USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 579 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 30 THR OG1 : rot 180:sc= -0.0337 USER MOD Set 1.2: A 33 GLN : amide:sc= 0 X(o=-0.034,f=-0.034) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.00165 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -21:sc= 0.275 USER MOD Single : A 28 THR OG1 : rot -45:sc= 0.783 USER MOD Single : A 31 GLN : amide:sc= -0.163 X(o=-0.16,f=-0.014) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 30:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.507 K(o=-0.51,f=-1.8) USER MOD Single : A 42 CYS SG : rot 61:sc= 0.572 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -1.91 K(o=-1.9,f=-3.6!) USER MOD Single : A 50 ASN : amide:sc= 0.493 X(o=0.49,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 83:sc= 0.182 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 1.15 K(o=1.1,f=-0.28) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 167 N ARG A 16 3.514 13.395 -0.982 1.00 0.00 N ATOM 168 CA ARG A 16 4.797 12.836 -1.392 1.00 0.00 C ATOM 169 C ARG A 16 5.182 11.653 -0.508 1.00 0.00 C ATOM 170 O ARG A 16 5.439 10.554 -1.000 1.00 0.00 O ATOM 171 CB ARG A 16 5.887 13.908 -1.332 1.00 0.00 C ATOM 172 CG ARG A 16 7.050 13.646 -2.274 1.00 0.00 C ATOM 173 CD ARG A 16 8.005 14.829 -2.322 1.00 0.00 C ATOM 174 NE ARG A 16 9.135 14.585 -3.215 1.00 0.00 N ATOM 175 CZ ARG A 16 9.914 15.548 -3.695 1.00 0.00 C ATOM 176 NH1 ARG A 16 9.687 16.813 -3.368 1.00 0.00 N ATOM 177 NH2 ARG A 16 10.922 15.247 -4.503 1.00 0.00 N ATOM 0 HA ARG A 16 4.700 12.483 -2.419 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.447 14.876 -1.572 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.264 13.974 -0.312 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.588 12.755 -1.950 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.670 13.443 -3.275 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.466 15.717 -2.654 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.375 15.037 -1.318 1.00 0.00 H new ATOM 0 HE ARG A 16 9.337 13.622 -3.485 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.913 17.048 -2.747 1.00 0.00 H new ATOM 0 HH12 ARG A 16 10.286 17.551 -3.738 1.00 0.00 H new ATOM 0 HH21 ARG A 16 11.100 14.275 -4.756 1.00 0.00 H new ATOM 0 HH22 ARG A 16 11.519 15.987 -4.871 1.00 0.00 H new ATOM 191 N THR A 17 5.221 11.887 0.800 1.00 0.00 N ATOM 192 CA THR A 17 5.577 10.842 1.752 1.00 0.00 C ATOM 193 C THR A 17 4.338 10.284 2.444 1.00 0.00 C ATOM 194 O THR A 17 4.375 9.946 3.627 1.00 0.00 O ATOM 195 CB THR A 17 6.555 11.366 2.821 1.00 0.00 C ATOM 196 OG1 THR A 17 6.098 12.625 3.328 1.00 0.00 O ATOM 197 CG2 THR A 17 7.953 11.523 2.243 1.00 0.00 C ATOM 0 H THR A 17 5.011 12.790 1.224 1.00 0.00 H new ATOM 0 HA THR A 17 6.062 10.048 1.184 1.00 0.00 H new ATOM 0 HB THR A 17 6.594 10.641 3.634 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.724 12.950 4.008 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.627 11.894 3.015 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.309 10.557 1.884 1.00 0.00 H new ATOM 0 HG23 THR A 17 7.927 12.230 1.414 1.00 0.00 H new ATOM 205 N ALA A 18 3.242 10.189 1.698 1.00 0.00 N ATOM 206 CA ALA A 18 1.993 9.668 2.239 1.00 0.00 C ATOM 207 C ALA A 18 1.964 8.144 2.187 1.00 0.00 C ATOM 208 O ALA A 18 1.927 7.478 3.222 1.00 0.00 O ATOM 209 CB ALA A 18 0.807 10.246 1.480 1.00 0.00 C ATOM 0 H ALA A 18 3.194 10.466 0.718 1.00 0.00 H new ATOM 0 HA ALA A 18 1.925 9.971 3.284 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.119 9.848 1.895 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.809 11.332 1.573 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.880 9.972 0.427 1.00 0.00 H new ATOM 215 N LEU A 19 1.982 7.598 0.976 1.00 0.00 N ATOM 216 CA LEU A 19 1.957 6.152 0.789 1.00 0.00 C ATOM 217 C LEU A 19 2.723 5.445 1.903 1.00 0.00 C ATOM 218 O LEU A 19 2.320 4.378 2.367 1.00 0.00 O ATOM 219 CB LEU A 19 2.556 5.784 -0.570 1.00 0.00 C ATOM 220 CG LEU A 19 2.312 6.781 -1.703 1.00 0.00 C ATOM 221 CD1 LEU A 19 2.779 6.204 -3.031 1.00 0.00 C ATOM 222 CD2 LEU A 19 0.840 7.160 -1.773 1.00 0.00 C ATOM 0 H LEU A 19 2.014 8.135 0.109 1.00 0.00 H new ATOM 0 HA LEU A 19 0.918 5.824 0.823 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.632 5.659 -0.448 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.155 4.816 -0.872 1.00 0.00 H new ATOM 0 HG LEU A 19 2.889 7.683 -1.498 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.597 6.927 -3.826 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.845 5.984 -2.977 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.229 5.287 -3.243 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.685 7.870 -2.585 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.242 6.266 -1.954 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.536 7.615 -0.830 1.00 0.00 H new ATOM 234 N TYR A 20 3.827 6.048 2.329 1.00 0.00 N ATOM 235 CA TYR A 20 4.649 5.477 3.389 1.00 0.00 C ATOM 236 C TYR A 20 3.969 5.627 4.747 1.00 0.00 C ATOM 237 O TYR A 20 3.786 4.650 5.474 1.00 0.00 O ATOM 238 CB TYR A 20 6.022 6.150 3.417 1.00 0.00 C ATOM 239 CG TYR A 20 6.652 6.297 2.050 1.00 0.00 C ATOM 240 CD1 TYR A 20 6.295 7.343 1.208 1.00 0.00 C ATOM 241 CD2 TYR A 20 7.605 5.391 1.601 1.00 0.00 C ATOM 242 CE1 TYR A 20 6.867 7.481 -0.042 1.00 0.00 C ATOM 243 CE2 TYR A 20 8.184 5.522 0.354 1.00 0.00 C ATOM 244 CZ TYR A 20 7.811 6.568 -0.464 1.00 0.00 C ATOM 245 OH TYR A 20 8.384 6.703 -1.708 1.00 0.00 O ATOM 0 H TYR A 20 4.173 6.932 1.957 1.00 0.00 H new ATOM 0 HA TYR A 20 4.777 4.414 3.182 1.00 0.00 H new ATOM 0 HB2 TYR A 20 5.925 7.136 3.871 1.00 0.00 H new ATOM 0 HB3 TYR A 20 6.689 5.570 4.055 1.00 0.00 H new ATOM 0 HD1 TYR A 20 5.558 8.061 1.536 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.898 4.570 2.238 1.00 0.00 H new ATOM 0 HE1 TYR A 20 6.577 8.299 -0.685 1.00 0.00 H new ATOM 0 HE2 TYR A 20 8.924 4.810 0.021 1.00 0.00 H new ATOM 0 HH TYR A 20 9.029 5.980 -1.851 1.00 0.00 H new ATOM 255 N ASP A 21 3.596 6.858 5.081 1.00 0.00 N ATOM 256 CA ASP A 21 2.935 7.138 6.350 1.00 0.00 C ATOM 257 C ASP A 21 1.759 6.191 6.571 1.00 0.00 C ATOM 258 O ASP A 21 1.506 5.749 7.693 1.00 0.00 O ATOM 259 CB ASP A 21 2.451 8.588 6.389 1.00 0.00 C ATOM 260 CG ASP A 21 1.688 8.911 7.658 1.00 0.00 C ATOM 261 OD1 ASP A 21 2.338 9.120 8.704 1.00 0.00 O ATOM 262 OD2 ASP A 21 0.441 8.953 7.607 1.00 0.00 O ATOM 0 H ASP A 21 3.740 7.677 4.491 1.00 0.00 H new ATOM 0 HA ASP A 21 3.659 6.983 7.150 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.308 9.256 6.304 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.812 8.778 5.526 1.00 0.00 H new ATOM 267 N LEU A 22 1.044 5.883 5.495 1.00 0.00 N ATOM 268 CA LEU A 22 -0.106 4.989 5.570 1.00 0.00 C ATOM 269 C LEU A 22 0.293 3.635 6.150 1.00 0.00 C ATOM 270 O LEU A 22 -0.511 2.962 6.795 1.00 0.00 O ATOM 271 CB LEU A 22 -0.722 4.800 4.183 1.00 0.00 C ATOM 272 CG LEU A 22 -1.749 5.849 3.757 1.00 0.00 C ATOM 273 CD1 LEU A 22 -1.060 7.035 3.099 1.00 0.00 C ATOM 274 CD2 LEU A 22 -2.777 5.238 2.815 1.00 0.00 C ATOM 0 H LEU A 22 1.240 6.239 4.560 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.845 5.443 6.230 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.083 4.789 3.448 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.198 3.820 4.149 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.267 6.204 4.648 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.807 7.771 2.802 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.364 7.488 3.804 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.515 6.696 2.218 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.500 5.999 2.522 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.274 4.854 1.927 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.294 4.422 3.320 1.00 0.00 H new ATOM 286 N LEU A 23 1.541 3.244 5.918 1.00 0.00 N ATOM 287 CA LEU A 23 2.050 1.971 6.420 1.00 0.00 C ATOM 288 C LEU A 23 2.924 2.182 7.651 1.00 0.00 C ATOM 289 O LEU A 23 2.620 1.683 8.734 1.00 0.00 O ATOM 290 CB LEU A 23 2.848 1.254 5.330 1.00 0.00 C ATOM 291 CG LEU A 23 2.051 0.317 4.421 1.00 0.00 C ATOM 292 CD1 LEU A 23 1.070 1.106 3.569 1.00 0.00 C ATOM 293 CD2 LEU A 23 2.988 -0.499 3.543 1.00 0.00 C ATOM 0 H LEU A 23 2.219 3.789 5.386 1.00 0.00 H new ATOM 0 HA LEU A 23 1.198 1.353 6.704 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.332 2.007 4.708 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.640 0.677 5.807 1.00 0.00 H new ATOM 0 HG LEU A 23 1.483 -0.370 5.048 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.512 0.422 2.929 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.377 1.644 4.216 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.616 