USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 439 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 481 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00172) USER MOD Single : A 485 CYS SG : rot 180:sc= 0 USER MOD Single : A 486 ASN : amide:sc= -0.141 K(o=-0.14,f=-3.8!) USER MOD Single : A 487 TYR OH : rot 180:sc= 0 USER MOD Single : A 490 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 493 ASN : amide:sc= 0.941 K(o=0.94,f=-0.17) USER MOD Single : A 494 SER OG : rot 180:sc= 0 USER MOD Single : A 495 SER OG : rot 180:sc= 0 USER MOD Single : A 498 SER OG : rot 39:sc= 0.0112 USER MOD Single : A 500 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 501 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 511 SER OG : rot -29:sc= 0.0544 USER MOD Single : A 513 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 523 GLN : amide:sc= 1.1 K(o=1.1,f=0) USER MOD Single : A 526 TYR OH : rot 180:sc= 0 USER MOD Single : A 529 TYR OH : rot 180:sc= 0 USER MOD Single : A 530 ASN : amide:sc= -0.111 K(o=-0.11,f=-2.1!) USER MOD Single : A 533 THR OG1 : rot 180:sc= -0.167 USER MOD ----------------------------------------------------------------- ATOM 74 N LYS A 481 14.786 2.395 7.862 1.00 0.00 N ATOM 75 CA LYS A 481 14.307 1.402 8.844 1.00 0.00 C ATOM 76 C LYS A 481 13.218 1.998 9.740 1.00 0.00 C ATOM 77 O LYS A 481 12.930 3.198 9.693 1.00 0.00 O ATOM 78 CB LYS A 481 15.489 0.893 9.710 1.00 0.00 C ATOM 79 CG LYS A 481 15.377 -0.605 10.075 1.00 0.00 C ATOM 80 CD LYS A 481 16.057 -1.538 9.055 1.00 0.00 C ATOM 81 CE LYS A 481 17.593 -1.459 9.062 1.00 0.00 C ATOM 82 NZ LYS A 481 18.190 -2.052 10.293 1.00 0.00 N ATOM 0 HA LYS A 481 13.878 0.563 8.297 1.00 0.00 H new ATOM 0 HB2 LYS A 481 16.423 1.060 9.173 1.00 0.00 H new ATOM 0 HB3 LYS A 481 15.539 1.481 10.627 1.00 0.00 H new ATOM 0 HG2 LYS A 481 15.823 -0.766 11.057 1.00 0.00 H new ATOM 0 HG3 LYS A 481 14.324 -0.874 10.155 1.00 0.00 H new ATOM 0 HD2 LYS A 481 15.755 -2.565 9.260 1.00 0.00 H new ATOM 0 HD3 LYS A 481 15.695 -1.293 8.056 1.00 0.00 H new ATOM 0 HE2 LYS A 481 17.984 -1.977 8.187 1.00 0.00 H new ATOM 0 HE3 LYS A 481 17.900 -0.417 8.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 19.227 -1.989 10.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 17.853 -1.531 11.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 17.907 -3.050 10.370 1.00 0.00 H new ATOM 96 N TRP A 482 12.638 1.143 10.574 1.00 0.00 N ATOM 97 CA TRP A 482 11.675 1.506 11.608 1.00 0.00 C ATOM 98 C TRP A 482 12.399 1.954 12.882 1.00 0.00 C ATOM 99 O TRP A 482 13.387 1.340 13.302 1.00 0.00 O ATOM 100 CB TRP A 482 10.769 0.301 11.906 1.00 0.00 C ATOM 101 CG TRP A 482 10.468 -0.605 10.749 1.00 0.00 C ATOM 102 CD1 TRP A 482 10.621 -1.948 10.747 1.00 0.00 C ATOM 103 CD2 TRP A 482 10.048 -0.247 9.395 1.00 0.00 C ATOM 104 NE1 TRP A 482 10.342 -2.444 9.488 1.00 0.00 N ATOM 105 CE2 TRP A 482 9.990 -1.439 8.611 1.00 0.00 C ATOM 106 CE3 TRP A 482 9.753 0.968 8.739 1.00 0.00 C ATOM 107 CZ2 TRP A 482 9.654 -1.428 7.249 1.00 0.00 C ATOM 108 CZ3 TRP A 482 9.435 0.991 7.369 1.00 0.00 C ATOM 109 CH2 TRP A 482 9.379 -0.201 6.624 1.00 0.00 C ATOM 0 H TRP A 482 12.832 0.142 10.548 1.00 0.00 H new ATOM 0 HA TRP A 482 11.066 2.337 11.253 1.00 0.00 H new ATOM 0 HB2 TRP A 482 11.236 -0.292 12.693 1.00 0.00 H new ATOM 0 HB3 TRP A 482 9.825 0.673 12.304 1.00 0.00 H new ATOM 0 HD1 TRP A 482 10.916 -2.542 11.599 1.00 0.00 H new ATOM 0 HE1 TRP A 482 10.390 -3.432 9.238 1.00 0.00 H new ATOM 0 HE3 TRP A 482 9.772 1.893 9.297 1.00 0.00 H new ATOM 0 HZ2 TRP A 482 9.607 -2.350 6.689 1.00 0.00 H new ATOM 0 HZ3 TRP A 482 9.232 1.934 6.884 1.00 0.00 H new ATOM 0 HH2 TRP A 482 9.125 -0.172 5.575 1.00 0.00 H new ATOM 120 N VAL A 483 11.869 2.988 13.531 1.00 0.00 N ATOM 121 CA VAL A 483 12.350 3.486 14.828 1.00 0.00 C ATOM 122 C VAL A 483 11.173 3.826 15.733 1.00 0.00 C ATOM 123 O VAL A 483 10.173 4.392 15.284 1.00 0.00 O ATOM 124 CB VAL A 483 13.275 4.713 14.690 1.00 0.00 C ATOM 125 CG1 VAL A 483 14.622 4.347 14.067 1.00 0.00 C ATOM 126 CG2 VAL A 483 12.650 5.846 13.868 1.00 0.00 C ATOM 0 H VAL A 483 11.077 3.517 13.167 1.00 0.00 H new ATOM 0 HA VAL A 483 12.940 2.685 15.273 1.00 0.00 H new ATOM 0 HB VAL A 483 13.426 5.066 15.710 1.00 0.00 H new ATOM 0 HG11 VAL A 483 15.241 5.240 13.989 1.00 0.00 H new ATOM 0 HG12 VAL A 483 15.125 3.611 14.694 1.00 0.00 H new ATOM 0 HG13 VAL A 483 14.462 3.928 13.073 1.00 0.00 H new ATOM 0 HG21 VAL A 483 13.349 6.680 13.807 1.00 0.00 H new ATOM 0 HG22 VAL A 483 12.426 5.486 12.864 1.00 0.00 H new ATOM 0 HG23 VAL A 483 11.729 6.179 14.348 1.00 0.00 H new ATOM 136 N LEU A 484 11.304 3.476 17.011 1.00 0.00 N ATOM 137 CA LEU A 484 10.373 3.871 18.068 1.00 0.00 C ATOM 138 C LEU A 484 10.745 5.266 18.592 1.00 0.00 C ATOM 139 O LEU A 484 11.924 5.584 18.776 1.00 0.00 O ATOM 140 CB LEU A 484 10.448 2.800 19.173 1.00 0.00 C ATOM 141 CG LEU A 484 9.522 2.999 20.383 1.00 0.00 C ATOM 142 CD1 LEU A 484 8.056 3.078 19.966 1.00 0.00 C ATOM 143 CD2 LEU A 484 9.689 1.828 21.351 1.00 0.00 C ATOM 0 H LEU A 484 12.075 2.899 17.348 1.00 0.00 H new ATOM 0 HA LEU A 484 9.350 3.934 17.697 1.00 0.00 H new ATOM 0 HB2 LEU A 484 10.222 1.832 18.726 1.00 0.00 H new ATOM 0 HB3 LEU A 484 11.476 2.753 19.534 1.00 0.00 H new ATOM 0 HG LEU A 484 9.799 3.939 20.859 1.00 0.00 H new ATOM 0 HD11 LEU A 484 7.433 3.219 20.850 1.00 0.00 H new ATOM 0 HD12 LEU A 484 7.916 3.918 19.286 1.00 0.00 H new ATOM 0 HD13 LEU A 484 7.770 2.153 19.464 1.00 0.00 H new ATOM 0 HD21 LEU A 484 9.032 1.969 22.209 1.00 0.00 H new ATOM 0 HD22 LEU A 484 9.430 0.898 20.845 1.00 0.00 H new ATOM 0 HD23 LEU A 484 10.724 1.781 21.690 1.00 0.00 H new ATOM 155 N CYS A 485 9.734 6.084 18.864 1.00 0.00 N ATOM 156 CA CYS A 485 9.881 7.366 19.543 1.00 0.00 C ATOM 157 C CYS A 485 10.025 7.169 21.063 1.00 0.00 C ATOM 158 O CYS A 485 9.073 6.766 21.735 1.00 0.00 O ATOM 159 CB CYS A 485 8.682 8.255 19.185 1.00 0.00 C ATOM 160 SG CYS A 485 8.979 9.049 17.582 1.00 0.00 S ATOM 0 H CYS A 485 8.769 5.870 18.613 1.00 0.00 H new ATOM 0 HA CYS A 485 10.793 7.861 19.209 1.00 0.00 H new ATOM 0 HB2 CYS A 485 7.771 7.657 19.144 1.00 0.00 H new ATOM 0 HB3 CYS A 485 8.533 9.011 19.956 1.00 0.00 H new ATOM 0 HG CYS A 485 7.964 9.801 17.275 1.00 0.00 H new ATOM 166 N ASN A 486 11.202 7.468 21.619 1.00 0.00 N ATOM 167 CA ASN A 486 11.472 7.483 23.060 