USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=18 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 32 LYS NZ :NH3+ -124:sc= 0.85 (180deg=-0.000944) USER MOD Set 1.2: A 48 GLN : amide:sc= 0.15 K(o=1,f=-5.3) USER MOD Set 2.1: A 18 LYS NZ :NH3+ 136:sc= 0.0646 (180deg=0) USER MOD Set 2.2: A 42 ASN : amide:sc= 0.0603 X(o=0.12,f=-0.087) USER MOD Single : A 16 LYS NZ :NH3+ 169:sc= -0.0129 (180deg=-0.157) USER MOD Single : A 17 LYS NZ :NH3+ -148:sc= -1.62 (180deg=-3.54!) USER MOD Single : A 20 LYS NZ :NH3+ -157:sc= -2.18! (180deg=-3.56!) USER MOD Single : A 22 THR OG1 : rot 2:sc= 1.25 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.435 K(o=-0.44,f=-1.7) USER MOD Single : A 34 CYS SG : rot 97:sc= 0.00757 USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 161:sc= 1.25 (180deg=1.06) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.049 USER MOD Single : A 60 ASN : amide:sc= 0.0514 K(o=0.051,f=-3.2!) USER MOD Single : A 64 LYS NZ :NH3+ 165:sc= 3.22 (180deg=2.8) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= -0.517 USER MOD Single : A 74 TYR OH : rot 180:sc= 0.266 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.114 USER MOD Single : A 80 THR OG1 : rot -25:sc= 0.197 USER MOD ----------------------------------------------------------------- ATOM 244 N GLU A 14 -6.764 -3.367 8.547 1.00 0.00 N ATOM 245 CA GLU A 14 -6.617 -4.732 8.043 1.00 0.00 C ATOM 246 C GLU A 14 -5.159 -5.078 7.795 1.00 0.00 C ATOM 247 O GLU A 14 -4.741 -6.210 7.988 1.00 0.00 O ATOM 248 CB GLU A 14 -7.360 -4.867 6.716 1.00 0.00 C ATOM 249 CG GLU A 14 -8.841 -4.558 6.777 1.00 0.00 C ATOM 250 CD GLU A 14 -9.589 -5.498 7.671 1.00 0.00 C ATOM 251 OE1 GLU A 14 -9.849 -6.643 7.257 1.00 0.00 O ATOM 252 OE2 GLU A 14 -9.937 -5.112 8.810 1.00 0.00 O ATOM 0 HA GLU A 14 -7.025 -5.407 8.795 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.895 -4.203 5.988 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.231 -5.884 6.347 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.981 -3.537 7.131 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.260 -4.607 5.772 1.00 0.00 H new ATOM 259 N ILE A 15 -4.373 -4.076 7.430 1.00 0.00 N ATOM 260 CA ILE A 15 -2.986 -4.271 7.040 1.00 0.00 C ATOM 261 C ILE A 15 -2.134 -4.689 8.242 1.00 0.00 C ATOM 262 O ILE A 15 -1.167 -5.456 8.114 1.00 0.00 O ATOM 263 CB ILE A 15 -2.379 -2.986 6.405 1.00 0.00 C ATOM 264 CG1 ILE A 15 -2.190 -1.905 7.465 1.00 0.00 C ATOM 265 CG2 ILE A 15 -3.317 -2.480 5.316 1.00 0.00 C ATOM 266 CD1 ILE A 15 -1.164 -0.888 7.101 1.00 0.00 C ATOM 0 H ILE A 15 -4.680 -3.104 7.396 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.977 -5.065 6.294 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.405 -3.223 5.976 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.143 -1.404 7.635 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.905 -2.376 8.406 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.899 -1.580 4.866 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.434 -3.248 4.551 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.290 -2.250 5.751 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.083 -0.151 7.900 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.200 -1.378 6.960 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.457 -0.390 6.177 1.00 0.00 H new ATOM 278 N LYS A 16 -2.561 -4.251 9.413 1.00 0.00 N ATOM 279 CA LYS A 16 -1.858 -4.481 10.661 1.00 0.00 C ATOM 280 C LYS A 16 -2.140 -5.896 11.117 1.00 0.00 C ATOM 281 O LYS A 16 -1.466 -6.449 11.983 1.00 0.00 O ATOM 282 CB LYS A 16 -2.351 -3.461 11.695 1.00 0.00 C ATOM 283 CG LYS A 16 -2.275 -2.022 11.184 1.00 0.00 C ATOM 284 CD LYS A 16 -2.985 -1.036 12.098 1.00 0.00 C ATOM 285 CE LYS A 16 -2.257 -0.820 13.420 1.00 0.00 C ATOM 286 NZ LYS A 16 -0.927 -0.191 13.244 1.00 0.00 N ATOM 0 H LYS A 16 -3.422 -3.716 9.524 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.782 -4.360 10.536 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.381 -3.693 11.966 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.755 -3.552 12.603 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.229 -1.731 11.085 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.716 -1.971 10.189 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.085 -0.080 11.584 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.994 -1.397 12.300 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.868 -0.192 14.068 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.137 -1.779 13.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.557 0.103 14.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.274 -0.875 12.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.016 0.641 12.627 1.00 0.00 H new ATOM 300 N LYS A 17 -3.122 -6.477 10.485 1.00 0.00 N ATOM 301 CA LYS A 17 -3.541 -7.823 10.754 1.00 0.00 C ATOM 302 C LYS A 17 -3.271 -8.680 9.523 1.00 0.00 C ATOM 303 O LYS A 17 -3.705 -9.832 9.434 1.00 0.00 O ATOM 304 CB LYS A 17 -5.034 -7.830 11.063 1.00 0.00 C ATOM 305 CG LYS A 17 -5.430 -6.936 12.231 1.00 0.00 C ATOM 306 CD LYS A 17 -6.932 -6.961 12.527 1.00 0.00 C ATOM 307 CE LYS A 17 -7.413 -8.251 13.210 1.00 0.00 C ATOM 308 NZ LYS A 17 -7.271 -9.470 12.381 1.00 0.00 N ATOM 0 H LYS A 17 -3.664 -6.018 9.753 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.992 -8.222 11.607 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.580 -7.512 10.175 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.345 -8.852 11.280 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.885 -7.250 13.121 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.126 -5.912 12.016 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.181 -6.111 13.162 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.478 -6.831 11.593 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.854 -8.388 14.136 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -8.461 -8.133 13.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.036 -10.136 12.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.325 -9.214 11.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.352 -9.917 12.576 1.00 0.00 H new ATOM 322 N LYS A 18 -2.566 -8.110 8.566 1.00 0.00 N ATOM 323 CA LYS A 18 -2.293 -8.806 7.337 1.00 0.00 C ATOM 324 C LYS A 18 -0.805 -8.944 7.136 1.00 0.00 C ATOM 325 O LYS A 18 -0.291 -10.046 7.045 1.00 0.00 O ATOM 326 CB LYS A 18 -2.876 -8.066 6.150 1.00 0.00 C ATOM 327 CG LYS A 18 -3.000 -8.928 4.906 1.00 0.00 C ATOM 328 CD LYS A 18 -4.170 -9.882 5.024 1.00 0.00 C ATOM 329 CE LYS A 18 -5.483 -9.114 5.081 1.00 0.00 C ATOM 330 NZ LYS A 18 -6.653 -9.997 5.258 1.00 0.00 N ATOM 0 H LYS A 18 -2.175 -7.169 8.621 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.754 -9.791 7.407 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.861 -7.683 6.418 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.249 -7.203 5.925 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.131 -8.293 4.030 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.079 -9.492 4.756 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.178 -10.564 4.174 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.060 -10.492 5.921 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.445 -8.399 5.903 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.603 -8.539 4.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -7.292 -9.588 5.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -7.157 -10.092 4.