USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 640 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 445 THR OG1 : rot 66:sc= 0.877 USER MOD Set 1.2: A 508 THR OG1 : rot -117:sc= -0.423 USER MOD Single : A 444 SER OG : rot 120:sc= -0.774 USER MOD Single : A 447 MET CE :methyl 168:sc= -1.07 (180deg=-1.52) USER MOD Single : A 451 ASN : amide:sc= -0.104 K(o=-0.1,f=-2.4!) USER MOD Single : A 452 MET CE :methyl 169:sc= 0 (180deg=-0.251) USER MOD Single : A 456 LYS NZ :NH3+ 158:sc= -0.059 (180deg=-0.334) USER MOD Single : A 467 THR OG1 : rot 71:sc= 0.348 USER MOD Single : A 470 CYS SG : rot 150:sc= -2.66! USER MOD Single : A 472 LYS NZ :NH3+ -118:sc= 0.754 (180deg=0) USER MOD Single : A 477 ASN : amide:sc= -1.74 X(o=-1.7,f=-2.2) USER MOD Single : A 482 TYR OH : rot 180:sc= 0 USER MOD Single : A 483 GLN :FLIP amide:sc= 0 F(o=-0.6,f=0) USER MOD Single : A 485 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.181) USER MOD Single : A 497 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 503 SER OG : rot 180:sc= 0 USER MOD Single : A 506 SER OG : rot 180:sc= 0 USER MOD Single : A 509 HIS : no HD1:sc= 0 X(o=0,f=-0.007) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 513 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 516 ASN : amide:sc= -1.23 X(o=-1.2,f=-0.88!) USER MOD Single : A 524 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 530 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 204 N SER A 444 0.966 13.597 10.146 1.00 0.00 N ATOM 205 CA SER A 444 1.510 12.457 9.418 1.00 0.00 C ATOM 206 C SER A 444 0.390 11.572 8.879 1.00 0.00 C ATOM 207 O SER A 444 -0.127 10.706 9.585 1.00 0.00 O ATOM 208 CB SER A 444 2.431 11.639 10.325 1.00 0.00 C ATOM 209 OG SER A 444 2.966 10.522 9.635 1.00 0.00 O ATOM 0 HA SER A 444 2.086 12.837 8.575 1.00 0.00 H new ATOM 0 HB2 SER A 444 3.243 12.269 10.688 1.00 0.00 H new ATOM 0 HB3 SER A 444 1.877 11.299 11.200 1.00 0.00 H new ATOM 0 HG SER A 444 3.944 10.584 9.621 1.00 0.00 H new ATOM 215 N THR A 445 0.020 11.797 7.622 1.00 0.00 N ATOM 216 CA THR A 445 -1.039 11.022 6.988 1.00 0.00 C ATOM 217 C THR A 445 -0.480 9.771 6.320 1.00 0.00 C ATOM 218 O THR A 445 -1.186 9.076 5.590 1.00 0.00 O ATOM 219 CB THR A 445 -1.793 11.857 5.937 1.00 0.00 C ATOM 220 OG1 THR A 445 -2.856 11.084 5.367 1.00 0.00 O ATOM 221 CG2 THR A 445 -0.851 12.322 4.836 1.00 0.00 C ATOM 0 H THR A 445 0.438 12.509 7.023 1.00 0.00 H new ATOM 0 HA THR A 445 -1.733 10.731 7.776 1.00 0.00 H new ATOM 0 HB THR A 445 -2.208 12.735 6.433 1.00 0.00 H new ATOM 0 HG1 THR A 445 -3.531 10.901 6.053 1.00 0.00 H new ATOM 0 HG21 THR A 445 -1.407 12.910 4.106 1.00 0.00 H new ATOM 0 HG22 THR A 445 -0.060 12.935 5.269 1.00 0.00 H new ATOM 0 HG23 THR A 445 -0.410 11.455 4.344 1.00 0.00 H new ATOM 229 N VAL A 446 0.794 9.488 6.575 1.00 0.00 N ATOM 230 CA VAL A 446 1.448 8.319 5.999 1.00 0.00 C ATOM 231 C VAL A 446 1.711 7.258 7.062 1.00 0.00 C ATOM 232 O VAL A 446 2.590 7.417 7.908 1.00 0.00 O ATOM 233 CB VAL A 446 2.781 8.696 5.325 1.00 0.00 C ATOM 234 CG1 VAL A 446 3.309 7.534 4.499 1.00 0.00 C ATOM 235 CG2 VAL A 446 2.609 9.938 4.464 1.00 0.00 C ATOM 0 H VAL A 446 1.393 10.053 7.177 1.00 0.00 H new ATOM 0 HA VAL A 446 0.771 7.916 5.246 1.00 0.00 H new ATOM 0 HB VAL A 446 3.511 8.919 6.103 1.00 0.00 H new ATOM 0 HG11 VAL A 446 4.251 7.819 4.031 1.00 0.00 H new ATOM 0 HG12 VAL A 446 3.472 6.672 5.146 1.00 0.00 H new ATOM 0 HG13 VAL A 446 2.583 7.277 3.727 1.00 0.00 H new ATOM 0 HG21 VAL A 446 3.560 10.190 3.995 1.00 0.00 H new ATOM 0 HG22 VAL A 446 1.864 9.745 3.692 1.00 0.00 H new ATOM 0 HG23 VAL A 446 2.279 10.770 5.087 1.00 0.00 H new ATOM 245 N MET A 447 0.943 6.174 7.010 1.00 0.00 N ATOM 246 CA MET A 447 1.095 5.085 7.968 1.00 0.00 C ATOM 247 C MET A 447 1.929 3.953 7.377 1.00 0.00 C ATOM 248 O MET A 447 2.066 3.841 6.158 1.00 0.00 O ATOM 249 CB MET A 447 -0.277 4.556 8.392 1.00 0.00 C ATOM 250 CG MET A 447 -0.231 3.157 8.985 1.00 0.00 C ATOM 251 SD MET A 447 -1.867 2.533 9.419 1.00 0.00 S ATOM 252 CE MET A 447 -2.361 1.773 7.874 1.00 0.00 C ATOM 0 H MET A 447 0.210 6.027 6.316 1.00 0.00 H new ATOM 0 HA MET A 447 1.613 5.475 8.844 1.00 0.00 H new ATOM 0 HB2 MET A 447 -0.710 5.238 9.124 1.00 0.00 H new ATOM 0 HB3 MET A 447 -0.940 4.554 7.527 1.00 0.00 H new ATOM 0 HG2 MET A 447 0.235 2.479 8.270 1.00 0.00 H new ATOM 0 HG3 MET A 447 0.399 3.164 9.875 1.00 0.00 H new ATOM 0 HE1 MET A 447 -3.249 1.162 8.037 1.00 0.00 H new ATOM 0 HE2 MET A 447 -2.583 2.549 7.142 1.00 0.00 H new ATOM 0 HE3 MET A 447 -1.552 1.145 7.502 1.00 0.00 H new ATOM 262 N VAL A 448 2.484 3.116 8.247 1.00 0.00 N ATOM 263 CA VAL A 448 3.304 1.992 7.810 1.00 0.00 C ATOM 264 C VAL A 448 2.922 0.714 8.547 1.00 0.00 C ATOM 265 O VAL A 448 2.659 0.733 9.751 1.00 0.00 O ATOM 266 CB VAL A 448 4.803 2.271 8.033 1.00 0.00 C ATOM 267 CG1 VAL A 448 5.120 2.330 9.519 1.00 0.00 C ATOM 268 CG2 VAL A 448 5.649 1.215 7.339 1.00 0.00 C ATOM 0 H VAL A 448 2.381 3.195 9.259 1.00 0.00 H new ATOM 0 HA VAL A 448 3.120 1.862 6.743 1.00 0.00 H new ATOM 0 HB VAL A 448 5.044 3.241 7.597 1.00 0.00 H new ATOM 0 HG11 VAL A 448 6.183 2.528 9.657 1.00 0.00 H new ATOM 0 HG12 VAL A 448 4.539 3.127 9.984 1.00 0.00 H new ATOM 0 HG13 VAL A 448 4.865 1.377 9.984 1.00 0.00 H new ATOM 0 HG21 VAL A 448 6.705 1.427 7.506 1.00 0.00 H new ATOM 0 HG22 VAL A 448 5.408 0.232 7.743 1.00 0.00 H new ATOM 0 HG23 VAL A 448 5.442 1.228 6.269 1.00 0.00 H new ATOM 278 N LEU A 449 2.893 -0.396 7.818 1.00 0.00 N ATOM 279 CA LEU A 449 2.543 -1.686 8.403 1.00 0.00 C ATOM 280 C LEU A 449 3.726 -2.648 8.348 1.00 0.00 C ATOM 281 O LEU A 449 4.316 -2.862 7.289 1.00 0.00 O ATOM 282 CB LEU A 449 1.344 -2.292 7.670 1.00 0.00 C ATOM 283 CG LEU A 449 0.093 -1.417 7.593 1.00 0.00 C ATOM 284 CD1 LEU A 449 -1.017 -2.137 6.843 1.00 0.00 C ATOM 285 CD2 LEU A 449 -0.371 -1.026 8.989 1.00 0.00 C ATOM 0 H LEU A 449 3.107 -0.429 6.821 1.00 0.00 H new ATOM 0 HA LEU A 449 2.279 -1.524 9.448 1.00 0.00 H new ATOM 0 HB2 LEU A 449 1.652 -2.541 6.655 1.00 0.00 H new ATOM 0 HB3 LEU A 449 1.079 -3.228 8.161 1.00 0.00 H new ATOM 0 HG LEU A 449 0.342 -0.508 7.046 1.00 0.00 H new ATOM 0 HD11 LEU A 449 -1.899 -1.499 6.798 1.00 0.00 H new ATOM 0 HD12 LEU A 449 -0.683 -2.366 5.831 1.00 0.00 H new ATOM 0 HD13 LEU A 449 -1.265 -3.063 7.361 1.00 0.00 H new ATOM 0 HD21 LEU A 449 -1.263 -0.403 8.915 1.00 0.00 H new ATOM 0 HD22 LEU A 449 -0.603 -1.925 9.560 1.00 0.00 H new ATOM 0 HD23 LEU A 449 0.419 -0.469 9.493 1.00 0.00 H new ATOM 297 N ARG A 450 4.065 -3.226 9.495 1.00 0.00 N ATOM 298 CA ARG A 450 5.177 -4.166 9.578 1.00 0.00 C ATOM 299 C ARG A 450 4.701 -5.529 10.071 1.00 0.00 C ATOM 300 O ARG A 450 3.941 -5.620 11.034 1.00 0.00 O ATOM 301 CB ARG A 450 6.262 -3.624 10.510 1.00 0.00 C ATOM 302 CG ARG A 450 6.869 -2.312 10.041 1.00 0.00 C ATOM 303 CD ARG A 450 7.598 -1.601 11.169 1.00 0.00 C ATOM 304 NE ARG A 450 8.709 -0.790 10.678 1.00 0.00 N ATOM 305 CZ ARG A 450 9.835 -1.302 10.194 1.00 0.00 C ATOM 306 NH1 ARG A 450 9.998 -2.617 10.136 1.00 0.00 N ATOM 307 NH2 ARG A 450 10.800 -0.499 9.765 1.00 0.00 N ATOM 0 H ARG A 450 3.586 -3.060 10.380 1.00 0.00 H new ATOM 0 HA ARG A 450 5.594 -4.286 8.578 1.00 0.00 H new ATOM 0 HB2 ARG A 450 5.838 -3.483 11.504 1.00 0.00 H new ATOM 0 HB3 ARG A 450 7.053 -4.368 10.603 1.00 0.00 H new ATOM 0 HG2 ARG A 450 7.562 -2.503 9.222 1.00 0.00 H new ATOM 0 HG3 ARG A 450 6.083 -1.666 9.650 1.00 0.00 H new ATOM 0 HD2 ARG A 450 6.897 -0.965 11.710 1.00 0.00 H new ATOM 0 HD3 ARG A 450 7.973 -2.338 11.879 1.00 0.00 H new ATOM 0 HE ARG A 450 8.615 0.225 10.708 1.00 0.00 H new ATOM 0 HH11 ARG A 450 9.258 -3.238 10.463 1.00 0.00 H new ATOM 0 HH12 ARG A 450 10.864 -3.008 9.764 1.00 0.00 H new ATOM 0 HH21 ARG A 450 10.678 0.513 9.807 1.00 0.00 H new ATOM 0 HH22 ARG A 450 11.664 -0.893 9.394 1.00 0.00 H new ATOM 321 N ASN A 451 5.154 -6.586 9.404 1.00 0.00 N ATOM 322 CA ASN A 451 4.773 -7.944 9.775 1.00 0.00 C ATOM 323 C ASN A 451 3.318 -8.220 9.409 1.00 0.00 C ATOM 324 O ASN A 451 2.558 -8.760 10.213 1.00 0.00 O ATOM 325 CB ASN A 451 4.985 -8.164 11.274 1.00 0.00 C ATOM 326 CG ASN A 451 5.295 -9.611 11.608 1.00 0.00 C ATOM 327 OD1 ASN A 451 5.564 -10.420 10.720 1.00 0.00 O ATOM 328 ND2 ASN A 451 5.256 -9.943 12.893 1.00 0.00 N ATOM 0 H ASN A 451 5.785 -6.528 8.605 1.00 0.00 H new ATOM 0 HA ASN A 451 5.406 -8.637 9.220 1.00 0.00 H new ATOM 0 HB2 ASN A 451 5.803 -7.531 11.619 1.00 0.00 H new ATOM 0 HB3 ASN A 451 4.091 -7.853 11.814 1.00 0.00 H new ATOM 0 HD21 ASN A 451 5.454 -10.902 13.178 1.00 0.00 H new ATOM 0 HD22 ASN A 451 5.028 -9.239 13.595 1.00 0.00 H new ATOM 335 N MET A 452 2.938 -7.846 8.192 1.00 0.00 N ATOM 336 CA MET A 452 1.574 -8.055 7.720 1.00 0.00 C ATOM 337 C MET A 452 1.467 -9.353 6.926 1.00 0.00 C ATOM 338 O MET A 452 0.736 -10.267 7.307 1.00 0.00 O ATOM 339 CB MET A 452 1.125 -6.876 6.855 1.00 0.00 C ATOM 340 CG MET A 452 -0.307 -6.997 6.359 1.00 0.00 C ATOM 341 SD MET A 452 -0.715 -5.764 5.108 1.00 0.00 S ATOM 342 CE MET A 452 -2.503 -5.874 5.095 1.00 0.00 C ATOM 0 H MET A 452 3.555 -7.397 7.515 1.00 0.00 H new ATOM 0 HA MET A 452 0.922 -8.127 8.590 1.00 0.00 H new ATOM 0 HB2 MET A 452 