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+ 180:sc= 0 (180deg=0) USER MOD Single : A 485 CYS SG : rot 180:sc= 0 USER MOD Single : A 486 ASN : amide:sc= -0.0148 X(o=-0.015,f=-0.11) 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) USER MOD Single : A 493 ASN : amide:sc= 0.976 K(o=0.98,f=-0.095) USER MOD Single : A 494 SER OG : rot 180:sc= 0 USER MOD Single : A 495 SER OG : rot 180:sc=3.67e-05 USER MOD Single : A 498 SER OG : rot 33:sc= 0.00453 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 180:sc= 0 USER MOD Single : A 513 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 516 LYS NZ :NH3+ 166:sc=-0.00331 (180deg=-0.116) USER MOD Single : A 523 GLN : amide:sc= 1.12 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 X(o=0,f=0) USER MOD Single : A 533 THR OG1 : rot 180:sc= -0.217 USER MOD ----------------------------------------------------------------- ATOM 74 N LYS A 481 14.241 2.431 7.385 1.00 0.00 N ATOM 75 CA LYS A 481 13.632 1.428 8.282 1.00 0.00 C ATOM 76 C LYS A 481 12.723 2.071 9.329 1.00 0.00 C ATOM 77 O LYS A 481 12.609 3.295 9.420 1.00 0.00 O ATOM 78 CB LYS A 481 14.731 0.586 8.979 1.00 0.00 C ATOM 79 CG LYS A 481 14.406 -0.917 8.894 1.00 0.00 C ATOM 80 CD LYS A 481 15.240 -1.764 9.867 1.00 0.00 C ATOM 81 CE LYS A 481 14.765 -1.696 11.332 1.00 0.00 C ATOM 82 NZ LYS A 481 13.499 -2.455 11.559 1.00 0.00 N ATOM 0 HA LYS A 481 13.015 0.776 7.664 1.00 0.00 H new ATOM 0 HB2 LYS A 481 15.696 0.781 8.511 1.00 0.00 H new ATOM 0 HB3 LYS A 481 14.817 0.885 10.024 1.00 0.00 H new ATOM 0 HG2 LYS A 481 13.347 -1.067 9.105 1.00 0.00 H new ATOM 0 HG3 LYS A 481 14.581 -1.265 7.876 1.00 0.00 H new ATOM 0 HD2 LYS A 481 15.218 -2.803 9.538 1.00 0.00 H new ATOM 0 HD3 LYS A 481 16.278 -1.436 9.818 1.00 0.00 H new ATOM 0 HE2 LYS A 481 15.545 -2.093 11.982 1.00 0.00 H new ATOM 0 HE3 LYS A 481 14.615 -0.654 11.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 13.222 -2.378 12.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 12.746 -2.061 10.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 13.646 -3.456 11.317 1.00 0.00 H new ATOM 96 N TRP A 482 12.094 1.218 10.133 1.00 0.00 N ATOM 97 CA TRP A 482 11.234 1.594 11.250 1.00 0.00 C ATOM 98 C TRP A 482 12.064 1.891 12.505 1.00 0.00 C ATOM 99 O TRP A 482 12.986 1.140 12.843 1.00 0.00 O ATOM 100 CB TRP A 482 10.227 0.462 11.530 1.00 0.00 C ATOM 101 CG TRP A 482 9.851 -0.421 10.375 1.00 0.00 C ATOM 102 CD1 TRP A 482 9.879 -1.774 10.375 1.00 0.00 C ATOM 103 CD2 TRP A 482 9.428 -0.033 9.032 1.00 0.00 C ATOM 104 NE1 TRP A 482 9.533 -2.247 9.123 1.00 0.00 N ATOM 105 CE2 TRP A 482 9.254 -1.216 8.251 1.00 0.00 C ATOM 106 CE3 TRP A 482 9.205 1.203 8.393 1.00 0.00 C ATOM 107 CZ2 TRP A 482 8.882 -1.175 6.900 1.00 0.00 C ATOM 108 CZ3 TRP A 482 8.862 1.254 7.029 1.00 0.00 C ATOM 109 CH2 TRP A 482 8.690 0.074 6.284 1.00 0.00 C ATOM 0 H TRP A 482 12.173 0.207 10.019 1.00 0.00 H new ATOM 0 HA TRP A 482 10.692 2.501 10.984 1.00 0.00 H new ATOM 0 HB2 TRP A 482 10.638 -0.169 12.318 1.00 0.00 H new ATOM 0 HB3 TRP A 482 9.315 0.910 11.924 1.00 0.00 H new ATOM 0 HD1 TRP A 482 10.133 -2.391 11.224 1.00 0.00 H new ATOM 0 HE1 TRP A 482 9.490 -3.235 8.875 1.00 0.00 H new ATOM 0 HE3 TRP A 482 9.298 2.120 8.956 1.00 0.00 H new ATOM 0 HZ2 TRP A 482 8.745 -2.089 6.341 1.00 0.00 H new ATOM 0 HZ3 TRP A 482 8.729 2.212 6.548 1.00 0.00 H new ATOM 0 HH2 TRP A 482 8.411 0.127 5.242 1.00 0.00 H new ATOM 120 N VAL A 483 11.689 2.941 13.233 1.00 0.00 N ATOM 121 CA VAL A 483 12.227 3.282 14.561 1.00 0.00 C ATOM 122 C VAL A 483 11.098 3.692 15.497 1.00 0.00 C ATOM 123 O VAL A 483 10.117 4.308 15.077 1.00 0.00 O ATOM 124 CB VAL A 483 13.287 4.399 14.510 1.00 0.00 C ATOM 125 CG1 VAL A 483 14.548 3.947 13.770 1.00 0.00 C ATOM 126 CG2 VAL A 483 12.761 5.705 13.905 1.00 0.00 C ATOM 0 H VAL A 483 10.982 3.602 12.911 1.00 0.00 H new ATOM 0 HA VAL A 483 12.719 2.385 14.937 1.00 0.00 H new ATOM 0 HB VAL A 483 13.542 4.606 15.549 1.00 0.00 H new ATOM 0 HG11 VAL A 483 15.272 4.761 13.755 1.00 0.00 H new ATOM 0 HG12 VAL A 483 14.980 3.086 14.280 1.00 0.00 H new ATOM 0 HG13 VAL A 483 14.291 3.671 12.747 1.00 0.00 H new ATOM 0 HG21 VAL A 483 13.557 6.450 13.899 1.00 0.00 H new ATOM 0 HG22 VAL A 483 12.425 5.524 12.884 1.00 0.00 H new ATOM 0 HG23 VAL A 483 11.926 6.072 14.502 1.00 0.00 H new ATOM 136 N LEU A 484 11.253 3.340 16.768 1.00 0.00 N ATOM 137 CA LEU A 484 10.373 3.714 17.866 1.00 0.00 C ATOM 138 C LEU A 484 10.791 5.089 18.413 1.00 0.00 C ATOM 139 O LEU A 484 11.969 5.453 18.426 1.00 0.00 O ATOM 140 CB LEU A 484 10.457 2.578 18.905 1.00 0.00 C ATOM 141 CG LEU A 484 9.703 2.782 20.230 1.00 0.00 C ATOM 142 CD1 LEU A 484 8.195 2.878 19.997 1.00 0.00 C ATOM 143 CD2 LEU A 484 9.970 1.606 21.168 1.00 0.00 C ATOM 0 H LEU A 484 12.033 2.758 17.074 1.00 0.00 H new ATOM 0 HA LEU A 484 9.333 3.825 17.558 1.00 0.00 H new ATOM 0 HB2 LEU A 484 10.083 1.666 18.440 1.00 0.00 H new ATOM 0 HB3 LEU A 484 11.509 2.409 19.137 1.00 0.00 H new ATOM 0 HG LEU A 484 10.059 3.712 20.673 1.00 0.00 H new ATOM 0 HD11 LEU A 484 7.688 3.022 20.951 1.00 0.00 H new ATOM 0 HD12 LEU A 484 7.981 3.722 19.341 1.00 0.00 H new ATOM 0 HD13 LEU A 484 7.839 1.958 19.532 1.00 0.00 H new ATOM 0 HD21 LEU A 484 9.433 1.758 22.104 1.00 0.00 H new ATOM 0 HD22 LEU A 484 9.629 0.683 20.700 1.00 0.00 H new ATOM 0 HD23 LEU A 484 11.039 1.537 21.370 1.00 0.00 H new ATOM 155 N CYS A 485 9.812 5.852 18.887 1.00 0.00 N ATOM 156 CA CYS A 485 10.012 7.123 19.572 1.00 0.00 C ATOM 157 C CYS A 485 10.156 6.907 21.090 1.00 0.00 C ATOM 158 O CYS A 485 9.211 6.473 21.753 1.00 0.00 O ATOM 159 CB CYS A 485 8.820 8.019 19.219 1.00 0.00 C ATOM 160 SG CYS A 485 9.077 8.747 17.578 1.00 0.00 S ATOM 0 H CYS A 485 8.829 5.595 18.802 1.00 0.00 H new ATOM 0 HA CYS A 485 10.936 7.604 19.251 1.00 0.00 H new ATOM 0 HB2 CYS A 485 7.898 7.437 19.230 1.00 0.00 H new ATOM 0 HB3 CYS A 485 8.710 8.806 19.965 1.00 0.00 H new ATOM 0 HG CYS A 485 8.065 9.506 17.276 1.00 0.00 H new ATOM 166 N ASN A 486 11.326 7.224 21.653 1.00 0.00 N ATOM 167 CA ASN A 486 11.576 7.229 23.101 1.00 0.00 C ATOM 168 C ASN A 486 10.894 8.409 23.830 1.00 0.00 C ATOM 169 O ASN A 486 10.512 8.273 24.994 1.00 0.00 O ATOM 170 CB ASN A 486 13.100 7.277 23.351 1.00 0.00 C ATOM 171 CG ASN A 486 13.667 5.975 23.885 1.00 0.00 C ATOM 172 OD1 ASN A 486 