 C ATOM 532 NZ LYS A 35 -0.140 14.065 9.558 1.00 0.00 N ATOM 0 H LYS A 35 -1.132 8.191 7.097 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.466 9.852 7.381 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.578 10.584 6.862 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.854 11.690 7.329 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.969 9.796 9.339 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.255 9.853 8.981 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.058 12.191 9.743 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.715 11.546 10.665 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.893 12.312 8.985 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.396 12.783 7.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.519 14.685 9.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.101 14.458 9.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.149 14.001 10.555 1.00 0.00 H new ATOM 546 N ARG A 36 -3.397 11.200 5.151 1.00 0.00 N ATOM 547 CA ARG A 36 -3.678 11.656 3.803 1.00 0.00 C ATOM 548 C ARG A 36 -2.403 12.136 3.131 1.00 0.00 C ATOM 549 O ARG A 36 -2.156 11.855 1.959 1.00 0.00 O ATOM 550 CB ARG A 36 -4.702 12.802 3.831 1.00 0.00 C ATOM 551 CG ARG A 36 -5.884 12.574 4.764 1.00 0.00 C ATOM 552 CD ARG A 36 -6.544 11.228 4.522 1.00 0.00 C ATOM 553 NE ARG A 36 -6.994 11.066 3.137 1.00 0.00 N ATOM 554 CZ ARG A 36 -8.264 11.207 2.726 1.00 0.00 C ATOM 555 NH1 ARG A 36 -9.213 11.580 3.580 1.00 0.00 N ATOM 556 NH2 ARG A 36 -8.579 10.979 1.455 1.00 0.00 N ATOM 0 H ARG A 36 -3.758 11.812 5.883 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.089 10.820 3.237 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.193 13.719 4.128 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.079 12.960 2.820 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.546 12.632 5.799 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.617 13.368 4.623 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.841 10.432 4.768 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.396 11.119 5.193 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.292 10.829 2.435 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.978 11.761 4.556 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.175 11.685 3.259 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.856 10.697 0.793 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.544 11.086 1.142 1.00 0.00 H new ATOM 570 N HIS A 37 -1.574 12.830 3.892 1.00 0.00 N ATOM 571 CA HIS A 37 -0.345 13.404 3.369 1.00 0.00 C ATOM 572 C HIS A 37 0.820 12.430 3.548 1.00 0.00 C ATOM 573 O HIS A 37 1.973 12.749 3.271 1.00 0.00 O ATOM 574 CB HIS A 37 -0.052 14.722 4.091 1.00 0.00 C ATOM 575 CG HIS A 37 0.922 15.609 3.381 1.00 0.00 C ATOM 576 ND1 HIS A 37 2.234 15.753 3.769 1.00 0.00 N ATOM 577 CD2 HIS A 37 0.759 16.417 2.314 1.00 0.00 C ATOM 578 CE1 HIS A 37 2.835 16.610 2.970 1.00 0.00 C ATOM 579 NE2 HIS A 37 1.961 17.029 2.078 1.00 0.00 N ATOM 0 H HIS A 37 -1.732 13.011 4.883 1.00 0.00 H new ATOM 0 HA HIS A 37 -0.466 13.596 2.303 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -0.988 15.264 4.227 1.00 0.00 H new ATOM 0 HB3 HIS A 37 0.335 14.500 5.086 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -0.151 16.556 1.750 1.00 0.00 H new ATOM 0 HE1 HIS A 37 3.868 16.917 3.035 1.00 0.00 H new ATOM 0 HE2 HIS A 37 2.149 17.700 1.333 1.00 0.00 H new ATOM 588 N THR A 38 0.512 11.241 4.007 1.00 0.00 N ATOM 589 CA THR A 38 1.511 10.225 4.225 1.00 0.00 C ATOM 590 C THR A 38 1.686 9.357 2.976 1.00 0.00 C ATOM 591 O THR A 38 0.713 8.878 2.406 1.00 0.00 O ATOM 592 CB THR A 38 1.158 9.354 5.453 1.00 0.00 C ATOM 593 OG1 THR A 38 1.349 10.116 6.651 1.00 0.00 O ATOM 594 CG2 THR A 38 2.015 8.101 5.502 1.00 0.00 C ATOM 0 H THR A 38 -0.438 10.951 4.240 1.00 0.00 H new ATOM 0 HA THR A 38 2.458 10.724 4.428 1.00 0.00 H new ATOM 0 HB THR A 38 0.115 9.050 5.369 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.280 9.525 7.429 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.744 7.509 6.376 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.851 7.512 4.600 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.066 8.382 5.566 1.00 0.00 H new ATOM 602 N PRO A 39 2.942 9.159 2.536 1.00 0.00 N ATOM 603 CA PRO A 39 3.255 8.382 1.329 1.00 0.00 C ATOM 604 C PRO A 39 2.843 6.916 1.433 1.00 0.00 C ATOM 605 O PRO A 39 2.859 6.315 2.518 1.00 0.00 O ATOM 606 CB PRO A 39 4.780 8.491 1.214 1.00 0.00 C ATOM 607 CG PRO A 39 5.243 8.834 2.584 1.00 0.00 C ATOM 608 CD PRO A 39 4.161 9.677 3.182 1.00 0.00 C ATOM 0 HA PRO A 39 2.712 8.764 0.465 1.00 0.00 H new ATOM 0 HB2 PRO A 39 5.218 7.554 0.872 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.068 9.259 0.496 1.00 0.00 H new ATOM 0 HG2 PRO A 39 5.410 7.935 3.177 1.00 0.00 H new ATOM 0 HG3 PRO A 39 6.188 9.376 2.553 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.119 9.571 4.266 1.00 0.00 H new ATOM 0 HD3 PRO A 39 4.311 10.736 2.971 1.00 0.00 H new ATOM 616 N LEU A 40 2.491 6.333 0.295 1.00 0.00 N ATOM 617 CA LEU A 40 2.089 4.933 0.200 1.00 0.00 C ATOM 618 C LEU A 40 3.226 3.986 0.569 1.00 0.00 C ATOM 619 O LEU A 40 3.009 2.793 0.739 1.00 0.00 O ATOM 620 CB LEU A 40 1.597 4.624 -1.215 1.00 0.00 C ATOM 621 CG LEU A 40 0.331 5.358 -1.651 1.00 0.00 C ATOM 622 CD1 LEU A 40 0.091 5.176 -3.134 1.00 0.00 C ATOM 623 CD2 LEU A 40 -0.871 4.882 -0.863 1.00 0.00 C ATOM 0 H LEU A 40 2.476 6.823 -0.599 1.00 0.00 H new ATOM 0 HA LEU A 40 1.281 4.776 0.914 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.395 4.865 -1.918 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.418 3.552 -1.291 1.00 0.00 H new ATOM 0 HG LEU A 40 0.474 6.420 -1.449 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.816 5.707 -3.424 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.939 5.575 -3.691 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.023 4.115 -3.357 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.759 5.421 -1.193 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.013 3.814 -1.026 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.707 5.068 0.198 1.00 0.00 H new ATOM 635 N SER A 41 4.445 4.510 0.663 1.00 0.00 N ATOM 636 CA SER A 41 5.608 3.704 1.019 1.00 0.00 C ATOM 637 C SER A 41 5.361 2.927 2.316 1.00 0.00 C ATOM 638 O SER A 41 5.684 1.735 2.414 1.00 0.00 O ATOM 639 CB SER A 41 