1.00 0.00 C ATOM 168 C ASN A 486 10.712 8.598 23.814 1.00 0.00 C ATOM 169 O ASN A 486 10.309 8.404 24.963 1.00 0.00 O ATOM 170 CB ASN A 486 12.979 7.706 23.274 1.00 0.00 C ATOM 171 CG ASN A 486 13.850 6.605 22.712 1.00 0.00 C ATOM 172 OD1 ASN A 486 14.592 6.791 21.760 1.00 0.00 O ATOM 173 ND2 ASN A 486 13.791 5.430 23.296 1.00 0.00 N ATOM 0 H ASN A 486 12.020 7.714 21.061 1.00 0.00 H new ATOM 0 HA ASN A 486 11.133 6.527 23.458 1.00 0.00 H new ATOM 0 HB2 ASN A 486 13.265 8.652 22.814 1.00 0.00 H new ATOM 0 HB3 ASN A 486 13.174 7.800 24.342 1.00 0.00 H new ATOM 0 HD21 ASN A 486 14.369 4.661 22.955 1.00 0.00 H new ATOM 0 HD22 ASN A 486 13.168 5.286 24.090 1.00 0.00 H new ATOM 180 N TYR A 487 10.526 9.755 23.165 1.00 0.00 N ATOM 181 CA TYR A 487 9.948 10.985 23.731 1.00 0.00 C ATOM 182 C TYR A 487 9.052 11.687 22.695 1.00 0.00 C ATOM 183 O TYR A 487 9.134 11.416 21.495 1.00 0.00 O ATOM 184 CB TYR A 487 11.057 11.945 24.200 1.00 0.00 C ATOM 185 CG TYR A 487 12.124 11.339 25.097 1.00 0.00 C ATOM 186 CD1 TYR A 487 11.906 11.201 26.483 1.00 0.00 C ATOM 187 CD2 TYR A 487 13.344 10.917 24.536 1.00 0.00 C ATOM 188 CE1 TYR A 487 12.906 10.636 27.302 1.00 0.00 C ATOM 189 CE2 TYR A 487 14.343 10.348 25.345 1.00 0.00 C ATOM 190 CZ TYR A 487 14.128 10.206 26.733 1.00 0.00 C ATOM 191 OH TYR A 487 15.096 9.656 27.514 1.00 0.00 O ATOM 0 H TYR A 487 10.786 9.866 22.185 1.00 0.00 H new ATOM 0 HA TYR A 487 9.341 10.706 24.592 1.00 0.00 H new ATOM 0 HB2 TYR A 487 11.545 12.364 23.320 1.00 0.00 H new ATOM 0 HB3 TYR A 487 10.592 12.775 24.731 1.00 0.00 H new ATOM 0 HD1 TYR A 487 10.973 11.528 26.918 1.00 0.00 H new ATOM 0 HD2 TYR A 487 13.514 11.031 23.476 1.00 0.00 H new ATOM 0 HE1 TYR A 487 12.739 10.532 28.364 1.00 0.00 H new ATOM 0 HE2 TYR A 487 15.273 10.020 24.905 1.00 0.00 H new ATOM 0 HH TYR A 487 15.867 9.417 26.959 1.00 0.00 H new ATOM 201 N ASP A 488 8.184 12.590 23.156 1.00 0.00 N ATOM 202 CA ASP A 488 7.327 13.420 22.304 1.00 0.00 C ATOM 203 C ASP A 488 8.014 14.712 21.811 1.00 0.00 C ATOM 204 O ASP A 488 8.974 15.199 22.418 1.00 0.00 O ATOM 205 CB ASP A 488 6.038 13.759 23.061 1.00 0.00 C ATOM 206 CG ASP A 488 6.246 14.689 24.268 1.00 0.00 C ATOM 207 OD1 ASP A 488 6.815 14.245 25.295 1.00 0.00 O ATOM 208 OD2 ASP A 488 5.783 15.854 24.204 1.00 0.00 O ATOM 0 H ASP A 488 8.054 12.769 24.152 1.00 0.00 H new ATOM 0 HA ASP A 488 7.104 12.838 21.410 1.00 0.00 H new ATOM 0 HB2 ASP A 488 5.337 14.228 22.371 1.00 0.00 H new ATOM 0 HB3 ASP A 488 5.577 12.833 23.404 1.00 0.00 H new ATOM 213 N PHE A 489 7.495 15.283 20.718 1.00 0.00 N ATOM 214 CA PHE A 489 8.001 16.498 20.070 1.00 0.00 C ATOM 215 C PHE A 489 6.912 17.198 19.226 1.00 0.00 C ATOM 216 O PHE A 489 5.950 16.568 18.782 1.00 0.00 O ATOM 217 CB PHE A 489 9.201 16.092 19.194 1.00 0.00 C ATOM 218 CG PHE A 489 9.930 17.241 18.529 1.00 0.00 C ATOM 219 CD1 PHE A 489 10.525 18.248 19.316 1.00 0.00 C ATOM 220 CD2 PHE A 489 9.993 17.317 17.125 1.00 0.00 C ATOM 221 CE1 PHE A 489 11.155 19.343 18.698 1.00 0.00 C ATOM 222 CE2 PHE A 489 10.641 18.402 16.507 1.00 0.00 C ATOM 223 CZ PHE A 489 11.214 19.416 17.296 1.00 0.00 C ATOM 0 H PHE A 489 6.680 14.896 20.242 1.00 0.00 H new ATOM 0 HA PHE A 489 8.306 17.218 20.829 1.00 0.00 H new ATOM 0 HB2 PHE A 489 9.911 15.540 19.811 1.00 0.00 H new ATOM 0 HB3 PHE A 489 8.851 15.408 18.421 1.00 0.00 H new ATOM 0 HD1 PHE A 489 10.497 18.179 20.393 1.00 0.00 H new ATOM 0 HD2 PHE A 489 9.544 16.542 16.522 1.00 0.00 H new ATOM 0 HE1 PHE A 489 11.592 20.126 19.300 1.00 0.00 H new ATOM 0 HE2 PHE A 489 10.698 18.456 15.430 1.00 0.00 H new ATOM 0 HZ PHE A 489 11.702 20.255 16.822 1.00 0.00 H new ATOM 233 N GLN A 490 7.070 18.497 18.951 1.00 0.00 N ATOM 234 CA GLN A 490 6.140 19.295 18.135 1.00 0.00 C ATOM 235 C GLN A 490 6.877 20.019 17.005 1.00 0.00 C ATOM 236 O GLN A 490 7.992 20.506 17.189 1.00 0.00 O ATOM 237 CB GLN A 490 5.399 20.323 19.008 1.00 0.00 C ATOM 238 CG GLN A 490 4.370 19.678 19.948 1.00 0.00 C ATOM 239 CD GLN A 490 3.542 20.711 20.723 1.00 0.00 C ATOM 240 OE1 GLN A 490 3.259 21.814 20.268 1.00 0.00 O ATOM 241 NE2 GLN A 490 3.112 20.402 21.930 1.00 0.00 N ATOM 0 H GLN A 490 7.864 19.037 19.295 1.00 0.00 H new ATOM 0 HA GLN A 490 5.416 18.609 17.695 1.00 0.00 H new ATOM 0 HB2 GLN A 490 6.125 20.880 19.600 1.00 0.00 H new ATOM 0 HB3 GLN A 490 4.894 21.043 18.364 1.00 0.00 H new ATOM 0 HG2 GLN A 490 3.700 19.045 19.366 1.00 0.00 H new ATOM 0 HG3 GLN A 490 4.887 19.029 20.655 1.00 0.00 H new ATOM 0 HE21 GLN A 490 3.333 19.491 22.332 1.00 0.00 H new ATOM 0 HE22 GLN A 490 2.558 21.074 22.462 1.00 0.00 H new ATOM 250 N ALA A 491 6.231 20.138 15.840 1.00 0.00 N ATOM 251 CA ALA A 491 6.789 20.879 14.717 1.00 0.00 C ATOM 252 C ALA A 491 6.625 22.384 14.957 1.00 0.00 C ATOM 253 O ALA A 491 5.500 22.889 15.060 1.00 0.00 O ATOM 254 CB ALA A 491 6.109 20.464 13.406 1.00 0.00 C ATOM 0 H ALA A 491 5.316 19.726 15.655 1.00 0.00 H new ATOM 0 HA ALA A 491 7.851 20.648 14.634 1.00 0.00 H new ATOM 0 HB1 ALA A 491 6.539 21.028 12.579 1.00 0.00 H new ATOM 0 HB2 ALA A 491 6.263 19.398 13.238 1.00 0.00 H new ATOM 0 HB3 ALA A 491 5.041 20.670 13.469 1.00 0.00 H new ATOM 260 N ARG A 492 7.747 23.106 15.023 1.00 0.00 N ATOM 261 CA ARG A 492 7.763 24.574 15.141 1.00 0.00 C ATOM 262 C ARG A 492 7.960 25.258 13.780 1.00 0.00 C ATOM 263 O ARG A 492 7.794 26.475 13.678 1.00 0.00 O ATOM 264 CB ARG A 492 8.796 25.009 16.202 1.00 0.00 C ATOM 265 CG ARG A 492 8.616 24.249 17.535 1.00 0.00 C ATOM 266 CD ARG A 492 9.669 23.154 17.771 1.00 0.00 C ATOM 267 NE ARG A 492 10.884 23.690 18.420 1.00 0.00 N ATOM 268 CZ ARG A 492 11.093 23.819 19.720 1.00 0.00 C ATOM 269 NH1 ARG A 492 10.211 23.461 20.614 1.00 0.00 N ATOM 270 NH2 ARG A 492 12.209 24.327 20.161 1.00 0.00 N ATOM 0 H ARG A 492 8.678 22.690 14.996 1.00 0.00 H new ATOM 0 HA ARG A 492 6.785 24.909 15.487 1.00 0.00 H new ATOM 0 HB2 ARG A 492 9.802 24.836 15.820 1.00 0.00 H new ATOM 0 HB3 ARG A 492 8.702 26.080 16.381 1.00 0.00 H new ATOM 0 HG2 ARG A 492 8.657 24.963 18.358 1.00 0.00 H new ATOM 0 HG3 ARG A 492 7.624 23.797 17.554 1.00 0.00 H new ATOM 0 HD2 ARG A 492 9.242 22.367 18.393 1.00 0.00 H new ATOM 0 HD3 ARG A 492 9.937 22.697 16.819 1.00 0.00 H new ATOM 0 HE ARG A 492 11.638 23.991 17.803 1.00 0.00 H new ATOM 0 HH11 ARG A 492 9.319 23.064 20.320 1.00 0.00 H new ATOM 0 HH12 ARG A 492 10.414 23.579 21.607 