1.818 2.950 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.403 -1.160 2.903 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.583 0.172 2.924 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.649 -1.095 4.172 1.00 0.00 H new ATOM 305 N GLY A 24 4.013 2.926 7.478 1.00 0.00 N ATOM 306 CA GLY A 24 4.914 3.191 8.585 1.00 0.00 C ATOM 307 C GLY A 24 6.345 2.800 8.273 1.00 0.00 C ATOM 308 O GLY A 24 7.127 2.508 9.178 1.00 0.00 O ATOM 0 H GLY A 24 4.287 3.350 6.592 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.876 4.251 8.834 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.575 2.644 9.465 1.00 0.00 H new ATOM 312 N VAL A 25 6.689 2.794 6.989 1.00 0.00 N ATOM 313 CA VAL A 25 8.035 2.435 6.561 1.00 0.00 C ATOM 314 C VAL A 25 8.769 3.642 5.988 1.00 0.00 C ATOM 315 O VAL A 25 8.166 4.566 5.442 1.00 0.00 O ATOM 316 CB VAL A 25 8.008 1.315 5.503 1.00 0.00 C ATOM 317 CG1 VAL A 25 7.492 0.020 6.110 1.00 0.00 C ATOM 318 CG2 VAL A 25 7.160 1.730 4.310 1.00 0.00 C ATOM 0 H VAL A 25 6.054 3.034 6.228 1.00 0.00 H new ATOM 0 HA VAL A 25 8.563 2.077 7.445 1.00 0.00 H new ATOM 0 HB VAL A 25 9.026 1.144 5.154 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.480 -0.759 5.348 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.144 -0.283 6.929 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.481 0.173 6.489 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.152 0.927 3.573 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.141 1.930 4.640 1.00 0.00 H new ATOM 0 HG23 VAL A 25 7.579 2.631 3.861 1.00 0.00 H new ATOM 328 N PRO A 26 10.105 3.637 6.114 1.00 0.00 N ATOM 329 CA PRO A 26 10.951 4.724 5.614 1.00 0.00 C ATOM 330 C PRO A 26 10.997 4.770 4.090 1.00 0.00 C ATOM 331 O PRO A 26 10.321 3.993 3.416 1.00 0.00 O ATOM 332 CB PRO A 26 12.333 4.388 6.181 1.00 0.00 C ATOM 333 CG PRO A 26 12.309 2.913 6.387 1.00 0.00 C ATOM 334 CD PRO A 26 10.891 2.569 6.754 1.00 0.00 C ATOM 0 HA PRO A 26 10.577 5.702 5.916 1.00 0.00 H new ATOM 0 HB2 PRO A 26 13.125 4.679 5.491 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.516 4.916 7.117 1.00 0.00 H new ATOM 0 HG2 PRO A 26 12.617 2.388 5.483 1.00 0.00 H new ATOM 0 HG3 PRO A 26 12.999 2.618 7.177 1.00 0.00 H new ATOM 0 HD2 PRO A 26 10.608 1.584 6.383 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.747 2.556 7.834 1.00 0.00 H new ATOM 342 N SER A 27 11.799 5.684 3.554 1.00 0.00 N ATOM 343 CA SER A 27 11.931 5.832 2.109 1.00 0.00 C ATOM 344 C SER A 27 12.881 4.783 1.540 1.00 0.00 C ATOM 345 O SER A 27 12.920 4.554 0.330 1.00 0.00 O ATOM 346 CB SER A 27 12.434 7.235 1.763 1.00 0.00 C ATOM 347 OG SER A 27 12.599 7.386 0.364 1.00 0.00 O ATOM 0 H SER A 27 12.367 6.333 4.098 1.00 0.00 H new ATOM 0 HA SER A 27 10.948 5.686 1.662 1.00 0.00 H new ATOM 0 HB2 SER A 27 11.728 7.979 2.132 1.00 0.00 H new ATOM 0 HB3 SER A 27 13.383 7.419 2.266 1.00 0.00 H new ATOM 0 HG SER A 27 12.688 6.503 -0.052 1.00 0.00 H new ATOM 353 N THR A 28 13.649 4.148 2.420 1.00 0.00 N ATOM 354 CA THR A 28 14.600 3.125 2.007 1.00 0.00 C ATOM 355 C THR A 28 14.283 1.784 2.659 1.00 0.00 C ATOM 356 O THR A 28 15.162 0.938 2.821 1.00 0.00 O ATOM 357 CB THR A 28 16.045 3.525 2.361 1.00 0.00 C ATOM 358 OG1 THR A 28 16.968 2.606 1.768 1.00 0.00 O ATOM 359 CG2 THR A 28 16.245 3.551 3.869 1.00 0.00 C ATOM 0 H THR A 28 13.630 4.325 3.424 1.00 0.00 H new ATOM 0 HA THR A 28 14.511 3.030 0.925 1.00 0.00 H new ATOM 0 HB THR A 28 16.228 4.525 1.969 1.00 0.00 H new ATOM 0 HG1 THR A 28 16.655 1.689 1.913 1.00 0.00 H new ATOM 0 HG21 THR A 28 17.273 3.836 4.095 1.00 0.00 H new ATOM 0 HG22 THR A 28 15.562 4.274 4.314 1.00 0.00 H new ATOM 0 HG23 THR A 28 16.044 2.562 4.280 1.00 0.00 H new ATOM 367 N ALA A 29 13.020 1.595 3.029 1.00 0.00 N ATOM 368 CA ALA A 29 12.587 0.355 3.660 1.00 0.00 C ATOM 369 C ALA A 29 12.920 -0.851 2.788 1.00 0.00 C ATOM 370 O ALA A 29 13.456 -0.706 1.689 1.00 0.00 O ATOM 371 CB ALA A 29 11.093 0.404 3.948 1.00 0.00 C ATOM 0 H ALA A 29 12.280 2.285 2.902 1.00 0.00 H new ATOM 0 HA ALA A 29 13.125 0.248 4.602 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.783 -0.528 4.419 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.879 1.238 4.617 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.547 0.538 3.014 1.00 0.00 H new ATOM 377 N THR A 30 12.601 -2.041 3.286 1.00 0.00 N ATOM 378 CA THR A 30 12.868 -3.273 2.553 1.00 0.00 C ATOM 379 C THR A 30 11.581 -4.043 2.283 1.00 0.00 C ATOM 380 O THR A 30 10.573 -3.839 2.959 1.00 0.00 O ATOM 381 CB THR A 30 13.846 -4.182 3.321 1.00 0.00 C ATOM 382 OG1 THR A 30 13.278 -4.559 4.580 1.00 0.00 O ATOM 383 CG2 THR A 30 15.175 -3.478 3.548 1.00 0.00 C ATOM 0 H THR A 30 12.157 -2.178 4.194 1.00 0.00 H new ATOM 0 HA THR A 30 13.320 -2.984 1.604 1.00 0.00 H new ATOM 0 HB THR A 30 14.025 -5.075 2.722 1.00 0.00 H new ATOM 0 HG1 THR A 30 13.905 -5.138 5.062 1.00 0.00 H new ATOM 0 HG21 THR A 30 15.849 -4.140 4.092 1.00 0.00 H new ATOM 0 HG22 THR A 30 15.618 -3.219 2.587 1.00 0.00 H new ATOM 0 HG23 THR A 30 15.011 -2.570 4.128 1.00 0.00 H new ATOM 391 N GLN A 31 11.623 -4.927 1.292 1.00 0.00 N ATOM 392 CA GLN A 31 10.458 -5.728 0.934 1.00 0.00 C ATOM 393 C GLN A 31 9.832 -6.363 2.172 1.00 0.00 C ATOM 394 O GLN A 31 8.622 -6.282 2.378 1.00 0.00 O ATOM 395 CB GLN A 31 10.849 -6.815 -0.069 1.00 0.00 C ATOM 396 CG GLN A 31 9.715 -7.771 -0.402 1.00 0.00 C ATOM 397 CD GLN A 31 9.893 -8.441 -1.750 1.00 0.00 C ATOM 398 OE1 GLN A 31 9.902 -9.668 -1.851 1.00 0.00 O ATOM 399 NE2 GLN A 31 10.036 -7.636 -2.797 1.00 0.00 N ATOM 0 H GLN A 31 12.450 -5.107 0.723 1.00 0.00 H new ATOM 0 HA GLN A 31 9.722 -5.068 0.475 1.00 0.00 H new ATOM 0 HB2 GLN A 31 11.196 -6.342 -0.988 1.00 0.00 H new ATOM 0 HB3 GLN A 31 11.687 -7.384 0.333 1.00 0.00 H new ATOM 0 HG2 GLN A 31 9.649 -8.535 0.373 1.00 0.00 H new ATOM 0 HG3 GLN A 31 8.771 -7.226 -0.393 1.00 0.00 H new ATOM 0 HE21 GLN A 31 10.022 -6.624 -2.668 1.00 0.00 H new ATOM 0 HE22 GLN A 31 10.159 -8.030 -3.730 1.00 0.00 H new ATOM 408 N ALA A 32 10.665 -6.995 2.992 1.00 0.00 N ATOM 409 CA ALA A 32 10.194 -7.642 4.210 1.00 0.00 C ATOM 410 C ALA A 32 9.380 -6.676 5.065 1.00 0.00 C ATOM 411 O ALA A 32 8.462 -7.085 5.775 1.00 0.00 O ATOM 412 CB ALA A 32 11.369 -8.191 5.005 1.00 0.00 C ATOM 0 H ALA A 32 11.670 -7.073 2.835 1.00 0.00 H new ATOM 0 HA ALA A 32 9.545 -8.470 3.924 1.00 0.00 H new ATOM 0 HB1 ALA A 32 11.002 -8.671 5.912 1.00 0.00 H new ATOM 0 HB2 ALA A 32 11.908 -8.921 4.401 1.00 0.00 H new ATOM 0 HB3 ALA A 32 12.040 -7.375 5.273 1.00 0.00 H new ATOM 418 N GLN A 33 9.724 -5.394 4.992 1.00 0.00 N ATOM 419 CA GLN A 33 9.025 -4.371 5.761 1.00 0.00 C ATOM 420 C GLN A 33 7.761 -3.916 5.039 1.00 0.00 C ATOM 421 O GLN A 33 6.648 -4.159 5.504 1.00 0.00 O ATOM 422 CB GLN A 33 9.944 -3.174 6.010 1.00 0.00 C ATOM 423 CG GLN A 33 11.061 -3.460 7.001 1.00 0.00 C ATOM 424 CD GLN A 33 11.790 -2.204 7.437 1.00 0.00 C ATOM 425 OE1 GLN A 33 11.277 -1.419 8.235 1.00 0.00 O ATOM 426 NE2 GLN A 33 12.995 -2.008 6.914 1.00 0.00 N ATOM 0 H GLN A 33 10.482 -5.039 4.409 1.00 0.00 H new ATOM 0 HA GLN A 33 8.738 -4.805 6.719 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.382 -2.859 5.063 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.348 -2.339 6.378 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.645 -3.957 7.878 1.00 0.00 H new ATOM 0 HG3 GLN A 33 11.773 -4.151 6.550 1.00 0.00 H new ATOM 0 HE21 GLN A 33 13.382 -2.685 6.256 1.00 0.00 H new ATOM 0 HE22 GLN A 33 13.534 -1.181 7.170 1.00 0.00 H new ATOM 435 N ILE A 34 7.942 -3.253 3.901 1.00 0.00 N ATOM 436 CA ILE A 34 6.816 -2.765 3.116 1.00 0.00 C ATOM 437 C ILE A 34 5.700 -3.802 3.050 1.00 0.00 C ATOM 438 O ILE A 34 4.531 -3.462 2.868 1.00 0.00 O ATOM 439 CB ILE A 34 7.246 -2.398 1.683 1.00 0.00 C ATOM 440 CG1 ILE A 34 8.284 -1.274 1.710 1.00 0.00 C ATOM 441 CG2 ILE A 34 6.036 -1.990 0.855 1.00 0.00 C ATOM 442 CD1 ILE A 34 8.741 -0.841 0.335 1.00 0.00 C ATOM 0 H ILE A 34 8.857 -3.042 3.503 1.00 0.00 H new ATOM 0 HA ILE A 34 6.447 -1.870 3.617 1.00 0.00 H new ATOM 0 HB ILE A 34 7.700 -3.274 1.220 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.863 -0.414 2.232 1.00 0.00 H new ATOM 0 HG13 ILE A 34 9.150 -1.603 2.285 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.356 -1.734 -0.155 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.328 -2.818 0.812 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.556 -1.126 1.314 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.476 -0.042 0.431 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.192 -1.688 -0.182 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.885 -0.481 -0.236 1.00 0.00 H new ATOM 454 N LYS A 35 6.069 -5.070 3.201 1.00 0.00 N ATOM 455 CA LYS A 35 5.100 -6.158 3.162 1.00 0.00 C ATOM 456 C LYS A 35 4.421 -6.332 4.517 1.00 0.00 C ATOM 457 O LYS A 35 3.208 -6.167 4.640 1.00 0.00 O ATOM 458 CB LYS A 35 5.785 -7.464 2.752 1.00 0.00 C ATOM 459 CG LYS A 35 4.831 -8.640 2.634 1.00 0.00 C ATOM 460 CD LYS A 35 5.581 -9.952 2.470 1.00 0.00 C ATOM 461 CE LYS A 35 4.753 -10.976 1.709 1.00 0.00 C ATOM 462 NZ LYS A 35 5.565 -12.158 1.308 1.00 0.00 N ATOM 0 H LYS A 35 7.033 -5.369 3.352 1.00 0.00 H new ATOM 0 HA LYS A 35 4.339 -5.906 2.424 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.287 -7.317 1.796 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.557 -7.705 3.483 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.200 -8.689 3.522 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.169 -8.489 1.781 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.517 -9.774 1.941 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.840 -10.349 3.451 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.919 -11.302 2.330 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.326 -10.510 0.