USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 411 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 485 CYS SG : rot -100:sc= -0.0324 USER MOD Single : A 486 ASN : amide:sc= -0.0873 K(o=-0.087,f=-1.2) USER MOD Single : A 487 TYR OH : rot 180:sc= 0 USER MOD Single : A 490 GLN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 495 SER OG : rot 24:sc= 0.112 USER MOD Single : A 498 SER OG : rot 180:sc= 0 USER MOD Single : A 500 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 501 GLN : amide:sc= 0 K(o=0,f=-0.55) 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+ 163:sc= 0.863 (180deg=0.654) USER MOD Single : A 523 GLN : amide:sc= 0 X(o=0,f=-0.39) 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=-0.065) USER MOD Single : A 533 THR OG1 : rot -12:sc= 0.448 USER MOD Single : A 535 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 117 N TRP A 482 10.150 14.052 7.196 1.00 0.00 N ATOM 118 CA TRP A 482 9.878 15.315 7.903 1.00 0.00 C ATOM 119 C TRP A 482 8.892 15.128 9.071 1.00 0.00 C ATOM 120 O TRP A 482 8.085 14.191 9.081 1.00 0.00 O ATOM 121 CB TRP A 482 9.333 16.362 6.915 1.00 0.00 C ATOM 122 CG TRP A 482 10.326 16.963 5.961 1.00 0.00 C ATOM 123 CD1 TRP A 482 10.920 16.323 4.928 1.00 0.00 C ATOM 124 CD2 TRP A 482 10.867 18.323 5.940 1.00 0.00 C ATOM 125 NE1 TRP A 482 11.769 17.184 4.263 1.00 0.00 N ATOM 126 CE2 TRP A 482 11.799 18.421 4.862 1.00 0.00 C ATOM 127 CE3 TRP A 482 10.692 19.483 6.729 1.00 0.00 C ATOM 128 CZ2 TRP A 482 12.535 19.583 4.596 1.00 0.00 C ATOM 129 CZ3 TRP A 482 11.413 20.664 6.466 1.00 0.00 C ATOM 130 CH2 TRP A 482 12.338 20.715 5.406 1.00 0.00 C ATOM 0 HA TRP A 482 10.820 15.663 8.326 1.00 0.00 H new ATOM 0 HB2 TRP A 482 8.537 15.899 6.332 1.00 0.00 H new ATOM 0 HB3 TRP A 482 8.879 17.170 7.489 1.00 0.00 H new ATOM 0 HD1 TRP A 482 10.754 15.289 4.662 1.00 0.00 H new ATOM 0 HE1 TRP A 482 12.306 16.934 3.433 1.00 0.00 H new ATOM 0 HE3 TRP A 482 9.991 19.463 7.550 1.00 0.00 H new ATOM 0 HZ2 TRP A 482 13.243 19.609 3.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 482 11.255 21.537 7.082 1.00 0.00 H new ATOM 0 HH2 TRP A 482 12.894 21.621 5.216 1.00 0.00 H new ATOM 141 N VAL A 483 8.911 16.065 10.023 1.00 0.00 N ATOM 142 CA VAL A 483 8.008 16.091 11.184 1.00 0.00 C ATOM 143 C VAL A 483 7.336 17.451 11.333 1.00 0.00 C ATOM 144 O VAL A 483 7.956 18.498 11.137 1.00 0.00 O ATOM 145 CB VAL A 483 8.714 15.705 12.501 1.00 0.00 C ATOM 146 CG1 VAL A 483 9.084 14.219 12.508 1.00 0.00 C ATOM 147 CG2 VAL A 483 9.969 16.536 12.807 1.00 0.00 C ATOM 0 H VAL A 483 9.568 16.845 10.011 1.00 0.00 H new ATOM 0 HA VAL A 483 7.246 15.336 10.988 1.00 0.00 H new ATOM 0 HB VAL A 483 7.988 15.921 13.285 1.00 0.00 H new ATOM 0 HG11 VAL A 483 9.580 13.972 13.447 1.00 0.00 H new ATOM 0 HG12 VAL A 483 8.180 13.618 12.406 1.00 0.00 H new ATOM 0 HG13 VAL A 483 9.756 14.007 11.676 1.00 0.00 H new ATOM 0 HG21 VAL A 483 10.406 16.203 13.748 1.00 0.00 H new ATOM 0 HG22 VAL A 483 10.695 16.407 12.004 1.00 0.00 H new ATOM 0 HG23 VAL A 483 9.698 17.589 12.885 1.00 0.00 H new ATOM 157 N LEU A 484 6.058 17.424 11.710 1.00 0.00 N ATOM 158 CA LEU A 484 5.220 18.601 11.915 1.00 0.00 C ATOM 159 C LEU A 484 4.933 18.726 13.420 1.00 0.00 C ATOM 160 O LEU A 484 4.363 17.824 14.043 1.00 0.00 O ATOM 161 CB LEU A 484 3.969 18.488 11.011 1.00 0.00 C ATOM 162 CG LEU A 484 3.374 19.865 10.640 1.00 0.00 C ATOM 163 CD1 LEU A 484 2.658 19.809 9.290 1.00 0.00 C ATOM 164 CD2 LEU A 484 2.370 20.356 11.680 1.00 0.00 C ATOM 0 H LEU A 484 5.562 16.550 11.887 1.00 0.00 H new ATOM 0 HA LEU A 484 5.709 19.529 11.619 1.00 0.00 H new ATOM 0 HB2 LEU A 484 4.232 17.953 10.099 1.00 0.00 H new ATOM 0 HB3 LEU A 484 3.210 17.894 11.521 1.00 0.00 H new ATOM 0 HG LEU A 484 4.217 20.555 10.596 1.00 0.00 H new ATOM 0 HD11 LEU A 484 2.249 20.791 9.054 1.00 0.00 H new ATOM 0 HD12 LEU A 484 3.366 19.515 8.515 1.00 0.00 H new ATOM 0 HD13 LEU A 484 1.848 19.081 9.338 1.00 0.00 H new ATOM 0 HD21 LEU A 484 1.978 21.327 11.377 1.00 0.00 H new ATOM 0 HD22 LEU A 484 1.550 19.642 11.759 1.00 0.00 H new ATOM 0 HD23 LEU A 484 2.864 20.450 12.647 1.00 0.00 H new ATOM 176 N CYS A 485 5.411 19.816 14.021 1.00 0.00 N ATOM 177 CA CYS A 485 5.232 20.124 15.440 1.00 0.00 C ATOM 178 C CYS A 485 3.742 20.285 15.787 1.00 0.00 C ATOM 179 O CYS A 485 3.065 21.135 15.212 1.00 0.00 O ATOM 180 CB CYS A 485 6.004 21.419 15.730 1.00 0.00 C ATOM 181 SG CYS A 485 7.762 21.066 15.989 1.00 0.00 S ATOM 0 H CYS A 485 5.946 20.527 13.522 1.00 0.00 H new ATOM 0 HA CYS A 485 5.612 19.308 16.055 1.00 0.00 H new ATOM 0 HB2 CYS A 485 5.885 22.114 14.899 1.00 0.00 H new ATOM 0 HB3 CYS A 485 5.591 21.905 16.614 1.00 0.00 H new ATOM 0 HG CYS A 485 8.018 21.047 17.263 1.00 0.00 H new ATOM 187 N ASN A 486 3.233 19.507 16.751 1.00 0.00 N ATOM 188 CA ASN A 486 1.832 19.590 17.190 1.00 0.00 C ATOM 189 C ASN A 486 1.607 20.567 18.363 1.00 0.00 C ATOM 190 O ASN A 486 0.461 20.920 18.645 1.00 0.00 O ATOM 191 CB ASN A 486 1.309 18.173 17.516 1.00 0.00 C ATOM 192 CG ASN A 486 0.519 17.529 16.381 1.00 0.00 C ATOM 193 OD1 ASN A 486 0.429 18.015 15.260 1.00 0.00 O ATOM 194 ND2 ASN A 486 -0.129 16.420 16.656 1.00 0.00 N ATOM 0 H ASN A 486 3.779 18.803 17.248 1.00 0.00 H new ATOM 0 HA ASN A 486 1.257 20.008 16.364 1.00 0.00 H new ATOM 0 HB2 ASN A 486 2.155 17.533 17.766 1.00 0.00 H new ATOM 0 HB3 ASN A 486 0.676 18.225 18.402 1.00 0.00 H new ATOM 0 HD21 ASN A 486 -0.700 15.972 15.939 1.00 0.00 H new ATOM 0 HD22 ASN A 486 -0.061 16.007 17.586 1.00 0.00 H new ATOM 201 N TYR A 487 2.681 21.032 19.013 1.00 0.00 N ATOM 202 CA TYR A 487 2.648 21.970 20.142 1.00 0.00 C ATOM 203 C TYR A 487 3.865 22.906 20.099 1.00 0.00 C ATOM 204 O TYR A 487 4.933 22.526 19.608 1.00 0.00 O ATOM 205 CB TYR A 487 2.630 21.185 21.469 1.00 0.00 C ATOM 206 CG TYR A 487 1.503 20.172 21.584 1.00 0.00 C ATOM 207 CD1 TYR A 487 0.212 20.596 21.958 1.00 0.00 C ATOM 208 CD2 TYR A 487 1.730 18.821 21.249 1.00 0.00 C ATOM 209 CE1 TYR A 487 -0.857 19.678 21.976 1.00 0.00 C ATOM 210 CE2 TYR A 487 