13.129 5.338 24.781 1.00 0.00 O ATOM 173 ND2 ASN A 486 14.793 5.547 23.362 1.00 0.00 N ATOM 0 H ASN A 486 12.144 7.490 21.105 1.00 0.00 H new ATOM 0 HA ASN A 486 11.143 6.315 23.508 1.00 0.00 H new ATOM 0 HB2 ASN A 486 13.605 7.529 22.419 1.00 0.00 H new ATOM 0 HB3 ASN A 486 13.319 8.077 24.058 1.00 0.00 H new ATOM 0 HD21 ASN A 486 15.218 4.685 23.703 1.00 0.00 H new ATOM 0 HD22 ASN A 486 15.242 6.077 22.615 1.00 0.00 H new ATOM 180 N TYR A 487 10.728 9.550 23.146 1.00 0.00 N ATOM 181 CA TYR A 487 10.165 10.803 23.681 1.00 0.00 C ATOM 182 C TYR A 487 9.251 11.484 22.644 1.00 0.00 C ATOM 183 O TYR A 487 9.284 11.154 21.455 1.00 0.00 O ATOM 184 CB TYR A 487 11.290 11.755 24.124 1.00 0.00 C ATOM 185 CG TYR A 487 12.302 11.149 25.083 1.00 0.00 C ATOM 186 CD1 TYR A 487 11.967 10.942 26.436 1.00 0.00 C ATOM 187 CD2 TYR A 487 13.571 10.764 24.610 1.00 0.00 C ATOM 188 CE1 TYR A 487 12.895 10.336 27.306 1.00 0.00 C ATOM 189 CE2 TYR A 487 14.501 10.156 25.473 1.00 0.00 C ATOM 190 CZ TYR A 487 14.162 9.937 26.827 1.00 0.00 C ATOM 191 OH TYR A 487 15.045 9.337 27.672 1.00 0.00 O ATOM 0 H TYR A 487 10.993 9.631 22.164 1.00 0.00 H new ATOM 0 HA TYR A 487 9.559 10.557 24.553 1.00 0.00 H new ATOM 0 HB2 TYR A 487 11.817 12.108 23.238 1.00 0.00 H new ATOM 0 HB3 TYR A 487 10.841 12.629 24.597 1.00 0.00 H new ATOM 0 HD1 TYR A 487 10.999 11.248 26.806 1.00 0.00 H new ATOM 0 HD2 TYR A 487 13.833 10.937 23.576 1.00 0.00 H new ATOM 0 HE1 TYR A 487 12.636 10.176 28.342 1.00 0.00 H new ATOM 0 HE2 TYR A 487 15.470 9.858 25.102 1.00 0.00 H new ATOM 0 HH TYR A 487 15.869 9.124 27.186 1.00 0.00 H new ATOM 201 N ASP A 488 8.422 12.428 23.091 1.00 0.00 N ATOM 202 CA ASP A 488 7.544 13.243 22.238 1.00 0.00 C ATOM 203 C ASP A 488 8.212 14.551 21.757 1.00 0.00 C ATOM 204 O ASP A 488 9.199 15.016 22.336 1.00 0.00 O ATOM 205 CB ASP A 488 6.229 13.537 22.980 1.00 0.00 C ATOM 206 CG ASP A 488 6.370 14.542 24.140 1.00 0.00 C ATOM 207 OD1 ASP A 488 7.173 14.301 25.073 1.00 0.00 O ATOM 208 OD2 ASP A 488 5.640 15.564 24.140 1.00 0.00 O ATOM 0 H ASP A 488 8.337 12.656 24.082 1.00 0.00 H new ATOM 0 HA ASP A 488 7.335 12.664 21.338 1.00 0.00 H new ATOM 0 HB2 ASP A 488 5.501 13.922 22.267 1.00 0.00 H new ATOM 0 HB3 ASP A 488 5.828 12.602 23.371 1.00 0.00 H new ATOM 213 N PHE A 489 7.659 15.159 20.700 1.00 0.00 N ATOM 214 CA PHE A 489 8.145 16.406 20.088 1.00 0.00 C ATOM 215 C PHE A 489 7.042 17.107 19.261 1.00 0.00 C ATOM 216 O PHE A 489 6.090 16.468 18.810 1.00 0.00 O ATOM 217 CB PHE A 489 9.358 16.057 19.207 1.00 0.00 C ATOM 218 CG PHE A 489 10.036 17.232 18.532 1.00 0.00 C ATOM 219 CD1 PHE A 489 10.579 18.280 19.302 1.00 0.00 C ATOM 220 CD2 PHE A 489 10.108 17.282 17.129 1.00 0.00 C ATOM 221 CE1 PHE A 489 11.174 19.386 18.667 1.00 0.00 C ATOM 222 CE2 PHE A 489 10.728 18.373 16.495 1.00 0.00 C ATOM 223 CZ PHE A 489 11.257 19.423 17.264 1.00 0.00 C ATOM 0 H PHE A 489 6.834 14.786 20.231 1.00 0.00 H new ATOM 0 HA PHE A 489 8.434 17.108 20.870 1.00 0.00 H new ATOM 0 HB2 PHE A 489 10.094 15.540 19.822 1.00 0.00 H new ATOM 0 HB3 PHE A 489 9.036 15.355 18.438 1.00 0.00 H new ATOM 0 HD1 PHE A 489 10.538 18.234 20.380 1.00 0.00 H new ATOM 0 HD2 PHE A 489 9.687 16.482 16.538 1.00 0.00 H new ATOM 0 HE1 PHE A 489 11.565 20.203 19.255 1.00 0.00 H new ATOM 0 HE2 PHE A 489 10.798 18.404 15.418 1.00 0.00 H new ATOM 0 HZ PHE A 489 11.729 20.262 16.775 1.00 0.00 H new ATOM 233 N GLN A 490 7.183 18.415 19.013 1.00 0.00 N ATOM 234 CA GLN A 490 6.238 19.223 18.224 1.00 0.00 C ATOM 235 C GLN A 490 6.946 19.950 17.077 1.00 0.00 C ATOM 236 O GLN A 490 8.058 20.452 17.237 1.00 0.00 O ATOM 237 CB GLN A 490 5.533 20.256 19.120 1.00 0.00 C ATOM 238 CG GLN A 490 4.544 19.615 20.102 1.00 0.00 C ATOM 239 CD GLN A 490 3.685 20.670 20.801 1.00 0.00 C ATOM 240 OE1 GLN A 490 2.497 20.819 20.535 1.00 0.00 O ATOM 241 NE2 GLN A 490 4.239 21.455 21.702 1.00 0.00 N ATOM 0 H GLN A 490 7.974 18.955 19.362 1.00 0.00 H new ATOM 0 HA GLN A 490 5.500 18.540 17.802 1.00 0.00 H new ATOM 0 HB2 GLN A 490 6.282 20.816 19.680 1.00 0.00 H new ATOM 0 HB3 GLN A 490 5.002 20.972 18.493 1.00 0.00 H new ATOM 0 HG2 GLN A 490 3.901 18.916 19.568 1.00 0.00 H new ATOM 0 HG3 GLN A 490 5.092 19.038 20.847 1.00 0.00 H new ATOM 0 HE21 GLN A 490 5.226 21.346 21.936 1.00 0.00 H new ATOM 0 HE22 GLN A 490 3.681 22.172 22.166 1.00 0.00 H new ATOM 250 N ALA A 491 6.271 20.063 15.929 1.00 0.00 N ATOM 251 CA ALA A 491 6.783 20.823 14.795 1.00 0.00 C ATOM 252 C ALA A 491 6.561 22.323 15.029 1.00 0.00 C ATOM 253 O ALA A 491 5.418 22.781 15.141 1.00 0.00 O ATOM 254 CB ALA A 491 6.119 20.368 13.493 1.00 0.00 C ATOM 0 H ALA A 491 5.361 19.632 15.764 1.00 0.00 H new ATOM 0 HA ALA A 491 7.854 20.640 14.703 1.00 0.00 H new ATOM 0 HB1 ALA A 491 6.516 20.948 12.660 1.00 0.00 H new ATOM 0 HB2 ALA A 491 6.326 19.310 13.329 1.00 0.00 H new ATOM 0 HB3 ALA A 491 5.042 20.521 13.561 1.00 0.00 H new ATOM 260 N ARG A 492 7.653 23.090 15.081 1.00 0.00 N ATOM 261 CA ARG A 492 7.615 24.560 15.199 1.00 0.00 C ATOM 262 C ARG A 492 7.815 25.252 13.841 1.00 0.00 C ATOM 263 O ARG A 492 7.626 26.466 13.738 1.00 0.00 O ATOM 264 CB ARG A 492 8.612 25.030 16.280 1.00 0.00 C ATOM 265 CG ARG A 492 8.461 24.246 17.603 1.00 0.00 C ATOM 266 CD ARG A 492 9.571 23.207 17.839 1.00 0.00 C ATOM 267 NE ARG A 492 10.748 23.801 18.506 1.00 0.00 N ATOM 268 CZ ARG A 492 10.917 23.971 19.807 1.00 0.00 C ATOM 269 NH1 ARG A 492 10.018 23.613 20.686 1.00 0.00 N ATOM 270 NH2 ARG A 492 12.007 24.518 20.266 1.00 0.00 N ATOM 0 H ARG A 492 8.599 22.710 15.042 1.00 0.00 H new ATOM 0 HA ARG A 492 6.619 24.860 15.526 1.00 0.00 H new ATOM 0 HB2 ARG A 492 9.629 24.914 15.907 1.00 0.00 H new ATOM 0 HB3 ARG A 492 8.462 26.092 16.471 1.00 0.00 H new ATOM 0 HG2 ARG A 492 8.454 24.952 18.434 1.00 0.00 H new ATOM 0 HG3 ARG A 492 7.496 23.740 17.606 1.00 0.00 H new ATOM 0 HD2 ARG A 492 9.181 22.391 18.448 1.00 0.00 H new ATOM 0 HD3 ARG A 492 9.874 22.776 16.885 1.00 0.00 H new ATOM 0 HE ARG A 492 11.508 24.112 17.901 1.00 0.00 H new ATOM 0 HH11 ARG A 492 9.145 23.184 20.377 1.00 0.00 H new ATOM 0 HH12 ARG A 492 10.189 23.762 21.680 1.00 0.00 H new ATOM 0 HH21 ARG A 492 12.738 24.819 19.621 1.00 0.00 H new ATOM 0 HH22 ARG A 492 12.130 24.646 21.271 1.00 0.00 H new ATOM 284 N ASN A 493 8.134 24.474 12.798 1.00 0.00 N ATOM 285 CA ASN A 493 8.341 