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.965 -12.833 0.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.347 -11.850 0.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.952 -12.618 2.157 1.00 0.00 H new ATOM 476 N ALA A 36 5.213 -6.663 5.532 1.00 0.00 N ATOM 477 CA ALA A 36 4.689 -6.855 6.878 1.00 0.00 C ATOM 478 C ALA A 36 3.859 -5.654 7.321 1.00 0.00 C ATOM 479 O ALA A 36 3.001 -5.769 8.195 1.00 0.00 O ATOM 480 CB ALA A 36 5.827 -7.102 7.857 1.00 0.00 C ATOM 0 H ALA A 36 6.220 -6.804 5.447 1.00 0.00 H new ATOM 0 HA ALA A 36 4.038 -7.729 6.866 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.421 -7.244 8.859 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.376 -7.995 7.558 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.500 -6.245 7.856 1.00 0.00 H new ATOM 486 N ALA A 37 4.122 -4.503 6.712 1.00 0.00 N ATOM 487 CA ALA A 37 3.399 -3.281 7.042 1.00 0.00 C ATOM 488 C ALA A 37 1.982 -3.313 6.481 1.00 0.00 C ATOM 489 O ALA A 37 1.011 -3.099 7.207 1.00 0.00 O ATOM 490 CB ALA A 37 4.149 -2.066 6.518 1.00 0.00 C ATOM 0 H ALA A 37 4.831 -4.391 5.987 1.00 0.00 H new ATOM 0 HA ALA A 37 3.330 -3.211 8.128 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.597 -1.161 6.772 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.140 -2.026 6.971 1.00 0.00 H new ATOM 0 HB3 ALA A 37 4.248 -2.139 5.435 1.00 0.00 H new ATOM 496 N TYR A 38 1.870 -3.582 5.185 1.00 0.00 N ATOM 497 CA TYR A 38 0.571 -3.638 4.525 1.00 0.00 C ATOM 498 C TYR A 38 -0.332 -4.673 5.189 1.00 0.00 C ATOM 499 O TYR A 38 -1.557 -4.601 5.088 1.00 0.00 O ATOM 500 CB TYR A 38 0.743 -3.971 3.042 1.00 0.00 C ATOM 501 CG TYR A 38 -0.525 -4.465 2.382 1.00 0.00 C ATOM 502 CD1 TYR A 38 -1.612 -3.619 2.200 1.00 0.00 C ATOM 503 CD2 TYR A 38 -0.635 -5.778 1.941 1.00 0.00 C ATOM 504 CE1 TYR A 38 -2.772 -4.066 1.598 1.00 0.00 C ATOM 505 CE2 TYR A 38 -1.791 -6.233 1.336 1.00 0.00 C ATOM 506 CZ TYR A 38 -2.857 -5.374 1.167 1.00 0.00 C ATOM 507 OH TYR A 38 -4.010 -5.824 0.567 1.00 0.00 O ATOM 0 H TYR A 38 2.663 -3.765 4.570 1.00 0.00 H new ATOM 0 HA TYR A 38 0.101 -2.659 4.618 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.094 -3.083 2.517 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.518 -4.730 2.936 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.549 -2.594 2.535 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.197 -6.454 2.073 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.608 -3.395 1.465 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -1.860 -7.256 0.997 1.00 0.00 H new ATOM 0 HH TYR A 38 -3.905 -6.767 0.322 1.00 0.00 H new ATOM 517 N TYR A 39 0.282 -5.636 5.868 1.00 0.00 N ATOM 518 CA TYR A 39 -0.465 -6.687 6.548 1.00 0.00 C ATOM 519 C TYR A 39 -1.088 -6.166 7.839 1.00 0.00 C ATOM 520 O TYR A 39 -2.310 -6.159 7.993 1.00 0.00 O ATOM 521 CB TYR A 39 0.449 -7.875 6.853 1.00 0.00 C ATOM 522 CG TYR A 39 0.588 -8.845 5.702 1.00 0.00 C ATOM 523 CD1 TYR A 39 -0.529 -9.288 5.004 1.00 0.00 C ATOM 524 CD2 TYR A 39 1.835 -9.318 5.312 1.00 0.00 C ATOM 525 CE1 TYR A 39 -0.407 -10.175 3.951 1.00 0.00 C ATOM 526 CE2 TYR A 39 1.966 -10.203 4.260 1.00 0.00 C ATOM 527 CZ TYR A 39 0.842 -10.629 3.582 1.00 0.00 C ATOM 528 OH TYR A 39 0.968 -11.512 2.535 1.00 0.00 O ATOM 0 H TYR A 39 1.295 -5.710 5.962 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.267 -7.014 5.886 1.00 0.00 H new ATOM 0 HB2 TYR A 39 1.437 -7.502 7.124 1.00 0.00 H new ATOM 0 HB3 TYR A 39 0.060 -8.408 7.721 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.509 -8.933 5.289 1.00 0.00 H new ATOM 0 HD2 TYR A 39 2.717 -8.988 5.841 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -1.285 -10.511 3.420 1.00 0.00 H new ATOM 0 HE2 TYR A 39 2.943 -10.560 3.969 1.00 0.00 H new ATOM 0 HH TYR A 39 0.246 -11.360 1.890 1.00 0.00 H new ATOM 538 N ARG A 40 -0.240 -5.728 8.763 1.00 0.00 N ATOM 539 CA ARG A 40 -0.705 -5.205 10.042 1.00 0.00 C ATOM 540 C ARG A 40 -1.928 -4.312 9.850 1.00 0.00 C ATOM 541 O ARG A 40 -2.728 -4.135 10.769 1.00 0.00 O ATOM 542 CB ARG A 40 0.410 -4.418 10.732 1.00 0.00 C ATOM 543 CG ARG A 40 0.967 -3.282 9.889 1.00 0.00 C ATOM 544 CD ARG A 40 1.611 -2.210 10.754 1.00 0.00 C ATOM 545 NE ARG A 40 2.904 -2.637 11.281 1.00 0.00 N ATOM 546 CZ ARG A 40 3.498 -2.065 12.323 1.00 0.00 C ATOM 547 NH1 ARG A 40 2.917 -1.049 12.946 1.00 0.00 N ATOM 548 NH2 ARG A 40 4.675 -2.510 12.744 1.00 0.00 N ATOM 0 H ARG A 40 0.774 -5.725 8.650 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.986 -6.050 10.671 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.029 -4.011 11.669 1.00 0.00 H new ATOM 0 HB3 ARG A 40 1.220 -5.101 10.987 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.703 -3.675 9.187 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.166 -2.840 9.297 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.741 -1.300 10.168 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.946 -1.963 11.581 1.00 0.00 H new ATOM 0 HE ARG A 40 3.377 -3.417 10.824 1.00 0.00 H new ATOM 0 HH11 ARG A 40 2.012 -0.705 12.626 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.375 -0.612 13.746 1.00 0.00 H new ATOM 0 HH21 ARG A 40 5.125 -3.292 12.268 1.00 0.00 H new ATOM 0 HH22 ARG A 40 5.130 -2.070 13.544 1.00 0.00 H new ATOM 562 N GLN A 41 -2.065 -3.753 8.653 1.00 0.00 N ATOM 563 CA GLN A 41 -3.189 -2.878 8.342 1.00 0.00 C ATOM 564 C GLN A 41 -4.454 -3.689 8.083 1.00 0.00 C ATOM 565 O GLN A 41 -5.542 -3.319 8.527 1.00 0.00 O ATOM 566 CB GLN A 41 -2.866 -2.010 7.124 1.00 0.00 C ATOM 567 CG GLN A 41 -1.756 -1.002 7.373 1.00 0.00 C ATOM 568 CD GLN A 41 -2.033 -0.112 8.569 1.00 0.00 C ATOM 569 OE1 GLN A 41 -3.187 0.114 8.935 1.00 0.00 O ATOM 570 NE2 GLN A 41 -0.973 0.399 9.185 1.00 0.00 N ATOM 0 H GLN A 41 -1.412 -3.890 7.882 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.363 -2.232 9.203 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -2.580 -2.656 6.294 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -3.767 -1.478 6.818 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.817 -1.533 7.530 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.628 -0.382 6.486 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.035 0.185 8.847 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -1.097 1.005 9.996 1.00 0.00 H new ATOM 579 N CYS A 42 -4.305 -4.794 7.361 1.00 0.00 N ATOM 580 CA CYS A 42 -5.437 -5.657 7.042 1.00 0.00 C ATOM 581 C CYS A 42 -6.155 -6.105 8.311 1.00 0.00 C ATOM 582 O CYS A 42 -7.370 -6.302 8.312 1.00 0.00 O ATOM 583 CB CYS A 42 -4.966 -6.878 6.250 1.00 0.00 C ATOM 584 SG CYS A 42 -4.217 -6.479 4.653 1.00 0.00 S ATOM 0 H CYS A 42 -3.412 -5.113 6.986 1.00 0.00 H new ATOM 0 HA CYS A 42 -6.138 -5.085 6.433 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -4.243 -7.430 6.850 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -5.816 -7.541 6.085 1.00 0.00 H new ATOM 0 HG CYS A 42 -3.168 -5.735 4.840 1.00 0.00 H new ATOM 590 N PHE A 43 -5.395 -6.265 9.389 1.00 0.00 N ATOM 591 CA PHE A 43 -5.958 -6.692 10.664 1.00 0.00 C ATOM 592 C PHE A 43 -6.708 -5.546 11.339 1.00 0.00 C ATOM 593 O PHE A 43 -7.857 -5.700 11.754 1.00 0.00 O ATOM 594 CB PHE A 43 -4.852 -7.206 11.588 1.00 0.00 C ATOM 595 CG PHE A 43 -5.315 -7.459 12.995 1.00 0.00 C ATOM 596 CD1 PHE A 43 -5.895 -8.668 13.341 1.00 0.00 C ATOM 597 CD2 PHE A 43 -5.169 -6.486 13.971 1.00 0.00 C ATOM 598 CE1 PHE A 43 -6.322 -8.903 14.634 1.00 0.00 C ATOM 599 CE2 PHE A 43 -5.594 -6.715 15.266 1.00 0.00 C ATOM 600 CZ PHE A 43 -6.170 -7.926 15.598 1.00 0.00 C ATOM 0 H PHE A 43 -4.388 -6.105 9.405 1.00 0.00 H new ATOM 0 HA PHE A 43 -6.663 -7.500 10.468 