USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 581 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 526 HIS : no HD1:sc= 0 X(o=0.76,f=0.74) USER MOD Set 1.2: A 527 SER OG : rot 37:sc= 0.758 USER MOD Single : A 462 SER OG : rot 54:sc= 0.224 USER MOD Single : A 463 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 468 ASN : amide:sc= 0.214 X(o=0.21,f=0) USER MOD Single : A 472 GLN : amide:sc= -0.12 X(o=-0.12,f=-0.2) USER MOD Single : A 474 ASN : amide:sc=-0.00276 X(o=-0.0028,f=-0.29) USER MOD Single : A 475 GLN : amide:sc= -4.58! C(o=-4.6!,f=-7.8!) USER MOD Single : A 483 SER OG : rot -56:sc= -0.426 USER MOD Single : A 484 THR OG1 : rot 67:sc= 0.598 USER MOD Single : A 489 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 490 THR OG1 : rot 180:sc= 0 USER MOD Single : A 513 THR OG1 : rot 129:sc= -0.598 USER MOD Single : A 514 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 515 GLN : amide:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : A 518 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0915) USER MOD Single : A 519 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 522 ASN : amide:sc= -5.28! C(o=-5.3!,f=-6!) USER MOD Single : A 525 CYS SG : rot 180:sc= -0.003 USER MOD Single : A 528 THR OG1 : rot 61:sc= 1.1 USER MOD Single : A 529 HIS : no HD1:sc= -2.15! C(o=-2.1!,f=-2.1!) USER MOD Single : A 531 TYR OH : rot 30:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 202 N SER A 462 5.521 0.610 -7.635 1.00 0.00 N ATOM 203 CA SER A 462 5.696 -0.158 -6.408 1.00 0.00 C ATOM 204 C SER A 462 4.973 0.509 -5.242 1.00 0.00 C ATOM 205 O SER A 462 5.565 1.284 -4.490 1.00 0.00 O ATOM 206 CB SER A 462 7.184 -0.307 -6.083 1.00 0.00 C ATOM 207 OG SER A 462 7.846 0.944 -6.141 1.00 0.00 O ATOM 0 HA SER A 462 5.264 -1.147 -6.562 1.00 0.00 H new ATOM 0 HB2 SER A 462 7.301 -0.738 -5.089 1.00 0.00 H new ATOM 0 HB3 SER A 462 7.646 -0.999 -6.787 1.00 0.00 H new ATOM 0 HG SER A 462 7.381 1.587 -5.566 1.00 0.00 H new ATOM 213 N LYS A 463 3.689 0.202 -5.097 1.00 0.00 N ATOM 214 CA LYS A 463 2.882 0.769 -4.023 1.00 0.00 C ATOM 215 C LYS A 463 1.887 -0.257 -3.490 1.00 0.00 C ATOM 216 O LYS A 463 0.951 -0.648 -4.187 1.00 0.00 O ATOM 217 CB LYS A 463 2.136 2.010 -4.518 1.00 0.00 C ATOM 218 CG LYS A 463 1.178 2.592 -3.493 1.00 0.00 C ATOM 219 CD LYS A 463 0.963 4.080 -3.714 1.00 0.00 C ATOM 220 CE LYS A 463 0.331 4.357 -5.069 1.00 0.00 C ATOM 221 NZ LYS A 463 0.619 5.739 -5.544 1.00 0.00 N ATOM 0 H LYS A 463 3.184 -0.437 -5.711 1.00 0.00 H new ATOM 0 HA LYS A 463 3.551 1.055 -3.212 1.00 0.00 H new ATOM 0 HB2 LYS A 463 2.862 2.773 -4.798 1.00 0.00 H new ATOM 0 HB3 LYS A 463 1.579 1.754 -5.419 1.00 0.00 H new ATOM 0 HG2 LYS A 463 0.222 2.072 -3.551 1.00 0.00 H new ATOM 0 HG3 LYS A 463 1.571 2.425 -2.490 1.00 0.00 H new ATOM 0 HD2 LYS A 463 0.324 4.477 -2.925 1.00 0.00 H new ATOM 0 HD3 LYS A 463 1.918 4.601 -3.643 1.00 0.00 H new ATOM 0 HE2 LYS A 463 0.704 3.637 -5.798 1.00 0.00 H new ATOM 0 HE3 LYS A 463 -0.747 4.213 -5.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 463 0.171 5.888 -6.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 463 0.240 6.427 -4.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 463 1.647 5.869 -5.632 1.00 0.00 H new ATOM 235 N ILE A 464 2.095 -0.688 -2.250 1.00 0.00 N ATOM 236 CA ILE A 464 1.215 -1.666 -1.624 1.00 0.00 C ATOM 237 C ILE A 464 0.061 -0.982 -0.899 1.00 0.00 C ATOM 238 O ILE A 464 0.271 -0.220 0.046 1.00 0.00 O ATOM 239 CB ILE A 464 1.980 -2.554 -0.625 1.00 0.00 C ATOM 240 CG1 ILE A 464 3.058 -3.363 -1.349 1.00 0.00 C ATOM 241 CG2 ILE A 464 1.018 -3.479 0.106 1.00 0.00 C ATOM 242 CD1 ILE A 464 4.203 -3.782 -0.454 1.00 0.00 C ATOM 0 H ILE A 464 2.866 -0.375 -1.660 1.00 0.00 H new ATOM 0 HA ILE A 464 0.819 -2.292 -2.424 1.00 0.00 H new ATOM 0 HB ILE A 464 2.466 -1.912 0.110 1.00 0.00 H new ATOM 0 HG12 ILE A 464 2.603 -4.253 -1.783 1.00 0.00 H new ATOM 0 HG13 ILE A 464 3.451 -2.771 -2.175 1.00 0.00 H new ATOM 0 HG21 ILE A 464 1.574 -4.100 0.808 1.00 0.00 H new ATOM 0 HG22 ILE A 464 0.284 -2.884 0.650 1.00 0.00 H new ATOM 0 HG23 ILE A 464 0.507 -4.116 -0.616 1.00 0.00 H new ATOM 0 HD11 ILE A 464 4.929 -4.351 -1.034 1.00 0.00 H new ATOM 0 HD12 ILE A 464 4.684 -2.896 -0.040 1.00 0.00 H new ATOM 0 HD13 ILE A 464 3.822 -4.401 0.358 1.00 0.00 H new ATOM 254 N LEU A 465 -1.159 -1.260 -1.346 1.00 0.00 N ATOM 255 CA LEU A 465 -2.349 -0.674 -0.739 1.00 0.00 C ATOM 256 C LEU A 465 -3.178 -1.738 -0.027 1.00 0.00 C ATOM 257 O LEU A 465 -3.920 -2.488 -0.661 1.00 0.00 O ATOM 258 CB LEU A 465 -3.198 0.024 -1.803 1.00 0.00 C ATOM 259 CG LEU A 465 -4.660 0.277 -1.435 1.00 0.00 C ATOM 260 CD1 LEU A 465 -4.766 1.385 -0.399 1.00 0.00 C ATOM 261 CD2 LEU A 465 -5.469 0.625 -2.676 1.00 0.00 C ATOM 0 H LEU A 465 -1.350 -1.888 -2.127 1.00 0.00 H new ATOM 0 HA LEU A 465 -2.026 0.061 -0.002 1.00 0.00 H new ATOM 0 HB2 LEU A 465 -2.733 0.981 -2.040 1.00 0.00 H new ATOM 0 HB3 LEU A 465 -3.172 -0.577 -2.712 1.00 0.00 H new ATOM 0 HG LEU A 465 -5.069 -0.636 -1.003 1.00 0.00 H new ATOM 0 HD11 LEU A 465 -5.814 1.551 -0.150 1.00 0.00 H new ATOM 0 HD12 LEU A 465 -4.220 1.096 0.499 1.00 0.00 H new ATOM 0 HD13 LEU A 465 -4.340 2.303 -0.803 1.00 0.00 H new ATOM 0 HD21 LEU A 465 -6.507 0.802 -2.396 1.00 0.00 H new ATOM 0 HD22 LEU A 465 -5.059 1.524 -3.137 1.00 0.00 H new ATOM 0 HD23 LEU A 465 -5.420 -0.201 -3.385 1.00 0.00 H new ATOM 273 N VAL A 466 -3.049 -1.795 1.295 1.00 0.00 N ATOM 274 CA VAL A 466 -3.789 -2.765 2.094 1.00 0.00 C ATOM 275 C VAL A 466 -5.191 -2.258 2.413 1.00 0.00 C ATOM 276 O VAL A 466 -5.358 -1.172 2.968 1.00 0.00 O ATOM 277 CB VAL A 466 -3.057 -3.082 3.412 1.00 0.00 C ATOM 278 CG1 VAL A 466 -2.784 -1.804 4.191 1.00 0.00 C ATOM 279 CG2 VAL A 466 -3.865 -4.064 4.246 1.00 0.00 C ATOM 0 H VAL A 466 -2.439 -1.181 1.835 1.00 0.00 H new ATOM 0 HA VAL A 466 -3.861 -3.676 1.500 1.00 0.00 H new ATOM 0 HB VAL A 466 -2.099 -3.545 3.175 1.00 0.00 H new ATOM 0 HG11 VAL A 466 -2.266 -2.047 5.119 1.00 0.00 H new ATOM 0 HG12 VAL A 466 -2.162 -1.139 3.592 1.00 0.00 H new ATOM 0 HG13 VAL A 466 -3.728 -1.309 4.421 1.00 0.00 H new ATOM 0 HG21 VAL A 466 -3.334 -4.277 5.173 1.00 0.00 H new ATOM 0 HG22 VAL A 466 -4.838 -3.631 4.477 1.00 0.00 H new ATOM 0 HG23 VAL A 466 -4.003 -4.989 3.686 1.00 0.00 H new ATOM 289 N ARG A 467 -6.196 -3.053 2.059 1.00 0.00 N ATOM 290 CA ARG A 467 -7.584 -2.685 2.307 1.00 0.00 C ATOM 291 C ARG A 467 -8.241 -3.662 3.277 1.00 0.00 C ATOM 292 O ARG A 467 -7.664 -4.693 3.621 1.00 0.00 O ATOM 293 CB ARG A 467 -8.368 -2.650 0.993 1.00 0.00 C ATOM 294 CG ARG A 467 -8.316 -1.304 0.289 1.00 0.00 C ATOM 295 CD ARG A 467 -9.283 -1.252 -0.884 1.00 0.00 C ATOM 296 NE ARG A 467 -10.650 -0.971 -0.454 1.00 0.00 N ATOM 297 CZ ARG A 467 -11.633 -0.655 -1.290 1.00 0.00 C ATOM 298 NH1 ARG A 467 -11.401 -0.579 -2.593 1.00 0.00 N ATOM 299 NH2 ARG A 467 -12.851 -0.413 -0.822 1.00 0.00 N ATOM 0 H ARG A 467 -6.074 -3.956 1.600 1.00 0.00 H new ATOM 0 HA ARG A 467 -7.595 -1.692 2.756 1.00 0.00 H new ATOM 0 HB2 ARG A 467 -7.975 -3.416 0.324 1.00 0.00 H new ATOM 0 HB3 ARG A 467 -9.408 -2.906 1.193 1.00 0.00 H new ATOM 0 HG2 ARG A 467 -8.558 -0.512 0.997 1.00 