24.917 11.407 1.00 0.00 C ATOM 286 C ASN A 493 7.953 23.808 10.403 1.00 0.00 C ATOM 287 O ASN A 493 7.826 22.640 10.774 1.00 0.00 O ATOM 288 CB ASN A 493 9.823 25.302 11.199 1.00 0.00 C ATOM 289 CG ASN A 493 10.280 26.486 12.033 1.00 0.00 C ATOM 290 OD1 ASN A 493 10.129 27.641 11.651 1.00 0.00 O ATOM 291 ND2 ASN A 493 10.869 26.241 13.182 1.00 0.00 N ATOM 0 H ASN A 493 8.262 23.468 12.904 1.00 0.00 H new ATOM 0 HA ASN A 493 7.702 25.782 11.228 1.00 0.00 H new ATOM 0 HB2 ASN A 493 10.448 24.441 11.437 1.00 0.00 H new ATOM 0 HB3 ASN A 493 9.983 25.530 10.145 1.00 0.00 H new ATOM 0 HD21 ASN A 493 11.202 27.013 13.759 1.00 0.00 H new ATOM 0 HD22 ASN A 493 10.993 25.279 13.497 1.00 0.00 H new ATOM 298 N SER A 494 7.829 24.151 9.114 1.00 0.00 N ATOM 299 CA SER A 494 7.539 23.184 8.031 1.00 0.00 C ATOM 300 C SER A 494 8.688 22.201 7.745 1.00 0.00 C ATOM 301 O SER A 494 8.463 21.141 7.161 1.00 0.00 O ATOM 302 CB SER A 494 7.202 23.902 6.720 1.00 0.00 C ATOM 303 OG SER A 494 6.310 24.989 6.924 1.00 0.00 O ATOM 0 H SER A 494 7.927 25.111 8.785 1.00 0.00 H new ATOM 0 HA SER A 494 6.685 22.613 8.397 1.00 0.00 H new ATOM 0 HB2 SER A 494 8.120 24.268 6.260 1.00 0.00 H new ATOM 0 HB3 SER A 494 6.756 23.193 6.022 1.00 0.00 H new ATOM 0 HG SER A 494 6.121 25.422 6.066 1.00 0.00 H new ATOM 309 N SER A 495 9.921 22.548 8.138 1.00 0.00 N ATOM 310 CA SER A 495 11.114 21.693 8.003 1.00 0.00 C ATOM 311 C SER A 495 11.182 20.534 9.002 1.00 0.00 C ATOM 312 O SER A 495 11.983 19.617 8.835 1.00 0.00 O ATOM 313 CB SER A 495 12.386 22.542 8.122 1.00 0.00 C ATOM 314 OG SER A 495 12.383 23.271 9.340 1.00 0.00 O ATOM 0 H SER A 495 10.124 23.450 8.568 1.00 0.00 H new ATOM 0 HA SER A 495 11.037 21.240 7.015 1.00 0.00 H new ATOM 0 HB2 SER A 495 13.265 21.899 8.078 1.00 0.00 H new ATOM 0 HB3 SER A 495 12.452 23.230 7.279 1.00 0.00 H new ATOM 0 HG SER A 495 13.201 23.807 9.403 1.00 0.00 H new ATOM 320 N GLU A 496 10.321 20.543 10.013 1.00 0.00 N ATOM 321 CA GLU A 496 10.239 19.571 11.098 1.00 0.00 C ATOM 322 C GLU A 496 8.812 19.007 11.232 1.00 0.00 C ATOM 323 O GLU A 496 7.911 19.339 10.455 1.00 0.00 O ATOM 324 CB GLU A 496 10.777 20.185 12.405 1.00 0.00 C ATOM 325 CG GLU A 496 10.189 21.556 12.765 1.00 0.00 C ATOM 326 CD GLU A 496 10.975 22.287 13.877 1.00 0.00 C ATOM 327 OE1 GLU A 496 11.739 21.655 14.642 1.00 0.00 O ATOM 328 OE2 GLU A 496 10.824 23.527 13.986 1.00 0.00 O ATOM 0 H GLU A 496 9.617 21.275 10.103 1.00 0.00 H new ATOM 0 HA GLU A 496 10.876 18.718 10.864 1.00 0.00 H new ATOM 0 HB2 GLU A 496 10.576 19.494 13.224 1.00 0.00 H new ATOM 0 HB3 GLU A 496 11.860 20.280 12.326 1.00 0.00 H new ATOM 0 HG2 GLU A 496 10.170 22.181 11.872 1.00 0.00 H new ATOM 0 HG3 GLU A 496 9.155 21.427 13.085 1.00 0.00 H new ATOM 335 N LEU A 497 8.625 18.106 12.194 1.00 0.00 N ATOM 336 CA LEU A 497 7.401 17.322 12.390 1.00 0.00 C ATOM 337 C LEU A 497 7.091 17.067 13.871 1.00 0.00 C ATOM 338 O LEU A 497 7.966 17.140 14.732 1.00 0.00 O ATOM 339 CB LEU A 497 7.543 15.967 11.667 1.00 0.00 C ATOM 340 CG LEU A 497 7.486 16.005 10.133 1.00 0.00 C ATOM 341 CD1 LEU A 497 7.770 14.593 9.631 1.00 0.00 C ATOM 342 CD2 LEU A 497 6.126 16.450 9.593 1.00 0.00 C ATOM 0 H LEU A 497 9.345 17.892 12.884 1.00 0.00 H new ATOM 0 HA LEU A 497 6.576 17.903 11.977 1.00 0.00 H new ATOM 0 HB2 LEU A 497 8.492 15.519 11.963 1.00 0.00 H new ATOM 0 HB3 LEU A 497 6.753 15.305 12.022 1.00 0.00 H new ATOM 0 HG LEU A 497 8.220 16.732 9.784 1.00 0.00 H new ATOM 0 HD11 LEU A 497 7.738 14.581 8.542 1.00 0.00 H new ATOM 0 HD12 LEU A 497 8.758 14.279 9.968 1.00 0.00 H new ATOM 0 HD13 LEU A 497 7.018 13.909 10.024 1.00 0.00 H new ATOM 0 HD21 LEU A 497 6.151 16.456 8.503 1.00 0.00 H new ATOM 0 HD22 LEU A 497 5.355 15.759 9.934 1.00 0.00 H new ATOM 0 HD23 LEU A 497 5.901 17.453 9.956 1.00 0.00 H new ATOM 354 N SER A 498 5.826 16.740 14.144 1.00 0.00 N ATOM 355 CA SER A 498 5.307 16.412 15.473 1.00 0.00 C ATOM 356 C SER A 498 5.123 14.901 15.622 1.00 0.00 C ATOM 357 O SER A 498 4.507 14.240 14.780 1.00 0.00 O ATOM 358 CB SER A 498 3.988 17.159 15.727 1.00 0.00 C ATOM 359 OG SER A 498 3.035 16.946 14.695 1.00 0.00 O ATOM 0 H SER A 498 5.109 16.695 13.419 1.00 0.00 H new ATOM 0 HA SER A 498 6.031 16.734 16.221 1.00 0.00 H new ATOM 0 HB2 SER A 498 3.567 16.834 16.678 1.00 0.00 H new ATOM 0 HB3 SER A 498 4.190 18.226 15.816 1.00 0.00 H new ATOM 0 HG SER A 498 3.146 16.044 14.328 1.00 0.00 H new ATOM 365 N VAL A 499 5.686 14.346 16.698 1.00 0.00 N ATOM 366 CA VAL A 499 5.662 12.905 17.003 1.00 0.00 C ATOM 367 C VAL A 499 5.491 12.673 18.502 1.00 0.00 C ATOM 368 O VAL A 499 5.681 13.581 19.314 1.00 0.00 O ATOM 369 CB VAL A 499 6.929 12.179 16.485 1.00 0.00 C ATOM 370 CG1 VAL A 499 7.215 12.484 15.007 1.00 0.00 C ATOM 371 CG2 VAL A 499 8.198 12.508 17.281 1.00 0.00 C ATOM 0 H VAL A 499 6.183 14.894 17.400 1.00 0.00 H new ATOM 0 HA VAL A 499 4.805 12.481 16.480 1.00 0.00 H new ATOM 0 HB VAL A 499 6.694 11.123 16.615 1.00 0.00 H new ATOM 0 HG11 VAL A 499 8.113 11.952 14.693 1.00 0.00 H new ATOM 0 HG12 VAL A 499 6.370 12.161 14.399 1.00 0.00 H new ATOM 0 HG13 VAL A 499 7.366 13.556 14.879 1.00 0.00 H new ATOM 0 HG21 VAL A 499 9.043 11.963 16.860 1.00 0.00 H new ATOM 0 HG22 VAL A 499 8.394 13.579 17.227 1.00 0.00 H new ATOM 0 HG23 VAL A 499 8.060 12.216 18.322 1.00 0.00 H new ATOM 381 N LYS A 500 5.161 11.442 18.888 1.00 0.00 N ATOM 382 CA LYS A 500 4.900 11.073 20.288 1.00 0.00 C ATOM 383 C LYS A 500 5.698 9.830 20.656 1.00 0.00 C ATOM 384 O LYS A 500 5.961 8.980 19.809 1.00 0.00 O ATOM 385 CB LYS A 500 3.392 10.865 20.530 1.00 0.00 C ATOM 386 CG LYS A 500 2.524 11.969 19.901 1.00 0.00 C ATOM 387 CD LYS A 500 1.049 11.839 20.298 1.00 0.00 C ATOM 388 CE LYS A 500 0.166 12.685 19.367 1.00 0.00 C ATOM 389 NZ LYS A 500 -0.089 12.005 18.066 1.00 0.00 N ATOM 0 H LYS A 500 5.065 10.663 18.237 1.00 0.00 H new ATOM 0 HA LYS A 500 5.223 11.890 20.933 1.00 0.00 H new ATOM 0 HB2 LYS A 500 3.094 9.899 20.122 1.00 0.00 H new ATOM 0 HB3 LYS A 500 3.203 10.829 21.603 1.00 0.00 H new ATOM 0 HG2 LYS A 500 2.898 12.945 20.212 1.00 0.00 H new ATOM 0 HG3 LYS A 500 2.612 11.925 18.815 1.00 0.00 H new ATOM 0 HD2 LYS A 500 0.743 10.794 20.249 1.00 0.00 H new ATOM 0 HD3 LYS A 500 0.914 12.162 21.330 1.00 0.00 H new ATOM 0 HE2 LYS A 500 -0.784 12.893 19.859 1.00 0.00 H new ATOM 0 HE3 LYS A 500 0.648 13.646 19.