1.225 -5.955 7.430 1.00 0.00 H new ATOM 0 HB3 MET A 452 1.792 -6.790 5.997 1.00 0.00 H new ATOM 0 HG2 MET A 452 -0.461 -7.994 5.945 1.00 0.00 H new ATOM 0 HG3 MET A 452 -0.990 -6.893 7.202 1.00 0.00 H new ATOM 0 HE1 MET A 452 -2.914 -5.044 4.520 1.00 0.00 H new ATOM 0 HE2 MET A 452 -2.806 -6.817 4.639 1.00 0.00 H new ATOM 0 HE3 MET A 452 -2.878 -5.828 6.118 1.00 0.00 H new ATOM 352 N VAL A 453 2.200 -9.427 5.819 1.00 0.00 N ATOM 353 CA VAL A 453 2.188 -10.614 4.972 1.00 0.00 C ATOM 354 C VAL A 453 3.600 -11.007 4.556 1.00 0.00 C ATOM 355 O VAL A 453 4.418 -10.152 4.214 1.00 0.00 O ATOM 356 CB VAL A 453 1.335 -10.393 3.709 1.00 0.00 C ATOM 357 CG1 VAL A 453 -0.132 -10.227 4.077 1.00 0.00 C ATOM 358 CG2 VAL A 453 1.837 -9.186 2.932 1.00 0.00 C ATOM 0 H VAL A 453 2.809 -8.679 5.488 1.00 0.00 H new ATOM 0 HA VAL A 453 1.749 -11.419 5.562 1.00 0.00 H new ATOM 0 HB VAL A 453 1.428 -11.272 3.071 1.00 0.00 H new ATOM 0 HG11 VAL A 453 -0.719 -10.072 3.172 1.00 0.00 H new ATOM 0 HG12 VAL A 453 -0.483 -11.124 4.588 1.00 0.00 H new ATOM 0 HG13 VAL A 453 -0.247 -9.366 4.736 1.00 0.00 H new ATOM 0 HG21 VAL A 453 1.223 -9.045 2.043 1.00 0.00 H new ATOM 0 HG22 VAL A 453 1.776 -8.298 3.560 1.00 0.00 H new ATOM 0 HG23 VAL A 453 2.873 -9.350 2.635 1.00 0.00 H new ATOM 368 N ASP A 454 3.881 -12.305 4.586 1.00 0.00 N ATOM 369 CA ASP A 454 5.195 -12.812 4.210 1.00 0.00 C ATOM 370 C ASP A 454 5.490 -12.522 2.742 1.00 0.00 C ATOM 371 O ASP A 454 4.587 -12.309 1.932 1.00 0.00 O ATOM 372 CB ASP A 454 5.279 -14.317 4.472 1.00 0.00 C ATOM 373 CG ASP A 454 5.649 -14.634 5.908 1.00 0.00 C ATOM 374 OD1 ASP A 454 6.755 -14.242 6.336 1.00 0.00 O ATOM 375 OD2 ASP A 454 4.833 -15.276 6.603 1.00 0.00 O ATOM 0 H ASP A 454 3.216 -13.025 4.867 1.00 0.00 H new ATOM 0 HA ASP A 454 5.941 -12.303 4.820 1.00 0.00 H new ATOM 0 HB2 ASP A 454 4.320 -14.778 4.237 1.00 0.00 H new ATOM 0 HB3 ASP A 454 6.018 -14.759 3.803 1.00 0.00 H new ATOM 380 N PRO A 455 6.784 -12.513 2.388 1.00 0.00 N ATOM 381 CA PRO A 455 7.227 -12.250 1.016 1.00 0.00 C ATOM 382 C PRO A 455 6.874 -13.388 0.064 1.00 0.00 C ATOM 383 O PRO A 455 7.217 -13.351 -1.118 1.00 0.00 O ATOM 384 CB PRO A 455 8.747 -12.120 1.153 1.00 0.00 C ATOM 385 CG PRO A 455 9.086 -12.908 2.371 1.00 0.00 C ATOM 386 CD PRO A 455 7.913 -12.760 3.300 1.00 0.00 C ATOM 0 HA PRO A 455 6.746 -11.367 0.595 1.00 0.00 H new ATOM 0 HB2 PRO A 455 9.259 -12.511 0.273 1.00 0.00 H new ATOM 0 HB3 PRO A 455 9.047 -11.078 1.260 1.00 0.00 H new ATOM 0 HG2 PRO A 455 9.257 -13.955 2.123 1.00 0.00 H new ATOM 0 HG3 PRO A 455 10.000 -12.536 2.834 1.00 0.00 H new ATOM 0 HD2 PRO A 455 7.758 -13.658 3.897 1.00 0.00 H new ATOM 0 HD3 PRO A 455 8.054 -11.934 3.997 1.00 0.00 H new ATOM 394 N LYS A 456 6.187 -14.398 0.586 1.00 0.00 N ATOM 395 CA LYS A 456 5.785 -15.546 -0.217 1.00 0.00 C ATOM 396 C LYS A 456 4.397 -15.334 -0.814 1.00 0.00 C ATOM 397 O LYS A 456 4.007 -16.018 -1.760 1.00 0.00 O ATOM 398 CB LYS A 456 5.796 -16.818 0.634 1.00 0.00 C ATOM 399 CG LYS A 456 4.669 -16.881 1.650 1.00 0.00 C ATOM 400 CD LYS A 456 3.433 -17.548 1.071 1.00 0.00 C ATOM 401 CE LYS A 456 3.474 -19.057 1.259 1.00 0.00 C ATOM 402 NZ LYS A 456 3.334 -19.442 2.690 1.00 0.00 N ATOM 0 H LYS A 456 5.897 -14.445 1.563 1.00 0.00 H new ATOM 0 HA LYS A 456 6.499 -15.655 -1.033 1.00 0.00 H new ATOM 0 HB2 LYS A 456 5.730 -17.685 -0.023 1.00 0.00 H new ATOM 0 HB3 LYS A 456 6.750 -16.886 1.157 1.00 0.00 H new ATOM 0 HG2 LYS A 456 5.002 -17.431 2.530 1.00 0.00 H new ATOM 0 HG3 LYS A 456 4.419 -15.873 1.980 1.00 0.00 H new ATOM 0 HD2 LYS A 456 2.542 -17.145 1.552 1.00 0.00 H new ATOM 0 HD3 LYS A 456 3.356 -17.315 0.009 1.00 0.00 H new ATOM 0 HE2 LYS A 456 2.674 -19.517 0.679 1.00 0.00 H new ATOM 0 HE3 LYS A 456 4.414 -19.446 0.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 456 2.997 -20.424 2.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 456 4.257 -19.361 3.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 456 2.650 -18.811 3.154 1.00 0.00 H new ATOM 416 N ASP A 457 3.658 -14.381 -0.256 1.00 0.00 N ATOM 417 CA ASP A 457 2.314 -14.077 -0.735 1.00 0.00 C ATOM 418 C ASP A 457 2.336 -12.898 -1.702 1.00 0.00 C ATOM 419 O ASP A 457 1.293 -12.331 -2.030 1.00 0.00 O ATOM 420 CB ASP A 457 1.387 -13.771 0.442 1.00 0.00 C ATOM 421 CG ASP A 457 0.764 -15.022 1.029 1.00 0.00 C ATOM 422 OD1 ASP A 457 0.806 -16.076 0.360 1.00 0.00 O ATOM 423 OD2 ASP A 457 0.233 -14.947 2.156 1.00 0.00 O ATOM 0 H ASP A 457 3.967 -13.806 0.528 1.00 0.00 H new ATOM 0 HA ASP A 457 1.937 -14.952 -1.265 1.00 0.00 H new ATOM 0 HB2 ASP A 457 1.949 -13.250 1.217 1.00 0.00 H new ATOM 0 HB3 ASP A 457 0.597 -13.096 0.113 1.00 0.00 H new ATOM 428 N ILE A 458 3.531 -12.532 -2.155 1.00 0.00 N ATOM 429 CA ILE A 458 3.688 -11.420 -3.084 1.00 0.00 C ATOM 430 C ILE A 458 2.924 -11.674 -4.379 1.00 0.00 C ATOM 431 O ILE A 458 3.377 -12.427 -5.242 1.00 0.00 O ATOM 432 CB ILE A 458 5.171 -11.170 -3.416 1.00 0.00 C ATOM 433 CG1 ILE A 458 5.950 -10.824 -2.145 1.00 0.00 C ATOM 434 CG2 ILE A 458 5.303 -10.055 -4.444 1.00 0.00 C ATOM 435 CD1 ILE A 458 5.507 -9.531 -1.498 1.00 0.00 C ATOM 0 H ILE A 458 4.404 -12.990 -1.893 1.00 0.00 H new ATOM 0 HA ILE A 458 3.280 -10.537 -2.592 1.00 0.00 H new ATOM 0 HB ILE A 458 5.591 -12.082 -3.841 1.00 0.00 H new ATOM 0 HG12 ILE A 458 5.838 -11.637 -1.427 1.00 0.00 H new ATOM 0 HG13 ILE A 458 7.011 -10.755 -2.386 1.00 0.00 H new ATOM 0 HG21 ILE A 458 6.357 -9.890 -4.668 1.00 0.00 H new ATOM 0 HG22 ILE A 458 4.778 -10.337 -5.356 1.00 0.00 H new ATOM 0 HG23 ILE A 458 4.869 -9.138 -4.044 1.00 0.00 H new ATOM 0 HD11 ILE A 458 6.102 -9.349 -0.603 1.00 0.00 H new ATOM 0 HD12 ILE A 458 5.645 -8.708 -2.199 1.00 0.00 H new ATOM 0 HD13 ILE A 458 4.454 -9.603 -1.225 1.00 0.00 H new ATOM 447 N ASP A 459 1.765 -11.039 -4.509 1.00 0.00 N ATOM 448 CA ASP A 459 0.938 -11.193 -5.701 1.00 0.00 C ATOM 449 C ASP A 459 0.344 -9.854 -6.127 1.00 0.00 C ATOM 450 O ASP A 459 0.313 -8.901 -5.348 1.00 0.00 O ATOM 451 CB ASP A 459 -0.181 -12.203 -5.444 1.00 0.00 C ATOM 452 CG ASP A 459 0.351 -13.587 -5.126 1.00 0.00 C ATOM 453 OD1 ASP A 459 0.949 -14.214 -6.026 1.00 0.00 O ATOM 454 OD2 ASP A 459 0.168 -14.043 -3.978 1.00 0.00 O ATOM 0 H ASP A 459 1.376 -10.413 -3.804 1.00 0.00 H new ATOM 0 HA ASP A 459 1.571 -11.562 -6.508 1.00 0.00 H new ATOM 0 HB2 ASP A 459 -0.798 -11.855 -4.616 1.00 0.00 H new ATOM 0 HB3 ASP A 459 -0.826 -12.257 -6.321 1.00 0.00 H new ATOM 459 N ASP A 460 -0.126 -9.789 -7.367 1.00 0.00 N ATOM 460 CA ASP A 460 -0.720 -8.567 -7.897 1.00 0.00 C ATOM 461 C ASP A 460 -2.102 -8.329 -7.296 1.00 0.00 C ATOM 462 O ASP A 460 -2.568 -7.193 -7.215 1.00 0.00 O ATOM 463 CB ASP A 460 -0.820 -8.642 -9.421 1.00 0.00 C ATOM 464 CG ASP A 460 -1.334 -9.985 -9.903 1.00 0.00 C ATOM 465 OD1 ASP A 460 -0.523 -10.928 -10.010 1.00 0.00 O ATOM 466 OD2 ASP A 460 -2.549 -10.092 -10.171 1.00 0.00 O ATOM 0 H ASP A 460 -0.107 -10.568 -8.025 1.00 0.00 H new ATOM 0 HA ASP A 460 -0.075 -7.732 -7.623 1.00 0.00 H new ATOM 0 HB2 ASP A 460 -1.483 -7.853 -9.778 1.00 0.00 H new ATOM 0 HB3 ASP A 460 0.162 -8.455 -9.856 1.00 0.00 H new ATOM 471 N ASP A 461 -2.753 -9.409 -6.877 1.00 0.00 N ATOM 472 CA ASP A 461 -4.082 -9.318 -6.283 1.00 0.00 C ATOM 473 C ASP A 461 -4.007 -8.757 -4.867 1.00 0.00 C ATOM 474 O ASP A 461 -4.876 -7.994 -4.443 1.00 0.00 O ATOM 475 CB ASP A 461 -4.751 -10.694 -6.265 1.00 0.00 C ATOM 476 CG ASP A 461 -5.359 -11.059 -7.605 1.00 0.00 C ATOM 477 OD1 ASP A 461 -5.829 -10.143 -8.313 1.00 0.00 O ATOM 478 OD2 ASP A 461 -5.366 -12.260 -7.946 1.00 0.00 O ATOM 0 H ASP A 461 -2.382 -10.357 -6.938 1.00 0.00 H new ATOM 0 HA ASP A 461 -4.680 -8.640 -6.892 1.00 0.00 H new ATOM 0 HB2 ASP A 461 -4.016 -11.449 -5.985 1.00 0.00 H new ATOM 0 HB3 ASP A 461 -5.528 -10.707 -5.501 1.00 0.00 H new ATOM 483 N LEU A 462 -2.964 -9.140 -4.139 1.00 0.00 N ATOM 484 CA LEU A 462 -2.776 -8.676 -2.768 1.00 0.00 C ATOM 485 C LEU A 462 -2.832 -7.153 -2.697 1.00 0.00 C ATOM 486 O LEU A 462 -3.593 -6.588 -1.913 1.00 0.00 O ATOM 487 CB LEU A 462 -1.438 -9.174 -2.219 1.00 0.00 C ATOM 488 CG LEU A 462 -1.173 -8.895 -0.740 1.00 0.00 C ATOM 489 CD1 LEU A 462 -2.109 -9.715 0.134 1.00 0.00 C ATOM 490 CD2 LEU A 462 0.279 -9.189 -0.392 1.00 0.00 C ATOM 0 H LEU A 462 -2.236 -9.770 -4.475 1.00 0.00 H new ATOM 0 HA LEU A 462 -3.585 -9.080 -2.159 1.00 0.00 H new ATOM 0 HB2 LEU A 462 -1.380 -10.250 -2.381 1.00 0.00 H new ATOM 0 HB3 LEU A 462 -0.637 -8.720 -2.803 1.00 0.00 H new ATOM 0 HG LEU A 462 -1.364 -7.839 -0.550 1.00 0.00 H new ATOM 0 HD11 LEU A 462 -1.906 -9.503 1.184 1.00 0.00 H new ATOM 0 HD12 LEU A 462 -3.142 -9.454 -0.095 1.00 0.00 H new ATOM 0 HD13 LEU A 462 -1.951 -10.776 -0.059 1.00 0.00 H new ATOM 0 HD21 LEU A 462 0.448 -8.984 0.665 1.00 0.00 H new ATOM 0 HD22 LEU A 462 0.498 -10.237 -0.598 1.00 0.00 H new ATOM 0 HD23 LEU A 462 0.932 -8.557 -0.993 1.00 0.00 H new ATOM 502 N GLU A 463 -2.022 -6.497 -3.522 1.00 0.00 N ATOM 503 CA GLU A 463 -1.982 -5.039 -3.552 1.00 0.00 C ATOM 504 C GLU A 463 -3.390 -4.455 -3.484 1.00 0.00 C ATOM 505 O GLU A 463 -3.706 -3.671 -2.590 1.00 0.00 O ATOM 506 CB GLU A 463 -1.276 -4.553 -4.819 1.00 0.00 C ATOM 