6.857 4.588 1.153 1.00 0.00 C ATOM 640 OG SER A 41 8.034 3.800 1.260 1.00 0.00 O ATOM 0 H SER A 41 4.653 5.495 0.497 1.00 0.00 H new ATOM 0 HA SER A 41 5.776 2.984 0.218 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.934 5.247 0.288 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.762 5.226 2.032 1.00 0.00 H new ATOM 0 HG SER A 41 8.449 3.711 0.377 1.00 0.00 H new ATOM 672 N LEU A 43 2.369 2.328 3.531 1.00 0.00 N ATOM 673 CA LEU A 43 1.212 1.485 3.222 1.00 0.00 C ATOM 674 C LEU A 43 1.668 0.161 2.615 1.00 0.00 C ATOM 675 O LEU A 43 1.254 -0.920 3.047 1.00 0.00 O ATOM 676 CB LEU A 43 0.251 2.242 2.263 1.00 0.00 C ATOM 677 CG LEU A 43 -0.828 1.408 1.539 1.00 0.00 C ATOM 678 CD1 LEU A 43 -2.023 2.273 1.189 1.00 0.00 C ATOM 679 CD2 LEU A 43 -0.269 0.797 0.262 1.00 0.00 C ATOM 0 HA LEU A 43 0.673 1.261 4.143 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.252 3.021 2.836 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.855 2.743 1.506 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.140 0.611 2.214 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.773 1.668 0.679 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.451 2.689 2.101 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.705 3.085 0.534 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.046 0.214 -0.232 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.068 1.591 -0.404 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.572 0.148 0.507 1.00 0.00 H new ATOM 691 N MET A 44 2.531 0.254 1.612 1.00 0.00 N ATOM 692 CA MET A 44 3.071 -0.914 0.944 1.00 0.00 C ATOM 693 C MET A 44 3.817 -1.779 1.923 1.00 0.00 C ATOM 694 O MET A 44 3.615 -2.989 1.980 1.00 0.00 O ATOM 695 CB MET A 44 3.993 -0.491 -0.198 1.00 0.00 C ATOM 696 CG MET A 44 3.265 -0.165 -1.487 1.00 0.00 C ATOM 697 SD MET A 44 4.233 0.855 -2.593 1.00 0.00 S ATOM 698 CE MET A 44 3.106 1.010 -3.968 1.00 0.00 C ATOM 0 H MET A 44 2.873 1.141 1.242 1.00 0.00 H new ATOM 0 HA MET A 44 2.244 -1.491 0.530 1.00 0.00 H new ATOM 0 HB2 MET A 44 4.566 0.382 0.115 1.00 0.00 H new ATOM 0 HB3 MET A 44 4.709 -1.290 -0.389 1.00 0.00 H new ATOM 0 HG2 MET A 44 3.001 -1.093 -1.994 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.332 0.347 -1.252 1.00 0.00 H new ATOM 0 HE1 MET A 44 3.590 1.561 -4.775 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.826 0.018 -4.323 1.00 0.00 H new ATOM 0 HE3 MET A 44 2.213 1.546 -3.648 1.00 0.00 H new ATOM 708 N LYS A 45 4.666 -1.158 2.718 1.00 0.00 N ATOM 709 CA LYS A 45 5.436 -1.872 3.711 1.00 0.00 C ATOM 710 C LYS A 45 4.516 -2.514 4.752 1.00 0.00 C ATOM 711 O LYS A 45 4.705 -3.660 5.119 1.00 0.00 O ATOM 712 CB LYS A 45 6.459 -0.933 4.372 1.00 0.00 C ATOM 713 CG LYS A 45 7.250 -1.555 5.519 1.00 0.00 C ATOM 714 CD LYS A 45 8.028 -2.799 5.094 1.00 0.00 C ATOM 715 CE LYS A 45 9.183 -2.468 4.163 1.00 0.00 C ATOM 716 NZ LYS A 45 10.082 -3.634 3.973 1.00 0.00 N ATOM 0 H LYS A 45 4.839 -0.153 2.693 1.00 0.00 H new ATOM 0 HA LYS A 45 5.984 -2.674 3.216 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.159 -0.588 3.611 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.935 -0.053 4.746 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.945 -0.816 5.918 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.566 -1.818 6.326 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.412 -3.305 5.980 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.352 -3.495 4.597 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.792 -2.148 3.197 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.751 -1.632 4.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.859 -3.373 3.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.474 -3.924 4.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.544 -4.423 3.561 1.00 0.00 H new ATOM 730 N ALA A 46 3.488 -1.785 5.183 1.00 0.00 N ATOM 731 CA ALA A 46 2.552 -2.284 6.186 1.00 0.00 C ATOM 732 C ALA A 46 1.920 -3.593 5.737 1.00 0.00 C ATOM 733 O ALA A 46 1.902 -4.577 6.483 1.00 0.00 O ATOM 734 CB ALA A 46 1.477 -1.253 6.480 1.00 0.00 C ATOM 0 H ALA A 46 3.283 -0.843 4.851 1.00 0.00 H new ATOM 0 HA ALA A 46 3.112 -2.470 7.102 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.791 -1.646 7.230 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.941 -0.341 6.855 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.927 -1.031 5.566 1.00 0.00 H new ATOM 740 N TYR A 47 1.405 -3.615 4.508 1.00 0.00 N ATOM 741 CA TYR A 47 0.805 -4.820 3.956 1.00 0.00 C ATOM 742 C TYR A 47 1.838 -5.932 3.842 1.00 0.00 C ATOM 743 O TYR A 47 1.553 -7.107 4.132 1.00 0.00 O ATOM 744 CB TYR A 47 0.184 -4.549 2.576 1.00 0.00 C ATOM 745 CG TYR A 47 -0.091 -5.815 1.770 1.00 0.00 C ATOM 746 CD1 TYR A 47 -1.254 -6.550 1.961 1.00 0.00 C ATOM 747 CD2 TYR A 47 0.822 -6.273 0.829 1.00 0.00 C ATOM 748 CE1 TYR A 47 -1.498 -7.704 1.237 1.00 0.00 C ATOM 749 CE2 TYR A 47 0.584 -7.424 0.103 1.00 0.00 C ATOM 750 CZ TYR A 47 -0.577 -8.136 0.310 1.00 0.00 C ATOM 751 OH TYR A 47 -0.815 -9.287 -0.412 1.00 0.00 O ATOM 0 H TYR A 47 1.393 -2.811 3.880 1.00 0.00 H new ATOM 0 HA TYR A 47 0.015 -5.135 4.638 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.750 -4.003 2.708 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.853 -3.904 2.006 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.980 -6.215 2.687 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.734 -5.720 0.662 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.408 -8.263 1.399 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.306 -7.765 -0.625 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.067 -9.450 -1.024 1.00 0.00 H new ATOM 761 N CYS A 48 3.045 -5.568 3.441 1.00 0.00 N ATOM 762 CA CYS A 48 4.101 -6.541 3.239 1.00 0.00 C ATOM 763 C CYS A 48 4.536 -7.159 4.553 1.00 0.00 C ATOM 764 O CYS A 48 4.860 -8.331 4.612 1.00 0.00 O ATOM 765 CB CYS A 48 5.285 -5.901 2.527 1.00 0.00 C ATOM 766 SG CYS A 48 4.899 -5.294 0.877 1.00 0.00 S ATOM 0 H CYS A 48 3.316 -4.604 3.249 1.00 0.00 H new ATOM 0 HA CYS A 48 3.708 -7.340 2.610 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.656 -5.073 3.131 1.00 0.00 H new ATOM 0 HB3 CYS A 48 6.092 -6.630 2.456 1.00 0.00 H new ATOM 0 HG CYS A 48 4.098 -4.274 0.966 1.00 0.00 H new ATOM 772 N GLU A 49 4.520 -6.375 5.609 1.00 0.00 N ATOM 773 CA GLU A 49 4.897 -6.862 6.930 1.00 0.00 C ATOM 774 C GLU A 49 3.838 -7.813 7.470 