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 500 -0.688 12.611 17.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 500 0.815 11.829 17.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 500 -0.572 11.100 18.236 1.00 0.00 H new ATOM 403 N GLN A 501 6.082 9.716 21.924 1.00 0.00 N ATOM 404 CA GLN A 501 6.677 8.486 22.445 1.00 0.00 C ATOM 405 C GLN A 501 5.755 7.274 22.250 1.00 0.00 C ATOM 406 O GLN A 501 4.527 7.399 22.218 1.00 0.00 O ATOM 407 CB GLN A 501 7.115 8.649 23.907 1.00 0.00 C ATOM 408 CG GLN A 501 6.029 9.223 24.834 1.00 0.00 C ATOM 409 CD GLN A 501 6.407 9.108 26.311 1.00 0.00 C ATOM 410 OE1 GLN A 501 6.660 8.031 26.838 1.00 0.00 O ATOM 411 NE2 GLN A 501 6.443 10.201 27.046 1.00 0.00 N ATOM 0 H GLN A 501 5.992 10.463 22.613 1.00 0.00 H new ATOM 0 HA GLN A 501 7.576 8.289 21.861 1.00 0.00 H new ATOM 0 HB2 GLN A 501 7.427 7.678 24.291 1.00 0.00 H new ATOM 0 HB3 GLN A 501 7.988 9.301 23.942 1.00 0.00 H new ATOM 0 HG2 GLN A 501 5.859 10.270 24.585 1.00 0.00 H new ATOM 0 HG3 GLN A 501 5.090 8.697 24.659 1.00 0.00 H new ATOM 0 HE21 GLN A 501 6.235 11.106 26.624 1.00 0.00 H new ATOM 0 HE22 GLN A 501 6.679 10.142 28.037 1.00 0.00 H new ATOM 420 N ARG A 502 6.379 6.095 22.140 1.00 0.00 N ATOM 421 CA ARG A 502 5.741 4.792 21.881 1.00 0.00 C ATOM 422 C ARG A 502 5.093 4.663 20.484 1.00 0.00 C ATOM 423 O ARG A 502 4.303 3.744 20.257 1.00 0.00 O ATOM 424 CB ARG A 502 4.770 4.403 23.018 1.00 0.00 C ATOM 425 CG ARG A 502 5.220 4.708 24.459 1.00 0.00 C ATOM 426 CD ARG A 502 6.546 4.044 24.848 1.00 0.00 C ATOM 427 NE ARG A 502 6.862 4.295 26.267 1.00 0.00 N ATOM 428 CZ ARG A 502 7.982 3.987 26.897 1.00 0.00 C ATOM 429 NH1 ARG A 502 8.991 3.423 26.290 1.00 0.00 N ATOM 430 NH2 ARG A 502 8.112 4.236 28.170 1.00 0.00 N ATOM 0 H ARG A 502 7.392 6.016 22.233 1.00 0.00 H new ATOM 0 HA ARG A 502 6.554 4.066 21.871 1.00 0.00 H new ATOM 0 HB2 ARG A 502 3.823 4.914 22.844 1.00 0.00 H new ATOM 0 HB3 ARG A 502 4.573 3.333 22.944 1.00 0.00 H new ATOM 0 HG2 ARG A 502 5.316 5.787 24.579 1.00 0.00 H new ATOM 0 HG3 ARG A 502 4.443 4.379 25.149 1.00 0.00 H new ATOM 0 HD2 ARG A 502 6.487 2.971 24.669 1.00 0.00 H new ATOM 0 HD3 ARG A 502 7.349 4.428 24.219 1.00 0.00 H new ATOM 0 HE ARG A 502 6.139 4.755 26.821 1.00 0.00 H new ATOM 0 HH11 ARG A 502 8.931 3.205 25.295 1.00 0.00 H new ATOM 0 HH12 ARG A 502 9.839 3.200 26.810 1.00 0.00 H new ATOM 0 HH21 ARG A 502 7.347 4.671 28.685 1.00 0.00 H new ATOM 0 HH22 ARG A 502 8.979 3.996 28.651 1.00 0.00 H new ATOM 444 N ASP A 503 5.447 5.546 19.544 1.00 0.00 N ATOM 445 CA ASP A 503 5.025 5.483 18.131 1.00 0.00 C ATOM 446 C ASP A 503 6.167 4.960 17.246 1.00 0.00 C ATOM 447 O ASP A 503 7.337 5.084 17.612 1.00 0.00 O ATOM 448 CB ASP A 503 4.609 6.874 17.611 1.00 0.00 C ATOM 449 CG ASP A 503 3.257 7.400 18.129 1.00 0.00 C ATOM 450 OD1 ASP A 503 2.502 6.665 18.813 1.00 0.00 O ATOM 451 OD2 ASP A 503 2.905 8.553 17.777 1.00 0.00 O ATOM 0 H ASP A 503 6.049 6.345 19.744 1.00 0.00 H new ATOM 0 HA ASP A 503 4.173 4.805 18.081 1.00 0.00 H new ATOM 0 HB2 ASP A 503 5.385 7.590 17.881 1.00 0.00 H new ATOM 0 HB3 ASP A 503 4.572 6.839 16.522 1.00 0.00 H new ATOM 456 N VAL A 504 5.843 4.440 16.055 1.00 0.00 N ATOM 457 CA VAL A 504 6.823 3.935 15.075 1.00 0.00 C ATOM 458 C VAL A 504 6.744 4.747 13.777 1.00 0.00 C ATOM 459 O VAL A 504 5.648 5.003 13.268 1.00 0.00 O ATOM 460 CB VAL A 504 6.635 2.426 14.803 1.00 0.00 C ATOM 461 CG1 VAL A 504 7.732 1.876 13.882 1.00 0.00 C ATOM 462 CG2 VAL A 504 6.665 1.607 16.100 1.00 0.00 C ATOM 0 H VAL A 504 4.878 4.355 15.737 1.00 0.00 H new ATOM 0 HA VAL A 504 7.819 4.060 15.501 1.00 0.00 H new ATOM 0 HB VAL A 504 5.661 2.330 14.324 1.00 0.00 H new ATOM 0 HG11 VAL A 504 7.566 0.812 13.714 1.00 0.00 H new ATOM 0 HG12 VAL A 504 7.704 2.403 12.928 1.00 0.00 H new ATOM 0 HG13 VAL A 504 8.706 2.022 14.349 1.00 0.00 H new ATOM 0 HG21 VAL A 504 6.529 0.551 15.867 1.00 0.00 H new ATOM 0 HG22 VAL A 504 7.624 1.748 16.598 1.00 0.00 H new ATOM 0 HG23 VAL A 504 5.862 1.939 16.759 1.00 0.00 H new ATOM 472 N LEU A 505 7.903 5.143 13.236 1.00 0.00 N ATOM 473 CA LEU A 505 8.038 6.021 12.061 1.00 0.00 C ATOM 474 C LEU A 505 9.012 5.426 11.035 1.00 0.00 C ATOM 475 O LEU A 505 9.996 4.777 11.398 1.00 0.00 O ATOM 476 CB LEU A 505 8.531 7.421 12.482 1.00 0.00 C ATOM 477 CG LEU A 505 7.751 8.088 13.631 1.00 0.00 C ATOM 478 CD1 LEU A 505 8.495 9.335 14.082 1.00 0.00 C ATOM 479 CD2 LEU A 505 6.341 8.524 13.217 1.00 0.00 C ATOM 0 H LEU A 505 8.804 4.853 13.615 1.00 0.00 H new ATOM 0 HA LEU A 505 7.053 6.108 11.602 1.00 0.00 H new ATOM 0 HB2 LEU A 505 9.578 7.344 12.775 1.00 0.00 H new ATOM 0 HB3 LEU A 505 8.491 8.077 11.612 1.00 0.00 H new ATOM 0 HG LEU A 505 7.667 7.346 14.425 1.00 0.00 H new ATOM 0 HD11 LEU A 505 7.947 9.811 14.895 1.00 0.00 H new ATOM 0 HD12 LEU A 505 9.491 9.059 14.428 1.00 0.00 H new ATOM 0 HD13 LEU A 505 8.581 10.030 13.246 1.00 0.00 H new ATOM 0 HD21 LEU A 505 5.839 8.987 14.067 1.00 0.00 H new ATOM 0 HD22 LEU A 505 6.407 9.242 12.399 1.00 0.00 H new ATOM 0 HD23 LEU A 505 5.772 7.653 12.890 1.00 0.00 H new ATOM 491 N GLU A 506 8.756 5.679 9.751 1.00 0.00 N ATOM 492 CA GLU A 506 9.652 5.319 8.646 1.00 0.00 C ATOM 493 C GLU A 506 10.725 6.402 8.457 1.00 0.00 C ATOM 494 O GLU A 506 10.415 7.517 8.034 1.00 0.00 O ATOM 495 CB GLU A 506 8.825 5.122 7.363 1.00 0.00 C ATOM 496 CG GLU A 506 9.704 4.756 6.153 1.00 0.00 C ATOM 497 CD GLU A 506 8.905 4.345 4.895 1.00 0.00 C ATOM 498 OE1 GLU A 506 7.649 4.392 4.894 1.00 0.00 O ATOM 499 OE2 GLU A 506 9.542 3.969 3.881 1.00 0.00 O ATOM 0 H GLU A 506 7.905 6.148 9.442 1.00 0.00 H new ATOM 0 HA GLU A 506 10.163 4.384 8.877 1.00 0.00 H new ATOM 0 HB2 GLU A 506 8.088 4.335 7.525 1.00 0.00 H new ATOM 0 HB3 GLU A 506 8.273 6.036 7.145 1.00 0.00 H new ATOM 0 HG2 GLU A 506 10.337 5.608 5.906 1.00 0.00 H new ATOM 0 HG3 GLU A 506 10.367 3.937 6.433 1.00 0.00 H new ATOM 506 N VAL A 507 11.984 6.078 8.761 1.00 0.00 N ATOM 507 CA VAL A 507 13.149 6.915 8.429 1.00 0.00 C ATOM 508 C VAL A 507 13.499 6.742 6.945 1.00 0.00 C ATOM 509 O VAL A 507 13.349 5.661 6.372 1.00 0.00 O ATOM 510 CB VAL A 507 14.382 6.563 9.298 1.00 0.00 C ATOM 511 CG1 VAL A 507 15.546 7.523 9.047 1.00 0.00 C ATOM 512 CG2 VAL A 507 14.097 6.515 10.803 1.00 0.00 C ATOM 0 H VAL A 507 12.230 5.218 9.250 1.00 0.00 