507 CG GLU A 463 -1.148 -3.041 -4.903 1.00 0.00 C ATOM 508 CD GLU A 463 0.016 -2.600 -5.768 1.00 0.00 C ATOM 509 OE1 GLU A 463 -0.078 -2.738 -7.005 1.00 0.00 O ATOM 510 OE2 GLU A 463 1.022 -2.118 -5.207 1.00 0.00 O ATOM 0 H GLU A 463 -1.386 -6.951 -4.177 1.00 0.00 H new ATOM 0 HA GLU A 463 -1.424 -4.698 -2.680 1.00 0.00 H new ATOM 0 HB2 GLU A 463 -0.281 -4.996 -4.863 1.00 0.00 H new ATOM 0 HB3 GLU A 463 -1.824 -4.912 -5.690 1.00 0.00 H new ATOM 0 HG2 GLU A 463 -2.072 -2.624 -5.304 1.00 0.00 H new ATOM 0 HG3 GLU A 463 -1.024 -2.635 -3.899 1.00 0.00 H new ATOM 517 N GLY A 464 -4.231 -4.841 -4.438 1.00 0.00 N ATOM 518 CA GLY A 464 -5.595 -4.346 -4.470 1.00 0.00 C ATOM 519 C GLY A 464 -6.355 -4.659 -3.197 1.00 0.00 C ATOM 520 O GLY A 464 -7.098 -3.820 -2.688 1.00 0.00 O ATOM 0 H GLY A 464 -3.992 -5.488 -5.190 1.00 0.00 H new ATOM 0 HA2 GLY A 464 -5.583 -3.267 -4.627 1.00 0.00 H new ATOM 0 HA3 GLY A 464 -6.118 -4.786 -5.319 1.00 0.00 H new ATOM 524 N GLU A 465 -6.172 -5.871 -2.682 1.00 0.00 N ATOM 525 CA GLU A 465 -6.849 -6.292 -1.462 1.00 0.00 C ATOM 526 C GLU A 465 -6.584 -5.309 -0.325 1.00 0.00 C ATOM 527 O GLU A 465 -7.512 -4.849 0.341 1.00 0.00 O ATOM 528 CB GLU A 465 -6.389 -7.694 -1.055 1.00 0.00 C ATOM 529 CG GLU A 465 -6.665 -8.754 -2.108 1.00 0.00 C ATOM 530 CD GLU A 465 -8.043 -9.369 -1.970 1.00 0.00 C ATOM 531 OE1 GLU A 465 -8.234 -10.202 -1.059 1.00 0.00 O ATOM 532 OE2 GLU A 465 -8.933 -9.018 -2.773 1.00 0.00 O ATOM 0 H GLU A 465 -5.561 -6.578 -3.091 1.00 0.00 H new ATOM 0 HA GLU A 465 -7.921 -6.311 -1.660 1.00 0.00 H new ATOM 0 HB2 GLU A 465 -5.319 -7.670 -0.847 1.00 0.00 H new ATOM 0 HB3 GLU A 465 -6.888 -7.976 -0.128 1.00 0.00 H new ATOM 0 HG2 GLU A 465 -6.567 -8.310 -3.099 1.00 0.00 H new ATOM 0 HG3 GLU A 465 -5.912 -9.539 -2.034 1.00 0.00 H new ATOM 539 N VAL A 466 -5.312 -4.991 -0.109 1.00 0.00 N ATOM 540 CA VAL A 466 -4.924 -4.062 0.945 1.00 0.00 C ATOM 541 C VAL A 466 -5.537 -2.685 0.718 1.00 0.00 C ATOM 542 O VAL A 466 -5.999 -2.036 1.657 1.00 0.00 O ATOM 543 CB VAL A 466 -3.392 -3.922 1.034 1.00 0.00 C ATOM 544 CG1 VAL A 466 -3.010 -2.901 2.096 1.00 0.00 C ATOM 545 CG2 VAL A 466 -2.750 -5.270 1.323 1.00 0.00 C ATOM 0 H VAL A 466 -4.532 -5.364 -0.651 1.00 0.00 H new ATOM 0 HA VAL A 466 -5.299 -4.473 1.882 1.00 0.00 H new ATOM 0 HB VAL A 466 -3.020 -3.567 0.073 1.00 0.00 H new ATOM 0 HG11 VAL A 466 -1.924 -2.815 2.145 1.00 0.00 H new ATOM 0 HG12 VAL A 466 -3.439 -1.932 1.840 1.00 0.00 H new ATOM 0 HG13 VAL A 466 -3.392 -3.223 3.065 1.00 0.00 H new ATOM 0 HG21 VAL A 466 -1.668 -5.152 1.382 1.00 0.00 H new ATOM 0 HG22 VAL A 466 -3.126 -5.656 2.271 1.00 0.00 H new ATOM 0 HG23 VAL A 466 -2.996 -5.969 0.523 1.00 0.00 H new ATOM 555 N THR A 467 -5.540 -2.244 -0.536 1.00 0.00 N ATOM 556 CA THR A 467 -6.096 -0.944 -0.887 1.00 0.00 C ATOM 557 C THR A 467 -7.569 -0.853 -0.504 1.00 0.00 C ATOM 558 O THR A 467 -8.008 0.138 0.078 1.00 0.00 O ATOM 559 CB THR A 467 -5.952 -0.660 -2.394 1.00 0.00 C ATOM 560 OG1 THR A 467 -4.575 -0.745 -2.779 1.00 0.00 O ATOM 561 CG2 THR A 467 -6.496 0.718 -2.740 1.00 0.00 C ATOM 0 H THR A 467 -5.163 -2.769 -1.325 1.00 0.00 H new ATOM 0 HA THR A 467 -5.531 -0.198 -0.328 1.00 0.00 H new ATOM 0 HB THR A 467 -6.528 -1.408 -2.939 1.00 0.00 H new ATOM 0 HG1 THR A 467 -4.286 -1.681 -2.754 1.00 0.00 H new ATOM 0 HG21 THR A 467 -6.383 0.896 -3.809 1.00 0.00 H new ATOM 0 HG22 THR A 467 -7.551 0.770 -2.473 1.00 0.00 H new ATOM 0 HG23 THR A 467 -5.944 1.477 -2.186 1.00 0.00 H new ATOM 569 N GLU A 468 -8.326 -1.895 -0.833 1.00 0.00 N ATOM 570 CA GLU A 468 -9.750 -1.932 -0.522 1.00 0.00 C ATOM 571 C GLU A 468 -9.975 -2.095 0.979 1.00 0.00 C ATOM 572 O GLU A 468 -11.012 -1.696 1.508 1.00 0.00 O ATOM 573 CB GLU A 468 -10.431 -3.075 -1.278 1.00 0.00 C ATOM 574 CG GLU A 468 -9.829 -4.440 -0.988 1.00 0.00 C ATOM 575 CD GLU A 468 -10.648 -5.574 -1.572 1.00 0.00 C ATOM 576 OE1 GLU A 468 -11.120 -5.436 -2.720 1.00 0.00 O ATOM 577 OE2 GLU A 468 -10.818 -6.601 -0.881 1.00 0.00 O ATOM 0 H GLU A 468 -7.977 -2.724 -1.314 1.00 0.00 H new ATOM 0 HA GLU A 468 -10.189 -0.985 -0.837 1.00 0.00 H new ATOM 0 HB2 GLU A 468 -11.489 -3.091 -1.018 1.00 0.00 H new ATOM 0 HB3 GLU A 468 -10.368 -2.880 -2.349 1.00 0.00 H new ATOM 0 HG2 GLU A 468 -8.818 -4.481 -1.393 1.00 0.00 H new ATOM 0 HG3 GLU A 468 -9.746 -4.575 0.090 1.00 0.00 H new ATOM 584 N GLU A 469 -8.996 -2.686 1.657 1.00 0.00 N ATOM 585 CA GLU A 469 -9.089 -2.903 3.096 1.00 0.00 C ATOM 586 C GLU A 469 -8.995 -1.581 3.853 1.00 0.00 C ATOM 587 O GLU A 469 -9.875 -1.243 4.645 1.00 0.00 O ATOM 588 CB GLU A 469 -7.982 -3.850 3.564 1.00 0.00 C ATOM 589 CG GLU A 469 -7.921 -4.018 5.072 1.00 0.00 C ATOM 590 CD GLU A 469 -7.154 -5.258 5.491 1.00 0.00 C ATOM 591 OE1 GLU A 469 -7.738 -6.361 5.441 1.00 0.00 O ATOM 592 OE2 GLU A 469 -5.971 -5.125 5.868 1.00 0.00 O ATOM 0 H GLU A 469 -8.131 -3.022 1.234 1.00 0.00 H new ATOM 0 HA GLU A 469 -10.058 -3.355 3.307 1.00 0.00 H new ATOM 0 HB2 GLU A 469 -8.133 -4.827 3.104 1.00 0.00 H new ATOM 0 HB3 GLU A 469 -7.022 -3.476 3.210 1.00 0.00 H new ATOM 0 HG2 GLU A 469 -7.451 -3.139 5.513 1.00 0.00 H new ATOM 0 HG3 GLU A 469 -8.935 -4.071 5.469 1.00 0.00 H new ATOM 599 N CYS A 470 -7.922 -0.839 3.604 1.00 0.00 N ATOM 600 CA CYS A 470 -7.711 0.446 4.263 1.00 0.00 C ATOM 601 C CYS A 470 -8.902 1.372 4.042 1.00 0.00 C ATOM 602 O CYS A 470 -9.251 2.170 4.911 1.00 0.00 O ATOM 603 CB CYS A 470 -6.433 1.105 3.743 1.00 0.00 C ATOM 604 SG CYS A 470 -4.918 0.209 4.157 1.00 0.00 S ATOM 0 H CYS A 470 -7.185 -1.104 2.951 1.00 0.00 H new ATOM 0 HA CYS A 470 -7.608 0.266 5.333 1.00 0.00 H new ATOM 0 HB2 CYS A 470 -6.501 1.200 2.659 1.00 0.00 H new ATOM 0 HB3 CYS A 470 -6.367 2.115 4.148 1.00 0.00 H new ATOM 0 HG CYS A 470 -4.028 0.409 3.230 1.00 0.00 H new ATOM 610 N GLY A 471 -9.522 1.261 2.871 1.00 0.00 N ATOM 611 CA GLY A 471 -10.667 2.096 2.556 1.00 0.00 C ATOM 612 C GLY A 471 -11.638 2.210 3.714 1.00 0.00 C ATOM 613 O GLY A 471 -12.220 3.271 3.944 1.00 0.00 O ATOM 0 H GLY A 471 -9.252 0.608 2.135 1.00 0.00 H new ATOM 0 HA2 GLY A 471 -10.321 3.091 2.277 1.00 0.00 H new ATOM 0 HA3 GLY A 471 -11.186 1.684 1.690 1.00 0.00 H new ATOM 617 N LYS A 472 -11.815 1.116 4.446 1.00 0.00 N ATOM 618 CA LYS A 472 -12.722 1.096 5.587 1.00 0.00 C ATOM 619 C LYS A 472 -12.501 2.314 6.479 1.00 0.00 C ATOM 620 O LYS A 472 -13.455 2.961 6.911 1.00 0.00 O ATOM 621 CB LYS A 472 -12.526 -0.186 6.399 1.00 0.00 C ATOM 622 CG LYS A 472 -13.330 -1.365 5.878 1.00 0.00 C ATOM 623 CD LYS A 472 -12.670 -1.996 4.663 1.00 0.00 C ATOM 624 CE LYS A 472 -13.551 -3.072 4.047 1.00 0.00 C ATOM 625 NZ LYS A 472 -13.233 -3.293 2.609 1.00 0.00 N ATOM 0 H LYS A 472 -11.341 0.230 4.269 1.00 0.00 H new ATOM 0 HA LYS A 472 -13.743 1.125 5.208 1.00 0.00 H new ATOM 0 HB2 LYS A 472 -11.468 -0.449 6.397 1.00 0.00 H new ATOM 0 HB3 LYS A 472 -12.805 0.004 7.435 1.00 0.00 H new ATOM 0 HG2 LYS A 472 -13.435 -2.112 6.665 1.00 0.00 H new ATOM 0 HG3 LYS A 472 -14.335 -1.034 5.617 1.00 0.00 H new ATOM 0 HD2 LYS A 472 -12.461 -1.226 3.920 1.00 0.00 H new ATOM 0 HD3 LYS A 472 -11.712 -2.429 4.952 1.00 0.00 H new ATOM 0 HE2 LYS A 472 -13.422 -4.005 4.595 1.00 0.00 H new ATOM 0 HE3 LYS A 472 -14.598 -2.786 4.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 472 -14.067 -3.066 2.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 472 -12.440 -2.680 2.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 472 -12.970 -4.288 2.461 1.00 0.00 H new ATOM 639 N PHE A 473 -11.237 2.622 6.750 1.00 0.00 N ATOM 640 CA PHE A 473 -10.891 3.762 7.589 1.00 0.00 C ATOM 641 C PHE A 473 -11.275 5.074 6.911 1.00 0.00 C ATOM 642 O PHE A 473 -11.891 5.945 7.523 1.00 0.00 O ATOM 643 CB PHE A 473 -9.393 3.757 7.902 1.00 0.00 C ATOM 644 CG PHE A 473 -8.881 2.421 8.361 1.00 0.00 C ATOM 645 CD1 PHE A 473 -9.220 1.927 9.610 1.00 0.00 C ATOM 646 CD2 PHE A 473 -8.061 1.661 7.543 1.00 0.00 C ATOM 647 CE1 PHE A 473 -8.751 0.698 10.036 1.00 0.00 C ATOM 648 CE2 PHE A 473 -7.590 0.431 7.963 1.00 0.00 C ATOM 649 CZ PHE A 473 -7.934 -0.050 9.211 1.00 0.00 C ATOM 0 H PHE A 473 -10.435 2.097 6.400 1.00 0.00 H new ATOM 0 HA PHE A 473 -11.450 3.677 8.521 1.00 0.00 H new ATOM 0 HB2 PHE A 473 -8.843 4.062 7.012 1.00 0.00 H new ATOM 0 HB3 PHE A 473 -9.188 4.500 8.673 1.00 0.00 H new ATOM 0 HD1 PHE A 473 -9.858 2.509 10.259 1.00 0.00 H new ATOM 0 HD2 PHE A 473 -7.787 2.033 6.567 1.00 0.00 H new ATOM 0 HE1 PHE A 473 -9.023 0.324 11.012 1.00 0.00 H new ATOM 0 HE2 PHE A 473 -6.953 -0.154 7.315 1.00 0.00 H new ATOM 0 HZ PHE A 473 -7.565 -1.010 9.541 1.00 0.00 H new ATOM 659 N GLY A 474 -10.906 5.207 5.640 1.00 0.00 N ATOM 660 CA GLY A 474 -11.220 6.414 4.899 1.00 0.00 C ATOM 661 C GLY A 474 -10.800 6.328 3.445 1.00 0.00 C ATOM 662 O GLY A 474 -10.706 5.237 2.883 1.00 0.00 O ATOM 0 H GLY A 474 -10.395 4.500 5.111 1.00 0.00 H new ATOM 0 HA2 GLY A 474 -12.292 6.601 4.954 1.00 0.00 H new ATOM 0 HA3 GLY A 474 -10.724 7.264 5.368 1.00 0.00 H new ATOM 666 N ALA A 475 -10.548 7.481 2.834 1.00 0.00 N ATOM 667 CA ALA A 475 -10.135 7.530 1.437 1.00 0.00 C ATOM 668 C ALA A 475 -8.643 7.252 1.295 1.00 0.00 C ATOM 669 O ALA A 475 -7.808 8.073 1.676 1.00 0.00 O