1.00 0.00 C ATOM 775 O GLU A 49 4.143 -8.769 8.178 1.00 0.00 O ATOM 776 CB GLU A 49 5.082 -5.692 7.881 1.00 0.00 C ATOM 777 CG GLU A 49 6.145 -4.715 7.430 1.00 0.00 C ATOM 778 CD GLU A 49 7.546 -5.274 7.536 1.00 0.00 C ATOM 779 OE1 GLU A 49 8.130 -5.215 8.630 1.00 0.00 O ATOM 780 OE2 GLU A 49 8.079 -5.768 6.515 1.00 0.00 O ATOM 0 H GLU A 49 4.249 -5.392 5.584 1.00 0.00 H new ATOM 0 HA GLU A 49 5.839 -7.405 6.846 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.134 -5.164 7.985 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.344 -6.073 8.868 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.952 -4.428 6.396 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.075 -3.808 8.031 1.00 0.00 H new ATOM 787 N ARG A 50 2.585 -7.546 7.135 1.00 0.00 N ATOM 788 CA ARG A 50 1.473 -8.390 7.561 1.00 0.00 C ATOM 789 C ARG A 50 1.579 -9.768 6.931 1.00 0.00 C ATOM 790 O ARG A 50 1.482 -10.787 7.607 1.00 0.00 O ATOM 791 CB ARG A 50 0.145 -7.750 7.166 1.00 0.00 C ATOM 792 CG ARG A 50 -0.147 -6.438 7.867 1.00 0.00 C ATOM 793 CD ARG A 50 -0.638 -6.654 9.286 1.00 0.00 C ATOM 794 NE ARG A 50 -0.963 -5.389 9.948 1.00 0.00 N ATOM 795 CZ ARG A 50 -2.074 -5.167 10.661 1.00 0.00 C ATOM 796 NH1 ARG A 50 -2.994 -6.120 10.793 1.00 0.00 N ATOM 797 NH2 ARG A 50 -2.262 -3.992 11.245 1.00 0.00 N ATOM 0 H ARG A 50 2.309 -6.746 6.565 1.00 0.00 H new ATOM 0 HA ARG A 50 1.516 -8.491 8.645 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.142 -7.582 6.089 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.661 -8.451 7.381 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.755 -5.826 7.884 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.897 -5.884 7.303 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.520 -7.294 9.272 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.127 -7.178 9.859 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.296 -4.623 9.860 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.855 -7.028 10.349 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.838 -5.942 11.338 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.560 -3.258 11.151 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.108 -3.822 11.788 1.00 0.00 H new ATOM 811 N GLN A 51 1.791 -9.796 5.624 1.00 0.00 N ATOM 812 CA GLN A 51 1.893 -11.048 4.887 1.00 0.00 C ATOM 813 C GLN A 51 3.301 -11.648 4.982 1.00 0.00 C ATOM 814 O GLN A 51 3.495 -12.842 4.758 1.00 0.00 O ATOM 815 CB GLN A 51 1.501 -10.837 3.420 1.00 0.00 C ATOM 816 CG GLN A 51 0.057 -11.222 3.091 1.00 0.00 C ATOM 817 CD GLN A 51 -0.994 -10.406 3.836 1.00 0.00 C ATOM 818 OE1 GLN A 51 -2.062 -10.914 4.163 1.00 0.00 O ATOM 819 NE2 GLN A 51 -0.720 -9.135 4.077 1.00 0.00 N ATOM 0 H GLN A 51 1.896 -8.961 5.048 1.00 0.00 H new ATOM 0 HA GLN A 51 1.200 -11.756 5.342 1.00 0.00 H new ATOM 0 HB2 GLN A 51 1.652 -9.789 3.163 1.00 0.00 H new ATOM 0 HB3 GLN A 51 2.172 -11.420 2.789 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.103 -11.106 2.019 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.087 -12.277 3.323 1.00 0.00 H new ATOM 0 HE21 GLN A 51 0.178 -8.744 3.792 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.406 -8.546 4.548 1.00 0.00 H new ATOM 828 N GLY A 52 4.278 -10.819 5.304 1.00 0.00 N ATOM 829 CA GLY A 52 5.650 -11.284 5.427 1.00 0.00 C ATOM 830 C GLY A 52 6.342 -11.405 4.081 1.00 0.00 C ATOM 831 O GLY A 52 7.394 -12.034 3.958 1.00 0.00 O ATOM 0 H GLY A 52 4.149 -9.823 5.485 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.209 -10.595 6.060 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.659 -12.253 5.926 1.00 0.00 H new ATOM 835 N LEU A 53 5.743 -10.816 3.062 1.00 0.00 N ATOM 836 CA LEU A 53 6.283 -10.860 1.715 1.00 0.00 C ATOM 837 C LEU A 53 7.114 -9.616 1.382 1.00 0.00 C ATOM 838 O LEU A 53 7.252 -8.698 2.194 1.00 0.00 O ATOM 839 CB LEU A 53 5.162 -11.092 0.676 1.00 0.00 C ATOM 840 CG LEU A 53 3.917 -10.198 0.785 1.00 0.00 C ATOM 841 CD1 LEU A 53 4.229 -8.774 0.376 1.00 0.00 C ATOM 842 CD2 LEU A 53 2.785 -10.760 -0.060 1.00 0.00 C ATOM 0 H LEU A 53 4.870 -10.295 3.144 1.00 0.00 H new ATOM 0 HA LEU A 53 6.964 -11.710 1.668 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.588 -10.960 -0.318 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.841 -12.131 0.750 1.00 0.00 H new ATOM 0 HG LEU A 53 3.601 -10.185 1.828 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.329 -8.165 0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.005 -8.370 1.026 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.578 -8.760 -0.657 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.911 -10.115 0.028 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.098 -10.806 -1.103 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.534 -11.762 0.288 1.00 0.00 H new ATOM 854 N SER A 54 7.667 -9.593 0.181 1.00 0.00 N ATOM 855 CA SER A 54 8.520 -8.507 -0.263 1.00 0.00 C ATOM 856 C SER A 54 7.744 -7.540 -1.162 1.00 0.00 C ATOM 857 O SER A 54 7.100 -7.958 -2.123 1.00 0.00 O ATOM 858 CB SER A 54 9.712 -9.083 -1.018 1.00 0.00 C ATOM 859 OG SER A 54 10.508 -9.883 -0.166 1.00 0.00 O ATOM 0 H SER A 54 7.536 -10.328 -0.513 1.00 0.00 H new ATOM 0 HA SER A 54 8.870 -7.952 0.607 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.361 -9.679 -1.860 1.00 0.00 H new ATOM 0 HB3 SER A 54 10.313 -8.272 -1.430 1.00 0.00 H new ATOM 0 HG SER A 54 11.266 -10.244 -0.671 1.00 0.00 H new ATOM 865 N MET A 55 7.821 -6.239 -0.856 1.00 0.00 N ATOM 866 CA MET A 55 7.121 -5.204 -1.643 1.00 0.00 C ATOM 867 C MET A 55 7.626 -5.138 -3.083 1.00 0.00 C ATOM 868 O MET A 55 6.918 -4.706 -3.982 1.00 0.00 O ATOM 869 CB MET A 55 7.233 -3.814 -0.981 1.00 0.00 C ATOM 870 CG MET A 55 8.646 -3.417 -0.565 1.00 0.00 C ATOM 871 SD MET A 55 8.864 -1.630 -0.420 1.00 0.00 S ATOM 872 CE MET A 55 7.538 -1.204 0.703 1.00 0.00 C ATOM 0 H MET A 55 8.359 -5.873 -0.071 1.00 0.00 H new ATOM 0 HA MET A 55 6.071 -5.495 -1.666 1.00 0.00 H new ATOM 0 HB2 MET A 55 6.849 -3.065 -1.674 1.00 0.00 H new ATOM 0 HB3 MET A 55 6.591 -3.793 -0.101 1.00 0.00 H new ATOM 0 HG2 MET A 55 8.882 -3.885 0.391 1.00 0.00 H new ATOM 0 HG3 MET A 55 9.356 -3.806 -1.295 1.00 0.00 H new ATOM 0 HE1 MET A 55 7.898 -0.478 1.432 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.709 -0.773 0.141 1.00 0.00 H new ATOM 0 HE3 MET A 55 7.198 -2.101 1.221 1.00 0.00 H new ATOM 882 N ARG A 56 8.850 -5.586 -3.303 1.00 