USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 487 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 21 GLN : amide:sc= -0.0732 K(o=-0.073,f=-1.9!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.233 X(o=-0.23,f=-0.041) USER MOD Single : A 34 ASN : amide:sc= -0.501 X(o=-0.5,f=-0.89) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= -0.14 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 77:sc= -0.612 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -5.42! C(o=-5.4!,f=-5.6!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0.678 K(o=0.68,f=-0.17) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 155:sc= -0.322 (180deg=-1.41!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.176) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -164:sc= -2.68 (180deg=-3.24!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 242 N GLN A 21 7.622 8.220 2.248 1.00 0.00 N ATOM 243 CA GLN A 21 6.777 7.053 2.473 1.00 0.00 C ATOM 244 C GLN A 21 6.505 6.318 1.165 1.00 0.00 C ATOM 245 O GLN A 21 6.646 5.098 1.087 1.00 0.00 O ATOM 246 CB GLN A 21 5.456 7.471 3.121 1.00 0.00 C ATOM 247 CG GLN A 21 5.599 7.901 4.572 1.00 0.00 C ATOM 248 CD GLN A 21 4.460 8.789 5.032 1.00 0.00 C ATOM 249 OE1 GLN A 21 3.589 9.160 4.245 1.00 0.00 O ATOM 250 NE2 GLN A 21 4.459 9.135 6.314 1.00 0.00 N ATOM 0 HA GLN A 21 7.305 6.377 3.145 1.00 0.00 H new ATOM 0 HB2 GLN A 21 5.024 8.292 2.549 1.00 0.00 H new ATOM 0 HB3 GLN A 21 4.754 6.639 3.065 1.00 0.00 H new ATOM 0 HG2 GLN A 21 5.644 7.016 5.207 1.00 0.00 H new ATOM 0 HG3 GLN A 21 6.543 8.432 4.698 1.00 0.00 H new ATOM 0 HE21 GLN A 21 5.200 8.805 6.932 1.00 0.00 H new ATOM 0 HE22 GLN A 21 3.717 9.731 6.681 1.00 0.00 H new ATOM 259 N GLU A 22 6.115 7.069 0.139 1.00 0.00 N ATOM 260 CA GLU A 22 5.823 6.486 -1.165 1.00 0.00 C ATOM 261 C GLU A 22 7.083 5.898 -1.793 1.00 0.00 C ATOM 262 O GLU A 22 7.010 5.050 -2.683 1.00 0.00 O ATOM 263 CB GLU A 22 5.220 7.541 -2.096 1.00 0.00 C ATOM 264 CG GLU A 22 4.398 6.954 -3.231 1.00 0.00 C ATOM 265 CD GLU A 22 2.973 6.642 -2.818 1.00 0.00 C ATOM 266 OE1 GLU A 22 2.445 7.348 -1.932 1.00 0.00 O ATOM 267 OE2 GLU A 22 2.386 5.694 -3.379 1.00 0.00 O ATOM 0 H GLU A 22 5.994 8.081 0.186 1.00 0.00 H new ATOM 0 HA GLU A 22 5.101 5.682 -1.022 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.590 8.211 -1.511 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.024 8.145 -2.516 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.385 7.655 -4.066 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.877 6.042 -3.588 1.00 0.00 H new ATOM 274 N LYS A 23 8.239 6.355 -1.325 1.00 0.00 N ATOM 275 CA LYS A 23 9.517 5.875 -1.838 1.00 0.00 C ATOM 276 C LYS A 23 9.924 4.574 -1.154 1.00 0.00 C ATOM 277 O LYS A 23 10.515 3.692 -1.778 1.00 0.00 O ATOM 278 CB LYS A 23 10.603 6.934 -1.632 1.00 0.00 C ATOM 279 CG LYS A 23 11.247 6.884 -0.257 1.00 0.00 C ATOM 280 CD LYS A 23 12.471 7.781 -0.183 1.00 0.00 C ATOM 281 CE LYS A 23 13.497 7.243 0.803 1.00 0.00 C ATOM 282 NZ LYS A 23 14.880 7.672 0.454 1.00 0.00 N ATOM 0 H LYS A 23 8.318 7.058 -0.590 1.00 0.00 H new ATOM 0 HA LYS A 23 9.403 5.683 -2.905 1.00 0.00 H new ATOM 0 HB2 LYS A 23 11.375 6.804 -2.391 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.169 7.922 -1.785 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.522 7.192 0.497 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.532 5.858 -0.024 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.923 7.864 -1.171 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.170 8.785 0.115 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.252 7.589 1.807 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.448 6.154 0.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 15.549 7.285 1.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 15.124 7.320 -0.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.934 8.711 0.462 1.00 0.00 H new ATOM 296 N LEU A 24 9.603 4.461 0.130 1.00 0.00 N ATOM 297 CA LEU A 24 9.934 3.266 0.898 1.00 0.00 C ATOM 298 C LEU A 24 9.080 2.081 0.458 1.00 0.00 C ATOM 299 O LEU A 24 9.548 0.943 0.424 1.00 0.00 O ATOM 300 CB LEU A 24 9.735 3.525 2.393 1.00 0.00 C ATOM 301 CG LEU A 24 9.969 2.331 3.318 1.00 0.00 C ATOM 302 CD1 LEU A 24 11.370 1.773 3.126 1.00 0.00 C ATOM 303 CD2 LEU A 24 9.746 2.729 4.770 1.00 0.00 C ATOM 0 H LEU A 24 9.114 5.182 0.661 1.00 0.00 H new ATOM 0 HA LEU A 24 10.981 3.024 0.713 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.406 4.329 2.694 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.717 3.884 2.547 1.00 0.00 H new ATOM 0 HG LEU A 24 9.252 1.552 3.061 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.518 0.924 3.793 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.494 1.449 2.093 1.00 0.00 H new ATOM 0 HD13 LEU A 24 12.104 2.546 3.354 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.917 1.866 5.414 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.439 3.526 5.039 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.722 3.080 4.898 1.00 0.00 H new ATOM 315 N VAL A 25 7.824 2.357 0.120 1.00 0.00 N ATOM 316 CA VAL A 25 6.905 1.315 -0.322 1.00 0.00 C ATOM 317 C VAL A 25 7.221 0.871 -1.746 1.00 0.00 C ATOM 318 O VAL A 25 7.266 -0.324 -2.040 1.00 0.00 O ATOM 319 CB VAL A 25 5.442 1.792 -0.257 1.00 0.00 C ATOM 320 CG1 VAL A 25 4.492 0.647 -0.572 1.00 0.00 C ATOM 321 CG2 VAL A 25 5.137 2.389 1.108 1.00 0.00 C ATOM 0 H VAL A 25 7.420 3.293 0.144 1.00 0.00 H new ATOM 0 HA VAL A 25 7.034 0.471 0.356 1.00 0.00 H new ATOM 0 HB VAL A 25 5.298 2.568 -1.008 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.463 1.003 -0.521 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.696 0.270 -1.574 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.635 -0.154 0.153 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.099 2.721 1.136 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.298 1.635 1.879 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.795 3.239 1.288 1.00 0.00 H new ATOM 331 N TYR A 26 7.439 1.841 -2.627 1.00 0.00 N ATOM 332 CA TYR A 26 7.749 1.550 -4.022 1.00 0.00 C ATOM 333 C TYR A 26 8.997 0.679 -4.133 1.00 0.00 C ATOM 334 O TYR A 26 9.148 -0.089 -5.083 1.00 0.00 O ATOM 335 CB TYR A 26 7.950 2.850 -4.803 1.00 0.00 C ATOM 336 CG TYR A 26 8.426 2.637 -6.222 1.00 0.00 C ATOM 337 CD1 TYR A 26 7.605 2.035 -7.168 1.00 0.00 C ATOM 338 CD2 TYR A 26 9.696 3.038 -6.618 1.00 0.00 C ATOM 339 CE1 TYR A 26 8.035 1.837 -8.465 1.00 0.00 C ATOM 340 CE2 TYR A 26 10.134 2.846 -7.914 1.00 0.00 C ATOM 341 CZ TYR A 26 9.301 2.245 -8.833 1.00 0.00 C ATOM 342 OH TYR A 26 9.733 2.051 -10.125 1.00 0.00 O ATOM 0 H TYR A 26 7.407 2.835 -2.400 1.00 0.00 H new ATOM 0 HA TYR A 26 6.908 1.004 -4.448 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.010 3.401 -4.823 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.673 3.473 -4.276 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.613 1.716 -6.884 1.00 0.00 H new ATOM 0 HD2 TYR A 26 10.352 3.508 -5.900 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.385 1.366 -9.187 1.00 0.00 H new ATOM 0 HE2 TYR A 26 11.124 3.165 -8.206 1.00 0.00 H new ATOM 0 HH TYR