ATOM 670 CB ALA A 475 -10.481 8.883 0.833 1.00 0.00 C ATOM 0 H ALA A 475 -10.623 8.393 3.284 1.00 0.00 H new ATOM 0 HA ALA A 475 -10.675 6.753 0.896 1.00 0.00 H new ATOM 0 HB1 ALA A 475 -10.167 8.907 -0.211 1.00 0.00 H new ATOM 0 HB2 ALA A 475 -11.558 9.043 0.892 1.00 0.00 H new ATOM 0 HB3 ALA A 475 -9.966 9.670 1.384 1.00 0.00 H new ATOM 676 N VAL A 476 -8.312 6.087 0.745 1.00 0.00 N ATOM 677 CA VAL A 476 -6.920 5.701 0.553 1.00 0.00 C ATOM 678 C VAL A 476 -6.263 6.536 -0.540 1.00 0.00 C ATOM 679 O VAL A 476 -6.822 6.709 -1.623 1.00 0.00 O ATOM 680 CB VAL A 476 -6.797 4.209 0.188 1.00 0.00 C ATOM 681 CG1 VAL A 476 -5.337 3.821 0.011 1.00 0.00 C ATOM 682 CG2 VAL A 476 -7.462 3.345 1.249 1.00 0.00 C ATOM 0 H VAL A 476 -8.990 5.395 0.425 1.00 0.00 H new ATOM 0 HA VAL A 476 -6.409 5.880 1.499 1.00 0.00 H new ATOM 0 HB VAL A 476 -7.310 4.041 -0.759 1.00 0.00 H new ATOM 0 HG11 VAL A 476 -5.270 2.764 -0.246 1.00 0.00 H new ATOM 0 HG12 VAL A 476 -4.896 4.418 -0.788 1.00 0.00 H new ATOM 0 HG13 VAL A 476 -4.797 4.003 0.940 1.00 0.00 H new ATOM 0 HG21 VAL A 476 -7.366 2.294 0.975 1.00 0.00 H new ATOM 0 HG22 VAL A 476 -6.980 3.515 2.212 1.00 0.00 H new ATOM 0 HG23 VAL A 476 -8.518 3.606 1.321 1.00 0.00 H new ATOM 692 N ASN A 477 -5.074 7.052 -0.250 1.00 0.00 N ATOM 693 CA ASN A 477 -4.340 7.870 -1.209 1.00 0.00 C ATOM 694 C ASN A 477 -3.518 6.997 -2.152 1.00 0.00 C ATOM 695 O ASN A 477 -3.696 7.042 -3.369 1.00 0.00 O ATOM 696 CB ASN A 477 -3.424 8.853 -0.477 1.00 0.00 C ATOM 697 CG ASN A 477 -3.183 10.121 -1.272 1.00 0.00 C ATOM 698 OD1 ASN A 477 -2.996 10.078 -2.488 1.00 0.00 O ATOM 699 ND2 ASN A 477 -3.187 11.259 -0.587 1.00 0.00 N ATOM 0 H ASN A 477 -4.597 6.918 0.642 1.00 0.00 H new ATOM 0 HA ASN A 477 -5.064 8.430 -1.800 1.00 0.00 H new ATOM 0 HB2 ASN A 477 -3.866 9.110 0.486 1.00 0.00 H new ATOM 0 HB3 ASN A 477 -2.469 8.370 -0.270 1.00 0.00 H new ATOM 0 HD21 ASN A 477 -3.031 12.145 -1.068 1.00 0.00 H new ATOM 0 HD22 ASN A 477 -3.346 11.247 0.420 1.00 0.00 H new ATOM 706 N ARG A 478 -2.618 6.203 -1.581 1.00 0.00 N ATOM 707 CA ARG A 478 -1.768 5.319 -2.370 1.00 0.00 C ATOM 708 C ARG A 478 -1.130 4.249 -1.490 1.00 0.00 C ATOM 709 O ARG A 478 -1.136 4.354 -0.263 1.00 0.00 O ATOM 710 CB ARG A 478 -0.680 6.126 -3.082 1.00 0.00 C ATOM 711 CG ARG A 478 0.383 6.674 -2.144 1.00 0.00 C ATOM 712 CD ARG A 478 1.248 7.719 -2.831 1.00 0.00 C ATOM 713 NE ARG A 478 2.413 7.124 -3.480 1.00 0.00 N ATOM 714 CZ ARG A 478 3.279 7.816 -4.213 1.00 0.00 C ATOM 715 NH1 ARG A 478 3.111 9.119 -4.389 1.00 0.00 N ATOM 716 NH2 ARG A 478 4.315 7.203 -4.771 1.00 0.00 N ATOM 0 H ARG A 478 -2.459 6.154 -0.575 1.00 0.00 H new ATOM 0 HA ARG A 478 -2.392 4.826 -3.115 1.00 0.00 H new ATOM 0 HB2 ARG A 478 -0.202 5.494 -3.830 1.00 0.00 H new ATOM 0 HB3 ARG A 478 -1.145 6.955 -3.615 1.00 0.00 H new ATOM 0 HG2 ARG A 478 -0.095 7.114 -1.269 1.00 0.00 H new ATOM 0 HG3 ARG A 478 1.011 5.858 -1.788 1.00 0.00 H new ATOM 0 HD2 ARG A 478 0.653 8.252 -3.572 1.00 0.00 H new ATOM 0 HD3 ARG A 478 1.578 8.455 -2.098 1.00 0.00 H new ATOM 0 HE ARG A 478 2.571 6.123 -3.364 1.00 0.00 H new ATOM 0 HH11 ARG A 478 2.316 9.593 -3.961 1.00 0.00 H new ATOM 0 HH12 ARG A 478 3.777 9.648 -4.952 1.00 0.00 H new ATOM 0 HH21 ARG A 478 4.447 6.200 -4.637 1.00 0.00 H new ATOM 0 HH22 ARG A 478 4.980 7.734 -5.334 1.00 0.00 H new ATOM 730 N VAL A 479 -0.580 3.219 -2.124 1.00 0.00 N ATOM 731 CA VAL A 479 0.063 2.129 -1.399 1.00 0.00 C ATOM 732 C VAL A 479 1.372 1.722 -2.067 1.00 0.00 C ATOM 733 O VAL A 479 1.471 1.691 -3.294 1.00 0.00 O ATOM 734 CB VAL A 479 -0.857 0.898 -1.305 1.00 0.00 C ATOM 735 CG1 VAL A 479 -0.122 -0.271 -0.668 1.00 0.00 C ATOM 736 CG2 VAL A 479 -2.118 1.235 -0.523 1.00 0.00 C ATOM 0 H VAL A 479 -0.567 3.116 -3.139 1.00 0.00 H new ATOM 0 HA VAL A 479 0.270 2.496 -0.394 1.00 0.00 H new ATOM 0 HB VAL A 479 -1.149 0.606 -2.314 1.00 0.00 H new ATOM 0 HG11 VAL A 479 -0.788 -1.132 -0.610 1.00 0.00 H new ATOM 0 HG12 VAL A 479 0.749 -0.526 -1.272 1.00 0.00 H new ATOM 0 HG13 VAL A 479 0.201 0.006 0.336 1.00 0.00 H new ATOM 0 HG21 VAL A 479 -2.757 0.354 -0.466 1.00 0.00 H new ATOM 0 HG22 VAL A 479 -1.848 1.553 0.484 1.00 0.00 H new ATOM 0 HG23 VAL A 479 -2.654 2.040 -1.026 1.00 0.00 H new ATOM 746 N ILE A 480 2.373 1.410 -1.251 1.00 0.00 N ATOM 747 CA ILE A 480 3.676 1.003 -1.763 1.00 0.00 C ATOM 748 C ILE A 480 4.196 -0.227 -1.027 1.00 0.00 C ATOM 749 O ILE A 480 4.160 -0.287 0.203 1.00 0.00 O ATOM 750 CB ILE A 480 4.710 2.137 -1.639 1.00 0.00 C ATOM 751 CG1 ILE A 480 4.265 3.354 -2.453 1.00 0.00 C ATOM 752 CG2 ILE A 480 6.079 1.659 -2.097 1.00 0.00 C ATOM 753 CD1 ILE A 480 4.885 4.653 -1.988 1.00 0.00 C ATOM 0 H ILE A 480 2.307 1.431 -0.233 1.00 0.00 H new ATOM 0 HA ILE A 480 3.539 0.762 -2.817 1.00 0.00 H new ATOM 0 HB ILE A 480 4.781 2.430 -0.592 1.00 0.00 H new ATOM 0 HG12 ILE A 480 4.521 3.193 -3.500 1.00 0.00 H new ATOM 0 HG13 ILE A 480 3.180 3.439 -2.399 1.00 0.00 H new ATOM 0 HG21 ILE A 480 6.799 2.472 -2.003 1.00 0.00 H new ATOM 0 HG22 ILE A 480 6.397 0.820 -1.478 1.00 0.00 H new ATOM 0 HG23 ILE A 480 6.024 1.342 -3.138 1.00 0.00 H new ATOM 0 HD11 ILE A 480 4.524 5.472 -2.611 1.00 0.00 H new ATOM 0 HD12 ILE A 480 4.608 4.837 -0.950 1.00 0.00 H new ATOM 0 HD13 ILE A 480 5.970 4.587 -2.068 1.00 0.00 H new ATOM 765 N ILE A 481 4.681 -1.204 -1.786 1.00 0.00 N ATOM 766 CA ILE A 481 5.211 -2.431 -1.205 1.00 0.00 C ATOM 767 C ILE A 481 6.734 -2.462 -1.283 1.00 0.00 C ATOM 768 O ILE A 481 7.306 -2.675 -2.352 1.00 0.00 O ATOM 769 CB ILE A 481 4.646 -3.678 -1.909 1.00 0.00 C ATOM 770 CG1 ILE A 481 3.121 -3.710 -1.790 1.00 0.00 C ATOM 771 CG2 ILE A 481 5.255 -4.941 -1.320 1.00 0.00 C ATOM 772 CD1 ILE A 481 2.455 -4.612 -2.806 1.00 0.00 C ATOM 0 H ILE A 481 4.718 -1.169 -2.805 1.00 0.00 H new ATOM 0 HA ILE A 481 4.902 -2.444 -0.160 1.00 0.00 H new ATOM 0 HB ILE A 481 4.909 -3.631 -2.966 1.00 0.00 H new ATOM 0 HG12 ILE A 481 2.850 -4.042 -0.788 1.00 0.00 H new ATOM 0 HG13 ILE A 481 2.734 -2.698 -1.906 1.00 0.00 H new ATOM 0 HG21 ILE A 481 4.845 -5.814 -1.828 1.00 0.00 H new ATOM 0 HG22 ILE A 481 6.337 -4.919 -1.452 1.00 0.00 H new ATOM 0 HG23 ILE A 481 5.020 -4.997 -0.257 1.00 0.00 H new ATOM 0 HD11 ILE A 481 1.375 -4.586 -2.663 1.00 0.00 H new ATOM 0 HD12 ILE A 481 2.696 -4.268 -3.812 1.00 0.00 H new ATOM 0 HD13 ILE A 481 2.814 -5.633 -2.676 1.00 0.00 H new ATOM 784 N TYR A 482 7.384 -2.251 -0.144 1.00 0.00 N ATOM 785 CA TYR A 482 8.841 -2.255 -0.084 1.00 0.00 C ATOM 786 C TYR A 482 9.353 -3.500 0.634 1.00 0.00 C ATOM 787 O TYR A 482 8.893 -3.833 1.726 1.00 0.00 O ATOM 788 CB TYR A 482 9.346 -0.999 0.628 1.00 0.00 C ATOM 789 CG TYR A 482 10.769 -0.633 0.272 1.00 0.00 C ATOM 790 CD1 TYR A 482 11.843 -1.331 0.811 1.00 0.00 C ATOM 791 CD2 TYR A 482 11.040 0.411 -0.604 1.00 0.00 C ATOM 792 CE1 TYR A 482 13.145 -0.999 0.490 1.00 0.00 C ATOM 793 CE2 TYR A 482 12.339 0.749 -0.933 1.00 0.00 C ATOM 794 CZ TYR A 482 13.388 0.041 -0.383 1.00 0.00 C ATOM 795 OH TYR A 482 14.683 0.374 -0.707 1.00 0.00 O ATOM 0 H TYR A 482 6.925 -2.075 0.750 1.00 0.00 H new ATOM 0 HA TYR A 482 9.221 -2.264 -1.105 1.00 0.00 H new ATOM 0 HB2 TYR A 482 8.692 -0.163 0.380 1.00 0.00 H new ATOM 0 HB3 TYR A 482 9.277 -1.149 1.705 1.00 0.00 H new ATOM 0 HD1 TYR A 482 11.656 -2.147 1.493 1.00 0.00 H new ATOM 0 HD2 TYR A 482 10.221 0.968 -1.035 1.00 0.00 H new ATOM 0 HE1 TYR A 482 13.968 -1.551 0.920 1.00 0.00 H new ATOM 0 HE2 TYR A 482 12.532 1.563 -1.617 1.00 0.00 H new ATOM 0 HH TYR A 482 14.680 1.127 -1.334 1.00 0.00 H new ATOM 805 N GLN A 483 10.308 -4.184 0.011 1.00 0.00 N ATOM 806 CA GLN A 483 10.883 -5.392 0.590 1.00 0.00 C ATOM 807 C GLN A 483 12.371 -5.495 0.268 1.00 0.00 C ATOM 808 O GLN A 483 12.799 -5.174 -0.840 1.00 0.00 O ATOM 809 CB GLN A 483 10.150 -6.630 0.071 1.00 0.00 C ATOM 810 CG GLN A 483 10.326 -6.860 -1.422 1.00 0.00 C ATOM 811 CD GLN A 483 9.231 -7.727 -2.012 1.00 0.00 C ATOM 812 OE1 GLN A 483 9.132 -8.962 -1.534 1.00 0.00 O flip ATOM 813 NE2 GLN A 483 8.483 -7.292 -2.887 1.00 0.00 N flip ATOM 0 H GLN A 483 10.699 -3.922 -0.894 1.00 0.00 H new ATOM 0 HA GLN A 483 10.767 -5.337 1.672 1.00 0.00 H new ATOM 0 HB2 GLN A 483 10.509 -7.507 0.610 1.00 0.00 H new ATOM 0 HB3 GLN A 483 9.087 -6.532 0.292 1.00 0.00 H new ATOM 0 HG2 GLN A 483 10.339 -5.898 -1.935 1.00 0.00 H new ATOM 0 HG3 GLN A 483 11.293 -7.330 -1.602 1.00 0.00 H new ATOM 0 HE21 GLN A 483 8.595 -6.336 -3.225 1.00 0.00 H new ATOM 0 HE22 GLN A 483 7.751 -7.887 -3.274 1.00 0.00 H new ATOM 822 N GLU A 484 13.153 -5.944 1.245 1.00 0.00 N ATOM 823 CA GLU A 484 14.593 -6.087 1.065 1.00 0.00 C ATOM 824 C GLU A 484 15.186 -7.001 2.133 1.00 0.00 C ATOM 825 O GLU A 484 14.612 -7.174 3.208 1.00 0.00 O ATOM 826 CB GLU A 484 15.274 -4.718 1.113 1.00 0.00 C ATOM 827 CG GLU A 484 16.671 -4.712 0.517 1.00 0.00 C ATOM 828 CD GLU A 484 16.664 -4.896 -0.989 1.00 0.00 C ATOM 829 OE1 GLU A 484 16.693 -6.059 -1.444 1.00 0.00 O ATOM 830 OE2 GLU A 484 16.629 -3.878 -1.711 1.00 0.00 O ATOM 0 H GLU A 484 12.814 -6.215 2.168 1.00 0.00 H new ATOM 0 HA GLU A 484 14.769 -6.537 0.088 1.00 0.00 H new ATOM 0 HB2 GLU A 484 14.657 -3.996 0.578 1.00 0.00 H new ATOM 0 HB3 GLU A 484 15.329 -4.385 2.149 1.00 0.00 H new ATOM 0 HG2 GLU A 484 17.162 -3.770 0.762 1.00 0.00 H new ATOM 0 HG3 GLU A 484 17.260 -5.507 0.974 1.00 0.00 H new ATOM 837 N LYS A 485 16.341 -7.585 1.829 1.00 0.00 N ATOM 838 CA LYS A 485 17.014 -8.480 2.761 1.00 0.00 C ATOM 839 C LYS A 485 17.852 -7.693 3.764 1.00 0.00 C ATOM 840 O LYS A 485 18.503 -6.712 3.406 1.00 0.00 O ATOM 841 CB LYS A 485 17.904 -9.466 2.001 1.00 0.00 C ATOM 842 CG LYS A 485 18.373 -10.639 2.845 1.00 0.00 C ATOM 843 CD LYS A 485 18.585 -11.884 2.000 1.00 0.00 C ATOM 844 CE LYS A 485 19.959 -11.886 1.347 1.00 0.00 C ATOM 845 NZ LYS A 485 19.962 -11.136 0.060 1.00 0.00 N ATOM 0 H LYS A 485 16.830 -7.454 0.943 1.00 0.00 H new ATOM 0 HA LYS A 485 16.251 -9.034 3.307 1.00 0.00 H new ATOM 0 HB2 LYS A 485 17.356 -9.846 1.138 1.00 0.00 H new ATOM 0 HB3 LYS A 485 18.775 -8.935 1.617 1.00 0.00 H new ATOM 0 HG2 LYS A 485 19.304 -10.377 3.349 1.00 0.00 H new ATOM 0 HG3 LYS A 485 17.637 -10.846 3.622 1.00 0.00 H new ATOM 0 HD2 LYS A 485 18.476 -12.771 2.624 1.00 0.00 H new ATOM 0 HD3 LYS A 485 17.815 -11.938 1.230 1.00 0.00 H new ATOM 0 HE2 LYS A 485 20.685 -11.442 2.028 1.00 0.00 H new ATOM 0 HE3 LYS A 485 20.275 -12.914 1.