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 -104:sc= 0.122 USER MOD Single : A 486 ASN : amide:sc= 0.655 K(o=0.65,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) USER MOD Single : A 495 SER OG : rot 38:sc= 0.15 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= -0.0523 K(o=-0.052,f=-0.99) USER MOD Single : A 511 SER OG : rot 180:sc= 0 USER MOD Single : A 513 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.00964) USER MOD Single : A 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 523 GLN : amide:sc= 0 X(o=0,f=-0.0015) USER MOD Single : A 526 TYR OH : rot 180:sc= 0 USER MOD Single : A 529 TYR OH : rot 180:sc= 0 USER MOD Single : A 530 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 533 THR OG1 : rot 48:sc= 1.2 USER MOD Single : A 535 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 117 N TRP A 482 10.200 14.279 7.407 1.00 0.00 N ATOM 118 CA TRP A 482 9.749 15.523 8.037 1.00 0.00 C ATOM 119 C TRP A 482 8.771 15.224 9.176 1.00 0.00 C ATOM 120 O TRP A 482 8.050 14.221 9.154 1.00 0.00 O ATOM 121 CB TRP A 482 9.094 16.437 6.985 1.00 0.00 C ATOM 122 CG TRP A 482 9.985 16.951 5.886 1.00 0.00 C ATOM 123 CD1 TRP A 482 10.362 16.256 4.788 1.00 0.00 C ATOM 124 CD2 TRP A 482 10.575 18.283 5.722 1.00 0.00 C ATOM 125 NE1 TRP A 482 11.147 17.049 3.969 1.00 0.00 N ATOM 126 CE2 TRP A 482 11.300 18.312 4.492 1.00 0.00 C ATOM 127 CE3 TRP A 482 10.553 19.476 6.476 1.00 0.00 C ATOM 128 CZ2 TRP A 482 11.965 19.464 4.035 1.00 0.00 C ATOM 129 CZ3 TRP A 482 11.212 20.638 6.030 1.00 0.00 C ATOM 130 CH2 TRP A 482 11.919 20.633 4.812 1.00 0.00 C ATOM 0 HA TRP A 482 10.613 16.037 8.458 1.00 0.00 H new ATOM 0 HB2 TRP A 482 8.269 15.891 6.527 1.00 0.00 H new ATOM 0 HB3 TRP A 482 8.662 17.294 7.501 1.00 0.00 H new ATOM 0 HD1 TRP A 482 10.090 15.232 4.581 1.00 0.00 H new ATOM 0 HE1 TRP A 482 11.559 16.737 3.090 1.00 0.00 H new ATOM 0 HE3 TRP A 482 10.020 19.498 7.415 1.00 0.00 H new ATOM 0 HZ2 TRP A 482 12.504 19.450 3.099 1.00 0.00 H new ATOM 0 HZ3 TRP A 482 11.175 21.538 6.626 1.00 0.00 H new ATOM 0 HH2 TRP A 482 12.425 21.526 4.476 1.00 0.00 H new ATOM 141 N VAL A 483 8.738 16.120 10.162 1.00 0.00 N ATOM 142 CA VAL A 483 7.943 15.990 11.393 1.00 0.00 C ATOM 143 C VAL A 483 7.196 17.293 11.667 1.00 0.00 C ATOM 144 O VAL A 483 7.794 18.319 12.002 1.00 0.00 O ATOM 145 CB VAL A 483 8.798 15.544 12.605 1.00 0.00 C ATOM 146 CG1 VAL A 483 9.068 14.038 12.556 1.00 0.00 C ATOM 147 CG2 VAL A 483 10.174 16.243 12.714 1.00 0.00 C ATOM 0 H VAL A 483 9.279 16.984 10.130 1.00 0.00 H new ATOM 0 HA VAL A 483 7.211 15.197 11.241 1.00 0.00 H new ATOM 0 HB VAL A 483 8.200 15.828 13.471 1.00 0.00 H new ATOM 0 HG11 VAL A 483 9.670 13.748 13.417 1.00 0.00 H new ATOM 0 HG12 VAL A 483 8.121 13.498 12.577 1.00 0.00 H new ATOM 0 HG13 VAL A 483 9.605 13.794 11.639 1.00 0.00 H new ATOM 0 HG21 VAL A 483 10.703 15.870 13.591 1.00 0.00 H new ATOM 0 HG22 VAL A 483 10.760 16.033 11.819 1.00 0.00 H new ATOM 0 HG23 VAL A 483 10.029 17.319 12.809 1.00 0.00 H new ATOM 157 N LEU A 484 5.873 17.265 11.482 1.00 0.00 N ATOM 158 CA LEU A 484 5.007 18.372 11.872 1.00 0.00 C ATOM 159 C LEU A 484 4.936 18.440 13.405 1.00 0.00 C ATOM 160 O LEU A 484 4.768 17.418 14.074 1.00 0.00 O ATOM 161 CB LEU A 484 3.608 18.179 11.253 1.00 0.00 C ATOM 162 CG LEU A 484 2.798 19.491 11.229 1.00 0.00 C ATOM 163 CD1 LEU A 484 3.243 20.399 10.070 1.00 0.00 C ATOM 164 CD2 LEU A 484 1.305 19.213 11.058 1.00 0.00 C ATOM 0 H LEU A 484 5.379 16.479 11.060 1.00 0.00 H new ATOM 0 HA LEU A 484 5.411 19.315 11.503 1.00 0.00 H new ATOM 0 HB2 LEU A 484 3.711 17.799 10.237 1.00 0.00 H new ATOM 0 HB3 LEU A 484 3.061 17.426 11.821 1.00 0.00 H new ATOM 0 HG LEU A 484 2.980 19.987 12.182 1.00 0.00 H new ATOM 0 HD11 LEU A 484 2.654 21.316 10.079 1.00 0.00 H new ATOM 0 HD12 LEU A 484 4.299 20.645 10.185 1.00 0.00 H new ATOM 0 HD13 LEU A 484 3.092 19.881 9.123 1.00 0.00 H new ATOM 0 HD21 LEU A 484 0.759 20.156 11.045 1.00 0.00 H new ATOM 0 HD22 LEU A 484 1.139 18.684 10.120 1.00 0.00 H new ATOM 0 HD23 LEU A 484 0.952 18.601 11.888 1.00 0.00 H new ATOM 176 N CYS A 485 5.060 19.631 13.983 1.00 0.00 N ATOM 177 CA CYS A 485 4.887 19.820 15.424 1.00 0.00 C ATOM 178 C CYS A 485 3.403 19.721 15.850 1.00 0.00 C ATOM 179 O CYS A 485 2.498 19.958 15.043 1.00 0.00 O ATOM 180 CB CYS A 485 5.494 21.183 15.768 1.00 0.00 C ATOM 181 SG CYS A 485 5.923 21.260 17.527 1.00 0.00 S ATOM 0 H CYS A 485 5.281 20.487 13.473 1.00 0.00 H new ATOM 0 HA CYS A 485 5.393 19.027 15.975 1.00 0.00 H new ATOM 0 HB2 CYS A 485 6.384 21.355 15.163 1.00 0.00 H new ATOM 0 HB3 CYS A 485 4.786 21.975 15.525 1.00 0.00 H new ATOM 0 HG CYS A 485 5.041 21.977 18.158 1.00 0.00 H new ATOM 187 N ASN A 486 3.139 19.435 17.129 1.00 0.00 N ATOM 188 CA ASN A 486 1.787 19.380 17.712 1.00 0.00 C ATOM 189 C ASN A 486 1.563 20.437 18.820 1.00 0.00 C ATOM 190 O ASN A 486 0.414 20.757 19.122 1.00 0.00 O ATOM 191 CB ASN A 486 1.520 17.948 18.230 1.00 0.00 C ATOM 192 CG ASN A 486 0.053 17.527 18.156 1.00 0.00 C ATOM 193 OD1 ASN A 486 -0.299 16.529 17.541 1.00 0.00 O ATOM 194 ND2 ASN A 486 -0.852 18.256 18.764 1.00 0.00 N ATOM 0 H ASN A 486 3.874 19.230 17.806 1.00 0.00 H new ATOM 0 HA ASN A 486 1.070 19.626 16.929 1.00 0.00 H new ATOM 0 HB2 ASN A 486 2.119 17.245 17.651 1.00 0.00 H new ATOM 0 HB3 ASN A 486 1.856 17.878 19.264 1.00 0.00 H new ATOM 0 HD21 ASN A 486 -1.835 17.989 18.721 1.00 0.00 H new ATOM 0 HD22 ASN A 486 -0.572 19.090 19.280 1.00 0.00 H new ATOM 201 N TYR A 487 2.633 21.005 19.394 1.00 0.00 N ATOM 202 CA TYR A 487 2.589 21.966 20.510 1.00 0.00 C ATOM 203 C TYR A 487 3.807 22.900 20.482 1.00 0.00 C ATOM 204 O TYR A 487 4.939 22.445 20.317 1.00 0.00 O ATOM 205 CB TYR A 487 2.581 21.207 21.851 1.00 0.00 C ATOM 206 CG TYR A 487 1.415 20.247 22.029 1.00 0.00 C ATOM 207 CD1 TYR A 487 0.152 20.740 22.418 1.00 0.00 C ATOM 208 CD2 TYR A 487 1.585 18.873 21.750 1.00 0.00 C ATOM 209 CE1 TYR A 487 -0.946 19.861 22.514 1.00 0.00 C ATOM 210 CE2 TYR A 487 0.486 17.994 21.841 1.00 0.00 C ATOM 