H new ATOM 0 HA VAL A 507 12.883 7.952 8.635 1.00 0.00 H new ATOM 0 HB VAL A 507 14.652 5.555 8.984 1.00 0.00 H new ATOM 0 HG11 VAL A 507 16.391 7.242 9.675 1.00 0.00 H new ATOM 0 HG12 VAL A 507 15.840 7.472 7.999 1.00 0.00 H new ATOM 0 HG13 VAL A 507 15.237 8.540 9.288 1.00 0.00 H new ATOM 0 HG21 VAL A 507 15.012 6.262 11.339 1.00 0.00 H new ATOM 0 HG22 VAL A 507 13.739 7.489 11.137 1.00 0.00 H new ATOM 0 HG23 VAL A 507 13.337 5.760 11.006 1.00 0.00 H new ATOM 522 N LEU A 508 14.008 7.815 6.346 1.00 0.00 N ATOM 523 CA LEU A 508 14.367 7.973 4.942 1.00 0.00 C ATOM 524 C LEU A 508 15.838 8.416 4.766 1.00 0.00 C ATOM 525 O LEU A 508 16.413 8.197 3.698 1.00 0.00 O ATOM 526 CB LEU A 508 13.443 9.028 4.302 1.00 0.00 C ATOM 527 CG LEU A 508 11.926 8.877 4.538 1.00 0.00 C ATOM 528 CD1 LEU A 508 11.197 10.091 3.960 1.00 0.00 C ATOM 529 CD2 LEU A 508 11.361 7.619 3.882 1.00 0.00 C ATOM 0 H LEU A 508 14.195 8.667 6.876 1.00 0.00 H new ATOM 0 HA LEU A 508 14.248 7.005 4.455 1.00 0.00 H new ATOM 0 HB2 LEU A 508 13.745 10.009 4.670 1.00 0.00 H new ATOM 0 HB3 LEU A 508 13.619 9.022 3.226 1.00 0.00 H new ATOM 0 HG LEU A 508 11.773 8.801 5.614 1.00 0.00 H new ATOM 0 HD11 LEU A 508 10.125 9.985 4.126 1.00 0.00 H new ATOM 0 HD12 LEU A 508 11.553 10.997 4.451 1.00 0.00 H new ATOM 0 HD13 LEU A 508 11.393 10.158 2.890 1.00 0.00 H new ATOM 0 HD21 LEU A 508 10.290 7.557 4.076 1.00 0.00 H new ATOM 0 HD22 LEU A 508 11.533 7.661 2.806 1.00 0.00 H new ATOM 0 HD23 LEU A 508 11.856 6.740 4.295 1.00 0.00 H new ATOM 541 N ASP A 509 16.454 9.020 5.795 1.00 0.00 N ATOM 542 CA ASP A 509 17.877 9.407 5.800 1.00 0.00 C ATOM 543 C ASP A 509 18.448 9.400 7.228 1.00 0.00 C ATOM 544 O ASP A 509 17.822 9.943 8.139 1.00 0.00 O ATOM 545 CB ASP A 509 18.039 10.806 5.184 1.00 0.00 C ATOM 546 CG ASP A 509 19.518 11.214 5.089 1.00 0.00 C ATOM 547 OD1 ASP A 509 20.303 10.495 4.425 1.00 0.00 O ATOM 548 OD2 ASP A 509 19.901 12.259 5.667 1.00 0.00 O ATOM 0 H ASP A 509 15.971 9.258 6.661 1.00 0.00 H new ATOM 0 HA ASP A 509 18.430 8.679 5.206 1.00 0.00 H new ATOM 0 HB2 ASP A 509 17.592 10.821 4.190 1.00 0.00 H new ATOM 0 HB3 ASP A 509 17.498 11.535 5.787 1.00 0.00 H new ATOM 553 N ASP A 510 19.630 8.803 7.417 1.00 0.00 N ATOM 554 CA ASP A 510 20.205 8.467 8.733 1.00 0.00 C ATOM 555 C ASP A 510 21.742 8.631 8.797 1.00 0.00 C ATOM 556 O ASP A 510 22.470 7.791 9.336 1.00 0.00 O ATOM 557 CB ASP A 510 19.705 7.083 9.197 1.00 0.00 C ATOM 558 CG ASP A 510 19.756 5.990 8.114 1.00 0.00 C ATOM 559 OD1 ASP A 510 20.866 5.557 7.716 1.00 0.00 O ATOM 560 OD2 ASP A 510 18.679 5.529 7.664 1.00 0.00 O ATOM 0 H ASP A 510 20.233 8.531 6.640 1.00 0.00 H new ATOM 0 HA ASP A 510 19.840 9.202 9.451 1.00 0.00 H new ATOM 0 HB2 ASP A 510 20.304 6.761 10.049 1.00 0.00 H new ATOM 0 HB3 ASP A 510 18.678 7.181 9.549 1.00 0.00 H new ATOM 565 N SER A 511 22.239 9.755 8.264 1.00 0.00 N ATOM 566 CA SER A 511 23.677 10.078 8.150 1.00 0.00 C ATOM 567 C SER A 511 24.079 11.371 8.887 1.00 0.00 C ATOM 568 O SER A 511 25.211 11.844 8.739 1.00 0.00 O ATOM 569 CB SER A 511 24.071 10.148 6.665 1.00 0.00 C ATOM 570 OG SER A 511 23.928 8.880 6.037 1.00 0.00 O ATOM 0 H SER A 511 21.639 10.489 7.888 1.00 0.00 H new ATOM 0 HA SER A 511 24.226 9.276 8.644 1.00 0.00 H new ATOM 0 HB2 SER A 511 23.448 10.882 6.155 1.00 0.00 H new ATOM 0 HB3 SER A 511 25.103 10.488 6.575 1.00 0.00 H new ATOM 0 HG SER A 511 24.183 8.952 5.093 1.00 0.00 H new ATOM 576 N ARG A 512 23.169 11.945 9.692 1.00 0.00 N ATOM 577 CA ARG A 512 23.337 13.194 10.467 1.00 0.00 C ATOM 578 C ARG A 512 22.610 13.152 11.827 1.00 0.00 C ATOM 579 O ARG A 512 21.966 12.158 12.167 1.00 0.00 O ATOM 580 CB ARG A 512 22.841 14.389 9.626 1.00 0.00 C ATOM 581 CG ARG A 512 23.743 14.764 8.439 1.00 0.00 C ATOM 582 CD ARG A 512 23.604 16.263 8.138 1.00 0.00 C ATOM 583 NE ARG A 512 24.354 16.654 6.925 1.00 0.00 N ATOM 584 CZ ARG A 512 25.100 17.735 6.758 1.00 0.00 C ATOM 585 NH1 ARG A 512 25.337 18.581 7.722 1.00 0.00 N ATOM 586 NH2 ARG A 512 25.635 17.992 5.599 1.00 0.00 N ATOM 0 H ARG A 512 22.247 11.531 9.829 1.00 0.00 H new ATOM 0 HA ARG A 512 24.399 13.308 10.686 1.00 0.00 H new ATOM 0 HB2 ARG A 512 21.845 14.160 9.248 1.00 0.00 H new ATOM 0 HB3 ARG A 512 22.743 15.257 10.278 1.00 0.00 H new ATOM 0 HG2 ARG A 512 24.781 14.524 8.668 1.00 0.00 H new ATOM 0 HG3 ARG A 512 23.467 14.180 7.561 1.00 0.00 H new ATOM 0 HD2 ARG A 512 22.550 16.511 8.009 1.00 0.00 H new ATOM 0 HD3 ARG A 512 23.965 16.839 8.990 1.00 0.00 H new ATOM 0 HE ARG A 512 24.289 16.020 6.128 1.00 0.00 H new ATOM 0 HH11 ARG A 512 24.942 18.422 8.649 1.00 0.00 H new ATOM 0 HH12 ARG A 512 25.918 19.401 7.549 1.00 0.00 H new ATOM 0 HH21 ARG A 512 25.480 17.359 4.814 1.00 0.00 H new ATOM 0 HH22 ARG A 512 26.209 18.826 5.476 1.00 0.00 H new ATOM 600 N LYS A 513 22.713 14.243 12.602 1.00 0.00 N ATOM 601 CA LYS A 513 22.061 14.459 13.913 1.00 0.00 C ATOM 602 C LYS A 513 20.525 14.481 13.859 1.00 0.00 C ATOM 603 O LYS A 513 19.870 14.124 14.837 1.00 0.00 O ATOM 604 CB LYS A 513 22.540 15.798 14.499 1.00 0.00 C ATOM 605 CG LYS A 513 24.052 15.936 14.736 1.00 0.00 C ATOM 606 CD LYS A 513 24.569 15.045 15.874 1.00 0.00 C ATOM 607 CE LYS A 513 26.022 15.408 16.203 1.00 0.00 C ATOM 608 NZ LYS A 513 26.575 14.533 17.272 1.00 0.00 N ATOM 0 H LYS A 513 23.281 15.042 12.321 1.00 0.00 H new ATOM 0 HA LYS A 513 22.345 13.609 14.534 1.00 0.00 H new ATOM 0 HB2 LYS A 513 22.225 16.597 13.828 1.00 0.00 H new ATOM 0 HB3 LYS A 513 22.029 15.958 15.448 1.00 0.00 H new ATOM 0 HG2 LYS A 513 24.582 15.685 13.817 1.00 0.00 H new ATOM 0 HG3 LYS A 513 24.284 16.976 14.964 1.00 0.00 H new ATOM 0 HD2 LYS A 513 23.944 15.171 16.758 1.00 0.00 H new ATOM 0 HD3 LYS A 513 24.504 13.996 15.585 1.00 0.00 H new ATOM 0 HE2 LYS A 513 26.633 15.317 15.305 1.00 0.00 H new ATOM 0 HE3 LYS A 513 26.075 16.449 16.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 513 27.559 14.806 17.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 513 26.006 14.639 18.