A 26 10.646 2.395 -10.220 1.00 0.00 H new ATOM 352 N GLN A 27 9.888 0.806 -3.155 1.00 0.00 N ATOM 353 CA GLN A 27 11.123 0.031 -3.142 1.00 0.00 C ATOM 354 C GLN A 27 10.869 -1.390 -2.647 1.00 0.00 C ATOM 355 O GLN A 27 11.377 -2.356 -3.216 1.00 0.00 O ATOM 356 CB GLN A 27 12.168 0.712 -2.257 1.00 0.00 C ATOM 357 CG GLN A 27 13.263 -0.226 -1.776 1.00 0.00 C ATOM 358 CD GLN A 27 14.266 -0.559 -2.862 1.00 0.00 C ATOM 359 OE1 GLN A 27 15.419 -0.129 -2.812 1.00 0.00 O ATOM 360 NE2 GLN A 27 13.832 -1.330 -3.853 1.00 0.00 N ATOM 0 H GLN A 27 9.778 1.438 -2.362 1.00 0.00 H new ATOM 0 HA GLN A 27 11.500 -0.021 -4.163 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.622 1.533 -2.812 1.00 0.00 H new ATOM 0 HB3 GLN A 27 11.670 1.149 -1.392 1.00 0.00 H new ATOM 0 HG2 GLN A 27 13.783 0.231 -0.934 1.00 0.00 H new ATOM 0 HG3 GLN A 27 12.811 -1.148 -1.409 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.868 -1.664 -3.855 1.00 0.00 H new ATOM 0 HE22 GLN A 27 14.462 -1.588 -4.612 1.00 0.00 H new ATOM 369 N ILE A 28 10.081 -1.508 -1.584 1.00 0.00 N ATOM 370 CA ILE A 28 9.759 -2.811 -1.013 1.00 0.00 C ATOM 371 C ILE A 28 8.966 -3.662 -1.999 1.00 0.00 C ATOM 372 O ILE A 28 9.069 -4.889 -1.998 1.00 0.00 O ATOM 373 CB ILE A 28 8.953 -2.670 0.292 1.00 0.00 C ATOM 374 CG1 ILE A 28 9.780 -1.938 1.351 1.00 0.00 C ATOM 375 CG2 ILE A 28 8.525 -4.039 0.799 1.00 0.00 C ATOM 376 CD1 ILE A 28 8.939 -1.215 2.380 1.00 0.00 C ATOM 0 H ILE A 28 9.654 -0.718 -1.101 1.00 0.00 H new ATOM 0 HA ILE A 28 10.707 -3.303 -0.793 1.00 0.00 H new ATOM 0 HB ILE A 28 8.058 -2.083 0.088 1.00 0.00 H new ATOM 0 HG12 ILE A 28 10.423 -2.657 1.859 1.00 0.00 H new ATOM 0 HG13 ILE A 28 10.433 -1.219 0.857 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.956 -3.924 1.722 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.903 -4.527 0.048 1.00 0.00 H new ATOM 0 HG23 ILE A 28 9.408 -4.648 0.991 1.00 0.00 H new ATOM 0 HD11 ILE A 28 9.591 -0.719 3.099 1.00 0.00 H new ATOM 0 HD12 ILE A 28 8.315 -0.472 1.883 1.00 0.00 H new ATOM 0 HD13 ILE A 28 8.305 -1.932 2.900 1.00 0.00 H new ATOM 388 N ILE A 29 8.176 -3.002 -2.839 1.00 0.00 N ATOM 389 CA ILE A 29 7.367 -3.698 -3.832 1.00 0.00 C ATOM 390 C ILE A 29 8.237 -4.270 -4.947 1.00 0.00 C ATOM 391 O ILE A 29 8.161 -5.458 -5.258 1.00 0.00 O ATOM 392 CB ILE A 29 6.308 -2.766 -4.450 1.00 0.00 C ATOM 393 CG1 ILE A 29 5.346 -2.265 -3.371 1.00 0.00 C ATOM 394 CG2 ILE A 29 5.547 -3.486 -5.553 1.00 0.00 C ATOM 395 CD1 ILE A 29 4.618 -0.996 -3.753 1.00 0.00 C ATOM 0 H ILE A 29 8.079 -1.987 -2.852 1.00 0.00 H new ATOM 0 HA ILE A 29 6.863 -4.513 -3.313 1.00 0.00 H new ATOM 0 HB ILE A 29 6.814 -1.905 -4.887 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.614 -3.044 -3.158 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.904 -2.091 -2.451 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.802 -2.814 -5.980 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.243 -3.798 -6.332 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.049 -4.363 -5.139 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.954 -0.699 -2.941 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.342 -0.203 -3.938 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.033 -1.170 -4.656 1.00 0.00 H new ATOM 407 N GLU A 30 9.063 -3.416 -5.542 1.00 0.00 N ATOM 408 CA GLU A 30 9.949 -3.838 -6.621 1.00 0.00 C ATOM 409 C GLU A 30 10.883 -4.950 -6.155 1.00 0.00 C ATOM 410 O GLU A 30 11.356 -5.756 -6.958 1.00 0.00 O ATOM 411 CB GLU A 30 10.766 -2.651 -7.133 1.00 0.00 C ATOM 412 CG GLU A 30 11.855 -2.202 -6.173 1.00 0.00 C ATOM 413 CD GLU A 30 12.848 -1.255 -6.818 1.00 0.00 C ATOM 414 OE1 GLU A 30 12.443 -0.133 -7.189 1.00 0.00 O ATOM 415 OE2 GLU A 30 14.030 -1.635 -6.950 1.00 0.00 O ATOM 0 H GLU A 30 9.137 -2.429 -5.296 1.00 0.00 H new ATOM 0 HA GLU A 30 9.332 -4.223 -7.433 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.222 -2.919 -8.086 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.094 -1.814 -7.324 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.397 -1.712 -5.314 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.385 -3.077 -5.796 1.00 0.00 H new ATOM 422 N ASP A 31 11.146 -4.988 -4.854 1.00 0.00 N ATOM 423 CA ASP A 31 12.024 -6.001 -4.279 1.00 0.00 C ATOM 424 C ASP A 31 11.382 -7.382 -4.355 1.00 0.00 C ATOM 425 O ASP A 31 12.069 -8.388 -4.527 1.00 0.00 O ATOM 426 CB ASP A 31 12.352 -5.657 -2.826 1.00 0.00 C ATOM 427 CG ASP A 31 13.716 -6.168 -2.404 1.00 0.00 C ATOM 428 OD1 ASP A 31 13.912 -7.401 -2.400 1.00 0.00 O ATOM 429 OD2 ASP A 31 14.587 -5.335 -2.078 1.00 0.00 O ATOM 0 H ASP A 31 10.764 -4.328 -4.176 1.00 0.00 H new ATOM 0 HA ASP A 31 12.948 -6.017 -4.858 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.316 -4.576 -2.695 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.590 -6.083 -2.174 1.00 0.00 H new ATOM 434 N ALA A 32 10.060 -7.423 -4.226 1.00 0.00 N ATOM 435 CA ALA A 32 9.325 -8.680 -4.281 1.00 0.00 C ATOM 436 C ALA A 32 9.567 -9.401 -5.603 1.00 0.00 C ATOM 437 O ALA A 32 9.551 -10.629 -5.664 1.00 0.00 O ATOM 438 CB ALA A 32 7.837 -8.432 -4.078 1.00 0.00 C ATOM 0 H ALA A 32 9.476 -6.599 -4.083 1.00 0.00 H new ATOM 0 HA ALA A 32 9.689 -9.319 -3.477 1.00 0.00 H new ATOM 0 HB1 ALA A 32 7.301 -9.380 -4.122 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.675 -7.968 -3.105 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.468 -7.770 -4.862 1.00 0.00 H new ATOM 444 N GLY A 33 9.792 -8.627 -6.661 1.00 0.00 N ATOM 445 CA GLY A 33 10.034 -9.209 -7.968 1.00 0.00 C ATOM 446 C GLY A 33 8.750 -9.569 -8.689 1.00 0.00 C ATOM 447 O GLY A 33 7.669 -9.124 -8.305 1.00 0.00 O ATOM 0 H GLY A 33 9.811 -7.607 -6.636 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.603 -8.506 -8.576 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.647 -10.103 -7.856 1.00 0.00 H new ATOM 451 N ASN A 34 8.868 -10.375 -9.739 1.00 0.00 N ATOM 452 CA ASN A 34 7.708 -10.792 -10.517 1.00 0.00 C ATOM 453 C ASN A 34 6.642 -11.409 -9.616 1.00 0.00 C ATOM 454 O ASN A 34 5.453 -11.117 -9.753 1.00 0.00 O ATOM 455 CB ASN A 34 8.124 -11.796 -11.594 1.00 0.00 C ATOM 456 CG ASN A 34 8.854 -12.994 -11.018 1.00 0.00 C ATOM 457 OD1 ASN A 34 10.061 -12.945 -10.783 1.00 0.00 O ATOM 458 ND2 ASN A 34 8.122 -14.077 -10.787 1.00 0.00 N ATOM 0 H ASN A 34 9.756 -10.752 -10.071 1.00 0.00 H new ATOM 0 HA ASN A 34 7.287 -9.908 -10.996 1.00 0.00 H new ATOM 0 HB2 ASN A 34 7.238 -12.137 -12.130 1.00 0.00 H new ATOM 0 HB3 ASN A 34 8.765 -11.299 -12.322 1.00 0.00 H new ATOM 0 HD21 ASN A 34 8.558 -14.914 -10.399 1.00 0.00 H new ATOM 0 HD22 ASN A 34 7.124 -14.072 -10.997 1.00 0.00 H new ATOM 465 N LYS A 35 7.075 -12.262 -8.695 1.00 0.00 N ATOM 466 CA LYS A 35 6.160 -12.920 -7.769 1.00 0.00 C ATOM 467 C LYS A 35 5.201 -11.911 -7.144 1.00 0.00 C ATOM 468 O LYS A 35 4.035 -12.217 -6.902 1.00 0.00 O ATOM 469 CB LYS A 35 6.944 -13.642 -6.672 1.00 0.00 C ATOM 470 CG LYS A 35 7.633 -14.909 -7.150 1.00 0.00 C ATOM 471 CD LYS A 35 8.379 -15.598 -6.020 1.00 0.00 C ATOM 472 CE LYS A 35 8.633 -17.065 -6.334 1.00 0.00 C ATOM 473 NZ LYS A 35 9.718 -17.633 -5.486 1.00 0.00 N ATOM 0 H LYS A 35 8.055 -12.515 -8.569 1.00 0.00 H new ATOM 0 HA LYS A 35 5.577 -13.650 -8.330 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.693 -12.963 -6.265 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.265 -13.893 -5.857 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.893 -15.591 -7.568 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.330 -14.665 -7.952 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.329 -15.092 -5.848 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.802 -15.516 -5.099 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.716 -17.634 -6.180 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.901 -17.171 -7.