1.00 0.00 H new ATOM 0 HH21 ARG A 492 12.928 24.628 19.503 1.00 0.00 H new ATOM 0 HH22 ARG A 492 12.364 24.424 21.165 1.00 0.00 H new ATOM 284 N ASN A 493 8.252 24.472 12.734 1.00 0.00 N ATOM 285 CA ASN A 493 8.466 24.926 11.348 1.00 0.00 C ATOM 286 C ASN A 493 8.042 23.851 10.321 1.00 0.00 C ATOM 287 O ASN A 493 7.863 22.681 10.666 1.00 0.00 O ATOM 288 CB ASN A 493 9.958 25.279 11.146 1.00 0.00 C ATOM 289 CG ASN A 493 10.456 26.414 12.027 1.00 0.00 C ATOM 290 OD1 ASN A 493 10.320 27.588 11.706 1.00 0.00 O ATOM 291 ND2 ASN A 493 11.066 26.103 13.148 1.00 0.00 N ATOM 0 H ASN A 493 8.350 23.461 12.832 1.00 0.00 H new ATOM 0 HA ASN A 493 7.846 25.807 11.183 1.00 0.00 H new ATOM 0 HB2 ASN A 493 10.559 24.391 11.342 1.00 0.00 H new ATOM 0 HB3 ASN A 493 10.118 25.548 10.102 1.00 0.00 H new ATOM 0 HD21 ASN A 493 11.428 26.840 13.753 1.00 0.00 H new ATOM 0 HD22 ASN A 493 11.178 25.124 13.413 1.00 0.00 H new ATOM 298 N SER A 494 7.942 24.228 9.039 1.00 0.00 N ATOM 299 CA SER A 494 7.634 23.314 7.915 1.00 0.00 C ATOM 300 C SER A 494 8.739 22.284 7.627 1.00 0.00 C ATOM 301 O SER A 494 8.478 21.246 7.017 1.00 0.00 O ATOM 302 CB SER A 494 7.399 24.115 6.625 1.00 0.00 C ATOM 303 OG SER A 494 6.453 25.155 6.836 1.00 0.00 O ATOM 0 H SER A 494 8.074 25.195 8.742 1.00 0.00 H new ATOM 0 HA SER A 494 6.740 22.772 8.225 1.00 0.00 H new ATOM 0 HB2 SER A 494 8.341 24.540 6.280 1.00 0.00 H new ATOM 0 HB3 SER A 494 7.043 23.449 5.839 1.00 0.00 H new ATOM 0 HG SER A 494 6.321 25.652 6.002 1.00 0.00 H new ATOM 309 N SER A 495 9.977 22.568 8.052 1.00 0.00 N ATOM 310 CA SER A 495 11.136 21.669 7.930 1.00 0.00 C ATOM 311 C SER A 495 11.088 20.448 8.857 1.00 0.00 C ATOM 312 O SER A 495 11.778 19.456 8.630 1.00 0.00 O ATOM 313 CB SER A 495 12.418 22.460 8.216 1.00 0.00 C ATOM 314 OG SER A 495 12.350 23.087 9.488 1.00 0.00 O ATOM 0 H SER A 495 10.208 23.453 8.503 1.00 0.00 H new ATOM 0 HA SER A 495 11.116 21.283 6.911 1.00 0.00 H new ATOM 0 HB2 SER A 495 13.279 21.792 8.180 1.00 0.00 H new ATOM 0 HB3 SER A 495 12.567 23.213 7.442 1.00 0.00 H new ATOM 0 HG SER A 495 13.178 23.585 9.652 1.00 0.00 H new ATOM 320 N GLU A 496 10.254 20.499 9.888 1.00 0.00 N ATOM 321 CA GLU A 496 10.148 19.513 10.961 1.00 0.00 C ATOM 322 C GLU A 496 8.710 18.989 11.102 1.00 0.00 C ATOM 323 O GLU A 496 7.801 19.367 10.357 1.00 0.00 O ATOM 324 CB GLU A 496 10.711 20.093 12.277 1.00 0.00 C ATOM 325 CG GLU A 496 10.167 21.475 12.662 1.00 0.00 C ATOM 326 CD GLU A 496 10.975 22.146 13.793 1.00 0.00 C ATOM 327 OE1 GLU A 496 11.646 21.453 14.593 1.00 0.00 O ATOM 328 OE2 GLU A 496 10.926 23.393 13.891 1.00 0.00 O ATOM 0 H GLU A 496 9.597 21.270 10.006 1.00 0.00 H new ATOM 0 HA GLU A 496 10.757 18.646 10.705 1.00 0.00 H new ATOM 0 HB2 GLU A 496 10.494 19.396 13.086 1.00 0.00 H new ATOM 0 HB3 GLU A 496 11.796 20.157 12.194 1.00 0.00 H new ATOM 0 HG2 GLU A 496 10.176 22.121 11.784 1.00 0.00 H new ATOM 0 HG3 GLU A 496 9.127 21.376 12.975 1.00 0.00 H new ATOM 335 N LEU A 497 8.526 18.074 12.051 1.00 0.00 N ATOM 336 CA LEU A 497 7.281 17.332 12.278 1.00 0.00 C ATOM 337 C LEU A 497 6.973 17.108 13.765 1.00 0.00 C ATOM 338 O LEU A 497 7.863 17.105 14.615 1.00 0.00 O ATOM 339 CB LEU A 497 7.359 15.961 11.577 1.00 0.00 C ATOM 340 CG LEU A 497 7.363 15.982 10.042 1.00 0.00 C ATOM 341 CD1 LEU A 497 7.587 14.552 9.560 1.00 0.00 C ATOM 342 CD2 LEU A 497 6.052 16.498 9.445 1.00 0.00 C ATOM 0 H LEU A 497 9.263 17.817 12.708 1.00 0.00 H new ATOM 0 HA LEU A 497 6.477 17.941 11.865 1.00 0.00 H new ATOM 0 HB2 LEU A 497 8.263 15.455 11.915 1.00 0.00 H new ATOM 0 HB3 LEU A 497 6.514 15.358 11.909 1.00 0.00 H new ATOM 0 HG LEU A 497 8.151 16.661 9.717 1.00 0.00 H new ATOM 0 HD11 LEU A 497 7.595 14.532 8.470 1.00 0.00 H new ATOM 0 HD12 LEU A 497 8.542 14.187 9.937 1.00 0.00 H new ATOM 0 HD13 LEU A 497 6.784 13.914 9.928 1.00 0.00 H new ATOM 0 HD21 LEU A 497 6.119 16.488 8.357 1.00 0.00 H new ATOM 0 HD22 LEU A 497 5.230 15.857 9.764 1.00 0.00 H new ATOM 0 HD23 LEU A 497 5.872 17.517 9.788 1.00 0.00 H new ATOM 354 N SER A 498 5.688 16.893 14.052 1.00 0.00 N ATOM 355 CA SER A 498 5.157 16.584 15.379 1.00 0.00 C ATOM 356 C SER A 498 4.975 15.073 15.533 1.00 0.00 C ATOM 357 O SER A 498 4.366 14.408 14.687 1.00 0.00 O ATOM 358 CB SER A 498 3.830 17.328 15.601 1.00 0.00 C ATOM 359 OG SER A 498 2.879 17.063 14.581 1.00 0.00 O ATOM 0 H SER A 498 4.961 16.931 13.338 1.00 0.00 H new ATOM 0 HA SER A 498 5.865 16.919 16.137 1.00 0.00 H new ATOM 0 HB2 SER A 498 3.413 17.039 16.566 1.00 0.00 H new ATOM 0 HB3 SER A 498 4.022 18.400 15.645 1.00 0.00 H new ATOM 0 HG SER A 498 2.926 16.117 14.328 1.00 0.00 H new ATOM 365 N VAL A 499 5.530 14.519 16.613 1.00 0.00 N ATOM 366 CA VAL A 499 5.492 13.080 16.922 1.00 0.00 C ATOM 367 C VAL A 499 5.322 12.860 18.425 1.00 0.00 C ATOM 368 O VAL A 499 5.581 13.749 19.237 1.00 0.00 O ATOM 369 CB VAL A 499 6.741 12.333 16.394 1.00 0.00 C ATOM 370 CG1 VAL A 499 6.953 12.544 14.888 1.00 0.00 C ATOM 371 CG2 VAL A 499 8.044 12.697 17.113 1.00 0.00 C ATOM 0 H VAL A 499 6.030 15.066 17.314 1.00 0.00 H new ATOM 0 HA VAL A 499 4.629 12.660 16.405 1.00 0.00 H new ATOM 0 HB VAL A 499 6.519 11.286 16.602 1.00 0.00 H new ATOM 0 HG11 VAL A 499 7.841 12.000 14.566 1.00 0.00 H new ATOM 0 HG12 VAL A 499 6.084 12.175 14.343 1.00 0.00 H new ATOM 0 HG13 VAL A 499 7.085 13.607 14.684 1.00 0.00 H new ATOM 0 HG21 VAL A 499 8.868 12.129 16.682 1.00 0.00 H new ATOM 0 HG22 VAL A 499 8.238 13.763 16.997 1.00 0.00 H new ATOM 0 HG23 VAL A 499 7.954 12.458 18.173 1.00 0.00 H new ATOM 381 N LYS A 500 4.918 11.656 18.821 1.00 0.00 N ATOM 382 CA LYS A 500 4.690 11.289 20.225 1.00 0.00 C ATOM 383 C LYS A 500 5.506 10.055 20.570 1.00 0.00 C ATOM 384 O LYS A 500 5.788 9.222 19.710 1.00 0.00 O ATOM 385 CB LYS A 500 3.180 11.081 20.471 1.00 0.00 C ATOM 386 CG LYS A 500 2.386 12.398 20.382 1.00 0.00 C ATOM 387 CD LYS A 500 2.515 13.251 21.655 1.00 0.00 C ATOM 388 CE LYS A 500 2.309 14.741 21.348 1.00 0.00 C ATOM 389 NZ LYS A 500 2.526 15.590 22.553 1.00 0.00 N ATOM 0 H LYS A 500 4.736 10.893 18.169 1.00 0.00 H new ATOM 0 HA LYS A 500 5.020 12.094 20.882 1.00 0.00 H new ATOM 0 HB2 LYS A 500 2.789 10.374 19.740 1.00 0.00 H new ATOM 0 HB3 LYS A 500 3.032 10.636 21.455 1.00 0.00 H new ATOM 0 HG2 LYS A 500 2.738 12.973 19.526 1.00 0.00 H new ATOM 0 HG3 LYS A 500 1.334 12.173 20.204 1.00 0.00 H new ATOM 0 HD2 LYS A 500 1.781 12.924 22.391 1.00 0.00 H new ATOM 0 HD3 LYS A 500 3.499 13.101 22.098 1.00 0.00 H new ATOM 0 HE2 LYS A 500 2.996 15.048 20.559 1.00 0.00 H new ATOM 0 HE3 LYS A 500 1.299 14.898 20.