0.00 H new ATOM 0 HG3 ARG A 467 -7.302 -1.116 -0.065 1.00 0.00 H new ATOM 0 HD2 ARG A 467 -8.959 -0.485 -1.587 1.00 0.00 H new ATOM 0 HD3 ARG A 467 -9.259 -2.203 -1.416 1.00 0.00 H new ATOM 0 HE ARG A 467 -10.862 -1.020 0.543 1.00 0.00 H new ATOM 0 HH11 ARG A 467 -10.466 -0.763 -2.956 1.00 0.00 H new ATOM 0 HH12 ARG A 467 -12.158 -0.336 -3.232 1.00 0.00 H new ATOM 0 HH21 ARG A 467 -13.033 -0.470 0.180 1.00 0.00 H new ATOM 0 HH22 ARG A 467 -13.605 -0.170 -1.464 1.00 0.00 H new ATOM 313 N ASN A 468 -9.451 -3.330 3.716 1.00 0.00 N ATOM 314 CA ASN A 468 -10.186 -4.177 4.648 1.00 0.00 C ATOM 315 C ASN A 468 -9.496 -4.215 6.009 1.00 0.00 C ATOM 316 O ASN A 468 -9.499 -5.241 6.689 1.00 0.00 O ATOM 317 CB ASN A 468 -10.312 -5.596 4.088 1.00 0.00 C ATOM 318 CG ASN A 468 -11.546 -6.312 4.602 1.00 0.00 C ATOM 319 OD1 ASN A 468 -12.667 -6.011 4.194 1.00 0.00 O ATOM 320 ND2 ASN A 468 -11.343 -7.267 5.503 1.00 0.00 N ATOM 0 H ASN A 468 -9.943 -2.480 3.441 1.00 0.00 H new ATOM 0 HA ASN A 468 -11.182 -3.754 4.777 1.00 0.00 H new ATOM 0 HB2 ASN A 468 -10.347 -5.552 2.999 1.00 0.00 H new ATOM 0 HB3 ASN A 468 -9.424 -6.170 4.355 1.00 0.00 H new ATOM 0 HD21 ASN A 468 -12.135 -7.784 5.885 1.00 0.00 H new ATOM 0 HD22 ASN A 468 -10.395 -7.483 5.813 1.00 0.00 H new ATOM 327 N ILE A 469 -8.908 -3.089 6.399 1.00 0.00 N ATOM 328 CA ILE A 469 -8.217 -2.993 7.678 1.00 0.00 C ATOM 329 C ILE A 469 -9.209 -2.899 8.833 1.00 0.00 C ATOM 330 O ILE A 469 -10.217 -2.196 8.763 1.00 0.00 O ATOM 331 CB ILE A 469 -7.279 -1.772 7.721 1.00 0.00 C ATOM 332 CG1 ILE A 469 -6.253 -1.850 6.589 1.00 0.00 C ATOM 333 CG2 ILE A 469 -6.581 -1.688 9.070 1.00 0.00 C ATOM 334 CD1 ILE A 469 -5.465 -0.573 6.399 1.00 0.00 C ATOM 0 H ILE A 469 -8.897 -2.231 5.848 1.00 0.00 H new ATOM 0 HA ILE A 469 -7.623 -3.901 7.785 1.00 0.00 H new ATOM 0 HB ILE A 469 -7.875 -0.869 7.585 1.00 0.00 H new ATOM 0 HG12 ILE A 469 -5.561 -2.667 6.792 1.00 0.00 H new ATOM 0 HG13 ILE A 469 -6.768 -2.092 5.659 1.00 0.00 H new ATOM 0 HG21 ILE A 469 -5.922 -0.820 9.085 1.00 0.00 H new ATOM 0 HG22 ILE A 469 -7.326 -1.591 9.860 1.00 0.00 H new ATOM 0 HG23 ILE A 469 -5.995 -2.592 9.233 1.00 0.00 H new ATOM 0 HD11 ILE A 469 -4.757 -0.701 5.580 1.00 0.00 H new ATOM 0 HD12 ILE A 469 -6.147 0.244 6.165 1.00 0.00 H new ATOM 0 HD13 ILE A 469 -4.922 -0.341 7.315 1.00 0.00 H new ATOM 346 N PRO A 470 -8.917 -3.623 9.924 1.00 0.00 N ATOM 347 CA PRO A 470 -9.769 -3.636 11.116 1.00 0.00 C ATOM 348 C PRO A 470 -9.736 -2.309 11.868 1.00 0.00 C ATOM 349 O PRO A 470 -8.870 -1.469 11.625 1.00 0.00 O ATOM 350 CB PRO A 470 -9.164 -4.751 11.973 1.00 0.00 C ATOM 351 CG PRO A 470 -7.740 -4.830 11.541 1.00 0.00 C ATOM 352 CD PRO A 470 -7.732 -4.484 10.078 1.00 0.00 C ATOM 0 HA PRO A 470 -10.818 -3.794 10.865 1.00 0.00 H new ATOM 0 HB2 PRO A 470 -9.243 -4.521 13.036 1.00 0.00 H new ATOM 0 HB3 PRO A 470 -9.680 -5.698 11.812 1.00 0.00 H new ATOM 0 HG2 PRO A 470 -7.121 -4.136 12.110 1.00 0.00 H new ATOM 0 HG3 PRO A 470 -7.336 -5.829 11.708 1.00 0.00 H new ATOM 0 HD2 PRO A 470 -6.818 -3.964 9.793 1.00 0.00 H new ATOM 0 HD3 PRO A 470 -7.799 -5.375 9.454 1.00 0.00 H new ATOM 360 N PHE A 471 -10.684 -2.128 12.781 1.00 0.00 N ATOM 361 CA PHE A 471 -10.763 -0.903 13.568 1.00 0.00 C ATOM 362 C PHE A 471 -9.593 -0.806 14.543 1.00 0.00 C ATOM 363 O PHE A 471 -9.064 0.278 14.787 1.00 0.00 O ATOM 364 CB PHE A 471 -12.086 -0.848 14.334 1.00 0.00 C ATOM 365 CG PHE A 471 -13.203 -0.212 13.557 1.00 0.00 C ATOM 366 CD1 PHE A 471 -13.939 -0.951 12.645 1.00 0.00 C ATOM 367 CD2 PHE A 471 -13.518 1.125 13.739 1.00 0.00 C ATOM 368 CE1 PHE A 471 -14.967 -0.368 11.928 1.00 0.00 C ATOM 369 CE2 PHE A 471 -14.545 1.714 13.025 1.00 0.00 C ATOM 370 CZ PHE A 471 -15.271 0.966 12.120 1.00 0.00 C ATOM 0 H PHE A 471 -11.408 -2.814 12.994 1.00 0.00 H new ATOM 0 HA PHE A 471 -10.713 -0.057 12.883 1.00 0.00 H new ATOM 0 HB2 PHE A 471 -12.378 -1.861 14.612 1.00 0.00 H new ATOM 0 HB3 PHE A 471 -11.937 -0.294 15.261 1.00 0.00 H new ATOM 0 HD1 PHE A 471 -13.707 -1.995 12.493 1.00 0.00 H new ATOM 0 HD2 PHE A 471 -12.954 1.714 14.447 1.00 0.00 H new ATOM 0 HE1 PHE A 471 -15.532 -0.955 11.219 1.00 0.00 H new ATOM 0 HE2 PHE A 471 -14.779 2.758 13.175 1.00 0.00 H new ATOM 0 HZ PHE A 471 -16.075 1.423 11.563 1.00 0.00 H new ATOM 380 N GLN A 472 -9.197 -1.947 15.097 1.00 0.00 N ATOM 381 CA GLN A 472 -8.091 -1.991 16.046 1.00 0.00 C ATOM 382 C GLN A 472 -6.780 -1.595 15.374 1.00 0.00 C ATOM 383 O GLN A 472 -5.977 -0.857 15.944 1.00 0.00 O ATOM 384 CB GLN A 472 -7.965 -3.390 16.651 1.00 0.00 C ATOM 385 CG GLN A 472 -8.797 -3.587 17.908 1.00 0.00 C ATOM 386 CD GLN A 472 -8.266 -2.796 19.088 1.00 0.00 C ATOM 387 OE1 GLN A 472 -8.749 -1.703 19.385 1.00 0.00 O ATOM 388 NE2 GLN A 472 -7.267 -3.346 19.768 1.00 0.00 N ATOM 0 H GLN A 472 -9.625 -2.853 14.905 1.00 0.00 H new ATOM 0 HA GLN A 472 -8.301 -1.276 16.842 1.00 0.00 H new ATOM 0 HB2 GLN A 472 -8.266 -4.127 15.907 1.00 0.00 H new ATOM 0 HB3 GLN A 472 -6.918 -3.583 16.885 1.00 0.00 H new ATOM 0 HG2 GLN A 472 -9.826 -3.288 17.709 1.00 0.00 H new ATOM 0 HG3 GLN A 472 -8.816 -4.646 18.164 1.00 0.00 H new ATOM 0 HE21 GLN A 472 -6.897 -4.254 19.486 1.00 0.00 H new ATOM 0 HE22 GLN A 472 -6.869 -2.860 20.572 1.00 0.00 H new ATOM 397 N ALA A 473 -6.571 -2.090 14.158 1.00 0.00 N ATOM 398 CA ALA A 473 -5.359 -1.787 13.408 1.00 0.00 C ATOM 399 C ALA A 473 -5.161 -0.281 13.270 1.00 0.00 C ATOM 400 O ALA A 473 -6.102 0.453 12.972 1.00 0.00 O ATOM 401 CB ALA A 473 -5.410 -2.442 12.036 1.00 0.00 C ATOM 0 H ALA A 473 -7.226 -2.703 13.672 1.00 0.00 H new ATOM 0 HA ALA A 473 -4.510 -2.190 13.960 1.00 0.00 H new ATOM 0 HB1 ALA A 473 -4.498 -2.207 11.487 1.00 0.00 H new ATOM 0 HB2 ALA A 473 -5.496 -3.522 12.152 1.00 0.00 H new ATOM 0 HB3 ALA A 473 -6.272 -2.066 11.485 1.00 0.00 H new ATOM 407 N ASN A 474 -3.931 0.172 13.490 1.00 0.00 N ATOM 408 CA ASN A 474 -3.610 1.591 13.391 1.00 0.00 C ATOM 409 C ASN A 474 -2.444 1.820 12.435 1.00 0.00 C ATOM 410 O ASN A 474 -1.855 0.870 11.920 1.00 0.00 O ATOM 411 CB ASN A 474 -3.270 2.155 14.772 1.00 0.00 C ATOM 412 CG ASN A 474 -4.506 2.409 15.614 1.00 0.00 C ATOM 413 OD1 ASN A 474 -4.841 1.622 16.499 1.00 0.00 O ATOM 414 ND2 ASN A 474 -5.191 3.513 15.340 1.00 0.00 N ATOM 0 H ASN A 474 -3.140 -0.423 13.738 1.00 0.00 H new ATOM 0 HA ASN A 474 -4.485 2.109 12.999 1.00 0.00 H new ATOM 0 HB2 ASN A 474 -2.615 1.458 15.295 1.00 0.00 H new ATOM 0 HB3 ASN A 474 -2.716 3.086 14.655 1.00 0.00 H new ATOM 0 HD21 ASN A 474 -6.032 3.737 15.872 1.00 0.00 H new ATOM 0 HD22 ASN A 474 -4.876 4.137 14.597 1.00 0.00 H new ATOM 421 N GLN A 475 -2.116 3.087 12.203 1.00 0.00 N ATOM 422 CA GLN A 475 -1.020 3.440 11.308 1.00 0.00 C ATOM 423 C GLN A 475 0.267 2.732 11.718 1.00 0.00 C ATOM 424 O GLN A 475 0.887 2.037 10.913 1.00 0.00 O ATOM 425 CB GLN A 475 -0.805 4.955 11.305 1.00 0.00 C ATOM 426 CG GLN A 475 0.508 5.381 10.668 1.00 0.00 C ATOM 427 CD GLN A 475 1.686 5.247 11.613 1.00 0.00 C ATOM 428 OE1 GLN A 475 2.551 4.391 11.427 1.00 0.00 O ATOM 429 NE2 GLN A 475 1.726 6.096 12.633 1.00 0.00 N ATOM 0 H GLN A 475 -2.593 3.885 12.622 1.00 0.00 H new ATOM 0 HA GLN A 475 -1.286 3.116 10.302 1.00 