211 CZ TYR A 487 -0.784 18.489 22.222 1.00 0.00 C ATOM 212 OH TYR A 487 -1.861 17.652 22.299 1.00 0.00 O ATOM 0 H TYR A 487 3.584 20.803 19.086 1.00 0.00 H new ATOM 0 HA TYR A 487 1.682 22.561 20.405 1.00 0.00 H new ATOM 0 HB2 TYR A 487 3.512 20.648 21.942 1.00 0.00 H new ATOM 0 HB3 TYR A 487 2.564 21.933 22.664 1.00 0.00 H new ATOM 0 HD1 TYR A 487 0.026 21.789 22.642 1.00 0.00 H new ATOM 0 HD2 TYR A 487 2.557 18.496 21.467 1.00 0.00 H new ATOM 0 HE1 TYR A 487 -1.913 20.238 22.812 1.00 0.00 H new ATOM 0 HE2 TYR A 487 0.613 16.944 21.620 1.00 0.00 H new ATOM 0 HH TYR A 487 -1.584 16.741 22.067 1.00 0.00 H new ATOM 222 N ASP A 488 3.596 24.207 20.670 1.00 0.00 N ATOM 223 CA ASP A 488 4.691 25.186 20.770 1.00 0.00 C ATOM 224 C ASP A 488 5.644 24.906 21.952 1.00 0.00 C ATOM 225 O ASP A 488 5.250 24.359 22.991 1.00 0.00 O ATOM 226 CB ASP A 488 4.125 26.613 20.849 1.00 0.00 C ATOM 227 CG ASP A 488 3.510 26.942 22.223 1.00 0.00 C ATOM 228 OD1 ASP A 488 2.334 26.579 22.472 1.00 0.00 O ATOM 229 OD2 ASP A 488 4.189 27.604 23.047 1.00 0.00 O ATOM 0 H ASP A 488 2.666 24.618 20.757 1.00 0.00 H new ATOM 0 HA ASP A 488 5.289 25.087 19.864 1.00 0.00 H new ATOM 0 HB2 ASP A 488 4.921 27.326 20.633 1.00 0.00 H new ATOM 0 HB3 ASP A 488 3.366 26.740 20.077 1.00 0.00 H new ATOM 234 N PHE A 489 6.905 25.321 21.801 1.00 0.00 N ATOM 235 CA PHE A 489 7.961 25.158 22.809 1.00 0.00 C ATOM 236 C PHE A 489 9.025 26.254 22.646 1.00 0.00 C ATOM 237 O PHE A 489 9.448 26.555 21.527 1.00 0.00 O ATOM 238 CB PHE A 489 8.572 23.755 22.638 1.00 0.00 C ATOM 239 CG PHE A 489 9.801 23.437 23.469 1.00 0.00 C ATOM 240 CD1 PHE A 489 9.667 23.061 24.820 1.00 0.00 C ATOM 241 CD2 PHE A 489 11.081 23.456 22.878 1.00 0.00 C ATOM 242 CE1 PHE A 489 10.806 22.733 25.581 1.00 0.00 C ATOM 243 CE2 PHE A 489 12.214 23.108 23.632 1.00 0.00 C ATOM 244 CZ PHE A 489 12.081 22.759 24.988 1.00 0.00 C ATOM 0 H PHE A 489 7.229 25.791 20.956 1.00 0.00 H new ATOM 0 HA PHE A 489 7.549 25.254 23.814 1.00 0.00 H new ATOM 0 HB2 PHE A 489 7.803 23.019 22.873 1.00 0.00 H new ATOM 0 HB3 PHE A 489 8.829 23.622 21.587 1.00 0.00 H new ATOM 0 HD1 PHE A 489 8.688 23.024 25.274 1.00 0.00 H new ATOM 0 HD2 PHE A 489 11.191 23.739 21.842 1.00 0.00 H new ATOM 0 HE1 PHE A 489 10.700 22.461 26.621 1.00 0.00 H new ATOM 0 HE2 PHE A 489 13.190 23.108 23.169 1.00 0.00 H new ATOM 0 HZ PHE A 489 12.955 22.512 25.572 1.00 0.00 H new ATOM 254 N GLN A 490 9.496 26.819 23.761 1.00 0.00 N ATOM 255 CA GLN A 490 10.549 27.832 23.792 1.00 0.00 C ATOM 256 C GLN A 490 11.695 27.368 24.702 1.00 0.00 C ATOM 257 O GLN A 490 11.559 27.279 25.925 1.00 0.00 O ATOM 258 CB GLN A 490 9.974 29.198 24.212 1.00 0.00 C ATOM 259 CG GLN A 490 11.057 30.293 24.129 1.00 0.00 C ATOM 260 CD GLN A 490 10.559 31.669 24.578 1.00 0.00 C ATOM 261 OE1 GLN A 490 9.500 32.149 24.187 1.00 0.00 O ATOM 262 NE2 GLN A 490 11.303 32.368 25.410 1.00 0.00 N ATOM 0 H GLN A 490 9.146 26.577 24.688 1.00 0.00 H new ATOM 0 HA GLN A 490 10.961 27.961 22.791 1.00 0.00 H new ATOM 0 HB2 GLN A 490 9.135 29.459 23.567 1.00 0.00 H new ATOM 0 HB3 GLN A 490 9.587 29.138 25.229 1.00 0.00 H new ATOM 0 HG2 GLN A 490 11.907 30.002 24.747 1.00 0.00 H new ATOM 0 HG3 GLN A 490 11.417 30.361 23.103 1.00 0.00 H new ATOM 0 HE21 GLN A 490 12.187 31.987 25.747 1.00 0.00 H new ATOM 0 HE22 GLN A 490 10.995 33.291 25.717 1.00 0.00 H new ATOM 271 N ALA A 491 12.837 27.101 24.072 1.00 0.00 N ATOM 272 CA ALA A 491 14.090 26.724 24.717 1.00 0.00 C ATOM 273 C ALA A 491 14.968 27.955 25.013 1.00 0.00 C ATOM 274 O ALA A 491 15.018 28.425 26.152 1.00 0.00 O ATOM 275 CB ALA A 491 14.784 25.733 23.783 1.00 0.00 C ATOM 0 H ALA A 491 12.916 27.144 23.056 1.00 0.00 H new ATOM 0 HA ALA A 491 13.904 26.263 25.687 1.00 0.00 H new ATOM 0 HB1 ALA A 491 15.731 25.420 24.223 1.00 0.00 H new ATOM 0 HB2 ALA A 491 14.145 24.862 23.638 1.00 0.00 H new ATOM 0 HB3 ALA A 491 14.972 26.210 22.821 1.00 0.00 H new ATOM 330 N SER A 495 22.389 24.853 23.469 1.00 0.00 N ATOM 331 CA SER A 495 22.293 23.864 22.367 1.00 0.00 C ATOM 332 C SER A 495 20.853 23.475 21.959 1.00 0.00 C ATOM 333 O SER A 495 20.640 22.502 21.235 1.00 0.00 O ATOM 334 CB SER A 495 23.140 22.614 22.671 1.00 0.00 C ATOM 335 OG SER A 495 24.459 22.964 23.074 1.00 0.00 O ATOM 0 HA SER A 495 22.701 24.375 21.495 1.00 0.00 H new ATOM 0 HB2 SER A 495 22.661 22.031 23.457 1.00 0.00 H new ATOM 0 HB3 SER A 495 23.185 21.979 21.786 1.00 0.00 H new ATOM 0 HG SER A 495 24.428 23.768 23.634 1.00 0.00 H new ATOM 341 N GLU A 496 19.848 24.239 22.391 1.00 0.00 N ATOM 342 CA GLU A 496 18.416 23.997 22.160 1.00 0.00 C ATOM 343 C GLU A 496 17.813 25.079 21.243 1.00 0.00 C ATOM 344 O GLU A 496 18.404 26.148 21.051 1.00 0.00 O ATOM 345 CB GLU A 496 17.668 23.982 23.507 1.00 0.00 C ATOM 346 CG GLU A 496 18.029 22.850 24.469 1.00 0.00 C ATOM 347 CD GLU A 496 17.552 23.157 25.903 1.00 0.00 C ATOM 348 OE1 GLU A 496 16.317 23.232 26.140 1.00 0.00 O ATOM 349 OE2 GLU A 496 18.396 23.334 26.808 1.00 0.00 O ATOM 0 H GLU A 496 20.014 25.084 22.938 1.00 0.00 H new ATOM 0 HA GLU A 496 18.307 23.031 21.668 1.00 0.00 H new ATOM 0 HB2 GLU A 496 17.851 24.931 24.011 1.00 0.00 H new ATOM 0 HB3 GLU A 496 16.598 23.931 23.304 1.00 0.00 H new ATOM 0 HG2 GLU A 496 17.577 21.920 24.125 1.00 0.00 H new ATOM 0 HG3 GLU A 496 19.109 22.699 24.467 1.00 0.00 H new ATOM 356 N LEU A 497 16.616 24.824 20.701 1.00 0.00 N ATOM 357 CA LEU A 497 15.924 25.728 19.776 1.00 0.00 C ATOM 358 C LEU A 497 14.398 25.694 19.995 1.00 0.00 C ATOM 359 O LEU A 497 13.816 24.635 20.231 1.00 0.00 O ATOM 360 CB LEU A 497 16.289 25.304 18.339 1.00 0.00 C ATOM 361 CG LEU A 497 15.914 26.377 17.299 1.00 0.00 C ATOM 362 CD1 LEU A 497 17.098 27.307 16.962 1.00 0.00 C ATOM 363 CD2 LEU A 497 15.395 25.721 16.028 1.00 0.00 C ATOM 0 H LEU A 497 16.093 23.970 20.896 1.00 0.00 H new ATOM 0 HA LEU A 497 16.240 26.756 19.955 1.00 0.00 H new ATOM 0 HB2 LEU A 497 17.359 25.105 18.282 1.00 0.00 H new ATOM 0 HB3 LEU A 497 15.778 24.372 18.097 1.00 0.00 H new ATOM 0 HG LEU A 