USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=9 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= 0.437 K(o=0.91,f=-0.72) USER MOD Set 1.2: A 533 THR OG1 : rot -121:sc= 0.473 USER MOD Single : A 485 CYS SG : rot 11:sc= 0.0199 USER MOD Single : A 487 TYR OH : rot 180:sc= 0 USER MOD Single : A 490 GLN : amide:sc= 0.413 X(o=0.41,f=0) USER MOD Single : A 495 SER OG : rot 29:sc= 0.114 USER MOD Single : A 498 SER OG : rot 38:sc= 0.058 USER MOD Single : A 500 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 501 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 511 SER OG : rot 180:sc= 0 USER MOD Single : A 513 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 10.170 14.455 6.825 1.00 0.00 N ATOM 118 CA TRP A 482 9.885 15.645 7.639 1.00 0.00 C ATOM 119 C TRP A 482 9.009 15.328 8.868 1.00 0.00 C ATOM 120 O TRP A 482 8.334 14.296 8.922 1.00 0.00 O ATOM 121 CB TRP A 482 9.216 16.714 6.759 1.00 0.00 C ATOM 122 CG TRP A 482 10.053 17.240 5.629 1.00 0.00 C ATOM 123 CD1 TRP A 482 10.302 16.600 4.463 1.00 0.00 C ATOM 124 CD2 TRP A 482 10.752 18.520 5.527 1.00 0.00 C ATOM 125 NE1 TRP A 482 11.100 17.384 3.655 1.00 0.00 N ATOM 126 CE2 TRP A 482 11.414 18.580 4.262 1.00 0.00 C ATOM 127 CE3 TRP A 482 10.892 19.643 6.369 1.00 0.00 C ATOM 128 CZ2 TRP A 482 12.173 19.687 3.860 1.00 0.00 C ATOM 129 CZ3 TRP A 482 11.649 20.764 5.979 1.00 0.00 C ATOM 130 CH2 TRP A 482 12.292 20.788 4.727 1.00 0.00 C ATOM 0 HA TRP A 482 10.833 16.020 8.025 1.00 0.00 H new ATOM 0 HB2 TRP A 482 8.299 16.296 6.344 1.00 0.00 H new ATOM 0 HB3 TRP A 482 8.926 17.552 7.393 1.00 0.00 H new ATOM 0 HD1 TRP A 482 9.931 15.620 4.203 1.00 0.00 H new ATOM 0 HE1 TRP A 482 11.418 17.112 2.725 1.00 0.00 H new ATOM 0 HE3 TRP A 482 10.408 19.643 7.334 1.00 0.00 H new ATOM 0 HZ2 TRP A 482 12.661 19.695 2.896 1.00 0.00 H new ATOM 0 HZ3 TRP A 482 11.737 21.610 6.644 1.00 0.00 H new ATOM 0 HH2 TRP A 482 12.875 21.649 4.433 1.00 0.00 H new ATOM 141 N VAL A 483 8.979 16.252 9.831 1.00 0.00 N ATOM 142 CA VAL A 483 8.127 16.196 11.027 1.00 0.00 C ATOM 143 C VAL A 483 7.405 17.532 11.230 1.00 0.00 C ATOM 144 O VAL A 483 8.016 18.605 11.238 1.00 0.00 O ATOM 145 CB VAL A 483 8.900 15.762 12.293 1.00 0.00 C ATOM 146 CG1 VAL A 483 9.336 14.294 12.202 1.00 0.00 C ATOM 147 CG2 VAL A 483 10.166 16.587 12.588 1.00 0.00 C ATOM 0 H VAL A 483 9.564 17.087 9.802 1.00 0.00 H new ATOM 0 HA VAL A 483 7.378 15.422 10.858 1.00 0.00 H new ATOM 0 HB VAL A 483 8.187 15.927 13.101 1.00 0.00 H new ATOM 0 HG11 VAL A 483 9.877 14.018 13.107 1.00 0.00 H new ATOM 0 HG12 VAL A 483 8.456 13.659 12.098 1.00 0.00 H new ATOM 0 HG13 VAL A 483 9.985 14.160 11.336 1.00 0.00 H new ATOM 0 HG21 VAL A 483 10.642 16.211 13.494 1.00 0.00 H new ATOM 0 HG22 VAL A 483 10.859 16.502 11.751 1.00 0.00 H new ATOM 0 HG23 VAL A 483 9.894 17.633 12.728 1.00 0.00 H new ATOM 157 N LEU A 484 6.077 17.470 11.344 1.00 0.00 N ATOM 158 CA LEU A 484 5.232 18.612 11.710 1.00 0.00 C ATOM 159 C LEU A 484 5.215 18.720 13.247 1.00 0.00 C ATOM 160 O LEU A 484 5.386 17.728 13.958 1.00 0.00 O ATOM 161 CB LEU A 484 3.826 18.411 11.093 1.00 0.00 C ATOM 162 CG LEU A 484 3.076 19.689 10.640 1.00 0.00 C ATOM 163 CD1 LEU A 484 1.975 19.304 9.645 1.00 0.00 C ATOM 164 CD2 LEU A 484 2.390 20.444 11.774 1.00 0.00 C ATOM 0 H LEU A 484 5.549 16.613 11.182 1.00 0.00 H new ATOM 0 HA LEU A 484 5.617 19.553 11.318 1.00 0.00 H new ATOM 0 HB2 LEU A 484 3.924 17.750 10.232 1.00 0.00 H new ATOM 0 HB3 LEU A 484 3.205 17.893 11.823 1.00 0.00 H new ATOM 0 HG LEU A 484 3.839 20.337 10.209 1.00 0.00 H new ATOM 0 HD11 LEU A 484 1.445 20.201 9.324 1.00 0.00 H new ATOM 0 HD12 LEU A 484 2.422 18.817 8.778 1.00 0.00 H new ATOM 0 HD13 LEU A 484 1.274 18.620 10.124 1.00 0.00 H new ATOM 0 HD21 LEU A 484 1.888 21.325 11.373 1.00 0.00 H new ATOM 0 HD22 LEU A 484 1.657 19.795 12.252 1.00 0.00 H new ATOM 0 HD23 LEU A 484 3.134 20.753 12.508 1.00 0.00 H new ATOM 176 N CYS A 485 5.024 19.921 13.777 1.00 0.00 N ATOM 177 CA CYS A 485 4.902 20.152 15.215 1.00 0.00 C ATOM 178 C CYS A 485 3.422 20.167 15.646 1.00 0.00 C ATOM 179 O CYS A 485 2.577 20.729 14.948 1.00 0.00 O ATOM 180 CB CYS A 485 5.574 21.492 15.496 1.00 0.00 C ATOM 181 SG CYS A 485 5.973 21.636 17.251 1.00 0.00 S ATOM 0 H CYS A 485 4.948 20.771 13.218 1.00 0.00 H new ATOM 0 HA CYS A 485 5.379 19.354 15.784 1.00 0.00 H new ATOM 0 HB2 CYS A 485 6.483 21.583 14.901 1.00 0.00 H new ATOM 0 HB3 CYS A 485 4.915 22.307 15.198 1.00 0.00 H new ATOM 0 HG CYS A 485 5.800 20.486 17.831 1.00 0.00 H new ATOM 187 N ASN A 486 3.095 19.610 16.815 1.00 0.00 N ATOM 188 CA ASN A 486 1.727 19.620 17.359 1.00 0.00 C ATOM 189 C ASN A 486 1.568 20.547 18.582 1.00 0.00 C ATOM 190 O ASN A 486 0.438 20.908 18.923 1.00 0.00 O ATOM 191 CB ASN A 486 1.282 18.177 17.668 1.00 0.00 C ATOM 192 CG ASN A 486 0.766 17.424 16.447 1.00 0.00 C ATOM 193 OD1 ASN A 486 1.284 17.510 15.340 1.00 0.00 O ATOM 194 ND2 ASN A 486 -0.280 16.644 16.614 1.00 0.00 N ATOM 0 H ASN A 486 3.771 19.137 17.415 1.00 0.00 H new ATOM 0 HA ASN A 486 1.070 20.038 16.597 1.00 0.00 H new ATOM 0 HB2 ASN A 486 2.123 17.629 18.094 1.00 0.00 H new ATOM 0 HB3 ASN A 486 0.500 18.201 18.427 1.00 0.00 H new ATOM 0 HD21 ASN A 486 -0.654 16.116 15.825 1.00 0.00 H new ATOM 0 HD22 ASN A 486 -0.717 16.567 17.532 1.00 0.00 H new ATOM 201 N TYR A 487 2.674 20.965 19.210 1.00 0.00 N ATOM 202 CA TYR A 487 2.695 21.791 20.424 1.00 0.00 C ATOM 203 C TYR A 487 3.964 22.662 20.446 1.00 0.00 C ATOM 204 O TYR A 487 5.072 22.143 20.323 1.00 0.00 O ATOM 205 CB TYR A 487 2.669 20.880 21.669 1.00 0.00 C ATOM 206 CG TYR A 487 1.548 19.853 21.718 1.00 0.00 C ATOM 207 CD1 TYR A 487 0.292 20.199 22.253 1.00 0.00 C ATOM 208 CD2 TYR A 487 1.755 18.556 21.200 1.00 0.00 C ATOM 209 CE1 TYR A 487 -0.757 19.258 22.260 1.00 0.00 C ATOM 210 CE2 TYR A 487 0.710 17.611 21.207 1.00 0.00 C ATOM 211 CZ TYR A 487 -0.552 17.964 21.734 1.00 0.00 C ATOM 212 OH TYR A 487 -1.573 17.065 21.730 1.00 0.00 O ATOM 0 H TYR A 487 3.609 20.730 18.877 