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -4.446 -8.130 11.176 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -4.039 -6.480 11.607 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -6.015 -9.436 12.591 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -4.718 -5.538 13.717 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.774 -9.850 14.890 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -5.476 -5.948 16.017 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.501 -8.108 16.610 1.00 0.00 H new ATOM 610 N LEU A 44 -6.049 -4.398 11.445 1.00 0.00 N ATOM 611 CA LEU A 44 -6.651 -3.225 12.069 1.00 0.00 C ATOM 612 C LEU A 44 -8.072 -3.007 11.561 1.00 0.00 C ATOM 613 O LEU A 44 -8.938 -2.528 12.293 1.00 0.00 O ATOM 614 CB LEU A 44 -5.802 -1.983 11.793 1.00 0.00 C ATOM 615 CG LEU A 44 -4.630 -1.745 12.746 1.00 0.00 C ATOM 616 CD1 LEU A 44 -3.782 -0.577 12.269 1.00 0.00 C ATOM 617 CD2 LEU A 44 -5.135 -1.498 14.161 1.00 0.00 C ATOM 0 H LEU A 44 -5.097 -4.254 11.107 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.692 -3.397 13.145 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.410 -2.053 10.778 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.452 -1.109 11.824 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.007 -2.639 12.755 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.953 -0.423 12.960 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.390 -0.794 11.275 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.394 0.324 12.230 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.288 -1.331 14.826 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.781 -0.620 14.169 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.698 -2.366 14.503 1.00 0.00 H new ATOM 629 N TYR A 45 -8.306 -3.362 10.302 1.00 0.00 N ATOM 630 CA TYR A 45 -9.622 -3.205 9.695 1.00 0.00 C ATOM 631 C TYR A 45 -9.887 -4.308 8.675 1.00 0.00 C ATOM 632 O TYR A 45 -9.326 -4.303 7.578 1.00 0.00 O ATOM 633 CB TYR A 45 -9.737 -1.836 9.024 1.00 0.00 C ATOM 634 CG TYR A 45 -9.271 -0.693 9.897 1.00 0.00 C ATOM 635 CD1 TYR A 45 -10.147 -0.056 10.768 1.00 0.00 C ATOM 636 CD2 TYR A 45 -7.956 -0.248 9.851 1.00 0.00 C ATOM 637 CE1 TYR A 45 -9.726 0.989 11.567 1.00 0.00 C ATOM 638 CE2 TYR A 45 -7.525 0.795 10.647 1.00 0.00 C ATOM 639 CZ TYR A 45 -8.414 1.411 11.503 1.00 0.00 C ATOM 640 OH TYR A 45 -7.990 2.452 12.297 1.00 0.00 O ATOM 0 H TYR A 45 -7.601 -3.761 9.682 1.00 0.00 H new ATOM 0 HA TYR A 45 -10.369 -3.279 10.485 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -9.152 -1.841 8.104 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -10.776 -1.666 8.741 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -11.175 -0.384 10.821 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.258 -0.727 9.180 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -10.420 1.473 12.238 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.498 1.126 10.600 1.00 0.00 H new ATOM 0 HH TYR A 45 -7.039 2.624 12.131 1.00 0.00 H new ATOM 650 N HIS A 46 -10.746 -5.253 9.043 1.00 0.00 N ATOM 651 CA HIS A 46 -11.087 -6.363 8.160 1.00 0.00 C ATOM 652 C HIS A 46 -12.385 -6.081 7.410 1.00 0.00 C ATOM 653 O HIS A 46 -13.185 -5.232 7.803 1.00 0.00 O ATOM 654 CB HIS A 46 -11.219 -7.658 8.962 1.00 0.00 C ATOM 655 CG HIS A 46 -9.930 -8.408 9.105 1.00 0.00 C ATOM 656 ND1 HIS A 46 -9.466 -9.294 8.157 1.00 0.00 N ATOM 657 CD2 HIS A 46 -9.005 -8.398 10.093 1.00 0.00 C ATOM 658 CE1 HIS A 46 -8.312 -9.799 8.556 1.00 0.00 C ATOM 659 NE2 HIS A 46 -8.010 -9.271 9.728 1.00 0.00 N ATOM 0 H HIS A 46 -11.219 -5.273 9.947 1.00 0.00 H new ATOM 0 HA HIS A 46 -10.284 -6.476 7.432 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -11.605 -7.424 9.954 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -11.953 -8.302 8.478 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -9.043 -7.812 11.000 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -7.717 -10.521 8.016 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -7.173 -9.478 10.274 1.00 0.00 H new ATOM 667 N PRO A 47 -12.599 -6.808 6.303 1.00 0.00 N ATOM 668 CA PRO A 47 -13.798 -6.653 5.475 1.00 0.00 C ATOM 669 C PRO A 47 -15.055 -7.164 6.172 1.00 0.00 C ATOM 670 O PRO A 47 -16.081 -6.485 6.197 1.00 0.00 O ATOM 671 CB PRO A 47 -13.489 -7.504 4.240 1.00 0.00 C ATOM 672 CG PRO A 47 -12.508 -8.519 4.716 1.00 0.00 C ATOM 673 CD PRO A 47 -11.688 -7.837 5.776 1.00 0.00 C ATOM 0 HA PRO A 47 -14.004 -5.607 5.249 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -14.390 -7.977 3.849 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -13.073 -6.898 3.435 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -13.017 -9.394 5.119 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -11.877 -8.866 3.898 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -11.377 -8.534 6.554 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -10.781 -7.397 5.361 1.00 0.00 H new ATOM 681 N ASP A 48 -14.966 -8.363 6.737 1.00 0.00 N ATOM 682 CA ASP A 48 -16.096 -8.964 7.436 1.00 0.00 C ATOM 683 C ASP A 48 -16.328 -8.282 8.780 1.00 0.00 C ATOM 684 O ASP A 48 -17.437 -7.836 9.077 1.00 0.00 O ATOM 685 CB ASP A 48 -15.856 -10.460 7.645 1.00 0.00 C ATOM 686 CG ASP A 48 -14.750 -10.736 8.644 1.00 0.00 C ATOM 687 OD1 ASP A 48 -15.048 -10.803 9.856 1.00 0.00 O ATOM 688 OD2 ASP A 48 -13.587 -10.886 8.216 1.00 0.00 O ATOM 0 H ASP A 48 -14.123 -8.938 6.725 1.00 0.00 H new ATOM 0 HA ASP A 48 -16.986 -8.828 6.821 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -16.778 -10.928 7.990 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -15.602 -10.921 6.690 1.00 0.00 H new ATOM 693 N ARG A 49 -15.276 -8.205 9.589 1.00 0.00 N ATOM 694 CA ARG A 49 -15.367 -7.579 10.902 1.00 0.00 C ATOM 695 C ARG A 49 -16.303 -6.374 10.867 1.00 0.00 C ATOM 696 O ARG A 49 -17.227 -6.270 11.673 1.00 0.00 O ATOM 697 CB ARG A 49 -13.980 -7.146 11.381 1.00 0.00 C ATOM 698 CG ARG A 49 -13.134 -8.291 11.913 1.00 0.00 C ATOM 699 CD ARG A 49 -11.920 -7.781 12.673 1.00 0.00 C ATOM 700 NE ARG A 49 -12.223 -7.519 14.077 1.00 0.00 N ATOM 701 CZ ARG A 49 -11.355 -6.985 14.929 1.00 0.00 C ATOM 702 NH1 ARG A 49 -10.136 -6.658 14.521 1.00 0.00 N ATOM 703 NH2 ARG A 49 -11.705 -6.777 16.192 1.00 0.00 N ATOM 0 H ARG A 49 -14.351 -8.568 9.358 1.00 0.00 H new ATOM 0 HA ARG A 49 -15.773 -8.313 11.599 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -13.452 -6.669 10.555 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -14.093 -6.395 12.163 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -13.739 -8.917 12.569 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.808 -8.919 11.084 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.116 -8.514 12.606 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.557 -6.867 12.204 1.00 0.00 H new ATOM 0 HE ARG A 49 -13.152 -7.759 14.423 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.863 -6.816 13.551 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.471 -6.248 15.177 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -12.641 -7.027 16.510 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -11.038 -6.367 16.845 1.00 0.00 H new ATOM 717 N ASN A 50 -16.057 -5.467 9.928 1.00 0.00 N ATOM 718 CA ASN A 50 -16.878 -4.269 9.788 1.00 0.00 C ATOM 719 C ASN A 50 -18.138 -4.564 8.981 1.00 0.00 C ATOM 720 O ASN A 50 -18.131 -5.408 8.085 1.00 0.00 O ATOM 721 CB ASN A 50 -16.077 -3.153 9.115 1.00 0.00 C ATOM 722 CG ASN A 50 -14.991 -2.596 10.015 1.00 0.00 C ATOM 723 OD1 ASN A 50 -15.224 -1.660 10.780 1.00 0.00 O ATOM 724 ND2 ASN A 50 -13.797 -3.170 9.927 1.00 0.00 N ATOM 0 H ASN A 50 -15.296 -5.538 9.252 1.00 0.00 H new ATOM 0 HA ASN A 50 -17.175 -3.944 10.785 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -15.626 -3.535 8.199 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -16.753 -2.348 8.825 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -13.027 -2.838 10.508 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -13.649 -3.943 9.279 1.00 0.00 H new ATOM 731 N SER A 51 -19.220 -3.863 9.306 1.00 0.00 N ATOM 732 CA SER A 51 -20.489 -4.052 8.614 1.00 0.00 C ATOM 733 C SER A 51 -20.859 -2.810 7.808 1.00 0.00 C ATOM 734 O SER A 51 -21.103 -2.886 6.605 1.00 0.00 O ATOM 735 CB SER A 51 -21.599 -4.372 9.617 1.00 0.00 C ATOM 736 OG SER A 51 -21.320 -5.570 10.321 1.00 0.00 O ATOM 0 H SER A 51 -19.243 -3.159 10.044 1.00 0.00 H new ATOM 0 HA SER A 51 -20.378 -4.890 7.926 1.00 0.00 H new ATOM 0 HB2 SER A 51 -21.705 -3.548 10.323 1.00 0.00 H new ATOM 0 HB3 SER A 51 -22.550 -4.467 9.093 1.00 0.00 H new ATOM 0 HG SER A 51 -22.043 -5.752 10.957 1.00 0.00 H new ATOM 742 N GLY A 52 -20.898 -1.664 8.483 1.00 0.00 N ATOM 743 CA GLY A 52 -21.239 -0.422 7.816 1.00 0.00 C ATOM 744 