497 15.130 26.991 17.742 1.00 0.00 H new ATOM 0 HD11 LEU A 497 16.782 28.045 16.225 1.00 0.00 H new ATOM 0 HD12 LEU A 497 17.430 27.816 17.867 1.00 0.00 H new ATOM 0 HD13 LEU A 497 17.920 26.717 16.556 1.00 0.00 H new ATOM 0 HD21 LEU A 497 15.134 26.491 15.302 1.00 0.00 H new ATOM 0 HD22 LEU A 497 16.167 25.075 15.610 1.00 0.00 H new ATOM 0 HD23 LEU A 497 14.511 25.126 16.260 1.00 0.00 H new ATOM 375 N SER A 498 13.744 26.858 19.921 1.00 0.00 N ATOM 376 CA SER A 498 12.276 26.971 19.946 1.00 0.00 C ATOM 377 C SER A 498 11.609 26.400 18.681 1.00 0.00 C ATOM 378 O SER A 498 12.199 26.409 17.597 1.00 0.00 O ATOM 379 CB SER A 498 11.876 28.444 20.142 1.00 0.00 C ATOM 380 OG SER A 498 12.413 29.293 19.134 1.00 0.00 O ATOM 0 H SER A 498 14.219 27.757 19.841 1.00 0.00 H new ATOM 0 HA SER A 498 11.918 26.371 20.783 1.00 0.00 H new ATOM 0 HB2 SER A 498 10.789 28.525 20.140 1.00 0.00 H new ATOM 0 HB3 SER A 498 12.219 28.783 21.119 1.00 0.00 H new ATOM 0 HG SER A 498 12.131 30.217 19.300 1.00 0.00 H new ATOM 386 N VAL A 499 10.347 25.972 18.810 1.00 0.00 N ATOM 387 CA VAL A 499 9.498 25.472 17.708 1.00 0.00 C ATOM 388 C VAL A 499 8.039 25.925 17.871 1.00 0.00 C ATOM 389 O VAL A 499 7.617 26.341 18.954 1.00 0.00 O ATOM 390 CB VAL A 499 9.566 23.931 17.564 1.00 0.00 C ATOM 391 CG1 VAL A 499 10.966 23.442 17.173 1.00 0.00 C ATOM 392 CG2 VAL A 499 9.147 23.169 18.826 1.00 0.00 C ATOM 0 H VAL A 499 9.868 25.962 19.711 1.00 0.00 H new ATOM 0 HA VAL A 499 9.898 25.908 16.793 1.00 0.00 H new ATOM 0 HB VAL A 499 8.851 23.716 16.770 1.00 0.00 H new ATOM 0 HG11 VAL A 499 10.960 22.356 17.085 1.00 0.00 H new ATOM 0 HG12 VAL A 499 11.251 23.882 16.218 1.00 0.00 H new ATOM 0 HG13 VAL A 499 11.683 23.740 17.938 1.00 0.00 H new ATOM 0 HG21 VAL A 499 9.222 22.097 18.645 1.00 0.00 H new ATOM 0 HG22 VAL A 499 9.803 23.444 19.652 1.00 0.00 H new ATOM 0 HG23 VAL A 499 8.118 23.423 19.080 1.00 0.00 H new ATOM 402 N LYS A 500 7.255 25.830 16.791 1.00 0.00 N ATOM 403 CA LYS A 500 5.832 26.225 16.723 1.00 0.00 C ATOM 404 C LYS A 500 4.995 25.074 16.168 1.00 0.00 C ATOM 405 O LYS A 500 5.485 24.277 15.373 1.00 0.00 O ATOM 406 CB LYS A 500 5.657 27.438 15.783 1.00 0.00 C ATOM 407 CG LYS A 500 6.454 28.709 16.120 1.00 0.00 C ATOM 408 CD LYS A 500 5.768 29.642 17.135 1.00 0.00 C ATOM 409 CE LYS A 500 6.061 29.310 18.605 1.00 0.00 C ATOM 410 NZ LYS A 500 7.425 29.758 19.012 1.00 0.00 N ATOM 0 H LYS A 500 7.601 25.463 15.904 1.00 0.00 H new ATOM 0 HA LYS A 500 5.504 26.481 17.730 1.00 0.00 H new ATOM 0 HB2 LYS A 500 5.929 27.126 14.775 1.00 0.00 H new ATOM 0 HB3 LYS A 500 4.599 27.699 15.761 1.00 0.00 H new ATOM 0 HG2 LYS A 500 7.428 28.418 16.513 1.00 0.00 H new ATOM 0 HG3 LYS A 500 6.635 29.264 15.200 1.00 0.00 H new ATOM 0 HD2 LYS A 500 6.083 30.667 16.938 1.00 0.00 H new ATOM 0 HD3 LYS A 500 4.691 29.603 16.975 1.00 0.00 H new ATOM 0 HE2 LYS A 500 5.316 29.788 19.241 1.00 0.00 H new ATOM 0 HE3 LYS A 500 5.970 28.235 18.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 500 7.586 29.516 20.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 500 8.137 29.283 18.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 500 7.504 30.788 18.888 1.00 0.00 H new ATOM 424 N GLN A 501 3.707 25.053 16.502 1.00 0.00 N ATOM 425 CA GLN A 501 2.759 24.015 16.061 1.00 0.00 C ATOM 426 C GLN A 501 2.579 23.950 14.528 1.00 0.00 C ATOM 427 O GLN A 501 2.202 22.907 13.994 1.00 0.00 O ATOM 428 CB GLN A 501 1.425 24.221 16.801 1.00 0.00 C ATOM 429 CG GLN A 501 0.463 23.021 16.698 1.00 0.00 C ATOM 430 CD GLN A 501 -0.488 23.046 15.493 1.00 0.00 C ATOM 431 OE1 GLN A 501 -1.117 24.049 15.168 1.00 0.00 O ATOM 432 NE2 GLN A 501 -0.649 21.939 14.797 1.00 0.00 N ATOM 0 H GLN A 501 3.279 25.764 17.095 1.00 0.00 H new ATOM 0 HA GLN A 501 3.174 23.041 16.321 1.00 0.00 H new ATOM 0 HB2 GLN A 501 1.631 24.420 17.853 1.00 0.00 H new ATOM 0 HB3 GLN A 501 0.931 25.106 16.400 1.00 0.00 H new ATOM 0 HG2 GLN A 501 1.053 22.106 16.656 1.00 0.00 H new ATOM 0 HG3 GLN A 501 -0.133 22.974 17.610 1.00 0.00 H new ATOM 0 HE21 GLN A 501 -0.134 21.096 15.053 1.00 0.00 H new ATOM 0 HE22 GLN A 501 -1.288 21.925 14.002 1.00 0.00 H new ATOM 441 N ARG A 502 2.896 25.038 13.811 1.00 0.00 N ATOM 442 CA ARG A 502 2.718 25.176 12.347 1.00 0.00 C ATOM 443 C ARG A 502 4.048 25.311 11.594 1.00 0.00 C ATOM 444 O ARG A 502 4.077 25.733 10.437 1.00 0.00 O ATOM 445 CB ARG A 502 1.729 26.321 12.041 1.00 0.00 C ATOM 446 CG ARG A 502 0.441 26.209 12.880 1.00 0.00 C ATOM 447 CD ARG A 502 -0.733 26.989 12.272 1.00 0.00 C ATOM 448 NE ARG A 502 -1.334 26.269 11.127 1.00 0.00 N ATOM 449 CZ ARG A 502 -2.189 25.259 11.183 1.00 0.00 C ATOM 450 NH1 ARG A 502 -2.602 24.747 12.312 1.00 0.00 N ATOM 451 NH2 ARG A 502 -2.655 24.731 10.087 1.00 0.00 N ATOM 0 H ARG A 502 3.295 25.873 14.240 1.00 0.00 H new ATOM 0 HA ARG A 502 2.283 24.250 11.971 1.00 0.00 H new ATOM 0 HB2 ARG A 502 2.210 27.279 12.240 1.00 0.00 H new ATOM 0 HB3 ARG A 502 1.474 26.307 10.981 1.00 0.00 H new ATOM 0 HG2 ARG A 502 0.164 25.159 12.974 1.00 0.00 H new ATOM 0 HG3 ARG A 502 0.635 26.579 13.887 1.00 0.00 H new ATOM 0 HD2 ARG A 502 -1.493 27.157 13.035 1.00 0.00 H new ATOM 0 HD3 ARG A 502 -0.388 27.970 11.945 1.00 0.00 H new ATOM 0 HE ARG A 502 -1.061 26.584 10.196 1.00 0.00 H new ATOM 0 HH11 ARG A 502 -2.265 25.125 13.197 1.00 0.00 H new ATOM 0 HH12 ARG A 502 -3.262 23.969 12.308 1.00 0.00 H new ATOM 0 HH21 ARG A 502 -2.362 25.095 9.181 1.00 0.00 H new ATOM 0 HH22 ARG A 502 -3.313 23.953 10.135 1.00 0.00 H new ATOM 465 N ASP A 503 5.152 24.954 12.251 1.00 0.00 N ATOM 466 CA ASP A 503 6.506 24.954 11.688 1.00 0.00 C ATOM 467 C ASP A 503 6.884 23.537 11.215 1.00 0.00 C ATOM 468 O ASP A 503 6.989 22.602 12.015 1.00 0.00 O ATOM 469 CB ASP A 503 7.470 25.502 12.756 1.00 0.00 C ATOM 470 CG ASP A 503 8.907 25.715 12.252 1.00 0.00 C ATOM 471 OD1 ASP A 503 9.172 25.601 11.047 1.00 0.00 O ATOM 472 OD2 ASP A 503 9.768 26.072 13.112 1.00 0.00 O ATOM 0 H ASP A 503 5.129 24.646 13.223 1.00 0.00 H new ATOM 0 HA ASP A 503 6.565 