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.335 -10.935 5.577 1.00 0.00 H new ATOM 344 N PHE A 19 -0.104 -7.826 7.045 1.00 0.00 N ATOM 345 CA PHE A 19 1.329 -7.896 6.873 1.00 0.00 C ATOM 346 C PHE A 19 1.947 -7.870 8.267 1.00 0.00 C ATOM 347 O PHE A 19 3.009 -8.454 8.508 1.00 0.00 O ATOM 348 CB PHE A 19 1.826 -6.718 6.016 1.00 0.00 C ATOM 349 CG PHE A 19 3.169 -6.930 5.350 1.00 0.00 C ATOM 350 CD1 PHE A 19 4.328 -7.013 6.084 1.00 0.00 C ATOM 351 CD2 PHE A 19 3.264 -7.010 3.979 1.00 0.00 C ATOM 352 CE1 PHE A 19 5.550 -7.167 5.476 1.00 0.00 C ATOM 353 CE2 PHE A 19 4.489 -7.171 3.372 1.00 0.00 C ATOM 354 CZ PHE A 19 5.635 -7.244 4.119 1.00 0.00 C ATOM 0 H PHE A 19 -0.495 -6.885 7.086 1.00 0.00 H new ATOM 0 HA PHE A 19 1.618 -8.808 6.350 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.084 -6.512 5.245 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.886 -5.831 6.646 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.277 -6.956 7.161 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.371 -6.946 3.375 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.446 -7.227 6.076 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.547 -7.240 2.296 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.595 -7.361 3.637 1.00 0.00 H new ATOM 364 N LYS A 20 1.217 -7.221 9.192 1.00 0.00 N ATOM 365 CA LYS A 20 1.608 -7.091 10.596 1.00 0.00 C ATOM 366 C LYS A 20 2.859 -6.258 10.695 1.00 0.00 C ATOM 367 O LYS A 20 3.977 -6.762 10.622 1.00 0.00 O ATOM 368 CB LYS A 20 1.788 -8.455 11.271 1.00 0.00 C ATOM 369 CG LYS A 20 2.250 -8.402 12.723 1.00 0.00 C ATOM 370 CD LYS A 20 2.760 -9.763 13.220 1.00 0.00 C ATOM 371 CE LYS A 20 4.135 -10.151 12.620 1.00 0.00 C ATOM 372 NZ LYS A 20 4.117 -10.341 11.143 1.00 0.00 N ATOM 0 H LYS A 20 0.329 -6.768 8.977 1.00 0.00 H new ATOM 0 HA LYS A 20 0.803 -6.588 11.132 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.841 -8.993 11.227 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.511 -9.035 10.697 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.042 -7.660 12.823 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.424 -8.073 13.354 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.838 -9.741 14.307 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.030 -10.532 12.968 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.860 -9.376 12.868 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.479 -11.072 13.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.910 -10.952 10.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.220 -10.786 10.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.208 -9.418 10.673 1.00 0.00 H new ATOM 386 N LEU A 21 2.662 -4.987 10.823 1.00 0.00 N ATOM 387 CA LEU A 21 3.755 -4.057 10.807 1.00 0.00 C ATOM 388 C LEU A 21 4.156 -3.662 12.196 1.00 0.00 C ATOM 389 O LEU A 21 5.227 -3.112 12.402 1.00 0.00 O ATOM 390 CB LEU A 21 3.416 -2.806 9.988 1.00 0.00 C ATOM 391 CG LEU A 21 3.019 -3.021 8.511 1.00 0.00 C ATOM 392 CD1 LEU A 21 3.906 -4.051 7.863 1.00 0.00 C ATOM 393 CD2 LEU A 21 1.541 -3.383 8.337 1.00 0.00 C ATOM 0 H LEU A 21 1.743 -4.560 10.942 1.00 0.00 H new ATOM 0 HA LEU A 21 4.595 -4.564 10.333 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.598 -2.286 10.486 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.279 -2.140 10.013 1.00 0.00 H new ATOM 0 HG LEU A 21 3.164 -2.066 8.007 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.608 -4.186 6.823 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.942 -3.715 7.903 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.811 -4.998 8.393 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.323 -3.522 7.278 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.327 -4.306 8.876 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.920 -2.579 8.733 1.00 0.00 H new ATOM 405 N THR A 22 3.286 -3.943 13.136 1.00 0.00 N ATOM 406 CA THR A 22 3.416 -3.596 14.551 1.00 0.00 C ATOM 407 C THR A 22 3.282 -2.084 14.817 1.00 0.00 C ATOM 408 O THR A 22 2.420 -1.669 15.574 1.00 0.00 O ATOM 409 CB THR A 22 4.633 -4.265 15.317 1.00 0.00 C ATOM 410 OG1 THR A 22 5.916 -3.889 14.767 1.00 0.00 O ATOM 411 CG2 THR A 22 4.513 -5.772 15.268 1.00 0.00 C ATOM 0 H THR A 22 2.421 -4.445 12.936 1.00 0.00 H new ATOM 0 HA THR A 22 2.547 -4.069 15.009 1.00 0.00 H new ATOM 0 HB THR A 22 4.586 -3.904 16.345 1.00 0.00 H new ATOM 0 HG1 THR A 22 5.784 -3.251 14.035 1.00 0.00 H new ATOM 0 HG21 THR A 22 5.354 -6.221 15.797 1.00 0.00 H new ATOM 0 HG22 THR A 22 3.580 -6.078 15.742 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.518 -6.104 14.230 1.00 0.00 H new ATOM 459 N GLN A 26 8.555 3.838 7.433 1.00 0.00 N ATOM 460 CA GLN A 26 8.840 4.815 6.406 1.00 0.00 C ATOM 461 C GLN A 26 8.980 4.116 5.054 1.00 0.00 C ATOM 462 O GLN A 26 9.081 2.890 4.987 1.00 0.00 O ATOM 463 CB GLN A 26 10.116 5.590 6.743 1.00 0.00 C ATOM 464 CG GLN A 26 11.359 4.730 6.832 1.00 0.00 C ATOM 465 CD GLN A 26 12.593 5.521 7.203 1.00 0.00 C ATOM 466 OE1 GLN A 26 12.906 5.684 8.382 1.00 0.00 O ATOM 467 NE2 GLN A 26 13.291 6.023 6.215 1.00 0.00 N ATOM 0 HA GLN A 26 8.015 5.525 6.354 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.272 6.358 5.985 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.975 6.105 7.693 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.200 3.945 7.571 1.00 0.00 H new ATOM 0 HG3 GLN A 26 11.523 4.237 5.874 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.997 5.865 5.251 1.00 0.00 H new ATOM 0 HE22 GLN A 26 14.128 6.572 6.409 1.00 0.00 H new ATOM 476 N VAL A 27 9.010 4.887 3.992 1.00 0.00 N ATOM 477 CA VAL A 27 9.109 4.309 2.675 1.00 0.00 C ATOM 478 C VAL A 27 10.554 3.925 2.367 1.00 0.00 C ATOM 479 O VAL A 27 11.502 4.681 2.648 1.00 0.00 O ATOM 480 CB VAL A 27 8.506 5.224 1.562 1.00 0.00 C ATOM 481 CG1 VAL A 27 9.236 6.541 1.414 1.00 0.00 C ATOM 482 CG2 VAL A 27 8.452 4.512 0.239 1.00 0.00 C ATOM 0 H VAL A 27 8.968 5.906 4.014 1.00 0.00 H new ATOM 0 HA VAL A 27 8.503 3.403 2.676 1.00 0.00 H new ATOM 0 HB VAL A 27 7.491 5.454 1.885 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.768 7.130 0.625 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.189 7.091 2.354 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.278 6.352 1.156 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.028 5.176 -0.514 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.459 4.222 -0.059 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.830 3.622 0.330 1.00 0.00 H new ATOM 492 N ILE A 28 10.719 2.762 1.837 1.00 0.00 N ATOM 493 CA ILE A 28 12.019 2.249 1.517 1.00 0.00 C ATOM 494 C ILE A 28 12.396 2.638 0.096 1.00 0.00 C ATOM 495 O ILE A 28 13.538 3.008 -0.168 1.00 0.00 O ATOM 496 CB ILE A 28 12.070 0.697 1.691 1.00 0.00 C ATOM 497 CG1 ILE A 28 11.709 0.303 3.137 1.00 0.00 C ATOM 498 CG2 ILE A 28 13.433 0.122 1.302 1.00 0.00 C ATOM 499 CD1 ILE A 28 12.610 0.911 4.202 1.00 0.00 C ATOM 0 H ILE A 28 9.952 2.129 1.609 1.00 0.00 H new ATOM 0 HA ILE A 28 12.740 2.686 2.208 1.00 0.00 H new ATOM 0 HB ILE A 28 11.331 0.269 1.014 1.00 0.00 H new ATOM 0 HG12 ILE A 28 10.680 0.603 3.335 1.00 0.00 H new ATOM 0 HG13 ILE A 28 11.747 -0.783 3.224 1.00 0.00 H new ATOM 0 HG21 ILE A 28 13.424 -0.959 1.438 1.00 0.00 H new ATOM 0 HG22 ILE A 28 13.641 0.354 0.258 1.00 0.00 H new ATOM 0 HG23 ILE A 28 14.206 0.561 1.933 1.00 0.00 H new ATOM 0 HD11 ILE A 28 12.283 0.580 5.188 1.00 0.00 H new ATOM 0 HD12 ILE A 28 13.638 0.591 4.035 1.00 0.00 H new ATOM 0 HD13 ILE A 28 12.555 1.998 4.148 1.00 0.00 H new ATOM 511 N HIS A 29 11.423 2.600 -0.808 1.00 0.00 N ATOM 512 CA HIS A 29 11.648 2.898 -2.228 1.00 0.00 C ATOM 513 C HIS A 29 10.345 3.202 -2.862 1.00 0.00 C ATOM 514 O HIS A 29 9.299 2.892 -2.302 1.00 0.00 O ATOM 515 CB HIS A 29 12.253 1.704 -3.019 1.00 0.00 C ATOM 516 CG HIS A 29 13.685 1.367 -2.735 1.00 0.00 C ATOM 517 ND1 HIS A 29 14.079 0.149 -2.245 1.00 0.00 N ATOM 518 CD2 HIS A 29 14.820 2.089 -2.886 1.00 0.00 C ATOM 519 CE1 HIS A 29 15.383 0.135 -2.107 1.00 0.00 C ATOM 520 NE2 HIS A 29 15.859 1.299 -2.484 1.00 0.00 N ATOM 0 H HIS A 29 10.457 2.363 -0.583 1.00 0.00 H new ATOM 0 HA HIS A 29 12.349 3.732 -2.261 1.00 0.00 H new ATOM 0 HB2 HIS A 29 11.648 0.820 -2.816 1.00 0.00 H new ATOM 0 HB3 HIS A 29 12.158 1.918 -4.084 1.00 0.00 H new ATOM 0 HD2 HIS A 29 14.891 3.101 -3.256 1.00 0.00 H new ATOM 0 HE1 HIS A 29 15.968 -0.696 -1.743 1.00 0.00 H new ATOM 0 HE2 HIS A 29 16.843 1.569 -2.478 1.00 0.00 H new ATOM 529 N LEU A 30 10.383 3.766 -4.010 1.00 0.00 N ATOM 530 CA LEU A 30 9.191 3.973 -4.751 1.00 0.00 C ATOM 531 C LEU A 30 9.156 2.934 -5.839 1.00 0.00 C ATOM 532 O LEU A 30 10.100 2.770 -6.582 1.00 0.00 O ATOM 533 CB LEU A 30 9.056 5.402 -5.325 1.00 0.00 C ATOM 534 CG LEU A 30 8.855 6.561 -4.319 1.00 0.00 C ATOM 535 CD1 LEU A 30 10.100 6.840 -3.487 1.00 0.00 C ATOM 536 CD2 LEU A 30 8.400 7.816 -5.040 1.00 0.00 C ATOM 0 H LEU A 30 11.235 4.097 -4.464 1.00 0.00 H new ATOM 0 HA LEU A 30 8.337 3.870 -4.081 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.951 5.615 -5.909 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.214 5.408 -6.017 1.00 0.00 H new ATOM 0 HG LEU A 30 8.077 6.247 -3.623 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.901 7.662 -2.799 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.366 5.948 -2.920 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.925 7.110 -4.146 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.263 8.621 -4.318 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.153 