C GLY A 52 -20.444 0.756 8.344 1.00 0.00 C ATOM 745 O GLY A 52 -20.972 1.590 9.079 1.00 0.00 O ATOM 0 H GLY A 52 -20.699 -1.575 9.479 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -21.060 -0.527 6.746 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -22.303 -0.225 7.944 1.00 0.00 H new ATOM 749 N SER A 53 -19.171 0.825 7.969 1.00 0.00 N ATOM 750 CA SER A 53 -18.300 1.907 8.414 1.00 0.00 C ATOM 751 C SER A 53 -17.560 2.529 7.234 1.00 0.00 C ATOM 752 O SER A 53 -16.698 1.897 6.625 1.00 0.00 O ATOM 753 CB SER A 53 -17.295 1.389 9.445 1.00 0.00 C ATOM 754 OG SER A 53 -16.838 2.437 10.283 1.00 0.00 O ATOM 0 H SER A 53 -18.719 0.144 7.358 1.00 0.00 H new ATOM 0 HA SER A 53 -18.921 2.674 8.876 1.00 0.00 H new ATOM 0 HB2 SER A 53 -17.759 0.611 10.051 1.00 0.00 H new ATOM 0 HB3 SER A 53 -16.448 0.932 8.934 1.00 0.00 H new ATOM 0 HG SER A 53 -16.198 2.080 10.934 1.00 0.00 H new ATOM 760 N ALA A 54 -17.905 3.773 6.917 1.00 0.00 N ATOM 761 CA ALA A 54 -17.274 4.483 5.812 1.00 0.00 C ATOM 762 C ALA A 54 -15.784 4.683 6.068 1.00 0.00 C ATOM 763 O ALA A 54 -14.947 4.276 5.263 1.00 0.00 O ATOM 764 CB ALA A 54 -17.957 5.823 5.586 1.00 0.00 C ATOM 0 H ALA A 54 -18.618 4.310 7.410 1.00 0.00 H new ATOM 0 HA ALA A 54 -17.384 3.876 4.913 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -17.475 6.342 4.758 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -19.008 5.660 5.349 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -17.878 6.429 6.489 1.00 0.00 H new ATOM 770 N GLU A 55 -15.460 5.313 7.193 1.00 0.00 N ATOM 771 CA GLU A 55 -14.070 5.568 7.553 1.00 0.00 C ATOM 772 C GLU A 55 -13.190 4.371 7.203 1.00 0.00 C ATOM 773 O GLU A 55 -12.128 4.524 6.599 1.00 0.00 O ATOM 774 CB GLU A 55 -13.956 5.880 9.046 1.00 0.00 C ATOM 775 CG GLU A 55 -14.551 7.223 9.434 1.00 0.00 C ATOM 776 CD GLU A 55 -14.420 7.512 10.917 1.00 0.00 C ATOM 777 OE1 GLU A 55 -14.915 6.699 11.725 1.00 0.00 O ATOM 778 OE2 GLU A 55 -13.824 8.551 11.269 1.00 0.00 O ATOM 0 H GLU A 55 -16.141 5.656 7.871 1.00 0.00 H new ATOM 0 HA GLU A 55 -13.725 6.430 6.982 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -14.455 5.094 9.612 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -12.905 5.861 9.333 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -14.056 8.013 8.869 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -15.605 7.244 9.155 1.00 0.00 H new ATOM 785 N ALA A 56 -13.639 3.181 7.588 1.00 0.00 N ATOM 786 CA ALA A 56 -12.893 1.959 7.314 1.00 0.00 C ATOM 787 C ALA A 56 -12.807 1.692 5.816 1.00 0.00 C ATOM 788 O ALA A 56 -11.761 1.293 5.306 1.00 0.00 O ATOM 789 CB ALA A 56 -13.537 0.778 8.027 1.00 0.00 C ATOM 0 H ALA A 56 -14.515 3.037 8.090 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.879 2.089 7.691 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -12.970 -0.128 7.814 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -13.541 0.960 9.102 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.562 0.656 7.676 1.00 0.00 H new ATOM 795 N ALA A 57 -13.915 1.913 5.115 1.00 0.00 N ATOM 796 CA ALA A 57 -13.964 1.698 3.675 1.00 0.00 C ATOM 797 C ALA A 57 -12.942 2.571 2.954 1.00 0.00 C ATOM 798 O ALA A 57 -12.063 2.065 2.257 1.00 0.00 O ATOM 799 CB ALA A 57 -15.364 1.975 3.147 1.00 0.00 C ATOM 0 H ALA A 57 -14.791 2.241 5.522 1.00 0.00 H new ATOM 0 HA ALA A 57 -13.714 0.655 3.480 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.386 1.810 2.070 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -16.075 1.305 3.631 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.636 3.008 3.362 1.00 0.00 H new ATOM 805 N GLU A 58 -13.065 3.883 3.126 1.00 0.00 N ATOM 806 CA GLU A 58 -12.152 4.825 2.490 1.00 0.00 C ATOM 807 C GLU A 58 -10.702 4.492 2.831 1.00 0.00 C ATOM 808 O GLU A 58 -9.797 4.715 2.027 1.00 0.00 O ATOM 809 CB GLU A 58 -12.474 6.256 2.926 1.00 0.00 C ATOM 810 CG GLU A 58 -12.416 6.461 4.431 1.00 0.00 C ATOM 811 CD GLU A 58 -12.703 7.894 4.835 1.00 0.00 C ATOM 812 OE1 GLU A 58 -13.848 8.350 4.631 1.00 0.00 O ATOM 813 OE2 GLU A 58 -11.783 8.560 5.355 1.00 0.00 O ATOM 0 H GLU A 58 -13.787 4.318 3.700 1.00 0.00 H new ATOM 0 HA GLU A 58 -12.281 4.744 1.411 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -11.773 6.939 2.447 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -13.470 6.520 2.570 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -13.137 5.800 4.912 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.429 6.175 4.795 1.00 0.00 H new ATOM 820 N ARG A 59 -10.490 3.959 4.030 1.00 0.00 N ATOM 821 CA ARG A 59 -9.151 3.597 4.479 1.00 0.00 C ATOM 822 C ARG A 59 -8.647 2.359 3.744 1.00 0.00 C ATOM 823 O ARG A 59 -7.740 2.441 2.916 1.00 0.00 O ATOM 824 CB ARG A 59 -9.147 3.345 5.988 1.00 0.00 C ATOM 825 CG ARG A 59 -7.811 3.638 6.651 1.00 0.00 C ATOM 826 CD ARG A 59 -7.715 5.088 7.097 1.00 0.00 C ATOM 827 NE ARG A 59 -7.355 5.977 5.995 1.00 0.00 N ATOM 828 CZ ARG A 59 -7.298 7.299 6.106 1.00 0.00 C ATOM 829 NH1 ARG A 59 -7.576 7.883 7.264 1.00 0.00 N ATOM 830 NH2 ARG A 59 -6.961 8.040 5.059 1.00 0.00 N ATOM 0 H ARG A 59 -11.228 3.768 4.708 1.00 0.00 H new ATOM 0 HA ARG A 59 -8.483 4.428 4.255 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -9.917 3.961 6.453 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -9.415 2.305 6.175 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -7.680 2.982 7.512 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -7.002 3.416 5.955 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -8.670 5.402 7.519 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -6.973 5.175 7.890 1.00 0.00 H new ATOM 0 HE ARG A 59 -7.135 5.559 5.091 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -7.834 7.316 8.072 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.531 8.899 7.347 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -6.745 7.595 4.167 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -6.918 9.055 5.146 1.00 0.00 H new ATOM 844 N PHE A 60 -9.241 1.211 4.053 1.00 0.00 N ATOM 845 CA PHE A 60 -8.852 -0.045 3.424 1.00 0.00 C ATOM 846 C PHE A 60 -8.510 0.167 1.952 1.00 0.00 C ATOM 847 O PHE A 60 -7.622 -0.490 1.407 1.00 0.00 O ATOM 848 CB PHE A 60 -9.976 -1.076 3.555 1.00 0.00 C ATOM 849 CG PHE A 60 -9.504 -2.496 3.432 1.00 0.00 C ATOM 850 CD1 PHE A 60 -8.616 -3.027 4.354 1.00 0.00 C ATOM 851 CD2 PHE A 60 -9.948 -3.300 2.395 1.00 0.00 C ATOM 852 CE1 PHE A 60 -8.181 -4.334 4.244 1.00 0.00 C ATOM 853 CE2 PHE A 60 -9.515 -4.608 2.280 1.00 0.00 C ATOM 854 CZ PHE A 60 -8.630 -5.125 3.205 1.00 0.00 C ATOM 0 H PHE A 60 -9.994 1.125 4.736 1.00 0.00 H new ATOM 0 HA PHE A 60 -7.965 -0.419 3.935 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -10.466 -0.947 4.520 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.726 -0.883 2.788 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -8.260 -2.412 5.168 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -10.640 -2.901 1.668 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -7.490 -4.737 4.970 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -9.869 -5.225 1.467 1.00 0.00 H new ATOM 0 HZ PHE A 60 -8.290 -6.146 3.116 1.00 0.00 H new ATOM 864 N THR A 61 -9.223 1.089 1.312 1.00 0.00 N ATOM 865 CA THR A 61 -8.997 1.388 -0.096 1.00 0.00 C ATOM 866 C THR A 61 -7.662 2.094 -0.302 1.00 0.00 C ATOM 867 O THR A 61 -6.854 1.683 -1.135 1.00 0.00 O ATOM 868 CB THR A 61 -10.124 2.267 -0.671 1.00 0.00 C ATOM 869 OG1 THR A 61 -11.350 1.529 -0.711 1.00 0.00 O ATOM 870 CG2 THR A 61 -9.772 2.751 -2.070 1.00 0.00 C ATOM 0 H THR A 61 -9.962 1.641 1.747 1.00 0.00 H new ATOM 0 HA THR A 61 -8.985 0.434 -0.623 1.00 0.00 H new ATOM 0 HB THR A 61 -10.244 3.135 -0.022 1.00 0.00 H new ATOM 0 HG1 THR A 61 -11.778 1.558 0.170 1.00 0.00 H new ATOM 0 HG21 THR A 61 -10.582 3.370 -2.456 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.854 3.338 -2.032 1.00 0.00 H new ATOM 0 HG23 THR A 61 -9.627 1.893 -2.726 1.00 0.00 H new ATOM 878 N ARG A 62 -7.436 3.157 0.463 1.00 0.00 N ATOM 879 CA ARG A 62 -6.198 3.920 0.364 1.00 0.00 C ATOM 880 C ARG A 62 -4.996 3.059 0.742 1.00 0.00 C ATOM 881 O ARG A 62 -4.061 2.903 -0.043 1.00 0.00 O ATOM 882 CB ARG A 62 -6.260 5.153 1.267 1.00 0.00 C ATOM 883 CG ARG A 62 -6.846 6.379 0.586 1.00 0.00 C ATOM 884 CD ARG A 62 -6.265 7.664 1.155 1.00 0.00 C ATOM 885 NE ARG A 62 -7.033 8.838 0.749 1.00 0.00 N ATOM 886 CZ ARG A 62 -6.662 10.086 1.013 1.00 0.00 C ATOM 887 NH1 ARG A 62 -5.539 10.321 1.678 1.00 0.00 N ATOM 888 NH2 ARG A 62 -7.414 11.103 0.611 1.00 0.00 N ATOM 0 H ARG A 62 -8.094 3.509 1.158 1.00 0.00 H new ATOM 0 HA ARG A 62 -6.081 4.242 -0.671 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.857 4.918 2.148 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.255 