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 500 2.378 16.589 22.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 500 1.854 15.315 23.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 500 3.498 15.460 22.899 1.00 0.00 H new ATOM 403 N GLN A 501 5.898 9.939 21.835 1.00 0.00 N ATOM 404 CA GLN A 501 6.503 8.711 22.346 1.00 0.00 C ATOM 405 C GLN A 501 5.596 7.495 22.106 1.00 0.00 C ATOM 406 O GLN A 501 4.369 7.623 22.039 1.00 0.00 O ATOM 407 CB GLN A 501 6.891 8.845 23.824 1.00 0.00 C ATOM 408 CG GLN A 501 5.758 9.339 24.740 1.00 0.00 C ATOM 409 CD GLN A 501 6.095 9.126 26.215 1.00 0.00 C ATOM 410 OE1 GLN A 501 6.097 8.010 26.722 1.00 0.00 O ATOM 411 NE2 GLN A 501 6.381 10.171 26.964 1.00 0.00 N ATOM 0 H GLN A 501 5.808 10.682 22.528 1.00 0.00 H new ATOM 0 HA GLN A 501 7.423 8.544 21.786 1.00 0.00 H new ATOM 0 HB2 GLN A 501 7.236 7.876 24.185 1.00 0.00 H new ATOM 0 HB3 GLN A 501 7.732 9.533 23.905 1.00 0.00 H new ATOM 0 HG2 GLN A 501 5.577 10.398 24.557 1.00 0.00 H new ATOM 0 HG3 GLN A 501 4.836 8.811 24.497 1.00 0.00 H new ATOM 0 HE21 GLN A 501 6.383 11.106 26.556 1.00 0.00 H new ATOM 0 HE22 GLN A 501 6.600 10.045 27.952 1.00 0.00 H new ATOM 420 N ARG A 502 6.219 6.315 22.007 1.00 0.00 N ATOM 421 CA ARG A 502 5.562 5.016 21.768 1.00 0.00 C ATOM 422 C ARG A 502 4.959 4.867 20.354 1.00 0.00 C ATOM 423 O ARG A 502 4.171 3.950 20.114 1.00 0.00 O ATOM 424 CB ARG A 502 4.544 4.687 22.888 1.00 0.00 C ATOM 425 CG ARG A 502 5.018 4.957 24.331 1.00 0.00 C ATOM 426 CD ARG A 502 6.247 4.137 24.756 1.00 0.00 C ATOM 427 NE ARG A 502 5.960 2.688 24.791 1.00 0.00 N ATOM 428 CZ ARG A 502 5.286 2.030 25.721 1.00 0.00 C ATOM 429 NH1 ARG A 502 4.825 2.610 26.796 1.00 0.00 N ATOM 430 NH2 ARG A 502 5.053 0.756 25.585 1.00 0.00 N ATOM 0 H ARG A 502 7.232 6.231 22.094 1.00 0.00 H new ATOM 0 HA ARG A 502 6.352 4.266 21.808 1.00 0.00 H new ATOM 0 HB2 ARG A 502 3.638 5.266 22.710 1.00 0.00 H new ATOM 0 HB3 ARG A 502 4.271 3.635 22.807 1.00 0.00 H new ATOM 0 HG2 ARG A 502 5.250 6.017 24.433 1.00 0.00 H new ATOM 0 HG3 ARG A 502 4.198 4.743 25.017 1.00 0.00 H new ATOM 0 HD2 ARG A 502 7.067 4.328 24.064 1.00 0.00 H new ATOM 0 HD3 ARG A 502 6.579 4.465 25.741 1.00 0.00 H new ATOM 0 HE ARG A 502 6.321 2.134 24.014 1.00 0.00 H new ATOM 0 HH11 ARG A 502 4.979 3.607 26.944 1.00 0.00 H new ATOM 0 HH12 ARG A 502 4.310 2.066 27.488 1.00 0.00 H new ATOM 0 HH21 ARG A 502 5.390 0.261 24.759 1.00 0.00 H new ATOM 0 HH22 ARG A 502 4.533 0.253 26.304 1.00 0.00 H new ATOM 444 N ASP A 503 5.354 5.731 19.412 1.00 0.00 N ATOM 445 CA ASP A 503 4.980 5.656 17.989 1.00 0.00 C ATOM 446 C ASP A 503 6.147 5.110 17.151 1.00 0.00 C ATOM 447 O ASP A 503 7.312 5.312 17.500 1.00 0.00 O ATOM 448 CB ASP A 503 4.602 7.049 17.448 1.00 0.00 C ATOM 449 CG ASP A 503 3.219 7.573 17.879 1.00 0.00 C ATOM 450 OD1 ASP A 503 2.404 6.823 18.466 1.00 0.00 O ATOM 451 OD2 ASP A 503 2.913 8.749 17.554 1.00 0.00 O ATOM 0 H ASP A 503 5.959 6.525 19.621 1.00 0.00 H new ATOM 0 HA ASP A 503 4.123 4.987 17.911 1.00 0.00 H new ATOM 0 HB2 ASP A 503 5.359 7.763 17.771 1.00 0.00 H new ATOM 0 HB3 ASP A 503 4.637 7.019 16.359 1.00 0.00 H new ATOM 456 N VAL A 504 5.837 4.475 16.016 1.00 0.00 N ATOM 457 CA VAL A 504 6.830 3.932 15.071 1.00 0.00 C ATOM 458 C VAL A 504 6.786 4.730 13.767 1.00 0.00 C ATOM 459 O VAL A 504 5.705 4.945 13.210 1.00 0.00 O ATOM 460 CB VAL A 504 6.599 2.431 14.799 1.00 0.00 C ATOM 461 CG1 VAL A 504 7.713 1.837 13.926 1.00 0.00 C ATOM 462 CG2 VAL A 504 6.547 1.621 16.099 1.00 0.00 C ATOM 0 H VAL A 504 4.874 4.319 15.719 1.00 0.00 H new ATOM 0 HA VAL A 504 7.818 4.028 15.521 1.00 0.00 H new ATOM 0 HB VAL A 504 5.642 2.366 14.281 1.00 0.00 H new ATOM 0 HG11 VAL A 504 7.516 0.779 13.756 1.00 0.00 H new ATOM 0 HG12 VAL A 504 7.743 2.359 12.970 1.00 0.00 H new ATOM 0 HG13 VAL A 504 8.672 1.951 14.432 1.00 0.00 H new ATOM 0 HG21 VAL A 504 6.383 0.569 15.866 1.00 0.00 H new ATOM 0 HG22 VAL A 504 7.490 1.731 16.634 1.00 0.00 H new ATOM 0 HG23 VAL A 504 5.731 1.986 16.723 1.00 0.00 H new ATOM 472 N LEU A 505 7.953 5.157 13.273 1.00 0.00 N ATOM 473 CA LEU A 505 8.089 6.002 12.075 1.00 0.00 C ATOM 474 C LEU A 505 9.045 5.374 11.053 1.00 0.00 C ATOM 475 O LEU A 505 10.015 4.699 11.407 1.00 0.00 O ATOM 476 CB LEU A 505 8.557 7.424 12.452 1.00 0.00 C ATOM 477 CG LEU A 505 7.736 8.113 13.563 1.00 0.00 C ATOM 478 CD1 LEU A 505 8.451 9.380 14.012 1.00 0.00 C ATOM 479 CD2 LEU A 505 6.333 8.520 13.105 1.00 0.00 C ATOM 0 H LEU A 505 8.849 4.922 13.701 1.00 0.00 H new ATOM 0 HA LEU A 505 7.105 6.075 11.613 1.00 0.00 H new ATOM 0 HB2 LEU A 505 9.598 7.374 12.770 1.00 0.00 H new ATOM 0 HB3 LEU A 505 8.526 8.048 11.559 1.00 0.00 H new ATOM 0 HG LEU A 505 7.641 7.387 14.370 1.00 0.00 H new ATOM 0 HD11 LEU A 505 7.871 9.866 14.796 1.00 0.00 H new ATOM 0 HD12 LEU A 505 9.438 9.124 14.396 1.00 0.00 H new ATOM 0 HD13 LEU A 505 8.556 10.058 13.165 1.00 0.00 H new ATOM 0 HD21 LEU A 505 5.806 8.999 13.930 1.00 0.00 H new ATOM 0 HD22 LEU A 505 6.411 9.217 12.271 1.00 0.00 H new ATOM 0 HD23 LEU A 505 5.783 7.634 12.788 1.00 0.00 H new ATOM 491 N GLU A 506 8.772 5.624 9.772 1.00 0.00 N ATOM 492 CA GLU A 506 9.627 5.231 8.650 1.00 0.00 C ATOM 493 C GLU A 506 10.691 6.308 8.404 1.00 0.00 C ATOM 494 O GLU A 506 10.379 7.405 7.931 1.00 0.00 O ATOM 495 CB GLU A 506 8.748 5.000 7.407 1.00 0.00 C ATOM 496 CG GLU A 506 9.562 4.672 6.143 1.00 0.00 C ATOM 497 CD GLU A 506 8.694 4.231 4.942 1.00 0.00 C ATOM 498 OE1 GLU A 506 7.472 3.979 5.092 1.00 0.00 O ATOM 499 OE2 GLU A 506 9.239 4.120 3.817 1.00 0.00 O ATOM 0 H GLU A 506 7.929 6.118 9.478 1.00 0.00 H new ATOM 0 HA GLU A 506 10.149 4.302 8.878 1.00 0.00 H new ATOM 0 HB2 GLU A 506 8.054 4.183 7.607 1.00 0.00 H new ATOM 0 HB3 GLU A 506 8.147 5.891 7.224 1.00 0.00 H new ATOM 0 HG2 GLU A 506 10.143 5.549 5.858 1.00 0.00 H new ATOM 0 HG3 GLU A 506 10.274 3.880 6.375 1.00 0.00 H new ATOM 506 N VAL A 507 11.948 6.006 8.737 1.00 0.00 N ATOM 507 CA VAL A 507 13.106 6.837 8.370 1.00 0.00 C ATOM 508 C VAL A 507 13.408 6.665 6.875 1.00 0.00 C ATOM 509 O VAL A 507 13.170 5.610 6.284 1.00 0.00 O ATOM 510 CB VAL A 507 14.348 6.462 9.217 1.00 0.00 C ATOM 511 CG1 