0.00 N ATOM 883 CA ARG A 56 9.437 -5.566 -4.637 1.00 0.00 C ATOM 884 C ARG A 56 8.918 -6.724 -5.484 1.00 0.00 C ATOM 885 O ARG A 56 9.123 -6.773 -6.690 1.00 0.00 O ATOM 886 CB ARG A 56 10.962 -5.617 -4.542 1.00 0.00 C ATOM 887 CG ARG A 56 11.507 -6.888 -3.925 1.00 0.00 C ATOM 888 CD ARG A 56 13.013 -6.821 -3.778 1.00 0.00 C ATOM 889 NE ARG A 56 13.433 -5.727 -2.889 1.00 0.00 N ATOM 890 CZ ARG A 56 14.312 -5.861 -1.888 1.00 0.00 C ATOM 891 NH1 ARG A 56 14.854 -7.043 -1.624 1.00 0.00 N ATOM 892 NH2 ARG A 56 14.641 -4.809 -1.152 1.00 0.00 N ATOM 0 H ARG A 56 9.458 -5.968 -2.578 1.00 0.00 H new ATOM 0 HA ARG A 56 9.143 -4.636 -5.124 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.380 -5.504 -5.542 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.306 -4.766 -3.955 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.050 -7.047 -2.948 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.237 -7.742 -4.546 1.00 0.00 H new ATOM 0 HD2 ARG A 56 13.381 -7.769 -3.385 1.00 0.00 H new ATOM 0 HD3 ARG A 56 13.467 -6.685 -4.759 1.00 0.00 H new ATOM 0 HE ARG A 56 13.027 -4.804 -3.046 1.00 0.00 H new ATOM 0 HH11 ARG A 56 14.602 -7.857 -2.185 1.00 0.00 H new ATOM 0 HH12 ARG A 56 15.523 -7.138 -0.860 1.00 0.00 H new ATOM 0 HH21 ARG A 56 14.225 -3.899 -1.348 1.00 0.00 H new ATOM 0 HH22 ARG A 56 15.310 -4.910 -0.389 1.00 0.00 H new ATOM 906 N GLN A 57 8.260 -7.672 -4.840 1.00 0.00 N ATOM 907 CA GLN A 57 7.731 -8.844 -5.529 1.00 0.00 C ATOM 908 C GLN A 57 6.250 -8.683 -5.817 1.00 0.00 C ATOM 909 O GLN A 57 5.612 -9.568 -6.394 1.00 0.00 O ATOM 910 CB GLN A 57 7.965 -10.087 -4.677 1.00 0.00 C ATOM 911 CG GLN A 57 9.423 -10.319 -4.336 1.00 0.00 C ATOM 912 CD GLN A 57 10.252 -10.696 -5.544 1.00 0.00 C ATOM 913 OE1 GLN A 57 10.776 -9.701 -6.230 1.00 0.00 O flip ATOM 914 NE2 GLN A 57 10.405 -11.875 -5.866 1.00 0.00 N flip ATOM 0 H GLN A 57 8.077 -7.656 -3.837 1.00 0.00 H new ATOM 0 HA GLN A 57 8.251 -8.951 -6.481 1.00 0.00 H new ATOM 0 HB2 GLN A 57 7.394 -9.998 -3.753 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.581 -10.959 -5.207 1.00 0.00 H new ATOM 0 HG2 GLN A 57 9.835 -9.416 -3.885 1.00 0.00 H new ATOM 0 HG3 GLN A 57 9.496 -11.110 -3.589 1.00 0.00 H new ATOM 0 HE21 GLN A 57 9.982 -12.615 -5.307 1.00 0.00 H new ATOM 0 HE22 GLN A 57 10.955 -12.111 -6.692 1.00 0.00 H new ATOM 923 N ILE A 58 5.697 -7.560 -5.411 1.00 0.00 N ATOM 924 CA ILE A 58 4.286 -7.299 -5.596 1.00 0.00 C ATOM 925 C ILE A 58 4.045 -5.913 -6.165 1.00 0.00 C ATOM 926 O ILE A 58 4.954 -5.091 -6.246 1.00 0.00 O ATOM 927 CB ILE A 58 3.505 -7.442 -4.273 1.00 0.00 C ATOM 928 CG1 ILE A 58 4.129 -6.573 -3.197 1.00 0.00 C ATOM 929 CG2 ILE A 58 3.480 -8.888 -3.828 1.00 0.00 C ATOM 930 CD1 ILE A 58 3.277 -6.437 -1.964 1.00 0.00 C ATOM 0 H ILE A 58 6.208 -6.808 -4.947 1.00 0.00 H new ATOM 0 HA ILE A 58 3.925 -8.043 -6.306 1.00 0.00 H new ATOM 0 HB ILE A 58 2.480 -7.112 -4.439 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.095 -6.994 -2.917 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.320 -5.582 -3.608 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.925 -8.972 -2.893 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.996 -9.496 -4.593 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.501 -9.240 -3.677 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.786 -5.803 -1.238 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.320 -5.988 -2.231 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.107 -7.422 -1.529 1.00 0.00 H new ATOM 942 N ARG A 59 2.811 -5.659 -6.562 1.00 0.00 N ATOM 943 CA ARG A 59 2.425 -4.376 -7.116 1.00 0.00 C ATOM 944 C ARG A 59 1.076 -3.945 -6.593 1.00 0.00 C ATOM 945 O ARG A 59 0.199 -4.778 -6.334 1.00 0.00 O ATOM 946 CB ARG A 59 2.415 -4.419 -8.645 1.00 0.00 C ATOM 947 CG ARG A 59 3.797 -4.475 -9.259 1.00 0.00 C ATOM 948 CD ARG A 59 4.576 -3.202 -8.966 1.00 0.00 C ATOM 949 NE ARG A 59 4.324 -2.144 -9.942 1.00 0.00 N ATOM 950 CZ ARG A 59 4.796 -0.899 -9.824 1.00 0.00 C ATOM 951 NH1 ARG A 59 5.486 -0.545 -8.739 1.00 0.00 N ATOM 952 NH2 ARG A 59 4.572 -0.006 -10.785 1.00 0.00 N ATOM 0 H ARG A 59 2.050 -6.336 -6.509 1.00 0.00 H new ATOM 0 HA ARG A 59 3.166 -3.642 -6.799 1.00 0.00 H new ATOM 0 HB2 ARG A 59 1.846 -5.289 -8.972 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.895 -3.538 -9.021 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.339 -5.335 -8.866 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.715 -4.615 -10.337 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.313 -2.842 -7.971 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.642 -3.430 -8.951 1.00 0.00 H new ATOM 0 HE ARG A 59 3.756 -2.368 -10.759 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.654 -1.225 -7.997 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.845 0.406 -8.651 1.00 0.00 H new ATOM 0 HH21 ARG A 59 4.039 -0.271 -11.613 1.00 0.00 H new ATOM 0 HH22 ARG A 59 4.933 0.944 -10.693 1.00 0.00 H new ATOM 966 N PHE A 60 0.907 -2.636 -6.435 1.00 0.00 N ATOM 967 CA PHE A 60 -0.336 -2.068 -5.910 1.00 0.00 C ATOM 968 C PHE A 60 -1.064 -1.263 -6.988 1.00 0.00 C ATOM 969 O PHE A 60 -0.463 -0.413 -7.666 1.00 0.00 O ATOM 970 CB PHE A 60 -0.061 -1.165 -4.681 1.00 0.00 C ATOM 971 CG PHE A 60 0.468 -1.886 -3.473 1.00 0.00 C ATOM 972 CD1 PHE A 60 1.684 -2.547 -3.513 1.00 0.00 C ATOM 973 CD2 PHE A 60 -0.247 -1.884 -2.290 1.00 0.00 C ATOM 974 CE1 PHE A 60 2.175 -3.193 -2.398 1.00 0.00 C ATOM 975 CE2 PHE A 60 0.240 -2.531 -1.169 1.00 0.00 C ATOM 976 CZ PHE A 60 1.453 -3.186 -1.223 1.00 0.00 C ATOM 0 H PHE A 60 1.619 -1.942 -6.664 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.970 -2.898 -5.599 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.654 -0.393 -4.968 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.986 -0.657 -4.407 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.255 -2.557 -4.429 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.196 -1.372 -2.241 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.125 -3.704 -2.445 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.329 -2.524 -0.251 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.836 -3.691 -0.349 1.00 0.00 H new ATOM 986 N ARG A 61 -2.357 -1.524 -7.155 1.00 0.00 N ATOM 987 CA ARG A 61 -3.159 -0.807 -8.141 1.00 0.00 C ATOM 988 C ARG A 61 -4.455 -0.289 -7.510 1.00 0.00 C ATOM 989 O ARG A 61 -5.042 -0.933 -6.631 1.00 0.00 O ATOM 990 CB ARG A 61 -3.473 -1.712 -9.353 1.00 0.00 C ATOM 991 CG ARG A 61 -4.596 -2.702 -9.119 1.00 0.00 C ATOM 992 CD ARG A 61 -5.909 -2.197 -9.699 1.00 0.00 C ATOM 993 NE ARG A 61 -7.054 -2.998 -9.265 1.00 0.00 N ATOM 994 CZ ARG A 61 -7.927 -3.593 -10.080 1.00 0.00 C ATOM 995 NH1 ARG A 61 -7.765 -3.540 -11.399 1.00 0.00 N ATOM 996 NH2 ARG A 61 -8.960 -4.247 -9.564 1.00 0.00 N ATOM 0 H ARG A 61 -2.871 -2.225 -6.622 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.581 0.048 -8.492 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.731 -1.082 -10.204 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.571 -2.261 -9.625 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.340 -3.659 -9.573 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.712 -2.877 -8.049 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.060 -1.160 -9.400 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.851 -2.210 -10.787 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.196 -3.110 -8.261 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.968 -3.042 -11.795 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.437 -3.998 -12.014 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.081 -4.292 -8.552 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.633 -4.705 -10.179 1.00 0.00 H new ATOM 1010 N PHE A 62 -4.895 0.867 -7.957 1.00 0.00 N ATOM 1011 CA PHE A 62 -6.116 1.481 -7.471 1.00 0.00 C ATOM 1012 C PHE A 62 -6.778 2.243 -8.609 1.00 0.00 C ATOM 1013 O PHE A 62 -6.106 2.928 -9.359 1.00 0.00 O ATOM 1014 CB PHE A 62 -5.798 2.429 -6.308 1.00 0.00 C ATOM 1015 CG PHE A 62 -6.995 3.135 -5.738 1.00 0.00 C ATOM 1016 CD1 PHE A 62 -7.794 2.522 -4.784 1.00 0.00 C ATOM 1017 CD2 PHE A 62 -7.318 4.419 -6.150 1.00 0.00 C ATOM 1018 CE1 PHE A 62 -8.885 3.177 -4.257 1.00 0.00 C ATOM 1019 CE2 PHE A 62 -8.411 5.075 -5.626 1.00 0.00 C ATOM 1020 CZ PHE A 62 -9.196 4.454 -4.677 1.00 0.00 C ATOM 0 H PHE A 62 -4.414 1.412 -8.672 1.00 0.00 H new ATOM 0 HA PHE A 62 -6.797 0.710 -7.111 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -5.314 1.860 -5.514 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -5.080 3.175 -6.649 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.558 1.522 -4.451 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.705 4.911 -6.891 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -9.498 2.690 -3.513 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.652 6.074 -5.958 1.00 0.00 H new ATOM 0 HZ PHE A 62 -10.052 4.966 -4.264 1.00 0.00 H new ATOM 1030 N ASP A 63 -8.092 2.102 -8.749 1.00 0.00 N ATOM 1031 CA ASP A 63 -8.861 2.781 -9.818 1.00 0.00 C ATOM 1032 C ASP A 63 -8.377 2.349 -11.182 1.00 0.00 C ATOM 1033 O ASP A 63 -8.504 3.077 -12.170 1.00 0.00 O ATOM 1034 CB ASP A 63 -8.733 4.297 -9.706 1.00 0.00 C ATOM 1035 CG ASP A 63 -9.896 5.034 -10.362 1.00 0.00 C ATOM 1036 OD1 ASP A 63 -10.991 5.092 -9.756 1.00 0.00 O ATOM 1037 OD2 ASP A 63 -9.723 5.556 -11.482 1.00 0.00 O ATOM 0 H ASP A 63 -8.663 1.520 -8.135 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.907 2.499 -9.696 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.678 4.576 -8.654 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.799 4.614 -10.170 1.00 0.00 H new ATOM 1042 N GLY A 64 -7.855 1.153 -11.271 1.00 0.00 N ATOM 1043 CA GLY A 64 -7.320 0.708 -12.527 1.00 0.00 C ATOM 1044 C GLY A 64 -5.945 1.277 -12.836 1.00 0.00 C ATOM 1045 O GLY A 64 -5.353 0.951 -13.865 1.00 0.00 O ATOM 0 H GLY A 64 -7.790 0.483 -10.505 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.261 -0.380 -12.523 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -8.008 0.987 -13.325 1.00 0.00 H new ATOM 1049 N GLN A 65 -5.417 2.113 -11.956 1.00 0.00 N ATOM 1050 CA GLN A 65 -4.111 2.713 -12.183 1.00 0.00 C ATOM 1051 C GLN A 65 -3.131 2.308 -11.090 1.00 0.00 C ATOM 1052 O GLN A 65 -3.496 2.210 -9.920 1.00 0.00 O ATOM 1053 CB GLN A 65 -4.211 4.248 -12.303 1.00 0.00 C ATOM 1054 CG GLN A 65 -4.949 4.925 -11.159 1.00 0.00 C ATOM 1055 CD GLN A 65 -5.140 6.409 -11.387 1.00 0.00 C ATOM 1056 OE1 GLN A 65 -4.324 7.233 -10.973 1.00 0.00 O ATOM 1057 NE2 GLN A 65 -6.216 6.752 -12.055 1.00 0.00 N ATOM 0 H GLN A 65 -5.868 2.390 -11.084 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.731 2.335 -13.132 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.204 4.661 -12.363 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.713 4.494 -13.238 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.923 4.453 -11.030 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.395 4.772 -10.233 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.865 6.035 -12.379 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.403 7.735 -12.250 1.00 0.00 H new ATOM 1066 N PRO A 66 -1.885 2.029 -11.465 1.00 0.00 N ATOM 1067 CA PRO A 66 -0.852 1.641 -10.512 1.00 0.00 C ATOM 1068 C PRO A 66 -0.374 2.831 -9.688 1.00 0.00 C ATOM 1069 O PRO A 66 -0.309 3.960 -10.180 1.00 0.00 O ATOM 1070 CB PRO A 66 0.272 1.120 -11.411 1.00 0.00 C ATOM 1071 CG PRO A 66 0.100 1.868 -12.688 1.00 0.00 C ATOM 1072 CD PRO A 66 -1.381 2.068 -12.851 1.00 0.00 C ATOM 0 HA PRO A 66 -1.204 0.908 -9.786 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.252 1.305 -10.971 1.00 0.00 H new ATOM 0 HB3 PRO A 66 0.191 0.044 -11.566 1.00 0.00 H new ATOM 0 HG2 PRO A 66 0.622 2.824 -12.654 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.513 1.309 -13.527 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -1.607 3.018 -13.334 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -1.827 1.284 -13.463 1.00 0.00 H new ATOM 1080 N ILE A 67 -0.035 2.590 -8.438 1.00 0.00 N ATOM 1081 CA ILE A 67 0.432 3.657 -7.571 1.00 0.00 C ATOM 1082 C ILE A 67 1.784 3.337 -7.006 1.00 0.00 C ATOM 1083 O ILE A 67 2.069 2.205 -6.623 1.00 0.00 O ATOM 1084 CB ILE A 67 -0.546 4.007 -6.405 1.00 0.00 C ATOM 1085 CG1 ILE A 67 -1.002 2.749 -5.627 1.00 0.00 C ATOM 1086 CG2 ILE A 67 -1.736 4.810 -6.915 1.00 0.00 C ATOM 1087 CD1 ILE A 67 -2.164 2.009 -6.252 1.00 0.00 C ATOM 0 H ILE A 67 -0.073 1.670 -8.000 1.00 0.00 H new ATOM 0 HA ILE A 67 0.489 4.538 -8.211 1.00 0.00 H new ATOM 0 HB ILE A 67 0.003 4.629 -5.698 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.157 2.065 -5.540 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.278 3.044 -4.615 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.402 5.041 -6.084 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.383 5.737 -7.366 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.276 4.227 -7.661 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.415 1.143 -5.640 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.027 2.672 -6.314 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.888 1.678 -7.253 1.00 0.00 H new ATOM 1099 N ASN A 68 2.628 4.328 -6.988 1.00 0.00 N ATOM 1100 CA ASN A 68 3.964 4.199 -6.460 1.00 0.00 C ATOM 1101 C ASN A 68 4.002 4.612 -5.004 1.00 0.00 C ATOM 1102 O ASN A 68 3.187 5.416 -4.553 1.00 0.00 O ATOM 1103 CB ASN A 68 4.939 5.043 -7.284 1.00 0.00 C ATOM 1104 CG ASN A 68 4.266 6.247 -7.907 1.00 0.00 C ATOM 1105 OD1 ASN A 68 3.798 6.193 -9.044 1.00 0.00 O ATOM 1106 ND2 ASN A 68 4.195 7.321 -7.174 1.00 0.00 N ATOM 0 H ASN A 68 2.410 5.259 -7.342 1.00 0.00 H new ATOM 0 HA ASN A 68 4.266 3.154 -6.525 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.758 5.376 -6.646 1.00 0.00 H new ATOM 0 HB3 ASN A 68 5.377 4.427 -8.069 1.00 0.00 H new ATOM 0 HD21 ASN A 68 3.739 8.158 -7.538 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.595 7.326 -6.236 1.00 0.00 H new ATOM 1113 N GLU A 69 4.960 4.075 -4.272 1.00 0.00 N ATOM 1114 CA GLU A 69 5.115 4.348 -2.841 1.00 0.00 C ATOM 1115 C GLU A 69 5.385 5.824 -2.558 1.00 0.00 C ATOM 1116 O GLU A 69 5.216 6.300 -1.433 1.00 0.00 O ATOM 1117 CB GLU A 69 6.245 3.501 -2.265 1.00 0.00 C ATOM 1118 CG GLU A 69 7.470 3.443 -3.151 1.00 0.00 C ATOM 1119 CD GLU A 69 8.684 2.884 -2.448 1.00 0.00 C ATOM 1120 OE1 GLU A 69 8.805 3.062 -1.215 1.00 0.00 O ATOM 1121 OE2 GLU A 69 9.534 2.274 -3.127 1.00 0.00 O ATOM 0 H GLU A 69 5.659 3.434 -4.647 1.00 0.00 H new ATOM 0 HA GLU A 69 4.172 4.087 -2.361 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.529 3.902 -1.292 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.880 2.488 -2.098 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.250 2.831 -4.025 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.697 4.446 -3.513 1.00 0.00 H new ATOM 1128 N THR A 70 5.799 6.545 -3.572 1.00 0.00 N ATOM 1129 CA THR A 70 6.114 7.946 -3.434 1.00 0.00 C ATOM 1130 C THR A 70 4.848 8.802 -3.437 1.00 0.00 C ATOM 1131 O THR A 70 4.870 9.965 -3.046 1.00 0.00 O ATOM 1132 CB THR A 70 7.043 8.398 -4.567 1.00 0.00 C ATOM 1133 OG1 THR A 70 6.441 8.085 -5.822 1.00 0.00 O ATOM 1134 CG2 THR A 70 8.377 7.686 -4.474 1.00 0.00 C ATOM 0 H THR A 70 5.927 6.177 -4.515 1.00 0.00 H new ATOM 0 HA THR A 70 6.618 8.079 -2.477 1.00 0.00 H new ATOM 0 HB THR A 70 7.204 9.473 -4.480 1.00 0.00 H new ATOM 0 HG1 THR A 70 7.031 8.374 -6.549 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.024 8.018 -5.286 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.847 7.917 -3.518 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.221 6.610 -4.552 1.00 0.00 H new ATOM 1142 N ASP A 71 3.739 8.225 -3.873 1.00 0.00 N ATOM 1143 CA ASP A 71 2.479 8.953 -3.943 1.00 0.00 C ATOM 1144 C ASP A 71 1.710 8.856 -2.634 1.00 0.00 C ATOM 1145 O ASP A 71 2.006 8.015 -1.788 1.00 0.00 O ATOM 1146 CB ASP A 71 1.628 8.452 -5.116 1.00 0.00 C ATOM 1147 CG ASP A 71 1.622 9.434 -6.274 1.00 0.00 C ATOM 1148 OD1 ASP A 71 0.833 10.394 -6.240 1.00 0.00 O ATOM 1149 OD2 ASP A 71 2.426 9.265 -7.217 1.00 0.00 O ATOM 0 H ASP A 71 3.685 7.255 -4.184 1.00 0.00 H new ATOM 0 HA ASP A 71 2.710 10.005 -4.113 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.012 7.491 -5.458 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.606 8.285 -4.777 1.00 0.00 H new ATOM 1154 N THR A 72 0.729 9.726 -2.462 1.00 0.00 N ATOM 1155 CA THR A 72 -0.072 9.763 -1.242 1.00 0.00 C ATOM 1156 C THR A 72 -1.548 9.471 -1.538 1.00 0.00 C ATOM 1157 O THR A 72 -2.020 9.706 -2.653 1.00 0.00 O ATOM 1158 CB THR A 72 0.036 11.147 -0.565 1.00 0.00 C ATOM 1159 OG1 THR A 72 -0.183 12.180 -1.537 1.00 0.00 O ATOM 1160 CG2 THR A 72 1.400 11.340 0.072 1.00 0.00 C ATOM 0 H THR A 72 0.464 10.424 -3.157 1.00 0.00 H new ATOM 0 HA THR A 72 0.317 8.994 -0.575 1.00 0.00 H new ATOM 0 HB THR A 72 -0.723 11.202 0.216 1.00 0.00 H new ATOM 0 HG1 THR A 72 -0.115 13.056 -1.104 1.00 0.00 H new ATOM 0 HG21 THR A 72 1.447 12.323 0.541 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.561 10.570 0.826 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.173 11.266 -0.693 1.00 0.00 H new ATOM 1168 N PRO A 73 -2.306 8.970 -0.535 1.00 0.00 N ATOM 1169 CA PRO A 73 -3.742 8.679 -0.690 1.00 0.00 C ATOM 1170 C PRO A 73 -4.571 9.951 -0.927 1.00 0.00 C ATOM 1171 O PRO A 73 -5.751 9.888 -1.287 1.00 0.00 O ATOM 1172 CB PRO A 73 -4.127 8.031 0.648 1.00 0.00 C ATOM 1173 CG PRO A 73 -3.087 8.481 1.610 1.00 0.00 C ATOM 1174 CD PRO A 73 -1.821 8.625 0.820 1.00 0.00 C ATOM 0 HA PRO A 73 -3.936 8.044 -1.555 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.121 8.345 0.967 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.146 6.944 0.568 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.367 9.428 2.072 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.963 7.758 2.416 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.178 9.405 1.228 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.241 7.702 0.817 1.00 0.00 H new ATOM 1182 N ALA A 74 -3.955 11.104 -0.730 1.00 0.00 N ATOM 1183 CA ALA A 74 -4.630 12.378 -0.932 1.00 0.00 C ATOM 1184 C ALA A 74 -4.362 12.917 -2.322 1.00 0.00 C ATOM 1185 O ALA A 74 -5.045 13.823 -2.794 1.00 0.00 O ATOM 1186 CB ALA A 74 -4.193 13.388 0.108 1.00 0.00 C ATOM 0 H ALA A 74 -2.984 11.186 -0.429 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.701 12.208 -0.826 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.710 14.332 -0.062 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.437 13.015 1.103 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.117 13.545 0.033 1.00 0.00 H new ATOM 1192 N GLN A 75 -3.365 12.352 -2.989 1.00 0.00 N ATOM 1193 CA GLN A 75 -2.999 12.795 -4.323 1.00 0.00 C ATOM 1194 C GLN A 75 -4.087 12.418 -5.318 1.00 0.00 C ATOM 1195 O GLN A 75 -4.419 13.178 -6.221 1.00 0.00 O ATOM 1196 CB GLN A 75 -1.671 12.177 -4.743 1.00 0.00 C ATOM 1197 CG GLN A 75 -0.975 12.942 -5.852 1.00 0.00 C ATOM 1198 CD GLN A 75 -0.475 14.302 -5.395 1.00 0.00 C ATOM 1199 OE1 GLN A 75 -0.084 14.403 -4.135 1.00 0.00 O flip ATOM 1200 NE2 GLN A 75 -0.427 15.247 -6.176 1.00 0.00 N flip ATOM 0 H GLN A 75 -2.797 11.586 -2.627 1.00 