8.109 -5.772 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.456 7.621 -5.549 1.00 0.00 H new ATOM 548 N ALA A 31 8.121 2.204 -5.881 1.00 0.00 N ATOM 549 CA ALA A 31 7.970 1.159 -6.852 1.00 0.00 C ATOM 550 C ALA A 31 7.116 1.591 -8.009 1.00 0.00 C ATOM 551 O ALA A 31 6.356 2.539 -7.927 1.00 0.00 O ATOM 552 CB ALA A 31 7.421 -0.112 -6.230 1.00 0.00 C ATOM 0 H ALA A 31 7.332 2.300 -5.242 1.00 0.00 H new ATOM 0 HA ALA A 31 8.968 0.943 -7.234 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.321 -0.879 -6.998 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.103 -0.461 -5.454 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.444 0.090 -5.790 1.00 0.00 H new ATOM 558 N LYS A 32 7.274 0.910 -9.076 1.00 0.00 N ATOM 559 CA LYS A 32 6.519 1.125 -10.257 1.00 0.00 C ATOM 560 C LYS A 32 5.558 -0.007 -10.378 1.00 0.00 C ATOM 561 O LYS A 32 5.971 -1.170 -10.281 1.00 0.00 O ATOM 562 CB LYS A 32 7.460 1.159 -11.466 1.00 0.00 C ATOM 563 CG LYS A 32 6.788 1.300 -12.831 1.00 0.00 C ATOM 564 CD LYS A 32 7.839 1.367 -13.923 1.00 0.00 C ATOM 565 CE LYS A 32 7.247 1.617 -15.307 1.00 0.00 C ATOM 566 NZ LYS A 32 6.326 0.551 -15.758 1.00 0.00 N ATOM 0 H LYS A 32 7.957 0.157 -9.160 1.00 0.00 H new ATOM 0 HA LYS A 32 5.984 2.074 -10.217 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.155 1.989 -11.338 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.052 0.244 -11.467 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.123 0.455 -13.007 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.173 2.200 -12.851 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.548 2.161 -13.689 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.400 0.433 -13.937 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.713 2.567 -15.298 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.059 1.714 -16.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.651 0.175 -16.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.310 -0.215 -15.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.368 0.942 -15.865 1.00 0.00 H new ATOM 580 N ALA A 33 4.291 0.301 -10.502 1.00 0.00 N ATOM 581 CA ALA A 33 3.312 -0.707 -10.745 1.00 0.00 C ATOM 582 C ALA A 33 3.597 -1.315 -12.100 1.00 0.00 C ATOM 583 O ALA A 33 3.464 -0.647 -13.123 1.00 0.00 O ATOM 584 CB ALA A 33 1.937 -0.100 -10.716 1.00 0.00 C ATOM 0 H ALA A 33 3.921 1.249 -10.437 1.00 0.00 H new ATOM 0 HA ALA A 33 3.355 -1.478 -9.976 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.193 -0.875 -10.902 1.00 0.00 H new ATOM 0 HB2 ALA A 33 1.758 0.348 -9.739 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.862 0.668 -11.486 1.00 0.00 H new ATOM 590 N CYS A 34 4.044 -2.531 -12.088 1.00 0.00 N ATOM 591 CA CYS A 34 4.417 -3.235 -13.285 1.00 0.00 C ATOM 592 C CYS A 34 3.183 -3.865 -13.901 1.00 0.00 C ATOM 593 O CYS A 34 3.152 -4.176 -15.085 1.00 0.00 O ATOM 594 CB CYS A 34 5.477 -4.307 -12.947 1.00 0.00 C ATOM 595 SG CYS A 34 6.136 -5.224 -14.361 1.00 0.00 S ATOM 0 H CYS A 34 4.164 -3.076 -11.234 1.00 0.00 H new ATOM 0 HA CYS A 34 4.850 -2.542 -14.006 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.307 -3.823 -12.432 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.039 -5.018 -12.247 1.00 0.00 H new ATOM 0 HG CYS A 34 7.262 -4.693 -14.736 1.00 0.00 H new ATOM 601 N CYS A 35 2.153 -4.011 -13.105 1.00 0.00 N ATOM 602 CA CYS A 35 0.936 -4.619 -13.557 1.00 0.00 C ATOM 603 C CYS A 35 -0.246 -3.937 -12.891 1.00 0.00 C ATOM 604 O CYS A 35 -0.137 -3.472 -11.760 1.00 0.00 O ATOM 605 CB CYS A 35 0.956 -6.124 -13.221 1.00 0.00 C ATOM 606 SG CYS A 35 -0.465 -7.071 -13.818 1.00 0.00 S ATOM 0 H CYS A 35 2.139 -3.712 -12.130 1.00 0.00 H new ATOM 0 HA CYS A 35 0.843 -4.505 -14.637 1.00 0.00 H new ATOM 0 HB2 CYS A 35 1.863 -6.560 -13.639 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.017 -6.237 -12.139 1.00 0.00 H new ATOM 0 HG CYS A 35 -0.330 -8.318 -13.476 1.00 0.00 H new ATOM 612 N ASP A 36 -1.330 -3.816 -13.618 1.00 0.00 N ATOM 613 CA ASP A 36 -2.583 -3.296 -13.094 1.00 0.00 C ATOM 614 C ASP A 36 -3.356 -4.358 -12.391 1.00 0.00 C ATOM 615 O ASP A 36 -3.838 -5.320 -12.993 1.00 0.00 O ATOM 616 CB ASP A 36 -3.419 -2.639 -14.187 1.00 0.00 C ATOM 617 CG ASP A 36 -4.933 -2.580 -13.916 1.00 0.00 C ATOM 618 OD1 ASP A 36 -5.653 -3.559 -14.228 1.00 0.00 O ATOM 619 OD2 ASP A 36 -5.435 -1.545 -13.437 1.00 0.00 O ATOM 0 H ASP A 36 -1.374 -4.077 -14.603 1.00 0.00 H new ATOM 0 HA ASP A 36 -2.335 -2.525 -12.364 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.054 -1.623 -14.338 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.255 -3.179 -15.120 1.00 0.00 H new ATOM 624 N VAL A 37 -3.347 -4.260 -11.130 1.00 0.00 N ATOM 625 CA VAL A 37 -4.110 -5.133 -10.292 1.00 0.00 C ATOM 626 C VAL A 37 -5.163 -4.318 -9.531 1.00 0.00 C ATOM 627 O VAL A 37 -4.961 -3.128 -9.255 1.00 0.00 O ATOM 628 CB VAL A 37 -3.210 -5.908 -9.309 1.00 0.00 C ATOM 629 CG1 VAL A 37 -2.639 -5.000 -8.283 1.00 0.00 C ATOM 630 CG2 VAL A 37 -3.942 -7.042 -8.651 1.00 0.00 C ATOM 0 H VAL A 37 -2.804 -3.562 -10.621 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.606 -5.870 -10.924 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.395 -6.335 -9.893 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.008 -5.571 -7.602 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.042 -4.230 -8.771 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.447 -4.531 -7.722 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.270 -7.560 -7.967 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.795 -6.651 -8.096 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.293 -7.739 -9.412 1.00 0.00 H new ATOM 640 N LYS A 38 -6.247 -4.918 -9.199 1.00 0.00 N ATOM 641 CA LYS A 38 -7.206 -4.284 -8.355 1.00 0.00 C ATOM 642 C LYS A 38 -7.491 -5.164 -7.158 1.00 0.00 C ATOM 643 O LYS A 38 -8.567 -5.746 -7.020 1.00 0.00 O ATOM 644 CB LYS A 38 -8.499 -3.831 -9.082 1.00 0.00 C ATOM 645 CG LYS A 38 -9.168 -4.886 -9.956 1.00 0.00 C ATOM 646 CD LYS A 38 -8.550 -4.958 -11.359 1.00 0.00 C ATOM 647 CE LYS A 38 -8.766 -3.655 -12.139 1.00 0.00 C ATOM 648 NZ LYS A 38 -8.211 -3.708 -13.511 1.00 0.00 N ATOM 0 H LYS A 38 -6.499 -5.859 -9.501 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.761 -3.350 -8.012 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.217 -3.497 -8.333 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.261 -2.968 -9.704 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.084 -5.860 -9.474 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.232 -4.663 -10.041 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.482 -5.161 -11.277 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.991 -5.789 -11.909 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.834 -3.441 -12.192 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.303 -2.831 -11.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.648 -2.963 -14.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.182 -3.561 -13.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.413 -4.637 -13.932 1.00 0.00 H new ATOM 662 N GLY A 39 -6.482 -5.317 -6.329 1.00 0.00 N ATOM 663 CA GLY A 39 -6.622 -6.125 -5.152 1.00 0.00 C ATOM 664 C GLY A 39 -6.661 -7.608 -5.448 1.00 0.00 C ATOM 665 O GLY A 39 -7.643 -8.290 -5.145 1.00 0.00 O ATOM 0 H GLY A 39 -5.563 -4.892 -6.452 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.792 -5.918 -4.476 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.536 -5.841 -4.631 1.00 0.00 H new ATOM 669 N GLY A 40 -5.618 -8.097 -6.057 1.00 0.00 N ATOM 670 CA GLY A 40 -5.529 -9.499 -6.399 1.00 0.00 C ATOM 671 C GLY A 40 -4.995 -10.296 -5.239 1.00 0.00 C ATOM 672 O GLY A 40 -3.805 -10.241 -4.951 1.00 0.00 O ATOM 0 H GLY A 40 -4.807 -7.543 -6.332 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.513 -9.873 -6.681 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.879 -9.627 -7.265 1.00 0.00 H new ATOM 676 N LYS A 41 -5.883 -11.033 -4.589 1.00 0.00 N ATOM 677 CA LYS A 41 -5.583 -11.810 -3.379 1.00 0.00 C ATOM 678 C LYS A 41 -5.024 -10.911 -2.277 1.00 0.00 C ATOM 679 O LYS A 41 -3.826 -10.983 -1.953 1.00 0.00 O ATOM 680 CB LYS A 41 -4.629 -12.992 -3.655 1.00 0.00 C ATOM 681 CG LYS A 41 -5.155 -14.001 -4.657 1.00 0.00 C ATOM 682 CD LYS A 41 -4.178 -15.145 -4.849 1.00 0.00 C ATOM 683 CE LYS A 41 -4.702 -16.151 -5.856 1.00 0.00 C ATOM 684 NZ LYS A 41 -3.776 -17.290 -6.034 1.00 0.00 N ATOM 0 H LYS A 41 -6.855 -11.114 -4.888 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.527 -12.236 -3.038 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.679 -12.599 -4.018 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.424 -13.505 -2.715 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.113 -14.392 -4.315 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.335 -13.509 -5.613 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.218 -14.754 -5.187 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -4.002 -15.640 -3.894 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.673 -16.521 -5.527 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.857 -15.657 -6.