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 Set 1.1: A 486 ASN : amide:sc= 0.0221 X(o=0.73,f=0.69) USER MOD Set 1.2: A 533 THR OG1 : rot 35:sc= 0.705 USER MOD Single : A 485 CYS SG : rot -90:sc= -0.257 USER MOD Single : A 487 TYR OH : rot 180:sc= 0 USER MOD Single : A 490 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 495 SER OG : rot 180:sc= 0 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= 0.865 K(o=0.87,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+ -170:sc= 0 (180deg=-0.0427) USER MOD Single : A 523 GLN : amide:sc= 0 X(o=0,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 535 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 117 N TRP A 482 9.972 15.047 7.164 1.00 0.00 N ATOM 118 CA TRP A 482 9.639 16.226 7.955 1.00 0.00 C ATOM 119 C TRP A 482 8.621 15.875 9.052 1.00 0.00 C ATOM 120 O TRP A 482 7.776 14.986 8.885 1.00 0.00 O ATOM 121 CB TRP A 482 9.147 17.366 7.044 1.00 0.00 C ATOM 122 CG TRP A 482 10.123 17.860 6.003 1.00 0.00 C ATOM 123 CD1 TRP A 482 10.575 17.143 4.948 1.00 0.00 C ATOM 124 CD2 TRP A 482 10.802 19.159 5.898 1.00 0.00 C ATOM 125 NE1 TRP A 482 11.461 17.887 4.203 1.00 0.00 N ATOM 126 CE2 TRP A 482 11.656 19.128 4.751 1.00 0.00 C ATOM 127 CE3 TRP A 482 10.824 20.349 6.660 1.00 0.00 C ATOM 128 CZ2 TRP A 482 12.488 20.190 4.384 1.00 0.00 C ATOM 129 CZ3 TRP A 482 11.655 21.433 6.302 1.00 0.00 C ATOM 130 CH2 TRP A 482 12.485 21.354 5.168 1.00 0.00 C ATOM 0 HA TRP A 482 10.539 16.580 8.457 1.00 0.00 H new ATOM 0 HB2 TRP A 482 8.244 17.031 6.534 1.00 0.00 H new ATOM 0 HB3 TRP A 482 8.863 18.209 7.674 1.00 0.00 H new ATOM 0 HD1 TRP A 482 10.281 16.128 4.722 1.00 0.00 H new ATOM 0 HE1 TRP A 482 11.915 17.557 3.351 1.00 0.00 H new ATOM 0 HE3 TRP A 482 10.193 20.431 7.533 1.00 0.00 H new ATOM 0 HZ2 TRP A 482 13.122 20.116 3.513 1.00 0.00 H new ATOM 0 HZ3 TRP A 482 11.654 22.330 6.903 1.00 0.00 H new ATOM 0 HH2 TRP A 482 13.118 22.187 4.902 1.00 0.00 H new ATOM 141 N VAL A 483 8.688 16.596 10.167 1.00 0.00 N ATOM 142 CA VAL A 483 7.796 16.462 11.324 1.00 0.00 C ATOM 143 C VAL A 483 6.964 17.729 11.486 1.00 0.00 C ATOM 144 O VAL A 483 7.465 18.851 11.361 1.00 0.00 O ATOM 145 CB VAL A 483 8.557 16.125 12.627 1.00 0.00 C ATOM 146 CG1 VAL A 483 8.977 14.652 12.637 1.00 0.00 C ATOM 147 CG2 VAL A 483 9.796 16.992 12.883 1.00 0.00 C ATOM 0 H VAL A 483 9.393 17.321 10.299 1.00 0.00 H new ATOM 0 HA VAL A 483 7.132 15.619 11.132 1.00 0.00 H new ATOM 0 HB VAL A 483 7.850 16.339 13.429 1.00 0.00 H new ATOM 0 HG11 VAL A 483 9.511 14.432 13.561 1.00 0.00 H new ATOM 0 HG12 VAL A 483 8.091 14.021 12.571 1.00 0.00 H new ATOM 0 HG13 VAL A 483 9.628 14.453 11.786 1.00 0.00 H new ATOM 0 HG21 VAL A 483 10.267 16.687 13.817 1.00 0.00 H new ATOM 0 HG22 VAL A 483 10.503 16.868 12.063 1.00 0.00 H new ATOM 0 HG23 VAL A 483 9.500 18.039 12.951 1.00 0.00 H new ATOM 157 N LEU A 484 5.676 17.534 11.768 1.00 0.00 N ATOM 158 CA LEU A 484 4.731 18.592 12.090 1.00 0.00 C ATOM 159 C LEU A 484 4.629 18.692 13.616 1.00 0.00 C ATOM 160 O LEU A 484 4.035 17.827 14.265 1.00 0.00 O ATOM 161 CB LEU A 484 3.367 18.298 11.430 1.00 0.00 C ATOM 162 CG LEU A 484 2.402 19.501 11.487 1.00 0.00 C ATOM 163 CD1 LEU A 484 2.890 20.686 10.646 1.00 0.00 C ATOM 164 CD2 LEU A 484 1.027 19.088 10.962 1.00 0.00 C ATOM 0 H LEU A 484 5.253 16.606 11.778 1.00 0.00 H new ATOM 0 HA LEU A 484 5.069 19.552 11.700 1.00 0.00 H new ATOM 0 HB2 LEU A 484 3.526 18.015 10.389 1.00 0.00 H new ATOM 0 HB3 LEU A 484 2.905 17.444 11.926 1.00 0.00 H new ATOM 0 HG LEU A 484 2.352 19.812 12.531 1.00 0.00 H new ATOM 0 HD11 LEU A 484 2.174 21.505 10.721 1.00 0.00 H new ATOM 0 HD12 LEU A 484 3.861 21.018 11.014 1.00 0.00 H new ATOM 0 HD13 LEU A 484 2.982 20.379 9.604 1.00 0.00 H new ATOM 0 HD21 LEU A 484 0.350 19.941 11.005 1.00 0.00 H new ATOM 0 HD22 LEU A 484 1.118 18.748 9.930 1.00 0.00 H new ATOM 0 HD23 LEU A 484 0.631 18.279 11.576 1.00 0.00 H new ATOM 176 N CYS A 485 5.229 19.736 14.188 1.00 0.00 N ATOM 177 CA CYS A 485 5.059 20.091 15.598 1.00 0.00 C ATOM 178 C CYS A 485 3.567 20.145 15.973 1.00 0.00 C ATOM 179 O CYS A 485 2.781 20.805 15.292 1.00 0.00 O ATOM 180 CB CYS A 485 5.736 21.450 15.824 1.00 0.00 C ATOM 181 SG CYS A 485 7.505 21.234 16.134 1.00 0.00 S ATOM 0 H CYS A 485 5.852 20.365 13.682 1.00 0.00 H new ATOM 0 HA CYS A 485 5.518 19.336 16.236 1.00 0.00 H new ATOM 0 HB2 CYS A 485 5.589 22.086 14.951 1.00 0.00 H new ATOM 0 HB3 CYS A 485 5.272 21.958 16.670 1.00 0.00 H new ATOM 0 HG CYS A 485 7.708 21.095 17.410 1.00 0.00 H new ATOM 187 N ASN A 486 3.170 19.472 17.059 1.00 0.00 N ATOM 188 CA ASN A 486 1.774 19.431 17.529 1.00 0.00 C ATOM 189 C ASN A 486 1.550 20.213 18.839 1.00 0.00 C ATOM 190 O ASN A 486 0.404 20.499 19.194 1.00 0.00 O ATOM 191 CB ASN A 486 1.306 17.963 17.607 1.00 0.00 C ATOM 192 CG ASN A 486 0.403 17.605 16.436 1.00 0.00 C ATOM 193 OD1 ASN A 486 -0.767 17.281 16.601 1.00 0.00 O ATOM 194 ND2 ASN A 486 0.889 17.691 15.218 1.00 0.00 N ATOM 0 H ASN A 486 3.811 18.935 17.643 1.00 0.00 H new ATOM 0 HA ASN A 486 1.150 19.952 16.802 1.00 0.00 H new ATOM 0 HB2 ASN A 486 2.173 17.303 17.615 1.00 0.00 H new ATOM 0 HB3 ASN A 486 0.772 17.799 18.543 1.00 0.00 H new ATOM 0 HD21 ASN A 486 0.293 17.488 14.416 1.00 0.00 H new ATOM 0 HD22 ASN A 486 1.862 17.960 15.075 1.00 0.00 H new ATOM 201 N TYR A 487 2.632 20.635 19.497 1.00 0.00 N ATOM 202 CA TYR A 487 2.633 21.498 20.681 1.00 0.00 C ATOM 203 C TYR A 487 3.804 22.487 20.582 1.00 0.00 C ATOM 204 O TYR A 487 4.920 22.107 20.216 1.00 0.00 O ATOM 205 CB TYR A 487 2.750 20.638 21.951 1.00 0.00 C ATOM 206 CG TYR A 487 1.632 19.627 22.152 1.00 0.00 C ATOM 207 CD1 TYR A 487 1.718 18.341 21.576 1.00 0.00 C ATOM 208 CD2 TYR A 487 0.495 19.982 22.905 1.00 0.00 C ATOM 209 CE1 TYR A 487 0.665 17.419 21.739 1.00 0.00 C ATOM 210 CE2 TYR A 487 -0.557 19.062 23.076 1.00 0.00 C ATOM 211 CZ TYR A 487 -0.477 17.779 22.489 1.00 0.00 C ATOM 212 OH TYR A 487 -1.502 16.898 22.649 1.00 0.00 O ATOM 0 H TYR A 487 3.574 20.373 19.206 1.00 