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.861 -18.634 -5.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.600 -17.107 -5.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.452 -17.556 -4.484 1.00 0.00 H new ATOM 487 N GLY A 36 5.702 -10.707 -6.886 1.00 0.00 N ATOM 488 CA GLY A 36 4.875 -9.672 -6.293 1.00 0.00 C ATOM 489 C GLY A 36 4.961 -9.658 -4.779 1.00 0.00 C ATOM 490 O GLY A 36 5.768 -10.378 -4.191 1.00 0.00 O ATOM 0 H GLY A 36 6.665 -10.430 -7.077 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.181 -8.700 -6.680 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.838 -9.823 -6.594 1.00 0.00 H new ATOM 494 N ILE A 37 4.128 -8.837 -4.149 1.00 0.00 N ATOM 495 CA ILE A 37 4.114 -8.733 -2.695 1.00 0.00 C ATOM 496 C ILE A 37 2.695 -8.539 -2.171 1.00 0.00 C ATOM 497 O ILE A 37 1.839 -7.982 -2.860 1.00 0.00 O ATOM 498 CB ILE A 37 4.994 -7.568 -2.205 1.00 0.00 C ATOM 499 CG1 ILE A 37 5.012 -7.522 -0.676 1.00 0.00 C ATOM 500 CG2 ILE A 37 4.492 -6.250 -2.775 1.00 0.00 C ATOM 501 CD1 ILE A 37 5.898 -6.431 -0.115 1.00 0.00 C ATOM 0 H ILE A 37 3.454 -8.235 -4.622 1.00 0.00 H new ATOM 0 HA ILE A 37 4.517 -9.669 -2.308 1.00 0.00 H new ATOM 0 HB ILE A 37 6.013 -7.728 -2.556 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.995 -7.376 -0.313 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.351 -8.486 -0.295 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.124 -5.436 -2.420 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.527 -6.288 -3.864 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.465 -6.081 -2.450 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.862 -6.457 0.974 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.924 -6.588 -0.448 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.547 -5.461 -0.466 1.00 0.00 H new ATOM 513 N TRP A 38 2.453 -8.999 -0.949 1.00 0.00 N ATOM 514 CA TRP A 38 1.137 -8.874 -0.332 1.00 0.00 C ATOM 515 C TRP A 38 0.976 -7.513 0.335 1.00 0.00 C ATOM 516 O TRP A 38 1.886 -7.030 1.009 1.00 0.00 O ATOM 517 CB TRP A 38 0.925 -9.987 0.694 1.00 0.00 C ATOM 518 CG TRP A 38 -0.511 -10.168 1.086 1.00 0.00 C ATOM 519 CD1 TRP A 38 -1.608 -9.948 0.304 1.00 0.00 C ATOM 520 CD2 TRP A 38 -1.003 -10.603 2.358 1.00 0.00 C ATOM 521 NE1 TRP A 38 -2.753 -10.221 1.012 1.00 0.00 N ATOM 522 CE2 TRP A 38 -2.409 -10.626 2.275 1.00 0.00 C ATOM 523 CE3 TRP A 38 -0.394 -10.979 3.558 1.00 0.00 C ATOM 524 CZ2 TRP A 38 -3.212 -11.007 3.346 1.00 0.00 C ATOM 525 CZ3 TRP A 38 -1.192 -11.357 4.621 1.00 0.00 C ATOM 526 CH2 TRP A 38 -2.589 -11.369 4.510 1.00 0.00 C ATOM 0 H TRP A 38 3.150 -9.462 -0.366 1.00 0.00 H new ATOM 0 HA TRP A 38 0.385 -8.964 -1.116 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.304 -10.924 0.286 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.513 -9.767 1.585 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -1.580 -9.609 -0.721 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.705 -10.136 0.655 1.00 0.00 H new ATOM 0 HE3 TRP A 38 0.682 -10.974 3.653 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -4.289 -11.017 3.262 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -0.731 -11.648 5.553 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.185 -11.670 5.359 1.00 0.00 H new ATOM 537 N SER A 39 -0.187 -6.898 0.144 1.00 0.00 N ATOM 538 CA SER A 39 -0.465 -5.590 0.725 1.00 0.00 C ATOM 539 C SER A 39 0.081 -5.500 2.147 1.00 0.00 C ATOM 540 O SER A 39 0.690 -4.500 2.528 1.00 0.00 O ATOM 541 CB SER A 39 -1.970 -5.318 0.727 1.00 0.00 C ATOM 542 OG SER A 39 -2.627 -6.094 1.714 1.00 0.00 O ATOM 0 H SER A 39 -0.952 -7.285 -0.409 1.00 0.00 H new ATOM 0 HA SER A 39 0.032 -4.836 0.115 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.151 -4.259 0.912 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.385 -5.545 -0.255 1.00 0.00 H new ATOM 0 HG SER A 39 -3.588 -5.901 1.696 1.00 0.00 H new ATOM 548 N ARG A 40 -0.141 -6.553 2.927 1.00 0.00 N ATOM 549 CA ARG A 40 0.326 -6.594 4.307 1.00 0.00 C ATOM 550 C ARG A 40 1.851 -6.566 4.366 1.00 0.00 C ATOM 551 O ARG A 40 2.441 -5.734 5.056 1.00 0.00 O ATOM 552 CB ARG A 40 -0.199 -7.847 5.009 1.00 0.00 C ATOM 553 CG ARG A 40 -1.682 -7.787 5.334 1.00 0.00 C ATOM 554 CD ARG A 40 -2.035 -8.697 6.500 1.00 0.00 C ATOM 555 NE ARG A 40 -3.186 -8.205 7.251 1.00 0.00 N ATOM 556 CZ ARG A 40 -3.508 -8.632 8.467 1.00 0.00 C ATOM 557 NH1 ARG A 40 -2.769 -9.555 9.066 1.00 0.00 N ATOM 558 NH2 ARG A 40 -4.572 -8.135 9.086 1.00 0.00 N ATOM 0 H ARG A 40 -0.642 -7.389 2.626 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.057 -5.712 4.820 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.009 -8.714 4.376 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.361 -7.997 5.932 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.962 -6.761 5.574 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.260 -8.078 4.457 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.248 -9.699 6.126 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.177 -8.781 7.167 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.776 -7.494 6.818 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.951 -9.939 8.593 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.018 -9.881 10.000 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.143 -7.425 8.628 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -4.819 -8.463 10.020 1.00 0.00 H new ATOM 572 N ASP A 41 2.482 -7.480 3.637 1.00 0.00 N ATOM 573 CA ASP A 41 3.938 -7.560 3.605 1.00 0.00 C ATOM 574 C ASP A 41 4.555 -6.176 3.431 1.00 0.00 C ATOM 575 O ASP A 41 5.719 -5.957 3.767 1.00 0.00 O ATOM 576 CB ASP A 41 4.395 -8.482 2.474 1.00 0.00 C ATOM 577 CG ASP A 41 4.518 -9.926 2.917 1.00 0.00 C ATOM 578 OD1 ASP A 41 3.471 -10.577 3.114 1.00 0.00 O ATOM 579 OD2 ASP A 41 5.661 -10.406 3.068 1.00 0.00 O ATOM 0 H ASP A 41 2.008 -8.176 3.061 1.00 0.00 H new ATOM 0 HA ASP A 41 4.275 -7.971 4.557 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.686 -8.418 1.648 1.00 0.00 H new ATOM 0 HB3 ASP A 41 5.358 -8.138 2.096 1.00 0.00 H new ATOM 584 N VAL A 42 3.767 -5.245 2.903 1.00 0.00 N ATOM 585 CA VAL A 42 4.236 -3.882 2.684 1.00 0.00 C ATOM 586 C VAL A 42 4.175 -3.066 3.970 1.00 0.00 C ATOM 587 O VAL A 42 5.058 -2.253 4.244 1.00 0.00 O ATOM 588 CB VAL A 42 3.406 -3.171 1.598 1.00 0.00 C ATOM 589 CG1 VAL A 42 3.871 -1.733 1.426 1.00 0.00 C ATOM 590 CG2 VAL A 42 3.491 -3.928 0.282 1.00 0.00 C ATOM 0 H VAL A 42 2.801 -5.410 2.619 1.00 0.00 H new ATOM 0 HA VAL A 42 5.272 -3.953 2.352 