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.172 -17.954 -6.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.857 -16.941 -6.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.647 -17.778 -5.125 1.00 0.00 H new ATOM 698 N ASN A 42 -5.894 -10.047 -1.733 1.00 0.00 N ATOM 699 CA ASN A 42 -5.527 -9.046 -0.712 1.00 0.00 C ATOM 700 C ASN A 42 -4.381 -8.199 -1.213 1.00 0.00 C ATOM 701 O ASN A 42 -3.212 -8.502 -0.954 1.00 0.00 O ATOM 702 CB ASN A 42 -5.195 -9.660 0.676 1.00 0.00 C ATOM 703 CG ASN A 42 -6.405 -10.190 1.437 1.00 0.00 C ATOM 704 OD1 ASN A 42 -7.057 -9.456 2.182 1.00 0.00 O ATOM 705 ND2 ASN A 42 -6.693 -11.456 1.304 1.00 0.00 N ATOM 0 H ASN A 42 -6.881 -10.021 -1.989 1.00 0.00 H new ATOM 0 HA ASN A 42 -6.407 -8.423 -0.554 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -4.483 -10.474 0.539 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.701 -8.903 1.285 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.473 -11.859 1.823 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.138 -12.043 0.681 1.00 0.00 H new ATOM 712 N GLU A 43 -4.693 -7.185 -1.978 1.00 0.00 N ATOM 713 CA GLU A 43 -3.667 -6.400 -2.596 1.00 0.00 C ATOM 714 C GLU A 43 -4.164 -4.972 -2.758 1.00 0.00 C ATOM 715 O GLU A 43 -5.260 -4.640 -2.290 1.00 0.00 O ATOM 716 CB GLU A 43 -3.324 -7.050 -3.938 1.00 0.00 C ATOM 717 CG GLU A 43 -2.001 -6.649 -4.545 1.00 0.00 C ATOM 718 CD GLU A 43 -1.446 -7.748 -5.396 1.00 0.00 C ATOM 719 OE1 GLU A 43 -0.915 -8.705 -4.813 1.00 0.00 O ATOM 720 OE2 GLU A 43 -1.526 -7.681 -6.628 1.00 0.00 O ATOM 0 H GLU A 43 -5.647 -6.888 -2.185 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.764 -6.363 -1.987 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.329 -8.132 -3.808 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.115 -6.811 -4.649 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.131 -5.749 -5.146 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.293 -6.404 -3.753 1.00 0.00 H new ATOM 727 N LEU A 44 -3.377 -4.147 -3.395 1.00 0.00 N ATOM 728 CA LEU A 44 -3.710 -2.762 -3.599 1.00 0.00 C ATOM 729 C LEU A 44 -4.276 -2.625 -4.994 1.00 0.00 C ATOM 730 O LEU A 44 -4.096 -3.511 -5.833 1.00 0.00 O ATOM 731 CB LEU A 44 -2.414 -1.935 -3.517 1.00 0.00 C ATOM 732 CG LEU A 44 -2.480 -0.567 -2.806 1.00 0.00 C ATOM 733 CD1 LEU A 44 -1.134 0.028 -2.767 1.00 0.00 C ATOM 734 CD2 LEU A 44 -3.414 0.409 -3.461 1.00 0.00 C ATOM 0 H LEU A 44 -2.478 -4.420 -3.791 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.427 -2.419 -2.853 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.662 -2.540 -3.011 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.058 -1.768 -4.534 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.865 -0.760 -1.805 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.178 0.995 -2.265 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.460 -0.633 -2.223 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.767 0.164 -3.784 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.408 1.347 -2.906 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.090 0.591 -4.486 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.424 -0.002 -3.468 1.00 0.00 H new ATOM 746 N SER A 45 -4.994 -1.580 -5.222 1.00 0.00 N ATOM 747 CA SER A 45 -5.468 -1.296 -6.522 1.00 0.00 C ATOM 748 C SER A 45 -4.609 -0.217 -7.166 1.00 0.00 C ATOM 749 O SER A 45 -4.486 0.916 -6.651 1.00 0.00 O ATOM 750 CB SER A 45 -6.936 -0.912 -6.488 1.00 0.00 C ATOM 751 OG SER A 45 -7.676 -1.885 -5.763 1.00 0.00 O ATOM 0 H SER A 45 -5.266 -0.902 -4.510 1.00 0.00 H new ATOM 0 HA SER A 45 -5.389 -2.194 -7.135 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.054 0.067 -6.023 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.323 -0.831 -7.504 1.00 0.00 H new ATOM 0 HG SER A 45 -8.622 -1.629 -5.744 1.00 0.00 H new ATOM 757 N PHE A 46 -3.996 -0.581 -8.248 1.00 0.00 N ATOM 758 CA PHE A 46 -3.131 0.277 -9.000 1.00 0.00 C ATOM 759 C PHE A 46 -3.091 -0.193 -10.421 1.00 0.00 C ATOM 760 O PHE A 46 -3.459 -1.322 -10.711 1.00 0.00 O ATOM 761 CB PHE A 46 -1.706 0.326 -8.392 1.00 0.00 C ATOM 762 CG PHE A 46 -1.098 -1.015 -8.079 1.00 0.00 C ATOM 763 CD1 PHE A 46 -0.426 -1.737 -9.045 1.00 0.00 C ATOM 764 CD2 PHE A 46 -1.188 -1.539 -6.810 1.00 0.00 C ATOM 765 CE1 PHE A 46 0.144 -2.956 -8.751 1.00 0.00 C ATOM 766 CE2 PHE A 46 -0.626 -2.754 -6.509 1.00 0.00 C ATOM 767 CZ PHE A 46 0.046 -3.464 -7.482 1.00 0.00 C ATOM 0 H PHE A 46 -4.086 -1.515 -8.647 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.525 1.293 -8.964 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -1.050 0.852 -9.086 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.739 0.915 -7.476 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.346 -1.340 -10.046 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.708 -0.987 -6.041 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.666 -3.509 -9.518 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.710 -3.155 -5.510 1.00 0.00 H new ATOM 0 HZ PHE A 46 0.494 -4.418 -7.244 1.00 0.00 H new ATOM 777 N LYS A 47 -2.632 0.636 -11.278 1.00 0.00 N ATOM 778 CA LYS A 47 -2.564 0.331 -12.669 1.00 0.00 C ATOM 779 C LYS A 47 -1.128 0.363 -13.039 1.00 0.00 C ATOM 780 O LYS A 47 -0.339 0.996 -12.333 1.00 0.00 O ATOM 781 CB LYS A 47 -3.303 1.386 -13.499 1.00 0.00 C ATOM 782 CG LYS A 47 -4.779 1.568 -13.172 1.00 0.00 C ATOM 783 CD LYS A 47 -5.379 2.690 -14.008 1.00 0.00 C ATOM 784 CE LYS A 47 -4.712 4.017 -13.683 1.00 0.00 C ATOM 785 NZ LYS A 47 -5.160 5.120 -14.555 1.00 0.00 N ATOM 0 H LYS A 47 -2.285 1.564 -11.037 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.024 -0.638 -12.863 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.800 2.344 -13.367 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.213 1.121 -14.553 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.316 0.639 -13.362 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.897 1.794 -12.112 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.257 2.466 -15.068 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.450 2.759 -13.818 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.919 4.276 -12.645 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.632 3.906 -13.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.671 5.997 -14.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.939 4.891 -15.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.187 5.250 -14.450 1.00 0.00 H new ATOM 799 N GLN A 48 -0.773 -0.324 -14.086 1.00 0.00 N ATOM 800 CA GLN A 48 0.594 -0.294 -14.609 1.00 0.00 C ATOM 801 C GLN A 48 1.047 1.196 -14.792 1.00 0.00 C ATOM 802 O GLN A 48 0.438 1.961 -15.566 1.00 0.00 O ATOM 803 CB GLN A 48 0.622 -1.079 -15.945 1.00 0.00 C ATOM 804 CG GLN A 48 1.998 -1.431 -16.545 1.00 0.00 C ATOM 805 CD GLN A 48 2.832 -0.245 -16.982 1.00 0.00 C ATOM 806 OE1 GLN A 48 3.653 0.276 -16.222 1.00 0.00 O ATOM 807 NE2 GLN A 48 2.593 0.224 -18.173 1.00 0.00 N ATOM 0 H GLN A 48 -1.409 -0.924 -14.612 1.00 0.00 H new ATOM 0 HA GLN A 48 1.292 -0.765 -13.917 1.00 0.00 H new ATOM 0 HB2 GLN A 48 0.073 -2.009 -15.798 1.00 0.00 H new ATOM 0 HB3 GLN A 48 0.073 -0.498 -16.686 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.563 -2.001 -15.807 1.00 0.00 H new ATOM 0 HG3 GLN A 48 1.846 -2.084 -17.404 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.907 -0.234 -18.773 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.092 1.049 -18.506 1.00 0.00 H new ATOM 816 N GLY A 49 2.067 1.592 -14.033 1.00 0.00 N ATOM 817 CA GLY A 49 2.619 2.938 -14.122 1.00 0.00 C ATOM 818 C GLY A 49 2.037 3.938 -13.121 1.00 0.00 C ATOM 819 O GLY A 49 2.190 5.149 -13.293 1.00 0.00 O ATOM 0 H GLY A 49 2.528 0.995 -13.347 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.698 2.884 -13.974 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.454 