0.00 H new ATOM 0 HA GLN A 75 -2.891 13.880 -4.311 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -1.012 12.127 -3.877 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -1.843 11.152 -5.071 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -0.134 12.355 -6.222 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -1.664 13.073 -6.686 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -0.738 15.128 -7.140 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -0.076 16.151 -5.861 1.00 0.00 H new ATOM 1209 N LEU A 76 -4.651 11.240 -5.134 1.00 0.00 N ATOM 1210 CA LEU A 76 -5.718 10.757 -5.994 1.00 0.00 C ATOM 1211 C LEU A 76 -7.057 10.850 -5.272 1.00 0.00 C ATOM 1212 O LEU A 76 -8.101 10.478 -5.806 1.00 0.00 O ATOM 1213 CB LEU A 76 -5.442 9.307 -6.510 1.00 0.00 C ATOM 1214 CG LEU A 76 -4.767 8.293 -5.542 1.00 0.00 C ATOM 1215 CD1 LEU A 76 -3.276 8.574 -5.376 1.00 0.00 C ATOM 1216 CD2 LEU A 76 -5.457 8.271 -4.190 1.00 0.00 C ATOM 0 H LEU A 76 -4.386 10.594 -4.391 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.757 11.397 -6.876 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.394 8.881 -6.827 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.816 9.384 -7.399 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.873 7.307 -5.995 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.842 7.844 -4.693 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.782 8.502 -6.345 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.138 9.577 -4.972 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.959 7.552 -3.539 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.407 9.263 -3.740 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.500 7.983 -4.319 1.00 0.00 H new ATOM 1228 N GLU A 77 -6.999 11.364 -4.044 1.00 0.00 N ATOM 1229 CA GLU A 77 -8.166 11.570 -3.189 1.00 0.00 C ATOM 1230 C GLU A 77 -9.035 10.325 -3.067 1.00 0.00 C ATOM 1231 O GLU A 77 -10.200 10.318 -3.463 1.00 0.00 O ATOM 1232 CB GLU A 77 -8.996 12.760 -3.665 1.00 0.00 C ATOM 1233 CG GLU A 77 -8.217 14.061 -3.708 1.00 0.00 C ATOM 1234 CD GLU A 77 -9.107 15.257 -3.911 1.00 0.00 C ATOM 1235 OE1 GLU A 77 -9.468 15.548 -5.068 1.00 0.00 O ATOM 1236 OE2 GLU A 77 -9.449 15.914 -2.913 1.00 0.00 O ATOM 0 H GLU A 77 -6.124 11.654 -3.608 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.781 11.788 -2.193 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.386 12.546 -4.660 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -9.855 12.881 -3.005 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.661 14.179 -2.778 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.484 14.016 -4.514 1.00 0.00 H new ATOM 1243 N MET A 78 -8.459 9.258 -2.545 1.00 0.00 N ATOM 1244 CA MET A 78 -9.213 8.038 -2.306 1.00 0.00 C ATOM 1245 C MET A 78 -10.065 8.198 -1.064 1.00 0.00 C ATOM 1246 O MET A 78 -9.832 9.095 -0.250 1.00 0.00 O ATOM 1247 CB MET A 78 -8.284 6.834 -2.160 1.00 0.00 C ATOM 1248 CG MET A 78 -7.171 7.029 -1.150 1.00 0.00 C ATOM 1249 SD MET A 78 -6.192 5.537 -0.888 1.00 0.00 S ATOM 1250 CE MET A 78 -5.883 5.016 -2.570 1.00 0.00 C ATOM 0 H MET A 78 -7.476 9.210 -2.279 1.00 0.00 H new ATOM 0 HA MET A 78 -9.859 7.859 -3.166 1.00 0.00 H new ATOM 0 HB2 MET A 78 -8.875 5.966 -1.870 1.00 0.00 H new ATOM 0 HB3 MET A 78 -7.843 6.609 -3.131 1.00 0.00 H new ATOM 0 HG2 MET A 78 -6.517 7.832 -1.489 1.00 0.00 H new ATOM 0 HG3 MET A 78 -7.601 7.347 -0.200 1.00 0.00 H new ATOM 0 HE1 MET A 78 -4.864 4.637 -2.652 1.00 0.00 H new ATOM 0 HE2 MET A 78 -6.586 4.229 -2.842 1.00 0.00 H new ATOM 0 HE3 MET A 78 -6.009 5.864 -3.243 1.00 0.00 H new ATOM 1260 N GLU A 79 -11.035 7.334 -0.901 1.00 0.00 N ATOM 1261 CA GLU A 79 -11.949 7.434 0.217 1.00 0.00 C ATOM 1262 C GLU A 79 -11.463 6.588 1.393 1.00 0.00 C ATOM 1263 O GLU A 79 -10.620 5.703 1.234 1.00 0.00 O ATOM 1264 CB GLU A 79 -13.357 7.010 -0.215 1.00 0.00 C ATOM 1265 CG GLU A 79 -14.441 7.377 0.782 1.00 0.00 C ATOM 1266 CD GLU A 79 -14.490 8.866 1.055 1.00 0.00 C ATOM 1267 OE1 GLU A 79 -13.619 9.372 1.791 1.00 0.00 O ATOM 1268 OE2 GLU A 79 -15.398 9.543 0.528 1.00 0.00 O ATOM 0 H GLU A 79 -11.215 6.550 -1.528 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.985 8.473 0.546 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -13.587 7.473 -1.175 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -13.370 5.931 -0.370 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -15.408 7.047 0.402 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -14.268 6.844 1.717 1.00 0.00 H new ATOM 1275 N ASP A 80 -11.980 6.867 2.584 1.00 0.00 N ATOM 1276 CA ASP A 80 -11.598 6.117 3.771 1.00 0.00 C ATOM 1277 C ASP A 80 -12.149 4.706 3.729 1.00 0.00 C ATOM 1278 O ASP A 80 -13.284 4.474 3.306 1.00 0.00 O ATOM 1279 CB ASP A 80 -12.048 6.817 5.057 1.00 0.00 C ATOM 1280 CG ASP A 80 -13.555 6.914 5.196 1.00 0.00 C ATOM 1281 OD1 ASP A 80 -14.177 7.662 4.429 1.00 0.00 O ATOM 1282 OD2 ASP A 80 -14.120 6.252 6.091 1.00 0.00 O ATOM 0 H ASP A 80 -12.663 7.606 2.752 1.00 0.00 H new ATOM 0 HA ASP A 80 -10.509 6.068 3.776 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -11.646 6.278 5.915 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.623 7.820 5.083 1.00 0.00 H new ATOM 1287 N GLU A 81 -11.317 3.766 4.143 1.00 0.00 N ATOM 1288 CA GLU A 81 -11.640 2.345 4.197 1.00 0.00 C ATOM 1289 C GLU A 81 -11.680 1.748 2.809 1.00 0.00 C ATOM 1290 O GLU A 81 -12.255 0.678 2.591 1.00 0.00 O ATOM 1291 CB GLU A 81 -12.948 2.073 4.944 1.00 0.00 C ATOM 1292 CG GLU A 81 -12.933 2.528 6.385 1.00 0.00 C ATOM 1293 CD GLU A 81 -14.066 1.935 7.179 1.00 0.00 C ATOM 1294 OE1 GLU A 81 -13.936 0.782 7.651 1.00 0.00 O ATOM 1295 OE2 GLU A 81 -15.096 2.616 7.342 1.00 0.00 O ATOM 0 H GLU A 81 -10.370 3.973 4.461 1.00 0.00 H new ATOM 0 HA GLU A 81 -10.844 1.860 4.761 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -13.764 2.574 4.423 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -13.158 1.004 4.912 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.984 2.248 6.843 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -12.996 3.616 6.422 1.00 0.00 H new ATOM 1302 N ASP A 82 -11.055 2.432 1.861 1.00 0.00 N ATOM 1303 CA ASP A 82 -10.997 1.956 0.493 1.00 0.00 C ATOM 1304 C ASP A 82 -10.044 0.781 0.400 1.00 0.00 C ATOM 1305 O ASP A 82 -9.376 0.433 1.373 1.00 0.00 O ATOM 1306 CB ASP A 82 -10.547 3.064 -0.444 1.00 0.00 C ATOM 1307 CG