1.00 0.00 H new ATOM 0 HB VAL A 42 2.363 -3.155 1.915 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.273 -1.247 0.655 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.753 -1.197 2.368 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.920 -1.723 1.132 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.899 -3.412 -0.474 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.530 -3.978 -0.043 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.105 -4.938 0.418 1.00 0.00 H new ATOM 600 N ARG A 43 3.127 -3.289 4.757 1.00 0.00 N ATOM 601 CA ARG A 43 2.950 -2.575 6.015 1.00 0.00 C ATOM 602 C ARG A 43 4.184 -2.719 6.901 1.00 0.00 C ATOM 603 O ARG A 43 4.748 -1.728 7.365 1.00 0.00 O ATOM 604 CB ARG A 43 1.716 -3.096 6.753 1.00 0.00 C ATOM 605 CG ARG A 43 0.429 -2.385 6.365 1.00 0.00 C ATOM 606 CD ARG A 43 -0.684 -2.663 7.363 1.00 0.00 C ATOM 607 NE ARG A 43 -0.892 -4.095 7.565 1.00 0.00 N ATOM 608 CZ ARG A 43 -1.645 -4.597 8.538 1.00 0.00 C ATOM 609 NH1 ARG A 43 -2.257 -3.789 9.392 1.00 0.00 N ATOM 610 NH2 ARG A 43 -1.786 -5.911 8.657 1.00 0.00 N ATOM 0 H ARG A 43 2.388 -3.959 4.545 1.00 0.00 H new ATOM 0 HA ARG A 43 2.809 -1.519 5.787 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.607 -4.162 6.553 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.872 -2.987 7.826 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.608 -1.311 6.308 1.00 0.00 H new ATOM 0 HG3 ARG A 43 0.118 -2.709 5.372 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.442 -2.194 8.316 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.610 -2.208 7.010 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.435 -4.744 6.925 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.151 -2.778 9.304 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -2.834 -4.178 10.138 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.316 -6.536 8.002 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -2.364 -6.296 9.404 1.00 0.00 H new ATOM 624 N TYR A 44 4.598 -3.960 7.131 1.00 0.00 N ATOM 625 CA TYR A 44 5.764 -4.235 7.963 1.00 0.00 C ATOM 626 C TYR A 44 7.022 -3.621 7.359 1.00 0.00 C ATOM 627 O TYR A 44 7.616 -2.705 7.928 1.00 0.00 O ATOM 628 CB TYR A 44 5.950 -5.744 8.133 1.00 0.00 C ATOM 629 CG TYR A 44 4.649 -6.508 8.232 1.00 0.00 C ATOM 630 CD1 TYR A 44 3.996 -6.957 7.091 1.00 0.00 C ATOM 631 CD2 TYR A 44 4.073 -6.781 9.467 1.00 0.00 C ATOM 632 CE1 TYR A 44 2.807 -7.655 7.177 1.00 0.00 C ATOM 633 CE2 TYR A 44 2.885 -7.479 9.562 1.00 0.00 C ATOM 634 CZ TYR A 44 2.256 -7.914 8.414 1.00 0.00 C ATOM 635 OH TYR A 44 1.072 -8.609 8.504 1.00 0.00 O ATOM 0 H TYR A 44 4.144 -4.792 6.753 1.00 0.00 H new ATOM 0 HA TYR A 44 5.596 -3.783 8.941 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.524 -6.128 7.289 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.540 -5.930 9.031 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.425 -6.757 6.120 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.563 -6.442 10.368 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.312 -7.996 6.280 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.451 -7.683 10.530 1.00 0.00 H new ATOM 0 HH TYR A 44 0.821 -8.708 9.446 1.00 0.00 H new ATOM 645 N LYS A 45 7.424 -4.132 6.200 1.00 0.00 N ATOM 646 CA LYS A 45 8.611 -3.634 5.514 1.00 0.00 C ATOM 647 C LYS A 45 8.629 -2.109 5.496 1.00 0.00 C ATOM 648 O LYS A 45 9.624 -1.486 5.867 1.00 0.00 O ATOM 649 CB LYS A 45 8.661 -4.172 4.082 1.00 0.00 C ATOM 650 CG LYS A 45 8.863 -5.676 4.004 1.00 0.00 C ATOM 651 CD LYS A 45 9.777 -6.173 5.112 1.00 0.00 C ATOM 652 CE LYS A 45 10.258 -7.591 4.842 1.00 0.00 C ATOM 653 NZ LYS A 45 9.281 -8.609 5.319 1.00 0.00 N ATOM 0 H LYS A 45 6.945 -4.891 5.716 1.00 0.00 H new ATOM 0 HA LYS A 45 9.488 -3.984 6.058 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.733 -3.911 3.572 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.470 -3.677 3.545 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.898 -6.178 4.074 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.288 -5.937 3.035 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.635 -5.507 5.203 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.247 -6.142 6.064 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.424 -7.721 3.773 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.217 -7.749 5.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.646 -9.562 5.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.141 -8.502 6.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.373 -8.475 4.830 1.00 0.00 H new ATOM 667 N SER A 46 7.522 -1.513 5.063 1.00 0.00 N ATOM 668 CA SER A 46 7.412 -0.061 4.995 1.00 0.00 C ATOM 669 C SER A 46 7.224 0.536 6.386 1.00 0.00 C ATOM 670 O SER A 46 7.410 1.735 6.590 1.00 0.00 O ATOM 671 CB SER A 46 6.245 0.342 4.092 1.00 0.00 C ATOM 672 OG SER A 46 6.290 -0.354 2.858 1.00 0.00 O ATOM 0 H SER A 46 6.689 -2.014 4.754 1.00 0.00 H new ATOM 0 HA SER A 46 8.339 0.329 4.574 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.302 0.133 4.597 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.277 1.416 3.909 1.00 0.00 H new ATOM 0 HG SER A 46 5.977 -1.273 2.989 1.00 0.00 H new ATOM 678 N ASN A 47 6.852 -0.311 7.341 1.00 0.00 N ATOM 679 CA ASN A 47 6.637 0.132 8.714 1.00 0.00 C ATOM 680 C ASN A 47 5.597 1.247 8.769 1.00 0.00 C ATOM 681 O ASN A 47 5.606 2.074 9.682 1.00 0.00 O ATOM 682 CB ASN A 47 7.952 0.614 9.328 1.00 0.00 C ATOM 683 CG ASN A 47 8.735 -0.513 9.975 1.00 0.00 C ATOM 684 OD1 ASN A 47 9.526 -1.190 9.318 1.00 0.00 O ATOM 685 ND2 ASN A 47 8.518 -0.718 11.269 1.00 0.00 N ATOM 0 H ASN A 47 6.693 -1.307 7.189 1.00 0.00 H new ATOM 0 HA ASN A 47 6.265 -0.716 9.289 1.00 0.00 H new ATOM 0 HB2 ASN A 47 8.562 1.079 8.554 1.00 0.00 H new ATOM 0 HB3 ASN A 47 7.742 1.382 10.073 1.00 0.00 H new ATOM 0 HD21 ASN A 47 9.016 -1.461 11.758 1.00 0.00 H new ATOM 0 HD22 ASN A 47 7.853 -0.132 11.774 1.00 0.00 H new ATOM 692 N LEU A 48 4.703 1.264 7.787 1.00 0.00 N ATOM 693 CA LEU A 48 3.656 2.278 7.724 1.00 0.00 C ATOM 694 C LEU A 48 2.293 1.674 8.047 1.00 0.00 C ATOM 695 O LEU A 48 2.072 0.470 7.911 1.00 0.00 O ATOM 696 CB LEU A 48 3.625 2.921 6.336 1.00 0.00 C ATOM 697 CG LEU A 48 4.702 3.970 6.059 1.00 0.00 C ATOM 698 CD1 LEU A 48 4.820 4.232 4.565 1.00 0.00 C ATOM 699 CD2 LEU A 48 4.395 5.260 6.805 1.00 0.00 C ATOM 0 H LEU A 48 4.682 0.588 7.024 1.00 0.00 H new ATOM 0 HA LEU A 48 3.880 3.043 8.468 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.714 2.132 5.590 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.649 3.385 6.194 1.00 0.00 H new ATOM 0 HG LEU A 48 5.657 3.585 6.417 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.591 4.981 4.387 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.087 3.307 4.053 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.866 4.595 4.183 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.172 5.995 6.596 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.431 5.649 6.478 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.362 5.062 7.876 1.00 0.00 H new ATOM 711 N PRO A 49 1.355 2.528 8.483 1.00 0.00 N ATOM 712 CA PRO A 49 -0.003 2.101 8.832 1.00 0.00 