3.317 -15.131 1.00 0.00 H new ATOM 823 N GLU A 50 1.394 3.454 -12.076 1.00 0.00 N ATOM 824 CA GLU A 50 0.767 4.351 -11.078 1.00 0.00 C ATOM 825 C GLU A 50 1.723 4.932 -10.053 1.00 0.00 C ATOM 826 O GLU A 50 1.415 5.943 -9.438 1.00 0.00 O ATOM 827 CB GLU A 50 -0.374 3.673 -10.360 1.00 0.00 C ATOM 828 CG GLU A 50 -1.630 3.568 -11.181 1.00 0.00 C ATOM 829 CD GLU A 50 -2.137 4.893 -11.659 1.00 0.00 C ATOM 830 OE1 GLU A 50 -2.921 5.522 -10.939 1.00 0.00 O ATOM 831 OE2 GLU A 50 -1.787 5.311 -12.781 1.00 0.00 O ATOM 0 H GLU A 50 1.283 2.459 -11.882 1.00 0.00 H new ATOM 0 HA GLU A 50 0.397 5.187 -11.672 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.061 2.672 -10.063 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.594 4.223 -9.445 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.441 2.927 -12.042 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.405 3.083 -10.587 1.00 0.00 H new ATOM 838 N GLN A 51 2.841 4.271 -9.874 1.00 0.00 N ATOM 839 CA GLN A 51 3.896 4.659 -8.902 1.00 0.00 C ATOM 840 C GLN A 51 3.438 4.387 -7.458 1.00 0.00 C ATOM 841 O GLN A 51 2.558 5.064 -6.902 1.00 0.00 O ATOM 842 CB GLN A 51 4.369 6.122 -9.088 1.00 0.00 C ATOM 843 CG GLN A 51 5.484 6.555 -8.148 1.00 0.00 C ATOM 844 CD GLN A 51 5.863 8.009 -8.334 1.00 0.00 C ATOM 845 OE1 GLN A 51 6.741 8.340 -9.135 1.00 0.00 O ATOM 846 NE2 GLN A 51 5.219 8.880 -7.606 1.00 0.00 N ATOM 0 H GLN A 51 3.070 3.427 -10.399 1.00 0.00 H new ATOM 0 HA GLN A 51 4.764 4.032 -9.105 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.708 6.252 -10.116 1.00 0.00 H new ATOM 0 HB3 GLN A 51 3.516 6.786 -8.948 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.170 6.393 -7.117 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.361 5.929 -8.316 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.499 8.567 -6.954 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.436 9.873 -7.689 1.00 0.00 H new ATOM 855 N ILE A 52 4.041 3.405 -6.873 1.00 0.00 N ATOM 856 CA ILE A 52 3.683 2.902 -5.568 1.00 0.00 C ATOM 857 C ILE A 52 4.869 3.146 -4.638 1.00 0.00 C ATOM 858 O ILE A 52 5.944 3.461 -5.100 1.00 0.00 O ATOM 859 CB ILE A 52 3.427 1.367 -5.679 1.00 0.00 C ATOM 860 CG1 ILE A 52 2.573 1.081 -6.923 1.00 0.00 C ATOM 861 CG2 ILE A 52 2.742 0.813 -4.426 1.00 0.00 C ATOM 862 CD1 ILE A 52 2.175 -0.346 -7.067 1.00 0.00 C ATOM 0 H ILE A 52 4.824 2.907 -7.296 1.00 0.00 H new ATOM 0 HA ILE A 52 2.789 3.396 -5.188 1.00 0.00 H new ATOM 0 HB ILE A 52 4.391 0.866 -5.770 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.674 1.696 -6.884 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.128 1.384 -7.810 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.581 -0.259 -4.543 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.374 0.992 -3.556 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.782 1.311 -4.286 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.575 -0.467 -7.969 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.068 -0.967 -7.139 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.591 -0.650 -6.198 1.00 0.00 H new ATOM 874 N GLU A 53 4.681 3.042 -3.366 1.00 0.00 N ATOM 875 CA GLU A 53 5.779 3.166 -2.432 1.00 0.00 C ATOM 876 C GLU A 53 5.918 1.840 -1.722 1.00 0.00 C ATOM 877 O GLU A 53 4.910 1.246 -1.346 1.00 0.00 O ATOM 878 CB GLU A 53 5.459 4.189 -1.384 1.00 0.00 C ATOM 879 CG GLU A 53 4.734 5.423 -1.892 1.00 0.00 C ATOM 880 CD GLU A 53 4.120 6.209 -0.775 1.00 0.00 C ATOM 881 OE1 GLU A 53 4.825 7.016 -0.131 1.00 0.00 O ATOM 882 OE2 GLU A 53 2.922 6.031 -0.491 1.00 0.00 O ATOM 0 H GLU A 53 3.773 2.870 -2.934 1.00 0.00 H new ATOM 0 HA GLU A 53 6.682 3.454 -2.969 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.848 3.719 -0.613 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.388 4.502 -0.908 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.433 6.055 -2.439 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.957 5.124 -2.595 1.00 0.00 H new ATOM 889 N ILE A 54 7.122 1.366 -1.549 1.00 0.00 N ATOM 890 CA ILE A 54 7.331 0.142 -0.806 1.00 0.00 C ATOM 891 C ILE A 54 7.737 0.501 0.619 1.00 0.00 C ATOM 892 O ILE A 54 8.724 1.213 0.838 1.00 0.00 O ATOM 893 CB ILE A 54 8.380 -0.837 -1.473 1.00 0.00 C ATOM 894 CG1 ILE A 54 8.552 -2.114 -0.659 1.00 0.00 C ATOM 895 CG2 ILE A 54 9.723 -0.197 -1.699 1.00 0.00 C ATOM 896 CD1 ILE A 54 7.341 -2.985 -0.631 1.00 0.00 C ATOM 0 H ILE A 54 7.972 1.802 -1.908 1.00 0.00 H new ATOM 0 HA ILE A 54 6.392 -0.412 -0.806 1.00 0.00 H new ATOM 0 HB ILE A 54 7.965 -1.087 -2.449 1.00 0.00 H new ATOM 0 HG12 ILE A 54 9.387 -2.683 -1.068 1.00 0.00 H new ATOM 0 HG13 ILE A 54 8.819 -1.847 0.364 1.00 0.00 H new ATOM 0 HG21 ILE A 54 10.398 -0.919 -2.159 1.00 0.00 H new ATOM 0 HG22 ILE A 54 9.610 0.664 -2.358 1.00 0.00 H new ATOM 0 HG23 ILE A 54 10.136 0.129 -0.744 1.00 0.00 H new ATOM 0 HD11 ILE A 54 7.545 -3.872 -0.032 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.508 -2.435 -0.193 1.00 0.00 H new ATOM 0 HD13 ILE A 54 7.085 -3.284 -1.647 1.00 0.00 H new ATOM 908 N ILE A 55 6.952 0.077 1.564 1.00 0.00 N ATOM 909 CA ILE A 55 7.239 0.354 2.954 1.00 0.00 C ATOM 910 C ILE A 55 7.809 -0.853 3.682 1.00 0.00 C ATOM 911 O ILE A 55 8.886 -0.772 4.266 1.00 0.00 O ATOM 912 CB ILE A 55 6.050 0.996 3.762 1.00 0.00 C ATOM 913 CG1 ILE A 55 4.671 0.359 3.433 1.00 0.00 C ATOM 914 CG2 ILE A 55 6.016 2.510 3.573 1.00 0.00 C ATOM 915 CD1 ILE A 55 4.018 0.880 2.164 1.00 0.00 C ATOM 0 H ILE A 55 6.103 -0.465 1.404 1.00 0.00 H new ATOM 0 HA ILE A 55 8.010 1.123 2.913 1.00 0.00 H new ATOM 0 HB ILE A 55 6.241 0.780 4.813 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.796 -0.720 3.344 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.996 0.534 4.271 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.186 2.929 4.141 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.952 2.942 3.926 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.886 2.742 2.516 1.00 0.00 H new ATOM 0 HD11 ILE A 55 3.061 0.379 2.015 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.855 1.954 2.253 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.668 0.681 1.312 1.00 0.00 H new ATOM 927 N ARG A 56 7.142 -1.984 3.626 1.00 0.00 N ATOM 928 CA ARG A 56 7.643 -3.128 4.343 1.00 0.00 C ATOM 929 C ARG A 56 7.868 -4.284 3.381 1.00 0.00 C ATOM 930 O ARG A 56 6.968 -4.657 2.623 1.00 0.00 O ATOM 931 CB ARG A 56 6.689 -3.550 5.464 1.00 0.00 C ATOM 932 CG ARG A 56 7.247 -4.608 6.433 1.00 0.00 C ATOM 933 CD ARG A 56 7.994 -4.044 7.649 1.00 0.00 C ATOM 934 NE ARG A 56 9.295 -3.410 7.367 1.00 0.00 N ATOM 935 CZ ARG A 56 10.081 -2.836 8.304 1.00 0.00 C ATOM 936 NH1 ARG A 56 9.634 -2.664 9.549 1.00 0.00 N ATOM 937 NH2 ARG A 56 11.304 -2.418 7.986 1.00 0.00 N ATOM 0 H ARG A 56 6.277 -2.133 3.107 1.00 0.00 H new ATOM 0 HA ARG A 56 8.592 -2.850 4.802 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.413 -2.665 6.037 1.00 0.00 H new ATOM 0 HB3 ARG A 56 5.774 -3.937 5.015 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.422 -5.226 6.787 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.922 -5.263 5.882 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.352 -3.311 8.137 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.153 -4.854 8.361 1.00 0.00 H new ATOM 0 HE ARG A 56 9.623 -3.404 6.401 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.693 -2.967 9.799 1.00 0.00 H new ATOM 0 HH12 ARG A 56 10.234 -2.230 10.251 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.650 -2.531 7.033 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.895 -1.985 8.695 1.00 0.00 H new ATOM 951 N ILE A 57 9.074 -4.786 3.367 1.00 0.00 N ATOM 952 CA ILE A 57 9.429 -5.968 2.582 1.00 0.00 C ATOM 953 C ILE A 57 9.788 -7.121 3.490 1.00 0.00 C ATOM 954 O ILE A 57 9.691 -8.289 3.115 1.00 0.00 O ATOM 955 CB ILE A 57 10.606 -5.754 1.556 1.00 0.00 C ATOM 956 CG1 ILE A 57 11.790 -4.938 2.121 1.00 0.00 C ATOM 957 CG2 ILE A 57 10.109 -5.139 0.276 1.00 0.00 C ATOM 958 CD1 ILE A 57 11.540 -3.441 2.165 1.00 0.00 C ATOM 0 H ILE A 57 9.851 -4.394 3.898 1.00 0.00 H new ATOM 0 HA ILE A 57 8.536 -6.186 1.996 1.00 0.00 H new ATOM 0 HB ILE A 57 10.993 -6.752 1.349 1.00 0.00 H new ATOM 0 HG12 ILE A 57 12.012 -5.289 3.129 1.00 0.00 H new ATOM 0 HG13 ILE A 57 12.674 -5.131 1.514 1.00 0.00 H new ATOM 0 HG21 ILE A 57 10.944 -5.004 -0.411 1.00 0.00 H new ATOM 0 HG22 ILE A 57 9.367 -5.795 -0.179 1.00 0.00 H new ATOM 0 HG23 ILE A 57 9.655 -4.171 0.490 1.00 0.00 H new ATOM 0 