ASP A 82 -11.279 3.017 -1.768 1.00 0.00 C ATOM 1308 OD1 ASP A 82 -11.139 2.017 -2.498 1.00 0.00 O ATOM 1309 OD2 ASP A 82 -12.006 3.974 -2.083 1.00 0.00 O ATOM 0 H ASP A 82 -10.580 3.321 2.019 1.00 0.00 H new ATOM 0 HA ASP A 82 -11.995 1.637 0.193 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.716 4.031 0.030 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.475 2.978 -0.619 1.00 0.00 H new ATOM 1314 N THR A 83 -9.950 0.174 -0.757 1.00 0.00 N ATOM 1315 CA THR A 83 -9.122 -0.994 -0.907 1.00 0.00 C ATOM 1316 C THR A 83 -8.248 -0.904 -2.156 1.00 0.00 C ATOM 1317 O THR A 83 -8.642 -0.342 -3.181 1.00 0.00 O ATOM 1318 CB THR A 83 -9.984 -2.274 -0.967 1.00 0.00 C ATOM 1319 OG1 THR A 83 -11.139 -2.111 -0.133 1.00 0.00 O ATOM 1320 CG2 THR A 83 -9.195 -3.472 -0.467 1.00 0.00 C ATOM 0 H THR A 83 -10.435 0.469 -1.605 1.00 0.00 H new ATOM 0 HA THR A 83 -8.471 -1.042 -0.034 1.00 0.00 H new ATOM 0 HB THR A 83 -10.281 -2.442 -2.002 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.688 -2.922 -0.172 1.00 0.00 H new ATOM 0 HG21 THR A 83 -9.818 -4.365 -0.517 1.00 0.00 H new ATOM 0 HG22 THR A 83 -8.311 -3.611 -1.090 1.00 0.00 H new ATOM 0 HG23 THR A 83 -8.888 -3.301 0.565 1.00 0.00 H new ATOM 1328 N ILE A 84 -7.067 -1.481 -2.069 1.00 0.00 N ATOM 1329 CA ILE A 84 -6.104 -1.470 -3.148 1.00 0.00 C ATOM 1330 C ILE A 84 -5.785 -2.898 -3.521 1.00 0.00 C ATOM 1331 O ILE A 84 -5.644 -3.755 -2.652 1.00 0.00 O ATOM 1332 CB ILE A 84 -4.785 -0.715 -2.754 1.00 0.00 C ATOM 1333 CG1 ILE A 84 -5.013 0.799 -2.704 1.00 0.00 C ATOM 1334 CG2 ILE A 84 -3.647 -1.039 -3.708 1.00 0.00 C ATOM 1335 CD1 ILE A 84 -5.819 1.263 -1.521 1.00 0.00 C ATOM 0 H ILE A 84 -6.746 -1.976 -1.237 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.539 -0.937 -3.994 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.503 -1.061 -1.760 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -4.045 1.300 -2.689 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -5.519 1.109 -3.618 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.751 -0.498 -3.403 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.449 -2.111 -3.687 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.924 -0.741 -4.719 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -5.934 2.346 -1.561 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -6.802 0.793 -1.543 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.306 0.987 -0.600 1.00 0.00 H new ATOM 1347 N ASP A 85 -5.698 -3.168 -4.800 1.00 0.00 N ATOM 1348 CA ASP A 85 -5.436 -4.510 -5.269 1.00 0.00 C ATOM 1349 C ASP A 85 -3.955 -4.766 -5.375 1.00 0.00 C ATOM 1350 O ASP A 85 -3.194 -3.921 -5.860 1.00 0.00 O ATOM 1351 CB ASP A 85 -6.097 -4.749 -6.614 1.00 0.00 C ATOM 1352 CG ASP A 85 -7.601 -4.817 -6.523 1.00 0.00 C ATOM 1353 OD1 ASP A 85 -8.139 -5.900 -6.194 1.00 0.00 O ATOM 1354 OD2 ASP A 85 -8.260 -3.791 -6.794 1.00 0.00 O ATOM 0 H ASP A 85 -5.805 -2.474 -5.540 1.00 0.00 H new ATOM 0 HA ASP A 85 -5.858 -5.202 -4.541 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.815 -3.950 -7.299 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -5.721 -5.680 -7.038 1.00 0.00 H new ATOM 1359 N VAL A 86 -3.541 -5.924 -4.920 1.00 0.00 N ATOM 1360 CA VAL A 86 -2.162 -6.319 -4.961 1.00 0.00 C ATOM 1361 C VAL A 86 -1.997 -7.587 -5.758 1.00 0.00 C ATOM 1362 O VAL A 86 -2.797 -8.519 -5.657 1.00 0.00 O ATOM 1363 CB VAL A 86 -1.582 -6.506 -3.530 1.00 0.00 C ATOM 1364 CG1 VAL A 86 -0.441 -7.521 -3.506 1.00 0.00 C ATOM 1365 CG2 VAL A 86 -1.097 -5.182 -3.004 1.00 0.00 C ATOM 0 H VAL A 86 -4.161 -6.622 -4.508 1.00 0.00 H new ATOM 0 HA VAL A 86 -1.605 -5.520 -5.450 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.380 -6.890 -2.894 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.065 -7.621 -2.488 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.806 -8.487 -3.855 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.363 -7.180 -4.158 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.691 -5.315 -2.001 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.320 -4.792 -3.661 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.928 -4.478 -2.968 1.00 0.00 H new ATOM 1375 N PHE A 87 -0.959 -7.629 -6.544 1.00 0.00 N ATOM 1376 CA PHE A 87 -0.664 -8.780 -7.348 1.00 0.00 C ATOM 1377 C PHE A 87 0.811 -9.054 -7.300 1.00 0.00 C ATOM 1378 O PHE A 87 1.619 -8.133 -7.189 1.00 0.00 O ATOM 1379 CB PHE A 87 -1.167 -8.607 -8.790 1.00 0.00 C ATOM 1380 CG PHE A 87 -1.044 -7.210 -9.338 1.00 0.00 C ATOM 1381 CD1 PHE A 87 -1.965 -6.234 -8.989 1.00 0.00 C ATOM 1382 CD2 PHE A 87 -0.021 -6.876 -10.202 1.00 0.00 C ATOM 1383 CE1 PHE A 87 -1.865 -4.958 -9.487 1.00 0.00 C ATOM 1384 CE2 PHE A 87 0.083 -5.594 -10.710 1.00 0.00 C ATOM 1385 CZ PHE A 87 -0.840 -4.634 -10.350 1.00 0.00 C ATOM 0 H PHE A 87 -0.292 -6.864 -6.645 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.193 -9.642 -6.941 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -0.612 -9.286 -9.437 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -2.214 -8.908 -8.834 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -2.773 -6.481 -8.316 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.706 -7.623 -10.484 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -2.589 -4.209 -9.203 1.00 0.00 H new ATOM 0 HE2 PHE A 87 0.886 -5.345 -11.388 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.760 -3.631 -10.743 1.00 0.00 H new ATOM 1395 N GLN A 88 1.179 -10.310 -7.371 1.00 0.00 N ATOM 1396 CA GLN A 88 2.568 -10.679 -7.238 1.00 0.00 C ATOM 1397 C GLN A 88 3.106 -11.147 -8.571 1.00 0.00 C ATOM 1398 O GLN A 88 2.701 -12.187 -9.093 1.00 0.00 O ATOM 1399 CB GLN A 88 2.729 -11.765 -6.166 1.00 0.00 C ATOM 1400 CG GLN A 88 1.722 -11.639 -5.021 1.00 0.00 C ATOM 1401 CD GLN A 88 2.186 -12.260 -3.716 1.00 0.00 C ATOM 1402 OE1 GLN A 88 1.380 -12.792 -2.956 1.00 0.00 O ATOM 1403 NE2 GLN A 88 3.467 -12.136 -3.412 1.00 0.00 N ATOM 0 H GLN A 88 0.540 -11.091 -7.519 1.00 0.00 H new ATOM 0 HA GLN A 88 3.142 -9.807 -6.923 1.00 0.00 H new ATOM 0 HB2 GLN A 88 2.619 -12.744 -6.631 1.00 0.00 H new ATOM 0 HB3 GLN A 88 3.739 -11.717 -5.759 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.509 -10.583 -4.853 1.00 0.00 H new ATOM 0 HG3 GLN A 88 0.786 -12.109 -5.322 1.00 0.00 H new ATOM 0 HE21 GLN A 88 4.106 -11.688 -4.069 1.00 0.00 H new ATOM 0 HE22 GLN A 88 3.816 -12.488 -2.521 1.00 0.00 H new