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 513 26.547 13.542 16.958 1.00 0.00 H new ATOM 622 N TRP A 514 19.933 14.882 12.735 1.00 0.00 N ATOM 623 CA TRP A 514 18.483 14.864 12.522 1.00 0.00 C ATOM 624 C TRP A 514 18.151 13.961 11.336 1.00 0.00 C ATOM 625 O TRP A 514 18.702 14.127 10.244 1.00 0.00 O ATOM 626 CB TRP A 514 17.945 16.284 12.301 1.00 0.00 C ATOM 627 CG TRP A 514 17.912 17.181 13.505 1.00 0.00 C ATOM 628 CD1 TRP A 514 18.979 17.634 14.204 1.00 0.00 C ATOM 629 CD2 TRP A 514 16.747 17.788 14.141 1.00 0.00 C ATOM 630 NE1 TRP A 514 18.552 18.423 15.256 1.00 0.00 N ATOM 631 CE2 TRP A 514 17.178 18.538 15.275 1.00 0.00 C ATOM 632 CE3 TRP A 514 15.366 17.798 13.854 1.00 0.00 C ATOM 633 CZ2 TRP A 514 16.274 19.213 16.111 1.00 0.00 C ATOM 634 CZ3 TRP A 514 14.453 18.492 14.664 1.00 0.00 C ATOM 635 CH2 TRP A 514 14.902 19.188 15.802 1.00 0.00 C ATOM 0 H TRP A 514 20.454 15.235 11.932 1.00 0.00 H new ATOM 0 HA TRP A 514 17.999 14.466 13.413 1.00 0.00 H new ATOM 0 HB2 TRP A 514 18.553 16.764 11.534 1.00 0.00 H new ATOM 0 HB3 TRP A 514 16.933 16.208 11.904 1.00 0.00 H new ATOM 0 HD1 TRP A 514 20.011 17.412 13.974 1.00 0.00 H new ATOM 0 HE1 TRP A 514 19.175 18.864 15.933 1.00 0.00 H new ATOM 0 HE3 TRP A 514 15.003 17.259 12.991 1.00 0.00 H new ATOM 0 HZ2 TRP A 514 16.628 19.745 16.981 1.00 0.00 H new ATOM 0 HZ3 TRP A 514 13.403 18.492 14.413 1.00 0.00 H new ATOM 0 HH2 TRP A 514 14.195 19.702 16.436 1.00 0.00 H new ATOM 646 N TRP A 515 17.262 12.986 11.553 1.00 0.00 N ATOM 647 CA TRP A 515 16.867 12.031 10.515 1.00 0.00 C ATOM 648 C TRP A 515 15.584 12.493 9.832 1.00 0.00 C ATOM 649 O TRP A 515 14.674 13.032 10.472 1.00 0.00 O ATOM 650 CB TRP A 515 16.757 10.595 11.061 1.00 0.00 C ATOM 651 CG TRP A 515 18.019 9.987 11.611 1.00 0.00 C ATOM 652 CD1 TRP A 515 19.248 10.556 11.656 1.00 0.00 C ATOM 653 CD2 TRP A 515 18.208 8.641 12.141 1.00 0.00 C ATOM 654 NE1 TRP A 515 20.164 9.672 12.184 1.00 0.00 N ATOM 655 CE2 TRP A 515 19.579 8.467 12.498 1.00 0.00 C ATOM 656 CE3 TRP A 515 17.356 7.536 12.322 1.00 0.00 C ATOM 657 CZ2 TRP A 515 20.077 7.263 13.018 1.00 0.00 C ATOM 658 CZ3 TRP A 515 17.841 6.320 12.839 1.00 0.00 C ATOM 659 CH2 TRP A 515 19.196 6.182 13.194 1.00 0.00 C ATOM 0 H TRP A 515 16.798 12.838 12.449 1.00 0.00 H new ATOM 0 HA TRP A 515 17.654 12.003 9.762 1.00 0.00 H new ATOM 0 HB2 TRP A 515 16.003 10.586 11.848 1.00 0.00 H new ATOM 0 HB3 TRP A 515 16.390 9.953 10.260 1.00 0.00 H new ATOM 0 HD1 TRP A 515 19.477 11.558 11.326 1.00 0.00 H new ATOM 0 HE1 TRP A 515 21.152 9.884 12.324 1.00 0.00 H new ATOM 0 HE3 TRP A 515 16.312 7.622 12.060 1.00 0.00 H new ATOM 0 HZ2 TRP A 515 21.121 7.168 13.279 1.00 0.00 H new ATOM 0 HZ3 TRP A 515 17.167 5.485 12.964 1.00 0.00 H new ATOM 0 HH2 TRP A 515 19.557 5.249 13.600 1.00 0.00 H new ATOM 670 N LYS A 516 15.514 12.288 8.515 1.00 0.00 N ATOM 671 CA LYS A 516 14.320 12.538 7.722 1.00 0.00 C ATOM 672 C LYS A 516 13.412 11.344 7.907 1.00 0.00 C ATOM 673 O LYS A 516 13.746 10.261 7.450 1.00 0.00 O ATOM 674 CB LYS A 516 14.703 12.779 6.254 1.00 0.00 C ATOM 675 CG LYS A 516 13.459 13.122 5.427 1.00 0.00 C ATOM 676 CD LYS A 516 13.808 13.674 4.045 1.00 0.00 C ATOM 677 CE LYS A 516 12.567 14.261 3.353 1.00 0.00 C ATOM 678 NZ LYS A 516 12.131 15.542 3.984 1.00 0.00 N ATOM 0 H LYS A 516 16.300 11.938 7.966 1.00 0.00 H new ATOM 0 HA LYS A 516 13.796 13.438 8.044 1.00 0.00 H new ATOM 0 HB2 LYS A 516 15.426 13.592 6.189 1.00 0.00 H new ATOM 0 HB3 LYS A 516 15.185 11.890 5.847 1.00 0.00 H new ATOM 0 HG2 LYS A 516 12.845 12.229 5.313 1.00 0.00 H new ATOM 0 HG3 LYS A 516 12.859 13.855 5.966 1.00 0.00 H new ATOM 0 HD2 LYS A 516 14.573 14.444 4.140 1.00 0.00 H new ATOM 0 HD3 LYS A 516 14.230 12.880 3.429 1.00 0.00 H new ATOM 0 HE2 LYS A 516 12.786 14.432 2.299 1.00 0.00 H new ATOM 0 HE3 LYS A 516 11.752 13.539 3.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 11.454 16.024 3.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 11.677 15.342 4.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 12.958 16.154 4.135 1.00 0.00 H new ATOM 692 N VAL A 517 12.297 11.527 8.594 1.00 0.00 N ATOM 693 CA VAL A 517 11.263 10.492 8.766 1.00 0.00 C ATOM 694 C VAL A 517 9.923 10.953 8.179 1.00 0.00 C ATOM 695 O VAL A 517 9.800 12.097 7.727 1.00 0.00 O ATOM 696 CB VAL A 517 11.120 10.047 10.241 1.00 0.00 C ATOM 697 CG1 VAL A 517 12.465 9.767 10.920 1.00 0.00 C ATOM 698 CG2 VAL A 517 10.386 11.075 11.102 1.00 0.00 C ATOM 0 H VAL A 517 12.071 12.407 9.058 1.00 0.00 H new ATOM 0 HA VAL A 517 11.587 9.613 8.209 1.00 0.00 H new ATOM 0 HB VAL A 517 10.540 9.126 10.178 1.00 0.00 H new ATOM 0 HG11 VAL A 517 12.295 9.459 11.952 1.00 0.00 H new ATOM 0 HG12 VAL A 517 12.984 8.972 10.385 1.00 0.00 H new ATOM 0 HG13 VAL A 517 13.074 10.671 10.907 1.00 0.00 H new ATOM 0 HG21 VAL A 517 10.316 10.708 12.126 1.00 0.00 H new ATOM 0 HG22 VAL A 517 10.934 12.017 11.091 1.00 0.00 H new ATOM 0 HG23 VAL A 517 9.384 11.234 10.704 1.00 0.00 H new ATOM 708 N ARG A 518 8.911 10.079 8.220 1.00 0.00 N ATOM 709 CA ARG A 518 7.533 10.376 7.803 1.00 0.00 C ATOM 710 C ARG A 518 6.539 9.966 8.885 1.00 0.00 C ATOM 711 O ARG A 518 6.665 8.888 9.470 1.00 0.00 O ATOM 712 CB ARG A 518 7.248 9.689 6.457 1.00 0.00 C ATOM 713 CG ARG A 518 5.908 10.128 5.841 1.00 0.00 C ATOM 714 CD ARG A 518 5.718 9.673 4.385 1.00 0.00 C ATOM 715 NE ARG A 518 4.869 8.469 4.268 1.00 0.00 N ATOM 716 CZ ARG A 518 5.242 7.205 4.367 1.00 0.00 C ATOM 717 NH1 ARG A 518 6.473 6.866 4.605 1.00 0.00 N ATOM 718 NH2 ARG A 518 4.373 6.247 4.218 1.00 0.00 N ATOM 0 H ARG A 518 9.029 9.122 8.552 1.00 0.00 H new ATOM 0 HA ARG A 518 7.415 11.451 7.665 1.00 0.00 H new ATOM 0 HB2 ARG A 518 8.055 9.914 5.760 1.00 0.00 H new ATOM 0 HB3 ARG A 518 7.242 8.608 6.599 1.00 0.00 H new ATOM 0 HG2 ARG A 518 5.093 9.731 6.446 1.00 0.00 H new ATOM 0 HG3 ARG A 518 5.837 11.215 5.885 1.00 0.00 H new ATOM 0 HD2 ARG A 518 5.271 10.485 3.811 1.00 0.00 H new ATOM 0 HD3 ARG A 518 6.693 9.469 3.943 1.00 0.00 H new ATOM 0 HE ARG A 518 3.878 8.633 4.090 1.00 0.00 H new ATOM 0 HH11 ARG A 518 7.187 7.585 4.722 1.00 0.00 H new ATOM 0 HH12 ARG A 518 6.726 5.880 4.675 1.00 0.00 H new ATOM 0 HH21 ARG A 518 3.397 6.470 4.023 1.00 0.00 H new ATOM 0 HH22 ARG A 518 4.668 5.274 4.296 1.00 0.00 H new ATOM 732 N ASP A 519 5.572 10.838 9.165 1.00 0.00 N ATOM 733 CA ASP A 519 4.512 10.560 10.139 1.00 0.00 C ATOM 734 C ASP A 519 3.514 9.479 9.639 1.00 0.00 C ATOM 735 O ASP A 519 3.501 9.141 8.448 1.00 0.00 O ATOM 736 CB ASP A 519 3.876 11.896 10.573 1.00 0.00 C ATOM 737 CG ASP A 519 2.686 12.395 9.735 1.00 0.00 C ATOM 738 OD1 ASP A 519 2.503 11.944 8.582 1.00 0.00 O ATOM 739 OD2 ASP A 519 