0.00 H new ATOM 0 HB2 GLN A 475 -1.629 5.430 10.772 1.00 0.00 H new ATOM 0 HB3 GLN A 475 -0.837 5.320 12.331 1.00 0.00 H new ATOM 0 HG2 GLN A 475 0.689 4.776 9.779 1.00 0.00 H new ATOM 0 HG3 GLN A 475 0.428 6.417 10.338 1.00 0.00 H new ATOM 0 HE21 GLN A 475 0.987 6.790 12.748 1.00 0.00 H new ATOM 0 HE22 GLN A 475 2.496 6.055 13.301 1.00 0.00 H new ATOM 438 N ARG A 476 0.663 2.915 12.973 1.00 0.00 N ATOM 439 CA ARG A 476 1.877 2.295 13.489 1.00 0.00 C ATOM 440 C ARG A 476 1.896 0.800 13.183 1.00 0.00 C ATOM 441 O ARG A 476 2.916 0.257 12.760 1.00 0.00 O ATOM 442 CB ARG A 476 1.988 2.519 14.998 1.00 0.00 C ATOM 443 CG ARG A 476 2.731 3.791 15.372 1.00 0.00 C ATOM 444 CD ARG A 476 2.484 4.175 16.823 1.00 0.00 C ATOM 445 NE ARG A 476 3.576 4.976 17.370 1.00 0.00 N ATOM 446 CZ ARG A 476 4.735 4.465 17.769 1.00 0.00 C ATOM 447 NH1 ARG A 476 4.952 3.160 17.682 1.00 0.00 N ATOM 448 NH2 ARG A 476 5.679 5.259 18.256 1.00 0.00 N ATOM 0 H ARG A 476 0.161 3.488 13.651 1.00 0.00 H new ATOM 0 HA ARG A 476 2.730 2.760 12.996 1.00 0.00 H new ATOM 0 HB2 ARG A 476 0.986 2.554 15.426 1.00 0.00 H new ATOM 0 HB3 ARG A 476 2.497 1.666 15.447 1.00 0.00 H new ATOM 0 HG2 ARG A 476 3.800 3.651 15.209 1.00 0.00 H new ATOM 0 HG3 ARG A 476 2.413 4.605 14.720 1.00 0.00 H new ATOM 0 HD2 ARG A 476 1.552 4.735 16.896 1.00 0.00 H new ATOM 0 HD3 ARG A 476 2.362 3.272 17.421 1.00 0.00 H new ATOM 0 HE ARG A 476 3.441 5.984 17.450 1.00 0.00 H new ATOM 0 HH11 ARG A 476 4.228 2.546 17.308 1.00 0.00 H new ATOM 0 HH12 ARG A 476 5.843 2.770 17.989 1.00 0.00 H new ATOM 0 HH21 ARG A 476 5.515 6.263 18.324 1.00 0.00 H new ATOM 0 HH22 ARG A 476 6.569 4.865 18.562 1.00 0.00 H new ATOM 462 N GLU A 477 0.762 0.141 13.402 1.00 0.00 N ATOM 463 CA GLU A 477 0.650 -1.291 13.151 1.00 0.00 C ATOM 464 C GLU A 477 1.075 -1.628 11.724 1.00 0.00 C ATOM 465 O GLU A 477 2.002 -2.410 11.510 1.00 0.00 O ATOM 466 CB GLU A 477 -0.785 -1.763 13.392 1.00 0.00 C ATOM 467 CG GLU A 477 -1.051 -2.195 14.824 1.00 0.00 C ATOM 468 CD GLU A 477 0.042 -3.089 15.376 1.00 0.00 C ATOM 469 OE1 GLU A 477 0.424 -4.056 14.684 1.00 0.00 O ATOM 470 OE2 GLU A 477 0.515 -2.822 16.501 1.00 0.00 O ATOM 0 H GLU A 477 -0.091 0.576 13.752 1.00 0.00 H new ATOM 0 HA GLU A 477 1.316 -1.808 13.842 1.00 0.00 H new ATOM 0 HB2 GLU A 477 -1.472 -0.958 13.131 1.00 0.00 H new ATOM 0 HB3 GLU A 477 -1.001 -2.596 12.724 1.00 0.00 H new ATOM 0 HG2 GLU A 477 -1.145 -1.311 15.455 1.00 0.00 H new ATOM 0 HG3 GLU A 477 -2.004 -2.722 14.869 1.00 0.00 H new ATOM 477 N ILE A 478 0.391 -1.032 10.753 1.00 0.00 N ATOM 478 CA ILE A 478 0.698 -1.269 9.348 1.00 0.00 C ATOM 479 C ILE A 478 2.173 -1.013 9.057 1.00 0.00 C ATOM 480 O ILE A 478 2.821 -1.790 8.356 1.00 0.00 O ATOM 481 CB ILE A 478 -0.158 -0.378 8.428 1.00 0.00 C ATOM 482 CG1 ILE A 478 -1.645 -0.578 8.727 1.00 0.00 C ATOM 483 CG2 ILE A 478 0.140 -0.685 6.968 1.00 0.00 C ATOM 484 CD1 ILE A 478 -2.148 -1.964 8.387 1.00 0.00 C ATOM 0 H ILE A 478 -0.379 -0.382 10.913 1.00 0.00 H new ATOM 0 HA ILE A 478 0.467 -2.315 9.146 1.00 0.00 H new ATOM 0 HB ILE A 478 0.094 0.665 8.619 1.00 0.00 H new ATOM 0 HG12 ILE A 478 -1.824 -0.384 9.785 1.00 0.00 H new ATOM 0 HG13 ILE A 478 -2.222 0.157 8.166 1.00 0.00 H new ATOM 0 HG21 ILE A 478 -0.472 -0.048 6.330 1.00 0.00 H new ATOM 0 HG22 ILE A 478 1.194 -0.497 6.764 1.00 0.00 H new ATOM 0 HG23 ILE A 478 -0.088 -1.731 6.762 1.00 0.00 H new ATOM 0 HD11 ILE A 478 -3.209 -2.034 8.625 1.00 0.00 H new ATOM 0 HD12 ILE A 478 -2.001 -2.154 7.324 1.00 0.00 H new ATOM 0 HD13 ILE A 478 -1.596 -2.704 8.967 1.00 0.00 H new ATOM 496 N ARG A 479 2.697 0.081 9.600 1.00 0.00 N ATOM 497 CA ARG A 479 4.095 0.439 9.399 1.00 0.00 C ATOM 498 C ARG A 479 5.012 -0.730 9.749 1.00 0.00 C ATOM 499 O ARG A 479 5.690 -1.279 8.881 1.00 0.00 O ATOM 500 CB ARG A 479 4.459 1.658 10.249 1.00 0.00 C ATOM 501 CG ARG A 479 5.553 2.520 9.640 1.00 0.00 C ATOM 502 CD ARG A 479 5.741 3.813 10.419 1.00 0.00 C ATOM 503 NE ARG A 479 6.039 3.565 11.827 1.00 0.00 N ATOM 504 CZ ARG A 479 5.811 4.448 12.793 1.00 0.00 C ATOM 505 NH1 ARG A 479 5.286 5.631 12.504 1.00 0.00 N ATOM 506 NH2 ARG A 479 6.109 4.149 14.051 1.00 0.00 N ATOM 0 H ARG A 479 2.174 0.735 10.183 1.00 0.00 H new ATOM 0 HA ARG A 479 4.233 0.684 8.346 1.00 0.00 H new ATOM 0 HB2 ARG A 479 3.567 2.267 10.396 1.00 0.00 H new ATOM 0 HB3 ARG A 479 4.780 1.321 11.234 1.00 0.00 H new ATOM 0 HG2 ARG A 479 6.490 1.964 9.625 1.00 0.00 H new ATOM 0 HG3 ARG A 479 5.302 2.751 8.605 1.00 0.00 H new ATOM 0 HD2 ARG A 479 6.551 4.390 9.973 1.00 0.00 H new ATOM 0 HD3 ARG A 479 4.838 4.418 10.341 1.00 0.00 H new ATOM 0 HE ARG A 479 6.444 2.665 12.083 1.00 0.00 H new ATOM 0 HH11 ARG A 479 5.056 5.865 11.538 1.00 0.00 H new ATOM 0 HH12 ARG A 479 5.112 6.307 13.248 1.00 0.00 H new ATOM 0 HH21 ARG A 479 6.514 3.240 14.277 1.00 0.00 H new ATOM 0 HH22 ARG A 479 5.934 4.828 14.792 1.00 0.00 H new ATOM 520 N GLU A 480 5.025 -1.104 11.024 1.00 0.00 N ATOM 521 CA GLU A 480 5.859 -2.207 11.488 1.00 0.00 C ATOM 522 C GLU A 480 5.466 -3.512 10.802 1.00 0.00 C ATOM 523 O GLU A 480 6.303 -4.389 10.584 1.00 0.00 O ATOM 524 CB GLU A 480 5.743 -2.360 13.006 1.00 0.00 C ATOM 525 CG GLU A 480 6.720 -1.493 13.781 1.00 0.00 C ATOM 526 CD GLU A 480 8.120 -2.075 13.813 1.00 0.00 C ATOM 527 OE1 GLU A 480 8.280 -3.206 14.319 1.00 0.00 O ATOM 528 OE2 GLU A 480 9.054 -1.402 13.332 1.00 0.00 O ATOM 0 H GLU A 480 4.468 -0.660 11.754 1.00 0.00 H new ATOM 0 HA GLU A 480 6.894 -1.979 11.232 1.00 0.00 H new ATOM 0 HB2 GLU A 480 4.727 -2.110 13.311 1.00 0.00 H new ATOM 0 HB3 GLU A 480 5.908 -3.404 13.271 1.00 0.00 H new ATOM 0 HG2 GLU A 480 6.754 -0.500 13.332 1.00 0.00 H new ATOM 0 HG3 GLU A 480 6.359 -1.369 14.802 1.00 0.00 H new ATOM 535 N LEU A 481 4.187 -3.634 10.464 1.00 0.00 N ATOM 536 CA LEU A 481 3.680 -4.832 9.803 1.00 0.00 C ATOM 537 C LEU A 481 4.496 -5.151 8.555 1.00 0.00 C ATOM 538 O LEU A 481 4.927 -6.286 8.355 1.00 0.00 O ATOM 539 CB LEU A 481 2.208 -4.649 9.432 1.00 0.00 C ATOM 540 CG LEU A 481 1.493 -5.889 8.892 1.00 0.00 C ATOM 541 CD1 LEU A 481 1.328 -6.930 9.988 1.00 0.00 C ATOM 542 CD2 LEU A 481 0.141 -5.511 8.304 1.00 0.00 C ATOM 0 H LEU A 481 3.482 -2.918 10.637 1.00 0.00 H new ATOM 0 HA LEU A 481 3.771 -5.667 10.497 1.00 0.00 H new ATOM 0 HB2 LEU A 481 1.672 -4.301 10.315 1.00 0.00 H new ATOM 0 HB3 LEU A 481 2.138 -3.859 8.684 1.00 0.00 H new ATOM 0 HG LEU A 481 2.104 -6.321 8.099 1.00 0.00 H new ATOM 0 HD11 LEU A 481 0.817 -7.805 9.585 1.00 0.00 H new ATOM 0 HD12 LEU A 481 2.309 -7.223 10.362 1.00 0.00 H new ATOM 0 HD13 LEU A 481 0.739 -6.510 10.803 1.00 0.00 H new ATOM 0 HD21 LEU A 481 -0.354 -6.405 7.925 1.00 0.00 H new ATOM 0 HD22 LEU A 481 -0.477 -5.055 9.077 1.00 0.00 H new ATOM 0 HD23 LEU A 481 0.284 -4.802 7.489 1.00 0.00 H new ATOM 554 N PHE A 482 4.705 -4.140 7.717 1.00 0.00 N ATOM 555 CA PHE A 482 5.471 -4.313 6.488 1.00 0.00 C ATOM 556 C PHE A 482 6.966 -4.160 6.752 1.00 0.00 C ATOM 557 O PHE A 482 7.789 -4.823 6.120 1.00 0.00 O ATOM 558 CB PHE A 482 5.021 -3.297 5.435 1.00 0.00 C ATOM 559 CG PHE A 482 3.756 -3.688 4.726 1.00 0.00 C ATOM 560 CD1 PHE A 482 2.519 -3.356 5.254 1.00 0.00 C ATOM 561 CD2 PHE A 482 