0.665 17.900 21.267 1.00 0.00 C ATOM 211 CZ TYR A 487 -0.633 18.328 21.621 1.00 0.00 C ATOM 212 OH TYR A 487 -1.666 17.442 21.607 1.00 0.00 O ATOM 0 H TYR A 487 3.629 20.756 18.759 1.00 0.00 H new ATOM 0 HA TYR A 487 1.745 22.576 20.070 1.00 0.00 H new ATOM 0 HB2 TYR A 487 3.582 20.666 21.583 1.00 0.00 H new ATOM 0 HB3 TYR A 487 2.552 21.892 22.295 1.00 0.00 H new ATOM 0 HD1 TYR A 487 0.042 21.627 22.231 1.00 0.00 H new ATOM 0 HD2 TYR A 487 2.722 18.492 20.978 1.00 0.00 H new ATOM 0 HE1 TYR A 487 -1.846 20.005 22.261 1.00 0.00 H new ATOM 0 HE2 TYR A 487 0.841 16.866 21.010 1.00 0.00 H new ATOM 0 HH TYR A 487 -1.336 16.559 21.339 1.00 0.00 H new ATOM 222 N ASP A 488 3.721 24.128 20.615 1.00 0.00 N ATOM 223 CA ASP A 488 4.852 25.044 20.797 1.00 0.00 C ATOM 224 C ASP A 488 5.757 24.632 21.975 1.00 0.00 C ATOM 225 O ASP A 488 5.309 24.025 22.955 1.00 0.00 O ATOM 226 CB ASP A 488 4.360 26.491 20.955 1.00 0.00 C ATOM 227 CG ASP A 488 3.759 26.781 22.342 1.00 0.00 C ATOM 228 OD1 ASP A 488 2.565 26.464 22.568 1.00 0.00 O ATOM 229 OD2 ASP A 488 4.470 27.357 23.201 1.00 0.00 O ATOM 0 H ASP A 488 2.825 24.510 20.917 1.00 0.00 H new ATOM 0 HA ASP A 488 5.463 24.983 19.897 1.00 0.00 H new ATOM 0 HB2 ASP A 488 5.192 27.172 20.778 1.00 0.00 H new ATOM 0 HB3 ASP A 488 3.610 26.698 20.191 1.00 0.00 H new ATOM 234 N PHE A 489 7.037 24.998 21.885 1.00 0.00 N ATOM 235 CA PHE A 489 8.054 24.788 22.920 1.00 0.00 C ATOM 236 C PHE A 489 9.169 25.818 22.722 1.00 0.00 C ATOM 237 O PHE A 489 9.876 25.775 21.715 1.00 0.00 O ATOM 238 CB PHE A 489 8.588 23.349 22.816 1.00 0.00 C ATOM 239 CG PHE A 489 9.718 22.967 23.760 1.00 0.00 C ATOM 240 CD1 PHE A 489 9.440 22.616 25.095 1.00 0.00 C ATOM 241 CD2 PHE A 489 11.044 22.899 23.287 1.00 0.00 C ATOM 242 CE1 PHE A 489 10.479 22.198 25.947 1.00 0.00 C ATOM 243 CE2 PHE A 489 12.080 22.454 24.130 1.00 0.00 C ATOM 244 CZ PHE A 489 11.797 22.115 25.464 1.00 0.00 C ATOM 0 H PHE A 489 7.409 25.466 21.059 1.00 0.00 H new ATOM 0 HA PHE A 489 7.633 24.920 23.917 1.00 0.00 H new ATOM 0 HB2 PHE A 489 7.757 22.665 22.987 1.00 0.00 H new ATOM 0 HB3 PHE A 489 8.930 23.186 21.794 1.00 0.00 H new ATOM 0 HD1 PHE A 489 8.427 22.668 25.466 1.00 0.00 H new ATOM 0 HD2 PHE A 489 11.267 23.190 22.271 1.00 0.00 H new ATOM 0 HE1 PHE A 489 10.264 21.941 26.974 1.00 0.00 H new ATOM 0 HE2 PHE A 489 13.089 22.373 23.753 1.00 0.00 H new ATOM 0 HZ PHE A 489 12.592 21.791 26.119 1.00 0.00 H new ATOM 254 N GLN A 490 9.305 26.778 23.641 1.00 0.00 N ATOM 255 CA GLN A 490 10.396 27.759 23.613 1.00 0.00 C ATOM 256 C GLN A 490 11.667 27.145 24.226 1.00 0.00 C ATOM 257 O GLN A 490 11.633 26.649 25.357 1.00 0.00 O ATOM 258 CB GLN A 490 9.955 29.034 24.355 1.00 0.00 C ATOM 259 CG GLN A 490 10.938 30.197 24.129 1.00 0.00 C ATOM 260 CD GLN A 490 10.485 31.496 24.801 1.00 0.00 C ATOM 261 OE1 GLN A 490 9.965 31.519 25.912 1.00 0.00 O ATOM 262 NE2 GLN A 490 10.662 32.636 24.163 1.00 0.00 N ATOM 0 H GLN A 490 8.663 26.898 24.425 1.00 0.00 H new ATOM 0 HA GLN A 490 10.629 28.033 22.584 1.00 0.00 H new ATOM 0 HB2 GLN A 490 8.962 29.327 24.015 1.00 0.00 H new ATOM 0 HB3 GLN A 490 9.878 28.825 25.422 1.00 0.00 H new ATOM 0 HG2 GLN A 490 11.919 29.917 24.513 1.00 0.00 H new ATOM 0 HG3 GLN A 490 11.052 30.368 23.058 1.00 0.00 H new ATOM 0 HE21 GLN A 490 11.092 32.641 23.238 1.00 0.00 H new ATOM 0 HE22 GLN A 490 10.369 33.513 24.594 1.00 0.00 H new ATOM 271 N ALA A 491 12.787 27.185 23.494 1.00 0.00 N ATOM 272 CA ALA A 491 14.057 26.587 23.917 1.00 0.00 C ATOM 273 C ALA A 491 15.267 27.384 23.407 1.00 0.00 C ATOM 274 O ALA A 491 15.416 27.604 22.204 1.00 0.00 O ATOM 275 CB ALA A 491 14.121 25.150 23.411 1.00 0.00 C ATOM 0 H ALA A 491 12.836 27.639 22.582 1.00 0.00 H new ATOM 0 HA ALA A 491 14.099 26.605 25.006 1.00 0.00 H new ATOM 0 HB1 ALA A 491 15.063 24.697 23.721 1.00 0.00 H new ATOM 0 HB2 ALA A 491 13.290 24.580 23.827 1.00 0.00 H new ATOM 0 HB3 ALA A 491 14.056 25.144 22.323 1.00 0.00 H new ATOM 330 N SER A 495 22.382 24.735 23.166 1.00 0.00 N ATOM 331 CA SER A 495 22.238 23.964 21.905 1.00 0.00 C ATOM 332 C SER A 495 20.783 23.653 21.481 1.00 0.00 C ATOM 333 O SER A 495 20.553 22.955 20.492 1.00 0.00 O ATOM 334 CB SER A 495 23.090 22.679 21.909 1.00 0.00 C ATOM 335 OG SER A 495 24.436 22.941 22.293 1.00 0.00 O ATOM 0 HA SER A 495 22.621 24.643 21.144 1.00 0.00 H new ATOM 0 HB2 SER A 495 22.651 21.953 22.594 1.00 0.00 H new ATOM 0 HB3 SER A 495 23.076 22.230 20.916 1.00 0.00 H new ATOM 0 HG SER A 495 24.470 23.764 22.824 1.00 0.00 H new ATOM 341 N GLU A 496 19.785 24.183 22.194 1.00 0.00 N ATOM 342 CA GLU A 496 18.350 23.969 21.925 1.00 0.00 C ATOM 343 C GLU A 496 17.767 25.036 20.972 1.00 0.00 C ATOM 344 O GLU A 496 18.408 26.055 20.694 1.00 0.00 O ATOM 345 CB GLU A 496 17.589 23.963 23.253 1.00 0.00 C ATOM 346 CG GLU A 496 18.128 22.967 24.290 1.00 0.00 C ATOM 347 CD GLU A 496 18.395 21.540 23.787 1.00 0.00 C ATOM 348 OE1 GLU A 496 17.416 20.777 23.648 1.00 0.00 O ATOM 349 OE2 GLU A 496 19.575 21.148 23.615 1.00 0.00 O ATOM 0 H GLU A 496 19.952 24.790 22.997 1.00 0.00 H new ATOM 0 HA GLU A 496 18.237 23.007 21.424 1.00 0.00 H new ATOM 0 HB2 GLU A 496 17.620 24.965 23.680 1.00 0.00 H new ATOM 0 HB3 GLU A 496 16.542 23.733 23.056 1.00 0.00 H new ATOM 0 HG2 GLU A 496 19.057 23.366 24.697 1.00 0.00 H new ATOM 0 HG3 GLU A 496 17.417 22.912 25.114 1.00 0.00 H new ATOM 356 N LEU A 497 16.538 24.813 20.483 1.00 0.00 N ATOM 357 CA LEU A 497 15.829 25.748 19.594 1.00 0.00 C ATOM 358 C LEU A 497 14.302 25.703 19.782 1.00 0.00 C ATOM 359 O LEU A 497 13.710 24.627 19.879 1.00 0.00 O ATOM 360 CB LEU A 497 16.199 25.402 18.137 1.00 0.00 C ATOM 361 CG LEU A 497 15.634 26.378 17.084 1.00 0.00 C ATOM 362 CD1 LEU A 497 16.661 27.446 16.705 1.00 0.00 C ATOM 363 CD2 LEU A 497 15.213 25.617 15.834 1.00 0.00 C ATOM 0 H LEU A 497 16.003 23.971 20.695 1.00 0.00 H new ATOM 0 HA LEU A 497 16.138 26.763 19.844 1.00 0.00 H new ATOM 0 HB2 LEU A 497 17.285 25.379 18.047 1.00 0.00 H new ATOM 0 HB3 LEU A 497 15.839 24.398 17.913 1.00 