5.388 1.616 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.647 6.332 -0.485 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -7.929 6.382 0.709 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.245 7.602 2.243 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -5.233 7.773 0.823 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.902 8.692 0.235 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.958 9.542 1.988 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.257 11.280 1.879 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -8.278 10.927 0.099 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -7.128 12.061 0.815 1.00 0.00 H new ATOM 902 N ILE A 63 -5.030 2.504 1.949 1.00 0.00 N ATOM 903 CA ILE A 63 -3.945 1.659 2.430 1.00 0.00 C ATOM 904 C ILE A 63 -3.378 0.797 1.307 1.00 0.00 C ATOM 905 O ILE A 63 -2.164 0.722 1.119 1.00 0.00 O ATOM 906 CB ILE A 63 -4.410 0.744 3.578 1.00 0.00 C ATOM 907 CG1 ILE A 63 -4.884 1.582 4.768 1.00 0.00 C ATOM 908 CG2 ILE A 63 -3.288 -0.194 3.997 1.00 0.00 C ATOM 909 CD1 ILE A 63 -5.746 0.813 5.744 1.00 0.00 C ATOM 0 H ILE A 63 -5.797 2.624 2.611 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.167 2.327 2.800 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.247 0.142 3.225 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.014 1.974 5.295 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -5.446 2.439 4.397 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.633 -0.834 4.809 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.994 -0.812 3.148 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.432 0.390 4.334 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.045 1.470 6.561 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -6.634 0.443 5.232 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.181 -0.029 6.144 1.00 0.00 H new ATOM 921 N SER A 64 -4.267 0.150 0.560 1.00 0.00 N ATOM 922 CA SER A 64 -3.856 -0.709 -0.546 1.00 0.00 C ATOM 923 C SER A 64 -2.956 0.049 -1.516 1.00 0.00 C ATOM 924 O SER A 64 -1.899 -0.442 -1.911 1.00 0.00 O ATOM 925 CB SER A 64 -5.083 -1.247 -1.284 1.00 0.00 C ATOM 926 OG SER A 64 -5.524 -2.469 -0.718 1.00 0.00 O ATOM 0 H SER A 64 -5.276 0.204 0.700 1.00 0.00 H new ATOM 0 HA SER A 64 -3.293 -1.546 -0.134 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.887 -0.512 -1.242 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.842 -1.396 -2.336 1.00 0.00 H new ATOM 0 HG SER A 64 -6.310 -2.791 -1.207 1.00 0.00 H new ATOM 932 N GLN A 65 -3.384 1.249 -1.897 1.00 0.00 N ATOM 933 CA GLN A 65 -2.618 2.075 -2.822 1.00 0.00 C ATOM 934 C GLN A 65 -1.156 2.157 -2.396 1.00 0.00 C ATOM 935 O GLN A 65 -0.251 2.045 -3.222 1.00 0.00 O ATOM 936 CB GLN A 65 -3.217 3.480 -2.901 1.00 0.00 C ATOM 937 CG GLN A 65 -4.733 3.489 -3.015 1.00 0.00 C ATOM 938 CD GLN A 65 -5.242 2.571 -4.108 1.00 0.00 C ATOM 939 OE1 GLN A 65 -4.668 2.504 -5.196 1.00 0.00 O ATOM 940 NE2 GLN A 65 -6.324 1.855 -3.825 1.00 0.00 N ATOM 0 H GLN A 65 -4.257 1.670 -1.579 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.665 1.611 -3.807 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.924 4.041 -2.014 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -2.793 3.999 -3.761 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.167 3.188 -2.062 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.073 4.506 -3.213 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.768 1.941 -2.911 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.711 1.219 -4.522 1.00 0.00 H new ATOM 949 N ALA A 66 -0.932 2.353 -1.100 1.00 0.00 N ATOM 950 CA ALA A 66 0.420 2.448 -0.564 1.00 0.00 C ATOM 951 C ALA A 66 1.177 1.137 -0.749 1.00 0.00 C ATOM 952 O ALA A 66 2.394 1.133 -0.940 1.00 0.00 O ATOM 953 CB ALA A 66 0.379 2.832 0.907 1.00 0.00 C ATOM 0 H ALA A 66 -1.670 2.449 -0.402 1.00 0.00 H new ATOM 0 HA ALA A 66 0.949 3.225 -1.116 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.396 2.899 1.294 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.116 3.797 1.017 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.172 2.075 1.465 1.00 0.00 H new ATOM 959 N TYR A 67 0.451 0.027 -0.691 1.00 0.00 N ATOM 960 CA TYR A 67 1.055 -1.291 -0.849 1.00 0.00 C ATOM 961 C TYR A 67 1.295 -1.607 -2.322 1.00 0.00 C ATOM 962 O TYR A 67 1.735 -2.703 -2.671 1.00 0.00 O ATOM 963 CB TYR A 67 0.161 -2.364 -0.225 1.00 0.00 C ATOM 964 CG TYR A 67 0.787 -3.740 -0.209 1.00 0.00 C ATOM 965 CD1 TYR A 67 2.126 -3.911 0.120 1.00 0.00 C ATOM 966 CD2 TYR A 67 0.040 -4.868 -0.524 1.00 0.00 C ATOM 967 CE1 TYR A 67 2.702 -5.167 0.136 1.00 0.00 C ATOM 968 CE2 TYR A 67 0.608 -6.128 -0.509 1.00 0.00 C ATOM 969 CZ TYR A 67 1.939 -6.271 -0.179 1.00 0.00 C ATOM 970 OH TYR A 67 2.509 -7.524 -0.165 1.00 0.00 O ATOM 0 H TYR A 67 -0.557 0.013 -0.536 1.00 0.00 H new ATOM 0 HA TYR A 67 2.016 -1.285 -0.335 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.082 -2.073 0.797 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.778 -2.408 -0.776 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.727 -3.048 0.367 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.002 -4.759 -0.785 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.744 -5.283 0.394 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.013 -6.995 -0.754 1.00 0.00 H new ATOM 0 HH TYR A 67 1.835 -8.193 -0.409 1.00 0.00 H new ATOM 980 N VAL A 68 1.004 -0.637 -3.184 1.00 0.00 N ATOM 981 CA VAL A 68 1.190 -0.810 -4.620 1.00 0.00 C ATOM 982 C VAL A 68 2.399 -0.024 -5.116 1.00 0.00 C ATOM 983 O VAL A 68 3.416 -0.604 -5.495 1.00 0.00 O ATOM 984 CB VAL A 68 -0.057 -0.361 -5.405 1.00 0.00 C ATOM 985 CG1 VAL A 68 0.064 -0.752 -6.870 1.00 0.00 C ATOM 986 CG2 VAL A 68 -1.316 -0.953 -4.788 1.00 0.00 C ATOM 0 H VAL A 68 0.639 0.276 -2.913 1.00 0.00 H new ATOM 0 HA VAL A 68 1.356 -1.873 -4.792 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.129 0.725 -5.349 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.826 -0.426 -7.408 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.944 -0.276 -7.302 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.161 -1.835 -6.951 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.188 -0.626 -5.355 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.256 -2.041 -4.811 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.408 -0.617 -3.755 1.00 0.00 H new ATOM 996 N VAL A 69 2.280 1.300 -5.111 1.00 0.00 N ATOM 997 CA VAL A 69 3.364 2.166 -5.559 1.00 0.00 C ATOM 998 C VAL A 69 4.682 1.787 -4.892 1.00 0.00 C ATOM 999 O VAL A 69 5.710 1.653 -5.557 1.00 0.00 O ATOM 1000 CB VAL A 69 3.059 3.646 -5.262 1.00 0.00 C ATOM 1001 CG1 VAL A 69 4.170 4.538 -5.795 1.00 0.00 C ATOM 1002 CG2 VAL A 69 1.715 4.042 -5.855 1.00 0.00 C ATOM 0 H VAL A 69 1.444 1.796 -4.802 1.00 0.00 H new ATOM 0 HA VAL A 69 3.453 2.030 -6.637 1.00 0.00 H new ATOM 0 HB VAL A 69 3.007 3.778 -4.181 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.937 5.580 -5.576 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.113 4.269 -5.318 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.258 4.405 -6.873 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.515 5.091 -5.636 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.736 3.895 -6.935 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.929 3.424 -5.420 1.00 0.00 H new ATOM 1012 N LEU A 70 4.644 1.614 -3.576 1.00 0.00 N ATOM 1013 CA LEU A 70 5.836 1.249 -2.818 1.00 0.00 C ATOM 1014 C LEU A 70 6.035 -0.264 -2.810 1.00 0.00 C ATOM 1015 O LEU A 70 7.142 -0.754 -2.593 1.00 0.00 O ATOM 1016 CB LEU A 70 5.731 1.768 -1.383 1.00 0.00 C ATOM 1017 CG LEU A 70 5.088 3.145 -1.213 1.00 0.00 C ATOM 1018 CD1 LEU A 70 4.576 3.324 0.208 1.00 0.00 C ATOM 1019 CD2 LEU A 70 6.080 4.244 -1.566 1.00 0.00 C ATOM 0 H LEU A 70 3.801 1.720 -3.011 1.00 0.00 H new ATOM 0 HA LEU A 70 6.698 1.708 -3.302 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.159 1.047 -0.798 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.733 1.802 -0.956 1.00 0.00 H new ATOM 0 HG LEU A 70 4.240 3.215 -1.894 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.122 4.310 0.310 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.832 2.558 0.426 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.406 3.233 0.908 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.605 5.217 -1.439 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.948 4.175 -0.910 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.398 4.128 -2.602 1.00 0.00 H new ATOM 1031 N GLY A 71 4.953 -0.999 -3.051 1.00 0.00 N ATOM 1032 CA GLY A 71 5.030 -2.448 -3.069 1.00 0.00 C ATOM 1033 C GLY A 71 6.317 -2.952 -3.691 1.00 0.00 C ATOM 1034 O GLY A 71 6.923 -3.902 -3.195 1.00 0.00 O ATOM 0 H GLY