HD11 ILE A 57 12.416 -2.938 2.573 1.00 0.00 H new ATOM 0 HD12 ILE A 57 11.348 -3.074 1.157 1.00 0.00 H new ATOM 0 HD13 ILE A 57 10.676 -3.235 2.797 1.00 0.00 H new ATOM 970 N THR A 58 10.191 -6.792 4.683 1.00 0.00 N ATOM 971 CA THR A 58 10.627 -7.753 5.639 1.00 0.00 C ATOM 972 C THR A 58 9.479 -8.240 6.512 1.00 0.00 C ATOM 973 O THR A 58 8.516 -7.500 6.738 1.00 0.00 O ATOM 974 CB THR A 58 11.731 -7.128 6.482 1.00 0.00 C ATOM 975 OG1 THR A 58 11.319 -5.804 6.880 1.00 0.00 O ATOM 976 CG2 THR A 58 13.006 -7.033 5.664 1.00 0.00 C ATOM 0 H THR A 58 10.224 -5.830 5.019 1.00 0.00 H new ATOM 0 HA THR A 58 11.011 -8.629 5.117 1.00 0.00 H new ATOM 0 HB THR A 58 11.915 -7.743 7.363 1.00 0.00 H new ATOM 0 HG1 THR A 58 12.022 -5.393 7.425 1.00 0.00 H new ATOM 0 HG21 THR A 58 13.794 -6.585 6.269 1.00 0.00 H new ATOM 0 HG22 THR A 58 13.312 -8.031 5.350 1.00 0.00 H new ATOM 0 HG23 THR A 58 12.829 -6.414 4.784 1.00 0.00 H new ATOM 984 N ASP A 59 9.590 -9.489 6.972 1.00 0.00 N ATOM 985 CA ASP A 59 8.573 -10.161 7.798 1.00 0.00 C ATOM 986 C ASP A 59 7.271 -10.222 7.008 1.00 0.00 C ATOM 987 O ASP A 59 6.227 -9.724 7.428 1.00 0.00 O ATOM 988 CB ASP A 59 8.365 -9.453 9.165 1.00 0.00 C ATOM 989 CG ASP A 59 7.676 -10.331 10.213 1.00 0.00 C ATOM 990 OD1 ASP A 59 6.486 -10.661 10.084 1.00 0.00 O ATOM 991 OD2 ASP A 59 8.343 -10.713 11.208 1.00 0.00 O ATOM 0 H ASP A 59 10.402 -10.075 6.780 1.00 0.00 H new ATOM 0 HA ASP A 59 8.917 -11.169 8.028 1.00 0.00 H new ATOM 0 HB2 ASP A 59 9.334 -9.134 9.550 1.00 0.00 H new ATOM 0 HB3 ASP A 59 7.771 -8.552 9.011 1.00 0.00 H new ATOM 996 N ASN A 60 7.360 -10.791 5.825 1.00 0.00 N ATOM 997 CA ASN A 60 6.219 -10.880 4.925 1.00 0.00 C ATOM 998 C ASN A 60 5.502 -12.239 5.055 1.00 0.00 C ATOM 999 O ASN A 60 6.044 -13.292 4.684 1.00 0.00 O ATOM 1000 CB ASN A 60 6.626 -10.531 3.460 1.00 0.00 C ATOM 1001 CG ASN A 60 7.652 -11.460 2.813 1.00 0.00 C ATOM 1002 OD1 ASN A 60 8.430 -12.128 3.485 1.00 0.00 O ATOM 1003 ND2 ASN A 60 7.703 -11.447 1.505 1.00 0.00 N ATOM 0 H ASN A 60 8.217 -11.204 5.457 1.00 0.00 H new ATOM 0 HA ASN A 60 5.488 -10.128 5.223 1.00 0.00 H new ATOM 0 HB2 ASN A 60 5.727 -10.530 2.844 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.024 -9.516 3.446 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.405 -12.003 1.016 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.041 -10.881 0.974 1.00 0.00 H new ATOM 1010 N PRO A 61 4.282 -12.224 5.642 1.00 0.00 N ATOM 1011 CA PRO A 61 3.481 -13.440 5.921 1.00 0.00 C ATOM 1012 C PRO A 61 3.087 -14.238 4.670 1.00 0.00 C ATOM 1013 O PRO A 61 3.459 -15.400 4.528 1.00 0.00 O ATOM 1014 CB PRO A 61 2.233 -12.890 6.625 1.00 0.00 C ATOM 1015 CG PRO A 61 2.643 -11.556 7.129 1.00 0.00 C ATOM 1016 CD PRO A 61 3.578 -11.013 6.099 1.00 0.00 C ATOM 0 HA PRO A 61 4.055 -14.154 6.511 1.00 0.00 H new ATOM 0 HB2 PRO A 61 1.392 -12.812 5.936 1.00 0.00 H new ATOM 0 HB3 PRO A 61 1.918 -13.542 7.440 1.00 0.00 H new ATOM 0 HG2 PRO A 61 1.780 -10.903 7.259 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.132 -11.636 8.100 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.045 -10.521 5.285 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.264 -10.278 6.520 1.00 0.00 H new ATOM 1024 N GLU A 62 2.356 -13.613 3.760 1.00 0.00 N ATOM 1025 CA GLU A 62 1.910 -14.289 2.533 1.00 0.00 C ATOM 1026 C GLU A 62 3.018 -14.376 1.517 1.00 0.00 C ATOM 1027 O GLU A 62 2.928 -15.139 0.550 1.00 0.00 O ATOM 1028 CB GLU A 62 0.696 -13.606 1.903 1.00 0.00 C ATOM 1029 CG GLU A 62 -0.653 -13.995 2.482 1.00 0.00 C ATOM 1030 CD GLU A 62 -0.797 -13.739 3.954 1.00 0.00 C ATOM 1031 OE1 GLU A 62 -0.970 -12.571 4.345 1.00 0.00 O ATOM 1032 OE2 GLU A 62 -0.772 -14.701 4.750 1.00 0.00 O ATOM 0 H GLU A 62 2.055 -12.642 3.840 1.00 0.00 H new ATOM 0 HA GLU A 62 1.619 -15.296 2.832 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.816 -12.527 2.003 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.690 -13.828 0.836 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.433 -13.447 1.953 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.823 -15.055 2.292 1.00 0.00 H new ATOM 1039 N GLY A 63 4.032 -13.567 1.704 1.00 0.00 N ATOM 1040 CA GLY A 63 5.158 -13.573 0.814 1.00 0.00 C ATOM 1041 C GLY A 63 5.099 -12.419 -0.141 1.00 0.00 C ATOM 1042 O GLY A 63 5.922 -12.293 -1.040 1.00 0.00 O ATOM 0 H GLY A 63 4.097 -12.895 2.469 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.081 -13.524 1.391 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.179 -14.509 0.256 1.00 0.00 H new ATOM 1046 N LYS A 64 4.137 -11.566 0.063 1.00 0.00 N ATOM 1047 CA LYS A 64 3.978 -10.416 -0.758 1.00 0.00 C ATOM 1048 C LYS A 64 4.444 -9.187 0.028 1.00 0.00 C ATOM 1049 O LYS A 64 4.521 -9.248 1.250 1.00 0.00 O ATOM 1050 CB LYS A 64 2.518 -10.332 -1.294 1.00 0.00 C ATOM 1051 CG LYS A 64 1.391 -10.150 -0.280 1.00 0.00 C ATOM 1052 CD LYS A 64 0.191 -11.071 -0.609 1.00 0.00 C ATOM 1053 CE LYS A 64 -0.330 -10.955 -2.066 1.00 0.00 C ATOM 1054 NZ LYS A 64 -1.110 -9.724 -2.346 1.00 0.00 N ATOM 0 H LYS A 64 3.444 -11.654 0.806 1.00 0.00 H new ATOM 0 HA LYS A 64 4.601 -10.473 -1.650 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.469 -9.503 -2.000 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.316 -11.243 -1.857 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.760 -10.372 0.722 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.065 -9.110 -0.277 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.481 -12.105 -0.422 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.626 -10.840 0.075 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.521 -10.993 -2.746 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.953 -11.822 -2.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.201 -9.597 -3.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.056 -9.809 -1.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.620 -8.902 -1.938 1.00 0.00 H new ATOM 1068 N TRP A 65 4.767 -8.118 -0.662 1.00 0.00 N ATOM 1069 CA TRP A 65 5.345 -6.908 -0.059 1.00 0.00 C ATOM 1070 C TRP A 65 4.260 -5.950 0.347 1.00 0.00 C ATOM 1071 O TRP A 65 3.118 -6.193 0.077 1.00 0.00 O ATOM 1072 CB TRP A 65 6.274 -6.218 -1.057 1.00 0.00 C ATOM 1073 CG TRP A 65 7.546 -6.951 -1.351 1.00 0.00 C ATOM 1074 CD1 TRP A 65 8.203 -7.833 -0.532 1.00 0.00 C ATOM 1075 CD2 TRP A 65 8.344 -6.839 -2.542 1.00 0.00 C ATOM 1076 NE1 TRP A 65 9.347 -8.279 -1.146 1.00 0.00 N ATOM 1077 CE2 TRP A 65 9.455 -7.690 -2.379 1.00 0.00 C ATOM 1078 CE3 TRP A 65 8.223 -6.110 -3.737 1.00 0.00 C ATOM 1079 CZ2 TRP A 65 10.433 -7.829 -3.356 1.00 0.00 C ATOM 1080 CZ3 TRP A 65 9.198 -6.253 -4.701 1.00 0.00 C ATOM 1081 CH2 TRP A 65 10.283 -7.108 -4.506 1.00 0.00 C ATOM 0 H TRP A 65 4.640 -8.049 -1.672 1.00 0.00 H new ATOM 0 HA TRP A 65 5.910 -7.204 0.825 1.00 0.00 H new ATOM 0 HB2 TRP A 65 5.733 -6.071 -1.992 1.00 0.00 H new ATOM 0 HB3 TRP A 65 6.523 -5.228 -0.674 1.00 0.00 H new ATOM 0 HD1 TRP A 65 7.870 -8.132 0.451 1.00 0.00 H new ATOM 0 HE1 TRP A 65 10.011 -8.943 -0.748 1.00 0.00 H new ATOM 0 HE3 TRP A 65 7.383 -5.451 -3.897 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 11.280 -8.483 -3.211 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 9.121 -5.694 -5.622 1.00 0.00 H new ATOM 0 HH2 TRP A 65 11.024 -7.202 -5.286 1.00 0.00 H new ATOM 1092 N LEU A 66 4.615 -4.875 1.002 1.00 0.00 N ATOM 1093 CA LEU A 66 3.635 -3.902 1.403 1.00 0.00 C ATOM 1094 C LEU A 66 3.845 -2.617 0.645 1.00 0.00 C ATOM 1095 O LEU A 66 4.833 -1.901 0.876 1.00 0.00 O ATOM 1096 CB LEU A 66 3.695 -3.640 2.910 1.00 0.00 C ATOM 1097 CG LEU A 66 2.667 -2.645 3.449 1.00 0.00 C ATOM 1098 CD1 LEU A 66 1.261 -3.136 3.197 1.00 0.00 C ATOM 1099 CD2 LEU A 66 2.881 -2.403 4.919 1.00 0.00 C ATOM 0 H LEU A 66 5.574 -4.652 1.268 1.00 0.00 H new ATOM 0 HA LEU A 66 2.648 -4.301 1.171 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.564 -4.588 3.431 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.692 -3.275 3.158 1.00 0.00 H new ATOM 0 HG LEU A 66 2.802 -1.702 2.920 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.547 -2.412 3.589 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.104 -3.256 2.125 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.116 -4.095 3.695 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.139 -1.692 5.283 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.779 -3.343 5.461 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.880 -1.998 5.079 1.00 0.00 H