1.00 0.00 H new ATOM 0 HA TYR A 487 1.819 22.439 20.430 1.00 0.00 H new ATOM 0 HB2 TYR A 487 3.621 20.353 21.729 1.00 0.00 H new ATOM 0 HB3 TYR A 487 2.597 21.511 22.555 1.00 0.00 H new ATOM 0 HD1 TYR A 487 0.132 21.187 22.659 1.00 0.00 H new ATOM 0 HD2 TYR A 487 2.720 18.287 20.796 1.00 0.00 H new ATOM 0 HE1 TYR A 487 -1.720 19.527 22.669 1.00 0.00 H new ATOM 0 HE2 TYR A 487 0.873 16.620 20.811 1.00 0.00 H new ATOM 0 HH TYR A 487 -1.266 16.223 21.333 1.00 0.00 H new ATOM 222 N ASP A 488 3.825 23.984 20.596 1.00 0.00 N ATOM 223 CA ASP A 488 4.980 24.889 20.719 1.00 0.00 C ATOM 224 C ASP A 488 5.862 24.569 21.950 1.00 0.00 C ATOM 225 O ASP A 488 5.382 24.046 22.964 1.00 0.00 O ATOM 226 CB ASP A 488 4.519 26.354 20.741 1.00 0.00 C ATOM 227 CG ASP A 488 3.898 26.773 22.084 1.00 0.00 C ATOM 228 OD1 ASP A 488 2.692 26.510 22.307 1.00 0.00 O ATOM 229 OD2 ASP A 488 4.610 27.401 22.906 1.00 0.00 O ATOM 0 H ASP A 488 2.921 24.455 20.636 1.00 0.00 H new ATOM 0 HA ASP A 488 5.603 24.729 19.839 1.00 0.00 H new ATOM 0 HB2 ASP A 488 5.370 26.999 20.525 1.00 0.00 H new ATOM 0 HB3 ASP A 488 3.790 26.511 19.946 1.00 0.00 H new ATOM 234 N PHE A 489 7.151 24.917 21.874 1.00 0.00 N ATOM 235 CA PHE A 489 8.130 24.699 22.946 1.00 0.00 C ATOM 236 C PHE A 489 9.238 25.753 22.873 1.00 0.00 C ATOM 237 O PHE A 489 10.037 25.757 21.937 1.00 0.00 O ATOM 238 CB PHE A 489 8.700 23.277 22.830 1.00 0.00 C ATOM 239 CG PHE A 489 9.795 22.914 23.820 1.00 0.00 C ATOM 240 CD1 PHE A 489 9.473 22.628 25.162 1.00 0.00 C ATOM 241 CD2 PHE A 489 11.135 22.826 23.393 1.00 0.00 C ATOM 242 CE1 PHE A 489 10.485 22.251 26.066 1.00 0.00 C ATOM 243 CE2 PHE A 489 12.138 22.414 24.290 1.00 0.00 C ATOM 244 CZ PHE A 489 11.816 22.137 25.629 1.00 0.00 C ATOM 0 H PHE A 489 7.551 25.367 21.050 1.00 0.00 H new ATOM 0 HA PHE A 489 7.644 24.800 23.916 1.00 0.00 H new ATOM 0 HB2 PHE A 489 7.881 22.568 22.949 1.00 0.00 H new ATOM 0 HB3 PHE A 489 9.092 23.145 21.821 1.00 0.00 H new ATOM 0 HD1 PHE A 489 8.449 22.698 25.498 1.00 0.00 H new ATOM 0 HD2 PHE A 489 11.393 23.075 22.374 1.00 0.00 H new ATOM 0 HE1 PHE A 489 10.238 22.049 27.098 1.00 0.00 H new ATOM 0 HE2 PHE A 489 13.157 22.311 23.948 1.00 0.00 H new ATOM 0 HZ PHE A 489 12.589 21.837 26.321 1.00 0.00 H new ATOM 254 N GLN A 490 9.272 26.664 23.849 1.00 0.00 N ATOM 255 CA GLN A 490 10.336 27.661 24.006 1.00 0.00 C ATOM 256 C GLN A 490 11.633 27.025 24.550 1.00 0.00 C ATOM 257 O GLN A 490 11.639 26.405 25.617 1.00 0.00 O ATOM 258 CB GLN A 490 9.837 28.831 24.876 1.00 0.00 C ATOM 259 CG GLN A 490 9.349 28.449 26.288 1.00 0.00 C ATOM 260 CD GLN A 490 10.206 29.058 27.396 1.00 0.00 C ATOM 261 OE1 GLN A 490 9.907 30.110 27.950 1.00 0.00 O ATOM 262 NE2 GLN A 490 11.304 28.428 27.760 1.00 0.00 N ATOM 0 H GLN A 490 8.549 26.731 24.565 1.00 0.00 H new ATOM 0 HA GLN A 490 10.589 28.064 23.025 1.00 0.00 H new ATOM 0 HB2 GLN A 490 10.644 29.558 24.974 1.00 0.00 H new ATOM 0 HB3 GLN A 490 9.022 29.329 24.351 1.00 0.00 H new ATOM 0 HG2 GLN A 490 8.317 28.777 26.412 1.00 0.00 H new ATOM 0 HG3 GLN A 490 9.353 27.364 26.387 1.00 0.00 H new ATOM 0 HE21 GLN A 490 11.563 27.552 27.307 1.00 0.00 H new ATOM 0 HE22 GLN A 490 11.895 28.816 28.495 1.00 0.00 H new ATOM 271 N ALA A 491 12.736 27.193 23.816 1.00 0.00 N ATOM 272 CA ALA A 491 14.033 26.577 24.108 1.00 0.00 C ATOM 273 C ALA A 491 15.201 27.420 23.568 1.00 0.00 C ATOM 274 O ALA A 491 15.315 27.628 22.359 1.00 0.00 O ATOM 275 CB ALA A 491 14.066 25.175 23.507 1.00 0.00 C ATOM 0 H ALA A 491 12.752 27.777 22.980 1.00 0.00 H new ATOM 0 HA ALA A 491 14.152 26.520 25.190 1.00 0.00 H new ATOM 0 HB1 ALA A 491 15.029 24.710 23.720 1.00 0.00 H new ATOM 0 HB2 ALA A 491 13.268 24.574 23.943 1.00 0.00 H new ATOM 0 HB3 ALA A 491 13.925 25.238 22.428 1.00 0.00 H new ATOM 330 N SER A 495 22.143 24.802 23.302 1.00 0.00 N ATOM 331 CA SER A 495 22.114 23.991 22.061 1.00 0.00 C ATOM 332 C SER A 495 20.690 23.521 21.703 1.00 0.00 C ATOM 333 O SER A 495 20.487 22.603 20.904 1.00 0.00 O ATOM 334 CB SER A 495 23.065 22.789 22.187 1.00 0.00 C ATOM 335 OG SER A 495 24.376 23.186 22.572 1.00 0.00 O ATOM 0 HA SER A 495 22.453 24.631 21.246 1.00 0.00 H new ATOM 0 HB2 SER A 495 22.668 22.088 22.921 1.00 0.00 H new ATOM 0 HB3 SER A 495 23.111 22.261 21.234 1.00 0.00 H new ATOM 0 HG SER A 495 24.326 24.010 23.100 1.00 0.00 H new ATOM 341 N GLU A 496 19.686 24.157 22.309 1.00 0.00 N ATOM 342 CA GLU A 496 18.255 23.943 22.081 1.00 0.00 C ATOM 343 C GLU A 496 17.680 25.090 21.227 1.00 0.00 C ATOM 344 O GLU A 496 18.269 26.175 21.154 1.00 0.00 O ATOM 345 CB GLU A 496 17.551 23.889 23.444 1.00 0.00 C ATOM 346 CG GLU A 496 17.872 22.617 24.242 1.00 0.00 C ATOM 347 CD GLU A 496 17.377 22.673 25.704 1.00 0.00 C ATOM 348 OE1 GLU A 496 16.308 23.267 25.987 1.00 0.00 O ATOM 349 OE2 GLU A 496 18.071 22.117 26.591 1.00 0.00 O ATOM 0 H GLU A 496 19.859 24.876 23.012 1.00 0.00 H new ATOM 0 HA GLU A 496 18.096 23.007 21.545 1.00 0.00 H new ATOM 0 HB2 GLU A 496 17.842 24.761 24.030 1.00 0.00 H new ATOM 0 HB3 GLU A 496 16.474 23.952 23.292 1.00 0.00 H new ATOM 0 HG2 GLU A 496 17.418 21.760 23.744 1.00 0.00 H new ATOM 0 HG3 GLU A 496 18.950 22.455 24.236 1.00 0.00 H new ATOM 356 N LEU A 497 16.527 24.863 20.586 1.00 0.00 N ATOM 357 CA LEU A 497 15.889 25.844 19.698 1.00 0.00 C ATOM 358 C LEU A 497 14.358 25.790 19.782 1.00 0.00 C ATOM 359 O LEU A 497 13.756 24.715 19.744 1.00 0.00 O ATOM 360 CB LEU A 497 16.401 25.599 18.267 1.00 0.00 C ATOM 361 CG LEU A 497 15.946 26.687 17.275 1.00 0.00 C ATOM 362 CD1 LEU A 497 17.104 27.096 16.371 1.00 0.00 C ATOM 363 CD2 LEU A 497 14.771 26.215 16.420 1.00 0.00 C ATOM 0 H LEU A 497 16.007 23.989 20.669 1.00 0.00 H new ATOM 0 HA LEU A 497 16.159 26.852 20.014 1.00 0.00 H new ATOM 0 HB2 LEU A 497 17.490 25.557 18.278 1.00 0.00 H new ATOM 0 HB3 LEU A 497 16.048 24.628 17.921 1.00 0.00 H new ATOM 0 HG LEU A 497 15.617 27.546 17.860 1.00 0.00 H new ATOM 0 HD11 LEU A 497 16.768 27.865 15.675 1.00 0.00 H new ATOM 0 HD12 LEU A 497 17.920 