3.804 -4.389 3.532 1.00 0.00 C ATOM 562 CE1 PHE A 482 1.353 -3.714 4.604 1.00 0.00 C ATOM 563 CE2 PHE A 482 2.642 -4.749 2.877 1.00 0.00 C ATOM 564 CZ PHE A 482 1.415 -4.412 3.414 1.00 0.00 C ATOM 0 H PHE A 482 4.355 -3.194 7.867 1.00 0.00 H new ATOM 0 HA PHE A 482 5.288 -5.320 6.114 1.00 0.00 H new ATOM 0 HB2 PHE A 482 4.875 -2.329 5.915 1.00 0.00 H new ATOM 0 HB3 PHE A 482 5.816 -3.171 4.700 1.00 0.00 H new ATOM 0 HD1 PHE A 482 2.465 -2.811 6.185 1.00 0.00 H new ATOM 0 HD2 PHE A 482 4.761 -4.657 3.108 1.00 0.00 H new ATOM 0 HE1 PHE A 482 0.395 -3.448 5.026 1.00 0.00 H new ATOM 0 HE2 PHE A 482 2.693 -5.294 1.946 1.00 0.00 H new ATOM 0 HZ PHE A 482 0.506 -4.694 2.904 1.00 0.00 H new ATOM 574 N SER A 483 7.309 -3.283 7.689 1.00 0.00 N ATOM 575 CA SER A 483 8.704 -3.039 8.035 1.00 0.00 C ATOM 576 C SER A 483 9.430 -4.351 8.319 1.00 0.00 C ATOM 577 O SER A 483 10.599 -4.516 7.968 1.00 0.00 O ATOM 578 CB SER A 483 8.797 -2.118 9.253 1.00 0.00 C ATOM 579 OG SER A 483 8.801 -2.864 10.458 1.00 0.00 O ATOM 0 H SER A 483 6.639 -2.729 8.223 1.00 0.00 H new ATOM 0 HA SER A 483 9.184 -2.554 7.185 1.00 0.00 H new ATOM 0 HB2 SER A 483 9.705 -1.518 9.190 1.00 0.00 H new ATOM 0 HB3 SER A 483 7.956 -1.425 9.254 1.00 0.00 H new ATOM 0 HG SER A 483 8.003 -3.431 10.494 1.00 0.00 H new ATOM 585 N THR A 484 8.728 -5.283 8.956 1.00 0.00 N ATOM 586 CA THR A 484 9.305 -6.579 9.289 1.00 0.00 C ATOM 587 C THR A 484 9.930 -7.234 8.063 1.00 0.00 C ATOM 588 O THR A 484 10.815 -8.081 8.182 1.00 0.00 O ATOM 589 CB THR A 484 8.246 -7.529 9.881 1.00 0.00 C ATOM 590 OG1 THR A 484 7.663 -6.944 11.051 1.00 0.00 O ATOM 591 CG2 THR A 484 8.863 -8.874 10.234 1.00 0.00 C ATOM 0 H THR A 484 7.759 -5.164 9.251 1.00 0.00 H new ATOM 0 HA THR A 484 10.079 -6.399 10.035 1.00 0.00 H new ATOM 0 HB THR A 484 7.472 -7.688 9.130 1.00 0.00 H new ATOM 0 HG1 THR A 484 7.138 -6.157 10.796 1.00 0.00 H new ATOM 0 HG21 THR A 484 8.097 -9.528 10.650 1.00 0.00 H new ATOM 0 HG22 THR A 484 9.280 -9.330 9.336 1.00 0.00 H new ATOM 0 HG23 THR A 484 9.655 -8.729 10.969 1.00 0.00 H new ATOM 599 N PHE A 485 9.463 -6.837 6.883 1.00 0.00 N ATOM 600 CA PHE A 485 9.977 -7.386 5.634 1.00 0.00 C ATOM 601 C PHE A 485 11.160 -6.567 5.125 1.00 0.00 C ATOM 602 O PHE A 485 12.158 -7.118 4.664 1.00 0.00 O ATOM 603 CB PHE A 485 8.873 -7.421 4.575 1.00 0.00 C ATOM 604 CG PHE A 485 7.803 -8.437 4.857 1.00 0.00 C ATOM 605 CD1 PHE A 485 6.736 -8.127 5.685 1.00 0.00 C ATOM 606 CD2 PHE A 485 7.865 -9.701 4.294 1.00 0.00 C ATOM 607 CE1 PHE A 485 5.751 -9.061 5.947 1.00 0.00 C ATOM 608 CE2 PHE A 485 6.882 -10.639 4.552 1.00 0.00 C ATOM 609 CZ PHE A 485 5.824 -10.318 5.379 1.00 0.00 C ATOM 0 H PHE A 485 8.730 -6.137 6.766 1.00 0.00 H new ATOM 0 HA PHE A 485 10.318 -8.403 5.827 1.00 0.00 H new ATOM 0 HB2 PHE A 485 8.416 -6.434 4.505 1.00 0.00 H new ATOM 0 HB3 PHE A 485 9.319 -7.635 3.604 1.00 0.00 H new ATOM 0 HD1 PHE A 485 6.673 -7.145 6.130 1.00 0.00 H new ATOM 0 HD2 PHE A 485 8.690 -9.957 3.646 1.00 0.00 H new ATOM 0 HE1 PHE A 485 4.925 -8.808 6.595 1.00 0.00 H new ATOM 0 HE2 PHE A 485 6.942 -11.621 4.107 1.00 0.00 H new ATOM 0 HZ PHE A 485 5.055 -11.049 5.581 1.00 0.00 H new ATOM 619 N GLY A 486 11.038 -5.246 5.212 1.00 0.00 N ATOM 620 CA GLY A 486 12.102 -4.371 4.756 1.00 0.00 C ATOM 621 C GLY A 486 11.864 -2.922 5.134 1.00 0.00 C ATOM 622 O GLY A 486 10.881 -2.602 5.801 1.00 0.00 O ATOM 0 H GLY A 486 10.221 -4.766 5.590 1.00 0.00 H new ATOM 0 HA2 GLY A 486 13.049 -4.703 5.182 1.00 0.00 H new ATOM 0 HA3 GLY A 486 12.194 -4.450 3.673 1.00 0.00 H new ATOM 626 N GLU A 487 12.767 -2.045 4.707 1.00 0.00 N ATOM 627 CA GLU A 487 12.650 -0.623 5.007 1.00 0.00 C ATOM 628 C GLU A 487 11.464 -0.007 4.271 1.00 0.00 C ATOM 629 O GLU A 487 11.279 -0.230 3.073 1.00 0.00 O ATOM 630 CB GLU A 487 13.938 0.109 4.625 1.00 0.00 C ATOM 631 CG GLU A 487 13.944 1.577 5.016 1.00 0.00 C ATOM 632 CD GLU A 487 15.283 2.243 4.767 1.00 0.00 C ATOM 633 OE1 GLU A 487 16.281 1.821 5.388 1.00 0.00 O ATOM 634 OE2 GLU A 487 15.333 3.186 3.950 1.00 0.00 O ATOM 0 H GLU A 487 13.587 -2.294 4.153 1.00 0.00 H new ATOM 0 HA GLU A 487 12.485 -0.517 6.079 1.00 0.00 H new ATOM 0 HB2 GLU A 487 14.783 -0.388 5.101 1.00 0.00 H new ATOM 0 HB3 GLU A 487 14.086 0.028 3.548 1.00 0.00 H new ATOM 0 HG2 GLU A 487 13.172 2.102 4.454 1.00 0.00 H new ATOM 0 HG3 GLU A 487 13.688 1.669 6.071 1.00 0.00 H new ATOM 641 N LEU A 488 10.665 0.769 4.994 1.00 0.00 N ATOM 642 CA LEU A 488 9.495 1.418 4.410 1.00 0.00 C ATOM 643 C LEU A 488 9.753 2.904 4.186 1.00 0.00 C ATOM 644 O LEU A 488 10.468 3.545 4.957 1.00 0.00 O ATOM 645 CB LEU A 488 8.278 1.231 5.318 1.00 0.00 C ATOM 646 CG LEU A 488 7.851 -0.214 5.579 1.00 0.00 C ATOM 647 CD1 LEU A 488 6.874 -0.280 6.742 1.00 0.00 C ATOM 648 CD2 LEU A 488 7.236 -0.823 4.327 1.00 0.00 C ATOM 0 H LEU A 488 10.805 0.965 5.985 1.00 0.00 H new ATOM 0 HA LEU A 488 9.295 0.953 3.445 1.00 0.00 H new ATOM 0 HB2 LEU A 488 8.489 1.705 6.277 1.00 0.00 H new ATOM 0 HB3 LEU A 488 7.435 1.764 4.877 1.00 0.00 H new ATOM 0 HG LEU A 488 8.736 -0.793 5.842 1.00 0.00 H new ATOM 0 HD11 LEU A 488 6.581 -1.316 6.913 1.00 0.00 H new ATOM 0 HD12 LEU A 488 7.349 0.116 7.640 1.00 0.00 H new ATOM 0 HD13 LEU A 488 5.990 0.313 6.508 1.00 0.00 H new ATOM 0 HD21 LEU A 488 6.938 -1.851 4.531 1.00 0.00 H new ATOM 0 HD22 LEU A 488 6.361 -0.243 4.033 1.00 0.00 H new ATOM 0 HD23 LEU A 488 7.968 -0.811 3.519 1.00 0.00 H new ATOM 660 N LYS A 489 9.164 3.448 3.126 1.00 0.00 N ATOM 661 CA LYS A 489 9.326 4.860 2.801 1.00 0.00 C ATOM 662 C LYS A 489 8.371 5.721 3.623 1.00 0.00 C ATOM 663 O LYS A 489 8.801 6.554 4.421 1.00 0.00 O ATOM 664 CB LYS A 489 9.082 5.092 1.308 1.00 0.00 C ATOM 665 CG LYS A 489 10.334 4.957 0.459 1.00 0.00 C ATOM 666 CD LYS A 489 10.131 5.539 -0.930 1.00 0.00 C ATOM 667 CE LYS A 489 11.431 5.568 -1.718 1.00 0.00 C ATOM 668 NZ LYS A 489 11.193 5.755 -3.176 1.00 0.00 N ATOM 0 H LYS A 489 8.570 2.932 2.477 1.00 0.00 H new ATOM 0 HA LYS A 489 10.348 5.148 3.045 1.00 0.00 H new ATOM 0 HB2 LYS A 489 8.336 4.380 0.955 1.00 0.00 H new ATOM 0 HB3 LYS A 489 8.663 6.089 1.167 1.00 0.00 H new ATOM 0 HG2 LYS A 489 11.164 5.465 0.950 1.00 0.00 H new ATOM 0 HG3 LYS A 489 10.608 3.905 0.377 1.00 0.00 H new ATOM 0 HD2 LYS A 489 9.391 4.947 -1.469 1.00 0.00 H new ATOM 0 HD3 LYS A 489 9.732 6.550 -0.847 1.00 0.00 H new ATOM 0 HE2 LYS A 489 12.062 6.375 -1.347 1.00 0.00 H new ATOM 0 HE3 LYS A 489 11.975 4.637 -1.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 489 12.104 5.769 -3.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 489 10.612 4.971 -3.