25.596 10.809 1.00 0.00 H new ATOM 0 HB2 ASP A 503 7.082 26.450 13.128 1.00 0.00 H new ATOM 0 HB3 ASP A 503 7.490 24.813 13.600 1.00 0.00 H new ATOM 477 N VAL A 504 7.028 23.362 9.896 1.00 0.00 N ATOM 478 CA VAL A 504 7.442 22.095 9.268 1.00 0.00 C ATOM 479 C VAL A 504 8.965 21.931 9.408 1.00 0.00 C ATOM 480 O VAL A 504 9.730 22.764 8.912 1.00 0.00 O ATOM 481 CB VAL A 504 7.045 22.043 7.774 1.00 0.00 C ATOM 482 CG1 VAL A 504 7.217 20.628 7.188 1.00 0.00 C ATOM 483 CG2 VAL A 504 5.590 22.466 7.519 1.00 0.00 C ATOM 0 H VAL A 504 6.858 24.108 9.221 1.00 0.00 H new ATOM 0 HA VAL A 504 6.929 21.279 9.777 1.00 0.00 H new ATOM 0 HB VAL A 504 7.717 22.750 7.287 1.00 0.00 H new ATOM 0 HG11 VAL A 504 6.928 20.632 6.137 1.00 0.00 H new ATOM 0 HG12 VAL A 504 8.259 20.322 7.277 1.00 0.00 H new ATOM 0 HG13 VAL A 504 6.585 19.928 7.735 1.00 0.00 H new ATOM 0 HG21 VAL A 504 5.376 22.407 6.452 1.00 0.00 H new ATOM 0 HG22 VAL A 504 4.917 21.801 8.061 1.00 0.00 H new ATOM 0 HG23 VAL A 504 5.443 23.490 7.863 1.00 0.00 H new ATOM 493 N LEU A 505 9.406 20.849 10.061 1.00 0.00 N ATOM 494 CA LEU A 505 10.810 20.625 10.443 1.00 0.00 C ATOM 495 C LEU A 505 11.345 19.310 9.859 1.00 0.00 C ATOM 496 O LEU A 505 10.620 18.317 9.776 1.00 0.00 O ATOM 497 CB LEU A 505 10.904 20.612 11.982 1.00 0.00 C ATOM 498 CG LEU A 505 10.526 21.943 12.662 1.00 0.00 C ATOM 499 CD1 LEU A 505 10.367 21.751 14.169 1.00 0.00 C ATOM 500 CD2 LEU A 505 11.582 23.020 12.422 1.00 0.00 C ATOM 0 H LEU A 505 8.787 20.089 10.345 1.00 0.00 H new ATOM 0 HA LEU A 505 11.424 21.430 10.039 1.00 0.00 H new ATOM 0 HB2 LEU A 505 10.253 19.826 12.365 1.00 0.00 H new ATOM 0 HB3 LEU A 505 11.923 20.350 12.268 1.00 0.00 H new ATOM 0 HG LEU A 505 9.582 22.265 12.222 1.00 0.00 H new ATOM 0 HD11 LEU A 505 10.100 22.702 14.631 1.00 0.00 H new ATOM 0 HD12 LEU A 505 9.581 21.021 14.362 1.00 0.00 H new ATOM 0 HD13 LEU A 505 11.306 21.393 14.591 1.00 0.00 H new ATOM 0 HD21 LEU A 505 11.279 23.943 12.917 1.00 0.00 H new ATOM 0 HD22 LEU A 505 12.538 22.688 12.826 1.00 0.00 H new ATOM 0 HD23 LEU A 505 11.683 23.199 11.351 1.00 0.00 H new ATOM 512 N GLU A 506 12.624 19.291 9.476 1.00 0.00 N ATOM 513 CA GLU A 506 13.271 18.117 8.869 1.00 0.00 C ATOM 514 C GLU A 506 14.151 17.414 9.907 1.00 0.00 C ATOM 515 O GLU A 506 15.096 18.010 10.425 1.00 0.00 O ATOM 516 CB GLU A 506 14.089 18.537 7.632 1.00 0.00 C ATOM 517 CG GLU A 506 14.491 17.315 6.786 1.00 0.00 C ATOM 518 CD GLU A 506 15.523 17.656 5.688 1.00 0.00 C ATOM 519 OE1 GLU A 506 15.487 18.760 5.094 1.00 0.00 O ATOM 520 OE2 GLU A 506 16.388 16.793 5.393 1.00 0.00 O ATOM 0 H GLU A 506 13.247 20.093 9.577 1.00 0.00 H new ATOM 0 HA GLU A 506 12.506 17.414 8.538 1.00 0.00 H new ATOM 0 HB2 GLU A 506 13.504 19.227 7.024 1.00 0.00 H new ATOM 0 HB3 GLU A 506 14.984 19.072 7.950 1.00 0.00 H new ATOM 0 HG2 GLU A 506 14.904 16.547 7.440 1.00 0.00 H new ATOM 0 HG3 GLU A 506 13.600 16.892 6.321 1.00 0.00 H new ATOM 527 N VAL A 507 13.823 16.162 10.241 1.00 0.00 N ATOM 528 CA VAL A 507 14.600 15.330 11.174 1.00 0.00 C ATOM 529 C VAL A 507 15.967 14.936 10.595 1.00 0.00 C ATOM 530 O VAL A 507 16.083 14.557 9.428 1.00 0.00 O ATOM 531 CB VAL A 507 13.786 14.106 11.647 1.00 0.00 C ATOM 532 CG1 VAL A 507 13.376 13.131 10.528 1.00 0.00 C ATOM 533 CG2 VAL A 507 14.519 13.309 12.734 1.00 0.00 C ATOM 0 H VAL A 507 13.000 15.689 9.868 1.00 0.00 H new ATOM 0 HA VAL A 507 14.807 15.936 12.056 1.00 0.00 H new ATOM 0 HB VAL A 507 12.875 14.550 12.047 1.00 0.00 H new ATOM 0 HG11 VAL A 507 12.809 12.304 10.956 1.00 0.00 H new ATOM 0 HG12 VAL A 507 12.759 13.654 9.797 1.00 0.00 H new ATOM 0 HG13 VAL A 507 14.269 12.743 10.038 1.00 0.00 H new ATOM 0 HG21 VAL A 507 13.908 12.458 13.035 1.00 0.00 H new ATOM 0 HG22 VAL A 507 15.472 12.952 12.343 1.00 0.00 H new ATOM 0 HG23 VAL A 507 14.698 13.950 13.597 1.00 0.00 H new ATOM 543 N LEU A 508 16.990 15.009 11.451 1.00 0.00 N ATOM 544 CA LEU A 508 18.402 14.755 11.120 1.00 0.00 C ATOM 545 C LEU A 508 19.020 13.663 12.010 1.00 0.00 C ATOM 546 O LEU A 508 19.890 12.916 11.557 1.00 0.00 O ATOM 547 CB LEU A 508 19.202 16.056 11.312 1.00 0.00 C ATOM 548 CG LEU A 508 18.678 17.309 10.588 1.00 0.00 C ATOM 549 CD1 LEU A 508 19.532 18.490 11.042 1.00 0.00 C ATOM 550 CD2 LEU A 508 18.742 17.195 9.065 1.00 0.00 C ATOM 0 H LEU A 508 16.856 15.256 12.432 1.00 0.00 H new ATOM 0 HA LEU A 508 18.444 14.412 10.086 1.00 0.00 H new ATOM 0 HB2 LEU A 508 19.244 16.274 12.379 1.00 0.00 H new ATOM 0 HB3 LEU A 508 20.225 15.877 10.982 1.00 0.00 H new ATOM 0 HG LEU A 508 17.626 17.437 10.843 1.00 0.00 H new ATOM 0 HD11 LEU A 508 19.188 19.399 10.548 1.00 0.00 H new ATOM 0 HD12 LEU A 508 19.444 18.609 12.122 1.00 0.00 H new ATOM 0 HD13 LEU A 508 20.574 18.307 10.781 1.00 0.00 H new ATOM 0 HD21 LEU A 508 18.358 18.111 8.615 1.00 0.00 H new ATOM 0 HD22 LEU A 508 19.776 17.044 8.755 1.00 0.00 H new ATOM 0 HD23 LEU A 508 18.138 16.349 8.738 1.00 0.00 H new ATOM 562 N ASP A 509 18.567 13.563 13.265 1.00 0.00 N ATOM 563 CA ASP A 509 18.942 12.505 14.210 1.00 0.00 C ATOM 564 C ASP A 509 17.773 12.168 15.152 1.00 0.00 C ATOM 565 O ASP A 509 17.067 13.053 15.640 1.00 0.00 O ATOM 566 CB ASP A 509 20.172 12.934 15.027 1.00 0.00 C ATOM 567 CG ASP A 509 20.570 11.868 16.065 1.00 0.00 C ATOM 568 OD1 ASP A 509 20.773 10.691 15.679 1.00 0.00 O ATOM 569 OD2 ASP A 509 20.682 12.199 17.269 1.00 0.00 O ATOM 0 H ASP A 509 17.911 14.235 13.662 1.00 0.00 H new ATOM 0 HA ASP A 509 19.189 11.611 13.638 1.00 0.00 H new ATOM 0 HB2 ASP A 509 21.010 13.116 14.354 1.00 0.00 H new ATOM 0 HB3 ASP A 509 19.961 13.875 15.535 1.00 0.00 H new ATOM 574 N ASP A 510 17.613 10.872 15.424 1.00 0.00 N ATOM 575 CA ASP A 510 16.523 10.269 16.203 1.00 0.00 C ATOM 576 C ASP A 510 17.016 9.138 17.142 1.00 0.00 C ATOM 577 O ASP A 510 16.218 8.376 17.695 1.00 0.00 O ATOM 578 CB ASP A 510 15.421 9.802 15.232 1.00 0.00 C ATOM 579 CG ASP A 510 15.926 8.816 14.162 1.00 0.00 C ATOM 580 OD1 ASP A 510 16.070 7.601 14.465 1.00 0.00 O ATOM 581 OD2 ASP A 510 16.171 