new ATOM 1111 N GLY A 67 2.940 -2.331 -0.251 1.00 0.00 N ATOM 1112 CA GLY A 67 3.029 -1.139 -1.029 1.00 0.00 C ATOM 1113 C GLY A 67 1.899 -0.209 -0.702 1.00 0.00 C ATOM 1114 O GLY A 67 0.853 -0.648 -0.230 1.00 0.00 O ATOM 0 H GLY A 67 2.130 -2.915 -0.457 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.981 -0.644 -0.838 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.006 -1.388 -2.090 1.00 0.00 H new ATOM 1118 N ARG A 68 2.098 1.057 -0.926 1.00 0.00 N ATOM 1119 CA ARG A 68 1.087 2.054 -0.655 1.00 0.00 C ATOM 1120 C ARG A 68 0.964 3.007 -1.811 1.00 0.00 C ATOM 1121 O ARG A 68 1.933 3.271 -2.520 1.00 0.00 O ATOM 1122 CB ARG A 68 1.401 2.808 0.644 1.00 0.00 C ATOM 1123 CG ARG A 68 0.429 3.924 1.026 1.00 0.00 C ATOM 1124 CD ARG A 68 0.933 4.711 2.220 1.00 0.00 C ATOM 1125 NE ARG A 68 2.212 5.364 1.955 1.00 0.00 N ATOM 1126 CZ ARG A 68 3.080 5.794 2.879 1.00 0.00 C ATOM 1127 NH1 ARG A 68 2.768 5.741 4.182 1.00 0.00 N ATOM 1128 NH2 ARG A 68 4.233 6.328 2.495 1.00 0.00 N ATOM 0 H ARG A 68 2.967 1.435 -1.303 1.00 0.00 H new ATOM 0 HA ARG A 68 0.130 1.547 -0.527 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.433 2.086 1.460 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.399 3.237 0.559 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.291 4.595 0.178 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.547 3.496 1.256 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.194 5.463 2.494 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.039 4.042 3.074 1.00 0.00 H new ATOM 0 HE ARG A 68 2.467 5.505 0.978 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.864 5.371 4.475 1.00 0.00 H new ATOM 0 HH12 ARG A 68 3.435 6.071 4.880 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.452 6.408 1.502 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.900 6.658 3.193 1.00 0.00 H new ATOM 1142 N THR A 69 -0.232 3.469 -2.013 1.00 0.00 N ATOM 1143 CA THR A 69 -0.527 4.429 -3.043 1.00 0.00 C ATOM 1144 C THR A 69 -0.713 5.799 -2.360 1.00 0.00 C ATOM 1145 O THR A 69 -0.902 5.842 -1.142 1.00 0.00 O ATOM 1146 CB THR A 69 -1.801 3.986 -3.847 1.00 0.00 C ATOM 1147 OG1 THR A 69 -1.986 4.782 -5.028 1.00 0.00 O ATOM 1148 CG2 THR A 69 -3.056 4.062 -2.985 1.00 0.00 C ATOM 0 H THR A 69 -1.044 3.189 -1.462 1.00 0.00 H new ATOM 0 HA THR A 69 0.286 4.497 -3.766 1.00 0.00 H new ATOM 0 HB THR A 69 -1.637 2.951 -4.145 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.786 4.478 -5.505 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.920 3.749 -3.571 1.00 0.00 H new ATOM 0 HG22 THR A 69 -2.945 3.405 -2.123 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.201 5.087 -2.644 1.00 0.00 H new ATOM 1156 N ALA A 70 -0.667 6.883 -3.136 1.00 0.00 N ATOM 1157 CA ALA A 70 -0.743 8.279 -2.631 1.00 0.00 C ATOM 1158 C ALA A 70 -1.941 8.557 -1.693 1.00 0.00 C ATOM 1159 O ALA A 70 -1.873 9.426 -0.815 1.00 0.00 O ATOM 1160 CB ALA A 70 -0.750 9.256 -3.797 1.00 0.00 C ATOM 0 H ALA A 70 -0.575 6.828 -4.150 1.00 0.00 H new ATOM 0 HA ALA A 70 0.148 8.422 -2.019 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.806 10.276 -3.417 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.164 9.135 -4.378 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.613 9.058 -4.432 1.00 0.00 H new ATOM 1166 N ARG A 71 -3.022 7.837 -1.878 1.00 0.00 N ATOM 1167 CA ARG A 71 -4.215 7.983 -1.030 1.00 0.00 C ATOM 1168 C ARG A 71 -3.998 7.305 0.331 1.00 0.00 C ATOM 1169 O ARG A 71 -4.631 7.657 1.339 1.00 0.00 O ATOM 1170 CB ARG A 71 -5.454 7.439 -1.806 1.00 0.00 C ATOM 1171 CG ARG A 71 -6.808 7.276 -1.075 1.00 0.00 C ATOM 1172 CD ARG A 71 -6.841 6.020 -0.207 1.00 0.00 C ATOM 1173 NE ARG A 71 -8.190 5.632 0.200 1.00 0.00 N ATOM 1174 CZ ARG A 71 -8.458 4.650 1.065 1.00 0.00 C ATOM 1175 NH1 ARG A 71 -7.520 4.225 1.907 1.00 0.00 N ATOM 1176 NH2 ARG A 71 -9.663 4.123 1.110 1.00 0.00 N ATOM 0 H ARG A 71 -3.115 7.134 -2.611 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.402 9.034 -0.808 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -5.621 8.100 -2.656 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.183 6.463 -2.209 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.992 8.152 -0.453 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -7.613 7.231 -1.808 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.384 5.196 -0.755 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.234 6.186 0.683 1.00 0.00 H new ATOM 0 HE ARG A 71 -8.976 6.143 -0.202 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.592 4.649 1.894 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -7.728 3.475 2.566 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -10.393 4.464 0.484 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -9.867 3.373 1.771 1.00 0.00 H new ATOM 1190 N GLY A 72 -3.070 6.401 0.372 1.00 0.00 N ATOM 1191 CA GLY A 72 -2.839 5.641 1.554 1.00 0.00 C ATOM 1192 C GLY A 72 -3.717 4.435 1.571 1.00 0.00 C ATOM 1193 O GLY A 72 -4.823 4.466 2.081 1.00 0.00 O ATOM 0 H GLY A 72 -2.456 6.172 -0.409 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.793 5.339 1.602 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.034 6.254 2.434 1.00 0.00 H new ATOM 1197 N SER A 73 -3.209 3.403 1.006 1.00 0.00 N ATOM 1198 CA SER A 73 -3.818 2.169 0.844 1.00 0.00 C ATOM 1199 C SER A 73 -2.643 1.309 0.808 1.00 0.00 C ATOM 1200 O SER A 73 -1.713 1.576 0.056 1.00 0.00 O ATOM 1201 CB SER A 73 -4.562 2.049 -0.480 1.00 0.00 C ATOM 1202 OG SER A 73 -5.609 3.005 -0.619 1.00 0.00 O ATOM 0 H SER A 73 -2.267 3.420 0.614 1.00 0.00 H new ATOM 0 HA SER A 73 -4.564 1.951 1.608 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.855 2.171 -1.300 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.980 1.046 -0.566 1.00 0.00 H new ATOM 0 HG SER A 73 -6.050 2.883 -1.486 1.00 0.00 H new ATOM 1208 N TYR A 74 -2.632 0.397 1.603 1.00 0.00 N ATOM 1209 CA TYR A 74 -1.528 -0.454 1.782 1.00 0.00 C ATOM 1210 C TYR A 74 -1.897 -1.777 1.267 1.00 0.00 C ATOM 1211 O TYR A 74 -2.364 -2.647 1.999 1.00 0.00 O ATOM 1212 CB TYR A 74 -1.197 -0.556 3.229 1.00 0.00 C ATOM 1213 CG TYR A 74 -0.525 0.627 3.880 1.00 0.00 C ATOM 1214 CD1 TYR A 74 -1.225 1.791 4.142 1.00 0.00 C ATOM 1215 CD2 TYR A 74 0.803 0.558 4.275 1.00 0.00 C ATOM 1216 CE1 TYR A 74 -0.626 2.851 4.771 1.00 0.00 C ATOM 1217 CE2 TYR A 74 1.413 1.615 4.916 1.00 0.00 C ATOM 1218 CZ TYR A 74 0.690 2.761 5.162 1.00 0.00 C ATOM 1219 OH TYR A 74 1.278 3.831 5.795 1.00 0.00 O ATOM 0 H TYR A 74 -3.423 0.174 2.206 1.00 0.00 H new ATOM 0 HA TYR A 74 -0.658 -0.064 1.254 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -2.121 -0.757 3.771 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -0.553 -1.424 3.365 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.261 1.866 3.846 1.00 0.00 H new ATOM 0 HD2 TYR A 74 1.369 -0.340 4.077 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.186 3.755 4.959 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.446 1.545 5.222 1.00 0.00 H new ATOM 0 HH TYR A 74 2.209 3.613 6.009 1.00 0.00 H new ATOM 1229 N GLY A 75 -1.773 -1.917 0.021 1.00 0.00 N ATOM 1230 CA GLY A 75 -2.121 -3.099 -0.561 1.00 0.00 C ATOM 1231 C GLY A 75 -0.927 -3.878 -0.758 1.00 0.00 C ATOM 1232 O GLY A 75 -0.123 -3.579 -1.632 1.00 0.00 O ATOM 0 H GLY A 75 -1.423 -1.202 -0.617 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.826 -3.639 0.070 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.619 -2.920 -1.514 1.00 0.00 H new ATOM 1236 N TYR A 76 -0.737 -4.737 0.166 1.00 0.00 N ATOM 1237 CA TYR A 76 0.288 -5.751 0.153 1.00 0.00 C ATOM 1238 C TYR A 76 0.358 -6.431 -1.212 1.00 0.00 C ATOM 1239 O TYR A 76 -0.396 -7.325 -1.524 1.00 0.00 O ATOM 1240 CB TYR A 76 0.073 -6.761 1.310 1.00 0.00 C ATOM 1241 CG TYR A 76 -1.220 -6.507 2.061 1.00 0.00 C ATOM 1242 CD1 TYR A 76 -2.411 -7.041 1.611 1.00 0.00 C ATOM 1243 CD2 TYR A 76 -1.253 -5.679 3.172 1.00 0.00 C ATOM 1244 CE1 TYR A 76 -3.599 -6.773 2.243 1.00 0.00 C ATOM 1245 CE2 TYR A 76 -2.437 -5.398 3.801 1.00 0.00 C ATOM 1246 CZ TYR A 76 -3.608 -5.945 3.331 1.00 0.00 C ATOM 1247 OH TYR A 76 -4.795 -5.663 3.960 1.00 0.00 O ATOM 0 H TYR A 76 -1.315 -4.769 1.006 1.00 0.00 H new ATOM 0 HA TYR A 76 1.255 -5.277 0.320 1.00 0.00 H new ATOM 0 HB2 TYR A 76 0.065 -7.774 0.908 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.912 -6.700 2.004 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -2.407 -7.683 0.743 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -0.335 -5.251 