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 489 10.697 6.655 -3.334 1.00 0.00 H new ATOM 682 N THR A 490 7.074 5.513 3.423 1.00 0.00 N ATOM 683 CA THR A 490 6.058 6.269 4.146 1.00 0.00 C ATOM 684 C THR A 490 4.735 5.514 4.186 1.00 0.00 C ATOM 685 O THR A 490 4.377 4.818 3.235 1.00 0.00 O ATOM 686 CB THR A 490 5.828 7.652 3.508 1.00 0.00 C ATOM 687 OG1 THR A 490 4.967 8.438 4.339 1.00 0.00 O ATOM 688 CG2 THR A 490 5.216 7.514 2.122 1.00 0.00 C ATOM 0 H THR A 490 6.702 4.827 2.766 1.00 0.00 H new ATOM 0 HA THR A 490 6.427 6.403 5.163 1.00 0.00 H new ATOM 0 HB THR A 490 6.794 8.149 3.413 1.00 0.00 H new ATOM 0 HG1 THR A 490 4.827 9.316 3.927 1.00 0.00 H new ATOM 0 HG21 THR A 490 5.063 8.504 1.692 1.00 0.00 H new ATOM 0 HG22 THR A 490 5.888 6.940 1.483 1.00 0.00 H new ATOM 0 HG23 THR A 490 4.258 6.999 2.197 1.00 0.00 H new ATOM 696 N VAL A 491 4.011 5.656 5.291 1.00 0.00 N ATOM 697 CA VAL A 491 2.725 4.988 5.454 1.00 0.00 C ATOM 698 C VAL A 491 1.586 5.999 5.522 1.00 0.00 C ATOM 699 O VAL A 491 1.686 7.017 6.207 1.00 0.00 O ATOM 700 CB VAL A 491 2.701 4.118 6.725 1.00 0.00 C ATOM 701 CG1 VAL A 491 1.271 3.766 7.105 1.00 0.00 C ATOM 702 CG2 VAL A 491 3.533 2.860 6.524 1.00 0.00 C ATOM 0 H VAL A 491 4.293 6.228 6.087 1.00 0.00 H new ATOM 0 HA VAL A 491 2.588 4.348 4.582 1.00 0.00 H new ATOM 0 HB VAL A 491 3.138 4.689 7.544 1.00 0.00 H new ATOM 0 HG11 VAL A 491 1.275 3.151 8.005 1.00 0.00 H new ATOM 0 HG12 VAL A 491 0.709 4.681 7.293 1.00 0.00 H new ATOM 0 HG13 VAL A 491 0.803 3.213 6.290 1.00 0.00 H new ATOM 0 HG21 VAL A 491 3.505 2.257 7.431 1.00 0.00 H new ATOM 0 HG22 VAL A 491 3.127 2.284 5.693 1.00 0.00 H new ATOM 0 HG23 VAL A 491 4.564 3.137 6.304 1.00 0.00 H new ATOM 712 N ARG A 492 0.503 5.711 4.808 1.00 0.00 N ATOM 713 CA ARG A 492 -0.656 6.595 4.787 1.00 0.00 C ATOM 714 C ARG A 492 -1.913 5.855 5.237 1.00 0.00 C ATOM 715 O ARG A 492 -2.327 4.877 4.614 1.00 0.00 O ATOM 716 CB ARG A 492 -0.863 7.166 3.383 1.00 0.00 C ATOM 717 CG ARG A 492 0.408 7.712 2.755 1.00 0.00 C ATOM 718 CD ARG A 492 0.701 9.127 3.227 1.00 0.00 C ATOM 719 NE ARG A 492 1.675 9.799 2.371 1.00 0.00 N ATOM 720 CZ ARG A 492 2.433 10.812 2.776 1.00 0.00 C ATOM 721 NH1 ARG A 492 2.330 11.267 4.017 1.00 0.00 N ATOM 722 NH2 ARG A 492 3.297 11.372 1.939 1.00 0.00 N ATOM 0 H ARG A 492 0.404 4.872 4.236 1.00 0.00 H new ATOM 0 HA ARG A 492 -0.469 7.414 5.481 1.00 0.00 H new ATOM 0 HB2 ARG A 492 -1.271 6.386 2.739 1.00 0.00 H new ATOM 0 HB3 ARG A 492 -1.606 7.962 3.429 1.00 0.00 H new ATOM 0 HG2 ARG A 492 1.247 7.063 3.006 1.00 0.00 H new ATOM 0 HG3 ARG A 492 0.312 7.702 1.669 1.00 0.00 H new ATOM 0 HD2 ARG A 492 -0.225 9.702 3.244 1.00 0.00 H new ATOM 0 HD3 ARG A 492 1.077 9.097 4.250 1.00 0.00 H new ATOM 0 HE ARG A 492 1.779 9.473 1.410 1.00 0.00 H new ATOM 0 HH11 ARG A 492 1.667 10.839 4.664 1.00 0.00 H new ATOM 0 HH12 ARG A 492 2.913 12.045 4.325 1.00 0.00 H new ATOM 0 HH21 ARG A 492 3.380 11.025 0.983 1.00 0.00 H new ATOM 0 HH22 ARG A 492 3.878 12.150 2.251 1.00 0.00 H new ATOM 736 N LEU A 493 -2.515 6.328 6.323 1.00 0.00 N ATOM 737 CA LEU A 493 -3.724 5.711 6.857 1.00 0.00 C ATOM 738 C LEU A 493 -4.701 6.771 7.356 1.00 0.00 C ATOM 739 O LEU A 493 -4.310 7.845 7.814 1.00 0.00 O ATOM 740 CB LEU A 493 -3.371 4.752 7.995 1.00 0.00 C ATOM 741 CG LEU A 493 -3.086 3.305 7.589 1.00 0.00 C ATOM 742 CD1 LEU A 493 -1.608 3.117 7.287 1.00 0.00 C ATOM 743 CD2 LEU A 493 -3.536 2.346 8.681 1.00 0.00 C ATOM 0 H LEU A 493 -2.186 7.136 6.851 1.00 0.00 H new ATOM 0 HA LEU A 493 -4.202 5.151 6.053 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -2.495 5.142 8.514 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -4.192 4.752 8.712 1.00 0.00 H new ATOM 0 HG LEU A 493 -3.651 3.084 6.684 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -1.424 2.082 7.000 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -1.317 3.777 6.470 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -1.022 3.357 8.174 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -3.325 1.321 8.375 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -2.999 2.567 9.603 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -4.607 2.462 8.848 1.00 0.00 H new ATOM 899 N ARG A 504 -11.125 4.541 7.712 1.00 0.00 N ATOM 900 CA ARG A 504 -11.482 3.614 6.644 1.00 0.00 C ATOM 901 C ARG A 504 -10.531 2.421 6.619 1.00 0.00 C ATOM 902 O ARG A 504 -9.517 2.408 7.316 1.00 0.00 O ATOM 903 CB ARG A 504 -11.459 4.327 5.291 1.00 0.00 C ATOM 904 CG ARG A 504 -12.791 4.952 4.909 1.00 0.00 C ATOM 905 CD ARG A 504 -12.901 6.382 5.416 1.00 0.00 C ATOM 906 NE ARG A 504 -11.767 7.200 4.997 1.00 0.00 N ATOM 907 CZ ARG A 504 -11.408 8.325 5.606 1.00 0.00 C ATOM 908 NH1 ARG A 504 -12.090 8.762 6.655 1.00 0.00 N ATOM 909 NH2 ARG A 504 -10.363 9.015 5.165 1.00 0.00 N ATOM 0 HA ARG A 504 -12.491 3.249 6.837 1.00 0.00 H new ATOM 0 HB2 ARG A 504 -10.695 5.105 5.313 1.00 0.00 H new ATOM 0 HB3 ARG A 504 -11.167 3.615 4.519 1.00 0.00 H new ATOM 0 HG2 ARG A 504 -12.902 4.940 3.825 1.00 0.00 H new ATOM 0 HG3 ARG A 504 -13.605 4.355 5.320 1.00 0.00 H new ATOM 0 HD2 ARG A 504 -13.825 6.827 5.047 1.00 0.00 H new ATOM 0 HD3 ARG A 504 -12.962 6.377 6.504 1.00 0.00 H new ATOM 0 HE ARG A 504 -11.220 6.891 4.193 1.00 0.00 H new ATOM 0 HH11 ARG A 504 -12.893 8.234 6.997 1.00 0.00 H new ATOM 0 HH12 ARG A 504 -11.812 9.626 7.120 1.00 0.00 H new ATOM 0 HH21 ARG A 504 -9.835 8.682 4.358 1.00 0.00 H new ATOM 0 HH22 ARG A 504 -10.088 9.879 5.633 1.00 0.00 H new ATOM 923 N GLY A 505 -10.866 1.421 5.810 1.00 0.00 N ATOM 924 CA GLY A 505 -10.031 0.237 5.709 1.00 0.00 C ATOM 925 C GLY A 505 -9.173 0.238 4.460 1.00 0.00 C ATOM 926 O GLY A 505 -9.328 -0.620 3.591 1.00 0.00 O ATOM 0 H GLY A 505 -11.700 1.409 5.223 1.00 0.00 H new ATOM 0 HA2 GLY A 505 -9.389 0.173 6.587 1.00 0.00 H new ATOM 0 HA3 GLY A 505 -10.663 -0.651 5.711 1.00 0.00 H new ATOM 930 N PHE A 506 -8.265 1.204 4.368 1.00 0.00 N ATOM 931 CA PHE A 506 -7.380 1.314 3.214 1.00 0.00 C ATOM 932 C PHE A 506 -6.149 2.151 3.551 1.00 0.00 C ATOM 933 O PHE A 506 -6.264 3.296 3.985 1.00 0.00 O ATOM 934 CB PHE A 506 -8.125 1.935 2.031 1.00 0.00 C ATOM 935 CG PHE A 506 -8.231 3.431 2.108 1.00 0.00 C ATOM 936 CD1 PHE A 506 -8.603 4.053 3.289 1.00 0.00 C ATOM 937 CD2 PHE A 506 -7.958 4.216 0.999 1.00 0.00 C ATOM 938 CE1 PHE A 506 -8.700 5.430 3.363 1.00 0.00 C ATOM 939 CE2 PHE A 506 -8.054 5.593 1.067 1.00 0.00 C ATOM 940 CZ PHE A 506 -8.426 6.201 2.250 1.00 0.00 C ATOM 0 H PHE A 506 -8.123 1.922 5.079 1.00 0.00 H new ATOM 0 HA PHE A 506 -7.052 0.311 2.942 1.00 0.00 H new ATOM 0 HB2 PHE A 506 -7.615 1.662 1.107 1.00 0.00 H new ATOM 0 HB3 PHE A 506 -9.127 1.510 1.980 1.00 0.00 H new ATOM 0 HD1 PHE A 506 -8.820 3.455 4.162 1.00 0.00 H new ATOM 0 HD2 PHE A 506 -7.667 3.746 0.071 1.00 0.00 H new ATOM 0 HE1 PHE A 506 -8.990 5.902 4.290 1.00 0.00 H new ATOM 0 HE2 PHE A 506 -7.838 6.193 0.196 1.00 0.00 H new ATOM 0 HZ PHE A 506 -8.503 7.277 2.305 1.00 0.00 H new ATOM 950 N GLY A 507 -4.971 1.569 3.347 1.00 0.00 N ATOM 951 CA GLY A 507 -3.736 2.274 3.634 1.00 0.00 C ATOM 952 C GLY A 507 -2.686 2.064 2.562 1.00 0.00 C ATOM 953 O GLY A 507 -2.647 1.016 1.917 1.00 0.00 O ATOM 0 H GLY A 507 -4.850 0.622 2.988 1.00 0.00 H new ATOM 0 HA2 GLY A 507 -3.944 3.340 3.731 1.00 0.00 H new ATOM 0 HA3 GLY A 507 -3.344 1.937 4.594 1.00 0.00 H new ATOM 957 N PHE A 508 -1.831 3.063 2.368 1.00 0.00 N ATOM 958 CA PHE A 508 -0.777 2.984 1.364 1.00 0.00 C ATOM 959 C PHE A 508 0.583 2.760 2.020 1.00 0.00 C ATOM 960 O PHE A 508 0.940 3.439 2.982 1.00 0.00 O ATOM 961 CB PHE A 508 -0.746 4.263 0.525 1.00 0.00 C ATOM 962 CG PHE A 508 -1.890 4.374 -0.441 1.00 0.00 C ATOM 963 CD1 PHE A 508 -1.979 3.523 -1.531 1.00 0.00 C ATOM 964 CD2 PHE A 508 -2.877 5.329 -0.260 1.00 0.00 C ATOM 965 CE1 PHE A 508 -3.031 3.622 -2.422 1.00 0.00 C ATOM 966 CE2 PHE A 508 -3.932 5.433 -1.147 1.00 0.00 C ATOM 967 CZ PHE A 508 -4.008 4.579 -2.230 1.00 0.00 C ATOM 0 H PHE A 508 -1.848 3.937 2.893 1.00 0.00 H new ATOM 0 HA PHE A 508 -0.992 2.136 0.714 1.00 0.00 H new ATOM 0 HB2 PHE A 508 -0.759 5.125 1.191 1.00 0.00 H new ATOM 0 HB3 PHE A 508 0.192 4.302 -0.029 1.00 0.00 H new ATOM 0 HD1 PHE A 508 -1.217 2.773 -1.686 1.00 0.00 H new ATOM 0 HD2 PHE A 508 -2.822 6.000 0.584 1.00 0.00 H new ATOM 0 HE1 PHE A 508 -3.089 2.952 -3.267 1.00 0.00 H new ATOM 0 HE2 PHE A 508 -4.696 6.181 -0.993 1.00 0.00 H new ATOM 0 HZ PHE A 508 -4.830 4.660 -2.926 1.00 0.00 H new ATOM 977 N VAL A 509 1.336 1.800 1.492 1.00 0.00 N ATOM 978 CA VAL A 509 2.656 1.485 2.024 1.00 0.00 C ATOM 979 C VAL A 509 3.711 1.501 0.923 1.00 0.00 C ATOM 980 O VAL A 509 3.703 0.653 0.030 1.00 0.00 O ATOM 981 CB VAL A 509 2.670 0.108 2.714 1.00 0.00 C ATOM 982 CG1 VAL A 509 4.038 -0.177 3.313 1.00 0.00 C ATOM 983 CG2 VAL A 509 1.586 0.035 3.779 1.00 0.00 C ATOM 0 H VAL A 509 1.054 1.227 0.696 1.00 0.00 H new ATOM 0 HA VAL A 509 2.892 2.254 2.760 1.00 0.00 H new ATOM 0 HB VAL A 509 2.463 -0.656 1.965 1.00 0.00 H new ATOM 0 HG11 VAL A 509 4.027 -1.154 3.796 1.00 0.00 H new ATOM 0 HG12 VAL A 509 4.789 -0.171 2.523 1.00 0.00 H new ATOM 0 HG13 VAL A 509 4.279 0.589 4.050 1.00 0.00 H new ATOM 0 HG21 VAL A 509 1.610 -0.945 4.256 1.00 0.00 H new ATOM 0 HG22 VAL A 509 1.759 0.808 4.528 1.00 0.00 H new ATOM 0 HG23 VAL A 509 0.611 0.189 3.317 1.00 0.00 H new ATOM 993 N ASP A 510 4.617 2.469 0.994 1.00 0.00 N ATOM 994 CA ASP A 510 5.681 2.594 0.004 1.00 0.00 C ATOM 995 C ASP A 510 6.962 1.927 0.494 1.00 0.00 C ATOM 996 O ASP A 510 7.295 1.995 1.678 1.00 0.00 O ATOM 997 CB ASP A 510 5.945 4.068 -0.308 1.00 0.00 C ATOM 998 CG ASP A 510 6.887 4.252 -1.482 1.00 0.00 C ATOM 999 OD1 ASP A 510 7.347 3.233 -2.039 1.00 0.00 O ATOM 1000 OD2 ASP A 510 7.164 5.414 -1.844 1.00 0.00 O ATOM 0 H ASP A 510 4.637 3.179 1.726 1.00 0.00 H new ATOM 0 HA ASP A 510 5.357 2.090 -0.907 1.00 0.00 H new ATOM 0 HB2 ASP A 510 4.999 4.566 -0.523 1.00 0.00 H new ATOM 0 HB3 ASP A 510 6.367 4.553 0.572 1.00 0.00 H new ATOM 1005 N PHE A 511 7.675 1.282 -0.422 1.00 0.00 N ATOM 1006 CA PHE A 511 8.919 0.601 -0.083 1.00 0.00 C ATOM 1007 C PHE A 511 10.116 1.307 -0.713 1.00 0.00 C ATOM 1008 O PHE A 511 9.993 1.946 -1.758 1.00 0.00 O ATOM 1009 CB PHE A 511 8.870 -0.857 -0.547 1.00 0.00 C ATOM 1010 CG PHE A 511 8.307 -1.795 0.482 1.00 0.00 C ATOM 1011 CD1 PHE A 511 6.938 -1.967 0.607 1.00 0.00 C ATOM 1012 CD2 PHE A 511 9.147 -2.505 1.325 1.00 0.00 C ATOM 1013 CE1 PHE A 511 6.417 -2.829 1.554 1.00 0.00 C ATOM 1014 CE2 PHE A 511 8.632 -3.369 2.273 1.00 0.00 C ATOM 1015 CZ PHE A 511 7.265 -3.532 2.387 1.00 0.00 C ATOM 0 H PHE A 511 7.413 1.216 -1.406 1.00 0.00 H new ATOM 0 HA PHE A 511 9.034 0.627 1.001 1.00 0.00 H new ATOM 0 HB2 PHE A 511 8.268 -0.921 -1.454 1.00 0.00 H new ATOM 0 HB3 PHE A 511 9.877 -1.180 -0.809 1.00 0.00 H new ATOM 0 HD1 PHE A 511 6.270 -1.421 -0.043 1.00 0.00 H new ATOM 0 HD2 PHE A 511 10.217 -2.382 1.240 1.00 0.00 H new ATOM 0 HE1 PHE A 511 5.348 -2.953 1.642 1.00 0.00 H new ATOM 0 HE2 PHE A 511 9.298 -3.916 2.924 1.00 0.00 H new ATOM 0 HZ PHE A 511 6.860 -4.208 3.126 1.00 0.00 H new ATOM 1025 N ILE A 512 11.272 1.186 -0.069 1.00 0.00 N ATOM 1026 CA ILE A 512 12.491 1.812 -0.567 1.00 0.00 C ATOM 1027 C ILE A 512 12.873 1.260 -1.936 1.00 0.00 C ATOM 1028 O ILE A 512 13.328 1.998 -2.811 1.00 0.00 O ATOM 1029 CB ILE A 512 13.668 1.603 0.405 1.00 0.00 C ATOM 1030 CG1 ILE A 512 13.284 2.065 1.812 1.00 0.00 C ATOM 1031 CG2 ILE A 512 14.899 2.350 -0.086 1.00 0.00 C ATOM 1032 CD1 ILE A 512 12.850 3.513 1.876 1.00 0.00 C ATOM 0 H ILE A 512 11.390 0.661 0.798 1.00 0.00 H new ATOM 0 HA ILE A 512 12.286 2.879 -0.653 1.00 0.00 H new ATOM 0 HB ILE A 512 13.904 0.539 0.444 1.00 0.00 H new ATOM 0 HG12 ILE A 512 12.476 1.435 2.184 1.00 0.00 H new ATOM 0 HG13 ILE A 512 14.134 1.919 2.478 1.00 0.00 H new ATOM 0 HG21 ILE A 512 15.722 2.193 0.611 1.00 0.00 H new ATOM 0 HG22 ILE A 512 15.181 1.978 -1.071 1.00 0.00 H new ATOM 0 HG23 ILE A 512 14.677 3.415 -0.150 1.00 0.00 H new ATOM 0 HD11 ILE A 512 12.593 3.771 2.903 1.00 0.00 H new ATOM 0 HD12 ILE A 512 13.664 4.152 1.534 1.00 0.00 H new ATOM 0 HD13 ILE A 512 11.980 3.661 1.236 1.00 0.00 H new ATOM 1044 N THR A 513 12.684 -0.043 -2.117 1.00 0.00 N ATOM 1045 CA THR A 513 13.008 -0.695 -3.380 1.00 0.00 C ATOM 1046 C THR A 513 11.826 -1.504 -3.900 1.00 0.00 C ATOM 1047 O THR A 513 11.153 -2.200 -3.138 1.00 0.00 O ATOM 1048 CB THR A 513 14.228 -1.623 -3.236 1.00 0.00 C ATOM 1049 OG1 THR A 513 13.994 -2.583 -2.199 1.00 0.00 O ATOM 1050 CG2 THR A 513 15.483 -0.823 -2.920 1.00 0.00 C ATOM 0 H THR A 513 12.308 -0.668 -1.404 1.00 0.00 H new ATOM 0 HA THR A 513 13.245 0.095 -4.092 1.00 0.00 H new ATOM 0 HB THR A 513 14.376 -2.141 -4.183 1.00 0.00 H new ATOM 0 HG1 THR A 513 14.183 -3.483 -2.538 1.00 0.00 H new ATOM 0 HG21 THR A 513 16.331 -1.500 -2.823 1.00 0.00 H new ATOM 0 HG22 THR A 513 15.675 -0.114 -3.725 1.00 0.00 H new ATOM 0 HG23 THR A 513 15.343 -0.281 -1.985 1.00 0.00 H new ATOM 1058 N LYS A 514 11.577 -1.410 -5.201 1.00 0.00 N ATOM 1059 CA LYS A 514 10.477 -2.136 -5.825 1.00 0.00 C ATOM 1060 C LYS A 514 10.439 -3.584 -5.347 1.00 0.00 C ATOM 1061 O LYS A 514 9.372 -4.122 -5.055 1.00 0.00 O ATOM 1062 CB LYS A 514 10.610 -2.095 -7.349 1.00 0.00 C ATOM 1063 CG LYS A 514 10.339 -0.725 -7.946 1.00 0.00 C ATOM 1064 CD LYS A 514 11.118 -0.514 -9.234 1.00 0.00 C ATOM 1065 CE LYS A 514 10.462 -1.228 -10.405 1.00 0.00 C ATOM 1066 NZ LYS A 514 11.025 -0.785 -11.711 1.00 0.00 N ATOM 0 H LYS A 514 12.123 -0.837 -5.845 1.00 0.00 H new ATOM 0 HA LYS A 514 9.545 -1.651 -5.534 1.00 0.00 H new ATOM 0 HB2 LYS A 514 11.616 -2.410 -7.626 1.00 0.00 H new ATOM 0 HB3 LYS A 514 9.918 -2.816 -7.785 1.00 0.00 H new ATOM 0 HG2 LYS A 514 9.272 -0.617 -8.143 1.00 0.00 H new ATOM 0 HG3 LYS A 514 10.609 0.047 -7.225 1.00 0.00 H new ATOM 0 HD2 LYS A 514 11.186 0.552 -9.449 1.00 0.00 H new ATOM 0 HD3 LYS A 514 12.137 -0.880 -9.108 1.00 0.00 H new ATOM 0 HE2 LYS A 514 10.599 -2.304 -10.297 1.00 0.00 H new ATOM 0 HE3 LYS A 514 9.388 -1.040 -10.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 514 10.552 -1.295 -12.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 514 10.872 0.237 -11.