1.937 13.266 10.238 1.00 0.00 O ATOM 0 H ASP A 519 5.499 11.756 8.726 1.00 0.00 H new ATOM 0 HA ASP A 519 4.933 10.102 11.034 1.00 0.00 H new ATOM 0 HB2 ASP A 519 3.547 11.797 11.607 1.00 0.00 H new ATOM 0 HB3 ASP A 519 4.650 12.663 10.557 1.00 0.00 H new ATOM 744 N PRO A 520 2.664 8.908 10.516 1.00 0.00 N ATOM 745 CA PRO A 520 1.691 7.869 10.155 1.00 0.00 C ATOM 746 C PRO A 520 0.450 8.402 9.394 1.00 0.00 C ATOM 747 O PRO A 520 -0.642 7.834 9.501 1.00 0.00 O ATOM 748 CB PRO A 520 1.367 7.167 11.483 1.00 0.00 C ATOM 749 CG PRO A 520 1.527 8.277 12.517 1.00 0.00 C ATOM 750 CD PRO A 520 2.679 9.104 11.959 1.00 0.00 C ATOM 0 HA PRO A 520 2.101 7.170 9.427 1.00 0.00 H new ATOM 0 HB2 PRO A 520 0.357 6.758 11.485 1.00 0.00 H new ATOM 0 HB3 PRO A 520 2.047 6.337 11.675 1.00 0.00 H new ATOM 0 HG2 PRO A 520 0.617 8.869 12.617 1.00 0.00 H new ATOM 0 HG3 PRO A 520 1.758 7.878 13.505 1.00 0.00 H new ATOM 0 HD2 PRO A 520 2.557 10.158 12.209 1.00 0.00 H new ATOM 0 HD3 PRO A 520 3.630 8.783 12.385 1.00 0.00 H new ATOM 758 N ALA A 521 0.598 9.482 8.614 1.00 0.00 N ATOM 759 CA ALA A 521 -0.452 10.071 7.778 1.00 0.00 C ATOM 760 C ALA A 521 0.038 10.472 6.370 1.00 0.00 C ATOM 761 O ALA A 521 -0.678 10.237 5.391 1.00 0.00 O ATOM 762 CB ALA A 521 -1.042 11.278 8.516 1.00 0.00 C ATOM 0 H ALA A 521 1.483 9.985 8.547 1.00 0.00 H new ATOM 0 HA ALA A 521 -1.216 9.311 7.613 1.00 0.00 H new ATOM 0 HB1 ALA A 521 -1.826 11.729 7.907 1.00 0.00 H new ATOM 0 HB2 ALA A 521 -1.463 10.953 9.467 1.00 0.00 H new ATOM 0 HB3 ALA A 521 -0.257 12.012 8.699 1.00 0.00 H new ATOM 768 N GLY A 522 1.247 11.037 6.244 1.00 0.00 N ATOM 769 CA GLY A 522 1.848 11.385 4.946 1.00 0.00 C ATOM 770 C GLY A 522 2.834 12.554 4.916 1.00 0.00 C ATOM 771 O GLY A 522 3.072 13.108 3.839 1.00 0.00 O ATOM 0 H GLY A 522 1.839 11.267 7.042 1.00 0.00 H new ATOM 0 HA2 GLY A 522 2.361 10.502 4.565 1.00 0.00 H new ATOM 0 HA3 GLY A 522 1.040 11.609 4.250 1.00 0.00 H new ATOM 775 N GLN A 523 3.387 12.962 6.056 1.00 0.00 N ATOM 776 CA GLN A 523 4.139 14.210 6.201 1.00 0.00 C ATOM 777 C GLN A 523 5.610 13.917 6.493 1.00 0.00 C ATOM 778 O GLN A 523 5.915 13.190 7.436 1.00 0.00 O ATOM 779 CB GLN A 523 3.542 15.018 7.357 1.00 0.00 C ATOM 780 CG GLN A 523 2.031 15.223 7.246 1.00 0.00 C ATOM 781 CD GLN A 523 1.535 16.276 8.233 1.00 0.00 C ATOM 782 OE1 GLN A 523 1.343 17.441 7.899 1.00 0.00 O ATOM 783 NE2 GLN A 523 1.319 15.923 9.481 1.00 0.00 N ATOM 0 H GLN A 523 3.325 12.426 6.922 1.00 0.00 H new ATOM 0 HA GLN A 523 4.074 14.777 5.272 1.00 0.00 H new ATOM 0 HB2 GLN A 523 3.763 14.510 8.296 1.00 0.00 H new ATOM 0 HB3 GLN A 523 4.030 15.992 7.398 1.00 0.00 H new ATOM 0 HG2 GLN A 523 1.778 15.527 6.230 1.00 0.00 H new ATOM 0 HG3 GLN A 523 1.520 14.278 7.433 1.00 0.00 H new ATOM 0 HE21 GLN A 523 1.475 14.958 9.772 1.00 0.00 H new ATOM 0 HE22 GLN A 523 0.996 16.614 10.158 1.00 0.00 H new ATOM 792 N GLU A 524 6.512 14.488 5.697 1.00 0.00 N ATOM 793 CA GLU A 524 7.968 14.286 5.775 1.00 0.00 C ATOM 794 C GLU A 524 8.681 15.582 6.207 1.00 0.00 C ATOM 795 O GLU A 524 8.248 16.690 5.875 1.00 0.00 O ATOM 796 CB GLU A 524 8.514 13.841 4.406 1.00 0.00 C ATOM 797 CG GLU A 524 7.917 12.520 3.901 1.00 0.00 C ATOM 798 CD GLU A 524 8.089 12.311 2.381 1.00 0.00 C ATOM 799 OE1 GLU A 524 7.749 13.221 1.584 1.00 0.00 O ATOM 800 OE2 GLU A 524 8.520 11.211 1.959 1.00 0.00 O ATOM 0 H GLU A 524 6.245 15.129 4.950 1.00 0.00 H new ATOM 0 HA GLU A 524 8.161 13.512 6.518 1.00 0.00 H new ATOM 0 HB2 GLU A 524 8.314 14.623 3.674 1.00 0.00 H new ATOM 0 HB3 GLU A 524 9.597 13.737 4.473 1.00 0.00 H new ATOM 0 HG2 GLU A 524 8.388 11.691 4.430 1.00 0.00 H new ATOM 0 HG3 GLU A 524 6.855 12.492 4.146 1.00 0.00 H new ATOM 807 N GLY A 525 9.799 15.444 6.925 1.00 0.00 N ATOM 808 CA GLY A 525 10.543 16.590 7.479 1.00 0.00 C ATOM 809 C GLY A 525 11.857 16.196 8.144 1.00 0.00 C ATOM 810 O GLY A 525 12.678 15.544 7.514 1.00 0.00 O ATOM 0 H GLY A 525 10.217 14.539 7.141 1.00 0.00 H new ATOM 0 HA2 GLY A 525 10.749 17.301 6.679 1.00 0.00 H new ATOM 0 HA3 GLY A 525 9.915 17.103 8.208 1.00 0.00 H new ATOM 814 N TYR A 526 12.056 16.576 9.403 1.00 0.00 N ATOM 815 CA TYR A 526 13.225 16.213 10.212 1.00 0.00 C ATOM 816 C TYR A 526 12.837 16.090 11.691 1.00 0.00 C ATOM 817 O TYR A 526 11.996 16.845 12.189 1.00 0.00 O ATOM 818 CB TYR A 526 14.340 17.261 10.043 1.00 0.00 C ATOM 819 CG TYR A 526 15.068 17.243 8.708 1.00 0.00 C ATOM 820 CD1 TYR A 526 15.817 16.110 8.331 1.00 0.00 C ATOM 821 CD2 TYR A 526 15.024 18.366 7.859 1.00 0.00 C ATOM 822 CE1 TYR A 526 16.494 16.083 7.096 1.00 0.00 C ATOM 823 CE2 TYR A 526 15.714 18.352 6.630 1.00 0.00 C ATOM 824 CZ TYR A 526 16.442 17.206 6.242 1.00 0.00 C ATOM 825 OH TYR A 526 17.084 17.178 5.041 1.00 0.00 O ATOM 0 H TYR A 526 11.391 17.162 9.907 1.00 0.00 H new ATOM 0 HA TYR A 526 13.595 15.248 9.867 1.00 0.00 H new ATOM 0 HB2 TYR A 526 13.907 18.251 10.186 1.00 0.00 H new ATOM 0 HB3 TYR A 526 15.073 17.116 10.837 1.00 0.00 H new ATOM 0 HD1 TYR A 526 15.872 15.258 8.993 1.00 0.00 H new ATOM 0 HD2 TYR A 526 14.460 19.240 8.150 1.00 0.00 H new ATOM 0 HE1 TYR A 526 17.051 15.206 6.803 1.00 0.00 H new ATOM 0 HE2 TYR A 526 15.686 19.218 5.985 1.00 0.00 H new ATOM 0 HH TYR A 526 16.947 18.030 4.577 1.00 0.00 H new ATOM 835 N VAL A 527 13.485 15.158 12.395 1.00 0.00 N ATOM 836 CA VAL A 527 13.352 14.928 13.845 1.00 0.00 C ATOM 837 C VAL A 527 14.720 14.569 14.458 1.00 0.00 C ATOM 838 O VAL A 527 15.570 14.001 13.763 1.00 0.00 O ATOM 839 CB VAL A 527 12.323 13.816 14.150 1.00 0.00 C ATOM 840 CG1 VAL A 527 10.892 14.251 13.811 1.00 0.00 C ATOM 841 CG2 VAL A 527 12.625 12.513 13.408 1.00 0.00 C ATOM 0 H VAL A 527 14.144 14.515 11.957 1.00 0.00 H new ATOM 0 HA VAL A 527 12.990 15.852 14.296 1.00 0.00 H new ATOM 0 HB VAL A 527 12.406 13.636 15.222 1.00 0.00 H new ATOM 0 HG11 VAL A 527 10.201 13.440 14.041 1.00 0.00 H new ATOM 0 HG12 VAL A 527 10.629 15.129 14.401 1.00 0.00 H new ATOM 0 HG13 VAL A 527 10.827 14.494 12.750 1.00 0.00 H new ATOM 0 HG21 VAL A 527 11.871 11.768 13.660 1.00 0.00 H new ATOM 0 HG22 VAL A 527 12.611 12.695 12.333 1.00 0.00 H new ATOM 0 HG23 VAL A 527 13.609 12.147 13.701 1.00 0.00 H new ATOM 851 N PRO A 528 14.967 14.881 15.744 1.00 0.00 N ATOM 852 CA PRO A 528 16.253 14.638 16.396 1.00 0.00 C ATOM 853 C PRO A 528 16.491 13.136 16.593 1.00 0.00 