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 485 20.612 -11.597 -0.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 485 19.002 -11.128 -0.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 485 20.274 -10.158 0.229 1.00 0.00 H new ATOM 950 N GLU A 493 16.838 -13.404 6.541 1.00 0.00 N ATOM 951 CA GLU A 493 15.435 -13.039 6.694 1.00 0.00 C ATOM 952 C GLU A 493 15.034 -11.978 5.673 1.00 0.00 C ATOM 953 O GLU A 493 15.877 -11.227 5.180 1.00 0.00 O ATOM 954 CB GLU A 493 15.170 -12.526 8.111 1.00 0.00 C ATOM 955 CG GLU A 493 13.706 -12.224 8.385 1.00 0.00 C ATOM 956 CD GLU A 493 12.838 -13.466 8.353 1.00 0.00 C ATOM 957 OE1 GLU A 493 12.340 -13.816 7.262 1.00 0.00 O ATOM 958 OE2 GLU A 493 12.656 -14.090 9.420 1.00 0.00 O ATOM 0 HA GLU A 493 14.833 -13.931 6.520 1.00 0.00 H new ATOM 0 HB2 GLU A 493 15.520 -13.268 8.828 1.00 0.00 H new ATOM 0 HB3 GLU A 493 15.756 -11.622 8.277 1.00 0.00 H new ATOM 0 HG2 GLU A 493 13.614 -11.746 9.360 1.00 0.00 H new ATOM 0 HG3 GLU A 493 13.341 -11.511 7.645 1.00 0.00 H new ATOM 965 N ILE A 494 13.744 -11.922 5.362 1.00 0.00 N ATOM 966 CA ILE A 494 13.231 -10.952 4.402 1.00 0.00 C ATOM 967 C ILE A 494 12.007 -10.228 4.952 1.00 0.00 C ATOM 968 O ILE A 494 10.925 -10.806 5.054 1.00 0.00 O ATOM 969 CB ILE A 494 12.859 -11.625 3.067 1.00 0.00 C ATOM 970 CG1 ILE A 494 13.988 -12.549 2.604 1.00 0.00 C ATOM 971 CG2 ILE A 494 12.560 -10.574 2.009 1.00 0.00 C ATOM 972 CD1 ILE A 494 15.245 -11.811 2.200 1.00 0.00 C ATOM 0 H ILE A 494 13.034 -12.537 5.761 1.00 0.00 H new ATOM 0 HA ILE A 494 14.028 -10.230 4.226 1.00 0.00 H new ATOM 0 HB ILE A 494 11.962 -12.226 3.218 1.00 0.00 H new ATOM 0 HG12 ILE A 494 14.228 -13.247 3.406 1.00 0.00 H new ATOM 0 HG13 ILE A 494 13.638 -13.143 1.760 1.00 0.00 H new ATOM 0 HG21 ILE A 494 12.299 -11.065 1.072 1.00 0.00 H new ATOM 0 HG22 ILE A 494 11.726 -9.953 2.338 1.00 0.00 H new ATOM 0 HG23 ILE A 494 13.440 -9.949 1.858 1.00 0.00 H new ATOM 0 HD11 ILE A 494 16.002 -12.528 1.883 1.00 0.00 H new ATOM 0 HD12 ILE A 494 15.020 -11.133 1.376 1.00 0.00 H new ATOM 0 HD13 ILE A 494 15.620 -11.239 3.049 1.00 0.00 H new ATOM 984 N ILE A 495 12.186 -8.959 5.302 1.00 0.00 N ATOM 985 CA ILE A 495 11.095 -8.154 5.839 1.00 0.00 C ATOM 986 C ILE A 495 10.307 -7.481 4.721 1.00 0.00 C ATOM 987 O ILE A 495 10.776 -7.386 3.586 1.00 0.00 O ATOM 988 CB ILE A 495 11.615 -7.075 6.807 1.00 0.00 C ATOM 989 CG1 ILE A 495 12.379 -5.995 6.038 1.00 0.00 C ATOM 990 CG2 ILE A 495 12.502 -7.702 7.872 1.00 0.00 C ATOM 991 CD1 ILE A 495 11.478 -5.004 5.333 1.00 0.00 C ATOM 0 H ILE A 495 13.075 -8.466 5.224 1.00 0.00 H new ATOM 0 HA ILE A 495 10.440 -8.834 6.384 1.00 0.00 H new ATOM 0 HB ILE A 495 10.762 -6.609 7.301 1.00 0.00 H new ATOM 0 HG12 ILE A 495 13.027 -5.457 6.730 1.00 0.00 H new ATOM 0 HG13 ILE A 495 13.026 -6.473 5.302 1.00 0.00 H new ATOM 0 HG21 ILE A 495 12.862 -6.927 8.548 1.00 0.00 H new ATOM 0 HG22 ILE A 495 11.929 -8.438 8.436 1.00 0.00 H new ATOM 0 HG23 ILE A 495 13.352 -8.191 7.396 1.00 0.00 H new ATOM 0 HD11 ILE A 495 12.087 -4.268 4.809 1.00 0.00 H new ATOM 0 HD12 ILE A 495 10.848 -5.531 4.616 1.00 0.00 H new ATOM 0 HD13 ILE A 495 10.849 -4.499 6.066 1.00 0.00 H new ATOM 1003 N VAL A 496 9.106 -7.014 5.048 1.00 0.00 N ATOM 1004 CA VAL A 496 8.253 -6.347 4.073 1.00 0.00 C ATOM 1005 C VAL A 496 7.552 -5.142 4.689 1.00 0.00 C ATOM 1006 O VAL A 496 6.613 -5.289 5.472 1.00 0.00 O ATOM 1007 CB VAL A 496 7.193 -7.308 3.503 1.00 0.00 C ATOM 1008 CG1 VAL A 496 6.270 -6.577 2.540 1.00 0.00 C ATOM 1009 CG2 VAL A 496 7.860 -8.492 2.820 1.00 0.00 C ATOM 0 H VAL A 496 8.702 -7.086 5.982 1.00 0.00 H new ATOM 0 HA VAL A 496 8.901 -6.012 3.263 1.00 0.00 H new ATOM 0 HB VAL A 496 6.590 -7.686 4.329 1.00 0.00 H new ATOM 0 HG11 VAL A 496 5.528 -7.273 2.148 1.00 0.00 H new ATOM 0 HG12 VAL A 496 5.765 -5.766 3.065 1.00 0.00 H new ATOM 0 HG13 VAL A 496 6.854 -6.168 1.716 1.00 0.00 H new ATOM 0 HG21 VAL A 496 7.096 -9.161 2.423 1.00 0.00 H new ATOM 0 HG22 VAL A 496 8.489 -8.135 2.004 1.00 0.00 H new ATOM 0 HG23 VAL A 496 8.474 -9.030 3.542 1.00 0.00 H new ATOM 1019 N LYS A 497 8.013 -3.948 4.330 1.00 0.00 N ATOM 1020 CA LYS A 497 7.429 -2.716 4.846 1.00 0.00 C ATOM 1021 C LYS A 497 6.393 -2.156 3.876 1.00 0.00 C ATOM 1022 O LYS A 497 6.722 -1.783 2.750 1.00 0.00 O ATOM 1023 CB LYS A 497 8.523 -1.675 5.096 1.00 0.00 C ATOM 1024 CG LYS A 497 8.025 -0.426 5.802 1.00 0.00 C ATOM 1025 CD LYS A 497 9.127 0.232 6.616 1.00 0.00 C ATOM 1026 CE LYS A 497 10.064 1.042 5.733 1.00 0.00 C ATOM 1027 NZ LYS A 497 11.442 1.100 6.295 1.00 0.00 N ATOM 0 H LYS A 497 8.789 -3.808 3.684 1.00 0.00 H new ATOM 0 HA LYS A 497 6.932 -2.946 5.788 1.00 0.00 H new ATOM 0 HB2 LYS A 497 9.314 -2.128 5.693 1.00 0.00 H new ATOM 0 HB3 LYS A 497 8.967 -1.390 4.142 1.00 0.00 H new ATOM 0 HG2 LYS A 497 7.644 0.281 5.066 1.00 0.00 H new ATOM 0 HG3 LYS A 497 7.193 -0.684 6.457 1.00 0.00 H new ATOM 0 HD2 LYS A 497 8.685 0.882 7.371 1.00 0.00 H new ATOM 0 HD3 LYS A 497 9.695 -0.532 7.146 1.00 0.00 H new ATOM 0 HE2 LYS A 497 10.096 0.601 4.737 1.00 0.00 H new ATOM 0 HE3 LYS A 497 9.674 2.054 5.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 497 12.051 1.661 5.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 497 11.415 1.544 7.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 497 11.824 0.136 6.378 1.00 0.00 H new ATOM 1041 N ILE A 498 5.143 -2.101 4.321 1.00 0.00 N ATOM 1042 CA ILE A 498 4.060 -1.584 3.492 1.00 0.00 C ATOM 1043 C ILE A 498 3.733 -0.139 3.853 1.00 0.00 C ATOM 1044 O ILE A 498 3.758 0.241 5.024 1.00 0.00 O ATOM 1045 CB ILE A 498 2.786 -2.438 3.635 1.00 0.00 C ATOM 1046 CG1 ILE A 498 3.067 -3.885 3.225 1.00 0.00 C ATOM 1047 CG2 ILE A 498 1.660 -1.853 2.795 1.00 0.00 C ATOM 1048 CD1 ILE A 498 2.039 -4.869 3.738 1.00 0.00 C ATOM 0 H ILE A 498 4.854 -2.408 5.250 1.00 0.00 H new ATOM 0 HA ILE A 498 4.404 -1.629 2.459 1.00 0.00 H new ATOM 0 HB ILE A 498 2.476 -2.430 4.680 1.00 0.00 H new ATOM 0 HG12 ILE A 498 3.104 -3.945 2.137 1.00 0.00 H new ATOM 0 HG13 ILE A 498 4.051 -4.174 3.594 1.00 0.00 H new ATOM 0 HG21 ILE A 498 0.766 -2.467 2.906 1.00 0.00 H new ATOM 0 HG22 ILE A 498 1.446 -0.838 3.129 1.00 0.00 H new ATOM 0 HG23 ILE A 498 1.960 -1.835 1.747 1.00 0.00 H new ATOM 0 HD11 ILE A 498 2.302 -5.874 3.409 1.00 0.00 H new ATOM 0 HD12 ILE A 498 2.017 -4.838 4.827 1.00 0.00 H new ATOM 0 HD13 ILE A 498 1.056 -4.605 3.348 1.00 0.00 H new ATOM 1060 N PHE A 499 3.425 0.663 2.839 1.00 0.00 N ATOM 1061 CA PHE A 499 3.092 2.067 3.048 1.00 0.00 C ATOM 1062 C PHE A 499 1.645 2.347 2.653 1.00 0.00 C ATOM 1063 O PHE A 499 1.192 1.939 1.583 1.00 0.00 O ATOM 1064 CB PHE A 499 4.035 2.962 2.243 1.00 0.00 C ATOM 1065 CG PHE A 499 5.479 2.814 2.631 1.00 0.00 C ATOM 1066 CD1 PHE A 499 6.251 1.793 2.101 1.00 0.00 C ATOM 1067 CD2 PHE A 499 6.063 3.696 3.526 1.00 0.00 C ATOM 1068 CE1 PHE A 499 7.580 1.655 2.455 1.00 0.00 C ATOM 1069 CE2 PHE A 499 7.392 3.562 3.884 1.00 0.00 C ATOM 1070 CZ PHE A 499 8.151 2.540 3.349 1.00 0.00 C ATOM 0 H PHE A 499 3.399 0.364 1.864 1.00 0.00 H new ATOM 0 HA PHE A 499 3.210 2.289 4.109 1.00 0.00 H new ATOM 0 HB2 PHE A 499 3.926 2.731 1.183 1.00 0.00 H new ATOM 0 HB3 PHE A 499 3.736 4.002 2.375 1.00 0.00 H new ATOM 0 HD1 PHE A 499 5.809 1.097 1.403 1.00 0.00 H new ATOM 0 HD2 PHE A 499 5.474 4.497 3.948 1.00 0.00 H new ATOM 0 HE1 PHE A 499 8.172 0.856 2.033 1.00 0.00 H new ATOM 0 HE2 PHE A 499 7.836 4.256 4.582 1.00 0.00 H new ATOM 0 HZ PHE A 499 9.189 2.433 3.629 1.00 0.00 H new ATOM 1080 N VAL A 500 0.925 3.047 3.524 1.00 0.00 N ATOM 1081 CA VAL A 500 -0.471 3.383 3.266 1.00 0.00 C ATOM 1082 C VAL A 500 -0.751 4.846 3.588 1.00 0.00 C ATOM 1083 O VAL A 500 -0.927 5.214 4.749 1.00 0.00 O ATOM 1084 CB VAL A 500 -1.423 2.496 4.091 1.00 0.00 C ATOM 1085 CG1 VAL A 500 -2.872 2.827 3.770 1.00 0.00 C ATOM 1086 CG2 VAL A 500 -1.134 1.024 3.835 1.00 0.00 C ATOM 0 H VAL A 500 1.285 3.392 4.414 1.00 0.00 H new ATOM 0 HA VAL A 