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 514 12.045 -0.988 -11.736 1.00 0.00 H new ATOM 1080 N GLN A 515 11.610 -4.207 -5.268 1.00 0.00 N ATOM 1081 CA GLN A 515 11.710 -5.592 -4.824 1.00 0.00 C ATOM 1082 C GLN A 515 11.016 -5.784 -3.479 1.00 0.00 C ATOM 1083 O GLN A 515 10.016 -6.496 -3.382 1.00 0.00 O ATOM 1084 CB GLN A 515 13.177 -6.012 -4.718 1.00 0.00 C ATOM 1085 CG GLN A 515 13.930 -5.930 -6.036 1.00 0.00 C ATOM 1086 CD GLN A 515 13.676 -7.129 -6.928 1.00 0.00 C ATOM 1087 OE1 GLN A 515 13.204 -6.988 -8.057 1.00 0.00 O ATOM 1088 NE2 GLN A 515 13.987 -8.318 -6.426 1.00 0.00 N ATOM 0 H GLN A 515 12.503 -3.775 -5.506 1.00 0.00 H new ATOM 0 HA GLN A 515 11.212 -6.220 -5.563 1.00 0.00 H new ATOM 0 HB2 GLN A 515 13.676 -5.379 -3.984 1.00 0.00 H new ATOM 0 HB3 GLN A 515 13.227 -7.034 -4.343 1.00 0.00 H new ATOM 0 HG2 GLN A 515 13.636 -5.022 -6.562 1.00 0.00 H new ATOM 0 HG3 GLN A 515 14.998 -5.851 -5.835 1.00 0.00 H new ATOM 0 HE21 GLN A 515 14.376 -8.389 -5.486 1.00 0.00 H new ATOM 0 HE22 GLN A 515 13.837 -9.161 -6.981 1.00 0.00 H new ATOM 1097 N ASP A 516 11.552 -5.144 -2.446 1.00 0.00 N ATOM 1098 CA ASP A 516 10.983 -5.244 -1.107 1.00 0.00 C ATOM 1099 C ASP A 516 9.459 -5.188 -1.158 1.00 0.00 C ATOM 1100 O ASP A 516 8.777 -5.966 -0.492 1.00 0.00 O ATOM 1101 CB ASP A 516 11.518 -4.120 -0.217 1.00 0.00 C ATOM 1102 CG ASP A 516 13.020 -4.198 -0.027 1.00 0.00 C ATOM 1103 OD1 ASP A 516 13.689 -4.852 -0.853 1.00 0.00 O ATOM 1104 OD2 ASP A 516 13.526 -3.605 0.950 1.00 0.00 O ATOM 0 H ASP A 516 12.379 -4.551 -2.510 1.00 0.00 H new ATOM 0 HA ASP A 516 11.279 -6.204 -0.684 1.00 0.00 H new ATOM 0 HB2 ASP A 516 11.260 -3.157 -0.658 1.00 0.00 H new ATOM 0 HB3 ASP A 516 11.029 -4.167 0.756 1.00 0.00 H new ATOM 1109 N ALA A 517 8.933 -4.261 -1.951 1.00 0.00 N ATOM 1110 CA ALA A 517 7.490 -4.104 -2.090 1.00 0.00 C ATOM 1111 C ALA A 517 6.864 -5.334 -2.738 1.00 0.00 C ATOM 1112 O ALA A 517 5.759 -5.743 -2.379 1.00 0.00 O ATOM 1113 CB ALA A 517 7.171 -2.858 -2.901 1.00 0.00 C ATOM 0 H ALA A 517 9.484 -3.607 -2.507 1.00 0.00 H new ATOM 0 HA ALA A 517 7.063 -3.994 -1.093 1.00 0.00 H new ATOM 0 HB1 ALA A 517 6.090 -2.753 -2.997 1.00 0.00 H new ATOM 0 HB2 ALA A 517 7.577 -1.981 -2.396 1.00 0.00 H new ATOM 0 HB3 ALA A 517 7.616 -2.945 -3.892 1.00 0.00 H new ATOM 1119 N LYS A 518 7.575 -5.921 -3.694 1.00 0.00 N ATOM 1120 CA LYS A 518 7.090 -7.105 -4.392 1.00 0.00 C ATOM 1121 C LYS A 518 7.085 -8.318 -3.467 1.00 0.00 C ATOM 1122 O LYS A 518 6.035 -8.904 -3.200 1.00 0.00 O ATOM 1123 CB LYS A 518 7.958 -7.390 -5.620 1.00 0.00 C ATOM 1124 CG LYS A 518 7.620 -6.522 -6.819 1.00 0.00 C ATOM 1125 CD LYS A 518 8.034 -7.185 -8.122 1.00 0.00 C ATOM 1126 CE LYS A 518 7.310 -6.576 -9.313 1.00 0.00 C ATOM 1127 NZ LYS A 518 5.884 -7.004 -9.372 1.00 0.00 N ATOM 0 H LYS A 518 8.491 -5.595 -4.004 1.00 0.00 H new ATOM 0 HA LYS A 518 6.067 -6.912 -4.715 1.00 0.00 H new ATOM 0 HB2 LYS A 518 9.005 -7.240 -5.357 1.00 0.00 H new ATOM 0 HB3 LYS A 518 7.846 -8.438 -5.898 1.00 0.00 H new ATOM 0 HG2 LYS A 518 6.548 -6.324 -6.835 1.00 0.00 H new ATOM 0 HG3 LYS A 518 8.121 -5.559 -6.725 1.00 0.00 H new ATOM 0 HD2 LYS A 518 9.111 -7.082 -8.258 1.00 0.00 H new ATOM 0 HD3 LYS A 518 7.820 -8.253 -8.072 1.00 0.00 H new ATOM 0 HE2 LYS A 518 7.361 -5.489 -9.252 1.00 0.00 H new ATOM 0 HE3 LYS A 518 7.815 -6.868 -10.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 518 5.480 -6.740 -10.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 518 5.826 -8.035 -9.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 518 5.349 -6.535 -8.613 1.00 0.00 H new ATOM 1141 N LYS A 519 8.264 -8.690 -2.980 1.00 0.00 N ATOM 1142 CA LYS A 519 8.395 -9.831 -2.082 1.00 0.00 C ATOM 1143 C LYS A 519 7.390 -9.742 -0.938 1.00 0.00 C ATOM 1144 O LYS A 519 6.814 -10.749 -0.526 1.00 0.00 O ATOM 1145 CB LYS A 519 9.817 -9.904 -1.522 1.00 0.00 C ATOM 1146 CG LYS A 519 10.180 -8.729 -0.629 1.00 0.00 C ATOM 1147 CD LYS A 519 11.545 -8.917 0.012 1.00 0.00 C ATOM 1148 CE LYS A 519 11.456 -9.760 1.275 1.00 0.00 C ATOM 1149 NZ LYS A 519 12.711 -10.522 1.522 1.00 0.00 N ATOM 0 H LYS A 519 9.143 -8.218 -3.192 1.00 0.00 H new ATOM 0 HA LYS A 519 8.189 -10.736 -2.653 1.00 0.00 H new ATOM 0 HB2 LYS A 519 9.928 -10.828 -0.955 1.00 0.00 H new ATOM 0 HB3 LYS A 519 10.523 -9.951 -2.351 1.00 0.00 H new ATOM 0 HG2 LYS A 519 10.176 -7.810 -1.215 1.00 0.00 H new ATOM 0 HG3 LYS A 519 9.425 -8.615 0.148 1.00 0.00 H new ATOM 0 HD2 LYS A 519 12.219 -9.395 -0.699 1.00 0.00 H new ATOM 0 HD3 LYS A 519 11.973 -7.944 0.252 1.00 0.00 H new ATOM 0 HE2 LYS A 519 11.249 -9.115 2.129 1.00 0.00 H new ATOM 0 HE3 LYS A 519 10.620 -10.454 1.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 519 12.611 -11.084 2.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 519 12.896 -11.157 0.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 519 13.505 -9.859 1.628 1.00 0.00 H new ATOM 1163 N ALA A 520 7.185 -8.532 -0.430 1.00 0.00 N ATOM 1164 CA ALA A 520 6.247 -8.312 0.664 1.00 0.00 C ATOM 1165 C ALA A 520 4.807 -8.500 0.199 1.00 0.00 C ATOM 1166 O ALA A 520 4.073 -9.328 0.738 1.00 0.00 O ATOM 1167 CB ALA A 520 6.437 -6.921 1.251 1.00 0.00 C ATOM 0 H ALA A 520 7.656 -7.689 -0.758 1.00 0.00 H new ATOM 0 HA ALA A 520 6.451 -9.052 1.438 1.00 0.00 H new ATOM 0 HB1 ALA A 520 5.730 -6.771 2.067 1.00 0.00 H new ATOM 0 HB2 ALA A 520 7.454 -6.822 1.630 1.00 0.00 H new ATOM 0 HB3 ALA A 520 6.263 -6.173 0.478 1.00 0.00 H new ATOM 1173 N PHE A 521 4.409 -7.725 -0.804 1.00 0.00 N ATOM 1174 CA PHE A 521 3.055 -7.805 -1.341 1.00 0.00 C ATOM 1175 C PHE A 521 2.567 -9.250 -1.372 1.00 0.00 C ATOM 1176 O PHE A 521 1.498 -9.566 -0.852 1.00 0.00 O ATOM 1177 CB PHE A 521 3.006 -7.207 -2.749 1.00 0.00 C ATOM 1178 CG PHE A 521 1.639 -7.247 -3.369 1.00 0.00 C ATOM 1179 CD1 PHE A 521 1.090 -8.446 -3.795 1.00 0.00 C ATOM 1180 CD2 PHE A 521 0.901 -6.084 -3.527 1.00 0.00 C ATOM 1181 CE1 PHE A 521 -0.167 -8.485 -4.367 1.00 0.00 C ATOM 1182 CE2 PHE A 521 -0.357 -6.117 -4.098 1.00 0.00 C ATOM 1183 CZ PHE A 521 -0.892 -7.319 -4.517 1.00 0.00 C ATOM 0 H PHE A 521 5.004 -7.034 -1.262 1.00 0.00 H new ATOM 0 HA PHE A 521 2.397 -7.232 -0.688 1.00 0.00 H new ATOM 0 HB2 PHE A 521 3.348 -6.173 -2.708 1.00 0.00 H new ATOM 0 HB3 PHE A 521 3.703 -7.748 -3.389 1.00 0.00 H new ATOM 0 HD1 PHE A 521 1.652 -9.361 -3.678 1.00 0.00 H new ATOM 0 HD2 PHE A 521 1.314 -5.141 -3.200 1.00 0.00 H new ATOM 0 HE1 PHE A 521 -0.582 -9.426 -4.696 1.00 0.00 H new ATOM 0 HE2 PHE A 521 -0.921 -5.204 -4.216 1.00 0.00 H new ATOM 0 HZ PHE A 521 -1.876 -7.347 -4.961 1.00 0.00 H new ATOM 1193 N ASN A 522 3.359 -10.123 -1.987 1.00 0.00 N ATOM 1194 CA ASN A 522 3.008 -11.535 -2.088 1.00 0.00 C ATOM 1195 C ASN A 522 2.998 -12.192 -0.711 1.00 0.00 C ATOM 1196 O ASN A 522 2.068 -12.921 -0.366 1.00 0.00 O ATOM 1197 CB ASN A 522 3.992 -12.262 -3.006 1.00 0.00 C ATOM 1198 CG ASN A 522 5.213 -12.767 -2.262 1.00 0.00 C ATOM 1199 OD1 ASN A 522 6.298 -12.196 -2.368 1.00 0.00 O ATOM 1200 ND2 ASN A 522 5.040 -13.843 -1.503 1.00 0.00 N ATOM 0 H ASN A 522 4.248 -9.877 -2.423 1.00 0.00 H new ATOM 0 HA ASN A 522 2.006 -11.606 -2.512 1.00 0.00 H new ATOM 0 HB2 ASN A 522 3.487 -13.102 -3.482 1.00 0.00 H new ATOM 0 HB3 ASN A 522 4.308 -11.588 -3.802 1.00 0.00 H new ATOM 0 HD21 ASN A 522 5.825 -14.228 -0.978 1.00 0.00 H new ATOM 0 HD22 ASN A 522 4.122 -14.284 -1.445 1.00 0.00 H new ATOM 1207 N ALA A 523 4.040 -11.929 0.071 1.00 0.00 N ATOM 1208 CA ALA A 523 4.151 -12.493 1.411 1.00 0.00 C ATOM 1209 C ALA A 523 2.869 -12.272 2.207 1.00 0.00 C ATOM 1210 O ALA A 523 2.307 -13.211 2.772 1.00 0.00 O ATOM 1211 CB ALA A 523 5.340 -11.887 2.142 1.00 0.00 C ATOM 0 H ALA A 523 4.819 -11.329 -0.200 1.00 0.00 H new ATOM 0 HA ALA A 523 4.307 -13.567 1.315 1.00 0.00 H new ATOM 0 HB1 ALA A 523 5.411 -12.317 3.141 1.00 0.00 H new ATOM 0 HB2 ALA A 523 6.255 -12.101 1.589 1.00 0.00 H new ATOM 0 HB3 ALA A 523 5.208 -10.808 2.220 1.00 0.00 