C ATOM 713 C PRO A 49 -0.812 1.685 7.609 1.00 0.00 C ATOM 714 O PRO A 49 -0.545 2.132 6.493 1.00 0.00 O ATOM 715 CB PRO A 49 -0.612 3.349 9.477 1.00 0.00 C ATOM 716 CG PRO A 49 0.153 4.487 8.895 1.00 0.00 C ATOM 717 CD PRO A 49 1.549 3.976 8.669 1.00 0.00 C ATOM 0 HA PRO A 49 -0.001 1.226 9.482 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.676 3.431 9.253 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.516 3.321 10.562 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.296 4.821 7.960 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.155 5.342 9.571 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.009 4.436 7.794 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.198 4.189 9.519 1.00 0.00 H new ATOM 725 N LEU A 50 -1.803 0.827 7.825 1.00 0.00 N ATOM 726 CA LEU A 50 -2.653 0.350 6.739 1.00 0.00 C ATOM 727 C LEU A 50 -3.134 1.510 5.874 1.00 0.00 C ATOM 728 O LEU A 50 -3.077 1.450 4.646 1.00 0.00 O ATOM 729 CB LEU A 50 -3.853 -0.414 7.302 1.00 0.00 C ATOM 730 CG LEU A 50 -4.720 -1.149 6.279 1.00 0.00 C ATOM 731 CD1 LEU A 50 -5.339 -0.165 5.298 1.00 0.00 C ATOM 732 CD2 LEU A 50 -3.901 -2.197 5.540 1.00 0.00 C ATOM 0 H LEU A 50 -2.038 0.447 8.742 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.062 -0.322 6.117 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.488 -1.140 8.028 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.484 0.290 7.845 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.525 -1.655 6.811 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.952 -0.706 4.578 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.960 0.548 5.841 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.549 0.370 4.772 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.534 -2.710 4.816 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.075 -1.713 5.020 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.507 -2.920 6.254 1.00 0.00 H new ATOM 744 N THR A 51 -3.607 2.569 6.524 1.00 0.00 N ATOM 745 CA THR A 51 -4.098 3.745 5.816 1.00 0.00 C ATOM 746 C THR A 51 -3.050 4.279 4.846 1.00 0.00 C ATOM 747 O THR A 51 -3.383 4.917 3.848 1.00 0.00 O ATOM 748 CB THR A 51 -4.495 4.866 6.795 1.00 0.00 C ATOM 749 OG1 THR A 51 -5.104 5.947 6.080 1.00 0.00 O ATOM 750 CG2 THR A 51 -3.280 5.375 7.555 1.00 0.00 C ATOM 0 H THR A 51 -3.660 2.636 7.540 1.00 0.00 H new ATOM 0 HA THR A 51 -4.980 3.433 5.258 1.00 0.00 H new ATOM 0 HB THR A 51 -5.207 4.458 7.512 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.355 6.655 6.709 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.585 6.166 8.240 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.835 4.556 8.121 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.548 5.768 6.850 1.00 0.00 H new ATOM 758 N GLU A 52 -1.782 4.014 5.147 1.00 0.00 N ATOM 759 CA GLU A 52 -0.686 4.469 4.300 1.00 0.00 C ATOM 760 C GLU A 52 -0.416 3.473 3.177 1.00 0.00 C ATOM 761 O GLU A 52 -0.244 3.858 2.020 1.00 0.00 O ATOM 762 CB GLU A 52 0.581 4.671 5.134 1.00 0.00 C ATOM 763 CG GLU A 52 0.664 6.036 5.796 1.00 0.00 C ATOM 764 CD GLU A 52 0.790 7.165 4.792 1.00 0.00 C ATOM 765 OE1 GLU A 52 1.358 6.930 3.705 1.00 0.00 O ATOM 766 OE2 GLU A 52 0.321 8.283 5.093 1.00 0.00 O ATOM 0 H GLU A 52 -1.489 3.487 5.970 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.975 5.421 3.855 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.626 3.900 5.903 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.453 4.534 4.494 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.226 6.195 6.406 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.520 6.057 6.470 1.00 0.00 H new ATOM 773 N ILE A 53 -0.379 2.192 3.526 1.00 0.00 N ATOM 774 CA ILE A 53 -0.131 1.140 2.548 1.00 0.00 C ATOM 775 C ILE A 53 -1.245 1.081 1.509 1.00 0.00 C ATOM 776 O ILE A 53 -1.011 0.737 0.352 1.00 0.00 O ATOM 777 CB ILE A 53 0.000 -0.238 3.224 1.00 0.00 C ATOM 778 CG1 ILE A 53 1.393 -0.401 3.834 1.00 0.00 C ATOM 779 CG2 ILE A 53 -0.279 -1.348 2.221 1.00 0.00 C ATOM 780 CD1 ILE A 53 1.703 0.612 4.913 1.00 0.00 C ATOM 0 H ILE A 53 -0.518 1.857 4.479 1.00 0.00 H new ATOM 0 HA ILE A 53 0.810 1.384 2.054 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.736 -0.305 4.025 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.483 -1.404 4.252 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.139 -0.317 3.044 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.183 -2.316 2.713 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.290 -1.239 1.830 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.436 -1.285 1.401 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.707 0.436 5.300 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.646 1.617 4.495 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.980 0.514 5.723 1.00 0.00 H new ATOM 792 N ASN A 54 -2.459 1.420 1.932 1.00 0.00 N ATOM 793 CA ASN A 54 -3.611 1.407 1.037 1.00 0.00 C ATOM 794 C ASN A 54 -3.529 2.548 0.028 1.00 0.00 C ATOM 795 O ASN A 54 -3.654 2.335 -1.179 1.00 0.00 O ATOM 796 CB ASN A 54 -4.908 1.515 1.841 1.00 0.00 C ATOM 797 CG ASN A 54 -5.456 0.158 2.239 1.00 0.00 C ATOM 798 OD1 ASN A 54 -4.827 -0.872 1.999 1.00 0.00 O ATOM 799 ND2 ASN A 54 -6.635 0.153 2.850 1.00 0.00 N ATOM 0 H ASN A 54 -2.670 1.707 2.888 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.606 0.463 0.492 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -4.728 2.108 2.737 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.655 2.047 1.251 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -7.055 -0.730 3.141 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -7.121 1.032 3.028 1.00 0.00 H new ATOM 806 N LYS A 55 -3.317 3.760 0.529 1.00 0.00 N ATOM 807 CA LYS A 55 -3.216 4.936 -0.327 1.00 0.00 C ATOM 808 C LYS A 55 -1.973 4.863 -1.208 1.00 0.00 C ATOM 809 O LYS A 55 -2.009 5.235 -2.381 1.00 0.00 O ATOM 810 CB LYS A 55 -3.179 6.209 0.522 1.00 0.00 C ATOM 811 CG LYS A 55 -1.967 6.297 1.433 1.00 0.00 C ATOM 812 CD LYS A 55 -1.912 7.630 2.161 1.00 0.00 C ATOM 813 CE LYS A 55 -2.927 7.690 3.291 1.00 0.00 C ATOM 814 NZ LYS A 55 -3.036 9.060 3.866 1.00 0.00 N ATOM 0 H LYS A 55 -3.212 3.954 1.525 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.095 4.962 -0.971 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.191 7.076 -0.138 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.083 6.258 1.129 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.997 5.485 2.160 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.059 6.165 0.845 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.910 7.786 2.562 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.103 8.439 1.456 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.902 7.373 2.921 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.640 6.989 4.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.738 9.060 4.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.112 9.353 4.