C ATOM 854 O PRO A 528 15.662 12.448 17.187 1.00 0.00 O ATOM 855 CB PRO A 528 16.160 15.379 17.736 1.00 0.00 C ATOM 856 CG PRO A 528 14.665 15.385 18.050 1.00 0.00 C ATOM 857 CD PRO A 528 14.041 15.521 16.668 1.00 0.00 C ATOM 0 HA PRO A 528 17.094 14.992 15.800 1.00 0.00 H new ATOM 0 HB2 PRO A 528 16.730 14.871 18.514 1.00 0.00 H new ATOM 0 HB3 PRO A 528 16.556 16.392 17.661 1.00 0.00 H new ATOM 0 HG2 PRO A 528 14.351 14.468 18.549 1.00 0.00 H new ATOM 0 HG3 PRO A 528 14.390 16.213 18.703 1.00 0.00 H new ATOM 0 HD2 PRO A 528 13.062 15.043 16.633 1.00 0.00 H new ATOM 0 HD3 PRO A 528 13.893 16.569 16.408 1.00 0.00 H new ATOM 865 N TYR A 529 17.651 12.618 16.178 1.00 0.00 N ATOM 866 CA TYR A 529 17.995 11.199 16.400 1.00 0.00 C ATOM 867 C TYR A 529 18.048 10.797 17.886 1.00 0.00 C ATOM 868 O TYR A 529 17.930 9.620 18.217 1.00 0.00 O ATOM 869 CB TYR A 529 19.302 10.829 15.682 1.00 0.00 C ATOM 870 CG TYR A 529 20.594 11.029 16.470 1.00 0.00 C ATOM 871 CD1 TYR A 529 20.889 12.267 17.078 1.00 0.00 C ATOM 872 CD2 TYR A 529 21.503 9.959 16.613 1.00 0.00 C ATOM 873 CE1 TYR A 529 22.081 12.446 17.804 1.00 0.00 C ATOM 874 CE2 TYR A 529 22.689 10.125 17.357 1.00 0.00 C ATOM 875 CZ TYR A 529 22.983 11.373 17.951 1.00 0.00 C ATOM 876 OH TYR A 529 24.127 11.549 18.669 1.00 0.00 O ATOM 0 H TYR A 529 18.369 13.152 15.688 1.00 0.00 H new ATOM 0 HA TYR A 529 17.178 10.624 15.965 1.00 0.00 H new ATOM 0 HB2 TYR A 529 19.243 9.782 15.384 1.00 0.00 H new ATOM 0 HB3 TYR A 529 19.366 11.417 14.767 1.00 0.00 H new ATOM 0 HD1 TYR A 529 20.192 13.087 16.985 1.00 0.00 H new ATOM 0 HD2 TYR A 529 21.289 9.007 16.150 1.00 0.00 H new ATOM 0 HE1 TYR A 529 22.305 13.405 18.248 1.00 0.00 H new ATOM 0 HE2 TYR A 529 23.373 9.298 17.473 1.00 0.00 H new ATOM 0 HH TYR A 529 24.640 10.714 18.676 1.00 0.00 H new ATOM 886 N ASN A 530 18.176 11.779 18.787 1.00 0.00 N ATOM 887 CA ASN A 530 18.182 11.598 20.237 1.00 0.00 C ATOM 888 C ASN A 530 16.888 10.966 20.790 1.00 0.00 C ATOM 889 O ASN A 530 16.952 10.178 21.737 1.00 0.00 O ATOM 890 CB ASN A 530 18.453 12.983 20.851 1.00 0.00 C ATOM 891 CG ASN A 530 18.389 12.992 22.370 1.00 0.00 C ATOM 892 OD1 ASN A 530 19.071 12.242 23.057 1.00 0.00 O ATOM 893 ND2 ASN A 530 17.576 13.853 22.935 1.00 0.00 N ATOM 0 H ASN A 530 18.282 12.756 18.512 1.00 0.00 H new ATOM 0 HA ASN A 530 18.958 10.883 20.510 1.00 0.00 H new ATOM 0 HB2 ASN A 530 19.438 13.327 20.534 1.00 0.00 H new ATOM 0 HB3 ASN A 530 17.726 13.695 20.460 1.00 0.00 H new ATOM 0 HD21 ASN A 530 17.510 13.900 23.952 1.00 0.00 H new ATOM 0 HD22 ASN A 530 17.010 14.475 22.357 1.00 0.00 H new ATOM 900 N ILE A 531 15.727 11.268 20.191 1.00 0.00 N ATOM 901 CA ILE A 531 14.434 10.679 20.598 1.00 0.00 C ATOM 902 C ILE A 531 14.082 9.427 19.784 1.00 0.00 C ATOM 903 O ILE A 531 13.084 8.773 20.081 1.00 0.00 O ATOM 904 CB ILE A 531 13.281 11.717 20.591 1.00 0.00 C ATOM 905 CG1 ILE A 531 12.746 12.006 19.170 1.00 0.00 C ATOM 906 CG2 ILE A 531 13.721 13.004 21.320 1.00 0.00 C ATOM 907 CD1 ILE A 531 11.663 13.090 19.097 1.00 0.00 C ATOM 0 H ILE A 531 15.653 11.924 19.414 1.00 0.00 H new ATOM 0 HA ILE A 531 14.559 10.358 21.632 1.00 0.00 H new ATOM 0 HB ILE A 531 12.442 11.284 21.135 1.00 0.00 H new ATOM 0 HG12 ILE A 531 13.581 12.304 18.536 1.00 0.00 H new ATOM 0 HG13 ILE A 531 12.344 11.082 18.754 1.00 0.00 H new ATOM 0 HG21 ILE A 531 12.904 13.726 21.309 1.00 0.00 H new ATOM 0 HG22 ILE A 531 13.982 12.767 22.351 1.00 0.00 H new ATOM 0 HG23 ILE A 531 14.588 13.430 20.815 1.00 0.00 H new ATOM 0 HD11 ILE A 531 11.350 13.223 18.061 1.00 0.00 H new ATOM 0 HD12 ILE A 531 10.806 12.789 19.699 1.00 0.00 H new ATOM 0 HD13 ILE A 531 12.062 14.030 19.478 1.00 0.00 H new ATOM 919 N LEU A 532 14.885 9.074 18.774 1.00 0.00 N ATOM 920 CA LEU A 532 14.678 7.880 17.953 1.00 0.00 C ATOM 921 C LEU A 532 15.501 6.708 18.509 1.00 0.00 C ATOM 922 O LEU A 532 16.657 6.860 18.912 1.00 0.00 O ATOM 923 CB LEU A 532 15.062 8.178 16.490 1.00 0.00 C ATOM 924 CG LEU A 532 14.321 9.367 15.844 1.00 0.00 C ATOM 925 CD1 LEU A 532 14.853 9.607 14.425 1.00 0.00 C ATOM 926 CD2 LEU A 532 12.801 9.178 15.801 1.00 0.00 C ATOM 0 H LEU A 532 15.705 9.616 18.502 1.00 0.00 H new ATOM 0 HA LEU A 532 13.625 7.600 17.983 1.00 0.00 H new ATOM 0 HB2 LEU A 532 16.134 8.371 16.445 1.00 0.00 H new ATOM 0 HB3 LEU A 532 14.873 7.286 15.893 1.00 0.00 H new ATOM 0 HG LEU A 532 14.515 10.236 16.473 1.00 0.00 H new ATOM 0 HD11 LEU A 532 14.325 10.448 13.976 1.00 0.00 H new ATOM 0 HD12 LEU A 532 15.919 9.830 14.469 1.00 0.00 H new ATOM 0 HD13 LEU A 532 14.694 8.714 13.821 1.00 0.00 H new ATOM 0 HD21 LEU A 532 12.339 10.049 15.335 1.00 0.00 H new ATOM 0 HD22 LEU A 532 12.561 8.286 15.221 1.00 0.00 H new ATOM 0 HD23 LEU A 532 12.420 9.064 16.816 1.00 0.00 H new ATOM 938 N THR A 533 14.910 5.518 18.507 1.00 0.00 N ATOM 939 CA THR A 533 15.536 4.261 18.941 1.00 0.00 C ATOM 940 C THR A 533 15.150 3.133 17.973 1.00 0.00 C ATOM 941 O THR A 533 14.019 3.110 17.478 1.00 0.00 O ATOM 942 CB THR A 533 15.148 3.949 20.403 1.00 0.00 C ATOM 943 OG1 THR A 533 15.545 2.660 20.806 1.00 0.00 O ATOM 944 CG2 THR A 533 13.651 4.036 20.676 1.00 0.00 C ATOM 0 H THR A 533 13.948 5.391 18.193 1.00 0.00 H new ATOM 0 HA THR A 533 16.622 4.356 18.916 1.00 0.00 H new ATOM 0 HB THR A 533 15.674 4.719 20.967 1.00 0.00 H new ATOM 0 HG1 THR A 533 15.279 2.512 21.737 1.00 0.00 H new ATOM 0 HG21 THR A 533 13.458 3.804 21.723 1.00 0.00 H new ATOM 0 HG22 THR A 533 13.299 5.044 20.457 1.00 0.00 H new ATOM 0 HG23 THR A 533 13.124 3.322 20.043 1.00 0.00 H new ATOM 952 N PRO A 534 16.067 2.205 17.642 1.00 0.00 N ATOM 953 CA PRO A 534 15.798 1.126 16.694 1.00 0.00 C ATOM 954 C PRO A 534 14.609 0.273 17.153 1.00 0.00 C ATOM 955 O PRO A 534 14.456 -0.005 18.346 1.00 0.00 O ATOM 956 CB PRO A 534 17.103 0.323 16.603 1.00 0.00 C ATOM 957 CG PRO A 534 17.798 0.619 17.930 1.00 0.00 C ATOM 958 CD PRO A 534 17.394 2.060 18.215 1.00 0.00 C ATOM 0 HA PRO A 534 15.512 1.503 15.712 1.00 0.00 H new ATOM 0 HB2 PRO A 534 16.911 -0.743 16.480 1.00 0.00 H new ATOM 0 HB3 PRO A 534 17.709 0.638 15.754 1.00 0.00 H new ATOM 0 HG2 PRO A 534 17.466 -0.057 18.719 1.00 0.00 H new ATOM 0 HG3 PRO A 534 18.880 0.511 17.852 1.00 0.00 H new ATOM 0 HD2 PRO A 534 17.384 2.262 19.286 1.00 0.00 H new ATOM 0 HD3 PRO A 534 18.096 2.762 17.765 1.00 0.00 H new