9.234 13.008 1.00 0.00 O ATOM 0 H ASP A 510 18.276 10.173 15.089 1.00 0.00 H new ATOM 0 HA ASP A 510 16.106 11.021 16.873 1.00 0.00 H new ATOM 0 HB2 ASP A 510 14.621 9.330 15.802 1.00 0.00 H new ATOM 0 HB3 ASP A 510 14.989 10.673 14.738 1.00 0.00 H new ATOM 586 N SER A 511 18.339 9.037 17.345 1.00 0.00 N ATOM 587 CA SER A 511 19.003 8.059 18.228 1.00 0.00 C ATOM 588 C SER A 511 18.620 8.199 19.716 1.00 0.00 C ATOM 589 O SER A 511 18.704 7.230 20.480 1.00 0.00 O ATOM 590 CB SER A 511 20.523 8.212 18.060 1.00 0.00 C ATOM 591 OG SER A 511 21.232 7.157 18.691 1.00 0.00 O ATOM 0 H SER A 511 19.003 9.657 16.882 1.00 0.00 H new ATOM 0 HA SER A 511 18.665 7.067 17.929 1.00 0.00 H new ATOM 0 HB2 SER A 511 20.771 8.233 16.999 1.00 0.00 H new ATOM 0 HB3 SER A 511 20.841 9.166 18.480 1.00 0.00 H new ATOM 0 HG SER A 511 22.195 7.287 18.562 1.00 0.00 H new ATOM 597 N ARG A 512 18.163 9.391 20.132 1.00 0.00 N ATOM 598 CA ARG A 512 17.808 9.762 21.518 1.00 0.00 C ATOM 599 C ARG A 512 16.439 10.453 21.586 1.00 0.00 C ATOM 600 O ARG A 512 15.842 10.755 20.555 1.00 0.00 O ATOM 601 CB ARG A 512 18.914 10.669 22.106 1.00 0.00 C ATOM 602 CG ARG A 512 20.310 10.017 22.106 1.00 0.00 C ATOM 603 CD ARG A 512 21.371 10.933 22.732 1.00 0.00 C ATOM 604 NE ARG A 512 21.198 11.072 24.196 1.00 0.00 N ATOM 605 CZ ARG A 512 21.878 11.882 24.990 1.00 0.00 C ATOM 606 NH1 ARG A 512 22.795 12.694 24.540 1.00 0.00 N ATOM 607 NH2 ARG A 512 21.652 11.892 26.273 1.00 0.00 N ATOM 0 H ARG A 512 18.023 10.163 19.481 1.00 0.00 H new ATOM 0 HA ARG A 512 17.734 8.852 22.113 1.00 0.00 H new ATOM 0 HB2 ARG A 512 18.955 11.596 21.534 1.00 0.00 H new ATOM 0 HB3 ARG A 512 18.647 10.937 23.128 1.00 0.00 H new ATOM 0 HG2 ARG A 512 20.271 9.077 22.657 1.00 0.00 H new ATOM 0 HG3 ARG A 512 20.598 9.775 21.083 1.00 0.00 H new ATOM 0 HD2 ARG A 512 22.363 10.533 22.522 1.00 0.00 H new ATOM 0 HD3 ARG A 512 21.319 11.917 22.267 1.00 0.00 H new ATOM 0 HE ARG A 512 20.486 10.487 24.634 1.00 0.00 H new ATOM 0 HH11 ARG A 512 23.009 12.719 23.543 1.00 0.00 H new ATOM 0 HH12 ARG A 512 23.298 13.303 25.185 1.00 0.00 H new ATOM 0 HH21 ARG A 512 20.947 11.272 26.671 1.00 0.00 H new ATOM 0 HH22 ARG A 512 22.181 12.520 26.879 1.00 0.00 H new ATOM 621 N LYS A 513 15.943 10.718 22.804 1.00 0.00 N ATOM 622 CA LYS A 513 14.645 11.387 23.071 1.00 0.00 C ATOM 623 C LYS A 513 14.609 12.837 22.564 1.00 0.00 C ATOM 624 O LYS A 513 13.572 13.320 22.110 1.00 0.00 O ATOM 625 CB LYS A 513 14.338 11.353 24.586 1.00 0.00 C ATOM 626 CG LYS A 513 14.376 9.948 25.217 1.00 0.00 C ATOM 627 CD LYS A 513 13.240 9.030 24.726 1.00 0.00 C ATOM 628 CE LYS A 513 13.529 7.546 25.002 1.00 0.00 C ATOM 629 NZ LYS A 513 14.550 6.990 24.066 1.00 0.00 N ATOM 0 H LYS A 513 16.441 10.469 23.659 1.00 0.00 H new ATOM 0 HA LYS A 513 13.882 10.836 22.521 1.00 0.00 H new ATOM 0 HB2 LYS A 513 15.057 11.989 25.103 1.00 0.00 H new ATOM 0 HB3 LYS A 513 13.352 11.785 24.753 1.00 0.00 H new ATOM 0 HG2 LYS A 513 15.335 9.481 24.991 1.00 0.00 H new ATOM 0 HG3 LYS A 513 14.315 10.042 26.301 1.00 0.00 H new ATOM 0 HD2 LYS A 513 12.309 9.314 25.216 1.00 0.00 H new ATOM 0 HD3 LYS A 513 13.094 9.177 23.656 1.00 0.00 H new ATOM 0 HE2 LYS A 513 13.877 7.430 26.028 1.00 0.00 H new ATOM 0 HE3 LYS A 513 12.605 6.974 24.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 513 14.640 5.965 24.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 513 14.255 7.168 23.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 513 15.467 7.449 24.240 1.00 0.00 H new ATOM 643 N TRP A 514 15.753 13.516 22.614 1.00 0.00 N ATOM 644 CA TRP A 514 15.965 14.840 22.031 1.00 0.00 C ATOM 645 C TRP A 514 16.359 14.700 20.555 1.00 0.00 C ATOM 646 O TRP A 514 17.534 14.518 20.221 1.00 0.00 O ATOM 647 CB TRP A 514 17.009 15.601 22.855 1.00 0.00 C ATOM 648 CG TRP A 514 16.538 16.002 24.223 1.00 0.00 C ATOM 649 CD1 TRP A 514 16.569 15.228 25.330 1.00 0.00 C ATOM 650 CD2 TRP A 514 15.927 17.265 24.638 1.00 0.00 C ATOM 651 NE1 TRP A 514 16.007 15.914 26.394 1.00 0.00 N ATOM 652 CE2 TRP A 514 15.588 17.172 26.020 1.00 0.00 C ATOM 653 CE3 TRP A 514 15.629 18.480 23.984 1.00 0.00 C ATOM 654 CZ2 TRP A 514 14.964 18.223 26.713 1.00 0.00 C ATOM 655 CZ3 TRP A 514 15.014 19.545 24.670 1.00 0.00 C ATOM 656 CH2 TRP A 514 14.676 19.415 26.029 1.00 0.00 C ATOM 0 H TRP A 514 16.585 13.149 23.076 1.00 0.00 H new ATOM 0 HA TRP A 514 15.043 15.421 22.061 1.00 0.00 H new ATOM 0 HB2 TRP A 514 17.899 14.980 22.957 1.00 0.00 H new ATOM 0 HB3 TRP A 514 17.306 16.496 22.308 1.00 0.00 H new ATOM 0 HD1 TRP A 514 16.971 14.227 25.378 1.00 0.00 H new ATOM 0 HE1 TRP A 514 15.915 15.535 27.337 1.00 0.00 H new ATOM 0 HE3 TRP A 514 15.877 18.595 22.939 1.00 0.00 H new ATOM 0 HZ2 TRP A 514 14.709 18.116 27.757 1.00 0.00 H new ATOM 0 HZ3 TRP A 514 14.801 20.467 24.150 1.00 0.00 H new ATOM 0 HH2 TRP A 514 14.195 20.232 26.546 1.00 0.00 H new ATOM 667 N TRP A 515 15.362 14.723 19.668 1.00 0.00 N ATOM 668 CA TRP A 515 15.576 14.684 18.217 1.00 0.00 C ATOM 669 C TRP A 515 16.262 15.970 17.739 1.00 0.00 C ATOM 670 O TRP A 515 15.971 17.068 18.233 1.00 0.00 O ATOM 671 CB TRP A 515 14.240 14.459 17.478 1.00 0.00 C ATOM 672 CG TRP A 515 13.699 13.053 17.514 1.00 0.00 C ATOM 673 CD1 TRP A 515 13.945 12.145 18.481 1.00 0.00 C ATOM 674 CD2 TRP A 515 12.858 12.347 16.541 1.00 0.00 C ATOM 675 NE1 TRP A 515 13.354 10.932 18.180 1.00 0.00 N ATOM 676 CE2 TRP A 515 12.661 11.005 16.995 1.00 0.00 C ATOM 677 CE3 TRP A 515 12.257 12.699 15.311 1.00 0.00 C ATOM 678 CZ2 TRP A 515 11.915 10.061 16.265 1.00 0.00 C ATOM 679 CZ3 TRP A 515 11.528 11.753 14.559 1.00 0.00 C ATOM 680 CH2 TRP A 515 11.355 10.439 15.035 1.00 0.00 C ATOM 0 H TRP A 515 14.379 14.769 19.936 1.00 0.00 H new ATOM 0 HA TRP A 515 16.234 13.846 17.986 1.00 0.00 H new ATOM 0 HB2 TRP A 515 13.493 15.127 17.907 1.00 0.00 H new ATOM 0 HB3 TRP A 515 14.369 14.752 16.436 1.00 0.00 H new ATOM 0 HD1 TRP A 515 14.526 12.340 19.371 1.00 0.00 H new ATOM 0 HE1 TRP A 515 13.423 10.095 18.759 1.00 0.00 H new ATOM 0 HE3 TRP