0.00 H new ATOM 0 HA TYR A 487 1.700 22.059 20.733 1.00 0.00 H new ATOM 0 HB2 TYR A 487 3.700 20.105 21.923 1.00 0.00 H new ATOM 0 HB3 TYR A 487 2.781 21.299 22.817 1.00 0.00 H new ATOM 0 HD1 TYR A 487 2.594 18.063 21.009 1.00 0.00 H new ATOM 0 HD2 TYR A 487 0.430 20.963 23.352 1.00 0.00 H new ATOM 0 HE1 TYR A 487 0.731 16.438 21.291 1.00 0.00 H new ATOM 0 HE2 TYR A 487 -1.426 19.337 23.656 1.00 0.00 H new ATOM 0 HH TYR A 487 -2.205 17.310 23.193 1.00 0.00 H new ATOM 222 N ASP A 488 3.558 23.762 20.885 1.00 0.00 N ATOM 223 CA ASP A 488 4.599 24.798 20.925 1.00 0.00 C ATOM 224 C ASP A 488 5.594 24.544 22.079 1.00 0.00 C ATOM 225 O ASP A 488 5.212 24.031 23.139 1.00 0.00 O ATOM 226 CB ASP A 488 3.967 26.189 21.101 1.00 0.00 C ATOM 227 CG ASP A 488 2.779 26.472 20.168 1.00 0.00 C ATOM 228 OD1 ASP A 488 1.622 26.186 20.558 1.00 0.00 O ATOM 229 OD2 ASP A 488 3.001 27.007 19.058 1.00 0.00 O ATOM 0 H ASP A 488 2.626 24.110 21.111 1.00 0.00 H new ATOM 0 HA ASP A 488 5.138 24.758 19.979 1.00 0.00 H new ATOM 0 HB2 ASP A 488 3.635 26.295 22.134 1.00 0.00 H new ATOM 0 HB3 ASP A 488 4.733 26.946 20.933 1.00 0.00 H new ATOM 234 N PHE A 489 6.859 24.942 21.905 1.00 0.00 N ATOM 235 CA PHE A 489 7.908 24.801 22.926 1.00 0.00 C ATOM 236 C PHE A 489 8.993 25.866 22.734 1.00 0.00 C ATOM 237 O PHE A 489 9.593 25.961 21.663 1.00 0.00 O ATOM 238 CB PHE A 489 8.498 23.384 22.840 1.00 0.00 C ATOM 239 CG PHE A 489 9.582 23.059 23.853 1.00 0.00 C ATOM 240 CD1 PHE A 489 9.231 22.657 25.156 1.00 0.00 C ATOM 241 CD2 PHE A 489 10.940 23.121 23.485 1.00 0.00 C ATOM 242 CE1 PHE A 489 10.231 22.334 26.090 1.00 0.00 C ATOM 243 CE2 PHE A 489 11.941 22.789 24.417 1.00 0.00 C ATOM 244 CZ PHE A 489 11.588 22.400 25.721 1.00 0.00 C ATOM 0 H PHE A 489 7.189 25.376 21.043 1.00 0.00 H new ATOM 0 HA PHE A 489 7.479 24.949 23.917 1.00 0.00 H new ATOM 0 HB2 PHE A 489 7.687 22.665 22.959 1.00 0.00 H new ATOM 0 HB3 PHE A 489 8.906 23.241 21.840 1.00 0.00 H new ATOM 0 HD1 PHE A 489 8.190 22.597 25.439 1.00 0.00 H new ATOM 0 HD2 PHE A 489 11.214 23.424 22.485 1.00 0.00 H new ATOM 0 HE1 PHE A 489 9.958 22.035 27.091 1.00 0.00 H new ATOM 0 HE2 PHE A 489 12.981 22.833 24.130 1.00 0.00 H new ATOM 0 HZ PHE A 489 12.356 22.152 26.438 1.00 0.00 H new ATOM 254 N GLN A 490 9.255 26.672 23.767 1.00 0.00 N ATOM 255 CA GLN A 490 10.272 27.727 23.747 1.00 0.00 C ATOM 256 C GLN A 490 11.546 27.248 24.467 1.00 0.00 C ATOM 257 O GLN A 490 11.476 26.681 25.561 1.00 0.00 O ATOM 258 CB GLN A 490 9.673 28.998 24.376 1.00 0.00 C ATOM 259 CG GLN A 490 10.496 30.257 24.058 1.00 0.00 C ATOM 260 CD GLN A 490 9.870 31.548 24.603 1.00 0.00 C ATOM 261 OE1 GLN A 490 8.937 31.556 25.399 1.00 0.00 O ATOM 262 NE2 GLN A 490 10.355 32.702 24.192 1.00 0.00 N ATOM 0 H GLN A 490 8.758 26.608 24.655 1.00 0.00 H new ATOM 0 HA GLN A 490 10.566 27.963 22.724 1.00 0.00 H new ATOM 0 HB2 GLN A 490 8.654 29.133 24.014 1.00 0.00 H new ATOM 0 HB3 GLN A 490 9.613 28.871 25.457 1.00 0.00 H new ATOM 0 HG2 GLN A 490 11.497 30.143 24.475 1.00 0.00 H new ATOM 0 HG3 GLN A 490 10.609 30.345 22.977 1.00 0.00 H new ATOM 0 HE21 GLN A 490 11.131 32.722 23.530 1.00 0.00 H new ATOM 0 HE22 GLN A 490 9.955 33.575 24.536 1.00 0.00 H new ATOM 271 N ALA A 491 12.711 27.471 23.845 1.00 0.00 N ATOM 272 CA ALA A 491 13.994 26.894 24.267 1.00 0.00 C ATOM 273 C ALA A 491 15.112 27.952 24.277 1.00 0.00 C ATOM 274 O ALA A 491 15.464 28.441 25.352 1.00 0.00 O ATOM 275 CB ALA A 491 14.270 25.659 23.393 1.00 0.00 C ATOM 0 H ALA A 491 12.790 28.067 23.021 1.00 0.00 H new ATOM 0 HA ALA A 491 13.955 26.556 25.303 1.00 0.00 H new ATOM 0 HB1 ALA A 491 15.219 25.210 23.686 1.00 0.00 H new ATOM 0 HB2 ALA A 491 13.469 24.932 23.526 1.00 0.00 H new ATOM 0 HB3 ALA A 491 14.318 25.958 22.346 1.00 0.00 H new ATOM 330 N SER A 495 22.394 24.574 22.664 1.00 0.00 N ATOM 331 CA SER A 495 21.945 23.515 21.733 1.00 0.00 C ATOM 332 C SER A 495 20.418 23.289 21.627 1.00 0.00 C ATOM 333 O SER A 495 19.977 22.290 21.058 1.00 0.00 O ATOM 334 CB SER A 495 22.738 22.212 21.955 1.00 0.00 C ATOM 335 OG SER A 495 22.347 21.538 23.140 1.00 0.00 O ATOM 0 HA SER A 495 22.183 23.903 20.742 1.00 0.00 H new ATOM 0 HB2 SER A 495 22.594 21.552 21.100 1.00 0.00 H new ATOM 0 HB3 SER A 495 23.802 22.441 22.005 1.00 0.00 H new ATOM 0 HG SER A 495 22.874 20.718 23.239 1.00 0.00 H new ATOM 341 N GLU A 496 19.587 24.217 22.113 1.00 0.00 N ATOM 342 CA GLU A 496 18.119 24.107 22.120 1.00 0.00 C ATOM 343 C GLU A 496 17.487 25.233 21.285 1.00 0.00 C ATOM 344 O GLU A 496 17.930 26.384 21.331 1.00 0.00 O ATOM 345 CB GLU A 496 17.579 24.175 23.561 1.00 0.00 C ATOM 346 CG GLU A 496 18.045 23.045 24.487 1.00 0.00 C ATOM 347 CD GLU A 496 17.689 23.337 25.961 1.00 0.00 C ATOM 348 OE1 GLU A 496 16.499 23.592 26.271 1.00 0.00 O ATOM 349 OE2 GLU A 496 18.596 23.301 26.829 1.00 0.00 O ATOM 0 H GLU A 496 19.922 25.089 22.523 1.00 0.00 H new ATOM 0 HA GLU A 496 17.853 23.145 21.682 1.00 0.00 H new ATOM 0 HB2 GLU A 496 17.876 25.128 23.999 1.00 0.00 H new ATOM 0 HB3 GLU A 496 16.490 24.167 23.524 1.00 0.00 H new ATOM 0 HG2 GLU A 496 17.583 22.107 24.179 1.00 0.00 H new ATOM 0 HG3 GLU A 496 19.123 22.916 24.391 1.00 0.00 H new ATOM 356 N LEU A 497 16.409 24.923 20.556 1.00 0.00 N ATOM 357 CA LEU A 497 15.755 25.845 19.619 1.00 0.00 C ATOM 358 C LEU A 497 14.224 25.828 19.796 1.00 0.00 C ATOM 359 O LEU A 497 13.617 24.762 19.908 1.00 0.00 O ATOM 360 CB LEU A 497 16.167 25.438 18.192 1.00 0.00 C ATOM 361 CG LEU A 497 15.723 26.460 17.125 1.00 0.00 C ATOM 362 CD1 LEU A 497 16.895 27.322 16.655 1.00 0.00 C ATOM 363 CD2 LEU A 497 15.087 25.749 15.938 1.00 0.00 C ATOM 0 H LEU A 497 15.959 24.009 20.601 1.00 0.00 H new ATOM 0 HA LEU A 497 16.073 26.869 19.816 1.00 0.00 H new ATOM 0 HB2 LEU A 497 17.250 25.324 18.150 1.00 0.00 H new ATOM 0 HB3 LEU A 497 15.735 24.465 17.958 1.00 0.00 H new ATOM 0 HG LEU A 497 14.984 27.117 17.584 1.00 0.00 H new ATOM 0 HD11 LEU A 497 16.547 28.031 15.904 1.00 0.00 H new ATOM 0 HD12 LEU A 497 17.309 27.867 