0.00 H new ATOM 0 HG LEU A 497 14.768 26.872 17.524 1.00 0.00 H new ATOM 0 HD11 LEU A 497 16.231 28.117 15.961 1.00 0.00 H new ATOM 0 HD12 LEU A 497 16.937 28.016 17.592 1.00 0.00 H new ATOM 0 HD13 LEU A 497 17.548 26.967 16.291 1.00 0.00 H new ATOM 0 HD21 LEU A 497 14.816 26.317 15.099 1.00 0.00 H new ATOM 0 HD22 LEU A 497 16.076 25.100 15.414 1.00 0.00 H new ATOM 0 HD23 LEU A 497 14.445 24.888 16.093 1.00 0.00 H new ATOM 375 N SER A 498 13.663 26.877 19.801 1.00 0.00 N ATOM 376 CA SER A 498 12.203 27.020 19.844 1.00 0.00 C ATOM 377 C SER A 498 11.486 26.454 18.603 1.00 0.00 C ATOM 378 O SER A 498 12.030 26.443 17.495 1.00 0.00 O ATOM 379 CB SER A 498 11.814 28.491 20.050 1.00 0.00 C ATOM 380 OG SER A 498 12.333 29.320 19.024 1.00 0.00 O ATOM 0 H SER A 498 14.154 27.771 19.787 1.00 0.00 H new ATOM 0 HA SER A 498 11.869 26.423 20.692 1.00 0.00 H new ATOM 0 HB2 SER A 498 10.728 28.580 20.075 1.00 0.00 H new ATOM 0 HB3 SER A 498 12.184 28.833 21.016 1.00 0.00 H new ATOM 0 HG SER A 498 12.064 30.248 19.186 1.00 0.00 H new ATOM 386 N VAL A 499 10.229 26.027 18.787 1.00 0.00 N ATOM 387 CA VAL A 499 9.337 25.488 17.740 1.00 0.00 C ATOM 388 C VAL A 499 7.878 25.882 18.005 1.00 0.00 C ATOM 389 O VAL A 499 7.516 26.209 19.140 1.00 0.00 O ATOM 390 CB VAL A 499 9.441 23.949 17.615 1.00 0.00 C ATOM 391 CG1 VAL A 499 10.830 23.483 17.161 1.00 0.00 C ATOM 392 CG2 VAL A 499 9.078 23.205 18.908 1.00 0.00 C ATOM 0 H VAL A 499 9.784 26.047 19.705 1.00 0.00 H new ATOM 0 HA VAL A 499 9.666 25.927 16.798 1.00 0.00 H new ATOM 0 HB VAL A 499 8.706 23.698 16.850 1.00 0.00 H new ATOM 0 HG11 VAL A 499 10.844 22.395 17.091 1.00 0.00 H new ATOM 0 HG12 VAL A 499 11.057 23.912 16.185 1.00 0.00 H new ATOM 0 HG13 VAL A 499 11.578 23.810 17.884 1.00 0.00 H new ATOM 0 HG21 VAL A 499 9.173 22.131 18.749 1.00 0.00 H new ATOM 0 HG22 VAL A 499 9.752 23.514 19.707 1.00 0.00 H new ATOM 0 HG23 VAL A 499 8.051 23.441 19.188 1.00 0.00 H new ATOM 402 N LYS A 500 7.034 25.823 16.966 1.00 0.00 N ATOM 403 CA LYS A 500 5.621 26.262 16.967 1.00 0.00 C ATOM 404 C LYS A 500 4.694 25.157 16.447 1.00 0.00 C ATOM 405 O LYS A 500 5.121 24.305 15.676 1.00 0.00 O ATOM 406 CB LYS A 500 5.453 27.505 16.065 1.00 0.00 C ATOM 407 CG LYS A 500 6.440 28.666 16.282 1.00 0.00 C ATOM 408 CD LYS A 500 6.471 29.289 17.687 1.00 0.00 C ATOM 409 CE LYS A 500 5.117 29.800 18.195 1.00 0.00 C ATOM 410 NZ LYS A 500 4.607 30.950 17.396 1.00 0.00 N ATOM 0 H LYS A 500 7.324 25.453 16.061 1.00 0.00 H new ATOM 0 HA LYS A 500 5.352 26.499 17.996 1.00 0.00 H new ATOM 0 HB2 LYS A 500 5.532 27.183 15.027 1.00 0.00 H new ATOM 0 HB3 LYS A 500 4.442 27.889 16.203 1.00 0.00 H new ATOM 0 HG2 LYS A 500 7.443 28.310 16.045 1.00 0.00 H new ATOM 0 HG3 LYS A 500 6.204 29.453 15.566 1.00 0.00 H new ATOM 0 HD2 LYS A 500 6.850 28.547 18.390 1.00 0.00 H new ATOM 0 HD3 LYS A 500 7.179 30.118 17.686 1.00 0.00 H new ATOM 0 HE2 LYS A 500 4.390 28.988 18.163 1.00 0.00 H new ATOM 0 HE3 LYS A 500 5.213 30.100 19.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 500 3.690 31.259 17.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 500 5.286 31.736 17.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 500 4.488 30.659 16.405 1.00 0.00 H new ATOM 424 N GLN A 501 3.400 25.242 16.761 1.00 0.00 N ATOM 425 CA GLN A 501 2.352 24.292 16.322 1.00 0.00 C ATOM 426 C GLN A 501 2.103 24.263 14.789 1.00 0.00 C ATOM 427 O GLN A 501 1.361 23.418 14.282 1.00 0.00 O ATOM 428 CB GLN A 501 1.075 24.586 17.138 1.00 0.00 C ATOM 429 CG GLN A 501 -0.130 23.686 16.802 1.00 0.00 C ATOM 430 CD GLN A 501 -1.279 23.744 17.810 1.00 0.00 C ATOM 431 OE1 GLN A 501 -1.219 24.361 18.868 1.00 0.00 O ATOM 432 NE2 GLN A 501 -2.398 23.118 17.501 1.00 0.00 N ATOM 0 H GLN A 501 3.032 25.993 17.345 1.00 0.00 H new ATOM 0 HA GLN A 501 2.701 23.279 16.524 1.00 0.00 H new ATOM 0 HB2 GLN A 501 1.306 24.479 18.198 1.00 0.00 H new ATOM 0 HB3 GLN A 501 0.790 25.626 16.977 1.00 0.00 H new ATOM 0 HG2 GLN A 501 -0.512 23.967 15.821 1.00 0.00 H new ATOM 0 HG3 GLN A 501 0.215 22.655 16.726 1.00 0.00 H new ATOM 0 HE21 GLN A 501 -2.467 22.599 16.625 1.00 0.00 H new ATOM 0 HE22 GLN A 501 -3.194 23.152 18.138 1.00 0.00 H new ATOM 441 N ARG A 502 2.734 25.168 14.027 1.00 0.00 N ATOM 442 CA ARG A 502 2.670 25.226 12.554 1.00 0.00 C ATOM 443 C ARG A 502 4.051 25.258 11.888 1.00 0.00 C ATOM 444 O ARG A 502 4.150 25.550 10.694 1.00 0.00 O ATOM 445 CB ARG A 502 1.759 26.391 12.118 1.00 0.00 C ATOM 446 CG ARG A 502 0.291 26.140 12.510 1.00 0.00 C ATOM 447 CD ARG A 502 -0.654 27.221 11.973 1.00 0.00 C ATOM 448 NE ARG A 502 -0.720 27.218 10.496 1.00 0.00 N ATOM 449 CZ ARG A 502 -1.317 28.118 9.734 1.00 0.00 C ATOM 450 NH1 ARG A 502 -1.972 29.129 10.236 1.00 0.00 N ATOM 451 NH2 ARG A 502 -1.267 28.018 8.436 1.00 0.00 N ATOM 0 H ARG A 502 3.320 25.901 14.426 1.00 0.00 H new ATOM 0 HA ARG A 502 2.225 24.296 12.199 1.00 0.00 H new ATOM 0 HB2 ARG A 502 2.106 27.316 12.578 1.00 0.00 H new ATOM 0 HB3 ARG A 502 1.830 26.525 11.039 1.00 0.00 H new ATOM 0 HG2 ARG A 502 -0.022 25.167 12.130 1.00 0.00 H new ATOM 0 HG3 ARG A 502 0.210 26.099 13.596 1.00 0.00 H new ATOM 0 HD2 ARG A 502 -1.653 27.064 12.380 1.00 0.00 H new ATOM 0 HD3 ARG A 502 -0.319 28.199 12.319 1.00 0.00 H new ATOM 0 HE ARG A 502 -0.259 26.444 10.017 1.00 0.00 H new ATOM 0 HH11 ARG A 502 -2.035 29.244 11.248 1.00 0.00 H new ATOM 0 HH12 ARG A 502 -2.420 29.804 9.617 1.00 0.00 H new ATOM 0 HH21 ARG A 502 -0.765 27.242 8.003 1.00 0.00 H new ATOM 0 HH22 ARG A 502 -1.729 28.715 7.853 1.00 0.00 H new ATOM 465 N ASP A 503 5.112 24.919 12.627 1.00 0.00 N ATOM 466 CA ASP A 503 6.438 24.712 12.036 1.00 0.00 C ATOM 467 C ASP A 503 6.614 23.233 11.645 1.00 0.00 C ATOM 468 O ASP A 503 6.328 22.319 12.425 1.00 0.00 O ATOM 469 CB ASP A 503 7.548 25.174 12.999 1.00 0.00 C ATOM 470 CG ASP A 503 7.760 26.703 13.050 1.00 0.00 C ATOM 471 OD1 ASP A 503 7.022 27.480 12.395 1.00 0.00 O ATOM 472 OD2 ASP A 503 8.710 27.134 13.746 1.00 0.00 O ATOM 0 H ASP A 503 5.078 24.782 13.637 1.00 0.00 H new ATOM 