A 515 12.357 13.709 14.941 1.00 0.00 H new ATOM 0 HZ2 TRP A 515 11.775 9.060 16.646 1.00 0.00 H new ATOM 0 HZ3 TRP A 515 11.099 12.039 13.610 1.00 0.00 H new ATOM 0 HH2 TRP A 515 10.792 9.723 14.454 1.00 0.00 H new ATOM 691 N LYS A 516 17.150 15.835 16.746 1.00 0.00 N ATOM 692 CA LYS A 516 17.775 16.977 16.060 1.00 0.00 C ATOM 693 C LYS A 516 17.004 17.271 14.778 1.00 0.00 C ATOM 694 O LYS A 516 16.758 16.364 13.979 1.00 0.00 O ATOM 695 CB LYS A 516 19.266 16.705 15.770 1.00 0.00 C ATOM 696 CG LYS A 516 20.020 18.036 15.575 1.00 0.00 C ATOM 697 CD LYS A 516 21.535 17.890 15.343 1.00 0.00 C ATOM 698 CE LYS A 516 21.924 17.462 13.916 1.00 0.00 C ATOM 699 NZ LYS A 516 22.139 15.988 13.788 1.00 0.00 N ATOM 0 H LYS A 516 17.457 14.929 16.393 1.00 0.00 H new ATOM 0 HA LYS A 516 17.734 17.852 16.708 1.00 0.00 H new ATOM 0 HB2 LYS A 516 19.708 16.145 16.594 1.00 0.00 H new ATOM 0 HB3 LYS A 516 19.364 16.088 14.877 1.00 0.00 H new ATOM 0 HG2 LYS A 516 19.585 18.563 14.725 1.00 0.00 H new ATOM 0 HG3 LYS A 516 19.859 18.661 16.454 1.00 0.00 H new ATOM 0 HD2 LYS A 516 22.018 18.841 15.568 1.00 0.00 H new ATOM 0 HD3 LYS A 516 21.929 17.158 16.048 1.00 0.00 H new ATOM 0 HE2 LYS A 516 21.141 17.771 13.223 1.00 0.00 H new ATOM 0 HE3 LYS A 516 22.835 17.984 13.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 22.398 15.759 12.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 22.905 15.692 14.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 21.264 15.486 14.041 1.00 0.00 H new ATOM 713 N VAL A 517 16.658 18.537 14.572 1.00 0.00 N ATOM 714 CA VAL A 517 15.880 19.011 13.418 1.00 0.00 C ATOM 715 C VAL A 517 16.464 20.307 12.850 1.00 0.00 C ATOM 716 O VAL A 517 17.123 21.069 13.567 1.00 0.00 O ATOM 717 CB VAL A 517 14.387 19.200 13.772 1.00 0.00 C ATOM 718 CG1 VAL A 517 13.716 17.914 14.277 1.00 0.00 C ATOM 719 CG2 VAL A 517 14.143 20.293 14.821 1.00 0.00 C ATOM 0 H VAL A 517 16.914 19.286 15.215 1.00 0.00 H new ATOM 0 HA VAL A 517 15.946 18.239 12.651 1.00 0.00 H new ATOM 0 HB VAL A 517 13.940 19.499 12.824 1.00 0.00 H new ATOM 0 HG11 VAL A 517 12.670 18.116 14.508 1.00 0.00 H new ATOM 0 HG12 VAL A 517 13.776 17.145 13.506 1.00 0.00 H new ATOM 0 HG13 VAL A 517 14.225 17.567 15.176 1.00 0.00 H new ATOM 0 HG21 VAL A 517 13.075 20.372 15.022 1.00 0.00 H new ATOM 0 HG22 VAL A 517 14.668 20.037 15.742 1.00 0.00 H new ATOM 0 HG23 VAL A 517 14.513 21.247 14.445 1.00 0.00 H new ATOM 729 N ARG A 518 16.195 20.567 11.565 1.00 0.00 N ATOM 730 CA ARG A 518 16.556 21.815 10.879 1.00 0.00 C ATOM 731 C ARG A 518 15.327 22.721 10.771 1.00 0.00 C ATOM 732 O ARG A 518 14.319 22.355 10.161 1.00 0.00 O ATOM 733 CB ARG A 518 17.116 21.503 9.479 1.00 0.00 C ATOM 734 CG ARG A 518 17.939 22.677 8.916 1.00 0.00 C ATOM 735 CD ARG A 518 18.255 22.499 7.426 1.00 0.00 C ATOM 736 NE ARG A 518 19.021 21.263 7.158 1.00 0.00 N ATOM 737 CZ ARG A 518 19.173 20.678 5.982 1.00 0.00 C ATOM 738 NH1 ARG A 518 18.702 21.195 4.879 1.00 0.00 N ATOM 739 NH2 ARG A 518 19.816 19.550 5.884 1.00 0.00 N ATOM 0 H ARG A 518 15.711 19.903 10.960 1.00 0.00 H new ATOM 0 HA ARG A 518 17.324 22.331 11.454 1.00 0.00 H new ATOM 0 HB2 ARG A 518 17.741 20.612 9.528 1.00 0.00 H new ATOM 0 HB3 ARG A 518 16.293 21.278 8.801 1.00 0.00 H new ATOM 0 HG2 ARG A 518 17.389 23.607 9.061 1.00 0.00 H new ATOM 0 HG3 ARG A 518 18.870 22.767 9.475 1.00 0.00 H new ATOM 0 HD2 ARG A 518 17.324 22.477 6.860 1.00 0.00 H new ATOM 0 HD3 ARG A 518 18.823 23.359 7.072 1.00 0.00 H new ATOM 0 HE ARG A 518 19.475 20.819 7.956 1.00 0.00 H new ATOM 0 HH11 ARG A 518 18.196 22.080 4.906 1.00 0.00 H new ATOM 0 HH12 ARG A 518 18.840 20.713 3.991 1.00 0.00 H new ATOM 0 HH21 ARG A 518 20.207 19.111 6.718 1.00 0.00 H new ATOM 0 HH22 ARG A 518 19.929 19.105 4.973 1.00 0.00 H new ATOM 753 N ASP A 519 15.417 23.896 11.377 1.00 0.00 N ATOM 754 CA ASP A 519 14.454 24.994 11.214 1.00 0.00 C ATOM 755 C ASP A 519 14.567 25.702 9.840 1.00 0.00 C ATOM 756 O ASP A 519 15.621 25.646 9.194 1.00 0.00 O ATOM 757 CB ASP A 519 14.649 25.991 12.361 1.00 0.00 C ATOM 758 CG ASP A 519 16.094 26.492 12.433 1.00 0.00 C ATOM 759 OD1 ASP A 519 16.436 27.443 11.687 1.00 0.00 O ATOM 760 OD2 ASP A 519 16.868 25.915 13.222 1.00 0.00 O ATOM 0 H ASP A 519 16.180 24.126 12.014 1.00 0.00 H new ATOM 0 HA ASP A 519 13.450 24.571 11.246 1.00 0.00 H new ATOM 0 HB2 ASP A 519 13.976 26.838 12.226 1.00 0.00 H new ATOM 0 HB3 ASP A 519 14.380 25.517 13.305 1.00 0.00 H new ATOM 765 N PRO A 520 13.511 26.403 9.380 1.00 0.00 N ATOM 766 CA PRO A 520 13.504 27.101 8.089 1.00 0.00 C ATOM 767 C PRO A 520 14.393 28.356 8.027 1.00 0.00 C ATOM 768 O PRO A 520 14.639 28.869 6.932 1.00 0.00 O ATOM 769 CB PRO A 520 12.035 27.450 7.831 1.00 0.00 C ATOM 770 CG PRO A 520 11.445 27.573 9.233 1.00 0.00 C ATOM 771 CD PRO A 520 12.190 26.480 9.992 1.00 0.00 C ATOM 0 HA PRO A 520 13.933 26.454 7.324 1.00 0.00 H new ATOM 0 HB2 PRO A 520 11.936 28.380 7.271 1.00 0.00 H new ATOM 0 HB3 PRO A 520 11.534 26.674 7.252 1.00 0.00 H new ATOM 0 HG2 PRO A 520 11.620 28.559 9.663 1.00 0.00 H new ATOM 0 HG3 PRO A 520 10.367 27.410 9.237 1.00 0.00 H new ATOM 0 HD2 PRO A 520 12.264 26.721 11.053 1.00 0.00 H new ATOM 0 HD3 PRO A 520 11.668 25.526 9.917 1.00 0.00 H new ATOM 779 N ALA A 521 14.893 28.858 9.163 1.00 0.00 N ATOM 780 CA ALA A 521 15.839 29.980 9.210 1.00 0.00 C ATOM 781 C ALA A 521 17.285 29.561 8.850 1.00 0.00 C ATOM 782 O ALA A 521 18.125 30.421 8.563 1.00 0.00 O ATOM 783 CB ALA A 521 15.770 30.639 10.596 1.00 0.00 C ATOM 0 H ALA A 521 14.650 28.493 10.084 1.00 0.00 H new ATOM 0 HA ALA A 521 15.547 30.703 8.449 1.00 0.00 H new ATOM 0 HB1 ALA A 521 16.470 31.473 10.638 1.00 0.00 H new ATOM 0 HB2 ALA A 521 14.759 31.005 10.775 1.00 0.00 H new ATOM 0 HB3 ALA A 521 16.032 29.907 11.360 1.00 0.00 H new ATOM 789 N GLY A 522 17.572 28.251 8.839 1.00 0.00 N ATOM 790 CA GLY A 522 18.857 27.676 8.430 1.00 0.00 C ATOM 791 C GLY A 522 19.787 27.307 9.593 1.00 0.00 C ATOM 792 O GLY A 522 20.990 27.130 9.377 1.00 0.00 O ATOM 0 H GLY A 522 