17.503 1.00 0.00 H new ATOM 0 HD13 LEU A 497 17.665 26.684 16.222 1.00 0.00 H new ATOM 0 HD21 LEU A 497 14.780 26.485 15.195 1.00 0.00 H new ATOM 0 HD22 LEU A 497 15.810 25.065 15.494 1.00 0.00 H new ATOM 0 HD23 LEU A 497 14.215 25.187 16.275 1.00 0.00 H new ATOM 375 N SER A 498 13.604 27.016 19.830 1.00 0.00 N ATOM 376 CA SER A 498 12.138 27.149 19.904 1.00 0.00 C ATOM 377 C SER A 498 11.417 26.589 18.665 1.00 0.00 C ATOM 378 O SER A 498 11.947 26.615 17.549 1.00 0.00 O ATOM 379 CB SER A 498 11.714 28.609 20.138 1.00 0.00 C ATOM 380 OG SER A 498 11.970 29.453 19.024 1.00 0.00 O ATOM 0 H SER A 498 14.099 27.908 19.807 1.00 0.00 H new ATOM 0 HA SER A 498 11.833 26.547 20.760 1.00 0.00 H new ATOM 0 HB2 SER A 498 10.649 28.638 20.370 1.00 0.00 H new ATOM 0 HB3 SER A 498 12.241 28.998 21.009 1.00 0.00 H new ATOM 0 HG SER A 498 11.679 30.365 19.231 1.00 0.00 H new ATOM 386 N VAL A 499 10.178 26.127 18.868 1.00 0.00 N ATOM 387 CA VAL A 499 9.270 25.605 17.830 1.00 0.00 C ATOM 388 C VAL A 499 7.810 25.991 18.116 1.00 0.00 C ATOM 389 O VAL A 499 7.448 26.334 19.246 1.00 0.00 O ATOM 390 CB VAL A 499 9.385 24.070 17.675 1.00 0.00 C ATOM 391 CG1 VAL A 499 10.800 23.610 17.298 1.00 0.00 C ATOM 392 CG2 VAL A 499 8.966 23.291 18.928 1.00 0.00 C ATOM 0 H VAL A 499 9.759 26.104 19.798 1.00 0.00 H new ATOM 0 HA VAL A 499 9.579 26.065 16.891 1.00 0.00 H new ATOM 0 HB VAL A 499 8.691 23.847 16.864 1.00 0.00 H new ATOM 0 HG11 VAL A 499 10.817 22.524 17.204 1.00 0.00 H new ATOM 0 HG12 VAL A 499 11.088 24.061 16.348 1.00 0.00 H new ATOM 0 HG13 VAL A 499 11.501 23.918 18.074 1.00 0.00 H new ATOM 0 HG21 VAL A 499 9.073 22.222 18.745 1.00 0.00 H new ATOM 0 HG22 VAL A 499 9.600 23.581 19.766 1.00 0.00 H new ATOM 0 HG23 VAL A 499 7.926 23.516 19.166 1.00 0.00 H new ATOM 402 N LYS A 500 6.950 25.898 17.094 1.00 0.00 N ATOM 403 CA LYS A 500 5.521 26.266 17.139 1.00 0.00 C ATOM 404 C LYS A 500 4.653 25.152 16.551 1.00 0.00 C ATOM 405 O LYS A 500 5.112 24.389 15.706 1.00 0.00 O ATOM 406 CB LYS A 500 5.283 27.553 16.320 1.00 0.00 C ATOM 407 CG LYS A 500 6.088 28.808 16.706 1.00 0.00 C ATOM 408 CD LYS A 500 5.446 29.663 17.807 1.00 0.00 C ATOM 409 CE LYS A 500 5.706 29.124 19.218 1.00 0.00 C ATOM 410 NZ LYS A 500 4.840 29.807 20.216 1.00 0.00 N ATOM 0 H LYS A 500 7.236 25.552 16.178 1.00 0.00 H new ATOM 0 HA LYS A 500 5.249 26.425 18.182 1.00 0.00 H new ATOM 0 HB2 LYS A 500 5.493 27.328 15.274 1.00 0.00 H new ATOM 0 HB3 LYS A 500 4.224 27.801 16.386 1.00 0.00 H new ATOM 0 HG2 LYS A 500 7.081 28.500 17.035 1.00 0.00 H new ATOM 0 HG3 LYS A 500 6.224 29.425 15.817 1.00 0.00 H new ATOM 0 HD2 LYS A 500 5.829 30.681 17.738 1.00 0.00 H new ATOM 0 HD3 LYS A 500 4.371 29.715 17.637 1.00 0.00 H new ATOM 0 HE2 LYS A 500 5.518 28.051 19.242 1.00 0.00 H new ATOM 0 HE3 LYS A 500 6.754 29.270 19.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 500 5.034 29.425 21.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 500 5.038 30.828 20.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 500 3.841 29.646 19.976 1.00 0.00 H new ATOM 424 N GLN A 501 3.371 25.123 16.909 1.00 0.00 N ATOM 425 CA GLN A 501 2.363 24.160 16.421 1.00 0.00 C ATOM 426 C GLN A 501 2.126 24.207 14.890 1.00 0.00 C ATOM 427 O GLN A 501 1.492 23.318 14.319 1.00 0.00 O ATOM 428 CB GLN A 501 1.064 24.405 17.213 1.00 0.00 C ATOM 429 CG GLN A 501 -0.027 23.343 16.998 1.00 0.00 C ATOM 430 CD GLN A 501 -1.227 23.570 17.914 1.00 0.00 C ATOM 431 OE1 GLN A 501 -2.000 24.507 17.749 1.00 0.00 O ATOM 432 NE2 GLN A 501 -1.444 22.727 18.903 1.00 0.00 N ATOM 0 H GLN A 501 2.982 25.793 17.573 1.00 0.00 H new ATOM 0 HA GLN A 501 2.739 23.151 16.593 1.00 0.00 H new ATOM 0 HB2 GLN A 501 1.305 24.450 18.275 1.00 0.00 H new ATOM 0 HB3 GLN A 501 0.663 25.380 16.936 1.00 0.00 H new ATOM 0 HG2 GLN A 501 -0.354 23.363 15.958 1.00 0.00 H new ATOM 0 HG3 GLN A 501 0.389 22.352 17.182 1.00 0.00 H new ATOM 0 HE21 GLN A 501 -0.810 21.942 19.053 1.00 0.00 H new ATOM 0 HE22 GLN A 501 -2.246 22.859 19.519 1.00 0.00 H new ATOM 441 N ARG A 502 2.646 25.236 14.207 1.00 0.00 N ATOM 442 CA ARG A 502 2.522 25.455 12.754 1.00 0.00 C ATOM 443 C ARG A 502 3.891 25.594 12.069 1.00 0.00 C ATOM 444 O ARG A 502 3.995 26.186 10.994 1.00 0.00 O ATOM 445 CB ARG A 502 1.580 26.653 12.514 1.00 0.00 C ATOM 446 CG ARG A 502 0.135 26.358 12.968 1.00 0.00 C ATOM 447 CD ARG A 502 -0.745 27.611 12.997 1.00 0.00 C ATOM 448 NE ARG A 502 -0.963 28.188 11.656 1.00 0.00 N ATOM 449 CZ ARG A 502 -1.486 29.374 11.394 1.00 0.00 C ATOM 450 NH1 ARG A 502 -1.868 30.190 12.338 1.00 0.00 N ATOM 451 NH2 ARG A 502 -1.640 29.769 10.162 1.00 0.00 N ATOM 0 H ARG A 502 3.186 25.969 14.667 1.00 0.00 H new ATOM 0 HA ARG A 502 2.077 24.577 12.285 1.00 0.00 H new ATOM 0 HB2 ARG A 502 1.957 27.523 13.051 1.00 0.00 H new ATOM 0 HB3 ARG A 502 1.581 26.907 11.454 1.00 0.00 H new ATOM 0 HG2 ARG A 502 -0.309 25.623 12.297 1.00 0.00 H new ATOM 0 HG3 ARG A 502 0.155 25.911 13.962 1.00 0.00 H new ATOM 0 HD2 ARG A 502 -1.709 27.362 13.442 1.00 0.00 H new ATOM 0 HD3 ARG A 502 -0.282 28.360 13.639 1.00 0.00 H new ATOM 0 HE ARG A 502 -0.684 27.619 10.857 1.00 0.00 H new ATOM 0 HH11 ARG A 502 -1.767 29.921 13.317 1.00 0.00 H new ATOM 0 HH12 ARG A 502 -2.267 31.097 12.097 1.00 0.00 H new ATOM 0 HH21 ARG A 502 -1.357 29.162 9.393 1.00 0.00 H new ATOM 0 HH22 ARG A 502 -2.044 30.685 9.967 1.00 0.00 H new ATOM 465 N ASP A 503 4.946 25.043 12.682 1.00 0.00 N ATOM 466 CA ASP A 503 6.322 25.085 12.170 1.00 0.00 C ATOM 467 C ASP A 503 6.792 23.674 11.770 1.00 0.00 C ATOM 468 O ASP A 503 6.995 22.801 12.619 1.00 0.00 O ATOM 469 CB ASP A 503 7.233 25.747 13.218 1.00 0.00 C ATOM 470 CG ASP A 503 8.628 26.131 12.692 1.00 0.00 C ATOM 471 OD1 ASP A 503 8.873 26.077 11.463 1.00 0.00 O ATOM 472 OD2 ASP A 503 9.467 26.552 13.522 1.00 0.00 O ATOM 0 H ASP A 503 4.865 24.544 13.568 1.00 0.00 H new ATOM 0 HA ASP A 503 6.368 25.690 11.264 1.00 0.00 H new ATOM 0 HB2 ASP A 503 6.741 26.643 13.596 1.00 0.00 H new ATOM 0 HB3 ASP A 503 7.350 