0 HA ASP A 503 6.519 25.318 11.133 1.00 0.00 H new ATOM 0 HB2 ASP A 503 7.311 24.820 14.002 1.00 0.00 H new ATOM 0 HB3 ASP A 503 8.485 24.700 12.707 1.00 0.00 H new ATOM 477 N VAL A 504 7.119 23.002 10.430 1.00 0.00 N ATOM 478 CA VAL A 504 7.563 21.684 9.950 1.00 0.00 C ATOM 479 C VAL A 504 9.088 21.711 9.815 1.00 0.00 C ATOM 480 O VAL A 504 9.659 22.696 9.333 1.00 0.00 O ATOM 481 CB VAL A 504 6.829 21.289 8.648 1.00 0.00 C ATOM 482 CG1 VAL A 504 7.294 22.058 7.404 1.00 0.00 C ATOM 483 CG2 VAL A 504 6.925 19.786 8.372 1.00 0.00 C ATOM 0 H VAL A 504 7.234 23.740 9.735 1.00 0.00 H new ATOM 0 HA VAL A 504 7.303 20.904 10.666 1.00 0.00 H new ATOM 0 HB VAL A 504 5.791 21.567 8.832 1.00 0.00 H new ATOM 0 HG11 VAL A 504 6.729 21.720 6.535 1.00 0.00 H new ATOM 0 HG12 VAL A 504 7.128 23.125 7.553 1.00 0.00 H new ATOM 0 HG13 VAL A 504 8.356 21.876 7.239 1.00 0.00 H new ATOM 0 HG21 VAL A 504 6.396 19.551 7.448 1.00 0.00 H new ATOM 0 HG22 VAL A 504 7.972 19.500 8.273 1.00 0.00 H new ATOM 0 HG23 VAL A 504 6.475 19.235 9.198 1.00 0.00 H new ATOM 493 N LEU A 505 9.757 20.661 10.292 1.00 0.00 N ATOM 494 CA LEU A 505 11.217 20.580 10.387 1.00 0.00 C ATOM 495 C LEU A 505 11.714 19.196 9.940 1.00 0.00 C ATOM 496 O LEU A 505 10.952 18.225 9.893 1.00 0.00 O ATOM 497 CB LEU A 505 11.712 20.909 11.818 1.00 0.00 C ATOM 498 CG LEU A 505 11.193 22.223 12.449 1.00 0.00 C ATOM 499 CD1 LEU A 505 9.956 21.982 13.320 1.00 0.00 C ATOM 500 CD2 LEU A 505 12.236 22.867 13.367 1.00 0.00 C ATOM 0 H LEU A 505 9.288 19.821 10.632 1.00 0.00 H new ATOM 0 HA LEU A 505 11.635 21.329 9.715 1.00 0.00 H new ATOM 0 HB2 LEU A 505 11.432 20.084 12.473 1.00 0.00 H new ATOM 0 HB3 LEU A 505 12.801 20.947 11.801 1.00 0.00 H new ATOM 0 HG LEU A 505 10.961 22.873 11.606 1.00 0.00 H new ATOM 0 HD11 LEU A 505 9.621 22.928 13.746 1.00 0.00 H new ATOM 0 HD12 LEU A 505 9.159 21.556 12.710 1.00 0.00 H new ATOM 0 HD13 LEU A 505 10.207 21.291 14.124 1.00 0.00 H new ATOM 0 HD21 LEU A 505 11.831 23.787 13.789 1.00 0.00 H new ATOM 0 HD22 LEU A 505 12.487 22.177 14.173 1.00 0.00 H new ATOM 0 HD23 LEU A 505 13.134 23.096 12.793 1.00 0.00 H new ATOM 512 N GLU A 506 13.006 19.100 9.629 1.00 0.00 N ATOM 513 CA GLU A 506 13.624 17.880 9.097 1.00 0.00 C ATOM 514 C GLU A 506 14.595 17.266 10.111 1.00 0.00 C ATOM 515 O GLU A 506 15.497 17.939 10.614 1.00 0.00 O ATOM 516 CB GLU A 506 14.262 18.188 7.735 1.00 0.00 C ATOM 517 CG GLU A 506 15.202 17.134 7.125 1.00 0.00 C ATOM 518 CD GLU A 506 14.747 15.659 7.197 1.00 0.00 C ATOM 519 OE1 GLU A 506 13.556 15.370 7.464 1.00 0.00 O ATOM 520 OE2 GLU A 506 15.618 14.783 6.971 1.00 0.00 O ATOM 0 H GLU A 506 13.662 19.873 9.739 1.00 0.00 H new ATOM 0 HA GLU A 506 12.864 17.116 8.931 1.00 0.00 H new ATOM 0 HB2 GLU A 506 13.457 18.371 7.023 1.00 0.00 H new ATOM 0 HB3 GLU A 506 14.821 19.119 7.830 1.00 0.00 H new ATOM 0 HG2 GLU A 506 15.361 17.388 6.077 1.00 0.00 H new ATOM 0 HG3 GLU A 506 16.169 17.214 7.622 1.00 0.00 H new ATOM 527 N VAL A 507 14.362 15.991 10.435 1.00 0.00 N ATOM 528 CA VAL A 507 15.054 15.217 11.477 1.00 0.00 C ATOM 529 C VAL A 507 16.467 14.833 11.037 1.00 0.00 C ATOM 530 O VAL A 507 16.660 14.163 10.019 1.00 0.00 O ATOM 531 CB VAL A 507 14.253 13.951 11.846 1.00 0.00 C ATOM 532 CG1 VAL A 507 14.872 13.234 13.053 1.00 0.00 C ATOM 533 CG2 VAL A 507 12.797 14.285 12.205 1.00 0.00 C ATOM 0 H VAL A 507 13.650 15.440 9.955 1.00 0.00 H new ATOM 0 HA VAL A 507 15.130 15.853 12.359 1.00 0.00 H new ATOM 0 HB VAL A 507 14.281 13.308 10.966 1.00 0.00 H new ATOM 0 HG11 VAL A 507 14.285 12.346 13.289 1.00 0.00 H new ATOM 0 HG12 VAL A 507 15.895 12.941 12.817 1.00 0.00 H new ATOM 0 HG13 VAL A 507 14.876 13.905 13.912 1.00 0.00 H new ATOM 0 HG21 VAL A 507 12.265 13.368 12.459 1.00 0.00 H new ATOM 0 HG22 VAL A 507 12.779 14.963 13.058 1.00 0.00 H new ATOM 0 HG23 VAL A 507 12.312 14.761 11.353 1.00 0.00 H new ATOM 543 N LEU A 508 17.461 15.229 11.834 1.00 0.00 N ATOM 544 CA LEU A 508 18.887 15.018 11.564 1.00 0.00 C ATOM 545 C LEU A 508 19.477 13.893 12.435 1.00 0.00 C ATOM 546 O LEU A 508 20.317 13.124 11.963 1.00 0.00 O ATOM 547 CB LEU A 508 19.643 16.336 11.805 1.00 0.00 C ATOM 548 CG LEU A 508 19.102 17.560 11.040 1.00 0.00 C ATOM 549 CD1 LEU A 508 19.922 18.786 11.434 1.00 0.00 C ATOM 550 CD2 LEU A 508 19.151 17.388 9.521 1.00 0.00 C ATOM 0 H LEU A 508 17.292 15.720 12.712 1.00 0.00 H new ATOM 0 HA LEU A 508 18.999 14.708 10.525 1.00 0.00 H new ATOM 0 HB2 LEU A 508 19.621 16.557 12.872 1.00 0.00 H new ATOM 0 HB3 LEU A 508 20.688 16.191 11.531 1.00 0.00 H new ATOM 0 HG LEU A 508 18.053 17.678 11.312 1.00 0.00 H new ATOM 0 HD11 LEU A 508 19.550 19.660 10.900 1.00 0.00 H new ATOM 0 HD12 LEU A 508 19.834 18.953 12.508 1.00 0.00 H new ATOM 0 HD13 LEU A 508 20.968 18.622 11.177 1.00 0.00 H new ATOM 0 HD21 LEU A 508 18.757 18.283 9.041 1.00 0.00 H new ATOM 0 HD22 LEU A 508 20.183 17.231 9.206 1.00 0.00 H new ATOM 0 HD23 LEU A 508 18.549 16.526 9.233 1.00 0.00 H new ATOM 562 N ASP A 509 18.997 13.760 13.676 1.00 0.00 N ATOM 563 CA ASP A 509 19.333 12.684 14.613 1.00 0.00 C ATOM 564 C ASP A 509 18.133 12.380 15.528 1.00 0.00 C ATOM 565 O ASP A 509 17.493 13.291 16.059 1.00 0.00 O ATOM 566 CB ASP A 509 20.547 13.069 15.478 1.00 0.00 C ATOM 567 CG ASP A 509 21.880 12.992 14.715 1.00 0.00 C ATOM 568 OD1 ASP A 509 22.366 11.861 14.464 1.00 0.00 O ATOM 569 OD2 ASP A 509 22.479 14.055 14.415 1.00 0.00 O ATOM 0 H ASP A 509 18.335 14.428 14.071 1.00 0.00 H new ATOM 0 HA ASP A 509 19.581 11.797 14.030 1.00 0.00 H new ATOM 0 HB2 ASP A 509 20.410 14.082 15.856 1.00 0.00 H new ATOM 0 HB3 ASP A 509 20.592 12.409 16.344 1.00 0.00 H new ATOM 574 N ASP A 510 17.861 11.089 15.734 1.00 0.00 N ATOM 575 CA ASP A 510 16.715 10.542 16.483 1.00 0.00 C ATOM 576 C ASP A 510 17.139 9.472 17.521 1.00 0.00 C ATOM 577 O ASP A 510 16.319 8.695 18.016 1.00 0.00 O ATOM 578 CB ASP A 510 15.666 10.002 15.490 1.00 0.00 C ATOM 579 CG ASP A 510 16.142 8.769 14.694 1.00 0.00 C ATOM 580 OD1 ASP A 510 17.058 8.897 13.845 1.00 0.00 O ATOM 581 OD2 