500 -0.649 3.206 2.205 1.00 0.00 H new ATOM 0 HB VAL A 500 -1.255 2.697 5.149 1.00 0.00 H new ATOM 0 HG11 VAL A 500 -3.530 2.191 4.362 1.00 0.00 H new ATOM 0 HG12 VAL A 500 -3.068 3.873 4.008 1.00 0.00 H new ATOM 0 HG13 VAL A 500 -3.058 2.655 2.710 1.00 0.00 H new ATOM 0 HG21 VAL A 500 -1.815 0.411 4.425 1.00 0.00 H new ATOM 0 HG22 VAL A 500 -1.274 0.805 2.776 1.00 0.00 H new ATOM 0 HG23 VAL A 500 -0.106 0.800 4.119 1.00 0.00 H new ATOM 1096 N GLU A 501 -0.793 5.677 2.550 1.00 0.00 N ATOM 1097 CA GLU A 501 -1.053 7.101 2.723 1.00 0.00 C ATOM 1098 C GLU A 501 -2.505 7.434 2.392 1.00 0.00 C ATOM 1099 O GLU A 501 -3.051 6.956 1.397 1.00 0.00 O ATOM 1100 CB GLU A 501 -0.115 7.924 1.838 1.00 0.00 C ATOM 1101 CG GLU A 501 -0.293 9.425 1.992 1.00 0.00 C ATOM 1102 CD GLU A 501 0.152 10.195 0.764 1.00 0.00 C ATOM 1103 OE1 GLU A 501 -0.686 10.412 -0.137 1.00 0.00 O ATOM 1104 OE2 GLU A 501 1.339 10.580 0.702 1.00 0.00 O ATOM 0 H GLU A 501 -0.650 5.388 1.582 1.00 0.00 H new ATOM 0 HA GLU A 501 -0.870 7.353 3.768 1.00 0.00 H new ATOM 0 HB2 GLU A 501 0.916 7.663 2.075 1.00 0.00 H new ATOM 0 HB3 GLU A 501 -0.281 7.652 0.796 1.00 0.00 H new ATOM 0 HG2 GLU A 501 -1.342 9.644 2.193 1.00 0.00 H new ATOM 0 HG3 GLU A 501 0.275 9.768 2.857 1.00 0.00 H new ATOM 1111 N PHE A 502 -3.124 8.256 3.233 1.00 0.00 N ATOM 1112 CA PHE A 502 -4.513 8.652 3.031 1.00 0.00 C ATOM 1113 C PHE A 502 -4.610 10.130 2.667 1.00 0.00 C ATOM 1114 O PHE A 502 -3.615 10.855 2.700 1.00 0.00 O ATOM 1115 CB PHE A 502 -5.333 8.371 4.292 1.00 0.00 C ATOM 1116 CG PHE A 502 -5.346 6.922 4.688 1.00 0.00 C ATOM 1117 CD1 PHE A 502 -4.239 6.345 5.289 1.00 0.00 C ATOM 1118 CD2 PHE A 502 -6.465 6.138 4.461 1.00 0.00 C ATOM 1119 CE1 PHE A 502 -4.248 5.012 5.654 1.00 0.00 C ATOM 1120 CE2 PHE A 502 -6.480 4.804 4.825 1.00 0.00 C ATOM 1121 CZ PHE A 502 -5.370 4.241 5.423 1.00 0.00 C ATOM 0 H PHE A 502 -2.686 8.661 4.061 1.00 0.00 H new ATOM 0 HA PHE A 502 -4.916 8.066 2.205 1.00 0.00 H new ATOM 0 HB2 PHE A 502 -4.931 8.961 5.116 1.00 0.00 H new ATOM 0 HB3 PHE A 502 -6.358 8.705 4.131 1.00 0.00 H new ATOM 0 HD1 PHE A 502 -3.359 6.943 5.474 1.00 0.00 H new ATOM 0 HD2 PHE A 502 -7.336 6.574 3.994 1.00 0.00 H new ATOM 0 HE1 PHE A 502 -3.378 4.574 6.120 1.00 0.00 H new ATOM 0 HE2 PHE A 502 -7.359 4.203 4.642 1.00 0.00 H new ATOM 0 HZ PHE A 502 -5.379 3.200 5.709 1.00 0.00 H new ATOM 1131 N SER A 503 -5.815 10.570 2.319 1.00 0.00 N ATOM 1132 CA SER A 503 -6.042 11.961 1.943 1.00 0.00 C ATOM 1133 C SER A 503 -5.685 12.899 3.093 1.00 0.00 C ATOM 1134 O SER A 503 -4.908 13.839 2.922 1.00 0.00 O ATOM 1135 CB SER A 503 -7.501 12.169 1.534 1.00 0.00 C ATOM 1136 OG SER A 503 -7.791 13.545 1.362 1.00 0.00 O ATOM 0 H SER A 503 -6.649 9.984 2.290 1.00 0.00 H new ATOM 0 HA SER A 503 -5.398 12.193 1.095 1.00 0.00 H new ATOM 0 HB2 SER A 503 -7.702 11.633 0.606 1.00 0.00 H new ATOM 0 HB3 SER A 503 -8.159 11.748 2.294 1.00 0.00 H new ATOM 0 HG SER A 503 -8.729 13.651 1.099 1.00 0.00 H new ATOM 1142 N ILE A 504 -6.258 12.636 4.262 1.00 0.00 N ATOM 1143 CA ILE A 504 -6.001 13.455 5.440 1.00 0.00 C ATOM 1144 C ILE A 504 -5.232 12.671 6.497 1.00 0.00 C ATOM 1145 O ILE A 504 -5.074 11.455 6.391 1.00 0.00 O ATOM 1146 CB ILE A 504 -7.310 13.980 6.057 1.00 0.00 C ATOM 1147 CG1 ILE A 504 -8.285 12.826 6.298 1.00 0.00 C ATOM 1148 CG2 ILE A 504 -7.938 15.031 5.154 1.00 0.00 C ATOM 1149 CD1 ILE A 504 -9.576 13.253 6.961 1.00 0.00 C ATOM 0 H ILE A 504 -6.904 11.862 4.419 1.00 0.00 H new ATOM 0 HA ILE A 504 -5.399 14.302 5.110 1.00 0.00 H new ATOM 0 HB ILE A 504 -7.081 14.444 7.016 1.00 0.00 H new ATOM 0 HG12 ILE A 504 -8.516 12.351 5.344 1.00 0.00 H new ATOM 0 HG13 ILE A 504 -7.799 12.074 6.919 1.00 0.00 H new ATOM 0 HG21 ILE A 504 -8.863 15.392 5.604 1.00 0.00 H new ATOM 0 HG22 ILE A 504 -7.246 15.864 5.029 1.00 0.00 H new ATOM 0 HG23 ILE A 504 -8.156 14.591 4.181 1.00 0.00 H new ATOM 0 HD11 ILE A 504 -10.218 12.383 7.101 1.00 0.00 H new ATOM 0 HD12 ILE A 504 -9.356 13.701 7.930 1.00 0.00 H new ATOM 0 HD13 ILE A 504 -10.085 13.982 6.331 1.00 0.00 H new ATOM 1161 N ALA A 505 -4.756 13.375 7.519 1.00 0.00 N ATOM 1162 CA ALA A 505 -4.007 12.744 8.599 1.00 0.00 C ATOM 1163 C ALA A 505 -4.937 11.997 9.549 1.00 0.00 C ATOM 1164 O ALA A 505 -4.606 10.914 10.032 1.00 0.00 O ATOM 1165 CB ALA A 505 -3.199 13.786 9.359 1.00 0.00 C ATOM 0 H ALA A 505 -4.876 14.383 7.622 1.00 0.00 H new ATOM 0 HA ALA A 505 -3.323 12.019 8.158 1.00 0.00 H new ATOM 0 HB1 ALA A 505 -2.645 13.301 10.163 1.00 0.00 H new ATOM 0 HB2 ALA A 505 -2.500 14.272 8.678 1.00 0.00 H new ATOM 0 HB3 ALA A 505 -3.873 14.532 9.781 1.00 0.00 H new ATOM 1171 N SER A 506 -6.100 12.583 9.813 1.00 0.00 N ATOM 1172 CA SER A 506 -7.076 11.974 10.710 1.00 0.00 C ATOM 1173 C SER A 506 -7.288 10.503 10.364 1.00 0.00 C ATOM 1174 O SER A 506 -7.040 9.620 11.184 1.00 0.00 O ATOM 1175 CB SER A 506 -8.407 12.724 10.634 1.00 0.00 C ATOM 1176 OG SER A 506 -9.148 12.572 11.833 1.00 0.00 O ATOM 0 H SER A 506 -6.390 13.478 9.419 1.00 0.00 H new ATOM 0 HA SER A 506 -6.688 12.038 11.727 1.00 0.00 H new ATOM 0 HB2 SER A 506 -8.222 13.782 10.449 1.00 0.00 H new ATOM 0 HB3 SER A 506 -8.991 12.351 9.792 1.00 0.00 H new ATOM 0 HG SER A 506 -9.993 13.062 11.759 1.00 0.00 H new ATOM 1182 N GLU A 507 -7.749 10.249 9.143 1.00 0.00 N ATOM 1183 CA GLU A 507 -7.996 8.886 8.688 1.00 0.00 C ATOM 1184 C GLU A 507 -6.808 7.983 9.009 1.00 0.00 C ATOM 1185 O GLU A 507 -6.978 6.862 9.492 1.00 0.00 O ATOM 1186 CB GLU A 507 -8.272 8.869 7.183 1.00 0.00 C ATOM 1187 CG GLU A 507 -9.422 9.769 6.765 1.00 0.00 C ATOM 1188 CD GLU A 507 -10.778 9.160 7.065 1.00 0.00 C ATOM 1189 OE1 GLU A 507 -10.859 8.309 7.976 1.00 0.00 O ATOM 1190 OE2 GLU A 507 -11.759 9.536 6.390 1.00 0.00 O ATOM 0 H GLU A 507 -7.959 10.969 8.452 1.00 0.00 H new ATOM 0 HA GLU A 507 -8.872 8.507 9.214 1.00 0.00 H new ATOM 0 HB2 GLU A 507 -7.370 9.176 6.653 1.00 0.00 H new ATOM 0 HB3 GLU A 507 -8.491 7.847 6.874 1.00 0.00 H new ATOM 0 HG2 GLU A 507 -9.336 10.726 7.280 1.00 0.00 H new ATOM 0 HG3 GLU A 507 -9.348 9.974 5.697 1.00 0.00 H new ATOM 1197 N THR A 508 -5.605 8.478 8.737 1.00 0.00 N ATOM 1198 CA THR A 508 -4.389 7.716 8.994 1.00 0.00 C ATOM 1199 C THR A 508 -4.324 7.258 10.447 1.00 0.00 C ATOM 1200 O THR A 508 -4.282 6.061 10.729 1.00 0.00 O ATOM 1201 CB THR A 508 -3.130 8.542 8.671 1.00 0.00 C ATOM 1202 OG1 THR A 508 -3.134 8.923 7.291 1.00 0.00 O ATOM 1203 CG2 THR A 508 -1.869 7.750 8.980 1.00 0.00 C ATOM 0 H THR A 508 -5.446 9.404 8.339 1.00 0.00 H new ATOM 0 HA THR A 508 -4.419 6.843 8.342 1.00 0.00 H new ATOM 0 HB THR A 508 -3.140 9.436 9.294 1.00 0.00 H new ATOM 0 HG1 THR A 508 -2.367 8.515 6.837 1.00 0.00 H new ATOM 0 HG21 THR A 508 -0.993 8.354 8.744 1.00 0.00 H new ATOM 0 HG22 THR A 508 -1.854 7.487 10.038 1.00 0.00 H new ATOM 0 HG23 THR A 508 -1.855 6.840 8.380 1.00 0.00 H new ATOM 1211 N HIS A 509 -4.317 8.219 11.365 1.00 0.00 N ATOM 1212 CA HIS A 509 -4.259 7.914 12.791 1.00 0.00 C ATOM 1213 C HIS A 509 -5.238 6.800 13.148 1.00 0.00 C ATOM 1214 O HIS A 509 -4.891 5.860 13.865 1.00 0.00 O ATOM 1215 CB HIS A 509 -4.567 9.164 13.615 1.00 0.00 C ATOM 1216 CG HIS A 509 -3.403 10.096 13.748 1.00 0.00 C ATOM 1217 ND1 HIS A 509 -2.837 10.425 14.962 1.00 0.00 N ATOM 1218 CD2 HIS A 509 -2.696 10.769 12.811 1.00 0.00 C ATOM 1219 CE1 HIS A 509 -1.834 11.262 14.766 1.00 0.00 C ATOM 1220 NE2 HIS A 509 -1.727 11.486 13.468 1.00 0.00 N ATOM 0 H HIS A 509 -4.351 9.215 11.148 1.00 0.00 H new ATOM 0 HA HIS A 509 -3.250 7.575 13.024 1.00 0.00 H new ATOM 0 HB2 HIS A 509 -5.398 9.697 13.154 1.00 0.00 H new ATOM 0 HB3 HIS A 509 -4.895 8.862 14.609 1.00 0.00 H new ATOM 0 HD2 HIS A 509 -2.863 10.746 11.744 1.00 0.00 H new ATOM 0 HE1 HIS A 509 -1.208 11.690 15.535 1.00 0.00 H new ATOM 0 HE2 HIS A 509 -1.037 12.093 13.026 1.00 0.00 H new ATOM 1228 N LYS A 510 -6.462 6.911 12.645 1.00 0.00 N ATOM 1229 CA LYS A 510 -7.492 5.913 12.910 1.00 0.00 C ATOM 1230 C LYS A 510 -7.018 4.521 12.507 1.00 0.00 C ATOM 1231 O LYS A 510 -6.879 3.635 13.350 1.00 0.00 O ATOM 1232 CB LYS A 510 -8.777 6.264 12.155 1.00 0.00 C ATOM 1233 CG LYS A 510 -9.954 5.372 12.511 1.00 0.00 C ATOM 1234 CD LYS A 510 -11.224 5.818 11.806 1.00 0.00 C ATOM 1235 CE LYS A 510 -11.883 6.983 12.529 1.00 0.00 C ATOM 1236 NZ LYS A 510 -13.341 7.063 12.238 1.00 0.00 N ATOM 0 H LYS A 510 -6.766 7.683 12.051 1.00 0.00 H new ATOM 0 HA LYS A 510 -7.695 5.912 13.981 1.00 0.00 H new ATOM 0 HB2 LYS A 510 -9.041 7.301 12.365 1.00 0.00 H new ATOM 0 HB3 LYS A 510 -8.590 6.194 11.084 1.00 0.00 H new ATOM 0 HG2 LYS A 510 -9.727 4.342 12.237 1.00 0.00 H new ATOM 0 HG3 LYS A 510 -10.111 5.388 13.590 1.00 0.00 H new ATOM 0 HD2 LYS A 510 -10.990 6.109 10.782 1.00 0.00 H new ATOM 0 HD3 LYS A 510 -11.922 4.983 11.748 1.00 0.00 H new ATOM 0 HE2 LYS A 510 -11.732 6.876 13.603 1.00 0.00 H new ATOM 0 HE3 LYS A 510 -11.402 7.914 12.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 -13.753 7.869 12.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 -13.484 7.191 11.