25.067 14.062 1.00 0.00 H new ATOM 477 N VAL A 504 6.901 23.431 10.457 1.00 0.00 N ATOM 478 CA VAL A 504 7.366 22.160 9.874 1.00 0.00 C ATOM 479 C VAL A 504 8.903 22.117 9.815 1.00 0.00 C ATOM 480 O VAL A 504 9.553 23.096 9.435 1.00 0.00 O ATOM 481 CB VAL A 504 6.700 21.931 8.500 1.00 0.00 C ATOM 482 CG1 VAL A 504 7.120 22.928 7.410 1.00 0.00 C ATOM 483 CG2 VAL A 504 6.932 20.510 7.986 1.00 0.00 C ATOM 0 H VAL A 504 6.663 24.128 9.752 1.00 0.00 H new ATOM 0 HA VAL A 504 7.062 21.333 10.516 1.00 0.00 H new ATOM 0 HB VAL A 504 5.640 22.094 8.693 1.00 0.00 H new ATOM 0 HG11 VAL A 504 6.603 22.690 6.480 1.00 0.00 H new ATOM 0 HG12 VAL A 504 6.859 23.939 7.722 1.00 0.00 H new ATOM 0 HG13 VAL A 504 8.197 22.863 7.253 1.00 0.00 H new ATOM 0 HG21 VAL A 504 6.447 20.390 7.017 1.00 0.00 H new ATOM 0 HG22 VAL A 504 8.002 20.331 7.881 1.00 0.00 H new ATOM 0 HG23 VAL A 504 6.512 19.794 8.693 1.00 0.00 H new ATOM 493 N LEU A 505 9.494 20.987 10.220 1.00 0.00 N ATOM 494 CA LEU A 505 10.933 20.847 10.512 1.00 0.00 C ATOM 495 C LEU A 505 11.463 19.512 9.962 1.00 0.00 C ATOM 496 O LEU A 505 10.711 18.540 9.912 1.00 0.00 O ATOM 497 CB LEU A 505 11.129 20.896 12.043 1.00 0.00 C ATOM 498 CG LEU A 505 10.581 22.152 12.751 1.00 0.00 C ATOM 499 CD1 LEU A 505 10.480 21.926 14.257 1.00 0.00 C ATOM 500 CD2 LEU A 505 11.463 23.373 12.505 1.00 0.00 C ATOM 0 H LEU A 505 8.975 20.120 10.359 1.00 0.00 H new ATOM 0 HA LEU A 505 11.484 21.658 10.035 1.00 0.00 H new ATOM 0 HB2 LEU A 505 10.652 20.019 12.480 1.00 0.00 H new ATOM 0 HB3 LEU A 505 12.195 20.818 12.256 1.00 0.00 H new ATOM 0 HG LEU A 505 9.592 22.337 12.333 1.00 0.00 H new ATOM 0 HD11 LEU A 505 10.091 22.825 14.735 1.00 0.00 H new ATOM 0 HD12 LEU A 505 9.809 21.091 14.455 1.00 0.00 H new ATOM 0 HD13 LEU A 505 11.468 21.700 14.658 1.00 0.00 H new ATOM 0 HD21 LEU A 505 11.042 24.236 13.021 1.00 0.00 H new ATOM 0 HD22 LEU A 505 12.467 23.179 12.883 1.00 0.00 H new ATOM 0 HD23 LEU A 505 11.511 23.578 11.435 1.00 0.00 H new ATOM 512 N GLU A 506 12.741 19.423 9.582 1.00 0.00 N ATOM 513 CA GLU A 506 13.310 18.204 8.976 1.00 0.00 C ATOM 514 C GLU A 506 14.233 17.470 9.950 1.00 0.00 C ATOM 515 O GLU A 506 15.174 18.055 10.489 1.00 0.00 O ATOM 516 CB GLU A 506 14.010 18.538 7.647 1.00 0.00 C ATOM 517 CG GLU A 506 14.848 17.433 6.973 1.00 0.00 C ATOM 518 CD GLU A 506 14.176 16.065 6.704 1.00 0.00 C ATOM 519 OE1 GLU A 506 13.081 15.762 7.228 1.00 0.00 O ATOM 520 OE2 GLU A 506 14.779 15.259 5.955 1.00 0.00 O ATOM 0 H GLU A 506 13.411 20.186 9.683 1.00 0.00 H new ATOM 0 HA GLU A 506 12.492 17.519 8.752 1.00 0.00 H new ATOM 0 HB2 GLU A 506 13.246 18.857 6.938 1.00 0.00 H new ATOM 0 HB3 GLU A 506 14.663 19.394 7.819 1.00 0.00 H new ATOM 0 HG2 GLU A 506 15.205 17.821 6.019 1.00 0.00 H new ATOM 0 HG3 GLU A 506 15.726 17.256 7.594 1.00 0.00 H new ATOM 527 N VAL A 507 13.936 16.189 10.186 1.00 0.00 N ATOM 528 CA VAL A 507 14.660 15.306 11.111 1.00 0.00 C ATOM 529 C VAL A 507 16.051 14.964 10.575 1.00 0.00 C ATOM 530 O VAL A 507 16.210 14.568 9.416 1.00 0.00 O ATOM 531 CB VAL A 507 13.859 14.016 11.385 1.00 0.00 C ATOM 532 CG1 VAL A 507 14.560 13.106 12.406 1.00 0.00 C ATOM 533 CG2 VAL A 507 12.471 14.341 11.948 1.00 0.00 C ATOM 0 H VAL A 507 13.158 15.720 9.723 1.00 0.00 H new ATOM 0 HA VAL A 507 14.780 15.844 12.051 1.00 0.00 H new ATOM 0 HB VAL A 507 13.781 13.504 10.426 1.00 0.00 H new ATOM 0 HG11 VAL A 507 13.960 12.210 12.567 1.00 0.00 H new ATOM 0 HG12 VAL A 507 15.541 12.822 12.026 1.00 0.00 H new ATOM 0 HG13 VAL A 507 14.677 13.640 13.349 1.00 0.00 H new ATOM 0 HG21 VAL A 507 11.927 13.415 12.132 1.00 0.00 H new ATOM 0 HG22 VAL A 507 12.577 14.892 12.883 1.00 0.00 H new ATOM 0 HG23 VAL A 507 11.920 14.948 11.230 1.00 0.00 H new ATOM 543 N LEU A 508 17.053 15.080 11.450 1.00 0.00 N ATOM 544 CA LEU A 508 18.470 14.838 11.155 1.00 0.00 C ATOM 545 C LEU A 508 19.026 13.658 11.970 1.00 0.00 C ATOM 546 O LEU A 508 19.874 12.908 11.484 1.00 0.00 O ATOM 547 CB LEU A 508 19.286 16.103 11.485 1.00 0.00 C ATOM 548 CG LEU A 508 18.705 17.450 11.021 1.00 0.00 C ATOM 549 CD1 LEU A 508 19.608 18.563 11.542 1.00 0.00 C ATOM 550 CD2 LEU A 508 18.578 17.563 9.502 1.00 0.00 C ATOM 0 H LEU A 508 16.895 15.355 12.419 1.00 0.00 H new ATOM 0 HA LEU A 508 18.554 14.593 10.096 1.00 0.00 H new ATOM 0 HB2 LEU A 508 19.421 16.147 12.566 1.00 0.00 H new ATOM 0 HB3 LEU A 508 20.277 15.992 11.044 1.00 0.00 H new ATOM 0 HG LEU A 508 17.694 17.532 11.421 1.00 0.00 H new ATOM 0 HD11 LEU A 508 19.215 19.529 11.225 1.00 0.00 H new ATOM 0 HD12 LEU A 508 19.641 18.525 12.631 1.00 0.00 H new ATOM 0 HD13 LEU A 508 20.614 18.432 11.143 1.00 0.00 H new ATOM 0 HD21 LEU A 508 18.162 18.537 9.243 1.00 0.00 H new ATOM 0 HD22 LEU A 508 19.562 17.456 9.046 1.00 0.00 H new ATOM 0 HD23 LEU A 508 17.919 16.777 9.133 1.00 0.00 H new ATOM 562 N ASP A 509 18.545 13.494 13.208 1.00 0.00 N ATOM 563 CA ASP A 509 18.907 12.410 14.128 1.00 0.00 C ATOM 564 C ASP A 509 17.746 12.136 15.106 1.00 0.00 C ATOM 565 O ASP A 509 17.111 13.064 15.617 1.00 0.00 O ATOM 566 CB ASP A 509 20.193 12.805 14.881 1.00 0.00 C ATOM 567 CG ASP A 509 20.888 11.659 15.643 1.00 0.00 C ATOM 568 OD1 ASP A 509 20.332 10.543 15.764 1.00 0.00 O ATOM 569 OD2 ASP A 509 22.026 11.885 16.121 1.00 0.00 O ATOM 0 H ASP A 509 17.866 14.139 13.612 1.00 0.00 H new ATOM 0 HA ASP A 509 19.093 11.491 13.571 1.00 0.00 H new ATOM 0 HB2 ASP A 509 20.900 13.224 14.165 1.00 0.00 H new ATOM 0 HB3 ASP A 509 19.951 13.596 15.590 1.00 0.00 H new ATOM 574 N ASP A 510 17.487 10.856 15.369 1.00 0.00 N ATOM 575 CA ASP A 510 16.393 10.327 16.195 1.00 0.00 C ATOM 576 C ASP A 510 16.869 9.228 17.183 1.00 0.00 C ATOM 577 O ASP A 510 16.056 8.513 17.777 1.00 0.00 O ATOM 578 CB ASP A 510 15.254 9.854 15.271 1.00 0.00 C ATOM 579 CG ASP A 510 15.697 8.825 14.215 1.00 0.00 C ATOM 580 OD1 ASP A 510 16.184 7.727 14.581 1.00 0.00 O ATOM 581 OD2 ASP A 510 15.543 9.097 12.999 1.00 0.00 O ATOM 0 H ASP A 510 18.070 10.110 14.989 1.00 0.00 H new ATOM 0 HA ASP A 