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.335 9.725 3.124 1.00 0.00 H new ATOM 828 N ILE A 56 -0.875 4.380 -0.634 1.00 0.00 N ATOM 829 CA ILE A 56 0.378 4.256 -1.368 1.00 0.00 C ATOM 830 C ILE A 56 0.278 3.185 -2.449 1.00 0.00 C ATOM 831 O ILE A 56 0.508 3.454 -3.629 1.00 0.00 O ATOM 832 CB ILE A 56 1.549 3.915 -0.429 1.00 0.00 C ATOM 833 CG1 ILE A 56 1.804 5.068 0.544 1.00 0.00 C ATOM 834 CG2 ILE A 56 2.803 3.608 -1.235 1.00 0.00 C ATOM 835 CD1 ILE A 56 2.502 4.641 1.817 1.00 0.00 C ATOM 0 H ILE A 56 -0.829 4.069 0.336 1.00 0.00 H new ATOM 0 HA ILE A 56 0.568 5.223 -1.835 1.00 0.00 H new ATOM 0 HB ILE A 56 1.286 3.029 0.148 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.407 5.827 0.045 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.853 5.534 0.800 1.00 0.00 H new ATOM 0 HG21 ILE A 56 3.622 3.369 -0.557 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.615 2.758 -1.891 1.00 0.00 H new ATOM 0 HG23 ILE A 56 3.071 4.477 -1.836 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.650 5.509 2.459 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.890 3.904 2.338 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.469 4.202 1.572 1.00 0.00 H new ATOM 847 N LEU A 57 -0.067 1.969 -2.039 1.00 0.00 N ATOM 848 CA LEU A 57 -0.200 0.856 -2.972 1.00 0.00 C ATOM 849 C LEU A 57 -1.027 1.260 -4.188 1.00 0.00 C ATOM 850 O LEU A 57 -0.757 0.827 -5.308 1.00 0.00 O ATOM 851 CB LEU A 57 -0.846 -0.343 -2.276 1.00 0.00 C ATOM 852 CG LEU A 57 0.069 -1.169 -1.372 1.00 0.00 C ATOM 853 CD1 LEU A 57 -0.724 -2.249 -0.653 1.00 0.00 C ATOM 854 CD2 LEU A 57 1.203 -1.784 -2.179 1.00 0.00 C ATOM 0 H LEU A 57 -0.260 1.729 -1.067 1.00 0.00 H new ATOM 0 HA LEU A 57 0.797 0.577 -3.312 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.684 0.017 -1.679 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.259 -1.002 -3.040 1.00 0.00 H new ATOM 0 HG LEU A 57 0.502 -0.506 -0.623 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.056 -2.827 -0.014 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.499 -1.786 -0.042 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.186 -2.910 -1.386 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.844 -2.368 -1.519 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.790 -2.433 -2.951 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.789 -0.992 -2.646 1.00 0.00 H new ATOM 866 N LYS A 58 -2.036 2.094 -3.960 1.00 0.00 N ATOM 867 CA LYS A 58 -2.901 2.561 -5.036 1.00 0.00 C ATOM 868 C LYS A 58 -2.202 3.627 -5.874 1.00 0.00 C ATOM 869 O LYS A 58 -1.962 3.435 -7.065 1.00 0.00 O ATOM 870 CB LYS A 58 -4.205 3.121 -4.464 1.00 0.00 C ATOM 871 CG LYS A 58 -5.375 3.050 -5.430 1.00 0.00 C ATOM 872 CD LYS A 58 -6.500 3.983 -5.014 1.00 0.00 C ATOM 873 CE LYS A 58 -6.175 5.431 -5.348 1.00 0.00 C ATOM 874 NZ LYS A 58 -6.536 5.771 -6.753 1.00 0.00 N ATOM 0 H LYS A 58 -2.275 2.460 -3.039 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.129 1.711 -5.679 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.460 2.571 -3.558 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.048 4.160 -4.173 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.036 3.311 -6.433 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.748 2.027 -5.476 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.422 3.690 -5.517 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.677 3.886 -3.943 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.711 6.090 -4.666 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.111 5.609 -5.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.299 6.766 -6.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.005 5.159 -7.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.556 5.625 -6.894 1.00 0.00 H new ATOM 888 N ASN A 59 -1.876 4.750 -5.242 1.00 0.00 N ATOM 889 CA ASN A 59 -1.203 5.846 -5.929 1.00 0.00 C ATOM 890 C ASN A 59 -0.230 5.315 -6.977 1.00 0.00 C ATOM 891 O ASN A 59 -0.307 5.676 -8.152 1.00 0.00 O ATOM 892 CB ASN A 59 -0.458 6.725 -4.923 1.00 0.00 C ATOM 893 CG ASN A 59 -1.318 7.858 -4.395 1.00 0.00 C ATOM 894 OD1 ASN A 59 -1.650 8.792 -5.125 1.00 0.00 O ATOM 895 ND2 ASN A 59 -1.683 7.779 -3.121 1.00 0.00 N ATOM 0 H ASN A 59 -2.067 4.925 -4.255 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.961 6.446 -6.434 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.120 6.111 -4.089 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.433 7.139 -5.396 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.262 8.511 -2.710 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.384 6.986 -2.553 1.00 0.00 H new ATOM 902 N LEU A 60 0.686 4.456 -6.543 1.00 0.00 N ATOM 903 CA LEU A 60 1.676 3.874 -7.444 1.00 0.00 C ATOM 904 C LEU A 60 1.000 3.212 -8.640 1.00 0.00 C ATOM 905 O LEU A 60 1.377 3.450 -9.787 1.00 0.00 O ATOM 906 CB LEU A 60 2.534 2.851 -6.697 1.00 0.00 C ATOM 907 CG LEU A 60 3.314 3.380 -5.493 1.00 0.00 C ATOM 908 CD1 LEU A 60 4.012 2.241 -4.767 1.00 0.00 C ATOM 909 CD2 LEU A 60 4.322 4.432 -5.932 1.00 0.00 C ATOM 0 H LEU A 60 0.764 4.147 -5.574 1.00 0.00 H new ATOM 0 HA LEU A 60 2.316 4.677 -7.810 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.887 2.042 -6.358 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.243 2.418 -7.402 1.00 0.00 H new ATOM 0 HG LEU A 60 2.610 3.845 -4.803 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.562 2.637 -3.913 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.270 1.522 -4.419 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.705 1.746 -5.447 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.868 4.798 -5.063 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.022 3.991 -6.642 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.798 5.262 -6.407 1.00 0.00 H new ATOM 921 N GLU A 61 -0.001 2.382 -8.364 1.00 0.00 N ATOM 922 CA GLU A 61 -0.730 1.687 -9.418 1.00 0.00 C ATOM 923 C GLU A 61 -1.228 2.669 -10.474 1.00 0.00 C ATOM 924 O GLU A 61 -1.407 2.309 -11.637 1.00 0.00 O ATOM 925 CB GLU A 61 -1.910 0.913 -8.828 1.00 0.00 C ATOM 926 CG GLU A 61 -1.504 -0.363 -8.111 1.00 0.00 C ATOM 927 CD GLU A 61 -2.692 -1.121 -7.550 1.00 0.00 C ATOM 928 OE1 GLU A 61 -3.340 -0.600 -6.617 1.00 0.00 O ATOM 929 OE2 GLU A 61 -2.974 -2.233 -8.042 1.00 0.00 O ATOM 0 H GLU A 61 -0.325 2.175 -7.419 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.046 0.984 -9.894 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.444 1.558 -8.130 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.607 0.664 -9.628 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.961 -1.007 -8.803 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.819 -0.117 -7.300 1.00 0.00 H new ATOM 936 N SER A 62 -1.451 3.912 -10.059 1.00 0.00 N ATOM 937 CA SER A 62 -1.932 4.947 -10.966 1.00 0.00 C ATOM 938 C SER A 62 -0.767 5.690 -11.611 1.00 0.00 C ATOM 939 O SER A 62 -0.877 6.193 -12.729 1.00 0.00 O ATOM 940 CB SER A 62 -2.830 5.934 -10.218 1.00 0.00 C ATOM 941 OG SER A 62 -3.767 6.537 -11.094 1.00 0.00 O ATOM 0 H SER A 62 -1.306 4.227 -9.100 1.00 0.00 H new ATOM 0 HA SER A 62 -2.512 4.464 -11.753 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.358 5.416 -9.417 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.218 6.704 -9.749 1.00 0.00 H new ATOM 0 HG SER A 62 -4.330 7.162 -10.591 1.00 0.00 H new ATOM 947 N LYS A 63 0.352 5.755 -10.897 1.00 0.00 N ATOM 948 CA LYS A 63 1.541 6.436 -11.397 1.00 0.00 C ATOM 949 C LYS A 63 2.382 5.499 -12.259 1.00 0.00 C ATOM 950 O LYS A 63 3.580 5.715 -12.442 1.00 0.00 O ATOM 951 CB LYS A 63 2.380 6.964 -10.231 1.00 0.00 C ATOM 952 CG LYS A 63 1.578 7.761 -9.217 1.00 0.00 C ATOM 953 CD LYS A 63 2.159 7.629 -7.819 1.00 0.00 C ATOM 954 CE LYS A 63 3.217 8.688 -7.552 1.00 0.00 C ATOM 955 NZ LYS A 63 2.717 10.059 -7.847 1.00 0.00 N ATOM 0 H LYS A 63 0.460 5.344 -9.970 1.00 0.00 H new ATOM 0 HA LYS A 63 1.217 7.275 -12.012 1.00 0.00 H new ATOM 0 HB2 LYS A 63 2.855 6.123 -9.726 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.179 7.592 -10.624 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.563 8.811 -9.508 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.544 7.415 -9.217 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.360 7.717 -7.082 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.596 6.638 -7.698 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.531 8.633 -6.510 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.097 8.484 -8.