16.895 27.543 9.123 1.00 0.00 H new ATOM 0 HA2 GLY A 522 18.668 26.783 7.835 1.00 0.00 H new ATOM 0 HA3 GLY A 522 19.370 28.388 7.783 1.00 0.00 H new ATOM 796 N GLN A 523 19.256 27.207 10.816 1.00 0.00 N ATOM 797 CA GLN A 523 19.991 26.780 12.013 1.00 0.00 C ATOM 798 C GLN A 523 19.684 25.298 12.341 1.00 0.00 C ATOM 799 O GLN A 523 19.022 24.596 11.564 1.00 0.00 O ATOM 800 CB GLN A 523 19.698 27.746 13.187 1.00 0.00 C ATOM 801 CG GLN A 523 19.850 29.241 12.823 1.00 0.00 C ATOM 802 CD GLN A 523 20.658 30.047 13.843 1.00 0.00 C ATOM 803 OE1 GLN A 523 20.444 29.998 15.051 1.00 0.00 O ATOM 804 NE2 GLN A 523 21.620 30.833 13.397 1.00 0.00 N ATOM 0 H GLN A 523 18.278 27.426 11.007 1.00 0.00 H new ATOM 0 HA GLN A 523 21.064 26.831 11.826 1.00 0.00 H new ATOM 0 HB2 GLN A 523 18.683 27.571 13.544 1.00 0.00 H new ATOM 0 HB3 GLN A 523 20.371 27.513 14.012 1.00 0.00 H new ATOM 0 HG2 GLN A 523 20.331 29.321 11.848 1.00 0.00 H new ATOM 0 HG3 GLN A 523 18.859 29.684 12.727 1.00 0.00 H new ATOM 0 HE21 GLN A 523 21.812 30.887 12.397 1.00 0.00 H new ATOM 0 HE22 GLN A 523 22.171 31.387 14.053 1.00 0.00 H new ATOM 813 N GLU A 524 20.179 24.808 13.483 1.00 0.00 N ATOM 814 CA GLU A 524 19.849 23.487 14.045 1.00 0.00 C ATOM 815 C GLU A 524 19.762 23.554 15.577 1.00 0.00 C ATOM 816 O GLU A 524 20.424 24.377 16.224 1.00 0.00 O ATOM 817 CB GLU A 524 20.925 22.448 13.658 1.00 0.00 C ATOM 818 CG GLU A 524 20.686 21.758 12.305 1.00 0.00 C ATOM 819 CD GLU A 524 21.942 21.810 11.411 1.00 0.00 C ATOM 820 OE1 GLU A 524 22.888 21.002 11.643 1.00 0.00 O ATOM 821 OE2 GLU A 524 22.012 22.631 10.474 1.00 0.00 O ATOM 0 H GLU A 524 20.838 25.331 14.060 1.00 0.00 H new ATOM 0 HA GLU A 524 18.884 23.188 13.637 1.00 0.00 H new ATOM 0 HB2 GLU A 524 21.897 22.941 13.633 1.00 0.00 H new ATOM 0 HB3 GLU A 524 20.974 21.687 14.436 1.00 0.00 H new ATOM 0 HG2 GLU A 524 20.400 20.719 12.471 1.00 0.00 H new ATOM 0 HG3 GLU A 524 19.854 22.240 11.792 1.00 0.00 H new ATOM 828 N GLY A 525 18.995 22.636 16.168 1.00 0.00 N ATOM 829 CA GLY A 525 18.926 22.454 17.619 1.00 0.00 C ATOM 830 C GLY A 525 18.167 21.200 18.047 1.00 0.00 C ATOM 831 O GLY A 525 17.608 20.471 17.218 1.00 0.00 O ATOM 0 H GLY A 525 18.399 21.992 15.648 1.00 0.00 H new ATOM 0 HA2 GLY A 525 19.939 22.408 18.019 1.00 0.00 H new ATOM 0 HA3 GLY A 525 18.447 23.327 18.063 1.00 0.00 H new ATOM 835 N TYR A 526 18.149 20.961 19.360 1.00 0.00 N ATOM 836 CA TYR A 526 17.499 19.799 19.973 1.00 0.00 C ATOM 837 C TYR A 526 16.128 20.152 20.573 1.00 0.00 C ATOM 838 O TYR A 526 15.969 21.197 21.216 1.00 0.00 O ATOM 839 CB TYR A 526 18.437 19.225 21.043 1.00 0.00 C ATOM 840 CG TYR A 526 19.677 18.552 20.475 1.00 0.00 C ATOM 841 CD1 TYR A 526 19.552 17.329 19.785 1.00 0.00 C ATOM 842 CD2 TYR A 526 20.949 19.138 20.636 1.00 0.00 C ATOM 843 CE1 TYR A 526 20.694 16.698 19.251 1.00 0.00 C ATOM 844 CE2 TYR A 526 22.092 18.518 20.086 1.00 0.00 C ATOM 845 CZ TYR A 526 21.966 17.295 19.387 1.00 0.00 C ATOM 846 OH TYR A 526 23.064 16.688 18.854 1.00 0.00 O ATOM 0 H TYR A 526 18.593 21.579 20.039 1.00 0.00 H new ATOM 0 HA TYR A 526 17.311 19.052 19.202 1.00 0.00 H new ATOM 0 HB2 TYR A 526 18.745 20.029 21.712 1.00 0.00 H new ATOM 0 HB3 TYR A 526 17.887 18.502 21.646 1.00 0.00 H new ATOM 0 HD1 TYR A 526 18.580 16.875 19.665 1.00 0.00 H new ATOM 0 HD2 TYR A 526 21.050 20.064 21.182 1.00 0.00 H new ATOM 0 HE1 TYR A 526 20.595 15.754 18.736 1.00 0.00 H new ATOM 0 HE2 TYR A 526 23.063 18.978 20.199 1.00 0.00 H new ATOM 0 HH TYR A 526 23.859 17.231 19.036 1.00 0.00 H new ATOM 856 N VAL A 527 15.163 19.238 20.406 1.00 0.00 N ATOM 857 CA VAL A 527 13.788 19.310 20.945 1.00 0.00 C ATOM 858 C VAL A 527 13.243 17.913 21.287 1.00 0.00 C ATOM 859 O VAL A 527 13.662 16.937 20.663 1.00 0.00 O ATOM 860 CB VAL A 527 12.808 19.979 19.955 1.00 0.00 C ATOM 861 CG1 VAL A 527 12.915 21.502 20.009 1.00 0.00 C ATOM 862 CG2 VAL A 527 12.973 19.529 18.496 1.00 0.00 C ATOM 0 H VAL A 527 15.322 18.387 19.867 1.00 0.00 H new ATOM 0 HA VAL A 527 13.856 19.915 21.849 1.00 0.00 H new ATOM 0 HB VAL A 527 11.823 19.650 20.287 1.00 0.00 H new ATOM 0 HG11 VAL A 527 12.213 21.941 19.301 1.00 0.00 H new ATOM 0 HG12 VAL A 527 12.680 21.848 21.016 1.00 0.00 H new ATOM 0 HG13 VAL A 527 13.929 21.805 19.749 1.00 0.00 H new ATOM 0 HG21 VAL A 527 12.246 20.048 17.871 1.00 0.00 H new ATOM 0 HG22 VAL A 527 13.980 19.766 18.154 1.00 0.00 H new ATOM 0 HG23 VAL A 527 12.810 18.454 18.426 1.00 0.00 H new ATOM 872 N PRO A 528 12.309 17.775 22.246 1.00 0.00 N ATOM 873 CA PRO A 528 11.751 16.475 22.616 1.00 0.00 C ATOM 874 C PRO A 528 10.866 15.890 21.507 1.00 0.00 C ATOM 875 O PRO A 528 10.021 16.580 20.936 1.00 0.00 O ATOM 876 CB PRO A 528 10.962 16.725 23.907 1.00 0.00 C ATOM 877 CG PRO A 528 10.599 18.211 23.857 1.00 0.00 C ATOM 878 CD PRO A 528 11.753 18.836 23.078 1.00 0.00 C ATOM 0 HA PRO A 528 12.536 15.733 22.764 1.00 0.00 H new ATOM 0 HB2 PRO A 528 10.070 16.100 23.953 1.00 0.00 H new ATOM 0 HB3 PRO A 528 11.560 16.493 24.788 1.00 0.00 H new ATOM 0 HG2 PRO A 528 9.644 18.374 23.358 1.00 0.00 H new ATOM 0 HG3 PRO A 528 10.513 18.637 24.857 1.00 0.00 H new ATOM 0 HD2 PRO A 528 11.403 19.667 22.466 1.00 0.00 H new ATOM 0 HD3 PRO A 528 12.508 19.235 23.755 1.00 0.00 H new ATOM 886 N TYR A 529 10.999 14.588 21.239 1.00 0.00 N ATOM 887 CA TYR A 529 10.150 13.868 20.275 1.00 0.00 C ATOM 888 C TYR A 529 8.645 13.866 20.628 1.00 0.00 C ATOM 889 O TYR A 529 7.813 13.642 19.752 1.00 0.00 O ATOM 890 CB TYR A 529 10.656 12.425 20.104 1.00 0.00 C ATOM 891 CG TYR A 529 10.164 11.443 21.159 1.00 0.00 C ATOM 892 CD1 TYR A 529 10.692 11.477 22.465 1.00 0.00 C ATOM 893 CD2 TYR A 529 9.142 10.524 20.838 1.00 0.00 C ATOM 894 CE1 TYR A 529 10.203 10.596 23.451 1.00 0.00 C ATOM 895 CE2 TYR A 529 8.659 9.636 21.822 1.00 0.00 C ATOM 896 CZ TYR A 529 9.189 9.667 23.129 1.00 0.00 C ATOM 897 OH TYR A 529 8.718 8.807 24.074 1.00 0.00 O ATOM 0 H TYR A 529 11.701 13.997 21.685 1.00 0.00 H new ATOM 0 HA TYR A 529 10.233 14.416 19.336 1.00 0.00 H new ATOM 0 