510 16.013 11.124 16.834 1.00 0.00 H new ATOM 0 HB2 ASP A 510 14.462 9.418 15.880 1.00 0.00 H new ATOM 0 HB3 ASP A 510 14.827 10.719 14.765 1.00 0.00 H new ATOM 586 N SER A 511 18.191 9.099 17.378 1.00 0.00 N ATOM 587 CA SER A 511 18.844 8.101 18.248 1.00 0.00 C ATOM 588 C SER A 511 18.399 8.138 19.724 1.00 0.00 C ATOM 589 O SER A 511 18.391 7.099 20.395 1.00 0.00 O ATOM 590 CB SER A 511 20.364 8.299 18.151 1.00 0.00 C ATOM 591 OG SER A 511 21.081 7.305 18.865 1.00 0.00 O ATOM 0 H SER A 511 18.864 9.711 16.916 1.00 0.00 H new ATOM 0 HA SER A 511 18.538 7.119 17.887 1.00 0.00 H new ATOM 0 HB2 SER A 511 20.665 8.280 17.104 1.00 0.00 H new ATOM 0 HB3 SER A 511 20.626 9.283 18.540 1.00 0.00 H new ATOM 0 HG SER A 511 22.043 7.468 18.775 1.00 0.00 H new ATOM 597 N ARG A 512 17.991 9.312 20.234 1.00 0.00 N ATOM 598 CA ARG A 512 17.573 9.554 21.632 1.00 0.00 C ATOM 599 C ARG A 512 16.263 10.352 21.705 1.00 0.00 C ATOM 600 O ARG A 512 15.778 10.825 20.679 1.00 0.00 O ATOM 601 CB ARG A 512 18.699 10.290 22.389 1.00 0.00 C ATOM 602 CG ARG A 512 20.079 9.614 22.287 1.00 0.00 C ATOM 603 CD ARG A 512 21.065 10.179 23.317 1.00 0.00 C ATOM 604 NE ARG A 512 20.784 9.661 24.673 1.00 0.00 N ATOM 605 CZ ARG A 512 21.225 10.145 25.821 1.00 0.00 C ATOM 606 NH1 ARG A 512 21.969 11.214 25.893 1.00 0.00 N ATOM 607 NH2 ARG A 512 20.922 9.549 26.941 1.00 0.00 N ATOM 0 H ARG A 512 17.940 10.156 19.663 1.00 0.00 H new ATOM 0 HA ARG A 512 17.389 8.589 22.104 1.00 0.00 H new ATOM 0 HB2 ARG A 512 18.776 11.306 22.003 1.00 0.00 H new ATOM 0 HB3 ARG A 512 18.423 10.368 23.440 1.00 0.00 H new ATOM 0 HG2 ARG A 512 19.970 8.540 22.438 1.00 0.00 H new ATOM 0 HG3 ARG A 512 20.480 9.755 21.283 1.00 0.00 H new ATOM 0 HD2 ARG A 512 22.083 9.917 23.030 1.00 0.00 H new ATOM 0 HD3 ARG A 512 21.005 11.267 23.322 1.00 0.00 H new ATOM 0 HE ARG A 512 20.183 8.839 24.729 1.00 0.00 H new ATOM 0 HH11 ARG A 512 22.232 11.711 25.042 1.00 0.00 H new ATOM 0 HH12 ARG A 512 22.288 11.553 26.801 1.00 0.00 H new ATOM 0 HH21 ARG A 512 20.344 8.709 26.931 1.00 0.00 H new ATOM 0 HH22 ARG A 512 21.263 9.923 27.826 1.00 0.00 H new ATOM 621 N LYS A 513 15.706 10.542 22.913 1.00 0.00 N ATOM 622 CA LYS A 513 14.473 11.326 23.169 1.00 0.00 C ATOM 623 C LYS A 513 14.512 12.729 22.550 1.00 0.00 C ATOM 624 O LYS A 513 13.523 13.187 21.979 1.00 0.00 O ATOM 625 CB LYS A 513 14.228 11.402 24.691 1.00 0.00 C ATOM 626 CG LYS A 513 13.015 12.272 25.079 1.00 0.00 C ATOM 627 CD LYS A 513 12.729 12.289 26.585 1.00 0.00 C ATOM 628 CE LYS A 513 13.837 12.998 27.375 1.00 0.00 C ATOM 629 NZ LYS A 513 13.509 13.069 28.824 1.00 0.00 N ATOM 0 H LYS A 513 16.106 10.147 23.764 1.00 0.00 H new ATOM 0 HA LYS A 513 13.645 10.810 22.683 1.00 0.00 H new ATOM 0 HB2 LYS A 513 14.080 10.394 25.077 1.00 0.00 H new ATOM 0 HB3 LYS A 513 15.120 11.801 25.175 1.00 0.00 H new ATOM 0 HG2 LYS A 513 13.187 13.293 24.739 1.00 0.00 H new ATOM 0 HG3 LYS A 513 12.133 11.906 24.554 1.00 0.00 H new ATOM 0 HD2 LYS A 513 11.778 12.789 26.767 1.00 0.00 H new ATOM 0 HD3 LYS A 513 12.625 11.266 26.945 1.00 0.00 H new ATOM 0 HE2 LYS A 513 14.779 12.467 27.239 1.00 0.00 H new ATOM 0 HE3 LYS A 513 13.979 14.005 26.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 513 14.277 13.554 29.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 513 12.622 13.596 28.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 513 13.398 12.107 29.202 1.00 0.00 H new ATOM 643 N TRP A 514 15.652 13.402 22.668 1.00 0.00 N ATOM 644 CA TRP A 514 15.905 14.706 22.060 1.00 0.00 C ATOM 645 C TRP A 514 16.268 14.532 20.577 1.00 0.00 C ATOM 646 O TRP A 514 17.428 14.283 20.232 1.00 0.00 O ATOM 647 CB TRP A 514 16.989 15.437 22.861 1.00 0.00 C ATOM 648 CG TRP A 514 16.592 15.790 24.265 1.00 0.00 C ATOM 649 CD1 TRP A 514 16.732 14.995 25.351 1.00 0.00 C ATOM 650 CD2 TRP A 514 15.977 17.024 24.757 1.00 0.00 C ATOM 651 NE1 TRP A 514 16.236 15.639 26.470 1.00 0.00 N ATOM 652 CE2 TRP A 514 15.744 16.888 26.159 1.00 0.00 C ATOM 653 CE3 TRP A 514 15.601 18.249 24.163 1.00 0.00 C ATOM 654 CZ2 TRP A 514 15.146 17.901 26.925 1.00 0.00 C ATOM 655 CZ3 TRP A 514 15.014 19.280 24.924 1.00 0.00 C ATOM 656 CH2 TRP A 514 14.777 19.104 26.300 1.00 0.00 C ATOM 0 H TRP A 514 16.446 13.048 23.202 1.00 0.00 H new ATOM 0 HA TRP A 514 15.007 15.323 22.091 1.00 0.00 H new ATOM 0 HB2 TRP A 514 17.882 14.812 22.895 1.00 0.00 H new ATOM 0 HB3 TRP A 514 17.260 16.351 22.332 1.00 0.00 H new ATOM 0 HD1 TRP A 514 17.166 14.006 25.345 1.00 0.00 H new ATOM 0 HE1 TRP A 514 16.235 15.239 27.408 1.00 0.00 H new ATOM 0 HE3 TRP A 514 15.766 18.398 23.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 514 14.972 17.757 27.981 1.00 0.00 H new ATOM 0 HZ3 TRP A 514 14.744 20.211 24.448 1.00 0.00 H new ATOM 0 HH2 TRP A 514 14.312 19.892 26.874 1.00 0.00 H new ATOM 667 N TRP A 515 15.269 14.617 19.696 1.00 0.00 N ATOM 668 CA TRP A 515 15.468 14.605 18.243 1.00 0.00 C ATOM 669 C TRP A 515 16.162 15.896 17.791 1.00 0.00 C ATOM 670 O TRP A 515 15.879 16.981 18.315 1.00 0.00 O ATOM 671 CB TRP A 515 14.126 14.412 17.513 1.00 0.00 C ATOM 672 CG TRP A 515 13.559 13.018 17.518 1.00 0.00 C ATOM 673 CD1 TRP A 515 13.841 12.057 18.424 1.00 0.00 C ATOM 674 CD2 TRP A 515 12.632 12.390 16.571 1.00 0.00 C ATOM 675 NE1 TRP A 515 13.190 10.885 18.108 1.00 0.00 N ATOM 676 CE2 TRP A 515 12.415 11.035 16.978 1.00 0.00 C ATOM 677 CE3 TRP A 515 11.952 12.821 15.410 1.00 0.00 C ATOM 678 CZ2 TRP A 515 11.580 10.157 16.272 1.00 0.00 C ATOM 679 CZ3 TRP A 515 11.111 11.945 14.692 1.00 0.00 C ATOM 680 CH2 TRP A 515 10.925 10.618 15.118 1.00 0.00 C ATOM 0 H TRP A 515 14.290 14.697 19.972 1.00 0.00 H new ATOM 0 HA TRP A 515 16.112 13.764 17.985 1.00 0.00 H new ATOM 0 HB2 TRP A 515 13.393 15.081 17.963 1.00 0.00 H new ATOM 0 HB3 TRP A 515 14.252 14.727 16.477 1.00 0.00 H new ATOM 0 HD1 TRP A 515 14.488 12.189 19.279 1.00 0.00 H new ATOM 0 HE1 TRP A 515 13.271 10.019 18.641 1.00 0.00 H new ATOM 0 HE3 TRP A 515 12.078 13.837 15.067 1.00 0.00 H new ATOM 0 HZ2 TRP A 515 11.442 9.141 16.