27.488 16.979 1.00 0.00 H new ATOM 0 HD13 LEU A 497 17.453 26.228 15.812 1.00 0.00 H new ATOM 0 HD21 LEU A 497 14.479 27.009 15.733 1.00 0.00 H new ATOM 0 HD22 LEU A 497 15.066 25.333 15.851 1.00 0.00 H new ATOM 0 HD23 LEU A 497 13.929 25.965 17.065 1.00 0.00 H new ATOM 375 N SER A 498 13.730 26.963 19.895 1.00 0.00 N ATOM 376 CA SER A 498 12.282 27.107 20.053 1.00 0.00 C ATOM 377 C SER A 498 11.505 26.717 18.789 1.00 0.00 C ATOM 378 O SER A 498 11.772 27.251 17.710 1.00 0.00 O ATOM 379 CB SER A 498 11.928 28.548 20.457 1.00 0.00 C ATOM 380 OG SER A 498 12.462 29.505 19.555 1.00 0.00 O ATOM 0 H SER A 498 14.224 27.855 19.879 1.00 0.00 H new ATOM 0 HA SER A 498 11.984 26.417 20.843 1.00 0.00 H new ATOM 0 HB2 SER A 498 10.844 28.656 20.499 1.00 0.00 H new ATOM 0 HB3 SER A 498 12.307 28.746 21.460 1.00 0.00 H new ATOM 0 HG SER A 498 12.412 29.156 18.641 1.00 0.00 H new ATOM 386 N VAL A 499 10.490 25.857 18.934 1.00 0.00 N ATOM 387 CA VAL A 499 9.604 25.422 17.835 1.00 0.00 C ATOM 388 C VAL A 499 8.169 25.915 18.045 1.00 0.00 C ATOM 389 O VAL A 499 7.745 26.186 19.173 1.00 0.00 O ATOM 390 CB VAL A 499 9.640 23.892 17.613 1.00 0.00 C ATOM 391 CG1 VAL A 499 11.045 23.410 17.232 1.00 0.00 C ATOM 392 CG2 VAL A 499 9.149 23.083 18.819 1.00 0.00 C ATOM 0 H VAL A 499 10.253 25.434 19.831 1.00 0.00 H new ATOM 0 HA VAL A 499 9.991 25.882 16.926 1.00 0.00 H new ATOM 0 HB VAL A 499 8.948 23.714 16.790 1.00 0.00 H new ATOM 0 HG11 VAL A 499 11.032 22.330 17.084 1.00 0.00 H new ATOM 0 HG12 VAL A 499 11.360 23.899 16.310 1.00 0.00 H new ATOM 0 HG13 VAL A 499 11.744 23.658 18.031 1.00 0.00 H new ATOM 0 HG21 VAL A 499 9.203 22.019 18.590 1.00 0.00 H new ATOM 0 HG22 VAL A 499 9.777 23.300 19.683 1.00 0.00 H new ATOM 0 HG23 VAL A 499 8.117 23.354 19.043 1.00 0.00 H new ATOM 402 N LYS A 500 7.407 26.007 16.950 1.00 0.00 N ATOM 403 CA LYS A 500 6.014 26.496 16.906 1.00 0.00 C ATOM 404 C LYS A 500 5.093 25.403 16.367 1.00 0.00 C ATOM 405 O LYS A 500 5.539 24.520 15.646 1.00 0.00 O ATOM 406 CB LYS A 500 5.905 27.731 15.984 1.00 0.00 C ATOM 407 CG LYS A 500 6.906 28.878 16.202 1.00 0.00 C ATOM 408 CD LYS A 500 6.483 29.940 17.225 1.00 0.00 C ATOM 409 CE LYS A 500 6.536 29.444 18.674 1.00 0.00 C ATOM 410 NZ LYS A 500 6.200 30.542 19.623 1.00 0.00 N ATOM 0 H LYS A 500 7.753 25.733 16.030 1.00 0.00 H new ATOM 0 HA LYS A 500 5.717 26.768 17.919 1.00 0.00 H new ATOM 0 HB2 LYS A 500 6.005 27.390 14.954 1.00 0.00 H new ATOM 0 HB3 LYS A 500 4.900 28.139 16.088 1.00 0.00 H new ATOM 0 HG2 LYS A 500 7.857 28.451 16.520 1.00 0.00 H new ATOM 0 HG3 LYS A 500 7.082 29.370 15.245 1.00 0.00 H new ATOM 0 HD2 LYS A 500 7.131 30.811 17.123 1.00 0.00 H new ATOM 0 HD3 LYS A 500 5.469 30.269 16.998 1.00 0.00 H new ATOM 0 HE2 LYS A 500 5.838 28.617 18.806 1.00 0.00 H new ATOM 0 HE3 LYS A 500 7.531 29.059 18.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 500 6.242 30.183 20.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 500 6.882 31.319 19.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 500 5.241 30.891 19.424 1.00 0.00 H new ATOM 424 N GLN A 501 3.795 25.513 16.634 1.00 0.00 N ATOM 425 CA GLN A 501 2.760 24.560 16.180 1.00 0.00 C ATOM 426 C GLN A 501 2.601 24.483 14.641 1.00 0.00 C ATOM 427 O GLN A 501 2.055 23.516 14.113 1.00 0.00 O ATOM 428 CB GLN A 501 1.437 24.957 16.862 1.00 0.00 C ATOM 429 CG GLN A 501 0.301 23.932 16.703 1.00 0.00 C ATOM 430 CD GLN A 501 -1.010 24.462 17.278 1.00 0.00 C ATOM 431 OE1 GLN A 501 -1.244 24.466 18.480 1.00 0.00 O ATOM 432 NE2 GLN A 501 -1.912 24.944 16.446 1.00 0.00 N ATOM 0 H GLN A 501 3.414 26.282 17.185 1.00 0.00 H new ATOM 0 HA GLN A 501 3.068 23.555 16.467 1.00 0.00 H new ATOM 0 HB2 GLN A 501 1.623 25.111 17.925 1.00 0.00 H new ATOM 0 HB3 GLN A 501 1.106 25.912 16.455 1.00 0.00 H new ATOM 0 HG2 GLN A 501 0.168 23.695 15.648 1.00 0.00 H new ATOM 0 HG3 GLN A 501 0.573 23.004 17.207 1.00 0.00 H new ATOM 0 HE21 GLN A 501 -1.730 24.947 15.442 1.00 0.00 H new ATOM 0 HE22 GLN A 501 -2.792 25.314 16.806 1.00 0.00 H new ATOM 441 N ARG A 502 3.093 25.485 13.903 1.00 0.00 N ATOM 442 CA ARG A 502 2.986 25.594 12.430 1.00 0.00 C ATOM 443 C ARG A 502 4.363 25.689 11.761 1.00 0.00 C ATOM 444 O ARG A 502 4.489 26.117 10.613 1.00 0.00 O ATOM 445 CB ARG A 502 2.064 26.783 12.074 1.00 0.00 C ATOM 446 CG ARG A 502 0.665 26.736 12.721 1.00 0.00 C ATOM 447 CD ARG A 502 -0.207 25.563 12.250 1.00 0.00 C ATOM 448 NE ARG A 502 -0.702 25.767 10.873 1.00 0.00 N ATOM 449 CZ ARG A 502 -1.551 24.992 10.219 1.00 0.00 C ATOM 450 NH1 ARG A 502 -1.999 23.873 10.716 1.00 0.00 N ATOM 451 NH2 ARG A 502 -1.975 25.337 9.037 1.00 0.00 N ATOM 0 H ARG A 502 3.593 26.270 14.320 1.00 0.00 H new ATOM 0 HA ARG A 502 2.536 24.683 12.035 1.00 0.00 H new ATOM 0 HB2 ARG A 502 2.556 27.708 12.374 1.00 0.00 H new ATOM 0 HB3 ARG A 502 1.946 26.821 10.991 1.00 0.00 H new ATOM 0 HG2 ARG A 502 0.779 26.677 13.803 1.00 0.00 H new ATOM 0 HG3 ARG A 502 0.146 27.670 12.505 1.00 0.00 H new ATOM 0 HD2 ARG A 502 0.370 24.639 12.296 1.00 0.00 H new ATOM 0 HD3 ARG A 502 -1.053 25.444 12.927 1.00 0.00 H new ATOM 0 HE ARG A 502 -0.354 26.588 10.377 1.00 0.00 H new ATOM 0 HH11 ARG A 502 -1.695 23.568 11.641 1.00 0.00 H new ATOM 0 HH12 ARG A 502 -2.653 23.303 10.180 1.00 0.00 H new ATOM 0 HH21 ARG A 502 -1.652 26.207 8.613 1.00 0.00 H new ATOM 0 HH22 ARG A 502 -2.630 24.737 8.535 1.00 0.00 H new ATOM 465 N ASP A 503 5.397 25.274 12.491 1.00 0.00 N ATOM 466 CA ASP A 503 6.777 25.170 12.028 1.00 0.00 C ATOM 467 C ASP A 503 7.060 23.718 11.599 1.00 0.00 C ATOM 468 O ASP A 503 7.039 22.799 12.420 1.00 0.00 O ATOM 469 CB ASP A 503 7.691 25.651 13.166 1.00 0.00 C ATOM 470 CG ASP A 503 9.188 25.628 12.839 1.00 0.00 C ATOM 471 OD1 ASP A 503 9.553 25.612 11.642 1.00 0.00 O ATOM 472 OD2 ASP A 503 9.993 25.693 13.799 1.00 0.00 O ATOM 0 H ASP A 503 5.289 24.989 13.464 1.00 0.00 H new ATOM 0 HA ASP A 503 6.964 25.795 11.155 1.00 0.00 H new ATOM 0 HB2 ASP A 503 7.408 26.668 13.436 1.00 0.00 H new ATOM 0 HB3 ASP A 