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.253 10.752 -7.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.840 10.263 -8.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.708 10.121 -7.602 1.00 0.00 H new ATOM 969 N LYS A 64 1.746 4.459 -12.787 1.00 0.00 N ATOM 970 CA LYS A 64 2.434 3.490 -13.632 1.00 0.00 C ATOM 971 C LYS A 64 3.713 2.995 -12.963 1.00 0.00 C ATOM 972 O LYS A 64 4.753 2.864 -13.609 1.00 0.00 O ATOM 973 CB LYS A 64 2.765 4.112 -14.991 1.00 0.00 C ATOM 974 CG LYS A 64 1.596 4.112 -15.961 1.00 0.00 C ATOM 975 CD LYS A 64 1.718 5.230 -16.982 1.00 0.00 C ATOM 976 CE LYS A 64 2.521 4.790 -18.197 1.00 0.00 C ATOM 977 NZ LYS A 64 2.506 5.818 -19.274 1.00 0.00 N ATOM 0 H LYS A 64 0.755 4.265 -12.645 1.00 0.00 H new ATOM 0 HA LYS A 64 1.770 2.639 -13.780 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.101 5.138 -14.840 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.597 3.567 -15.438 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.549 3.152 -16.475 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.663 4.223 -15.408 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.724 5.547 -17.297 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.197 6.094 -16.521 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.550 4.591 -17.899 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.114 3.855 -18.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.064 5.480 -20.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.526 5.990 -19.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.918 6.703 -18.915 1.00 0.00 H new ATOM 991 N LEU A 65 3.628 2.720 -11.666 1.00 0.00 N ATOM 992 CA LEU A 65 4.778 2.238 -10.910 1.00 0.00 C ATOM 993 C LEU A 65 4.571 0.793 -10.467 1.00 0.00 C ATOM 994 O LEU A 65 5.532 0.042 -10.296 1.00 0.00 O ATOM 995 CB LEU A 65 5.020 3.127 -9.689 1.00 0.00 C ATOM 996 CG LEU A 65 5.370 4.587 -9.981 1.00 0.00 C ATOM 997 CD1 LEU A 65 5.662 5.335 -8.690 1.00 0.00 C ATOM 998 CD2 LEU A 65 6.558 4.671 -10.928 1.00 0.00 C ATOM 0 H LEU A 65 2.775 2.823 -11.116 1.00 0.00 H new ATOM 0 HA LEU A 65 5.652 2.278 -11.560 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.126 3.106 -9.066 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.828 2.691 -9.101 1.00 0.00 H new ATOM 0 HG LEU A 65 4.512 5.057 -10.463 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.909 6.372 -8.918 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.784 5.305 -8.045 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.503 4.866 -8.180 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.793 5.717 -11.125 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.421 4.184 -10.473 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.312 4.172 -11.865 1.00 0.00 H new ATOM 1010 N ILE A 66 3.312 0.410 -10.286 1.00 0.00 N ATOM 1011 CA ILE A 66 2.979 -0.946 -9.866 1.00 0.00 C ATOM 1012 C ILE A 66 1.604 -1.359 -10.379 1.00 0.00 C ATOM 1013 O ILE A 66 0.962 -0.622 -11.129 1.00 0.00 O ATOM 1014 CB ILE A 66 3.005 -1.084 -8.332 1.00 0.00 C ATOM 1015 CG1 ILE A 66 1.799 -0.374 -7.715 1.00 0.00 C ATOM 1016 CG2 ILE A 66 4.303 -0.520 -7.772 1.00 0.00 C ATOM 1017 CD1 ILE A 66 1.592 -0.696 -6.251 1.00 0.00 C ATOM 0 H ILE A 66 2.506 1.019 -10.423 1.00 0.00 H new ATOM 0 HA ILE A 66 3.736 -1.603 -10.294 1.00 0.00 H new ATOM 0 HB ILE A 66 2.951 -2.142 -8.075 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.925 0.703 -7.828 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.902 -0.650 -8.270 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.307 -0.624 -6.687 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.148 -1.066 -8.192 1.00 0.00 H new ATOM 0 HG23 ILE A 66 4.385 0.535 -8.035 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.720 -0.158 -5.880 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.434 -1.768 -6.133 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.473 -0.394 -5.684 1.00 0.00 H new ATOM 1029 N LYS A 67 1.155 -2.540 -9.969 1.00 0.00 N ATOM 1030 CA LYS A 67 -0.146 -3.051 -10.383 1.00 0.00 C ATOM 1031 C LYS A 67 -0.648 -4.114 -9.411 1.00 0.00 C ATOM 1032 O LYS A 67 0.136 -4.724 -8.685 1.00 0.00 O ATOM 1033 CB LYS A 67 -0.062 -3.635 -11.795 1.00 0.00 C ATOM 1034 CG LYS A 67 1.216 -4.415 -12.056 1.00 0.00 C ATOM 1035 CD LYS A 67 1.429 -4.656 -13.541 1.00 0.00 C ATOM 1036 CE LYS A 67 0.800 -5.966 -13.988 1.00 0.00 C ATOM 1037 NZ LYS A 67 -0.619 -5.787 -14.405 1.00 0.00 N ATOM 0 H LYS A 67 1.674 -3.162 -9.349 1.00 0.00 H new ATOM 0 HA LYS A 67 -0.852 -2.220 -10.381 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -0.918 -4.290 -11.960 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.137 -2.824 -12.520 1.00 0.00 H new ATOM 0 HG2 LYS A 67 2.067 -3.868 -11.650 1.00 0.00 H new ATOM 0 HG3 LYS A 67 1.173 -5.371 -11.534 1.00 0.00 H new ATOM 0 HD2 LYS A 67 0.999 -3.832 -14.110 1.00 0.00 H new ATOM 0 HD3 LYS A 67 2.497 -4.671 -13.759 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.373 -6.379 -14.818 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.851 -6.689 -13.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -0.918 -6.602 -14.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -1.223 -5.716 -13.