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 515 10.605 12.297 13.806 1.00 0.00 H new ATOM 0 HH2 TRP A 515 10.281 9.955 14.560 1.00 0.00 H new ATOM 691 N LYS A 516 17.053 15.784 16.799 1.00 0.00 N ATOM 692 CA LYS A 516 17.723 16.928 16.167 1.00 0.00 C ATOM 693 C LYS A 516 17.018 17.258 14.856 1.00 0.00 C ATOM 694 O LYS A 516 16.839 16.376 14.012 1.00 0.00 O ATOM 695 CB LYS A 516 19.219 16.627 15.956 1.00 0.00 C ATOM 696 CG LYS A 516 20.014 17.936 15.804 1.00 0.00 C ATOM 697 CD LYS A 516 21.545 17.773 15.769 1.00 0.00 C ATOM 698 CE LYS A 516 22.141 17.313 14.428 1.00 0.00 C ATOM 699 NZ LYS A 516 22.197 15.832 14.280 1.00 0.00 N ATOM 0 H LYS A 516 17.333 14.885 16.407 1.00 0.00 H new ATOM 0 HA LYS A 516 17.663 17.800 16.819 1.00 0.00 H new ATOM 0 HB2 LYS A 516 19.604 16.056 16.801 1.00 0.00 H new ATOM 0 HB3 LYS A 516 19.350 16.009 15.068 1.00 0.00 H new ATOM 0 HG2 LYS A 516 19.696 18.431 14.886 1.00 0.00 H new ATOM 0 HG3 LYS A 516 19.754 18.598 16.630 1.00 0.00 H new ATOM 0 HD2 LYS A 516 21.999 18.727 16.038 1.00 0.00 H new ATOM 0 HD3 LYS A 516 21.832 17.055 16.537 1.00 0.00 H new ATOM 0 HE2 LYS A 516 21.548 17.729 13.614 1.00 0.00 H new ATOM 0 HE3 LYS A 516 23.148 17.719 14.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 22.758 15.588 13.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 22.640 15.415 15.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 21.233 15.457 14.174 1.00 0.00 H new ATOM 713 N VAL A 517 16.638 18.522 14.681 1.00 0.00 N ATOM 714 CA VAL A 517 15.903 19.004 13.500 1.00 0.00 C ATOM 715 C VAL A 517 16.508 20.301 12.952 1.00 0.00 C ATOM 716 O VAL A 517 17.102 21.086 13.700 1.00 0.00 O ATOM 717 CB VAL A 517 14.391 19.163 13.780 1.00 0.00 C ATOM 718 CG1 VAL A 517 13.730 17.857 14.245 1.00 0.00 C ATOM 719 CG2 VAL A 517 14.065 20.239 14.824 1.00 0.00 C ATOM 0 H VAL A 517 16.832 19.256 15.362 1.00 0.00 H new ATOM 0 HA VAL A 517 16.006 18.239 12.730 1.00 0.00 H new ATOM 0 HB VAL A 517 13.987 19.466 12.814 1.00 0.00 H new ATOM 0 HG11 VAL A 517 12.669 18.030 14.426 1.00 0.00 H new ATOM 0 HG12 VAL A 517 13.847 17.095 13.474 1.00 0.00 H new ATOM 0 HG13 VAL A 517 14.204 17.517 15.166 1.00 0.00 H new ATOM 0 HG21 VAL A 517 12.986 20.292 14.967 1.00 0.00 H new ATOM 0 HG22 VAL A 517 14.544 19.985 15.770 1.00 0.00 H new ATOM 0 HG23 VAL A 517 14.433 21.205 14.478 1.00 0.00 H new ATOM 729 N ARG A 518 16.335 20.534 11.645 1.00 0.00 N ATOM 730 CA ARG A 518 16.748 21.761 10.944 1.00 0.00 C ATOM 731 C ARG A 518 15.523 22.622 10.642 1.00 0.00 C ATOM 732 O ARG A 518 14.609 22.209 9.926 1.00 0.00 O ATOM 733 CB ARG A 518 17.536 21.403 9.674 1.00 0.00 C ATOM 734 CG ARG A 518 17.986 22.626 8.856 1.00 0.00 C ATOM 735 CD ARG A 518 19.273 22.340 8.064 1.00 0.00 C ATOM 736 NE ARG A 518 19.177 21.124 7.228 1.00 0.00 N ATOM 737 CZ ARG A 518 18.596 21.002 6.049 1.00 0.00 C ATOM 738 NH1 ARG A 518 18.016 22.005 5.448 1.00 0.00 N ATOM 739 NH2 ARG A 518 18.585 19.850 5.441 1.00 0.00 N ATOM 0 H ARG A 518 15.891 19.856 11.026 1.00 0.00 H new ATOM 0 HA ARG A 518 17.411 22.346 11.582 1.00 0.00 H new ATOM 0 HB2 ARG A 518 18.415 20.822 9.955 1.00 0.00 H new ATOM 0 HB3 ARG A 518 16.919 20.763 9.043 1.00 0.00 H new ATOM 0 HG2 ARG A 518 17.192 22.915 8.167 1.00 0.00 H new ATOM 0 HG3 ARG A 518 18.151 23.470 9.525 1.00 0.00 H new ATOM 0 HD2 ARG A 518 19.499 23.195 7.427 1.00 0.00 H new ATOM 0 HD3 ARG A 518 20.105 22.232 8.760 1.00 0.00 H new ATOM 0 HE ARG A 518 19.610 20.282 7.606 1.00 0.00 H new ATOM 0 HH11 ARG A 518 18.001 22.924 5.889 1.00 0.00 H new ATOM 0 HH12 ARG A 518 17.578 21.869 4.537 1.00 0.00 H new ATOM 0 HH21 ARG A 518 19.026 19.040 5.876 1.00 0.00 H new ATOM 0 HH22 ARG A 518 18.135 19.758 4.530 1.00 0.00 H new ATOM 753 N ASP A 519 15.508 23.807 11.234 1.00 0.00 N ATOM 754 CA ASP A 519 14.518 24.864 11.004 1.00 0.00 C ATOM 755 C ASP A 519 14.696 25.583 9.644 1.00 0.00 C ATOM 756 O ASP A 519 15.784 25.545 9.055 1.00 0.00 O ATOM 757 CB ASP A 519 14.609 25.863 12.167 1.00 0.00 C ATOM 758 CG ASP A 519 16.032 26.410 12.330 1.00 0.00 C ATOM 759 OD1 ASP A 519 16.409 27.343 11.589 1.00 0.00 O ATOM 760 OD2 ASP A 519 16.762 25.874 13.197 1.00 0.00 O ATOM 0 H ASP A 519 16.214 24.076 11.919 1.00 0.00 H new ATOM 0 HA ASP A 519 13.530 24.406 10.962 1.00 0.00 H new ATOM 0 HB2 ASP A 519 13.919 26.689 11.993 1.00 0.00 H new ATOM 0 HB3 ASP A 519 14.297 25.376 13.091 1.00 0.00 H new ATOM 765 N PRO A 520 13.651 26.271 9.138 1.00 0.00 N ATOM 766 CA PRO A 520 13.702 26.982 7.856 1.00 0.00 C ATOM 767 C PRO A 520 14.577 28.252 7.843 1.00 0.00 C ATOM 768 O PRO A 520 14.871 28.769 6.761 1.00 0.00 O ATOM 769 CB PRO A 520 12.242 27.302 7.516 1.00 0.00 C ATOM 770 CG PRO A 520 11.554 27.369 8.876 1.00 0.00 C ATOM 771 CD PRO A 520 12.291 26.295 9.668 1.00 0.00 C ATOM 0 HA PRO A 520 14.187 26.350 7.112 1.00 0.00 H new ATOM 0 HB2 PRO A 520 12.155 28.246 6.977 1.00 0.00 H new ATOM 0 HB3 PRO A 520 11.801 26.532 6.883 1.00 0.00 H new ATOM 0 HG2 PRO A 520 11.655 28.353 9.334 1.00 0.00 H new ATOM 0 HG3 PRO A 520 10.487 27.159 8.802 1.00 0.00 H new ATOM 0 HD2 PRO A 520 12.291 26.526 10.733 1.00 0.00 H new ATOM 0 HD3 PRO A 520 11.809 25.324 9.552 1.00 0.00 H new ATOM 779 N ALA A 521 15.022 28.758 9.002 1.00 0.00 N ATOM 780 CA ALA A 521 15.996 29.858 9.077 1.00 0.00 C ATOM 781 C ALA A 521 17.435 29.401 8.749 1.00 0.00 C ATOM 782 O ALA A 521 18.286 30.232 8.413 1.00 0.00 O ATOM 783 CB ALA A 521 15.935 30.517 10.464 1.00 0.00 C ATOM 0 H ALA A 521 14.717 28.417 9.914 1.00 0.00 H new ATOM 0 HA ALA A 521 15.723 30.589 8.316 1.00 0.00 H new ATOM 0 HB1 ALA A 521 16.659 31.331 10.512 1.00 0.00 H new ATOM 0 HB2 ALA A 521 14.934 30.912 10.636 1.00 0.00 H new ATOM 0 HB3 ALA A 521 16.169 29.777 11.229 1.00 0.00 H new ATOM 789 N GLY A 522 17.709 28.093 8.827 1.00 0.00 N ATOM 790 CA GLY A 522 18.992 27.475 8.483 1.00 0.00 C ATOM 791 C GLY A 522 19.855 27.099 9.693 1.00 0.00 C ATOM 792 O GLY A 522 21.039 26.794 9.519 1.00 0.00 O ATOM 0 H GLY A 522 17.017 27.413 9.143 1.00 0.00 H