503 7.515 25.028 14.043 1.00 0.00 H new ATOM 477 N VAL A 504 7.259 23.504 10.294 1.00 0.00 N ATOM 478 CA VAL A 504 7.663 22.216 9.703 1.00 0.00 C ATOM 479 C VAL A 504 9.194 22.116 9.660 1.00 0.00 C ATOM 480 O VAL A 504 9.869 23.039 9.194 1.00 0.00 O ATOM 481 CB VAL A 504 7.025 22.031 8.306 1.00 0.00 C ATOM 482 CG1 VAL A 504 7.289 23.167 7.301 1.00 0.00 C ATOM 483 CG2 VAL A 504 7.477 20.721 7.656 1.00 0.00 C ATOM 0 H VAL A 504 7.141 24.240 9.597 1.00 0.00 H new ATOM 0 HA VAL A 504 7.296 21.402 10.329 1.00 0.00 H new ATOM 0 HB VAL A 504 5.956 22.029 8.518 1.00 0.00 H new ATOM 0 HG11 VAL A 504 6.798 22.938 6.355 1.00 0.00 H new ATOM 0 HG12 VAL A 504 6.894 24.103 7.697 1.00 0.00 H new ATOM 0 HG13 VAL A 504 8.362 23.266 7.138 1.00 0.00 H new ATOM 0 HG21 VAL A 504 7.011 20.621 6.676 1.00 0.00 H new ATOM 0 HG22 VAL A 504 8.561 20.726 7.543 1.00 0.00 H new ATOM 0 HG23 VAL A 504 7.181 19.882 8.285 1.00 0.00 H new ATOM 493 N LEU A 505 9.750 20.994 10.135 1.00 0.00 N ATOM 494 CA LEU A 505 11.198 20.783 10.247 1.00 0.00 C ATOM 495 C LEU A 505 11.616 19.407 9.705 1.00 0.00 C ATOM 496 O LEU A 505 10.822 18.465 9.665 1.00 0.00 O ATOM 497 CB LEU A 505 11.682 20.949 11.706 1.00 0.00 C ATOM 498 CG LEU A 505 11.167 22.190 12.468 1.00 0.00 C ATOM 499 CD1 LEU A 505 9.973 21.823 13.356 1.00 0.00 C ATOM 500 CD2 LEU A 505 12.230 22.783 13.395 1.00 0.00 C ATOM 0 H LEU A 505 9.199 20.198 10.456 1.00 0.00 H new ATOM 0 HA LEU A 505 11.675 21.549 9.635 1.00 0.00 H new ATOM 0 HB2 LEU A 505 11.390 20.060 12.265 1.00 0.00 H new ATOM 0 HB3 LEU A 505 12.772 20.979 11.702 1.00 0.00 H new ATOM 0 HG LEU A 505 10.891 22.915 11.702 1.00 0.00 H new ATOM 0 HD11 LEU A 505 9.626 22.711 13.884 1.00 0.00 H new ATOM 0 HD12 LEU A 505 9.166 21.430 12.737 1.00 0.00 H new ATOM 0 HD13 LEU A 505 10.277 21.066 14.080 1.00 0.00 H new ATOM 0 HD21 LEU A 505 11.821 23.653 13.908 1.00 0.00 H new ATOM 0 HD22 LEU A 505 12.530 22.036 14.130 1.00 0.00 H new ATOM 0 HD23 LEU A 505 13.098 23.083 12.808 1.00 0.00 H new ATOM 512 N GLU A 506 12.879 19.275 9.303 1.00 0.00 N ATOM 513 CA GLU A 506 13.451 18.007 8.829 1.00 0.00 C ATOM 514 C GLU A 506 14.280 17.370 9.954 1.00 0.00 C ATOM 515 O GLU A 506 15.191 18.006 10.487 1.00 0.00 O ATOM 516 CB GLU A 506 14.296 18.252 7.567 1.00 0.00 C ATOM 517 CG GLU A 506 14.732 16.927 6.921 1.00 0.00 C ATOM 518 CD GLU A 506 15.586 17.099 5.644 1.00 0.00 C ATOM 519 OE1 GLU A 506 15.672 18.212 5.069 1.00 0.00 O ATOM 520 OE2 GLU A 506 16.190 16.092 5.197 1.00 0.00 O ATOM 0 H GLU A 506 13.543 20.049 9.295 1.00 0.00 H new ATOM 0 HA GLU A 506 12.653 17.314 8.561 1.00 0.00 H new ATOM 0 HB2 GLU A 506 13.721 18.837 6.849 1.00 0.00 H new ATOM 0 HB3 GLU A 506 15.177 18.840 7.825 1.00 0.00 H new ATOM 0 HG2 GLU A 506 15.300 16.349 7.650 1.00 0.00 H new ATOM 0 HG3 GLU A 506 13.844 16.345 6.676 1.00 0.00 H new ATOM 527 N VAL A 507 13.955 16.127 10.336 1.00 0.00 N ATOM 528 CA VAL A 507 14.732 15.349 11.318 1.00 0.00 C ATOM 529 C VAL A 507 16.130 14.996 10.789 1.00 0.00 C ATOM 530 O VAL A 507 16.307 14.640 9.621 1.00 0.00 O ATOM 531 CB VAL A 507 13.949 14.105 11.791 1.00 0.00 C ATOM 532 CG1 VAL A 507 13.692 13.071 10.688 1.00 0.00 C ATOM 533 CG2 VAL A 507 14.642 13.398 12.963 1.00 0.00 C ATOM 0 H VAL A 507 13.143 15.629 9.972 1.00 0.00 H new ATOM 0 HA VAL A 507 14.886 15.980 12.193 1.00 0.00 H new ATOM 0 HB VAL A 507 12.987 14.506 12.109 1.00 0.00 H new ATOM 0 HG11 VAL A 507 13.137 12.229 11.101 1.00 0.00 H new ATOM 0 HG12 VAL A 507 13.112 13.530 9.887 1.00 0.00 H new ATOM 0 HG13 VAL A 507 14.644 12.719 10.291 1.00 0.00 H new ATOM 0 HG21 VAL A 507 14.056 12.529 13.262 1.00 0.00 H new ATOM 0 HG22 VAL A 507 15.637 13.076 12.657 1.00 0.00 H new ATOM 0 HG23 VAL A 507 14.726 14.086 13.804 1.00 0.00 H new ATOM 543 N LEU A 508 17.123 15.084 11.676 1.00 0.00 N ATOM 544 CA LEU A 508 18.548 14.882 11.399 1.00 0.00 C ATOM 545 C LEU A 508 19.140 13.752 12.256 1.00 0.00 C ATOM 546 O LEU A 508 19.927 12.944 11.757 1.00 0.00 O ATOM 547 CB LEU A 508 19.302 16.190 11.702 1.00 0.00 C ATOM 548 CG LEU A 508 18.834 17.437 10.931 1.00 0.00 C ATOM 549 CD1 LEU A 508 19.556 18.654 11.508 1.00 0.00 C ATOM 550 CD2 LEU A 508 19.125 17.336 9.432 1.00 0.00 C ATOM 0 H LEU A 508 16.947 15.309 12.655 1.00 0.00 H new ATOM 0 HA LEU A 508 18.656 14.602 10.351 1.00 0.00 H new ATOM 0 HB2 LEU A 508 19.218 16.395 12.769 1.00 0.00 H new ATOM 0 HB3 LEU A 508 20.360 16.033 11.490 1.00 0.00 H new ATOM 0 HG LEU A 508 17.754 17.526 11.044 1.00 0.00 H new ATOM 0 HD11 LEU A 508 19.239 19.551 10.976 1.00 0.00 H new ATOM 0 HD12 LEU A 508 19.312 18.754 12.566 1.00 0.00 H new ATOM 0 HD13 LEU A 508 20.633 18.526 11.395 1.00 0.00 H new ATOM 0 HD21 LEU A 508 18.776 18.240 8.932 1.00 0.00 H new ATOM 0 HD22 LEU A 508 20.198 17.226 9.276 1.00 0.00 H new ATOM 0 HD23 LEU A 508 18.608 16.470 9.019 1.00 0.00 H new ATOM 562 N ASP A 509 18.722 13.665 13.522 1.00 0.00 N ATOM 563 CA ASP A 509 19.107 12.618 14.476 1.00 0.00 C ATOM 564 C ASP A 509 17.929 12.282 15.408 1.00 0.00 C ATOM 565 O ASP A 509 17.151 13.158 15.796 1.00 0.00 O ATOM 566 CB ASP A 509 20.317 13.060 15.318 1.00 0.00 C ATOM 567 CG ASP A 509 21.620 13.148 14.506 1.00 0.00 C ATOM 568 OD1 ASP A 509 22.248 12.089 14.260 1.00 0.00 O ATOM 569 OD2 ASP A 509 22.052 14.274 14.155 1.00 0.00 O ATOM 0 H ASP A 509 18.081 14.348 13.927 1.00 0.00 H new ATOM 0 HA ASP A 509 19.381 11.730 13.906 1.00 0.00 H new ATOM 0 HB2 ASP A 509 20.107 14.033 15.762 1.00 0.00 H new ATOM 0 HB3 ASP A 509 20.455 12.358 16.140 1.00 0.00 H new ATOM 574 N ASP A 510 17.823 11.004 15.778 1.00 0.00 N ATOM 575 CA ASP A 510 16.709 10.418 16.542 1.00 0.00 C ATOM 576 C ASP A 510 17.175 9.380 17.596 1.00 0.00 C ATOM 577 O ASP A 510 16.382 8.579 18.100 1.00 0.00 O ATOM 578 CB ASP A 510 15.669 9.849 15.554 1.00 0.00 C ATOM 579 CG ASP A 510 16.221 8.817 14.550 1.00 0.00 C ATOM 580 OD1 ASP A 510 17.116 8.008 14.896 1.00 0.00 O ATOM 581 OD2 ASP A 510 15.739 8.793 13.391 1.00 0.00 O ATOM 0 H ASP A 510 18.539 10.316 15.546 1.00 0.00 H new ATOM 