HB2 TYR A 529 10.352 12.063 19.122 1.00 0.00 H new ATOM 0 HB3 TYR A 529 11.746 12.434 20.117 1.00 0.00 H new ATOM 0 HD1 TYR A 529 11.474 12.180 22.711 1.00 0.00 H new ATOM 0 HD2 TYR A 529 8.730 10.501 19.840 1.00 0.00 H new ATOM 0 HE1 TYR A 529 10.604 10.631 24.453 1.00 0.00 H new ATOM 0 HE2 TYR A 529 7.881 8.930 21.574 1.00 0.00 H new ATOM 0 HH TYR A 529 8.023 8.239 23.682 1.00 0.00 H new ATOM 907 N ASN A 530 8.288 14.115 21.896 1.00 0.00 N ATOM 908 CA ASN A 530 6.908 14.062 22.392 1.00 0.00 C ATOM 909 C ASN A 530 6.000 15.189 21.850 1.00 0.00 C ATOM 910 O ASN A 530 4.829 14.936 21.556 1.00 0.00 O ATOM 911 CB ASN A 530 6.965 14.073 23.930 1.00 0.00 C ATOM 912 CG ASN A 530 5.603 13.818 24.558 1.00 0.00 C ATOM 913 OD1 ASN A 530 4.853 14.737 24.869 1.00 0.00 O ATOM 914 ND2 ASN A 530 5.238 12.572 24.764 1.00 0.00 N ATOM 0 H ASN A 530 8.964 14.363 22.618 1.00 0.00 H new ATOM 0 HA ASN A 530 6.446 13.146 22.024 1.00 0.00 H new ATOM 0 HB2 ASN A 530 7.668 13.313 24.271 1.00 0.00 H new ATOM 0 HB3 ASN A 530 7.346 15.036 24.271 1.00 0.00 H new ATOM 0 HD21 ASN A 530 4.330 12.369 25.183 1.00 0.00 H new ATOM 0 HD22 ASN A 530 5.862 11.808 24.505 1.00 0.00 H new ATOM 921 N ILE A 531 6.531 16.412 21.683 1.00 0.00 N ATOM 922 CA ILE A 531 5.788 17.534 21.064 1.00 0.00 C ATOM 923 C ILE A 531 5.774 17.463 19.531 1.00 0.00 C ATOM 924 O ILE A 531 4.925 18.082 18.887 1.00 0.00 O ATOM 925 CB ILE A 531 6.315 18.918 21.510 1.00 0.00 C ATOM 926 CG1 ILE A 531 7.746 19.204 20.998 1.00 0.00 C ATOM 927 CG2 ILE A 531 6.196 19.054 23.039 1.00 0.00 C ATOM 928 CD1 ILE A 531 8.297 20.579 21.379 1.00 0.00 C ATOM 0 H ILE A 531 7.480 16.654 21.969 1.00 0.00 H new ATOM 0 HA ILE A 531 4.765 17.422 21.423 1.00 0.00 H new ATOM 0 HB ILE A 531 5.690 19.684 21.050 1.00 0.00 H new ATOM 0 HG12 ILE A 531 8.417 18.438 21.387 1.00 0.00 H new ATOM 0 HG13 ILE A 531 7.754 19.112 19.912 1.00 0.00 H new ATOM 0 HG21 ILE A 531 6.569 20.031 23.348 1.00 0.00 H new ATOM 0 HG22 ILE A 531 5.151 18.955 23.333 1.00 0.00 H new ATOM 0 HG23 ILE A 531 6.784 18.273 23.521 1.00 0.00 H new ATOM 0 HD11 ILE A 531 9.304 20.691 20.978 1.00 0.00 H new ATOM 0 HD12 ILE A 531 7.653 21.356 20.966 1.00 0.00 H new ATOM 0 HD13 ILE A 531 8.326 20.671 22.465 1.00 0.00 H new ATOM 940 N LEU A 532 6.721 16.729 18.941 1.00 0.00 N ATOM 941 CA LEU A 532 6.762 16.428 17.511 1.00 0.00 C ATOM 942 C LEU A 532 5.778 15.296 17.162 1.00 0.00 C ATOM 943 O LEU A 532 5.381 14.490 18.009 1.00 0.00 O ATOM 944 CB LEU A 532 8.206 16.059 17.106 1.00 0.00 C ATOM 945 CG LEU A 532 9.262 17.153 17.372 1.00 0.00 C ATOM 946 CD1 LEU A 532 10.645 16.636 16.975 1.00 0.00 C ATOM 947 CD2 LEU A 532 8.982 18.437 16.587 1.00 0.00 C ATOM 0 H LEU A 532 7.498 16.319 19.458 1.00 0.00 H new ATOM 0 HA LEU A 532 6.454 17.310 16.949 1.00 0.00 H new ATOM 0 HB2 LEU A 532 8.498 15.156 17.643 1.00 0.00 H new ATOM 0 HB3 LEU A 532 8.218 15.816 16.044 1.00 0.00 H new ATOM 0 HG LEU A 532 9.220 17.387 18.436 1.00 0.00 H new ATOM 0 HD11 LEU A 532 11.390 17.409 17.163 1.00 0.00 H new ATOM 0 HD12 LEU A 532 10.885 15.750 17.563 1.00 0.00 H new ATOM 0 HD13 LEU A 532 10.647 16.380 15.916 1.00 0.00 H new ATOM 0 HD21 LEU A 532 9.753 19.175 16.809 1.00 0.00 H new ATOM 0 HD22 LEU A 532 8.985 18.219 15.519 1.00 0.00 H new ATOM 0 HD23 LEU A 532 8.008 18.833 16.873 1.00 0.00 H new ATOM 959 N THR A 533 5.415 15.217 15.882 1.00 0.00 N ATOM 960 CA THR A 533 4.529 14.186 15.318 1.00 0.00 C ATOM 961 C THR A 533 4.932 13.849 13.878 1.00 0.00 C ATOM 962 O THR A 533 5.628 14.641 13.239 1.00 0.00 O ATOM 963 CB THR A 533 3.041 14.625 15.350 1.00 0.00 C ATOM 964 OG1 THR A 533 2.837 16.022 15.278 1.00 0.00 O ATOM 965 CG2 THR A 533 2.344 14.167 16.632 1.00 0.00 C ATOM 0 H THR A 533 5.737 15.887 15.183 1.00 0.00 H new ATOM 0 HA THR A 533 4.638 13.298 15.941 1.00 0.00 H new ATOM 0 HB THR A 533 2.624 14.154 14.460 1.00 0.00 H new ATOM 0 HG1 THR A 533 3.378 16.395 14.551 1.00 0.00 H new ATOM 0 HG21 THR A 533 1.304 14.493 16.617 1.00 0.00 H new ATOM 0 HG22 THR A 533 2.382 13.080 16.698 1.00 0.00 H new ATOM 0 HG23 THR A 533 2.848 14.601 17.495 1.00 0.00 H new ATOM 973 N PRO A 534 4.513 12.695 13.325 1.00 0.00 N ATOM 974 CA PRO A 534 4.719 12.399 11.910 1.00 0.00 C ATOM 975 C PRO A 534 3.943 13.381 11.019 1.00 0.00 C ATOM 976 O PRO A 534 2.985 14.023 11.461 1.00 0.00 O ATOM 977 CB PRO A 534 4.249 10.951 11.729 1.00 0.00 C ATOM 978 CG PRO A 534 3.201 10.770 12.828 1.00 0.00 C ATOM 979 CD PRO A 534 3.752 11.629 13.966 1.00 0.00 C ATOM 0 HA PRO A 534 5.762 12.511 11.613 1.00 0.00 H new ATOM 0 HB2 PRO A 534 3.823 10.789 10.739 1.00 0.00 H new ATOM 0 HB3 PRO A 534 5.073 10.246 11.841 1.00 0.00 H new ATOM 0 HG2 PRO A 534 2.216 11.108 12.507 1.00 0.00 H new ATOM 0 HG3 PRO A 534 3.100 9.725 13.122 1.00 0.00 H new ATOM 0 HD2 PRO A 534 2.945 12.036 14.575 1.00 0.00 H new ATOM 0 HD3 PRO A 534 4.386 11.040 14.629 1.00 0.00 H new ATOM 987 N TYR A 535 4.326 13.455 9.743 1.00 0.00 N ATOM 988 CA TYR A 535 3.621 14.239 8.722 1.00 0.00 C ATOM 989 C TYR A 535 3.167 13.336 7.552 1.00 0.00 C ATOM 990 O TYR A 535 3.802 13.316 6.490 1.00 0.00 O ATOM 991 CB TYR A 535 4.462 15.458 8.298 1.00 0.00 C ATOM 992 CG TYR A 535 3.748 16.450 7.379 1.00 0.00 C ATOM 993 CD1 TYR A 535 2.407 16.829 7.619 1.00 0.00 C ATOM 994 CD2 TYR A 535 4.437 17.003 6.278 1.00 0.00 C ATOM 995 CE1 TYR A 535 1.750 17.713 6.742 1.00 0.00 C ATOM 996 CE2 TYR A 535 3.790 17.908 5.413 1.00 0.00 C ATOM 997 CZ TYR A 535 2.440 18.259 5.640 1.00 0.00 C ATOM 998 OH TYR A 535 1.802 19.123 4.804 1.00 0.00 O ATOM 0 H TYR A 535 5.146 12.966 9.383 1.00 0.00 H new ATOM 0 HA TYR A 535 2.703 14.649 9.143 1.00 0.00 H new ATOM 0 HB2 TYR A 535 4.786 15.986 9.195 1.00 0.00 H new ATOM 0 HB3 TYR A 535 5.361 15.102 7.795 1.00 0.00 H new ATOM 0 HD1 TYR A 535 1.884 16.438 8.479 1.00 0.00 H new ATOM 0 HD2 TYR A 535 5.466 16.731 6.097 1.00 0.00 H new ATOM 0 HE1 TYR A 535 0.716 17.973 6.914 1.00 0.00 H new ATOM 0 HE2 TYR A 535 4.326 18.333 4.577 1.00 0.00 H new ATOM 0 HH TYR A 535 2.417 19.408 4.097 1.00 0.00 H new