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 -13.805 6.185 12.545 1.00 0.00 H new ATOM 1250 N ALA A 511 -6.769 4.336 11.215 1.00 0.00 N ATOM 1251 CA ALA A 511 -6.307 3.052 10.702 1.00 0.00 C ATOM 1252 C ALA A 511 -5.217 2.466 11.593 1.00 0.00 C ATOM 1253 O ALA A 511 -5.249 1.282 11.931 1.00 0.00 O ATOM 1254 CB ALA A 511 -5.800 3.205 9.276 1.00 0.00 C ATOM 0 H ALA A 511 -6.879 5.059 10.504 1.00 0.00 H new ATOM 0 HA ALA A 511 -7.151 2.363 10.703 1.00 0.00 H new ATOM 0 HB1 ALA A 511 -5.458 2.238 8.906 1.00 0.00 H new ATOM 0 HB2 ALA A 511 -6.606 3.573 8.641 1.00 0.00 H new ATOM 0 HB3 ALA A 511 -4.972 3.914 9.258 1.00 0.00 H new ATOM 1260 N ILE A 512 -4.254 3.300 11.969 1.00 0.00 N ATOM 1261 CA ILE A 512 -3.155 2.863 12.821 1.00 0.00 C ATOM 1262 C ILE A 512 -3.672 2.306 14.143 1.00 0.00 C ATOM 1263 O ILE A 512 -3.458 1.136 14.459 1.00 0.00 O ATOM 1264 CB ILE A 512 -2.175 4.016 13.111 1.00 0.00 C ATOM 1265 CG1 ILE A 512 -1.450 4.432 11.830 1.00 0.00 C ATOM 1266 CG2 ILE A 512 -1.176 3.605 14.182 1.00 0.00 C ATOM 1267 CD1 ILE A 512 -0.624 5.690 11.985 1.00 0.00 C ATOM 0 H ILE A 512 -4.212 4.282 11.697 1.00 0.00 H new ATOM 0 HA ILE A 512 -2.629 2.077 12.279 1.00 0.00 H new ATOM 0 HB ILE A 512 -2.742 4.871 13.479 1.00 0.00 H new ATOM 0 HG12 ILE A 512 -0.800 3.618 11.509 1.00 0.00 H new ATOM 0 HG13 ILE A 512 -2.185 4.584 11.039 1.00 0.00 H new ATOM 0 HG21 ILE A 512 -0.490 4.430 14.376 1.00 0.00 H new ATOM 0 HG22 ILE A 512 -1.709 3.353 15.099 1.00 0.00 H new ATOM 0 HG23 ILE A 512 -0.612 2.737 13.840 1.00 0.00 H new ATOM 0 HD11 ILE A 512 -0.138 5.925 11.038 1.00 0.00 H new ATOM 0 HD12 ILE A 512 -1.272 6.517 12.276 1.00 0.00 H new ATOM 0 HD13 ILE A 512 0.134 5.535 12.753 1.00 0.00 H new ATOM 1279 N GLN A 513 -4.354 3.150 14.909 1.00 0.00 N ATOM 1280 CA GLN A 513 -4.903 2.741 16.196 1.00 0.00 C ATOM 1281 C GLN A 513 -5.609 1.394 16.083 1.00 0.00 C ATOM 1282 O GLN A 513 -5.662 0.628 17.045 1.00 0.00 O ATOM 1283 CB GLN A 513 -5.877 3.798 16.718 1.00 0.00 C ATOM 1284 CG GLN A 513 -5.238 5.159 16.938 1.00 0.00 C ATOM 1285 CD GLN A 513 -4.667 5.318 18.334 1.00 0.00 C ATOM 1286 OE1 GLN A 513 -3.907 4.472 18.806 1.00 0.00 O ATOM 1287 NE2 GLN A 513 -5.033 6.405 19.003 1.00 0.00 N ATOM 0 H GLN A 513 -4.540 4.122 14.661 1.00 0.00 H new ATOM 0 HA GLN A 513 -4.077 2.640 16.899 1.00 0.00 H new ATOM 0 HB2 GLN A 513 -6.700 3.902 16.011 1.00 0.00 H new ATOM 0 HB3 GLN A 513 -6.307 3.451 17.658 1.00 0.00 H new ATOM 0 HG2 GLN A 513 -4.444 5.306 16.206 1.00 0.00 H new ATOM 0 HG3 GLN A 513 -5.981 5.937 16.763 1.00 0.00 H new ATOM 0 HE21 GLN A 513 -5.665 7.080 18.573 1.00 0.00 H new ATOM 0 HE22 GLN A 513 -4.682 6.565 19.947 1.00 0.00 H new ATOM 1296 N ALA A 514 -6.149 1.111 14.902 1.00 0.00 N ATOM 1297 CA ALA A 514 -6.850 -0.144 14.663 1.00 0.00 C ATOM 1298 C ALA A 514 -5.868 -1.275 14.375 1.00 0.00 C ATOM 1299 O ALA A 514 -5.992 -2.372 14.920 1.00 0.00 O ATOM 1300 CB ALA A 514 -7.833 0.011 13.512 1.00 0.00 C ATOM 0 H ALA A 514 -6.114 1.735 14.096 1.00 0.00 H new ATOM 0 HA ALA A 514 -7.404 -0.400 15.566 1.00 0.00 H new ATOM 0 HB1 ALA A 514 -8.349 -0.934 13.345 1.00 0.00 H new ATOM 0 HB2 ALA A 514 -8.561 0.784 13.757 1.00 0.00 H new ATOM 0 HB3 ALA A 514 -7.293 0.294 12.608 1.00 0.00 H new ATOM 1306 N LEU A 515 -4.894 -1.001 13.515 1.00 0.00 N ATOM 1307 CA LEU A 515 -3.890 -1.996 13.154 1.00 0.00 C ATOM 1308 C LEU A 515 -2.631 -1.832 14.000 1.00 0.00 C ATOM 1309 O LEU A 515 -1.544 -2.246 13.599 1.00 0.00 O ATOM 1310 CB LEU A 515 -3.539 -1.879 11.669 1.00 0.00 C ATOM 1311 CG LEU A 515 -4.722 -1.745 10.709 1.00 0.00 C ATOM 1312 CD1 LEU A 515 -4.287 -1.069 9.418 1.00 0.00 C ATOM 1313 CD2 LEU A 515 -5.331 -3.109 10.419 1.00 0.00 C ATOM 0 H LEU A 515 -4.778 -0.098 13.054 1.00 0.00 H new ATOM 0 HA LEU A 515 -4.308 -2.984 13.346 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -2.889 -1.014 11.537 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -2.962 -2.758 11.382 1.00 0.00 H new ATOM 0 HG LEU A 515 -5.482 -1.124 11.183 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -5.142 -0.982 8.747 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -3.898 -0.075 9.641 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -3.509 -1.664 8.940 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -6.171 -2.994 9.734 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -4.579 -3.754 9.965 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -5.680 -3.557 11.349 1.00 0.00 H new ATOM 1325 N ASN A 516 -2.788 -1.227 15.173 1.00 0.00 N ATOM 1326 CA ASN A 516 -1.664 -1.010 16.076 1.00 0.00 C ATOM 1327 C ASN A 516 -1.389 -2.256 16.912 1.00 0.00 C ATOM 1328 O ASN A 516 -0.434 -2.299 17.687 1.00 0.00 O ATOM 1329 CB ASN A 516 -1.943 0.182 16.995 1.00 0.00 C ATOM 1330 CG ASN A 516 -2.698 -0.219 18.248 1.00 0.00 C ATOM 1331 OD1 ASN A 516 -3.871 -0.587 18.189 1.00 0.00 O ATOM 1332 ND2 ASN A 516 -2.025 -0.148 19.391 1.00 0.00 N ATOM 0 H ASN A 516 -3.682 -0.879 15.520 1.00 0.00 H new ATOM 0 HA ASN A 516 -0.782 -0.797 15.472 1.00 0.00 H new ATOM 0 HB2 ASN A 516 -0.999 0.649 17.276 1.00 0.00 H new ATOM 0 HB3 ASN A 516 -2.519 0.930 16.451 1.00 0.00 H new ATOM 0 HD21 ASN A 516 -2.480 -0.404 20.267 1.00 0.00 H new ATOM 0 HD22 ASN A 516 -1.053 0.163 19.392 1.00 0.00 H new ATOM 1339 N GLY A 517 -2.233 -3.270 16.748 1.00 0.00 N ATOM 1340 CA GLY A 517 -2.065 -4.504 17.493 1.00 0.00 C ATOM 1341 C GLY A 517 -2.927 -5.629 16.955 1.00 0.00 C ATOM 1342 O GLY A 517 -3.233 -6.582 17.671 1.00 0.00 O ATOM 0 H GLY A 517 -3.030 -3.259 16.112 1.00 0.00 H new ATOM 0 HA2 GLY A 517 -1.018 -4.805 17.460 1.00 0.00 H new ATOM 0 HA3 GLY A 517 -2.313 -4.329 18.540 1.00 0.00 H new ATOM 1346 N ARG A 518 -3.322 -5.517 15.691 1.00 0.00 N ATOM 1347 CA ARG A 518 -4.158 -6.531 15.059 1.00 0.00 C ATOM 1348 C ARG A 518 -3.415 -7.860 14.955 1.00 0.00 C ATOM 1349 O ARG A 518 -2.186 -7.902 15.022 1.00 0.00 O ATOM 1350 CB ARG A 518 -4.593 -6.068 13.667 1.00 0.00 C ATOM 1351 CG ARG A 518 -5.897 -5.287 13.666 1.00 0.00 C ATOM 1352 CD ARG A 518 -7.101 -6.211 13.765 1.00 0.00 C ATOM 1353 NE ARG A 518 -7.225 -6.808 15.091 1.00 0.00 N ATOM 1354 CZ ARG A 518 -7.752 -6.177 16.135 1.00 0.00 C ATOM 1355 NH1 ARG A 518 -8.201 -4.937 16.006 1.00 0.00 N ATOM 1356 NH2 ARG A 518 -7.830 -6.788 17.311 1.00 0.00 N ATOM 0 H ARG A 518 -3.077 -4.735 15.084 1.00 0.00 H new ATOM 0 HA ARG A 518 -5.042 -6.676 15.680 1.00 0.00 H new ATOM 0 HB2 ARG A 518 -3.807 -5.447 13.238 1.00 0.00 H new ATOM 0 HB3 ARG A 518 -4.700 -6.939 13.020 1.00 0.00 H new ATOM 0 HG2 ARG A 518 -5.904 -4.588 14.502 1.00 0.00 H new ATOM 0 HG3 ARG A 518 -5.966 -4.694 12.754 1.00 0.00 H new ATOM 0 HD2 ARG A 518 -8.007 -5.652 13.533 1.00 0.00 H new ATOM 0 HD3 ARG A 518 -7.014 -7.001 13.019 1.00 0.00 H new ATOM 0 HE ARG A 518 -6.889 -7.762 15.224 1.00 0.00 H new ATOM 0 HH11 ARG A 518 -8.143 -4.465 15.104 1.00 0.00 H new ATOM 0 HH12 ARG A 518 -8.605 -4.455 16.809 1.00 0.00 H new ATOM 0 HH21 ARG A 518 -7.485 -7.742 17.414 1.00 0.00 H new ATOM 0 HH22 ARG A 518 -8.235 -6.303 18.112 1.00 0.00 H new ATOM 1370 N TRP A 519 -4.168 -8.941 14.793 1.00 0.00 N ATOM 1371 CA TRP A 519 -3.581 -10.272 14.680 1.00 0.00 C ATOM 1372 C TRP A 519 -3.875 -10.883 13.315 1.00 0.00 C ATOM 1373 O TRP A 519 -4.982 -11.358 13.062 1.00 0.00 O ATOM 1374 CB TRP A 519 -4.116 -11.183 15.786 1.00 0.00 C ATOM 1375 CG TRP A 519 -3.284 -11.157 17.032 1.00 0.00 C ATOM 1376 CD1 TRP A 519 -3.613 -10.582 18.226 1.00 0.00 C ATOM 1377 CD2 TRP A 519 -1.983 -11.729 17.205 1.00 0.00 C ATOM 1378 NE1 TRP A 519 -2.595 -10.762 19.132 1.00 0.00 N ATOM 1379 CE2 TRP A 519 -1.584 -11.464 18.530 1.00 0.00 C ATOM 1380 CE3 TRP A 519 -1.117 -12.441 16.371 1.00 0.00 C ATOM 1381 CZ2 TRP A 519 -0.357 -11.885 19.036 1.00 0.00 C ATOM 1382 CZ3 TRP A 519 0.100 -12.859 16.875 1.00 0.00 C ATOM 1383 CH2 TRP A 519 0.471 -12.581 18.198 1.00 0.00 C ATOM 0 H TRP A 519 -5.186 -8.923 14.737 1.00 0.00 H new ATOM 0 HA TRP A 519 -2.501 -10.176 14.789 1.00 0.00 H new ATOM 0 HB2 TRP A 519 -5.135 -10.884 16.032 1.00 0.00 H new ATOM 0 HB3 TRP A 519 -4.165 -12.206 15.412 1.00 0.00 H new ATOM 0 HD1 TRP A 519 -4.538 -10.062 18.429 1.00 0.00 H new ATOM 0 HE1 TRP A 519 -2.593 -10.427 20.096 1.00 0.00 H new ATOM 0 HE3 TRP A 519 -1.394 -12.661 15.350 1.00 0.00 H new ATOM 0 HZ2 TRP A 519 -0.069 -11.670 20.054 1.00 0.00 H new ATOM 0 HZ3 TRP A 519 0.777 -13.409 16.239 1.00 0.00 H new ATOM 0 HH2 TRP A 519 1.428 -12.923 18.563 1.00 0.00 H new ATOM 1394 N PHE A 520 -2.877 -10.868 12.438 1.00 0.00 N ATOM 1395 CA PHE A 520 -3.029 -11.421 11.097 1.00 0.00 C ATOM 1396 C PHE A 520 -2.887 -12.940 11.116 1.00 0.00 C ATOM 1397 O PHE A 520 -2.332 -13.511 12.054 1.00 0.00 O ATOM 1398 CB PHE A 520 -1.992 -10.812 10.151 1.00 0.00 C ATOM 1399 CG PHE A 520 -2.358 -10.939 8.699 1.00 0.00 C ATOM 1400 CD1 PHE A 520 -3.205 -10.019 8.102 1.00 0.00 C ATOM 1401 CD2 PHE A 520 -1.854 -11.976 7.932 1.00 0.00 C ATOM 1402 CE1 PHE A 520 -3.544 -10.133 6.767 1.00 0.00 C ATOM 1403 CE2 PHE A 520 -2.189 -12.095 6.596 1.00 0.00 C ATOM 1404 CZ PHE A 520 -3.034 -11.172 6.013 1.00 0.00 C ATOM 0 H PHE A 520 -1.954 -10.479 12.632 1.00 0.00 H new ATOM 0 HA PHE A 520 -4.028 -11.172 10.739 1.00 0.00 H new ATOM 0 HB2 PHE A 520 -1.865 -9.757 10.395 1.00 0.00 H new ATOM 0 HB3 PHE A 520 -1.030 -11.296 10.319 1.00 0.00 H new ATOM 0 HD1 