0 HA ASP A 510 16.238 11.205 17.131 1.00 0.00 H new ATOM 0 HB2 ASP A 510 14.864 9.385 16.124 1.00 0.00 H new ATOM 0 HB3 ASP A 510 15.229 10.676 14.997 1.00 0.00 H new ATOM 586 N SER A 511 18.473 9.392 17.936 1.00 0.00 N ATOM 587 CA SER A 511 19.143 8.418 18.821 1.00 0.00 C ATOM 588 C SER A 511 18.623 8.387 20.269 1.00 0.00 C ATOM 589 O SER A 511 18.726 7.352 20.936 1.00 0.00 O ATOM 590 CB SER A 511 20.650 8.709 18.864 1.00 0.00 C ATOM 591 OG SER A 511 21.212 8.684 17.559 1.00 0.00 O ATOM 0 H SER A 511 19.113 10.107 17.590 1.00 0.00 H new ATOM 0 HA SER A 511 18.920 7.444 18.386 1.00 0.00 H new ATOM 0 HB2 SER A 511 20.823 9.684 19.319 1.00 0.00 H new ATOM 0 HB3 SER A 511 21.149 7.971 19.492 1.00 0.00 H new ATOM 0 HG SER A 511 22.172 8.874 17.613 1.00 0.00 H new ATOM 597 N ARG A 512 18.063 9.503 20.758 1.00 0.00 N ATOM 598 CA ARG A 512 17.468 9.679 22.097 1.00 0.00 C ATOM 599 C ARG A 512 16.164 10.481 22.008 1.00 0.00 C ATOM 600 O ARG A 512 15.854 11.024 20.949 1.00 0.00 O ATOM 601 CB ARG A 512 18.467 10.400 23.027 1.00 0.00 C ATOM 602 CG ARG A 512 19.831 9.702 23.160 1.00 0.00 C ATOM 603 CD ARG A 512 20.603 10.192 24.391 1.00 0.00 C ATOM 604 NE ARG A 512 20.060 9.606 25.636 1.00 0.00 N ATOM 605 CZ ARG A 512 20.511 9.796 26.865 1.00 0.00 C ATOM 606 NH1 ARG A 512 21.493 10.611 27.129 1.00 0.00 N ATOM 607 NH2 ARG A 512 19.968 9.161 27.865 1.00 0.00 N ATOM 0 H ARG A 512 18.009 10.356 20.201 1.00 0.00 H new ATOM 0 HA ARG A 512 17.242 8.695 22.507 1.00 0.00 H new ATOM 0 HB2 ARG A 512 18.626 11.412 22.655 1.00 0.00 H new ATOM 0 HB3 ARG A 512 18.021 10.491 24.018 1.00 0.00 H new ATOM 0 HG2 ARG A 512 19.683 8.624 23.229 1.00 0.00 H new ATOM 0 HG3 ARG A 512 20.422 9.886 22.263 1.00 0.00 H new ATOM 0 HD2 ARG A 512 21.656 9.928 24.291 1.00 0.00 H new ATOM 0 HD3 ARG A 512 20.551 11.279 24.446 1.00 0.00 H new ATOM 0 HE ARG A 512 19.253 8.991 25.536 1.00 0.00 H new ATOM 0 HH11 ARG A 512 21.942 11.130 26.374 1.00 0.00 H new ATOM 0 HH12 ARG A 512 21.812 10.730 28.090 1.00 0.00 H new ATOM 0 HH21 ARG A 512 19.195 8.517 27.700 1.00 0.00 H new ATOM 0 HH22 ARG A 512 20.316 9.308 28.812 1.00 0.00 H new ATOM 621 N LYS A 513 15.426 10.612 23.121 1.00 0.00 N ATOM 622 CA LYS A 513 14.179 11.407 23.203 1.00 0.00 C ATOM 623 C LYS A 513 14.301 12.857 22.708 1.00 0.00 C ATOM 624 O LYS A 513 13.338 13.395 22.164 1.00 0.00 O ATOM 625 CB LYS A 513 13.535 11.335 24.604 1.00 0.00 C ATOM 626 CG LYS A 513 14.339 11.895 25.799 1.00 0.00 C ATOM 627 CD LYS A 513 15.328 10.883 26.408 1.00 0.00 C ATOM 628 CE LYS A 513 15.760 11.250 27.839 1.00 0.00 C ATOM 629 NZ LYS A 513 16.861 12.253 27.882 1.00 0.00 N ATOM 0 H LYS A 513 15.677 10.166 24.003 1.00 0.00 H new ATOM 0 HA LYS A 513 13.505 10.926 22.494 1.00 0.00 H new ATOM 0 HB2 LYS A 513 12.584 11.866 24.563 1.00 0.00 H new ATOM 0 HB3 LYS A 513 13.308 10.290 24.814 1.00 0.00 H new ATOM 0 HG2 LYS A 513 14.890 12.777 25.473 1.00 0.00 H new ATOM 0 HG3 LYS A 513 13.644 12.221 26.573 1.00 0.00 H new ATOM 0 HD2 LYS A 513 14.869 9.894 26.415 1.00 0.00 H new ATOM 0 HD3 LYS A 513 16.211 10.820 25.773 1.00 0.00 H new ATOM 0 HE2 LYS A 513 14.900 11.641 28.382 1.00 0.00 H new ATOM 0 HE3 LYS A 513 16.080 10.346 28.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 513 17.106 12.458 28.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 513 17.695 11.874 27.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 513 16.551 13.129 27.414 1.00 0.00 H new ATOM 643 N TRP A 514 15.479 13.469 22.843 1.00 0.00 N ATOM 644 CA TRP A 514 15.821 14.744 22.205 1.00 0.00 C ATOM 645 C TRP A 514 16.207 14.524 20.733 1.00 0.00 C ATOM 646 O TRP A 514 17.378 14.304 20.408 1.00 0.00 O ATOM 647 CB TRP A 514 16.928 15.454 22.993 1.00 0.00 C ATOM 648 CG TRP A 514 16.516 15.896 24.364 1.00 0.00 C ATOM 649 CD1 TRP A 514 16.649 15.170 25.496 1.00 0.00 C ATOM 650 CD2 TRP A 514 15.884 17.150 24.769 1.00 0.00 C ATOM 651 NE1 TRP A 514 16.107 15.865 26.562 1.00 0.00 N ATOM 652 CE2 TRP A 514 15.608 17.088 26.167 1.00 0.00 C ATOM 653 CE3 TRP A 514 15.521 18.337 24.099 1.00 0.00 C ATOM 654 CZ2 TRP A 514 14.975 18.131 26.859 1.00 0.00 C ATOM 655 CZ3 TRP A 514 14.903 19.402 24.784 1.00 0.00 C ATOM 656 CH2 TRP A 514 14.620 19.296 26.158 1.00 0.00 C ATOM 0 H TRP A 514 16.237 13.086 23.409 1.00 0.00 H new ATOM 0 HA TRP A 514 14.946 15.394 22.215 1.00 0.00 H new ATOM 0 HB2 TRP A 514 17.783 14.784 23.081 1.00 0.00 H new ATOM 0 HB3 TRP A 514 17.261 16.324 22.427 1.00 0.00 H new ATOM 0 HD1 TRP A 514 17.109 14.195 25.559 1.00 0.00 H new ATOM 0 HE1 TRP A 514 16.080 15.516 27.520 1.00 0.00 H new ATOM 0 HE3 TRP A 514 15.720 18.431 23.042 1.00 0.00 H new ATOM 0 HZ2 TRP A 514 14.764 18.040 27.914 1.00 0.00 H new ATOM 0 HZ3 TRP A 514 14.645 20.305 24.251 1.00 0.00 H new ATOM 0 HH2 TRP A 514 14.130 20.109 26.673 1.00 0.00 H new ATOM 667 N TRP A 515 15.215 14.556 19.841 1.00 0.00 N ATOM 668 CA TRP A 515 15.444 14.588 18.394 1.00 0.00 C ATOM 669 C TRP A 515 16.105 15.914 17.986 1.00 0.00 C ATOM 670 O TRP A 515 15.901 16.957 18.618 1.00 0.00 O ATOM 671 CB TRP A 515 14.126 14.358 17.628 1.00 0.00 C ATOM 672 CG TRP A 515 13.622 12.940 17.591 1.00 0.00 C ATOM 673 CD1 TRP A 515 13.900 11.982 18.503 1.00 0.00 C ATOM 674 CD2 TRP A 515 12.782 12.279 16.587 1.00 0.00 C ATOM 675 NE1 TRP A 515 13.308 10.789 18.150 1.00 0.00 N ATOM 676 CE2 TRP A 515 12.608 10.911 16.970 1.00 0.00 C ATOM 677 CE3 TRP A 515 12.160 12.686 15.385 1.00 0.00 C ATOM 678 CZ2 TRP A 515 11.873 9.997 16.201 1.00 0.00 C ATOM 679 CZ3 TRP A 515 11.430 11.771 14.598 1.00 0.00 C ATOM 680 CH2 TRP A 515 11.284 10.432 15.002 1.00 0.00 C ATOM 0 H TRP A 515 14.229 14.560 20.101 1.00 0.00 H new ATOM 0 HA TRP A 515 16.124 13.778 18.130 1.00 0.00 H new ATOM 0 HB2 TRP A 515 13.355 14.985 18.076 1.00 0.00 H new ATOM 0 HB3 TRP A 515 14.260 14.702 16.602 1.00 0.00 H new ATOM 0 HD1 TRP A 515 14.503 12.131 19.387 1.00 0.00 H new ATOM 0 HE1 TRP A 515 13.379 9.928 18.692 1.00 0.00 H new ATOM 0 HE3 TRP A 515 12.245 13.714 15.064 1.00 0.00 H new ATOM 0 HZ2 TRP A 