A 71 4.025 -0.617 -3.234 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.950 -2.826 -2.050 1.00 0.00 H new ATOM 0 HA3 GLY A 71 4.181 -2.847 -3.624 1.00 0.00 H new ATOM 1038 N SER A 72 6.734 -2.317 -4.782 1.00 0.00 N ATOM 1039 CA SER A 72 7.954 -2.711 -5.476 1.00 0.00 C ATOM 1040 C SER A 72 9.040 -1.653 -5.308 1.00 0.00 C ATOM 1041 O SER A 72 8.766 -0.526 -4.894 1.00 0.00 O ATOM 1042 CB SER A 72 7.671 -2.935 -6.962 1.00 0.00 C ATOM 1043 OG SER A 72 7.103 -4.214 -7.186 1.00 0.00 O ATOM 0 H SER A 72 6.245 -1.528 -5.204 1.00 0.00 H new ATOM 0 HA SER A 72 8.308 -3.643 -5.036 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.993 -2.164 -7.327 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.596 -2.840 -7.530 1.00 0.00 H new ATOM 0 HG SER A 72 6.930 -4.332 -8.143 1.00 0.00 H new ATOM 1049 N ALA A 73 10.275 -2.024 -5.632 1.00 0.00 N ATOM 1050 CA ALA A 73 11.402 -1.107 -5.519 1.00 0.00 C ATOM 1051 C ALA A 73 11.439 -0.135 -6.693 1.00 0.00 C ATOM 1052 O ALA A 73 11.530 1.079 -6.506 1.00 0.00 O ATOM 1053 CB ALA A 73 12.708 -1.885 -5.433 1.00 0.00 C ATOM 0 H ALA A 73 10.520 -2.953 -5.975 1.00 0.00 H new ATOM 0 HA ALA A 73 11.276 -0.526 -4.605 1.00 0.00 H new ATOM 0 HB1 ALA A 73 13.542 -1.188 -5.349 1.00 0.00 H new ATOM 0 HB2 ALA A 73 12.688 -2.534 -4.558 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.830 -2.491 -6.331 1.00 0.00 H new ATOM 1059 N THR A 74 11.369 -0.676 -7.906 1.00 0.00 N ATOM 1060 CA THR A 74 11.397 0.143 -9.111 1.00 0.00 C ATOM 1061 C THR A 74 10.395 1.289 -9.020 1.00 0.00 C ATOM 1062 O THR A 74 10.761 2.458 -9.144 1.00 0.00 O ATOM 1063 CB THR A 74 11.089 -0.694 -10.366 1.00 0.00 C ATOM 1064 OG1 THR A 74 12.120 -1.666 -10.572 1.00 0.00 O ATOM 1065 CG2 THR A 74 10.972 0.196 -11.595 1.00 0.00 C ATOM 0 H THR A 74 11.292 -1.678 -8.079 1.00 0.00 H new ATOM 0 HA THR A 74 12.405 0.550 -9.193 1.00 0.00 H new ATOM 0 HB THR A 74 10.137 -1.202 -10.212 1.00 0.00 H new ATOM 0 HG1 THR A 74 11.916 -2.195 -11.371 1.00 0.00 H new ATOM 0 HG21 THR A 74 10.754 -0.418 -12.469 1.00 0.00 H new ATOM 0 HG22 THR A 74 10.167 0.916 -11.447 1.00 0.00 H new ATOM 0 HG23 THR A 74 11.911 0.728 -11.750 1.00 0.00 H new ATOM 1073 N LEU A 75 9.130 0.946 -8.801 1.00 0.00 N ATOM 1074 CA LEU A 75 8.075 1.947 -8.692 1.00 0.00 C ATOM 1075 C LEU A 75 8.515 3.109 -7.807 1.00 0.00 C ATOM 1076 O LEU A 75 8.594 4.251 -8.260 1.00 0.00 O ATOM 1077 CB LEU A 75 6.802 1.315 -8.127 1.00 0.00 C ATOM 1078 CG LEU A 75 6.160 0.220 -8.981 1.00 0.00 C ATOM 1079 CD1 LEU A 75 4.961 -0.381 -8.264 1.00 0.00 C ATOM 1080 CD2 LEU A 75 5.751 0.773 -10.338 1.00 0.00 C ATOM 0 H LEU A 75 8.811 -0.017 -8.696 1.00 0.00 H new ATOM 0 HA LEU A 75 7.870 2.333 -9.691 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.032 0.896 -7.147 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.067 2.104 -7.971 1.00 0.00 H new ATOM 0 HG LEU A 75 6.895 -0.569 -9.140 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.517 -1.158 -8.886 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.283 -0.814 -7.317 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.223 0.398 -8.074 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.296 -0.020 -10.932 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.032 1.581 -10.200 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.631 1.155 -10.856 1.00 0.00 H new ATOM 1092 N ARG A 76 8.803 2.809 -6.545 1.00 0.00 N ATOM 1093 CA ARG A 76 9.236 3.828 -5.597 1.00 0.00 C ATOM 1094 C ARG A 76 10.095 4.883 -6.288 1.00 0.00 C ATOM 1095 O ARG A 76 9.842 6.081 -6.166 1.00 0.00 O ATOM 1096 CB ARG A 76 10.021 3.187 -4.450 1.00 0.00 C ATOM 1097 CG ARG A 76 9.143 2.704 -3.308 1.00 0.00 C ATOM 1098 CD ARG A 76 9.909 2.664 -1.995 1.00 0.00 C ATOM 1099 NE ARG A 76 10.926 1.616 -1.987 1.00 0.00 N ATOM 1100 CZ ARG A 76 11.671 1.324 -0.927 1.00 0.00 C ATOM 1101 NH1 ARG A 76 11.513 1.996 0.205 1.00 0.00 N ATOM 1102 NH2 ARG A 76 12.577 0.356 -0.997 1.00 0.00 N ATOM 0 H ARG A 76 8.744 1.868 -6.155 1.00 0.00 H new ATOM 0 HA ARG A 76 8.348 4.314 -5.193 1.00 0.00 H new ATOM 0 HB2 ARG A 76 10.593 2.345 -4.839 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.740 3.910 -4.064 1.00 0.00 H new ATOM 0 HG2 ARG A 76 8.280 3.363 -3.207 1.00 0.00 H new ATOM 0 HG3 ARG A 76 8.760 1.710 -3.537 1.00 0.00 H new ATOM 0 HD2 ARG A 76 10.383 3.630 -1.822 1.00 0.00 H new ATOM 0 HD3 ARG A 76 9.212 2.499 -1.173 1.00 0.00 H new ATOM 0 HE ARG A 76 11.072 1.079 -2.842 1.00 0.00 H new ATOM 0 HH11 ARG A 76 10.818 2.740 0.264 1.00 0.00 H new ATOM 0 HH12 ARG A 76 12.087 1.769 1.017 1.00 0.00 H new ATOM 0 HH21 ARG A 76 12.701 -0.164 -1.865 1.00 0.00 H new ATOM 0 HH22 ARG A 76 13.149 0.133 -0.182 1.00 0.00 H new ATOM 1116 N ARG A 77 11.113 4.428 -7.013 1.00 0.00 N ATOM 1117 CA ARG A 77 12.010 5.333 -7.722 1.00 0.00 C ATOM 1118 C ARG A 77 11.239 6.195 -8.717 1.00 0.00 C ATOM 1119 O ARG A 77 11.397 7.415 -8.751 1.00 0.00 O ATOM 1120 CB ARG A 77 13.096 4.540 -8.451 1.00 0.00 C ATOM 1121 CG ARG A 77 13.940 3.673 -7.531 1.00 0.00 C ATOM 1122 CD ARG A 77 14.591 2.526 -8.288 1.00 0.00 C ATOM 1123 NE ARG A 77 15.860 2.921 -8.893 1.00 0.00 N ATOM 1124 CZ ARG A 77 16.705 2.063 -9.455 1.00 0.00 C ATOM 1125 NH1 ARG A 77 16.417 0.770 -9.488 1.00 0.00 N ATOM 1126 NH2 ARG A 77 17.841 2.499 -9.985 1.00 0.00 N ATOM 0 H ARG A 77 11.337 3.439 -7.124 1.00 0.00 H new ATOM 0 HA ARG A 77 12.479 5.989 -6.988 1.00 0.00 H new ATOM 0 HB2 ARG A 77 12.627 3.906 -9.204 1.00 0.00 H new ATOM 0 HB3 ARG A 77 13.748 5.235 -8.980 1.00 0.00 H new ATOM 0 HG2 ARG A 77 14.711 4.283 -7.060 1.00 0.00 H new ATOM 0 HG3 ARG A 77 13.316 3.275 -6.731 1.00 0.00 H new ATOM 0 HD2 ARG A 77 14.758 1.691 -7.608 1.00 0.00 H new ATOM 0 HD3 ARG A 77 13.913 2.173 -9.065 1.00 0.00 H new ATOM 0 HE ARG A 77 16.112 3.909 -8.884 1.00 0.00 H new ATOM 0 HH11 ARG A 77 15.545 0.431 -9.081 1.00 0.00 H new ATOM 0 HH12 ARG A 77 17.067 0.114 -9.920 1.00 0.00 H new ATOM 0 HH21 ARG A 77 18.066 3.494 -9.961 1.00 0.00 H new ATOM 0 HH22 ARG A 77 18.489 1.840 -10.416 1.00 0.00 H new ATOM 1140 N LYS A 78 10.404 5.551 -9.526 1.00 0.00 N ATOM 1141 CA LYS A 78 9.607 6.257 -10.522 1.00 0.00 C ATOM 1142 C LYS A 78 8.988 7.519 -9.929 1.00 0.00 C ATOM 1143 O LYS A 78 9.282 8.631 -10.367 1.00 0.00 O ATOM 1144 CB LYS A 78 8.506 5.343 -11.066 1.00 0.00 C ATOM 1145 CG LYS A 78 9.020 4.005 -11.566 1.00 0.00 C ATOM 1146 CD LYS A 78 7.906 3.175 -12.183 1.00 0.00 C ATOM 1147 CE LYS A 78 7.746 3.472 -13.666 1.00 0.00 C ATOM 1148 NZ LYS A 78 6.446 2.973 -14.194 1.00 0.00 N ATOM 0 H LYS A 78 10.262 4.541 -9.511 1.00 0.00 H new ATOM 0 HA LYS A 78 10.267 6.547 -11.340 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.769 5.170 -10.282 1.00 0.00 H new ATOM 0 HB3 LYS A 78 7.991 5.853 -11.881 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.805 4.169 -12.304 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.470 3.455 -10.739 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.121 2.115 -12.044 1.00 0.00 H new ATOM 0 HD3 LYS A 78 6.969 3.381 -11.666 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.816 4.547 -13.831 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.564 3.011 -14.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.375 3.195 -15.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.389 1.943 -14.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 5.665 3.432 -13.684 1.00 0.00 H new ATOM 1162 N TYR A 79 8.131 7.338 -8.930 1.00 0.00 N ATOM 1163 CA TYR A 79 7.470 8.462 -8.277 1.00 0.00 C ATOM 1164 C TYR A 79 8.485 9.518 -7.850 1.00 0.00 C ATOM 1165 O TYR A 79 8.228 10.718 -7.949 1.00 0.00 O ATOM 1166 CB TYR A 79 6.677 7.979 -7.062 1.00 0.00 C ATOM 1167 CG TYR A 79 5.664 8.983 -6.561 1.00 0.00 C ATOM 1168 CD1 TYR A 79 4.472 9.196 -7.242 1.00 0.00 C ATOM 1169 CD2 TYR A 79 5.900 9.721 -5.407 1.00 0.00 C ATOM 1170 CE1 TYR A 79 3.544 10.113 -6.789 1.00 0.00 C ATOM 1171 CE2 TYR A 79 4.977 10.639 -4.946 1.00 0.00 C ATOM 1172 CZ TYR A 79 3.800 10.832 -5.640 1.00 0.00 C ATOM 1173 OH TYR A 79 2.879 11.747 -5.184 1.00 0.00 O ATOM 0 H TYR A 79 7.878 6.424 -8.555 1.00 0.00 H new ATOM 0 HA TYR A 79 6.784 8.913 -8.994 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.162 7.054 -7.320 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.372 7.743 -6.256 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.267 8.635 -8.142 1.00 0.00 H new ATOM 0 HD2 TYR A 79 6.821 9.574 -4.862 1.00 0.00 H new ATOM 0 HE1 TYR A 79 2.623 10.266 -7.331 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.175 11.203 -4.047 1.00 0.00 H new ATOM 0 HH TYR A 79 3.213 12.166 -4.363 1.00 0.00 H new ATOM 1183 N ASP A 80 9.638 9.061 -7.375 1.00 0.00 N ATOM 1184 CA ASP A 80 10.694 9.965 -6.933 1.00 0.00 C ATOM 1185 C ASP A 