ASP A 510 15.582 7.661 14.885 1.00 0.00 O ATOM 0 H ASP A 510 18.464 10.353 15.365 1.00 0.00 H new ATOM 0 HA ASP A 510 16.268 11.349 17.064 1.00 0.00 H new ATOM 0 HB2 ASP A 510 14.760 9.742 16.038 1.00 0.00 H new ATOM 0 HB3 ASP A 510 15.399 10.794 14.790 1.00 0.00 H new ATOM 586 N SER A 511 18.441 9.412 17.836 1.00 0.00 N ATOM 587 CA SER A 511 19.069 8.423 18.730 1.00 0.00 C ATOM 588 C SER A 511 18.624 8.504 20.202 1.00 0.00 C ATOM 589 O SER A 511 18.646 7.487 20.903 1.00 0.00 O ATOM 590 CB SER A 511 20.595 8.567 18.645 1.00 0.00 C ATOM 591 OG SER A 511 21.001 9.898 18.937 1.00 0.00 O ATOM 0 H SER A 511 19.115 10.079 17.460 1.00 0.00 H new ATOM 0 HA SER A 511 18.736 7.446 18.379 1.00 0.00 H new ATOM 0 HB2 SER A 511 21.068 7.878 19.344 1.00 0.00 H new ATOM 0 HB3 SER A 511 20.934 8.291 17.647 1.00 0.00 H new ATOM 0 HG SER A 511 21.977 9.963 18.878 1.00 0.00 H new ATOM 597 N ARG A 512 18.197 9.687 20.670 1.00 0.00 N ATOM 598 CA ARG A 512 17.728 9.981 22.041 1.00 0.00 C ATOM 599 C ARG A 512 16.355 10.673 22.030 1.00 0.00 C ATOM 600 O ARG A 512 15.815 10.958 20.962 1.00 0.00 O ATOM 601 CB ARG A 512 18.780 10.859 22.751 1.00 0.00 C ATOM 602 CG ARG A 512 20.218 10.322 22.717 1.00 0.00 C ATOM 603 CD ARG A 512 20.379 8.936 23.361 1.00 0.00 C ATOM 604 NE ARG A 512 21.332 8.930 24.492 1.00 0.00 N ATOM 605 CZ ARG A 512 22.652 8.939 24.433 1.00 0.00 C ATOM 606 NH1 ARG A 512 23.306 9.018 23.306 1.00 0.00 N ATOM 607 NH2 ARG A 512 23.355 8.868 25.529 1.00 0.00 N ATOM 0 H ARG A 512 18.166 10.513 20.072 1.00 0.00 H new ATOM 0 HA ARG A 512 17.607 9.043 22.583 1.00 0.00 H new ATOM 0 HB2 ARG A 512 18.769 11.849 22.295 1.00 0.00 H new ATOM 0 HB3 ARG A 512 18.481 10.984 23.792 1.00 0.00 H new ATOM 0 HG2 ARG A 512 20.552 10.272 21.681 1.00 0.00 H new ATOM 0 HG3 ARG A 512 20.872 11.028 23.229 1.00 0.00 H new ATOM 0 HD2 ARG A 512 19.407 8.589 23.711 1.00 0.00 H new ATOM 0 HD3 ARG A 512 20.717 8.227 22.605 1.00 0.00 H new ATOM 0 HE ARG A 512 20.923 8.917 25.426 1.00 0.00 H new ATOM 0 HH11 ARG A 512 22.797 9.076 22.424 1.00 0.00 H new ATOM 0 HH12 ARG A 512 24.326 9.022 23.307 1.00 0.00 H new ATOM 0 HH21 ARG A 512 22.886 8.805 26.433 1.00 0.00 H new ATOM 0 HH22 ARG A 512 24.374 8.875 25.483 1.00 0.00 H new ATOM 621 N LYS A 513 15.790 10.979 23.211 1.00 0.00 N ATOM 622 CA LYS A 513 14.524 11.736 23.360 1.00 0.00 C ATOM 623 C LYS A 513 14.565 13.102 22.665 1.00 0.00 C ATOM 624 O LYS A 513 13.599 13.508 22.020 1.00 0.00 O ATOM 625 CB LYS A 513 14.205 11.901 24.859 1.00 0.00 C ATOM 626 CG LYS A 513 12.925 12.713 25.145 1.00 0.00 C ATOM 627 CD LYS A 513 12.661 12.877 26.648 1.00 0.00 C ATOM 628 CE LYS A 513 13.610 13.904 27.282 1.00 0.00 C ATOM 629 NZ LYS A 513 13.481 13.918 28.764 1.00 0.00 N ATOM 0 H LYS A 513 16.201 10.706 24.104 1.00 0.00 H new ATOM 0 HA LYS A 513 13.735 11.165 22.870 1.00 0.00 H new ATOM 0 HB2 LYS A 513 14.104 10.913 25.309 1.00 0.00 H new ATOM 0 HB3 LYS A 513 15.049 12.389 25.347 1.00 0.00 H new ATOM 0 HG2 LYS A 513 13.012 13.697 24.684 1.00 0.00 H new ATOM 0 HG3 LYS A 513 12.072 12.218 24.681 1.00 0.00 H new ATOM 0 HD2 LYS A 513 11.629 13.190 26.804 1.00 0.00 H new ATOM 0 HD3 LYS A 513 12.781 11.915 27.146 1.00 0.00 H new ATOM 0 HE2 LYS A 513 14.638 13.670 27.007 1.00 0.00 H new ATOM 0 HE3 LYS A 513 13.392 14.896 26.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 513 14.135 14.622 29.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 513 12.505 14.165 29.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 513 13.713 12.977 29.142 1.00 0.00 H new ATOM 643 N TRP A 514 15.685 13.805 22.810 1.00 0.00 N ATOM 644 CA TRP A 514 15.947 15.084 22.157 1.00 0.00 C ATOM 645 C TRP A 514 16.341 14.844 20.693 1.00 0.00 C ATOM 646 O TRP A 514 17.475 14.458 20.398 1.00 0.00 O ATOM 647 CB TRP A 514 17.015 15.849 22.949 1.00 0.00 C ATOM 648 CG TRP A 514 16.616 16.181 24.357 1.00 0.00 C ATOM 649 CD1 TRP A 514 16.863 15.429 25.456 1.00 0.00 C ATOM 650 CD2 TRP A 514 15.878 17.347 24.835 1.00 0.00 C ATOM 651 NE1 TRP A 514 16.315 16.038 26.571 1.00 0.00 N ATOM 652 CE2 TRP A 514 15.678 17.217 26.242 1.00 0.00 C ATOM 653 CE3 TRP A 514 15.376 18.516 24.225 1.00 0.00 C ATOM 654 CZ2 TRP A 514 14.987 18.178 26.997 1.00 0.00 C ATOM 655 CZ3 TRP A 514 14.695 19.493 24.972 1.00 0.00 C ATOM 656 CH2 TRP A 514 14.487 19.324 26.353 1.00 0.00 C ATOM 0 H TRP A 514 16.456 13.492 23.401 1.00 0.00 H new ATOM 0 HA TRP A 514 15.050 15.703 22.146 1.00 0.00 H new ATOM 0 HB2 TRP A 514 17.929 15.255 22.973 1.00 0.00 H new ATOM 0 HB3 TRP A 514 17.249 16.774 22.422 1.00 0.00 H new ATOM 0 HD1 TRP A 514 17.406 14.495 25.461 1.00 0.00 H new ATOM 0 HE1 TRP A 514 16.374 15.663 27.518 1.00 0.00 H new ATOM 0 HE3 TRP A 514 15.518 18.663 23.164 1.00 0.00 H new ATOM 0 HZ2 TRP A 514 14.841 18.039 28.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 514 14.328 20.382 24.481 1.00 0.00 H new ATOM 0 HH2 TRP A 514 13.946 20.070 26.916 1.00 0.00 H new ATOM 667 N TRP A 515 15.391 15.028 19.776 1.00 0.00 N ATOM 668 CA TRP A 515 15.618 14.928 18.332 1.00 0.00 C ATOM 669 C TRP A 515 16.250 16.221 17.816 1.00 0.00 C ATOM 670 O TRP A 515 15.749 17.319 18.084 1.00 0.00 O ATOM 671 CB TRP A 515 14.296 14.631 17.599 1.00 0.00 C ATOM 672 CG TRP A 515 13.785 13.219 17.694 1.00 0.00 C ATOM 673 CD1 TRP A 515 14.109 12.324 18.653 1.00 0.00 C ATOM 674 CD2 TRP A 515 12.882 12.503 16.790 1.00 0.00 C ATOM 675 NE1 TRP A 515 13.499 11.112 18.408 1.00 0.00 N ATOM 676 CE2 TRP A 515 12.725 11.164 17.271 1.00 0.00 C ATOM 677 CE3 TRP A 515 12.185 12.839 15.607 1.00 0.00 C ATOM 678 CZ2 TRP A 515 11.938 10.210 16.611 1.00 0.00 C ATOM 679 CZ3 TRP A 515 11.396 11.884 14.933 1.00 0.00 C ATOM 680 CH2 TRP A 515 11.277 10.574 15.427 1.00 0.00 C ATOM 0 H TRP A 515 14.426 15.254 20.018 1.00 0.00 H new ATOM 0 HA TRP A 515 16.303 14.104 18.135 1.00 0.00 H new ATOM 0 HB2 TRP A 515 13.530 15.300 17.991 1.00 0.00 H new ATOM 0 HB3 TRP A 515 14.426 14.878 16.545 1.00 0.00 H new ATOM 0 HD1 TRP A 515 14.755 12.529 19.494 1.00 0.00 H new ATOM 0 HE1 TRP A 515 13.607 10.284 18.994 1.00 