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -0.708 -4.918 -14.969 1.00 0.00 H new ATOM 1051 N ALA A 68 -1.959 -4.331 -9.404 1.00 0.00 N ATOM 1052 CA ALA A 68 -2.564 -5.323 -8.524 1.00 0.00 C ATOM 1053 C ALA A 68 -2.775 -6.647 -9.251 1.00 0.00 C ATOM 1054 O ALA A 68 -3.455 -6.702 -10.276 1.00 0.00 O ATOM 1055 CB ALA A 68 -3.885 -4.805 -7.974 1.00 0.00 C ATOM 0 H ALA A 68 -2.622 -3.833 -9.998 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.881 -5.500 -7.693 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.326 -5.556 -7.318 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.710 -3.889 -7.410 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.567 -4.599 -8.799 1.00 0.00 H new ATOM 1061 N VAL A 69 -2.186 -7.711 -8.716 1.00 0.00 N ATOM 1062 CA VAL A 69 -2.310 -9.035 -9.314 1.00 0.00 C ATOM 1063 C VAL A 69 -2.837 -10.048 -8.303 1.00 0.00 C ATOM 1064 O VAL A 69 -2.426 -10.056 -7.143 1.00 0.00 O ATOM 1065 CB VAL A 69 -0.959 -9.531 -9.864 1.00 0.00 C ATOM 1066 CG1 VAL A 69 -1.109 -10.914 -10.481 1.00 0.00 C ATOM 1067 CG2 VAL A 69 -0.403 -8.543 -10.879 1.00 0.00 C ATOM 0 H VAL A 69 -1.618 -7.682 -7.869 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.019 -8.945 -10.137 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.253 -9.603 -9.036 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.145 -11.248 -10.864 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.461 -11.614 -9.723 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.829 -10.872 -11.298 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.552 -8.909 -11.258 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.105 -8.437 -11.706 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.257 -7.574 -10.401 1.00 0.00 H new ATOM 1223 N VAL A 79 -1.983 -8.951 -4.486 1.00 0.00 N ATOM 1224 CA VAL A 79 -0.539 -8.811 -4.634 1.00 0.00 C ATOM 1225 C VAL A 79 -0.187 -7.579 -5.459 1.00 0.00 C ATOM 1226 O VAL A 79 -0.997 -7.098 -6.252 1.00 0.00 O ATOM 1227 CB VAL A 79 0.080 -10.055 -5.299 1.00 0.00 C ATOM 1228 CG1 VAL A 79 1.598 -10.010 -5.208 1.00 0.00 C ATOM 1229 CG2 VAL A 79 -0.463 -11.325 -4.662 1.00 0.00 C ATOM 0 HA VAL A 79 -0.128 -8.701 -3.631 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.197 -10.058 -6.353 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.017 -10.897 -5.683 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.967 -9.118 -5.715 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.899 -9.983 -4.161 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -0.015 -12.194 -5.144 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.218 -11.333 -3.600 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.545 -11.360 -4.785 1.00 0.00 H new ATOM 1239 N TYR A 80 1.026 -7.072 -5.268 1.00 0.00 N ATOM 1240 CA TYR A 80 1.485 -5.894 -5.994 1.00 0.00 C ATOM 1241 C TYR A 80 2.901 -6.098 -6.524 1.00 0.00 C ATOM 1242 O TYR A 80 3.720 -6.769 -5.896 1.00 0.00 O ATOM 1243 CB TYR A 80 1.440 -4.662 -5.089 1.00 0.00 C ATOM 1244 CG TYR A 80 0.044 -4.290 -4.642 1.00 0.00 C ATOM 1245 CD1 TYR A 80 -0.737 -3.418 -5.389 1.00 0.00 C ATOM 1246 CD2 TYR A 80 -0.494 -4.812 -3.472 1.00 0.00 C ATOM 1247 CE1 TYR A 80 -2.013 -3.075 -4.984 1.00 0.00 C ATOM 1248 CE2 TYR A 80 -1.769 -4.476 -3.059 1.00 0.00 C ATOM 1249 CZ TYR A 80 -2.524 -3.607 -3.818 1.00 0.00 C ATOM 1250 OH TYR A 80 -3.795 -3.269 -3.412 1.00 0.00 O ATOM 0 H TYR A 80 1.709 -7.459 -4.616 1.00 0.00 H new ATOM 0 HA TYR A 80 0.818 -5.738 -6.842 1.00 0.00 H new ATOM 0 HB2 TYR A 80 2.057 -4.845 -4.210 1.00 0.00 H new ATOM 0 HB3 TYR A 80 1.881 -3.817 -5.618 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.340 -3.000 -6.303 1.00 0.00 H new ATOM 0 HD2 TYR A 80 0.095 -5.492 -2.875 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -2.607 -2.395 -5.577 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -2.172 -4.892 -2.147 1.00 0.00 H new ATOM 0 HH TYR A 80 -4.004 -3.730 -2.573 1.00 0.00 H new ATOM 1260 N MET A 81 3.182 -5.513 -7.684 1.00 0.00 N ATOM 1261 CA MET A 81 4.499 -5.628 -8.298 1.00 0.00 C ATOM 1262 C MET A 81 4.730 -4.505 -9.304 1.00 0.00 C ATOM 1263 O MET A 81 3.836 -3.700 -9.567 1.00 0.00 O ATOM 1264 CB MET A 81 4.647 -6.985 -8.989 1.00 0.00 C ATOM 1265 CG MET A 81 3.936 -7.065 -10.330 1.00 0.00 C ATOM 1266 SD MET A 81 4.526 -8.431 -11.349 1.00 0.00 S ATOM 1267 CE MET A 81 3.370 -9.720 -10.888 1.00 0.00 C ATOM 0 H MET A 81 2.515 -4.955 -8.217 1.00 0.00 H new ATOM 0 HA MET A 81 5.248 -5.546 -7.510 1.00 0.00 H new ATOM 0 HB2 MET A 81 5.706 -7.195 -9.136 1.00 0.00 H new ATOM 0 HB3 MET A 81 4.256 -7.762 -8.333 1.00 0.00 H new ATOM 0 HG2 MET A 81 2.865 -7.178 -10.163 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.077 -6.128 -10.868 1.00 0.00 H new ATOM 0 HE1 MET A 81 3.760 -10.688 -11.203 1.00 0.00 H new ATOM 0 HE2 MET A 81 3.234 -9.717 -9.806 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.411 -9.540 -11.374 1.00 0.00 H new ATOM 1277 N LEU A 82 5.934 -4.456 -9.863 1.00 0.00 N ATOM 1278 CA LEU A 82 6.283 -3.431 -10.841 1.00 0.00 C ATOM 1279 C LEU A 82 5.291 -3.423 -11.999 1.00 0.00 C ATOM 1280 O LEU A 82 4.963 -4.471 -12.556 1.00 0.00 O ATOM 1281 CB LEU A 82 7.700 -3.662 -11.369 1.00 0.00 C ATOM 1282 CG LEU A 82 8.839 -3.300 -10.415 1.00 0.00 C ATOM 1283 CD1 LEU A 82 10.072 -4.138 -10.715 1.00 0.00 C ATOM 1284 CD2 LEU A 82 9.164 -1.816 -10.512 1.00 0.00 C ATOM 0 H LEU A 82 6.685 -5.114 -9.656 1.00 0.00 H new ATOM 0 HA LEU A 82 6.241 -2.461 -10.345 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.799 -4.714 -11.638 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.823 -3.085 -12.286 1.00 0.00 H new ATOM 0 HG LEU A 82 8.517 -3.515 -9.396 1.00 0.00 H new ATOM 0 HD11 LEU A 82 10.872 -3.867 -10.027 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.832 -5.194 -10.595 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.397 -3.954 -11.739 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.977 -1.576 -9.826 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.466 -1.576 -11.531 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.282 -1.232 -10.248 1.00 0.00 H new ATOM 1296 N TYR A 83 4.818 -2.235 -12.359 1.00 0.00 N ATOM 1297 CA TYR A 83 3.863 -2.091 -13.451 1.00 0.00 C ATOM 1298 C TYR A 83 4.418 -2.687 -14.741 1.00 0.00 C ATOM 1299 O TYR A 83 3.693 -3.324 -15.505 1.00 0.00 O ATOM 1300 CB TYR A 83 3.519 -0.616 -13.665 1.00 0.00 C ATOM 1301 CG TYR A 83 2.423 -0.391 -14.681 1.00 0.00 C ATOM 1302 CD1 TYR A 83 1.220 -1.080 -14.599 1.00 0.00 C ATOM 1303 CD2 TYR A 83 2.591 0.513 -15.724 1.00 0.00 C ATOM 1304 CE1 TYR A 83 0.216 -0.878 -15.526 1.00 0.00 C ATOM 1305 CE2 TYR A 83 1.591 0.723 -16.655 1.00 0.00 C ATOM 1306 CZ TYR A 83 0.406 0.024 -16.552 1.00 0.00 C ATOM 1307 OH TYR A 83 -0.592 0.230 -17.477 1.00 0.00 O ATOM 0 H TYR A 83 5.081 -1.357 -11.910 1.00 0.00 H new ATOM 0 HA TYR A 83 2.957 -2.633 -13.181 1.00 0.00 H new ATOM 0 HB2 TYR A 83 3.215 -0.181 -12.713 1.00 0.00 H new ATOM 0 HB3 TYR A 83 4.415 -0.086 -13.986 1.00 0.00 H new ATOM 0 HD1 TYR A 83 1.067 -1.786 -13.796 1.00 0.00 H new ATOM 0 HD2 TYR A 83 3.518 1.060 -15.808 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -0.713 -1.423 -15.448 1.00 0.00 H new ATOM 0 HE2 TYR A 83 1.736 1.430 -17.458 1.00 0.00 H new ATOM 0 HH TYR A 83 -0.298 0.897 -18.132 1.00 0.00 H new ATOM 1317 N ASN A 84 5.709 -2.476 -14.976 1.00 0.00 N ATOM 1318 CA ASN A 84 6.362 -2.992 -16.174 1.00 0.00 C ATOM 1319 C ASN A 84 6.339 -4.517 -16.192 1.00 0.00 C ATOM 1320 O ASN A 84 6.125 -5.134 -17.236 1.00 0.00 O ATOM 1321 CB ASN A 84 7.806 -2.492 -16.247 1.00 0.00 C ATOM 1322 CG ASN A 84 7.903 -1.083 -16.799 1.00 0.00 C ATOM 1323 OD1 ASN A 84 8.184 -0.885 -17.981 1.00 0.00 O ATOM 1324 ND2 ASN A 84 7.670 -0.095 -15.942 1.00 0.00 N ATOM 0 H ASN A 84 6.323 -1.952 -14.353 1.00 0.00 H new ATOM 0 HA ASN A 84 5.813 -2.628 -17.043 1.00 0.00 H new ATOM 0 HB2 ASN A 84 8.248 -2.520 -15.251 1.00 0.00 H new ATOM 0 HB3 ASN A 84 8.390 -3.166 -16.874 1.00 0.00 H new ATOM 0 HD21 ASN A 84 7.721 0.874 -16.255 1.00 0.00 H new ATOM 0 HD22 ASN A 84 7.440 -0.306 -14.971 1.00 0.00 H new