3.546 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -4.518 -7.212 1.884 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -2.451 -4.749 4.664 1.00 0.00 H new ATOM 0 HH TYR A 76 -4.630 -5.061 4.715 1.00 0.00 H new ATOM 1257 N ILE A 77 1.232 -5.900 -2.012 1.00 0.00 N ATOM 1258 CA ILE A 77 1.489 -6.267 -3.348 1.00 0.00 C ATOM 1259 C ILE A 77 2.145 -7.542 -3.480 1.00 0.00 C ATOM 1260 O ILE A 77 3.079 -7.862 -2.751 1.00 0.00 O ATOM 1261 CB ILE A 77 2.461 -5.290 -3.988 1.00 0.00 C ATOM 1262 CG1 ILE A 77 3.560 -4.877 -2.991 1.00 0.00 C ATOM 1263 CG2 ILE A 77 1.754 -4.101 -4.527 1.00 0.00 C ATOM 1264 CD1 ILE A 77 4.560 -3.920 -3.545 1.00 0.00 C ATOM 0 H ILE A 77 1.830 -5.132 -1.707 1.00 0.00 H new ATOM 0 HA ILE A 77 0.505 -6.286 -3.817 1.00 0.00 H new ATOM 0 HB ILE A 77 2.939 -5.796 -4.826 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.091 -4.428 -2.116 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.080 -5.772 -2.650 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.477 -3.421 -4.978 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.033 -4.417 -5.281 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.232 -3.590 -3.718 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.298 -3.681 -2.779 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.060 -4.371 -4.402 1.00 0.00 H new ATOM 0 HD13 ILE A 77 4.054 -3.007 -3.859 1.00 0.00 H new ATOM 1276 N LYS A 78 1.731 -8.255 -4.433 1.00 0.00 N ATOM 1277 CA LYS A 78 2.460 -9.329 -4.814 1.00 0.00 C ATOM 1278 C LYS A 78 3.616 -8.713 -5.584 1.00 0.00 C ATOM 1279 O LYS A 78 3.452 -7.914 -6.492 1.00 0.00 O ATOM 1280 CB LYS A 78 1.658 -10.330 -5.634 1.00 0.00 C ATOM 1281 CG LYS A 78 1.222 -9.806 -6.954 1.00 0.00 C ATOM 1282 CD LYS A 78 0.383 -10.803 -7.729 1.00 0.00 C ATOM 1283 CE LYS A 78 -0.904 -11.144 -6.984 1.00 0.00 C ATOM 1284 NZ LYS A 78 -1.772 -12.023 -7.782 1.00 0.00 N ATOM 0 H LYS A 78 0.873 -8.094 -4.960 1.00 0.00 H new ATOM 0 HA LYS A 78 2.797 -9.929 -3.969 1.00 0.00 H new ATOM 0 HB2 LYS A 78 2.260 -11.225 -5.789 1.00 0.00 H new ATOM 0 HB3 LYS A 78 0.779 -10.632 -5.064 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.648 -8.891 -6.806 1.00 0.00 H new ATOM 0 HG3 LYS A 78 2.100 -9.540 -7.543 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.140 -10.393 -8.709 1.00 0.00 H new ATOM 0 HD3 LYS A 78 0.959 -11.713 -7.898 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.661 -11.631 -6.040 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.439 -10.226 -6.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.638 -12.235 -7.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.023 -11.548 -8.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.269 -12.909 -7.993 1.00 0.00 H new ATOM 1298 N THR A 79 4.696 -8.958 -5.052 1.00 0.00 N ATOM 1299 CA THR A 79 6.038 -8.590 -5.484 1.00 0.00 C ATOM 1300 C THR A 79 6.195 -8.596 -7.020 1.00 0.00 C ATOM 1301 O THR A 79 6.829 -7.716 -7.595 1.00 0.00 O ATOM 1302 CB THR A 79 7.001 -9.655 -4.899 1.00 0.00 C ATOM 1303 OG1 THR A 79 6.654 -10.940 -5.441 1.00 0.00 O ATOM 1304 CG2 THR A 79 6.838 -9.758 -3.397 1.00 0.00 C ATOM 0 H THR A 79 4.728 -9.490 -4.183 1.00 0.00 H new ATOM 0 HA THR A 79 6.251 -7.578 -5.140 1.00 0.00 H new ATOM 0 HB THR A 79 8.022 -9.365 -5.149 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.258 -11.622 -5.079 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.523 -10.511 -3.007 1.00 0.00 H new ATOM 0 HG22 THR A 79 7.060 -8.794 -2.940 1.00 0.00 H new ATOM 0 HG23 THR A 79 5.813 -10.043 -3.161 1.00 0.00 H new ATOM 1312 N THR A 80 5.587 -9.557 -7.651 1.00 0.00 N ATOM 1313 CA THR A 80 5.627 -9.726 -9.076 1.00 0.00 C ATOM 1314 C THR A 80 4.783 -8.643 -9.825 1.00 0.00 C ATOM 1315 O THR A 80 4.808 -8.585 -11.052 1.00 0.00 O ATOM 1316 CB THR A 80 5.137 -11.163 -9.432 1.00 0.00 C ATOM 1317 OG1 THR A 80 5.215 -11.420 -10.845 1.00 0.00 O ATOM 1318 CG2 THR A 80 3.713 -11.384 -8.937 1.00 0.00 C ATOM 0 H THR A 80 5.032 -10.268 -7.174 1.00 0.00 H new ATOM 0 HA THR A 80 6.657 -9.596 -9.409 1.00 0.00 H new ATOM 0 HB THR A 80 5.802 -11.865 -8.928 1.00 0.00 H new ATOM 0 HG1 THR A 80 5.169 -10.572 -11.335 1.00 0.00 H new ATOM 0 HG21 THR A 80 3.390 -12.393 -9.196 1.00 0.00 H new ATOM 0 HG22 THR A 80 3.680 -11.259 -7.855 1.00 0.00 H new ATOM 0 HG23 THR A 80 3.048 -10.659 -9.406 1.00 0.00 H new ATOM 1326 N ALA A 81 4.050 -7.794 -9.098 1.00 0.00 N ATOM 1327 CA ALA A 81 3.246 -6.776 -9.732 1.00 0.00 C ATOM 1328 C ALA A 81 3.943 -5.429 -9.698 1.00 0.00 C ATOM 1329 O ALA A 81 3.427 -4.444 -10.231 1.00 0.00 O ATOM 1330 CB ALA A 81 1.878 -6.680 -9.071 1.00 0.00 C ATOM 0 H ALA A 81 4.005 -7.801 -8.079 1.00 0.00 H new ATOM 0 HA ALA A 81 3.109 -7.062 -10.775 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.289 -5.907 -9.564 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.364 -7.638 -9.157 1.00 0.00 H new ATOM 0 HB3 ALA A 81 2.000 -6.427 -8.018 1.00 0.00 H new ATOM 1336 N VAL A 82 5.104 -5.366 -9.076 1.00 0.00 N ATOM 1337 CA VAL A 82 5.840 -4.112 -9.013 1.00 0.00 C ATOM 1338 C VAL A 82 7.295 -4.279 -9.325 1.00 0.00 C ATOM 1339 O VAL A 82 7.847 -5.376 -9.271 1.00 0.00 O ATOM 1340 CB VAL A 82 5.738 -3.386 -7.640 1.00 0.00 C ATOM 1341 CG1 VAL A 82 4.342 -2.878 -7.375 1.00 0.00 C ATOM 1342 CG2 VAL A 82 6.201 -4.292 -6.514 1.00 0.00 C ATOM 0 H VAL A 82 5.556 -6.154 -8.612 1.00 0.00 H new ATOM 0 HA VAL A 82 5.356 -3.500 -9.774 1.00 0.00 H new ATOM 0 HB VAL A 82 6.399 -2.520 -7.682 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.314 -2.378 -6.407 1.00 0.00 H new ATOM 0 HG12 VAL A 82 4.057 -2.173 -8.156 1.00 0.00 H new ATOM 0 HG13 VAL A 82 3.645 -3.716 -7.371 1.00 0.00 H new ATOM 0 HG21 VAL A 82 6.121 -3.763 -5.565 1.00 0.00 H new ATOM 0 HG22 VAL A 82 5.577 -5.185 -6.486 1.00 0.00 H new ATOM 0 HG23 VAL A 82 7.239 -4.580 -6.682 1.00 0.00 H new ATOM 1352 N GLU A 83 7.881 -3.183 -9.679 1.00 0.00 N ATOM 1353 CA GLU A 83 9.289 -3.053 -9.855 1.00 0.00 C ATOM 1354 C GLU A 83 9.720 -1.895 -8.992 1.00 0.00 C ATOM 1355 O GLU A 83 9.435 -0.736 -9.327 1.00 0.00 O ATOM 1356 CB GLU A 83 9.634 -2.757 -11.311 1.00 0.00 C ATOM 1357 CG GLU A 83 9.251 -3.850 -12.280 1.00 0.00 C ATOM 1358 CD GLU A 83 9.694 -3.548 -13.695 1.00 0.00 C ATOM 1359 OE1 GLU A 83 10.859 -3.839 -14.045 1.00 0.00 O ATOM 1360 OE2 GLU A 83 8.894 -3.016 -14.487 1.00 0.00 O ATOM 0 H GLU A 83 7.371 -2.319 -9.861 1.00 0.00 H new ATOM 0 HA GLU A 83 9.795 -3.979 -9.580 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.136 -1.834 -11.609 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.707 -2.580 -11.388 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.696 -4.791 -11.956 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.170 -3.985 -12.262 1.00 0.00 H new ATOM 1367 N ILE A 84 10.310 -2.181 -7.861 1.00 0.00 N ATOM 1368 CA ILE A 84 10.748 -1.123 -6.965 1.00 0.00 C ATOM 1369 C ILE A 84 11.913 -0.378 -7.593 1.00 0.00 C ATOM 1370 O ILE A 84 12.635 -0.949 -8.399 1.00 0.00 O ATOM 1371 CB ILE A 84 11.092 -1.653 -5.519 1.00 0.00 C ATOM 1372 CG1 ILE A 84 12.309 -2.584 -5.495 1.00 0.00 C ATOM 1373 CG2 ILE A 84 9.894 -2.358 -4.903 1.00 0.00 C ATOM 1374 CD1 ILE A 84 13.631 -1.884 -5.282 1.00 0.00 C ATOM 0 H ILE A 84 10.501 -3.128 -7.533 1.00 0.00 H new ATOM 0 HA ILE A 84 9.919 -0.429 -6.828 1.00 0.00 H new ATOM 0 HB ILE A 84 11.345 -0.774 -4.927 1.00 0.00 H new ATOM 0 HG12 ILE A 84 12.171 -3.321 -4.704 1.00 0.00 H new ATOM 0 HG13 ILE A 84 12.350 -3.132 -6.437 1.00 0.00 H new ATOM 0 HG21 ILE A 84 10.155 -2.715 -3.907 1.00 0.00 H new ATOM 0 HG22 ILE A 84 9.059 -1.661 -4.832 1.00 0.00 H new ATOM 0 HG23 ILE A 84 9.609 -3.204 -5.528 1.00 0.00 H new ATOM 0 HD11 ILE A 84 14.436 -2.619 -5.279 1.00 0.00 H new ATOM 0 HD12 ILE A 84 13.797 -1.167 -6.086 1.00 0.00 H new ATOM 0 HD13 ILE A 84 13.615 -1.360 -4.327 1.00 0.00 H new ATOM 1386 N ASP A 85 12.049 0.899 -7.305 1.00 0.00 N ATOM 1387 CA ASP A 85 13.187 1.659 -7.821 1.00 0.00 C ATOM 1388 C ASP A 85 14.469 1.150 -7.265 1.00 0.00 C ATOM 1389 O ASP A 85 14.794 1.379 -6.094 1.00 0.00 O ATOM 1390 CB ASP A 85 13.108 3.174 -7.604 1.00 0.00 C ATOM 1391 CG ASP A 85 12.323 3.919 -8.663 1.00 0.00 C ATOM 1392 OD1 ASP A 85 12.584 3.708 -9.873 1.00 0.00 O ATOM 1393 OD2 ASP A 85 11.458 4.751 -8.325 1.00 0.00 O ATOM 0 H ASP A 85 11.401 1.434 -6.726 1.00 0.00 H new ATOM 0 HA ASP A 85 13.147 1.502 -8.899 1.00 0.00 H new ATOM 0 HB2 ASP A 85 12.655 3.366 -6.631 1.00 0.00 H new ATOM 0 HB3 ASP A 85 14.120 3.577 -7.569 1.00 0.00 H new