0.00 H new ATOM 0 HE3 TRP A 515 12.258 13.842 15.213 1.00 0.00 H new ATOM 0 HZ2 TRP A 515 11.842 9.210 17.007 1.00 0.00 H new ATOM 0 HZ3 TRP A 515 10.878 12.163 14.027 1.00 0.00 H new ATOM 0 HH2 TRP A 515 10.678 9.848 14.897 1.00 0.00 H new ATOM 691 N LYS A 516 17.348 16.093 17.064 1.00 0.00 N ATOM 692 CA LYS A 516 17.963 17.216 16.349 1.00 0.00 C ATOM 693 C LYS A 516 17.187 17.487 15.063 1.00 0.00 C ATOM 694 O LYS A 516 16.909 16.554 14.305 1.00 0.00 O ATOM 695 CB LYS A 516 19.438 16.914 16.045 1.00 0.00 C ATOM 696 CG LYS A 516 20.155 18.196 15.598 1.00 0.00 C ATOM 697 CD LYS A 516 21.615 17.959 15.200 1.00 0.00 C ATOM 698 CE LYS A 516 22.160 19.269 14.621 1.00 0.00 C ATOM 699 NZ LYS A 516 23.579 19.166 14.198 1.00 0.00 N ATOM 0 H LYS A 516 17.836 15.207 16.934 1.00 0.00 H new ATOM 0 HA LYS A 516 17.926 18.107 16.976 1.00 0.00 H new ATOM 0 HB2 LYS A 516 19.924 16.506 16.931 1.00 0.00 H new ATOM 0 HB3 LYS A 516 19.509 16.157 15.264 1.00 0.00 H new ATOM 0 HG2 LYS A 516 19.620 18.629 14.753 1.00 0.00 H new ATOM 0 HG3 LYS A 516 20.119 18.926 16.406 1.00 0.00 H new ATOM 0 HD2 LYS A 516 22.202 17.650 16.065 1.00 0.00 H new ATOM 0 HD3 LYS A 516 21.685 17.158 14.465 1.00 0.00 H new ATOM 0 HE2 LYS A 516 21.552 19.564 13.766 1.00 0.00 H new ATOM 0 HE3 LYS A 516 22.065 20.058 15.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 23.811 19.958 13.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 24.194 19.200 15.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 23.727 18.267 13.696 1.00 0.00 H new ATOM 713 N VAL A 517 16.887 18.753 14.786 1.00 0.00 N ATOM 714 CA VAL A 517 16.145 19.182 13.591 1.00 0.00 C ATOM 715 C VAL A 517 16.713 20.465 12.970 1.00 0.00 C ATOM 716 O VAL A 517 17.380 21.257 13.645 1.00 0.00 O ATOM 717 CB VAL A 517 14.638 19.359 13.889 1.00 0.00 C ATOM 718 CG1 VAL A 517 13.917 18.036 14.165 1.00 0.00 C ATOM 719 CG2 VAL A 517 14.356 20.305 15.064 1.00 0.00 C ATOM 0 H VAL A 517 17.155 19.528 15.393 1.00 0.00 H new ATOM 0 HA VAL A 517 16.266 18.381 12.861 1.00 0.00 H new ATOM 0 HB VAL A 517 14.248 19.800 12.971 1.00 0.00 H new ATOM 0 HG11 VAL A 517 12.864 18.231 14.367 1.00 0.00 H new ATOM 0 HG12 VAL A 517 14.006 17.385 13.295 1.00 0.00 H new ATOM 0 HG13 VAL A 517 14.368 17.549 15.030 1.00 0.00 H new ATOM 0 HG21 VAL A 517 13.280 20.383 15.218 1.00 0.00 H new ATOM 0 HG22 VAL A 517 14.824 19.913 15.967 1.00 0.00 H new ATOM 0 HG23 VAL A 517 14.764 21.291 14.843 1.00 0.00 H new ATOM 729 N ARG A 518 16.413 20.680 11.681 1.00 0.00 N ATOM 730 CA ARG A 518 16.713 21.903 10.916 1.00 0.00 C ATOM 731 C ARG A 518 15.421 22.685 10.665 1.00 0.00 C ATOM 732 O ARG A 518 14.489 22.183 10.032 1.00 0.00 O ATOM 733 CB ARG A 518 17.368 21.524 9.575 1.00 0.00 C ATOM 734 CG ARG A 518 18.109 22.713 8.937 1.00 0.00 C ATOM 735 CD ARG A 518 18.353 22.512 7.436 1.00 0.00 C ATOM 736 NE ARG A 518 19.100 21.271 7.141 1.00 0.00 N ATOM 737 CZ ARG A 518 19.113 20.615 5.993 1.00 0.00 C ATOM 738 NH1 ARG A 518 18.486 21.050 4.934 1.00 0.00 N ATOM 739 NH2 ARG A 518 19.767 19.495 5.880 1.00 0.00 N ATOM 0 H ARG A 518 15.934 19.978 11.117 1.00 0.00 H new ATOM 0 HA ARG A 518 17.401 22.528 11.486 1.00 0.00 H new ATOM 0 HB2 ARG A 518 18.068 20.703 9.733 1.00 0.00 H new ATOM 0 HB3 ARG A 518 16.603 21.163 8.888 1.00 0.00 H new ATOM 0 HG2 ARG A 518 17.529 23.623 9.089 1.00 0.00 H new ATOM 0 HG3 ARG A 518 19.064 22.855 9.442 1.00 0.00 H new ATOM 0 HD2 ARG A 518 17.395 22.487 6.916 1.00 0.00 H new ATOM 0 HD3 ARG A 518 18.906 23.366 7.044 1.00 0.00 H new ATOM 0 HE ARG A 518 19.661 20.882 7.899 1.00 0.00 H new ATOM 0 HH11 ARG A 518 17.963 21.925 4.975 1.00 0.00 H new ATOM 0 HH12 ARG A 518 18.520 20.515 4.066 1.00 0.00 H new ATOM 0 HH21 ARG A 518 20.274 19.118 6.680 1.00 0.00 H new ATOM 0 HH22 ARG A 518 19.772 18.995 4.991 1.00 0.00 H new ATOM 753 N ASP A 519 15.360 23.907 11.176 1.00 0.00 N ATOM 754 CA ASP A 519 14.296 24.886 10.911 1.00 0.00 C ATOM 755 C ASP A 519 14.423 25.556 9.519 1.00 0.00 C ATOM 756 O ASP A 519 15.510 25.556 8.925 1.00 0.00 O ATOM 757 CB ASP A 519 14.341 25.946 12.020 1.00 0.00 C ATOM 758 CG ASP A 519 15.746 26.539 12.150 1.00 0.00 C ATOM 759 OD1 ASP A 519 16.540 25.957 12.920 1.00 0.00 O ATOM 760 OD2 ASP A 519 16.045 27.544 11.461 1.00 0.00 O ATOM 0 H ASP A 519 16.074 24.264 11.811 1.00 0.00 H new ATOM 0 HA ASP A 519 13.340 24.363 10.905 1.00 0.00 H new ATOM 0 HB2 ASP A 519 13.626 26.739 11.800 1.00 0.00 H new ATOM 0 HB3 ASP A 519 14.041 25.500 12.968 1.00 0.00 H new ATOM 765 N PRO A 520 13.342 26.167 8.991 1.00 0.00 N ATOM 766 CA PRO A 520 13.348 26.813 7.672 1.00 0.00 C ATOM 767 C PRO A 520 14.180 28.108 7.576 1.00 0.00 C ATOM 768 O PRO A 520 14.443 28.572 6.463 1.00 0.00 O ATOM 769 CB PRO A 520 11.873 27.074 7.345 1.00 0.00 C ATOM 770 CG PRO A 520 11.208 27.183 8.714 1.00 0.00 C ATOM 771 CD PRO A 520 11.988 26.162 9.536 1.00 0.00 C ATOM 0 HA PRO A 520 13.840 26.156 6.955 1.00 0.00 H new ATOM 0 HB2 PRO A 520 11.748 27.989 6.766 1.00 0.00 H new ATOM 0 HB3 PRO A 520 11.445 26.263 6.756 1.00 0.00 H new ATOM 0 HG2 PRO A 520 11.292 28.188 9.128 1.00 0.00 H new ATOM 0 HG3 PRO A 520 10.145 26.944 8.670 1.00 0.00 H new ATOM 0 HD2 PRO A 520 11.990 26.430 10.593 1.00 0.00 H new ATOM 0 HD3 PRO A 520 11.539 25.172 9.459 1.00 0.00 H new ATOM 779 N ALA A 521 14.611 28.696 8.700 1.00 0.00 N ATOM 780 CA ALA A 521 15.481 29.879 8.710 1.00 0.00 C ATOM 781 C ALA A 521 16.969 29.535 8.467 1.00 0.00 C ATOM 782 O ALA A 521 17.757 30.417 8.111 1.00 0.00 O ATOM 783 CB ALA A 521 15.290 30.632 10.034 1.00 0.00 C ATOM 0 H ALA A 521 14.365 28.363 9.632 1.00 0.00 H new ATOM 0 HA ALA A 521 15.189 30.519 7.878 1.00 0.00 H new ATOM 0 HB1 ALA A 521 15.933 31.512 10.048 1.00 0.00 H new ATOM 0 HB2 ALA A 521 14.249 30.942 10.130 1.00 0.00 H new ATOM 0 HB3 ALA A 521 15.552 29.978 10.866 1.00 0.00 H new ATOM 789 N GLY A 522 17.353 28.263 8.634 1.00 0.00 N ATOM 790 CA GLY A 522 18.693 27.738 8.349 1.00 0.00 C ATOM 791 C GLY A 522 19.551 27.455 9.591 1.00 0.00 C ATOM 792 O GLY A 522 20.744 27.169 9.443 1.00 0.00 O ATOM 