VAL A 507 15.578 7.313 8.891 1.00 0.00 C ATOM 512 CG2 VAL A 507 14.091 6.528 10.725 1.00 0.00 C ATOM 0 H VAL A 507 12.197 5.174 9.272 1.00 0.00 H new ATOM 0 HA VAL A 507 12.866 7.881 8.572 1.00 0.00 H new ATOM 0 HB VAL A 507 14.552 5.428 8.940 1.00 0.00 H new ATOM 0 HG11 VAL A 507 16.413 7.001 9.518 1.00 0.00 H new ATOM 0 HG12 VAL A 507 15.843 7.182 7.842 1.00 0.00 H new ATOM 0 HG13 VAL A 507 15.355 8.363 9.081 1.00 0.00 H new ATOM 0 HG21 VAL A 507 15.000 6.254 11.261 1.00 0.00 H new ATOM 0 HG22 VAL A 507 13.799 7.541 11.000 1.00 0.00 H new ATOM 0 HG23 VAL A 507 13.292 5.835 10.989 1.00 0.00 H new ATOM 522 N LEU A 508 13.979 7.711 6.284 1.00 0.00 N ATOM 523 CA LEU A 508 14.320 7.872 4.874 1.00 0.00 C ATOM 524 C LEU A 508 15.796 8.298 4.692 1.00 0.00 C ATOM 525 O LEU A 508 16.378 8.030 3.639 1.00 0.00 O ATOM 526 CB LEU A 508 13.393 8.939 4.256 1.00 0.00 C ATOM 527 CG LEU A 508 11.874 8.750 4.464 1.00 0.00 C ATOM 528 CD1 LEU A 508 11.138 9.983 3.944 1.00 0.00 C ATOM 529 CD2 LEU A 508 11.328 7.523 3.734 1.00 0.00 C ATOM 0 H LEU A 508 14.236 8.537 6.825 1.00 0.00 H new ATOM 0 HA LEU A 508 14.186 6.913 4.373 1.00 0.00 H new ATOM 0 HB2 LEU A 508 13.673 9.910 4.665 1.00 0.00 H new ATOM 0 HB3 LEU A 508 13.587 8.977 3.184 1.00 0.00 H new ATOM 0 HG LEU A 508 11.712 8.608 5.532 1.00 0.00 H new ATOM 0 HD11 LEU A 508 10.065 9.854 4.089 1.00 0.00 H new ATOM 0 HD12 LEU A 508 11.475 10.865 4.490 1.00 0.00 H new ATOM 0 HD13 LEU A 508 11.348 10.111 2.882 1.00 0.00 H new ATOM 0 HD21 LEU A 508 10.256 7.439 3.915 1.00 0.00 H new ATOM 0 HD22 LEU A 508 11.508 7.626 2.664 1.00 0.00 H new ATOM 0 HD23 LEU A 508 11.829 6.628 4.102 1.00 0.00 H new ATOM 541 N ASP A 509 16.411 8.926 5.707 1.00 0.00 N ATOM 542 CA ASP A 509 17.840 9.288 5.723 1.00 0.00 C ATOM 543 C ASP A 509 18.394 9.349 7.158 1.00 0.00 C ATOM 544 O ASP A 509 17.709 9.822 8.063 1.00 0.00 O ATOM 545 CB ASP A 509 18.042 10.651 5.043 1.00 0.00 C ATOM 546 CG ASP A 509 19.534 11.015 4.960 1.00 0.00 C ATOM 547 OD1 ASP A 509 20.285 10.317 4.239 1.00 0.00 O ATOM 548 OD2 ASP A 509 19.966 11.984 5.628 1.00 0.00 O ATOM 0 H ASP A 509 15.920 9.202 6.557 1.00 0.00 H new ATOM 0 HA ASP A 509 18.383 8.515 5.179 1.00 0.00 H new ATOM 0 HB2 ASP A 509 17.614 10.627 4.041 1.00 0.00 H new ATOM 0 HB3 ASP A 509 17.507 11.421 5.599 1.00 0.00 H new ATOM 553 N ASP A 510 19.639 8.899 7.354 1.00 0.00 N ATOM 554 CA ASP A 510 20.269 8.673 8.670 1.00 0.00 C ATOM 555 C ASP A 510 21.780 9.023 8.693 1.00 0.00 C ATOM 556 O ASP A 510 22.585 8.392 9.386 1.00 0.00 O ATOM 557 CB ASP A 510 19.961 7.236 9.143 1.00 0.00 C ATOM 558 CG ASP A 510 20.222 6.152 8.079 1.00 0.00 C ATOM 559 OD1 ASP A 510 21.392 5.949 7.671 1.00 0.00 O ATOM 560 OD2 ASP A 510 19.255 5.476 7.650 1.00 0.00 O ATOM 0 H ASP A 510 20.261 8.673 6.578 1.00 0.00 H new ATOM 0 HA ASP A 510 19.831 9.367 9.387 1.00 0.00 H new ATOM 0 HB2 ASP A 510 20.565 7.018 10.024 1.00 0.00 H new ATOM 0 HB3 ASP A 510 18.917 7.183 9.451 1.00 0.00 H new ATOM 565 N SER A 511 22.185 10.046 7.924 1.00 0.00 N ATOM 566 CA SER A 511 23.593 10.455 7.743 1.00 0.00 C ATOM 567 C SER A 511 24.078 11.461 8.808 1.00 0.00 C ATOM 568 O SER A 511 25.276 11.750 8.911 1.00 0.00 O ATOM 569 CB SER A 511 23.731 11.056 6.334 1.00 0.00 C ATOM 570 OG SER A 511 25.088 11.209 5.946 1.00 0.00 O ATOM 0 H SER A 511 21.531 10.626 7.398 1.00 0.00 H new ATOM 0 HA SER A 511 24.224 9.574 7.862 1.00 0.00 H new ATOM 0 HB2 SER A 511 23.220 10.415 5.616 1.00 0.00 H new ATOM 0 HB3 SER A 511 23.235 12.026 6.305 1.00 0.00 H new ATOM 0 HG SER A 511 25.641 11.354 6.742 1.00 0.00 H new ATOM 576 N ARG A 512 23.151 12.007 9.610 1.00 0.00 N ATOM 577 CA ARG A 512 23.329 13.194 10.465 1.00 0.00 C ATOM 578 C ARG A 512 22.560 13.084 11.798 1.00 0.00 C ATOM 579 O ARG A 512 21.881 12.090 12.058 1.00 0.00 O ATOM 580 CB ARG A 512 22.854 14.426 9.666 1.00 0.00 C ATOM 581 CG ARG A 512 23.717 14.821 8.451 1.00 0.00 C ATOM 582 CD ARG A 512 23.715 16.350 8.291 1.00 0.00 C ATOM 583 NE ARG A 512 24.195 16.793 6.969 1.00 0.00 N ATOM 584 CZ ARG A 512 25.034 17.780 6.701 1.00 0.00 C ATOM 585 NH1 ARG A 512 25.715 18.413 7.619 1.00 0.00 N ATOM 586 NH2 ARG A 512 25.203 18.151 5.465 1.00 0.00 N ATOM 0 H ARG A 512 22.212 11.615 9.685 1.00 0.00 H new ATOM 0 HA ARG A 512 24.382 13.283 10.731 1.00 0.00 H new ATOM 0 HB2 ARG A 512 21.838 14.239 9.319 1.00 0.00 H new ATOM 0 HB3 ARG A 512 22.807 15.278 10.345 1.00 0.00 H new ATOM 0 HG2 ARG A 512 24.737 14.461 8.584 1.00 0.00 H new ATOM 0 HG3 ARG A 512 23.328 14.350 7.548 1.00 0.00 H new ATOM 0 HD2 ARG A 512 22.704 16.725 8.448 1.00 0.00 H new ATOM 0 HD3 ARG A 512 24.342 16.791 9.065 1.00 0.00 H new ATOM 0 HE ARG A 512 23.837 16.277 6.165 1.00 0.00 H new ATOM 0 HH11 ARG A 512 25.613 18.153 8.600 1.00 0.00 H new ATOM 0 HH12 ARG A 512 26.349 19.167 7.355 1.00 0.00 H new ATOM 0 HH21 ARG A 512 24.692 17.682 4.717 1.00 0.00 H new ATOM 0 HH22 ARG A 512 25.847 18.911 5.244 1.00 0.00 H new ATOM 600 N LYS A 513 22.649 14.129 12.633 1.00 0.00 N ATOM 601 CA LYS A 513 21.950 14.295 13.928 1.00 0.00 C ATOM 602 C LYS A 513 20.412 14.349 13.838 1.00 0.00 C ATOM 603 O LYS A 513 19.737 14.152 14.847 1.00 0.00 O ATOM 604 CB LYS A 513 22.432 15.603 14.580 1.00 0.00 C ATOM 605 CG LYS A 513 23.922 15.662 14.960 1.00 0.00 C ATOM 606 CD LYS A 513 24.240 14.926 16.270 1.00 0.00 C ATOM 607 CE LYS A 513 25.652 15.299 16.749 1.00 0.00 C ATOM 608 NZ LYS A 513 25.767 15.285 18.236 1.00 0.00 N ATOM 0 H LYS A 513 23.243 14.930 12.416 1.00 0.00 H new ATOM 0 HA LYS A 513 22.194 13.408 14.512 1.00 0.00 H new ATOM 0 HB2 LYS A 513 22.220 16.425 13.897 1.00 0.00 H new ATOM 0 HB3 LYS A 513 21.842 15.776 15.480 1.00 0.00 H new ATOM 0 HG2 LYS A 513 24.514 15.228 14.154 1.00 0.00 H new ATOM 0 HG3 LYS A 513 24.226 16.705 15.053 1.00 0.00 H new ATOM 0 HD2 LYS A 513 23.507 15.189 17.032 1.00 0.00 H new ATOM 0 HD3 LYS A 513 24.170 13.849 16.118 1.00 0.00 H new ATOM 0 HE2 LYS A 513 26.374 14.601 16.324 1.00 0.00 H new ATOM 0 HE3 LYS A 513 25.910 16.290 16.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 513 26.736 15.543 18.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 513 25.098 15.970 18.