80 11.112 10.905 -8.060 1.00 0.00 C ATOM 1186 O ASP A 80 11.539 12.033 -7.815 1.00 0.00 O ATOM 1187 CB ASP A 80 11.904 9.169 -6.442 1.00 0.00 C ATOM 1188 CG ASP A 80 12.707 9.920 -5.398 1.00 0.00 C ATOM 1189 OD1 ASP A 80 12.667 11.168 -5.404 1.00 0.00 O ATOM 1190 OD2 ASP A 80 13.375 9.260 -4.575 1.00 0.00 O ATOM 0 H ASP A 80 9.866 8.071 -7.286 1.00 0.00 H new ATOM 0 HA ASP A 80 10.304 10.564 -6.110 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.566 8.221 -6.023 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.547 8.932 -7.289 1.00 0.00 H new ATOM 1195 N ARG A 81 10.987 10.431 -9.295 1.00 0.00 N ATOM 1196 CA ARG A 81 11.354 11.227 -10.460 1.00 0.00 C ATOM 1197 C ARG A 81 10.116 11.627 -11.257 1.00 0.00 C ATOM 1198 O ARG A 81 10.215 12.308 -12.277 1.00 0.00 O ATOM 1199 CB ARG A 81 12.320 10.448 -11.354 1.00 0.00 C ATOM 1200 CG ARG A 81 13.260 9.535 -10.584 1.00 0.00 C ATOM 1201 CD ARG A 81 14.296 10.330 -9.805 1.00 0.00 C ATOM 1202 NE ARG A 81 15.491 9.540 -9.519 1.00 0.00 N ATOM 1203 CZ ARG A 81 16.615 10.057 -9.037 1.00 0.00 C ATOM 1204 NH1 ARG A 81 16.699 11.357 -8.788 1.00 0.00 N ATOM 1205 NH2 ARG A 81 17.660 9.274 -8.801 1.00 0.00 N ATOM 0 H ARG A 81 10.634 9.500 -9.515 1.00 0.00 H new ATOM 0 HA ARG A 81 11.847 12.133 -10.108 1.00 0.00 H new ATOM 0 HB2 ARG A 81 11.745 9.850 -12.062 1.00 0.00 H new ATOM 0 HB3 ARG A 81 12.910 11.154 -11.938 1.00 0.00 H new ATOM 0 HG2 ARG A 81 12.684 8.914 -9.897 1.00 0.00 H new ATOM 0 HG3 ARG A 81 13.763 8.861 -11.277 1.00 0.00 H new ATOM 0 HD2 ARG A 81 14.575 11.217 -10.374 1.00 0.00 H new ATOM 0 HD3 ARG A 81 13.858 10.677 -8.869 1.00 0.00 H new ATOM 0 HE ARG A 81 15.460 8.537 -9.699 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.898 11.963 -8.967 1.00 0.00 H new ATOM 0 HH12 ARG A 81 17.564 11.750 -8.418 1.00 0.00 H new ATOM 0 HH21 ARG A 81 17.601 8.273 -8.990 1.00 0.00 H new ATOM 0 HH22 ARG A 81 18.523 9.673 -8.431 1.00 0.00 H new ATOM 1219 N GLY A 82 8.950 11.196 -10.785 1.00 0.00 N ATOM 1220 CA GLY A 82 7.710 11.518 -11.467 1.00 0.00 C ATOM 1221 C GLY A 82 7.492 10.670 -12.704 1.00 0.00 C ATOM 1222 O GLY A 82 6.759 11.063 -13.614 1.00 0.00 O ATOM 0 H GLY A 82 8.842 10.630 -9.943 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.875 11.377 -10.781 1.00 0.00 H new ATOM 0 HA3 GLY A 82 7.717 12.571 -11.749 1.00 0.00 H new ATOM 1226 N LEU A 83 8.129 9.505 -12.742 1.00 0.00 N ATOM 1227 CA LEU A 83 8.002 8.600 -13.879 1.00 0.00 C ATOM 1228 C LEU A 83 6.762 7.723 -13.741 1.00 0.00 C ATOM 1229 O LEU A 83 6.283 7.149 -14.720 1.00 0.00 O ATOM 1230 CB LEU A 83 9.250 7.723 -13.998 1.00 0.00 C ATOM 1231 CG LEU A 83 10.576 8.463 -14.176 1.00 0.00 C ATOM 1232 CD1 LEU A 83 11.734 7.610 -13.680 1.00 0.00 C ATOM 1233 CD2 LEU A 83 10.781 8.849 -15.634 1.00 0.00 C ATOM 0 H LEU A 83 8.739 9.165 -11.998 1.00 0.00 H new ATOM 0 HA LEU A 83 7.900 9.202 -14.782 1.00 0.00 H new ATOM 0 HB2 LEU A 83 9.320 7.103 -13.104 1.00 0.00 H new ATOM 0 HB3 LEU A 83 9.117 7.049 -14.844 1.00 0.00 H new ATOM 0 HG LEU A 83 10.543 9.376 -13.581 1.00 0.00 H new ATOM 0 HD11 LEU A 83 12.670 8.153 -13.815 1.00 0.00 H new ATOM 0 HD12 LEU A 83 11.594 7.385 -12.623 1.00 0.00 H new ATOM 0 HD13 LEU A 83 11.770 6.680 -14.247 1.00 0.00 H new ATOM 0 HD21 LEU A 83 11.730 9.375 -15.741 1.00 0.00 H new ATOM 0 HD22 LEU A 83 10.793 7.950 -16.250 1.00 0.00 H new ATOM 0 HD23 LEU A 83 9.968 9.499 -15.956 1.00 0.00 H new ATOM 1245 N LEU A 84 6.244 7.627 -12.522 1.00 0.00 N ATOM 1246 CA LEU A 84 5.057 6.822 -12.256 1.00 0.00 C ATOM 1247 C LEU A 84 3.824 7.437 -12.912 1.00 0.00 C ATOM 1248 O LEU A 84 3.481 8.590 -12.652 1.00 0.00 O ATOM 1249 CB LEU A 84 4.834 6.689 -10.748 1.00 0.00 C ATOM 1250 CG LEU A 84 3.840 5.612 -10.310 1.00 0.00 C ATOM 1251 CD1 LEU A 84 4.546 4.277 -10.129 1.00 0.00 C ATOM 1252 CD2 LEU A 84 3.140 6.026 -9.024 1.00 0.00 C ATOM 0 H LEU A 84 6.627 8.097 -11.702 1.00 0.00 H new ATOM 0 HA LEU A 84 5.217 5.831 -12.682 1.00 0.00 H new ATOM 0 HB2 LEU A 84 5.794 6.483 -10.275 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.490 7.650 -10.365 1.00 0.00 H new ATOM 0 HG LEU A 84 3.087 5.499 -11.090 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.824 3.523 -9.817 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.001 3.975 -11.072 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.320 4.375 -9.368 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.436 5.249 -8.726 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.880 6.167 -8.236 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.602 6.960 -9.187 1.00 0.00 H new ATOM 1264 N SER A 85 3.161 6.658 -13.760 1.00 0.00 N ATOM 1265 CA SER A 85 1.967 7.126 -14.455 1.00 0.00 C ATOM 1266 C SER A 85 0.713 6.828 -13.639 1.00 0.00 C ATOM 1267 O SER A 85 0.676 5.873 -12.864 1.00 0.00 O ATOM 1268 CB SER A 85 1.862 6.469 -15.832 1.00 0.00 C ATOM 1269 OG SER A 85 1.018 7.217 -16.690 1.00 0.00 O ATOM 0 H SER A 85 3.430 5.700 -13.983 1.00 0.00 H new ATOM 0 HA SER A 85 2.049 8.205 -14.582 1.00 0.00 H new ATOM 0 HB2 SER A 85 2.854 6.385 -16.275 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.473 5.456 -15.727 1.00 0.00 H new ATOM 0 HG SER A 85 0.968 6.778 -17.565 1.00 0.00 H new ATOM 1275 N ASP A 86 -0.313 7.653 -13.820 1.00 0.00 N ATOM 1276 CA ASP A 86 -1.570 7.478 -13.103 1.00 0.00 C ATOM 1277 C ASP A 86 -2.046 6.031 -13.185 1.00 0.00 C ATOM 1278 O ASP A 86 -2.476 5.453 -12.188 1.00 0.00 O ATOM 1279 CB ASP A 86 -2.640 8.413 -13.671 1.00 0.00 C ATOM 1280 CG ASP A 86 -2.643 9.769 -12.991 1.00 0.00 C ATOM 1281 OD1 ASP A 86 -2.637 9.807 -11.743 1.00 0.00 O ATOM 1282 OD2 ASP A 86 -2.651 10.791 -13.708 1.00 0.00 O ATOM 0 H ASP A 86 -0.298 8.449 -14.457 1.00 0.00 H new ATOM 0 HA ASP A 86 -1.400 7.727 -12.055 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -2.472 8.546 -14.740 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -3.620 7.950 -13.557 1.00 0.00 H new ATOM 1287 N GLU A 87 -1.967 5.454 -14.380 1.00 0.00 N ATOM 1288 CA GLU A 87 -2.392 4.076 -14.592 1.00 0.00 C ATOM 1289 C GLU A 87 -1.752 3.145 -13.566 1.00 0.00 C ATOM 1290 O GLU A 87 -2.382 2.201 -13.089 1.00 0.00 O ATOM 1291 CB GLU A 87 -2.031 3.619 -16.006 1.00 0.00 C ATOM 1292 CG GLU A 87 -2.770 4.374 -17.098 1.00 0.00 C ATOM 1293 CD GLU A 87 -4.159 3.820 -17.352 1.00 0.00 C ATOM 1294 OE1 GLU A 87 -4.274 2.835 -18.111 1.00 0.00 O ATOM 1295 OE2 GLU A 87 -5.130 4.372 -16.793 1.00 0.00 O ATOM 0 H GLU A 87 -1.613 5.920 -15.216 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.474 4.034 -14.470 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.958 3.740 -16.155 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -2.248 2.555 -16.101 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -2.847 5.425 -16.820 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -2.191 4.330 -18.021 1.00 0.00 H new ATOM 1302 N ASP A 88 -0.496 3.419 -13.231 1.00 0.00 N ATOM 1303 CA ASP A 88 0.231 2.608 -12.261 1.00 0.00 C ATOM 1304 C ASP A 88 -0.461 2.636 -10.902 1.00 0.00 C ATOM 1305 O ASP A 88 -0.732 1.590 -10.310 1.00 0.00 O ATOM 1306 CB ASP A 88 1.670 3.106 -12.124 1.00 0.00 C ATOM 1307 CG ASP A 88 2.414 3.096 -13.445 1.00 0.00 C ATOM 1308 OD1 ASP A 88 2.813 2.000 -13.894 1.00 0.00 O ATOM 1309 OD2 ASP A 88 2.598 4.183 -14.031 1.00 0.00 O ATOM 0 H ASP A 88 0.040 4.196 -13.617 1.00 0.00 H new ATOM 0 HA ASP A 88 0.244 1.579 -12.622 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.664 4.119 -11.721 1.00 0.00 H new ATOM 0 HB3 ASP A 88 2.201 2.481 -11.406 1.00 0.00 H new ATOM 1314 N LEU A 89 -0.744 3.838 -10.412 1.00 0.00 N ATOM 1315 CA LEU A 89 -1.404 4.002 -9.122 1.00 0.00 C ATOM 1316 C LEU A 89 -2.551 3.008 -8.966 1.00 0.00 C ATOM 1317 O LEU A 89 -2.538 2.166 -8.068 1.00 0.00 O ATOM 1318 CB LEU A 89 -1.929 5.431 -8.974 1.00 0.00 C ATOM 1319 CG LEU A 89 -0.871 6.534 -8.933 1.00 0.00 C ATOM 1320 CD1 LEU A 89 -1.478 7.871 -9.330 1.00 0.00 C ATOM 1321 CD2 LEU A 89 -0.244 6.621 -7.549 1.00 0.00 C ATOM 0 H LEU A 89 -0.527 4.713 -10.889 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.671 3.808 -8.339 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.606 5.636 -9.803 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.519 5.487 -8.059 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.088 6.286 -9.650 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.710 8.644 -9.295 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.878 7.803 -10.341 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.281 8.126 -8.638 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.507 7.411 -7.539 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.016 6.844 -6.813 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.227 5.670 -7.303 1.00 0.00 H new