0 H GLY A 522 16.716 27.547 8.983 1.00 0.00 H new ATOM 0 HA2 GLY A 522 18.593 26.816 7.776 1.00 0.00 H new ATOM 0 HA3 GLY A 522 19.220 28.451 7.715 1.00 0.00 H new ATOM 796 N GLN A 523 18.985 27.545 10.799 1.00 0.00 N ATOM 797 CA GLN A 523 19.660 27.162 12.046 1.00 0.00 C ATOM 798 C GLN A 523 19.507 25.638 12.298 1.00 0.00 C ATOM 799 O GLN A 523 18.983 24.892 11.462 1.00 0.00 O ATOM 800 CB GLN A 523 19.117 28.020 13.214 1.00 0.00 C ATOM 801 CG GLN A 523 19.244 29.544 13.034 1.00 0.00 C ATOM 802 CD GLN A 523 20.539 30.118 13.609 1.00 0.00 C ATOM 803 OE1 GLN A 523 21.642 29.653 13.339 1.00 0.00 O ATOM 804 NE2 GLN A 523 20.463 31.148 14.429 1.00 0.00 N ATOM 0 H GLN A 523 18.035 27.889 10.941 1.00 0.00 H new ATOM 0 HA GLN A 523 20.729 27.358 11.966 1.00 0.00 H new ATOM 0 HB2 GLN A 523 18.065 27.776 13.362 1.00 0.00 H new ATOM 0 HB3 GLN A 523 19.642 27.735 14.126 1.00 0.00 H new ATOM 0 HG2 GLN A 523 19.190 29.783 11.972 1.00 0.00 H new ATOM 0 HG3 GLN A 523 18.395 30.031 13.514 1.00 0.00 H new ATOM 0 HE21 GLN A 523 19.554 31.547 14.664 1.00 0.00 H new ATOM 0 HE22 GLN A 523 21.313 31.546 14.828 1.00 0.00 H new ATOM 813 N GLU A 524 19.993 25.161 13.447 1.00 0.00 N ATOM 814 CA GLU A 524 19.792 23.792 13.949 1.00 0.00 C ATOM 815 C GLU A 524 19.627 23.806 15.480 1.00 0.00 C ATOM 816 O GLU A 524 20.160 24.687 16.168 1.00 0.00 O ATOM 817 CB GLU A 524 20.995 22.895 13.592 1.00 0.00 C ATOM 818 CG GLU A 524 21.152 22.578 12.095 1.00 0.00 C ATOM 819 CD GLU A 524 22.391 21.712 11.771 1.00 0.00 C ATOM 820 OE1 GLU A 524 23.281 21.511 12.637 1.00 0.00 O ATOM 821 OE2 GLU A 524 22.495 21.229 10.617 1.00 0.00 O ATOM 0 H GLU A 524 20.556 25.733 14.077 1.00 0.00 H new ATOM 0 HA GLU A 524 18.892 23.394 13.480 1.00 0.00 H new ATOM 0 HB2 GLU A 524 21.906 23.380 13.942 1.00 0.00 H new ATOM 0 HB3 GLU A 524 20.903 21.956 14.138 1.00 0.00 H new ATOM 0 HG2 GLU A 524 20.258 22.062 11.746 1.00 0.00 H new ATOM 0 HG3 GLU A 524 21.218 23.513 11.539 1.00 0.00 H new ATOM 828 N GLY A 525 18.931 22.810 16.034 1.00 0.00 N ATOM 829 CA GLY A 525 18.797 22.627 17.483 1.00 0.00 C ATOM 830 C GLY A 525 17.996 21.387 17.877 1.00 0.00 C ATOM 831 O GLY A 525 17.628 20.575 17.022 1.00 0.00 O ATOM 0 H GLY A 525 18.441 22.103 15.487 1.00 0.00 H new ATOM 0 HA2 GLY A 525 19.791 22.561 17.925 1.00 0.00 H new ATOM 0 HA3 GLY A 525 18.317 23.508 17.908 1.00 0.00 H new ATOM 835 N TYR A 526 17.730 21.247 19.178 1.00 0.00 N ATOM 836 CA TYR A 526 17.149 20.042 19.776 1.00 0.00 C ATOM 837 C TYR A 526 15.800 20.326 20.460 1.00 0.00 C ATOM 838 O TYR A 526 15.596 21.408 21.023 1.00 0.00 O ATOM 839 CB TYR A 526 18.152 19.487 20.790 1.00 0.00 C ATOM 840 CG TYR A 526 19.339 18.755 20.185 1.00 0.00 C ATOM 841 CD1 TYR A 526 20.451 19.470 19.695 1.00 0.00 C ATOM 842 CD2 TYR A 526 19.344 17.349 20.131 1.00 0.00 C ATOM 843 CE1 TYR A 526 21.559 18.785 19.162 1.00 0.00 C ATOM 844 CE2 TYR A 526 20.454 16.655 19.615 1.00 0.00 C ATOM 845 CZ TYR A 526 21.569 17.374 19.129 1.00 0.00 C ATOM 846 OH TYR A 526 22.649 16.714 18.629 1.00 0.00 O ATOM 0 H TYR A 526 17.916 21.983 19.859 1.00 0.00 H new ATOM 0 HA TYR A 526 16.951 19.315 18.988 1.00 0.00 H new ATOM 0 HB2 TYR A 526 18.524 20.311 21.399 1.00 0.00 H new ATOM 0 HB3 TYR A 526 17.628 18.806 21.461 1.00 0.00 H new ATOM 0 HD1 TYR A 526 20.453 20.549 19.729 1.00 0.00 H new ATOM 0 HD2 TYR A 526 18.488 16.797 20.489 1.00 0.00 H new ATOM 0 HE1 TYR A 526 22.402 19.340 18.778 1.00 0.00 H new ATOM 0 HE2 TYR A 526 20.454 15.575 19.590 1.00 0.00 H new ATOM 0 HH TYR A 526 22.494 15.748 18.680 1.00 0.00 H new ATOM 856 N VAL A 527 14.896 19.337 20.410 1.00 0.00 N ATOM 857 CA VAL A 527 13.540 19.352 21.000 1.00 0.00 C ATOM 858 C VAL A 527 13.055 17.928 21.339 1.00 0.00 C ATOM 859 O VAL A 527 13.494 16.973 20.693 1.00 0.00 O ATOM 860 CB VAL A 527 12.505 20.005 20.050 1.00 0.00 C ATOM 861 CG1 VAL A 527 12.624 21.529 20.035 1.00 0.00 C ATOM 862 CG2 VAL A 527 12.577 19.506 18.601 1.00 0.00 C ATOM 0 H VAL A 527 15.096 18.458 19.934 1.00 0.00 H new ATOM 0 HA VAL A 527 13.616 19.942 21.913 1.00 0.00 H new ATOM 0 HB VAL A 527 11.543 19.702 20.464 1.00 0.00 H new ATOM 0 HG11 VAL A 527 11.880 21.945 19.356 1.00 0.00 H new ATOM 0 HG12 VAL A 527 12.456 21.917 21.040 1.00 0.00 H new ATOM 0 HG13 VAL A 527 13.621 21.813 19.699 1.00 0.00 H new ATOM 0 HG21 VAL A 527 11.819 20.013 18.003 1.00 0.00 H new ATOM 0 HG22 VAL A 527 13.565 19.719 18.192 1.00 0.00 H new ATOM 0 HG23 VAL A 527 12.398 18.431 18.577 1.00 0.00 H new ATOM 872 N PRO A 528 12.149 17.739 22.323 1.00 0.00 N ATOM 873 CA PRO A 528 11.640 16.412 22.686 1.00 0.00 C ATOM 874 C PRO A 528 10.734 15.821 21.593 1.00 0.00 C ATOM 875 O PRO A 528 9.845 16.502 21.083 1.00 0.00 O ATOM 876 CB PRO A 528 10.868 16.620 23.998 1.00 0.00 C ATOM 877 CG PRO A 528 10.443 18.089 23.956 1.00 0.00 C ATOM 878 CD PRO A 528 11.570 18.765 23.181 1.00 0.00 C ATOM 0 HA PRO A 528 12.454 15.696 22.800 1.00 0.00 H new ATOM 0 HB2 PRO A 528 10.005 15.958 24.061 1.00 0.00 H new ATOM 0 HB3 PRO A 528 11.494 16.411 24.866 1.00 0.00 H new ATOM 0 HG2 PRO A 528 9.482 18.214 23.457 1.00 0.00 H new ATOM 0 HG3 PRO A 528 10.339 18.505 24.958 1.00 0.00 H new ATOM 0 HD2 PRO A 528 11.190 19.598 22.589 1.00 0.00 H new ATOM 0 HD3 PRO A 528 12.319 19.172 23.860 1.00 0.00 H new ATOM 886 N TYR A 529 10.887 14.529 21.278 1.00 0.00 N ATOM 887 CA TYR A 529 10.022 13.834 20.307 1.00 0.00 C ATOM 888 C TYR A 529 8.534 13.771 20.705 1.00 0.00 C ATOM 889 O TYR A 529 7.676 13.597 19.841 1.00 0.00 O ATOM 890 CB TYR A 529 10.562 12.428 20.007 1.00 0.00 C ATOM 891 CG TYR A 529 10.199 11.346 21.013 1.00 0.00 C ATOM 892 CD1 TYR A 529 10.942 11.209 22.199 1.00 0.00 C ATOM 893 CD2 TYR A 529 9.128 10.467 20.757 1.00 0.00 C ATOM 894 CE1 TYR A 529 10.637 10.186 23.119 1.00 0.00 C ATOM 895 CE2 TYR A 529 8.810 9.447 21.678 1.00 0.00 C ATOM 896 CZ TYR A 529 9.570 9.302 22.860 1.00 0.00 C ATOM 897 OH TYR A 529 9.282 8.314 23.751 1.00 0.00 O ATOM 0 H TYR A 529 11.609 13.935 21.685 1.00 0.00 H new ATOM 0 HA TYR A 529 10.056 14.442 19.403 1.00 0.00 H