515 11.761 8.973 16.526 1.00 0.00 H new ATOM 0 HZ3 TRP A 515 10.978 12.102 13.675 1.00 0.00 H new ATOM 0 HH2 TRP A 515 10.721 9.740 14.393 1.00 0.00 H new ATOM 691 N LYS A 516 16.877 15.876 16.899 1.00 0.00 N ATOM 692 CA LYS A 516 17.516 17.051 16.292 1.00 0.00 C ATOM 693 C LYS A 516 16.859 17.344 14.952 1.00 0.00 C ATOM 694 O LYS A 516 16.670 16.440 14.135 1.00 0.00 O ATOM 695 CB LYS A 516 19.023 16.802 16.156 1.00 0.00 C ATOM 696 CG LYS A 516 19.782 18.062 15.723 1.00 0.00 C ATOM 697 CD LYS A 516 21.300 17.857 15.792 1.00 0.00 C ATOM 698 CE LYS A 516 22.014 18.922 14.956 1.00 0.00 C ATOM 699 NZ LYS A 516 23.493 18.820 15.068 1.00 0.00 N ATOM 0 H LYS A 516 17.082 15.009 16.403 1.00 0.00 H new ATOM 0 HA LYS A 516 17.384 17.928 16.926 1.00 0.00 H new ATOM 0 HB2 LYS A 516 19.419 16.451 17.109 1.00 0.00 H new ATOM 0 HB3 LYS A 516 19.194 16.009 15.428 1.00 0.00 H new ATOM 0 HG2 LYS A 516 19.496 18.328 14.705 1.00 0.00 H new ATOM 0 HG3 LYS A 516 19.497 18.897 16.363 1.00 0.00 H new ATOM 0 HD2 LYS A 516 21.635 17.912 16.828 1.00 0.00 H new ATOM 0 HD3 LYS A 516 21.557 16.863 15.426 1.00 0.00 H new ATOM 0 HE2 LYS A 516 21.722 18.818 13.911 1.00 0.00 H new ATOM 0 HE3 LYS A 516 21.693 19.912 15.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 23.937 19.559 14.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 23.775 18.944 16.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 23.803 17.885 14.735 1.00 0.00 H new ATOM 713 N VAL A 517 16.517 18.609 14.736 1.00 0.00 N ATOM 714 CA VAL A 517 15.742 19.086 13.583 1.00 0.00 C ATOM 715 C VAL A 517 16.297 20.417 13.053 1.00 0.00 C ATOM 716 O VAL A 517 17.005 21.135 13.768 1.00 0.00 O ATOM 717 CB VAL A 517 14.247 19.233 13.944 1.00 0.00 C ATOM 718 CG1 VAL A 517 13.543 17.896 14.203 1.00 0.00 C ATOM 719 CG2 VAL A 517 14.001 20.129 15.164 1.00 0.00 C ATOM 0 H VAL A 517 16.777 19.360 15.376 1.00 0.00 H new ATOM 0 HA VAL A 517 15.834 18.340 12.794 1.00 0.00 H new ATOM 0 HB VAL A 517 13.823 19.699 13.054 1.00 0.00 H new ATOM 0 HG11 VAL A 517 12.497 18.077 14.451 1.00 0.00 H new ATOM 0 HG12 VAL A 517 13.602 17.275 13.309 1.00 0.00 H new ATOM 0 HG13 VAL A 517 14.029 17.384 15.034 1.00 0.00 H new ATOM 0 HG21 VAL A 517 12.931 20.189 15.362 1.00 0.00 H new ATOM 0 HG22 VAL A 517 14.508 19.708 16.033 1.00 0.00 H new ATOM 0 HG23 VAL A 517 14.390 21.128 14.966 1.00 0.00 H new ATOM 729 N ARG A 518 15.951 20.756 11.805 1.00 0.00 N ATOM 730 CA ARG A 518 16.376 21.982 11.104 1.00 0.00 C ATOM 731 C ARG A 518 15.164 22.857 10.770 1.00 0.00 C ATOM 732 O ARG A 518 14.291 22.458 9.997 1.00 0.00 O ATOM 733 CB ARG A 518 17.134 21.587 9.826 1.00 0.00 C ATOM 734 CG ARG A 518 17.922 22.764 9.227 1.00 0.00 C ATOM 735 CD ARG A 518 18.351 22.493 7.781 1.00 0.00 C ATOM 736 NE ARG A 518 19.214 21.299 7.656 1.00 0.00 N ATOM 737 CZ ARG A 518 19.500 20.657 6.535 1.00 0.00 C ATOM 738 NH1 ARG A 518 19.060 21.057 5.374 1.00 0.00 N ATOM 739 NH2 ARG A 518 20.247 19.589 6.555 1.00 0.00 N ATOM 0 H ARG A 518 15.347 20.166 11.233 1.00 0.00 H new ATOM 0 HA ARG A 518 17.035 22.563 11.749 1.00 0.00 H new ATOM 0 HB2 ARG A 518 17.820 20.770 10.051 1.00 0.00 H new ATOM 0 HB3 ARG A 518 16.425 21.213 9.087 1.00 0.00 H new ATOM 0 HG2 ARG A 518 17.309 23.665 9.260 1.00 0.00 H new ATOM 0 HG3 ARG A 518 18.805 22.957 9.837 1.00 0.00 H new ATOM 0 HD2 ARG A 518 17.464 22.361 7.162 1.00 0.00 H new ATOM 0 HD3 ARG A 518 18.883 23.363 7.395 1.00 0.00 H new ATOM 0 HE ARG A 518 19.628 20.936 8.515 1.00 0.00 H new ATOM 0 HH11 ARG A 518 18.475 21.890 5.310 1.00 0.00 H new ATOM 0 HH12 ARG A 518 19.301 20.537 4.530 1.00 0.00 H new ATOM 0 HH21 ARG A 518 20.616 19.242 7.440 1.00 0.00 H new ATOM 0 HH22 ARG A 518 20.462 19.101 5.686 1.00 0.00 H new ATOM 753 N ASP A 519 15.102 24.037 11.375 1.00 0.00 N ATOM 754 CA ASP A 519 14.087 25.068 11.114 1.00 0.00 C ATOM 755 C ASP A 519 14.282 25.760 9.738 1.00 0.00 C ATOM 756 O ASP A 519 15.388 25.745 9.184 1.00 0.00 O ATOM 757 CB ASP A 519 14.126 26.092 12.261 1.00 0.00 C ATOM 758 CG ASP A 519 15.541 26.628 12.472 1.00 0.00 C ATOM 759 OD1 ASP A 519 15.939 27.580 11.760 1.00 0.00 O ATOM 760 OD2 ASP A 519 16.235 26.062 13.347 1.00 0.00 O ATOM 0 H ASP A 519 15.777 24.319 12.086 1.00 0.00 H new ATOM 0 HA ASP A 519 13.108 24.591 11.071 1.00 0.00 H new ATOM 0 HB2 ASP A 519 13.450 26.918 12.038 1.00 0.00 H new ATOM 0 HB3 ASP A 519 13.769 25.627 13.180 1.00 0.00 H new ATOM 765 N PRO A 520 13.236 26.400 9.173 1.00 0.00 N ATOM 766 CA PRO A 520 13.294 27.050 7.859 1.00 0.00 C ATOM 767 C PRO A 520 14.153 28.329 7.805 1.00 0.00 C ATOM 768 O PRO A 520 14.452 28.813 6.710 1.00 0.00 O ATOM 769 CB PRO A 520 11.834 27.338 7.485 1.00 0.00 C ATOM 770 CG PRO A 520 11.136 27.471 8.835 1.00 0.00 C ATOM 771 CD PRO A 520 11.873 26.442 9.685 1.00 0.00 C ATOM 0 HA PRO A 520 13.793 26.390 7.150 1.00 0.00 H new ATOM 0 HB2 PRO A 520 11.744 28.251 6.896 1.00 0.00 H new ATOM 0 HB3 PRO A 520 11.406 26.531 6.890 1.00 0.00 H new ATOM 0 HG2 PRO A 520 11.229 28.477 9.243 1.00 0.00 H new ATOM 0 HG3 PRO A 520 10.070 27.253 8.765 1.00 0.00 H new ATOM 0 HD2 PRO A 520 11.860 26.724 10.738 1.00 0.00 H new ATOM 0 HD3 PRO A 520 11.398 25.463 9.612 1.00 0.00 H new ATOM 779 N ALA A 521 14.572 28.878 8.953 1.00 0.00 N ATOM 780 CA ALA A 521 15.525 29.993 9.023 1.00 0.00 C ATOM 781 C ALA A 521 16.988 29.546 8.794 1.00 0.00 C ATOM 782 O ALA A 521 17.846 30.384 8.497 1.00 0.00 O ATOM 783 CB ALA A 521 15.353 30.710 10.371 1.00 0.00 C ATOM 0 H ALA A 521 14.256 28.557 9.868 1.00 0.00 H new ATOM 0 HA ALA A 521 15.305 30.686 8.211 1.00 0.00 H new ATOM 0 HB1 ALA A 521 16.056 31.540 10.434 1.00 0.00 H new ATOM 0 HB2 ALA A 521 14.335 31.090 10.454 1.00 0.00 H new ATOM 0 HB3 ALA A 521 15.546 30.009 11.183 1.00 0.00 H new ATOM 789 N GLY A 522 17.277 28.242 8.896 1.00 0.00 N ATOM 790 CA GLY A 522 18.587 27.644 8.614 1.00 0.00 C ATOM 791 C GLY A 522 19.420 27.308 9.858 1.00 0.00 C ATOM 792 O GLY A 522 20.590 26.936 9.720 1.00 0.00 O ATOM 0 H GLY A 522 16.583 27.553 9.186 1.00 0.00 H new ATOM 0 