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 513 25.547 14.333 18.592 1.00 0.00 H new ATOM 622 N TRP A 514 19.844 14.623 12.666 1.00 0.00 N ATOM 623 CA TRP A 514 18.393 14.696 12.452 1.00 0.00 C ATOM 624 C TRP A 514 18.014 13.822 11.260 1.00 0.00 C ATOM 625 O TRP A 514 18.520 14.004 10.150 1.00 0.00 O ATOM 626 CB TRP A 514 17.941 16.142 12.221 1.00 0.00 C ATOM 627 CG TRP A 514 17.921 17.033 13.426 1.00 0.00 C ATOM 628 CD1 TRP A 514 18.993 17.409 14.160 1.00 0.00 C ATOM 629 CD2 TRP A 514 16.775 17.695 14.041 1.00 0.00 C ATOM 630 NE1 TRP A 514 18.589 18.194 15.219 1.00 0.00 N ATOM 631 CE2 TRP A 514 17.226 18.390 15.201 1.00 0.00 C ATOM 632 CE3 TRP A 514 15.400 17.792 13.732 1.00 0.00 C ATOM 633 CZ2 TRP A 514 16.352 19.092 16.038 1.00 0.00 C ATOM 634 CZ3 TRP A 514 14.516 18.519 14.547 1.00 0.00 C ATOM 635 CH2 TRP A 514 14.986 19.158 15.713 1.00 0.00 C ATOM 0 H TRP A 514 20.385 14.804 11.821 1.00 0.00 H new ATOM 0 HA TRP A 514 17.887 14.331 13.346 1.00 0.00 H new ATOM 0 HB2 TRP A 514 18.597 16.590 11.475 1.00 0.00 H new ATOM 0 HB3 TRP A 514 16.939 16.123 11.793 1.00 0.00 H new ATOM 0 HD1 TRP A 514 20.016 17.135 13.948 1.00 0.00 H new ATOM 0 HE1 TRP A 514 19.218 18.579 15.924 1.00 0.00 H new ATOM 0 HE3 TRP A 514 15.020 17.297 12.851 1.00 0.00 H new ATOM 0 HZ2 TRP A 514 16.724 19.579 16.927 1.00 0.00 H new ATOM 0 HZ3 TRP A 514 13.472 18.589 14.279 1.00 0.00 H new ATOM 0 HH2 TRP A 514 14.301 19.695 16.352 1.00 0.00 H new ATOM 646 N TRP A 515 17.145 12.838 11.495 1.00 0.00 N ATOM 647 CA TRP A 515 16.762 11.886 10.452 1.00 0.00 C ATOM 648 C TRP A 515 15.499 12.367 9.739 1.00 0.00 C ATOM 649 O TRP A 515 14.566 12.881 10.367 1.00 0.00 O ATOM 650 CB TRP A 515 16.656 10.458 11.011 1.00 0.00 C ATOM 651 CG TRP A 515 17.919 9.883 11.608 1.00 0.00 C ATOM 652 CD1 TRP A 515 19.129 10.483 11.717 1.00 0.00 C ATOM 653 CD2 TRP A 515 18.125 8.538 12.124 1.00 0.00 C ATOM 654 NE1 TRP A 515 20.045 9.619 12.282 1.00 0.00 N ATOM 655 CE2 TRP A 515 19.480 8.392 12.542 1.00 0.00 C ATOM 656 CE3 TRP A 515 17.295 7.409 12.241 1.00 0.00 C ATOM 657 CZ2 TRP A 515 19.983 7.187 13.060 1.00 0.00 C ATOM 658 CZ3 TRP A 515 17.782 6.194 12.750 1.00 0.00 C ATOM 659 CH2 TRP A 515 19.123 6.080 13.168 1.00 0.00 C ATOM 0 H TRP A 515 16.694 12.680 12.396 1.00 0.00 H new ATOM 0 HA TRP A 515 17.547 11.841 9.697 1.00 0.00 H new ATOM 0 HB2 TRP A 515 15.879 10.445 11.775 1.00 0.00 H new ATOM 0 HB3 TRP A 515 16.325 9.799 10.208 1.00 0.00 H new ATOM 0 HD1 TRP A 515 19.346 11.494 11.406 1.00 0.00 H new ATOM 0 HE1 TRP A 515 21.016 9.859 12.481 1.00 0.00 H new ATOM 0 HE3 TRP A 515 16.262 7.478 11.933 1.00 0.00 H new ATOM 0 HZ2 TRP A 515 21.015 7.112 13.371 1.00 0.00 H new ATOM 0 HZ3 TRP A 515 17.124 5.341 12.822 1.00 0.00 H new ATOM 0 HH2 TRP A 515 19.488 5.146 13.570 1.00 0.00 H new ATOM 670 N LYS A 516 15.480 12.217 8.412 1.00 0.00 N ATOM 671 CA LYS A 516 14.298 12.447 7.594 1.00 0.00 C ATOM 672 C LYS A 516 13.402 11.245 7.805 1.00 0.00 C ATOM 673 O LYS A 516 13.788 10.134 7.468 1.00 0.00 O ATOM 674 CB LYS A 516 14.694 12.644 6.121 1.00 0.00 C ATOM 675 CG LYS A 516 13.491 13.140 5.307 1.00 0.00 C ATOM 676 CD LYS A 516 13.865 13.413 3.843 1.00 0.00 C ATOM 677 CE LYS A 516 12.633 13.883 3.056 1.00 0.00 C ATOM 678 NZ LYS A 516 12.964 14.159 1.633 1.00 0.00 N ATOM 0 H LYS A 516 16.297 11.929 7.874 1.00 0.00 H new ATOM 0 HA LYS A 516 13.770 13.358 7.877 1.00 0.00 H new ATOM 0 HB2 LYS A 516 15.511 13.362 6.050 1.00 0.00 H new ATOM 0 HB3 LYS A 516 15.059 11.704 5.707 1.00 0.00 H new ATOM 0 HG2 LYS A 516 12.695 12.397 5.346 1.00 0.00 H new ATOM 0 HG3 LYS A 516 13.098 14.052 5.758 1.00 0.00 H new ATOM 0 HD2 LYS A 516 14.646 14.172 3.796 1.00 0.00 H new ATOM 0 HD3 LYS A 516 14.271 12.509 3.390 1.00 0.00 H new ATOM 0 HE2 LYS A 516 11.855 13.121 3.108 1.00 0.00 H new ATOM 0 HE3 LYS A 516 12.228 14.784 3.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 12.109 14.474 1.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 13.688 14.904 1.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 13.327 13.293 1.187 1.00 0.00 H new ATOM 692 N VAL A 517 12.241 11.459 8.400 1.00 0.00 N ATOM 693 CA VAL A 517 11.214 10.429 8.622 1.00 0.00 C ATOM 694 C VAL A 517 9.859 10.882 8.062 1.00 0.00 C ATOM 695 O VAL A 517 9.727 12.003 7.561 1.00 0.00 O ATOM 696 CB VAL A 517 11.114 10.004 10.112 1.00 0.00 C ATOM 697 CG1 VAL A 517 12.475 9.753 10.776 1.00 0.00 C ATOM 698 CG2 VAL A 517 10.371 11.024 10.980 1.00 0.00 C ATOM 0 H VAL A 517 11.969 12.376 8.755 1.00 0.00 H new ATOM 0 HA VAL A 517 11.522 9.538 8.074 1.00 0.00 H new ATOM 0 HB VAL A 517 10.554 9.070 10.064 1.00 0.00 H new ATOM 0 HG11 VAL A 517 12.324 9.460 11.815 1.00 0.00 H new ATOM 0 HG12 VAL A 517 12.997 8.956 10.246 1.00 0.00 H new ATOM 0 HG13 VAL A 517 13.072 10.664 10.739 1.00 0.00 H new ATOM 0 HG21 VAL A 517 10.335 10.668 12.010 1.00 0.00 H new ATOM 0 HG22 VAL A 517 10.892 11.980 10.944 1.00 0.00 H new ATOM 0 HG23 VAL A 517 9.356 11.150 10.604 1.00 0.00 H new ATOM 708 N ARG A 518 8.838 10.023 8.171 1.00 0.00 N ATOM 709 CA ARG A 518 7.448 10.328 7.791 1.00 0.00 C ATOM 710 C ARG A 518 6.478 9.942 8.904 1.00 0.00 C ATOM 711 O ARG A 518 6.642 8.893 9.532 1.00 0.00 O ATOM 712 CB ARG A 518 7.119 9.610 6.472 1.00 0.00 C ATOM 713 CG ARG A 518 5.791 10.084 5.859 1.00 0.00 C ATOM 714 CD ARG A 518 5.422 9.282 4.610 1.00 0.00 C ATOM 715 NE ARG A 518 4.860 7.965 4.968 1.00 0.00 N ATOM 716 CZ ARG A 518 4.225 7.134 4.162 1.00 0.00 C ATOM 717 NH1 ARG A 518 4.045 7.397 2.896 1.00 0.00 N ATOM 718 NH2 ARG A 518 3.744 6.013 4.617 1.00 0.00 N ATOM 0 H ARG A 518 8.955 9.077 8.533 1.00 0.00 H new ATOM 0 HA ARG A 518 7.339 11.402 7.641 1.00 0.00 H new ATOM 0 HB2 ARG A 518 7.926 9.780 5.759 1.00 0.00 H new ATOM 0 HB3 ARG A 518 7.071 8.536 6.649 1.00 0.00 H new ATOM 0 HG2 ARG A 518 4.996 9.991 6.599 1.00 0.00 H new ATOM 0 HG3 ARG A 518 5.866 11.141 5.603 1.00 0.00 H new ATOM 0 HD2 ARG A 518 4.698 9.840 4.017 1.00 0.00 H new ATOM 0 HD3 ARG A 518 6.306 9.146 3.988 1.00 0.00 H new ATOM 0 HE ARG A 518 4.974 7.666 5.937 1.00 0.00 H new ATOM 0 HH11 ARG A 518 4.400 8.268 2.501 1.00 0.00 H new ATOM 0 HH12 ARG A 518 3.550 6.732 2.302 1.00 0.00 H new ATOM 0 HH21 ARG A 518 3.857 5.772 5.602 1.00 0.00 H new ATOM 0 HH22 ARG A 518 3.255 5.376 3.989 1.00 0.00 H new ATOM 732 N ASP A 519 5.479 10.789 9.150 1.00 0.00 N ATOM 733 CA ASP A 519 4.420 10.512 10.123 1.00 0.00 C ATOM 734 C ASP A 519 3.430 9.421 9.625 1.00 0.00 C ATOM 735 O ASP A 519 3.439 9.055 8.442 1.00 0.00 O ATOM 736 CB ASP A 519 3.779 11.852 10.533 1.00 0.00 C ATOM 737 CG ASP A 519 2.596 12.339 9.676 1.00 0.00 C ATOM 