new ATOM 0 HB2 TYR A 529 10.197 12.122 19.026 1.00 0.00 H new ATOM 0 HB3 TYR A 529 11.648 12.484 19.940 1.00 0.00 H new ATOM 0 HD1 TYR A 529 11.752 11.893 22.406 1.00 0.00 H new ATOM 0 HD2 TYR A 529 8.548 10.575 19.852 1.00 0.00 H new ATOM 0 HE1 TYR A 529 11.220 10.079 24.022 1.00 0.00 H new ATOM 0 HE2 TYR A 529 7.986 8.777 21.480 1.00 0.00 H new ATOM 0 HH TYR A 529 8.519 7.793 23.426 1.00 0.00 H new ATOM 907 N ASN A 530 8.217 13.945 21.995 1.00 0.00 N ATOM 908 CA ASN A 530 6.857 13.901 22.552 1.00 0.00 C ATOM 909 C ASN A 530 5.873 14.885 21.870 1.00 0.00 C ATOM 910 O ASN A 530 4.687 14.577 21.730 1.00 0.00 O ATOM 911 CB ASN A 530 6.984 14.161 24.068 1.00 0.00 C ATOM 912 CG ASN A 530 5.724 13.818 24.853 1.00 0.00 C ATOM 913 OD1 ASN A 530 4.715 14.508 24.805 1.00 0.00 O ATOM 914 ND2 ASN A 530 5.750 12.756 25.630 1.00 0.00 N ATOM 0 H ASN A 530 8.926 14.127 22.706 1.00 0.00 H new ATOM 0 HA ASN A 530 6.419 12.921 22.360 1.00 0.00 H new ATOM 0 HB2 ASN A 530 7.817 13.577 24.460 1.00 0.00 H new ATOM 0 HB3 ASN A 530 7.228 15.211 24.229 1.00 0.00 H new ATOM 0 HD21 ASN A 530 4.932 12.512 26.188 1.00 0.00 H new ATOM 0 HD22 ASN A 530 6.588 12.177 25.674 1.00 0.00 H new ATOM 921 N ILE A 531 6.374 16.037 21.396 1.00 0.00 N ATOM 922 CA ILE A 531 5.584 17.098 20.733 1.00 0.00 C ATOM 923 C ILE A 531 5.697 17.084 19.195 1.00 0.00 C ATOM 924 O ILE A 531 5.076 17.909 18.516 1.00 0.00 O ATOM 925 CB ILE A 531 5.940 18.490 21.308 1.00 0.00 C ATOM 926 CG1 ILE A 531 7.394 18.902 20.983 1.00 0.00 C ATOM 927 CG2 ILE A 531 5.668 18.510 22.825 1.00 0.00 C ATOM 928 CD1 ILE A 531 7.762 20.316 21.432 1.00 0.00 C ATOM 0 H ILE A 531 7.366 16.266 21.463 1.00 0.00 H new ATOM 0 HA ILE A 531 4.539 16.882 20.955 1.00 0.00 H new ATOM 0 HB ILE A 531 5.302 19.231 20.827 1.00 0.00 H new ATOM 0 HG12 ILE A 531 8.074 18.194 21.457 1.00 0.00 H new ATOM 0 HG13 ILE A 531 7.550 18.823 19.907 1.00 0.00 H new ATOM 0 HG21 ILE A 531 5.920 19.491 23.227 1.00 0.00 H new ATOM 0 HG22 ILE A 531 4.614 18.302 23.008 1.00 0.00 H new ATOM 0 HG23 ILE A 531 6.278 17.750 23.314 1.00 0.00 H new ATOM 0 HD11 ILE A 531 8.798 20.524 21.166 1.00 0.00 H new ATOM 0 HD12 ILE A 531 7.109 21.036 20.939 1.00 0.00 H new ATOM 0 HD13 ILE A 531 7.642 20.398 22.512 1.00 0.00 H new ATOM 940 N LEU A 532 6.484 16.158 18.642 1.00 0.00 N ATOM 941 CA LEU A 532 6.663 15.959 17.202 1.00 0.00 C ATOM 942 C LEU A 532 5.724 14.849 16.706 1.00 0.00 C ATOM 943 O LEU A 532 5.451 13.877 17.414 1.00 0.00 O ATOM 944 CB LEU A 532 8.134 15.594 16.897 1.00 0.00 C ATOM 945 CG LEU A 532 9.195 16.548 17.479 1.00 0.00 C ATOM 946 CD1 LEU A 532 10.599 16.097 17.071 1.00 0.00 C ATOM 947 CD2 LEU A 532 9.003 17.993 17.018 1.00 0.00 C ATOM 0 H LEU A 532 7.032 15.505 19.202 1.00 0.00 H new ATOM 0 HA LEU A 532 6.418 16.885 16.681 1.00 0.00 H new ATOM 0 HB2 LEU A 532 8.326 14.591 17.278 1.00 0.00 H new ATOM 0 HB3 LEU A 532 8.262 15.554 15.815 1.00 0.00 H new ATOM 0 HG LEU A 532 9.077 16.512 18.562 1.00 0.00 H new ATOM 0 HD11 LEU A 532 11.337 16.781 17.490 1.00 0.00 H new ATOM 0 HD12 LEU A 532 10.782 15.091 17.448 1.00 0.00 H new ATOM 0 HD13 LEU A 532 10.680 16.097 15.984 1.00 0.00 H new ATOM 0 HD21 LEU A 532 9.778 18.621 17.458 1.00 0.00 H new ATOM 0 HD22 LEU A 532 9.071 18.040 15.931 1.00 0.00 H new ATOM 0 HD23 LEU A 532 8.023 18.349 17.336 1.00 0.00 H new ATOM 959 N THR A 533 5.265 14.973 15.460 1.00 0.00 N ATOM 960 CA THR A 533 4.475 13.943 14.757 1.00 0.00 C ATOM 961 C THR A 533 4.927 13.838 13.299 1.00 0.00 C ATOM 962 O THR A 533 5.481 14.810 12.774 1.00 0.00 O ATOM 963 CB THR A 533 2.959 14.223 14.836 1.00 0.00 C ATOM 964 OG1 THR A 533 2.616 15.532 14.430 1.00 0.00 O ATOM 965 CG2 THR A 533 2.408 13.993 16.246 1.00 0.00 C ATOM 0 H THR A 533 5.431 15.805 14.894 1.00 0.00 H new ATOM 0 HA THR A 533 4.653 12.991 15.257 1.00 0.00 H new ATOM 0 HB THR A 533 2.507 13.514 14.142 1.00 0.00 H new ATOM 0 HG1 THR A 533 3.428 16.076 14.361 1.00 0.00 H new ATOM 0 HG21 THR A 533 1.338 14.201 16.257 1.00 0.00 H new ATOM 0 HG22 THR A 533 2.579 12.957 16.539 1.00 0.00 H new ATOM 0 HG23 THR A 533 2.914 14.657 16.947 1.00 0.00 H new ATOM 973 N PRO A 534 4.730 12.690 12.621 1.00 0.00 N ATOM 974 CA PRO A 534 5.140 12.531 11.226 1.00 0.00 C ATOM 975 C PRO A 534 4.407 13.513 10.300 1.00 0.00 C ATOM 976 O PRO A 534 3.308 13.987 10.610 1.00 0.00 O ATOM 977 CB PRO A 534 4.844 11.067 10.874 1.00 0.00 C ATOM 978 CG PRO A 534 3.740 10.673 11.853 1.00 0.00 C ATOM 979 CD PRO A 534 4.104 11.464 13.106 1.00 0.00 C ATOM 0 HA PRO A 534 6.197 12.760 11.091 1.00 0.00 H new ATOM 0 HB2 PRO A 534 4.517 10.963 9.839 1.00 0.00 H new ATOM 0 HB3 PRO A 534 5.728 10.440 10.994 1.00 0.00 H new ATOM 0 HG2 PRO A 534 2.752 10.941 11.478 1.00 0.00 H new ATOM 0 HG3 PRO A 534 3.730 9.599 12.041 1.00 0.00 H new ATOM 0 HD2 PRO A 534 3.219 11.684 13.703 1.00 0.00 H new ATOM 0 HD3 PRO A 534 4.786 10.900 13.743 1.00 0.00 H new ATOM 987 N TYR A 535 4.990 13.762 9.124 1.00 0.00 N ATOM 988 CA TYR A 535 4.395 14.575 8.059 1.00 0.00 C ATOM 989 C TYR A 535 4.163 13.724 6.790 1.00 0.00 C ATOM 990 O TYR A 535 4.967 13.768 5.851 1.00 0.00 O ATOM 991 CB TYR A 535 5.230 15.846 7.826 1.00 0.00 C ATOM 992 CG TYR A 535 4.617 16.826 6.837 1.00 0.00 C ATOM 993 CD1 TYR A 535 3.260 17.204 6.947 1.00 0.00 C ATOM 994 CD2 TYR A 535 5.405 17.364 5.800 1.00 0.00 C ATOM 995 CE1 TYR A 535 2.694 18.097 6.017 1.00 0.00 C ATOM 996 CE2 TYR A 535 4.846 18.267 4.875 1.00 0.00 C ATOM 997 CZ TYR A 535 3.485 18.631 4.978 1.00 0.00 C ATOM 998 OH TYR A 535 2.933 19.496 4.084 1.00 0.00 O ATOM 0 H TYR A 535 5.910 13.395 8.880 1.00 0.00 H new ATOM 0 HA TYR A 535 3.407 14.920 8.364 1.00 0.00 H new ATOM 0 HB2 TYR A 535 5.373 16.353 8.780 1.00 0.00 H new ATOM 0 HB3 TYR A 535 6.218 15.557 7.468 1.00 0.00 H new ATOM 0 HD1 TYR A 535 2.654 16.806 7.748 1.00 0.00 H new ATOM 0 HD2 TYR A 535 6.444 17.082 5.714 1.00 0.00 H new ATOM 0 HE1 TYR A 535 1.653 18.373 6.099 1.00 0.00 H new ATOM 0 HE2 TYR A 535 5.458 18.681 4.087 1.00 0.00 H new ATOM 0 HH TYR A 535 3.612 19.772 3.433 1.00 0.00 H new