new ATOM 0 HA2 GLY A 522 18.803 26.578 7.893 1.00 0.00 H new ATOM 0 HA3 GLY A 522 19.554 28.161 7.849 1.00 0.00 H new ATOM 796 N GLN A 523 19.295 27.135 10.906 1.00 0.00 N ATOM 797 CA GLN A 523 19.973 26.728 12.144 1.00 0.00 C ATOM 798 C GLN A 523 19.660 25.250 12.487 1.00 0.00 C ATOM 799 O GLN A 523 19.051 24.523 11.694 1.00 0.00 O ATOM 800 CB GLN A 523 19.617 27.700 13.293 1.00 0.00 C ATOM 801 CG GLN A 523 19.672 29.191 12.905 1.00 0.00 C ATOM 802 CD GLN A 523 19.885 30.097 14.117 1.00 0.00 C ATOM 803 OE1 GLN A 523 20.937 30.103 14.749 1.00 0.00 O ATOM 804 NE2 GLN A 523 18.917 30.909 14.492 1.00 0.00 N ATOM 0 H GLN A 523 18.338 27.454 11.060 1.00 0.00 H new ATOM 0 HA GLN A 523 21.051 26.786 11.997 1.00 0.00 H new ATOM 0 HB2 GLN A 523 18.615 27.467 13.652 1.00 0.00 H new ATOM 0 HB3 GLN A 523 20.301 27.528 14.124 1.00 0.00 H new ATOM 0 HG2 GLN A 523 20.479 29.349 12.190 1.00 0.00 H new ATOM 0 HG3 GLN A 523 18.744 29.469 12.405 1.00 0.00 H new ATOM 0 HE21 GLN A 523 18.034 30.920 13.981 1.00 0.00 H new ATOM 0 HE22 GLN A 523 19.051 31.526 15.293 1.00 0.00 H new ATOM 813 N GLU A 524 20.102 24.781 13.657 1.00 0.00 N ATOM 814 CA GLU A 524 19.791 23.448 14.200 1.00 0.00 C ATOM 815 C GLU A 524 19.593 23.514 15.726 1.00 0.00 C ATOM 816 O GLU A 524 20.176 24.368 16.407 1.00 0.00 O ATOM 817 CB GLU A 524 20.932 22.457 13.894 1.00 0.00 C ATOM 818 CG GLU A 524 21.044 22.036 12.422 1.00 0.00 C ATOM 819 CD GLU A 524 22.277 21.140 12.176 1.00 0.00 C ATOM 820 OE1 GLU A 524 22.496 20.154 12.920 1.00 0.00 O ATOM 821 OE2 GLU A 524 23.049 21.421 11.225 1.00 0.00 O ATOM 0 H GLU A 524 20.703 25.330 14.272 1.00 0.00 H new ATOM 0 HA GLU A 524 18.871 23.106 13.726 1.00 0.00 H new ATOM 0 HB2 GLU A 524 21.876 22.906 14.201 1.00 0.00 H new ATOM 0 HB3 GLU A 524 20.791 21.564 14.503 1.00 0.00 H new ATOM 0 HG2 GLU A 524 20.141 21.501 12.127 1.00 0.00 H new ATOM 0 HG3 GLU A 524 21.108 22.924 11.793 1.00 0.00 H new ATOM 828 N GLY A 525 18.814 22.581 16.280 1.00 0.00 N ATOM 829 CA GLY A 525 18.639 22.424 17.726 1.00 0.00 C ATOM 830 C GLY A 525 17.938 21.122 18.124 1.00 0.00 C ATOM 831 O GLY A 525 17.374 20.411 17.286 1.00 0.00 O ATOM 0 H GLY A 525 18.281 21.906 15.731 1.00 0.00 H new ATOM 0 HA2 GLY A 525 19.616 22.462 18.207 1.00 0.00 H new ATOM 0 HA3 GLY A 525 18.063 23.267 18.107 1.00 0.00 H new ATOM 835 N TYR A 526 17.976 20.829 19.424 1.00 0.00 N ATOM 836 CA TYR A 526 17.353 19.656 20.040 1.00 0.00 C ATOM 837 C TYR A 526 16.007 19.998 20.702 1.00 0.00 C ATOM 838 O TYR A 526 15.878 21.022 21.379 1.00 0.00 O ATOM 839 CB TYR A 526 18.316 19.084 21.089 1.00 0.00 C ATOM 840 CG TYR A 526 19.527 18.371 20.515 1.00 0.00 C ATOM 841 CD1 TYR A 526 19.375 17.107 19.916 1.00 0.00 C ATOM 842 CD2 TYR A 526 20.808 18.951 20.607 1.00 0.00 C ATOM 843 CE1 TYR A 526 20.498 16.415 19.427 1.00 0.00 C ATOM 844 CE2 TYR A 526 21.934 18.271 20.102 1.00 0.00 C ATOM 845 CZ TYR A 526 21.782 16.995 19.515 1.00 0.00 C ATOM 846 OH TYR A 526 22.864 16.324 19.039 1.00 0.00 O ATOM 0 H TYR A 526 18.457 21.421 20.100 1.00 0.00 H new ATOM 0 HA TYR A 526 17.152 18.923 19.259 1.00 0.00 H new ATOM 0 HB2 TYR A 526 18.659 19.897 21.729 1.00 0.00 H new ATOM 0 HB3 TYR A 526 17.768 18.388 21.724 1.00 0.00 H new ATOM 0 HD1 TYR A 526 18.393 16.666 19.831 1.00 0.00 H new ATOM 0 HD2 TYR A 526 20.927 19.921 21.067 1.00 0.00 H new ATOM 0 HE1 TYR A 526 20.378 15.438 18.983 1.00 0.00 H new ATOM 0 HE2 TYR A 526 22.912 18.725 20.164 1.00 0.00 H new ATOM 0 HH TYR A 526 23.670 16.864 19.176 1.00 0.00 H new ATOM 856 N VAL A 527 15.030 19.096 20.550 1.00 0.00 N ATOM 857 CA VAL A 527 13.682 19.148 21.160 1.00 0.00 C ATOM 858 C VAL A 527 13.145 17.726 21.420 1.00 0.00 C ATOM 859 O VAL A 527 13.530 16.795 20.706 1.00 0.00 O ATOM 860 CB VAL A 527 12.670 19.913 20.271 1.00 0.00 C ATOM 861 CG1 VAL A 527 12.800 21.431 20.431 1.00 0.00 C ATOM 862 CG2 VAL A 527 12.774 19.562 18.781 1.00 0.00 C ATOM 0 H VAL A 527 15.157 18.266 19.971 1.00 0.00 H new ATOM 0 HA VAL A 527 13.787 19.683 22.104 1.00 0.00 H new ATOM 0 HB VAL A 527 11.692 19.588 20.626 1.00 0.00 H new ATOM 0 HG11 VAL A 527 12.072 21.928 19.790 1.00 0.00 H new ATOM 0 HG12 VAL A 527 12.615 21.705 21.470 1.00 0.00 H new ATOM 0 HG13 VAL A 527 13.805 21.742 20.147 1.00 0.00 H new ATOM 0 HG21 VAL A 527 12.036 20.135 18.220 1.00 0.00 H new ATOM 0 HG22 VAL A 527 13.773 19.804 18.419 1.00 0.00 H new ATOM 0 HG23 VAL A 527 12.587 18.497 18.644 1.00 0.00 H new ATOM 872 N PRO A 528 12.266 17.512 22.421 1.00 0.00 N ATOM 873 CA PRO A 528 11.741 16.181 22.738 1.00 0.00 C ATOM 874 C PRO A 528 10.820 15.637 21.632 1.00 0.00 C ATOM 875 O PRO A 528 9.956 16.351 21.122 1.00 0.00 O ATOM 876 CB PRO A 528 10.998 16.341 24.072 1.00 0.00 C ATOM 877 CG PRO A 528 10.641 17.826 24.144 1.00 0.00 C ATOM 878 CD PRO A 528 11.756 18.508 23.357 1.00 0.00 C ATOM 0 HA PRO A 528 12.545 15.449 22.812 1.00 0.00 H new ATOM 0 HB2 PRO A 528 10.105 15.717 24.105 1.00 0.00 H new ATOM 0 HB3 PRO A 528 11.625 16.044 24.912 1.00 0.00 H new ATOM 0 HG2 PRO A 528 9.663 18.024 23.705 1.00 0.00 H new ATOM 0 HG3 PRO A 528 10.605 18.179 25.175 1.00 0.00 H new ATOM 0 HD2 PRO A 528 11.379 19.382 22.827 1.00 0.00 H new ATOM 0 HD3 PRO A 528 12.546 18.855 24.023 1.00 0.00 H new ATOM 886 N TYR A 529 10.938 14.348 21.300 1.00 0.00 N ATOM 887 CA TYR A 529 10.049 13.690 20.326 1.00 0.00 C ATOM 888 C TYR A 529 8.570 13.659 20.751 1.00 0.00 C ATOM 889 O TYR A 529 7.694 13.513 19.901 1.00 0.00 O ATOM 890 CB TYR A 529 10.543 12.271 20.005 1.00 0.00 C ATOM 891 CG TYR A 529 10.087 11.183 20.965 1.00 0.00 C ATOM 892 CD1 TYR A 529 10.769 10.987 22.179 1.00 0.00 C ATOM 893 CD2 TYR A 529 8.979 10.369 20.648 1.00 0.00 C ATOM 894 CE1 TYR A 529 10.363 9.979 23.074 1.00 0.00 C ATOM 895 CE2 TYR A 529 8.562 9.364 21.542 1.00 0.00 C ATOM 896 CZ TYR A 529 9.256 9.162 22.756 1.00 0.00 C ATOM 897 OH TYR A 529 8.855 8.184 23.612 1.00 0.00 O ATOM 0 H TYR A 529 11.647 13.730 21.694 1.00 0.00 H new ATOM 0 HA TYR A 529 10.094 14.304 19.427 1.00 0.00 H new ATOM 0 HB2 TYR A 529 