HA2 GLY A 522 18.438 26.732 8.036 1.00 0.00 H new ATOM 0 HA3 GLY A 522 19.157 28.329 7.986 1.00 0.00 H new ATOM 796 N GLN A 523 18.855 27.447 11.061 1.00 0.00 N ATOM 797 CA GLN A 523 19.488 27.039 12.319 1.00 0.00 C ATOM 798 C GLN A 523 19.200 25.544 12.614 1.00 0.00 C ATOM 799 O GLN A 523 18.558 24.839 11.825 1.00 0.00 O ATOM 800 CB GLN A 523 19.000 27.965 13.452 1.00 0.00 C ATOM 801 CG GLN A 523 19.309 29.461 13.257 1.00 0.00 C ATOM 802 CD GLN A 523 20.636 29.876 13.890 1.00 0.00 C ATOM 803 OE1 GLN A 523 21.666 29.988 13.235 1.00 0.00 O ATOM 804 NE2 GLN A 523 20.667 30.123 15.185 1.00 0.00 N ATOM 0 H GLN A 523 17.928 27.853 11.190 1.00 0.00 H new ATOM 0 HA GLN A 523 20.571 27.138 12.242 1.00 0.00 H new ATOM 0 HB2 GLN A 523 17.922 27.844 13.559 1.00 0.00 H new ATOM 0 HB3 GLN A 523 19.452 27.636 14.388 1.00 0.00 H new ATOM 0 HG2 GLN A 523 19.333 29.687 12.191 1.00 0.00 H new ATOM 0 HG3 GLN A 523 18.503 30.054 13.690 1.00 0.00 H new ATOM 0 HE21 GLN A 523 19.817 30.034 15.742 1.00 0.00 H new ATOM 0 HE22 GLN A 523 21.541 30.403 15.630 1.00 0.00 H new ATOM 813 N GLU A 524 19.706 25.040 13.743 1.00 0.00 N ATOM 814 CA GLU A 524 19.485 23.672 14.239 1.00 0.00 C ATOM 815 C GLU A 524 19.386 23.674 15.777 1.00 0.00 C ATOM 816 O GLU A 524 19.990 24.520 16.448 1.00 0.00 O ATOM 817 CB GLU A 524 20.659 22.757 13.829 1.00 0.00 C ATOM 818 CG GLU A 524 20.796 22.475 12.327 1.00 0.00 C ATOM 819 CD GLU A 524 22.156 21.823 12.012 1.00 0.00 C ATOM 820 OE1 GLU A 524 22.376 20.641 12.369 1.00 0.00 O ATOM 821 OE2 GLU A 524 23.030 22.496 11.410 1.00 0.00 O ATOM 0 H GLU A 524 20.302 25.590 14.361 1.00 0.00 H new ATOM 0 HA GLU A 524 18.556 23.301 13.805 1.00 0.00 H new ATOM 0 HB2 GLU A 524 21.587 23.209 14.180 1.00 0.00 H new ATOM 0 HB3 GLU A 524 20.551 21.805 14.349 1.00 0.00 H new ATOM 0 HG2 GLU A 524 19.989 21.818 12.001 1.00 0.00 H new ATOM 0 HG3 GLU A 524 20.696 23.405 11.768 1.00 0.00 H new ATOM 828 N GLY A 525 18.680 22.697 16.352 1.00 0.00 N ATOM 829 CA GLY A 525 18.648 22.481 17.802 1.00 0.00 C ATOM 830 C GLY A 525 17.919 21.205 18.227 1.00 0.00 C ATOM 831 O GLY A 525 17.195 20.583 17.441 1.00 0.00 O ATOM 0 H GLY A 525 18.114 22.032 15.825 1.00 0.00 H new ATOM 0 HA2 GLY A 525 19.671 22.444 18.176 1.00 0.00 H new ATOM 0 HA3 GLY A 525 18.167 23.337 18.276 1.00 0.00 H new ATOM 835 N TYR A 526 18.121 20.822 19.488 1.00 0.00 N ATOM 836 CA TYR A 526 17.467 19.671 20.114 1.00 0.00 C ATOM 837 C TYR A 526 16.097 20.035 20.712 1.00 0.00 C ATOM 838 O TYR A 526 15.947 21.083 21.348 1.00 0.00 O ATOM 839 CB TYR A 526 18.396 19.107 21.198 1.00 0.00 C ATOM 840 CG TYR A 526 19.623 18.410 20.639 1.00 0.00 C ATOM 841 CD1 TYR A 526 19.482 17.159 20.007 1.00 0.00 C ATOM 842 CD2 TYR A 526 20.895 19.013 20.724 1.00 0.00 C ATOM 843 CE1 TYR A 526 20.606 16.510 19.465 1.00 0.00 C ATOM 844 CE2 TYR A 526 22.023 18.366 20.182 1.00 0.00 C ATOM 845 CZ TYR A 526 21.881 17.108 19.553 1.00 0.00 C ATOM 846 OH TYR A 526 22.961 16.477 19.016 1.00 0.00 O ATOM 0 H TYR A 526 18.757 21.313 20.116 1.00 0.00 H new ATOM 0 HA TYR A 526 17.282 18.919 19.347 1.00 0.00 H new ATOM 0 HB2 TYR A 526 18.715 19.919 21.851 1.00 0.00 H new ATOM 0 HB3 TYR A 526 17.837 18.403 21.815 1.00 0.00 H new ATOM 0 HD1 TYR A 526 18.508 16.697 19.938 1.00 0.00 H new ATOM 0 HD2 TYR A 526 21.005 19.973 21.206 1.00 0.00 H new ATOM 0 HE1 TYR A 526 20.493 15.552 18.980 1.00 0.00 H new ATOM 0 HE2 TYR A 526 22.996 18.831 20.247 1.00 0.00 H new ATOM 0 HH TYR A 526 23.763 17.021 19.160 1.00 0.00 H new ATOM 856 N VAL A 527 15.120 19.134 20.552 1.00 0.00 N ATOM 857 CA VAL A 527 13.746 19.216 21.097 1.00 0.00 C ATOM 858 C VAL A 527 13.177 17.810 21.365 1.00 0.00 C ATOM 859 O VAL A 527 13.594 16.853 20.708 1.00 0.00 O ATOM 860 CB VAL A 527 12.785 19.963 20.143 1.00 0.00 C ATOM 861 CG1 VAL A 527 12.974 21.479 20.223 1.00 0.00 C ATOM 862 CG2 VAL A 527 12.909 19.533 18.678 1.00 0.00 C ATOM 0 H VAL A 527 15.267 18.281 20.012 1.00 0.00 H new ATOM 0 HA VAL A 527 13.818 19.774 22.030 1.00 0.00 H new ATOM 0 HB VAL A 527 11.789 19.689 20.490 1.00 0.00 H new ATOM 0 HG11 VAL A 527 12.281 21.969 19.538 1.00 0.00 H new ATOM 0 HG12 VAL A 527 12.778 21.817 21.241 1.00 0.00 H new ATOM 0 HG13 VAL A 527 13.997 21.733 19.947 1.00 0.00 H new ATOM 0 HG21 VAL A 527 12.204 20.101 18.071 1.00 0.00 H new ATOM 0 HG22 VAL A 527 13.924 19.723 18.328 1.00 0.00 H new ATOM 0 HG23 VAL A 527 12.688 18.469 18.591 1.00 0.00 H new ATOM 872 N PRO A 528 12.222 17.635 22.301 1.00 0.00 N ATOM 873 CA PRO A 528 11.625 16.326 22.567 1.00 0.00 C ATOM 874 C PRO A 528 10.801 15.821 21.368 1.00 0.00 C ATOM 875 O PRO A 528 10.072 16.587 20.737 1.00 0.00 O ATOM 876 CB PRO A 528 10.762 16.516 23.820 1.00 0.00 C ATOM 877 CG PRO A 528 10.418 18.005 23.811 1.00 0.00 C ATOM 878 CD PRO A 528 11.649 18.649 23.179 1.00 0.00 C ATOM 0 HA PRO A 528 12.387 15.563 22.725 1.00 0.00 H new ATOM 0 HB2 PRO A 528 9.864 15.899 23.783 1.00 0.00 H new ATOM 0 HB3 PRO A 528 11.304 16.237 24.724 1.00 0.00 H new ATOM 0 HG2 PRO A 528 9.517 18.206 23.231 1.00 0.00 H new ATOM 0 HG3 PRO A 528 10.240 18.382 24.818 1.00 0.00 H new ATOM 0 HD2 PRO A 528 11.378 19.544 22.618 1.00 0.00 H new ATOM 0 HD3 PRO A 528 12.365 18.956 23.942 1.00 0.00 H new ATOM 886 N TYR A 529 10.856 14.519 21.073 1.00 0.00 N ATOM 887 CA TYR A 529 10.023 13.913 20.020 1.00 0.00 C ATOM 888 C TYR A 529 8.515 13.941 20.332 1.00 0.00 C ATOM 889 O TYR A 529 7.700 13.872 19.414 1.00 0.00 O ATOM 890 CB TYR A 529 10.484 12.480 19.720 1.00 0.00 C ATOM 891 CG TYR A 529 9.951 11.406 20.655 1.00 0.00 C ATOM 892 CD1 TYR A 529 10.563 11.190 21.902 1.00 0.00 C ATOM 893 CD2 TYR A 529 8.840 10.626 20.277 1.00 0.00 C ATOM 894 CE1 TYR A 529 10.087 10.186 22.767 1.00 0.00 C ATOM 895 CE2 TYR A 529 8.352 9.626 21.140 1.00 0.00 C ATOM 896 CZ TYR A 529 8.978 9.399 22.385 1.00 0.00 C ATOM 897 OH TYR A 529 8.513 8.423 23.210 1.00 0.00 O ATOM 0 H TYR A 529 11.470 13.858 21.549 1.00 0.00 H new ATOM 0 HA TYR A 529 10.162 14.532 19.134 1.00 0.00 H new ATOM 0 HB2 TYR A 529 10.188 