738 OD1 ASP A 519 2.429 11.874 8.524 1.00 0.00 O ATOM 739 OD2 ASP A 519 1.839 13.212 10.160 1.00 0.00 O ATOM 0 H ASP A 519 5.380 11.689 8.680 1.00 0.00 H new ATOM 0 HA ASP A 519 4.834 10.063 11.026 1.00 0.00 H new ATOM 0 HB2 ASP A 519 3.440 11.766 11.565 1.00 0.00 H new ATOM 0 HB3 ASP A 519 4.552 12.620 10.515 1.00 0.00 H new ATOM 744 N PRO A 520 2.563 8.874 10.499 1.00 0.00 N ATOM 745 CA PRO A 520 1.592 7.834 10.141 1.00 0.00 C ATOM 746 C PRO A 520 0.357 8.359 9.366 1.00 0.00 C ATOM 747 O PRO A 520 -0.726 7.770 9.449 1.00 0.00 O ATOM 748 CB PRO A 520 1.255 7.148 11.476 1.00 0.00 C ATOM 749 CG PRO A 520 1.405 8.272 12.496 1.00 0.00 C ATOM 750 CD PRO A 520 2.559 9.094 11.939 1.00 0.00 C ATOM 0 HA PRO A 520 2.008 7.127 9.423 1.00 0.00 H new ATOM 0 HB2 PRO A 520 0.245 6.739 11.474 1.00 0.00 H new ATOM 0 HB3 PRO A 520 1.934 6.321 11.686 1.00 0.00 H new ATOM 0 HG2 PRO A 520 0.493 8.863 12.581 1.00 0.00 H new ATOM 0 HG3 PRO A 520 1.628 7.886 13.491 1.00 0.00 H new ATOM 0 HD2 PRO A 520 2.430 10.151 12.170 1.00 0.00 H new ATOM 0 HD3 PRO A 520 3.506 8.784 12.382 1.00 0.00 H new ATOM 758 N ALA A 521 0.498 9.450 8.601 1.00 0.00 N ATOM 759 CA ALA A 521 -0.555 10.033 7.764 1.00 0.00 C ATOM 760 C ALA A 521 -0.075 10.413 6.347 1.00 0.00 C ATOM 761 O ALA A 521 -0.809 10.182 5.380 1.00 0.00 O ATOM 762 CB ALA A 521 -1.139 11.251 8.489 1.00 0.00 C ATOM 0 H ALA A 521 1.376 9.966 8.547 1.00 0.00 H new ATOM 0 HA ALA A 521 -1.322 9.273 7.615 1.00 0.00 H new ATOM 0 HB1 ALA A 521 -1.924 11.696 7.878 1.00 0.00 H new ATOM 0 HB2 ALA A 521 -1.557 10.939 9.446 1.00 0.00 H new ATOM 0 HB3 ALA A 521 -0.352 11.985 8.659 1.00 0.00 H new ATOM 768 N GLY A 522 1.142 10.952 6.199 1.00 0.00 N ATOM 769 CA GLY A 522 1.730 11.275 4.890 1.00 0.00 C ATOM 770 C GLY A 522 2.703 12.453 4.836 1.00 0.00 C ATOM 771 O GLY A 522 2.929 12.994 3.749 1.00 0.00 O ATOM 0 H GLY A 522 1.750 11.178 6.986 1.00 0.00 H new ATOM 0 HA2 GLY A 522 2.250 10.389 4.525 1.00 0.00 H new ATOM 0 HA3 GLY A 522 0.916 11.476 4.194 1.00 0.00 H new ATOM 775 N GLN A 523 3.254 12.883 5.970 1.00 0.00 N ATOM 776 CA GLN A 523 4.016 14.125 6.088 1.00 0.00 C ATOM 777 C GLN A 523 5.484 13.803 6.355 1.00 0.00 C ATOM 778 O GLN A 523 5.792 13.098 7.315 1.00 0.00 O ATOM 779 CB GLN A 523 3.450 14.952 7.246 1.00 0.00 C ATOM 780 CG GLN A 523 1.940 15.179 7.156 1.00 0.00 C ATOM 781 CD GLN A 523 1.467 16.235 8.150 1.00 0.00 C ATOM 782 OE1 GLN A 523 1.293 17.405 7.821 1.00 0.00 O ATOM 783 NE2 GLN A 523 1.247 15.881 9.397 1.00 0.00 N ATOM 0 H GLN A 523 3.182 12.369 6.848 1.00 0.00 H new ATOM 0 HA GLN A 523 3.939 14.693 5.161 1.00 0.00 H new ATOM 0 HB2 GLN A 523 3.678 14.449 8.186 1.00 0.00 H new ATOM 0 HB3 GLN A 523 3.953 15.918 7.271 1.00 0.00 H new ATOM 0 HG2 GLN A 523 1.678 15.489 6.144 1.00 0.00 H new ATOM 0 HG3 GLN A 523 1.419 14.241 7.347 1.00 0.00 H new ATOM 0 HE21 GLN A 523 1.387 14.912 9.685 1.00 0.00 H new ATOM 0 HE22 GLN A 523 0.936 16.575 10.077 1.00 0.00 H new ATOM 792 N GLU A 524 6.383 14.318 5.516 1.00 0.00 N ATOM 793 CA GLU A 524 7.834 14.113 5.616 1.00 0.00 C ATOM 794 C GLU A 524 8.542 15.388 6.102 1.00 0.00 C ATOM 795 O GLU A 524 8.118 16.514 5.819 1.00 0.00 O ATOM 796 CB GLU A 524 8.422 13.700 4.259 1.00 0.00 C ATOM 797 CG GLU A 524 7.896 12.357 3.741 1.00 0.00 C ATOM 798 CD GLU A 524 8.219 12.139 2.249 1.00 0.00 C ATOM 799 OE1 GLU A 524 9.366 12.399 1.812 1.00 0.00 O ATOM 800 OE2 GLU A 524 7.316 11.699 1.495 1.00 0.00 O ATOM 0 H GLU A 524 6.118 14.906 4.726 1.00 0.00 H new ATOM 0 HA GLU A 524 7.999 13.315 6.340 1.00 0.00 H new ATOM 0 HB2 GLU A 524 8.198 14.475 3.526 1.00 0.00 H new ATOM 0 HB3 GLU A 524 9.507 13.646 4.345 1.00 0.00 H new ATOM 0 HG2 GLU A 524 8.332 11.548 4.327 1.00 0.00 H new ATOM 0 HG3 GLU A 524 6.817 12.311 3.888 1.00 0.00 H new ATOM 807 N GLY A 525 9.637 15.200 6.835 1.00 0.00 N ATOM 808 CA GLY A 525 10.376 16.264 7.511 1.00 0.00 C ATOM 809 C GLY A 525 11.440 15.694 8.446 1.00 0.00 C ATOM 810 O GLY A 525 11.718 14.491 8.431 1.00 0.00 O ATOM 0 H GLY A 525 10.046 14.277 6.979 1.00 0.00 H new ATOM 0 HA2 GLY A 525 10.848 16.909 6.770 1.00 0.00 H new ATOM 0 HA3 GLY A 525 9.684 16.885 8.080 1.00 0.00 H new ATOM 814 N TYR A 526 12.023 16.555 9.275 1.00 0.00 N ATOM 815 CA TYR A 526 13.166 16.213 10.116 1.00 0.00 C ATOM 816 C TYR A 526 12.773 16.132 11.591 1.00 0.00 C ATOM 817 O TYR A 526 12.001 16.954 12.094 1.00 0.00 O ATOM 818 CB TYR A 526 14.285 17.237 9.884 1.00 0.00 C ATOM 819 CG TYR A 526 14.895 17.185 8.493 1.00 0.00 C ATOM 820 CD1 TYR A 526 15.648 16.062 8.093 1.00 0.00 C ATOM 821 CD2 TYR A 526 14.720 18.261 7.601 1.00 0.00 C ATOM 822 CE1 TYR A 526 16.216 16.012 6.805 1.00 0.00 C ATOM 823 CE2 TYR A 526 15.277 18.210 6.311 1.00 0.00 C ATOM 824 CZ TYR A 526 16.028 17.085 5.906 1.00 0.00 C ATOM 825 OH TYR A 526 16.561 17.032 4.655 1.00 0.00 O ATOM 0 H TYR A 526 11.712 17.520 9.383 1.00 0.00 H new ATOM 0 HA TYR A 526 13.529 15.223 9.839 1.00 0.00 H new ATOM 0 HB2 TYR A 526 13.889 18.238 10.058 1.00 0.00 H new ATOM 0 HB3 TYR A 526 15.072 17.073 10.620 1.00 0.00 H new ATOM 0 HD1 TYR A 526 15.790 15.238 8.776 1.00 0.00 H new ATOM 0 HD2 TYR A 526 14.156 19.129 7.909 1.00 0.00 H new ATOM 0 HE1 TYR A 526 16.796 15.152 6.504 1.00 0.00 H new ATOM 0 HE2 TYR A 526 15.130 19.034 5.628 1.00 0.00 H new ATOM 0 HH TYR A 526 16.335 17.852 4.168 1.00 0.00 H new ATOM 835 N VAL A 527 13.346 15.150 12.290 1.00 0.00 N ATOM 836 CA VAL A 527 13.202 14.947 13.737 1.00 0.00 C ATOM 837 C VAL A 527 14.564 14.570 14.343 1.00 0.00 C ATOM 838 O VAL A 527 15.404 13.981 13.651 1.00 0.00 O ATOM 839 CB VAL A 527 12.144 13.869 14.063 1.00 0.00 C ATOM 840 CG1 VAL A 527 10.732 14.296 13.649 1.00 0.00 C ATOM 841 CG2 VAL A 527 12.465 12.525 13.410 1.00 0.00 C ATOM 0 H VAL A 527 13.944 14.449 11.851 1.00 0.00 H new ATOM 0 HA VAL A 527 12.855 15.881 14.179 1.00 0.00 H new ATOM 0 HB VAL A 527 12.176 13.753 15.146 1.00 0.00 H new ATOM 0 HG11 VAL A 527 10.025 13.505 13.899 1.00 0.00 H new ATOM 0 HG12 VAL A 527 10.458 15.209 14.178 1.00 0.00 H new ATOM 0 HG13 VAL A 527 10.707 14.479 12.575 1.00 0.00 H new ATOM 0 HG21 VAL A 527 11.692 11.801 13.669 1.00 0.00 H new ATOM 0 HG22 VAL A 527 12.501 12.646 12.327 1.00 0.00 H new ATOM 0 HG23 VAL A 527 13.431 12.168 13.767 1.00 0.00 H new ATOM 851 N PRO A 528 14.819 14.899 15.618 1.00 0.00 N ATOM 852 CA PRO A 528 16.116 14.673 16.242 1.00 0.00 C ATOM 853 C PRO