PHE A 520 -3.605 -9.204 8.687 1.00 0.00 H new ATOM 0 HD2 PHE A 520 -1.192 -12.700 8.383 1.00 0.00 H new ATOM 0 HE1 PHE A 520 -4.207 -9.411 6.314 1.00 0.00 H new ATOM 0 HE2 PHE A 520 -1.790 -12.909 6.009 1.00 0.00 H new ATOM 0 HZ PHE A 520 -3.296 -11.262 4.969 1.00 0.00 H new ATOM 1414 N ALA A 521 -3.395 -13.589 10.072 1.00 0.00 N ATOM 1415 CA ALA A 521 -3.324 -15.041 9.967 1.00 0.00 C ATOM 1416 C ALA A 521 -1.922 -15.547 10.289 1.00 0.00 C ATOM 1417 O ALA A 521 -1.078 -15.671 9.403 1.00 0.00 O ATOM 1418 CB ALA A 521 -3.744 -15.490 8.576 1.00 0.00 C ATOM 0 H ALA A 521 -3.860 -13.132 9.288 1.00 0.00 H new ATOM 0 HA ALA A 521 -4.012 -15.468 10.697 1.00 0.00 H new ATOM 0 HB1 ALA A 521 -3.686 -16.577 8.511 1.00 0.00 H new ATOM 0 HB2 ALA A 521 -4.768 -15.169 8.384 1.00 0.00 H new ATOM 0 HB3 ALA A 521 -3.079 -15.047 7.834 1.00 0.00 H new ATOM 1424 N GLY A 522 -1.681 -15.838 11.564 1.00 0.00 N ATOM 1425 CA GLY A 522 -0.379 -16.326 11.979 1.00 0.00 C ATOM 1426 C GLY A 522 0.703 -15.272 11.854 1.00 0.00 C ATOM 1427 O GLY A 522 1.873 -15.595 11.649 1.00 0.00 O ATOM 0 H GLY A 522 -2.364 -15.745 12.316 1.00 0.00 H new ATOM 0 HA2 GLY A 522 -0.434 -16.664 13.014 1.00 0.00 H new ATOM 0 HA3 GLY A 522 -0.110 -17.192 11.374 1.00 0.00 H new ATOM 1431 N ARG A 523 0.312 -14.008 11.976 1.00 0.00 N ATOM 1432 CA ARG A 523 1.257 -12.902 11.872 1.00 0.00 C ATOM 1433 C ARG A 523 0.754 -11.683 12.639 1.00 0.00 C ATOM 1434 O ARG A 523 -0.318 -11.152 12.349 1.00 0.00 O ATOM 1435 CB ARG A 523 1.487 -12.536 10.405 1.00 0.00 C ATOM 1436 CG ARG A 523 2.301 -13.567 9.640 1.00 0.00 C ATOM 1437 CD ARG A 523 3.733 -13.635 10.149 1.00 0.00 C ATOM 1438 NE ARG A 523 4.504 -14.677 9.478 1.00 0.00 N ATOM 1439 CZ ARG A 523 5.797 -14.890 9.695 1.00 0.00 C ATOM 1440 NH1 ARG A 523 6.460 -14.137 10.561 1.00 0.00 N ATOM 1441 NH2 ARG A 523 6.429 -15.859 9.045 1.00 0.00 N ATOM 0 H ARG A 523 -0.653 -13.724 12.147 1.00 0.00 H new ATOM 0 HA ARG A 523 2.202 -13.222 12.312 1.00 0.00 H new ATOM 0 HB2 ARG A 523 0.521 -12.411 9.915 1.00 0.00 H new ATOM 0 HB3 ARG A 523 1.996 -11.574 10.355 1.00 0.00 H new ATOM 0 HG2 ARG A 523 1.833 -14.546 9.736 1.00 0.00 H new ATOM 0 HG3 ARG A 523 2.302 -13.317 8.579 1.00 0.00 H new ATOM 0 HD2 ARG A 523 4.218 -12.671 9.997 1.00 0.00 H new ATOM 0 HD3 ARG A 523 3.727 -13.823 11.223 1.00 0.00 H new ATOM 0 HE ARG A 523 4.023 -15.275 8.805 1.00 0.00 H new ATOM 0 HH11 ARG A 523 5.977 -13.392 11.063 1.00 0.00 H new ATOM 0 HH12 ARG A 523 7.453 -14.303 10.726 1.00 0.00 H new ATOM 0 HH21 ARG A 523 5.922 -16.441 8.378 1.00 0.00 H new ATOM 0 HH22 ARG A 523 7.422 -16.022 9.212 1.00 0.00 H new ATOM 1455 N LYS A 524 1.535 -11.244 13.620 1.00 0.00 N ATOM 1456 CA LYS A 524 1.170 -10.087 14.430 1.00 0.00 C ATOM 1457 C LYS A 524 1.439 -8.789 13.675 1.00 0.00 C ATOM 1458 O LYS A 524 2.583 -8.476 13.345 1.00 0.00 O ATOM 1459 CB LYS A 524 1.950 -10.094 15.747 1.00 0.00 C ATOM 1460 CG LYS A 524 1.799 -8.814 16.549 1.00 0.00 C ATOM 1461 CD LYS A 524 1.895 -9.077 18.043 1.00 0.00 C ATOM 1462 CE LYS A 524 1.341 -7.913 18.850 1.00 0.00 C ATOM 1463 NZ LYS A 524 2.386 -6.895 19.145 1.00 0.00 N ATOM 0 H LYS A 524 2.425 -11.672 13.874 1.00 0.00 H new ATOM 0 HA LYS A 524 0.103 -10.148 14.646 1.00 0.00 H new ATOM 0 HB2 LYS A 524 1.615 -10.935 16.354 1.00 0.00 H new ATOM 0 HB3 LYS A 524 3.006 -10.257 15.533 1.00 0.00 H new ATOM 0 HG2 LYS A 524 2.572 -8.105 16.253 1.00 0.00 H new ATOM 0 HG3 LYS A 524 0.838 -8.352 16.321 1.00 0.00 H new ATOM 0 HD2 LYS A 524 1.346 -9.986 18.290 1.00 0.00 H new ATOM 0 HD3 LYS A 524 2.936 -9.249 18.317 1.00 0.00 H new ATOM 0 HE2 LYS A 524 0.524 -7.446 18.300 1.00 0.00 H new ATOM 0 HE3 LYS A 524 0.923 -8.286 19.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 524 1.968 -6.118 19.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 524 3.154 -7.334 19.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 524 2.767 -6.520 18.253 1.00 0.00 H new ATOM 1477 N VAL A 525 0.377 -8.036 13.406 1.00 0.00 N ATOM 1478 CA VAL A 525 0.498 -6.770 12.692 1.00 0.00 C ATOM 1479 C VAL A 525 0.960 -5.656 13.625 1.00 0.00 C ATOM 1480 O VAL A 525 0.654 -5.662 14.817 1.00 0.00 O ATOM 1481 CB VAL A 525 -0.837 -6.361 12.044 1.00 0.00 C ATOM 1482 CG1 VAL A 525 -0.654 -5.124 11.177 1.00 0.00 C ATOM 1483 CG2 VAL A 525 -1.409 -7.512 11.230 1.00 0.00 C ATOM 0 H VAL A 525 -0.577 -8.281 13.672 1.00 0.00 H new ATOM 0 HA VAL A 525 1.242 -6.918 11.909 1.00 0.00 H new ATOM 0 HB VAL A 525 -1.545 -6.119 12.836 1.00 0.00 H new ATOM 0 HG11 VAL A 525 -1.609 -4.850 10.727 1.00 0.00 H new ATOM 0 HG12 VAL A 525 -0.292 -4.299 11.791 1.00 0.00 H new ATOM 0 HG13 VAL A 525 0.070 -5.335 10.390 1.00 0.00 H new ATOM 0 HG21 VAL A 525 -2.353 -7.205 10.779 1.00 0.00 H new ATOM 0 HG22 VAL A 525 -0.705 -7.788 10.445 1.00 0.00 H new ATOM 0 HG23 VAL A 525 -1.580 -8.369 11.882 1.00 0.00 H new ATOM 1493 N VAL A 526 1.700 -4.699 13.073 1.00 0.00 N ATOM 1494 CA VAL A 526 2.204 -3.576 13.855 1.00 0.00 C ATOM 1495 C VAL A 526 2.185 -2.287 13.041 1.00 0.00 C ATOM 1496 O VAL A 526 3.021 -2.085 12.161 1.00 0.00 O ATOM 1497 CB VAL A 526 3.638 -3.836 14.352 1.00 0.00 C ATOM 1498 CG1 VAL A 526 4.267 -2.550 14.866 1.00 0.00 C ATOM 1499 CG2 VAL A 526 3.642 -4.910 15.429 1.00 0.00 C ATOM 0 H VAL A 526 1.964 -4.679 12.088 1.00 0.00 H new ATOM 0 HA VAL A 526 1.544 -3.468 14.716 1.00 0.00 H new ATOM 0 HB VAL A 526 4.235 -4.193 13.513 1.00 0.00 H new ATOM 0 HG11 VAL A 526 5.280 -2.754 15.213 1.00 0.00 H new ATOM 0 HG12 VAL A 526 4.300 -1.814 14.062 1.00 0.00 H new ATOM 0 HG13 VAL A 526 3.673 -2.159 15.692 1.00 0.00 H new ATOM 0 HG21 VAL A 526 4.664 -5.081 15.769 1.00 0.00 H new ATOM 0 HG22 VAL A 526 3.030 -4.584 16.270 1.00 0.00 H new ATOM 0 HG23 VAL A 526 3.236 -5.836 15.021 1.00 0.00 H new ATOM 1509 N ALA A 527 1.226 -1.418 13.341 1.00 0.00 N ATOM 1510 CA ALA A 527 1.100 -0.146 12.639 1.00 0.00 C ATOM 1511 C ALA A 527 1.788 0.976 13.408 1.00 0.00 C ATOM 1512 O ALA A 527 1.690 1.053 14.632 1.00 0.00 O ATOM 1513 CB ALA A 527 -0.367 0.188 12.413 1.00 0.00 C ATOM 0 H ALA A 527 0.525 -1.571 14.066 1.00 0.00 H new ATOM 0 HA ALA A 527 1.593 -0.242 11.672 1.00 0.00 H new ATOM 0 HB1 ALA A 527 -0.447 1.140 11.888 1.00 0.00 H new ATOM 0 HB2 ALA A 527 -0.831 -0.596 11.815 1.00 0.00 H new ATOM 0 HB3 ALA A 527 -0.876 0.260 13.374 1.00 0.00 H new ATOM 1519 N GLU A 528 2.486 1.844 12.681 1.00 0.00 N ATOM 1520 CA GLU A 528 3.191 2.962 13.297 1.00 0.00 C ATOM 1521 C GLU A 528 3.382 4.101 12.300 1.00 0.00 C ATOM 1522 O GLU A 528 3.056 3.969 11.120 1.00 0.00 O ATOM 1523 CB GLU A 528 4.550 2.504 13.831 1.00 0.00 C ATOM 1524 CG GLU A 528 5.499 2.020 12.747 1.00 0.00 C ATOM 1525 CD GLU A 528 6.924 1.874 13.242 1.00 0.00 C ATOM 1526 OE1 GLU A 528 7.190 0.934 14.020 1.00 0.00 O ATOM 1527 OE2 GLU A 528 7.775 2.701 12.852 1.00 0.00 O ATOM 0 H GLU A 528 2.578 1.794 11.666 1.00 0.00 H new ATOM 0 HA GLU A 528 2.586 3.327 14.127 1.00 0.00 H new ATOM 0 HB2 GLU A 528 5.017 3.330 14.368 1.00 0.00 H new ATOM 0 HB3 GLU A 528 4.396 1.701 14.552 1.00 0.00 H new ATOM 0 HG2 GLU A 528 5.150 1.060 12.366 1.00 0.00 H new ATOM 0 HG3 GLU A 528 5.478 2.720 11.912 1.00 0.00 H new ATOM 1534 N VAL A 529 3.914 5.219 12.782 1.00 0.00 N ATOM 1535 CA VAL A 529 4.149 6.382 11.934 1.00 0.00 C ATOM 1536 C VAL A 529 5.456 6.242 11.161 1.00 0.00 C ATOM 1537 O VAL A 529 6.430 5.681 11.664 1.00 0.00 O ATOM 1538 CB VAL A 529 4.191 7.681 12.761 1.00 0.00 C ATOM 1539 CG1 VAL A 529 4.302 8.892 11.847 1.00 0.00 C ATOM 1540 CG2 VAL A 529 2.962 7.784 13.651 1.00 0.00 C ATOM 0 H VAL A 529 4.191 5.344 13.756 1.00 0.00 H new ATOM 0 HA VAL A 529 3.318 6.435 11.231 1.00 0.00 H new ATOM 0 HB VAL A 529 5.073 7.657 13.400 1.00 0.00 H new ATOM 0 HG11 VAL A 529 4.330 9.801 12.449 1.00 0.00 H new ATOM 0 HG12 VAL A 529 5.215 8.819 11.256 1.00 0.00 H new ATOM 0 HG13 VAL A 529 3.440 8.925 11.180 1.00 0.00 H new ATOM 0 HG21 VAL A 529 3.007 8.707 14.229 1.00 0.00 H new ATOM 0 HG22 VAL A 529 2.064 7.786 13.033 1.00 0.00 H new ATOM 0 HG23 VAL A 529 2.932 6.932 14.330 1.00 0.00 H new ATOM 1550 N TYR A 530 5.470 6.757 9.937 1.00 0.00 N ATOM 1551 CA TYR A 530 6.657 6.688 9.093 1.00 0.00 C ATOM 1552 C TYR A 530 7.124 8.085 8.695 1.00 0.00 C ATOM 1553 O TYR A 530 6.417 9.071 8.902 1.00 0.00 O ATOM 1554 CB TYR A 530 6.370 5.859 7.840 1.00 0.00 C ATOM 1555 CG TYR A 530 7.508 5.853 6.844 1.00 0.00 C ATOM 1556 CD1 TYR A 530 8.531 4.917 6.932 1.00 0.00 C ATOM 1557 CD2 TYR A 530 7.559 6.784 5.813 1.00 0.00 C ATOM 1558 CE1 TYR A 530 9.572 4.909 6.025 1.00 0.00 C ATOM 1559 CE2 TYR A 530 8.596 6.782 4.900 1.00 0.00 C ATOM 1560 CZ TYR A 530 9.600 5.843 5.011 1.00 0.00 C ATOM 1561 OH TYR A 530 10.635 5.838 4.104 1.00 0.00 O ATOM 0 H TYR A 530 4.673 7.227 9.507 1.00 0.00 H new ATOM 0 HA TYR A 530 7.451 6.208 9.665 1.00 0.00 H new ATOM 0 HB2 TYR A 530 6.152 4.833 8.136 1.00 0.00 H new ATOM 0 HB3 TYR A 530 5.475 6.248 7.354 1.00 0.00 H new ATOM 0 HD1 TYR A 530 8.512 4.183 7.724 1.00 0.00 H new ATOM 0 HD2 TYR A 530 6.775 7.521 5.724 1.00 0.00 H new ATOM 0 HE1 TYR A 530 10.360 4.175 6.109 1.00 0.00 H new ATOM 0 HE2 TYR A 530 8.620 7.512 4.104 1.00 0.00 H new ATOM 0 HH TYR A 530 10.504 6.559 3.454 1.00 0.00 H new