12.229 18.702 1.00 0.00 H new ATOM 0 HB3 TYR A 529 11.573 12.455 19.751 1.00 0.00 H new ATOM 0 HD1 TYR A 529 11.404 11.799 22.199 1.00 0.00 H new ATOM 0 HD2 TYR A 529 8.362 10.795 19.324 1.00 0.00 H new ATOM 0 HE1 TYR A 529 10.568 10.018 23.719 1.00 0.00 H new ATOM 0 HE2 TYR A 529 7.498 9.032 20.849 1.00 0.00 H new ATOM 0 HH TYR A 529 7.745 7.980 22.792 1.00 0.00 H new ATOM 907 N ASN A 530 8.124 14.067 21.609 1.00 0.00 N ATOM 908 CA ASN A 530 6.724 14.035 22.051 1.00 0.00 C ATOM 909 C ASN A 530 5.837 15.123 21.403 1.00 0.00 C ATOM 910 O ASN A 530 4.636 14.911 21.219 1.00 0.00 O ATOM 911 CB ASN A 530 6.704 14.135 23.588 1.00 0.00 C ATOM 912 CG ASN A 530 5.338 13.788 24.164 1.00 0.00 C ATOM 913 OD1 ASN A 530 4.977 12.626 24.302 1.00 0.00 O ATOM 914 ND2 ASN A 530 4.535 14.766 24.521 1.00 0.00 N ATOM 0 H ASN A 530 8.784 14.196 22.376 1.00 0.00 H new ATOM 0 HA ASN A 530 6.287 13.093 21.720 1.00 0.00 H new ATOM 0 HB2 ASN A 530 7.455 13.463 24.005 1.00 0.00 H new ATOM 0 HB3 ASN A 530 6.978 15.146 23.889 1.00 0.00 H new ATOM 0 HD21 ASN A 530 3.616 14.555 24.911 1.00 0.00 H new ATOM 0 HD22 ASN A 530 4.831 15.736 24.408 1.00 0.00 H new ATOM 921 N ILE A 531 6.426 16.268 21.028 1.00 0.00 N ATOM 922 CA ILE A 531 5.732 17.400 20.383 1.00 0.00 C ATOM 923 C ILE A 531 5.810 17.378 18.844 1.00 0.00 C ATOM 924 O ILE A 531 5.247 18.257 18.189 1.00 0.00 O ATOM 925 CB ILE A 531 6.220 18.753 20.957 1.00 0.00 C ATOM 926 CG1 ILE A 531 7.698 19.034 20.606 1.00 0.00 C ATOM 927 CG2 ILE A 531 5.967 18.800 22.476 1.00 0.00 C ATOM 928 CD1 ILE A 531 8.250 20.361 21.130 1.00 0.00 C ATOM 0 H ILE A 531 7.422 16.440 21.167 1.00 0.00 H new ATOM 0 HA ILE A 531 4.676 17.283 20.624 1.00 0.00 H new ATOM 0 HB ILE A 531 5.644 19.551 20.489 1.00 0.00 H new ATOM 0 HG12 ILE A 531 8.309 18.223 21.001 1.00 0.00 H new ATOM 0 HG13 ILE A 531 7.807 19.016 19.522 1.00 0.00 H new ATOM 0 HG21 ILE A 531 6.313 19.754 22.873 1.00 0.00 H new ATOM 0 HG22 ILE A 531 4.900 18.691 22.671 1.00 0.00 H new ATOM 0 HG23 ILE A 531 6.509 17.988 22.960 1.00 0.00 H new ATOM 0 HD11 ILE A 531 9.293 20.464 20.831 1.00 0.00 H new ATOM 0 HD12 ILE A 531 7.670 21.185 20.715 1.00 0.00 H new ATOM 0 HD13 ILE A 531 8.180 20.380 22.218 1.00 0.00 H new ATOM 940 N LEU A 532 6.475 16.375 18.259 1.00 0.00 N ATOM 941 CA LEU A 532 6.727 16.234 16.821 1.00 0.00 C ATOM 942 C LEU A 532 6.003 14.991 16.273 1.00 0.00 C ATOM 943 O LEU A 532 6.121 13.894 16.825 1.00 0.00 O ATOM 944 CB LEU A 532 8.248 16.121 16.580 1.00 0.00 C ATOM 945 CG LEU A 532 9.090 17.340 17.003 1.00 0.00 C ATOM 946 CD1 LEU A 532 10.574 17.024 16.810 1.00 0.00 C ATOM 947 CD2 LEU A 532 8.756 18.592 16.188 1.00 0.00 C ATOM 0 H LEU A 532 6.870 15.605 18.800 1.00 0.00 H new ATOM 0 HA LEU A 532 6.344 17.110 16.298 1.00 0.00 H new ATOM 0 HB2 LEU A 532 8.617 15.246 17.115 1.00 0.00 H new ATOM 0 HB3 LEU A 532 8.415 15.939 15.518 1.00 0.00 H new ATOM 0 HG LEU A 532 8.860 17.542 18.049 1.00 0.00 H new ATOM 0 HD11 LEU A 532 11.171 17.885 17.109 1.00 0.00 H new ATOM 0 HD12 LEU A 532 10.846 16.164 17.422 1.00 0.00 H new ATOM 0 HD13 LEU A 532 10.764 16.797 15.761 1.00 0.00 H new ATOM 0 HD21 LEU A 532 9.377 19.422 16.525 1.00 0.00 H new ATOM 0 HD22 LEU A 532 8.948 18.401 15.132 1.00 0.00 H new ATOM 0 HD23 LEU A 532 7.705 18.846 16.325 1.00 0.00 H new ATOM 959 N THR A 533 5.269 15.147 15.171 1.00 0.00 N ATOM 960 CA THR A 533 4.528 14.060 14.506 1.00 0.00 C ATOM 961 C THR A 533 5.237 13.575 13.236 1.00 0.00 C ATOM 962 O THR A 533 5.970 14.346 12.614 1.00 0.00 O ATOM 963 CB THR A 533 3.076 14.472 14.186 1.00 0.00 C ATOM 964 OG1 THR A 533 2.981 15.750 13.600 1.00 0.00 O ATOM 965 CG2 THR A 533 2.221 14.477 15.448 1.00 0.00 C ATOM 0 H THR A 533 5.167 16.047 14.702 1.00 0.00 H new ATOM 0 HA THR A 533 4.499 13.230 15.211 1.00 0.00 H new ATOM 0 HB THR A 533 2.716 13.731 13.472 1.00 0.00 H new ATOM 0 HG1 THR A 533 2.413 16.323 14.156 1.00 0.00 H new ATOM 0 HG21 THR A 533 1.202 14.771 15.196 1.00 0.00 H new ATOM 0 HG22 THR A 533 2.213 13.479 15.886 1.00 0.00 H new ATOM 0 HG23 THR A 533 2.636 15.185 16.166 1.00 0.00 H new ATOM 973 N PRO A 534 5.016 12.313 12.803 1.00 0.00 N ATOM 974 CA PRO A 534 5.726 11.686 11.675 1.00 0.00 C ATOM 975 C PRO A 534 5.359 12.241 10.278 1.00 0.00 C ATOM 976 O PRO A 534 5.715 11.632 9.267 1.00 0.00 O ATOM 977 CB PRO A 534 5.423 10.185 11.807 1.00 0.00 C ATOM 978 CG PRO A 534 4.056 10.155 12.480 1.00 0.00 C ATOM 979 CD PRO A 534 4.156 11.325 13.451 1.00 0.00 C ATOM 0 HA PRO A 534 6.791 11.909 11.734 1.00 0.00 H new ATOM 0 HB2 PRO A 534 5.402 9.693 10.835 1.00 0.00 H new ATOM 0 HB3 PRO A 534 6.177 9.675 12.407 1.00 0.00 H new ATOM 0 HG2 PRO A 534 3.245 10.287 11.763 1.00 0.00 H new ATOM 0 HG3 PRO A 534 3.875 9.211 12.995 1.00 0.00 H new ATOM 0 HD2 PRO A 534 3.171 11.743 13.661 1.00 0.00 H new ATOM 0 HD3 PRO A 534 4.577 11.006 14.404 1.00 0.00 H new ATOM 987 N TYR A 535 4.643 13.374 10.208 1.00 0.00 N ATOM 988 CA TYR A 535 4.101 14.004 8.994 1.00 0.00 C ATOM 989 C TYR A 535 3.386 12.988 8.066 1.00 0.00 C ATOM 990 O TYR A 535 3.877 12.670 6.976 1.00 0.00 O ATOM 991 CB TYR A 535 5.186 14.868 8.319 1.00 0.00 C ATOM 992 CG TYR A 535 4.678 16.074 7.540 1.00 0.00 C ATOM 993 CD1 TYR A 535 3.700 15.936 6.534 1.00 0.00 C ATOM 994 CD2 TYR A 535 5.187 17.355 7.837 1.00 0.00 C ATOM 995 CE1 TYR A 535 3.233 17.064 5.836 1.00 0.00 C ATOM 996 CE2 TYR A 535 4.693 18.491 7.167 1.00 0.00 C ATOM 997 CZ TYR A 535 3.716 18.348 6.160 1.00 0.00 C ATOM 998 OH TYR A 535 3.237 19.439 5.504 1.00 0.00 O ATOM 0 H TYR A 535 4.413 13.906 11.047 1.00 0.00 H new ATOM 0 HA TYR A 535 3.300 14.690 9.270 1.00 0.00 H new ATOM 0 HB2 TYR A 535 5.876 15.219 9.087 1.00 0.00 H new ATOM 0 HB3 TYR A 535 5.759 14.235 7.641 1.00 0.00 H new ATOM 0 HD1 TYR A 535 3.307 14.958 6.298 1.00 0.00 H new ATOM 0 HD2 TYR A 535 5.960 17.466 8.583 1.00 0.00 H new ATOM 0 HE1 TYR A 535 2.502 16.946 5.050 1.00 0.00 H new ATOM 0 HE2 TYR A 535 5.063 19.473 7.425 1.00 0.00 H new ATOM 0 HH TYR A 535 3.674 20.246 5.849 1.00 0.00 H new