A 528 16.362 13.185 16.505 1.00 0.00 C ATOM 854 O PRO A 528 15.499 12.490 17.044 1.00 0.00 O ATOM 855 CB PRO A 528 16.053 15.473 17.539 1.00 0.00 C ATOM 856 CG PRO A 528 14.575 15.504 17.908 1.00 0.00 C ATOM 857 CD PRO A 528 13.916 15.578 16.537 1.00 0.00 C ATOM 0 HA PRO A 528 16.943 14.987 15.605 1.00 0.00 H new ATOM 0 HB2 PRO A 528 16.646 15.002 18.323 1.00 0.00 H new ATOM 0 HB3 PRO A 528 16.447 16.480 17.402 1.00 0.00 H new ATOM 0 HG2 PRO A 528 14.272 14.614 18.460 1.00 0.00 H new ATOM 0 HG3 PRO A 528 14.326 16.365 18.529 1.00 0.00 H new ATOM 0 HD2 PRO A 528 12.938 15.098 16.548 1.00 0.00 H new ATOM 0 HD3 PRO A 528 13.759 16.614 16.235 1.00 0.00 H new ATOM 865 N TYR A 529 17.564 12.686 16.204 1.00 0.00 N ATOM 866 CA TYR A 529 17.916 11.286 16.492 1.00 0.00 C ATOM 867 C TYR A 529 17.874 10.937 17.994 1.00 0.00 C ATOM 868 O TYR A 529 17.740 9.764 18.340 1.00 0.00 O ATOM 869 CB TYR A 529 19.269 10.903 15.868 1.00 0.00 C ATOM 870 CG TYR A 529 20.492 11.118 16.752 1.00 0.00 C ATOM 871 CD1 TYR A 529 20.789 12.395 17.264 1.00 0.00 C ATOM 872 CD2 TYR A 529 21.306 10.024 17.105 1.00 0.00 C ATOM 873 CE1 TYR A 529 21.869 12.590 18.148 1.00 0.00 C ATOM 874 CE2 TYR A 529 22.396 10.206 17.978 1.00 0.00 C ATOM 875 CZ TYR A 529 22.672 11.485 18.512 1.00 0.00 C ATOM 876 OH TYR A 529 23.705 11.637 19.385 1.00 0.00 O ATOM 0 H TYR A 529 18.309 13.225 15.763 1.00 0.00 H new ATOM 0 HA TYR A 529 17.140 10.683 16.020 1.00 0.00 H new ATOM 0 HB2 TYR A 529 19.231 9.852 15.582 1.00 0.00 H new ATOM 0 HB3 TYR A 529 19.401 11.478 14.952 1.00 0.00 H new ATOM 0 HD1 TYR A 529 20.180 13.239 16.975 1.00 0.00 H new ATOM 0 HD2 TYR A 529 21.094 9.043 16.705 1.00 0.00 H new ATOM 0 HE1 TYR A 529 22.081 13.573 18.543 1.00 0.00 H new ATOM 0 HE2 TYR A 529 23.022 9.366 18.240 1.00 0.00 H new ATOM 0 HH TYR A 529 24.148 10.773 19.522 1.00 0.00 H new ATOM 886 N ASN A 530 17.939 11.932 18.895 1.00 0.00 N ATOM 887 CA ASN A 530 17.908 11.700 20.343 1.00 0.00 C ATOM 888 C ASN A 530 16.594 11.058 20.838 1.00 0.00 C ATOM 889 O ASN A 530 16.612 10.357 21.853 1.00 0.00 O ATOM 890 CB ASN A 530 18.236 13.001 21.104 1.00 0.00 C ATOM 891 CG ASN A 530 17.015 13.811 21.525 1.00 0.00 C ATOM 892 OD1 ASN A 530 16.544 14.690 20.823 1.00 0.00 O ATOM 893 ND2 ASN A 530 16.458 13.528 22.682 1.00 0.00 N ATOM 0 H ASN A 530 18.014 12.916 18.638 1.00 0.00 H new ATOM 0 HA ASN A 530 18.683 10.965 20.560 1.00 0.00 H new ATOM 0 HB2 ASN A 530 18.815 12.751 21.993 1.00 0.00 H new ATOM 0 HB3 ASN A 530 18.871 13.625 20.475 1.00 0.00 H new ATOM 0 HD21 ASN A 530 15.634 14.043 22.991 1.00 0.00 H new ATOM 0 HD22 ASN A 530 16.850 12.793 23.271 1.00 0.00 H new ATOM 900 N ILE A 531 15.473 11.285 20.135 1.00 0.00 N ATOM 901 CA ILE A 531 14.173 10.669 20.456 1.00 0.00 C ATOM 902 C ILE A 531 13.904 9.409 19.623 1.00 0.00 C ATOM 903 O ILE A 531 12.860 8.792 19.808 1.00 0.00 O ATOM 904 CB ILE A 531 12.993 11.676 20.379 1.00 0.00 C ATOM 905 CG1 ILE A 531 12.564 11.984 18.925 1.00 0.00 C ATOM 906 CG2 ILE A 531 13.329 12.969 21.145 1.00 0.00 C ATOM 907 CD1 ILE A 531 11.444 13.022 18.796 1.00 0.00 C ATOM 0 H ILE A 531 15.441 11.903 19.324 1.00 0.00 H new ATOM 0 HA ILE A 531 14.241 10.354 21.497 1.00 0.00 H new ATOM 0 HB ILE A 531 12.138 11.200 20.859 1.00 0.00 H new ATOM 0 HG12 ILE A 531 13.434 12.337 18.371 1.00 0.00 H new ATOM 0 HG13 ILE A 531 12.239 11.057 18.452 1.00 0.00 H new ATOM 0 HG21 ILE A 531 12.489 13.660 21.078 1.00 0.00 H new ATOM 0 HG22 ILE A 531 13.522 12.732 22.191 1.00 0.00 H new ATOM 0 HG23 ILE A 531 14.215 13.431 20.708 1.00 0.00 H new ATOM 0 HD11 ILE A 531 11.209 13.175 17.743 1.00 0.00 H new ATOM 0 HD12 ILE A 531 10.556 12.666 19.318 1.00 0.00 H new ATOM 0 HD13 ILE A 531 11.769 13.965 19.235 1.00 0.00 H new ATOM 919 N LEU A 532 14.809 9.017 18.718 1.00 0.00 N ATOM 920 CA LEU A 532 14.653 7.835 17.865 1.00 0.00 C ATOM 921 C LEU A 532 15.554 6.685 18.349 1.00 0.00 C ATOM 922 O LEU A 532 16.774 6.842 18.448 1.00 0.00 O ATOM 923 CB LEU A 532 14.989 8.206 16.406 1.00 0.00 C ATOM 924 CG LEU A 532 14.165 9.356 15.791 1.00 0.00 C ATOM 925 CD1 LEU A 532 14.665 9.591 14.361 1.00 0.00 C ATOM 926 CD2 LEU A 532 12.660 9.087 15.760 1.00 0.00 C ATOM 0 H LEU A 532 15.682 9.520 18.556 1.00 0.00 H new ATOM 0 HA LEU A 532 13.619 7.495 17.921 1.00 0.00 H new ATOM 0 HB2 LEU A 532 16.044 8.474 16.355 1.00 0.00 H new ATOM 0 HB3 LEU A 532 14.855 7.319 15.787 1.00 0.00 H new ATOM 0 HG LEU A 532 14.306 10.232 16.424 1.00 0.00 H new ATOM 0 HD11 LEU A 532 14.096 10.401 13.905 1.00 0.00 H new ATOM 0 HD12 LEU A 532 15.722 9.858 14.384 1.00 0.00 H new ATOM 0 HD13 LEU A 532 14.533 8.681 13.775 1.00 0.00 H new ATOM 0 HD21 LEU A 532 12.147 9.939 15.314 1.00 0.00 H new ATOM 0 HD22 LEU A 532 12.462 8.194 15.167 1.00 0.00 H new ATOM 0 HD23 LEU A 532 12.296 8.936 16.776 1.00 0.00 H new ATOM 938 N THR A 533 14.970 5.504 18.583 1.00 0.00 N ATOM 939 CA THR A 533 15.715 4.280 18.936 1.00 0.00 C ATOM 940 C THR A 533 15.495 3.183 17.881 1.00 0.00 C ATOM 941 O THR A 533 14.367 3.034 17.393 1.00 0.00 O ATOM 942 CB THR A 533 15.379 3.802 20.366 1.00 0.00 C ATOM 943 OG1 THR A 533 16.176 2.700 20.732 1.00 0.00 O ATOM 944 CG2 THR A 533 13.934 3.361 20.580 1.00 0.00 C ATOM 0 H THR A 533 13.961 5.365 18.534 1.00 0.00 H new ATOM 0 HA THR A 533 16.779 4.518 18.935 1.00 0.00 H new ATOM 0 HB THR A 533 15.569 4.686 20.975 1.00 0.00 H new ATOM 0 HG1 THR A 533 15.946 2.417 21.642 1.00 0.00 H new ATOM 0 HG21 THR A 533 13.800 3.044 21.614 1.00 0.00 H new ATOM 0 HG22 THR A 533 13.264 4.194 20.366 1.00 0.00 H new ATOM 0 HG23 THR A 533 13.705 2.530 19.913 1.00 0.00 H new ATOM 952 N PRO A 534 16.538 2.417 17.492 1.00 0.00 N ATOM 953 CA PRO A 534 16.424 1.335 16.513 1.00 0.00 C ATOM 954 C PRO A 534 15.492 0.234 17.040 1.00 0.00 C ATOM 955 O PRO A 534 15.818 -0.453 18.011 1.00 0.00 O ATOM 956 CB PRO A 534 17.856 0.843 16.262 1.00 0.00 C ATOM 957 CG PRO A 534 18.600 1.212 17.544 1.00 0.00 C ATOM 958 CD PRO A 534 17.912 2.504 17.976 1.00 0.00 C ATOM 0 HA PRO A 534 15.977 1.665 15.575 1.00 0.00 H new ATOM 0 HB2 PRO A 534 17.883 -0.231 16.079 1.00 0.00 H new ATOM 0 HB3 PRO A 534 18.298 1.326 15.390 1.00 0.00 H new ATOM 0 HG2 PRO A 534 18.510 0.434 18.302 1.00 0.00 H new ATOM 0 HG3 PRO A 534 19.665 1.361 17.365 1.00 0.00 H new ATOM 0 HD2 PRO A 534 17.936 2.614 19.060 1.00 0.00 H new ATOM 0 HD3 PRO A 534 18.418 3.373 17.556 1.00 0.00 H new