10.209 12.008 19.001 1.00 0.00 H new ATOM 0 HB3 TYR A 529 11.633 12.281 19.986 1.00 0.00 H new ATOM 0 HD1 TYR A 529 11.612 11.615 22.427 1.00 0.00 H new ATOM 0 HD2 TYR A 529 8.450 10.517 19.718 1.00 0.00 H new ATOM 0 HE1 TYR A 529 10.897 9.831 24.001 1.00 0.00 H new ATOM 0 HE2 TYR A 529 7.710 8.746 21.299 1.00 0.00 H new ATOM 0 HH TYR A 529 8.078 7.719 23.237 1.00 0.00 H new ATOM 907 N ASN A 530 8.273 13.814 22.048 1.00 0.00 N ATOM 908 CA ASN A 530 6.914 13.743 22.599 1.00 0.00 C ATOM 909 C ASN A 530 5.968 14.861 22.092 1.00 0.00 C ATOM 910 O ASN A 530 4.750 14.669 22.075 1.00 0.00 O ATOM 911 CB ASN A 530 7.032 13.728 24.135 1.00 0.00 C ATOM 912 CG ASN A 530 5.773 13.197 24.804 1.00 0.00 C ATOM 913 OD1 ASN A 530 4.923 13.941 25.277 1.00 0.00 O ATOM 914 ND2 ASN A 530 5.621 11.892 24.878 1.00 0.00 N ATOM 0 H ASN A 530 8.984 13.996 22.756 1.00 0.00 H new ATOM 0 HA ASN A 530 6.442 12.827 22.244 1.00 0.00 H new ATOM 0 HB2 ASN A 530 7.883 13.112 24.426 1.00 0.00 H new ATOM 0 HB3 ASN A 530 7.232 14.738 24.492 1.00 0.00 H new ATOM 0 HD21 ASN A 530 4.795 11.500 25.330 1.00 0.00 H new ATOM 0 HD22 ASN A 530 6.329 11.273 24.484 1.00 0.00 H new ATOM 921 N ILE A 531 6.519 15.999 21.637 1.00 0.00 N ATOM 922 CA ILE A 531 5.768 17.120 21.022 1.00 0.00 C ATOM 923 C ILE A 531 5.842 17.137 19.482 1.00 0.00 C ATOM 924 O ILE A 531 5.088 17.866 18.829 1.00 0.00 O ATOM 925 CB ILE A 531 6.232 18.483 21.588 1.00 0.00 C ATOM 926 CG1 ILE A 531 7.714 18.778 21.272 1.00 0.00 C ATOM 927 CG2 ILE A 531 5.949 18.543 23.101 1.00 0.00 C ATOM 928 CD1 ILE A 531 8.163 20.197 21.625 1.00 0.00 C ATOM 0 H ILE A 531 7.523 16.175 21.685 1.00 0.00 H new ATOM 0 HA ILE A 531 4.724 16.954 21.289 1.00 0.00 H new ATOM 0 HB ILE A 531 5.659 19.267 21.093 1.00 0.00 H new ATOM 0 HG12 ILE A 531 8.337 18.067 21.814 1.00 0.00 H new ATOM 0 HG13 ILE A 531 7.887 18.608 20.209 1.00 0.00 H new ATOM 0 HG21 ILE A 531 6.278 19.505 23.495 1.00 0.00 H new ATOM 0 HG22 ILE A 531 4.880 18.425 23.276 1.00 0.00 H new ATOM 0 HG23 ILE A 531 6.489 17.741 23.604 1.00 0.00 H new ATOM 0 HD11 ILE A 531 9.216 20.319 21.371 1.00 0.00 H new ATOM 0 HD12 ILE A 531 7.568 20.917 21.063 1.00 0.00 H new ATOM 0 HD13 ILE A 531 8.025 20.367 22.693 1.00 0.00 H new ATOM 940 N LEU A 532 6.743 16.338 18.903 1.00 0.00 N ATOM 941 CA LEU A 532 6.877 16.126 17.462 1.00 0.00 C ATOM 942 C LEU A 532 5.974 14.970 16.999 1.00 0.00 C ATOM 943 O LEU A 532 5.653 14.052 17.757 1.00 0.00 O ATOM 944 CB LEU A 532 8.349 15.810 17.114 1.00 0.00 C ATOM 945 CG LEU A 532 9.374 16.902 17.478 1.00 0.00 C ATOM 946 CD1 LEU A 532 10.780 16.421 17.118 1.00 0.00 C ATOM 947 CD2 LEU A 532 9.106 18.209 16.734 1.00 0.00 C ATOM 0 H LEU A 532 7.422 15.803 19.445 1.00 0.00 H new ATOM 0 HA LEU A 532 6.570 17.036 16.947 1.00 0.00 H new ATOM 0 HB2 LEU A 532 8.633 14.888 17.622 1.00 0.00 H new ATOM 0 HB3 LEU A 532 8.416 15.618 16.043 1.00 0.00 H new ATOM 0 HG LEU A 532 9.286 17.089 18.548 1.00 0.00 H new ATOM 0 HD11 LEU A 532 11.506 17.193 17.375 1.00 0.00 H new ATOM 0 HD12 LEU A 532 11.006 15.511 17.673 1.00 0.00 H new ATOM 0 HD13 LEU A 532 10.832 16.216 16.049 1.00 0.00 H new ATOM 0 HD21 LEU A 532 9.852 18.950 17.021 1.00 0.00 H new ATOM 0 HD22 LEU A 532 9.162 18.034 15.660 1.00 0.00 H new ATOM 0 HD23 LEU A 532 8.112 18.576 16.990 1.00 0.00 H new ATOM 959 N THR A 533 5.608 14.993 15.720 1.00 0.00 N ATOM 960 CA THR A 533 4.843 13.932 15.040 1.00 0.00 C ATOM 961 C THR A 533 5.187 13.933 13.548 1.00 0.00 C ATOM 962 O THR A 533 5.529 14.993 13.021 1.00 0.00 O ATOM 963 CB THR A 533 3.316 14.119 15.201 1.00 0.00 C ATOM 964 OG1 THR A 533 2.932 15.473 15.317 1.00 0.00 O ATOM 965 CG2 THR A 533 2.763 13.430 16.451 1.00 0.00 C ATOM 0 H THR A 533 5.839 15.771 15.102 1.00 0.00 H new ATOM 0 HA THR A 533 5.118 12.983 15.501 1.00 0.00 H new ATOM 0 HB THR A 533 2.911 13.675 14.292 1.00 0.00 H new ATOM 0 HG1 THR A 533 3.518 16.028 14.761 1.00 0.00 H new ATOM 0 HG21 THR A 533 1.687 13.595 16.512 1.00 0.00 H new ATOM 0 HG22 THR A 533 2.963 12.360 16.395 1.00 0.00 H new ATOM 0 HG23 THR A 533 3.244 13.843 17.337 1.00 0.00 H new ATOM 973 N PRO A 534 5.099 12.793 12.837 1.00 0.00 N ATOM 974 CA PRO A 534 5.382 12.740 11.401 1.00 0.00 C ATOM 975 C PRO A 534 4.400 13.609 10.596 1.00 0.00 C ATOM 976 O PRO A 534 3.295 13.912 11.054 1.00 0.00 O ATOM 977 CB PRO A 534 5.295 11.255 11.027 1.00 0.00 C ATOM 978 CG PRO A 534 4.349 10.671 12.076 1.00 0.00 C ATOM 979 CD PRO A 534 4.673 11.487 13.325 1.00 0.00 C ATOM 0 HA PRO A 534 6.365 13.147 11.165 1.00 0.00 H new ATOM 0 HB2 PRO A 534 4.907 11.119 10.018 1.00 0.00 H new ATOM 0 HB3 PRO A 534 6.274 10.776 11.060 1.00 0.00 H new ATOM 0 HG2 PRO A 534 3.305 10.780 11.783 1.00 0.00 H new ATOM 0 HG3 PRO A 534 4.527 9.607 12.232 1.00 0.00 H new ATOM 0 HD2 PRO A 534 3.801 11.575 13.973 1.00 0.00 H new ATOM 0 HD3 PRO A 534 5.459 11.012 13.911 1.00 0.00 H new ATOM 987 N TYR A 535 4.789 13.966 9.368 1.00 0.00 N ATOM 988 CA TYR A 535 3.978 14.772 8.443 1.00 0.00 C ATOM 989 C TYR A 535 3.701 14.013 7.126 1.00 0.00 C ATOM 990 O TYR A 535 4.280 14.332 6.082 1.00 0.00 O ATOM 991 CB TYR A 535 4.622 16.158 8.251 1.00 0.00 C ATOM 992 CG TYR A 535 3.769 17.183 7.511 1.00 0.00 C ATOM 993 CD1 TYR A 535 2.389 17.318 7.787 1.00 0.00 C ATOM 994 CD2 TYR A 535 4.371 18.025 6.555 1.00 0.00 C ATOM 995 CE1 TYR A 535 1.618 18.273 7.098 1.00 0.00 C ATOM 996 CE2 TYR A 535 3.603 18.990 5.870 1.00 0.00 C ATOM 997 CZ TYR A 535 2.222 19.112 6.138 1.00 0.00 C ATOM 998 OH TYR A 535 1.470 20.037 5.482 1.00 0.00 O ATOM 0 H TYR A 535 5.693 13.699 8.979 1.00 0.00 H new ATOM 0 HA TYR A 535 2.993 14.946 8.877 1.00 0.00 H new ATOM 0 HB2 TYR A 535 4.874 16.561 9.232 1.00 0.00 H new ATOM 0 HB3 TYR A 535 5.559 16.032 7.708 1.00 0.00 H new ATOM 0 HD1 TYR A 535 1.925 16.686 8.529 1.00 0.00 H new ATOM 0 HD2 TYR A 535 5.426 17.931 6.345 1.00 0.00 H new ATOM 0 HE1 TYR A 535 0.562 18.364 7.305 1.00 0.00 H new ATOM 0 HE2 TYR A 535 4.071 19.635 5.141 1.00 0.00 H new ATOM 0 HH TYR A 535 2.036 20.534 4.856 1.00 0.00 H new