H new ATOM 1217 N LEU A 524 2.412 -11.025 2.250 1.00 0.00 N ATOM 1218 CA LEU A 524 1.196 -10.680 2.978 1.00 0.00 C ATOM 1219 C LEU A 524 -0.044 -11.101 2.197 1.00 0.00 C ATOM 1220 O LEU A 524 -0.892 -11.835 2.707 1.00 0.00 O ATOM 1221 CB LEU A 524 1.153 -9.176 3.254 1.00 0.00 C ATOM 1222 CG LEU A 524 2.003 -8.685 4.426 1.00 0.00 C ATOM 1223 CD1 LEU A 524 3.471 -8.621 4.032 1.00 0.00 C ATOM 1224 CD2 LEU A 524 1.518 -7.324 4.903 1.00 0.00 C ATOM 0 H LEU A 524 2.865 -10.236 1.789 1.00 0.00 H new ATOM 0 HA LEU A 524 1.205 -11.217 3.926 1.00 0.00 H new ATOM 0 HB2 LEU A 524 1.474 -8.652 2.354 1.00 0.00 H new ATOM 0 HB3 LEU A 524 0.117 -8.890 3.437 1.00 0.00 H new ATOM 0 HG LEU A 524 1.899 -9.394 5.247 1.00 0.00 H new ATOM 0 HD11 LEU A 524 4.060 -8.269 4.879 1.00 0.00 H new ATOM 0 HD12 LEU A 524 3.813 -9.614 3.739 1.00 0.00 H new ATOM 0 HD13 LEU A 524 3.593 -7.934 3.195 1.00 0.00 H new ATOM 0 HD21 LEU A 524 2.134 -6.990 5.738 1.00 0.00 H new ATOM 0 HD22 LEU A 524 1.592 -6.605 4.087 1.00 0.00 H new ATOM 0 HD23 LEU A 524 0.480 -7.401 5.227 1.00 0.00 H new ATOM 1236 N CYS A 525 -0.143 -10.634 0.957 1.00 0.00 N ATOM 1237 CA CYS A 525 -1.280 -10.963 0.105 1.00 0.00 C ATOM 1238 C CYS A 525 -1.679 -12.425 0.271 1.00 0.00 C ATOM 1239 O CYS A 525 -2.856 -12.742 0.450 1.00 0.00 O ATOM 1240 CB CYS A 525 -0.945 -10.677 -1.360 1.00 0.00 C ATOM 1241 SG CYS A 525 -2.218 -11.212 -2.527 1.00 0.00 S ATOM 0 H CYS A 525 0.550 -10.027 0.520 1.00 0.00 H new ATOM 0 HA CYS A 525 -2.121 -10.339 0.407 1.00 0.00 H new ATOM 0 HB2 CYS A 525 -0.783 -9.606 -1.482 1.00 0.00 H new ATOM 0 HB3 CYS A 525 -0.007 -11.172 -1.610 1.00 0.00 H new ATOM 0 HG CYS A 525 -1.844 -10.925 -3.739 1.00 0.00 H new ATOM 1247 N HIS A 526 -0.692 -13.314 0.209 1.00 0.00 N ATOM 1248 CA HIS A 526 -0.941 -14.744 0.352 1.00 0.00 C ATOM 1249 C HIS A 526 -2.013 -15.006 1.406 1.00 0.00 C ATOM 1250 O HIS A 526 -3.037 -15.626 1.123 1.00 0.00 O ATOM 1251 CB HIS A 526 0.350 -15.472 0.728 1.00 0.00 C ATOM 1252 CG HIS A 526 0.200 -16.961 0.791 1.00 0.00 C ATOM 1253 ND1 HIS A 526 -0.338 -17.708 -0.236 1.00 0.00 N ATOM 1254 CD2 HIS A 526 0.525 -17.843 1.766 1.00 0.00 C ATOM 1255 CE1 HIS A 526 -0.340 -18.984 0.105 1.00 0.00 C ATOM 1256 NE2 HIS A 526 0.179 -19.093 1.315 1.00 0.00 N ATOM 0 H HIS A 526 0.287 -13.069 0.061 1.00 0.00 H new ATOM 0 HA HIS A 526 -1.298 -15.124 -0.605 1.00 0.00 H new ATOM 0 HB2 HIS A 526 1.123 -15.223 0.001 1.00 0.00 H new ATOM 0 HB3 HIS A 526 0.694 -15.108 1.696 1.00 0.00 H new ATOM 0 HD2 HIS A 526 0.973 -17.607 2.720 1.00 0.00 H new ATOM 0 HE1 HIS A 526 -0.704 -19.800 -0.502 1.00 0.00 H new ATOM 0 HE2 HIS A 526 0.303 -19.964 1.831 1.00 0.00 H new ATOM 1264 N SER A 527 -1.768 -14.530 2.623 1.00 0.00 N ATOM 1265 CA SER A 527 -2.710 -14.718 3.721 1.00 0.00 C ATOM 1266 C SER A 527 -2.263 -13.944 4.958 1.00 0.00 C ATOM 1267 O SER A 527 -1.317 -14.335 5.642 1.00 0.00 O ATOM 1268 CB SER A 527 -2.846 -16.204 4.056 1.00 0.00 C ATOM 1269 OG SER A 527 -1.595 -16.760 4.424 1.00 0.00 O ATOM 0 H SER A 527 -0.926 -14.012 2.874 1.00 0.00 H new ATOM 0 HA SER A 527 -3.680 -14.335 3.405 1.00 0.00 H new ATOM 0 HB2 SER A 527 -3.559 -16.333 4.871 1.00 0.00 H new ATOM 0 HB3 SER A 527 -3.246 -16.739 3.195 1.00 0.00 H new ATOM 0 HG SER A 527 -1.086 -16.104 4.945 1.00 0.00 H new ATOM 1275 N THR A 528 -2.952 -12.842 5.240 1.00 0.00 N ATOM 1276 CA THR A 528 -2.627 -12.012 6.393 1.00 0.00 C ATOM 1277 C THR A 528 -3.824 -11.876 7.327 1.00 0.00 C ATOM 1278 O THR A 528 -4.893 -11.420 6.920 1.00 0.00 O ATOM 1279 CB THR A 528 -2.165 -10.607 5.961 1.00 0.00 C ATOM 1280 OG1 THR A 528 -1.103 -10.713 5.007 1.00 0.00 O ATOM 1281 CG2 THR A 528 -1.697 -9.799 7.162 1.00 0.00 C ATOM 0 H THR A 528 -3.738 -12.504 4.685 1.00 0.00 H new ATOM 0 HA THR A 528 -1.812 -12.508 6.921 1.00 0.00 H new ATOM 0 HB THR A 528 -3.012 -10.093 5.505 1.00 0.00 H new ATOM 0 HG1 THR A 528 -1.423 -11.190 4.213 1.00 0.00 H new ATOM 0 HG21 THR A 528 -1.376 -8.811 6.833 1.00 0.00 H new ATOM 0 HG22 THR A 528 -2.517 -9.696 7.873 1.00 0.00 H new ATOM 0 HG23 THR A 528 -0.863 -10.311 7.642 1.00 0.00 H new ATOM 1289 N HIS A 529 -3.638 -12.274 8.581 1.00 0.00 N ATOM 1290 CA HIS A 529 -4.703 -12.195 9.574 1.00 0.00 C ATOM 1291 C HIS A 529 -4.388 -11.137 10.627 1.00 0.00 C ATOM 1292 O HIS A 529 -3.386 -11.232 11.337 1.00 0.00 O ATOM 1293 CB HIS A 529 -4.906 -13.554 10.246 1.00 0.00 C ATOM 1294 CG HIS A 529 -5.524 -14.580 9.346 1.00 0.00 C ATOM 1295 ND1 HIS A 529 -5.236 -14.673 8.001 1.00 0.00 N ATOM 1296 CD2 HIS A 529 -6.417 -15.563 9.607 1.00 0.00 C ATOM 1297 CE1 HIS A 529 -5.928 -15.667 7.472 1.00 0.00 C ATOM 1298 NE2 HIS A 529 -6.652 -16.223 8.426 1.00 0.00 N ATOM 0 H HIS A 529 -2.760 -12.654 8.934 1.00 0.00 H new ATOM 0 HA HIS A 529 -5.622 -11.910 9.061 1.00 0.00 H new ATOM 0 HB2 HIS A 529 -3.943 -13.924 10.598 1.00 0.00 H new ATOM 0 HB3 HIS A 529 -5.538 -13.425 11.125 1.00 0.00 H new ATOM 0 HD2 HIS A 529 -6.862 -15.787 10.565 1.00 0.00 H new ATOM 0 HE1 HIS A 529 -5.905 -15.972 6.436 1.00 0.00 H new ATOM 0 HE2 HIS A 529 -7.284 -17.015 8.305 1.00 0.00 H new ATOM 1306 N LEU A 530 -5.248 -10.129 10.722 1.00 0.00 N ATOM 1307 CA LEU A 530 -5.060 -9.051 11.687 1.00 0.00 C ATOM 1308 C LEU A 530 -6.335 -8.812 12.490 1.00 0.00 C ATOM 1309 O LEU A 530 -7.356 -8.393 11.943 1.00 0.00 O ATOM 1310 CB LEU A 530 -4.645 -7.765 10.971 1.00 0.00 C ATOM 1311 CG LEU A 530 -3.965 -6.704 11.838 1.00 0.00 C ATOM 1312 CD1 LEU A 530 -2.619 -7.206 12.338 1.00 0.00 C ATOM 1313 CD2 LEU A 530 -3.797 -5.407 11.059 1.00 0.00 C ATOM 0 H LEU A 530 -6.082 -10.035 10.143 1.00 0.00 H new ATOM 0 HA LEU A 530 -4.269 -9.346 12.376 1.00 0.00 H new ATOM 0 HB2 LEU A 530 -3.970 -8.028 10.157 1.00 0.00 H new ATOM 0 HB3 LEU A 530 -5.532 -7.322 10.519 1.00 0.00 H new ATOM 0 HG LEU A 530 -4.600 -6.506 12.702 1.00 0.00 H new ATOM 0 HD11 LEU A 530 -2.150 -6.438 12.953 1.00 0.00 H new ATOM 0 HD12 LEU A 530 -2.765 -8.108 12.932 1.00 0.00 H new ATOM 0 HD13 LEU A 530 -1.976 -7.432 11.487 1.00 0.00 H new ATOM 0 HD21 LEU A 530 -3.312 -4.663 11.691 1.00 0.00 H new ATOM 0 HD22 LEU A 530 -3.184 -5.589 10.177 1.00 0.00 H new ATOM 0 HD23 LEU A 530 -4.775 -5.038 10.751 1.00 0.00 H new ATOM 1325 N TYR A 531 -6.268 -9.077 13.790 1.00 0.00 N ATOM 1326 CA TYR A 531 -7.416 -8.890 14.668 1.00 0.00 C ATOM 1327 C TYR A 531 -8.610 -9.708 14.185 1.00 0.00 C ATOM 1328 O TYR A 531 -9.750 -9.247 14.226 1.00 0.00 O ATOM 1329 CB TYR A 531 -7.794 -7.410 14.741 1.00 0.00 C ATOM 1330 CG TYR A 531 -6.697 -6.532 15.300 1.00 0.00 C ATOM 1331 CD1 TYR A 531 -6.364 -6.576 16.648 1.00 0.00 C ATOM 1332 CD2 TYR A 531 -5.994 -5.659 14.479 1.00 0.00 C ATOM 1333 CE1 TYR A 531 -5.363 -5.775 17.163 1.00 0.00 C ATOM 1334 CE2 TYR A 531 -4.990 -4.855 14.985 1.00 0.00 C ATOM 1335 CZ TYR A 531 -4.679 -4.917 16.327 1.00 0.00 C ATOM 1336 OH TYR A 531 -3.680 -4.118 16.836 1.00 0.00 O ATOM 0 H TYR A 531 -5.430 -9.422 14.259 1.00 0.00 H new ATOM 0 HA TYR A 531 -7.139 -9.237 15.664 1.00 0.00 H new ATOM 0 HB2 TYR A 531 -8.054 -7.060 13.742 1.00 0.00 H new ATOM 0 HB3 TYR A 531 -8.685 -7.301 15.359 1.00 0.00 H new ATOM 0 HD1 TYR A 531 -6.897 -7.248 17.305 1.00 0.00 H new ATOM 0 HD2 TYR A 531 -6.236 -5.608 13.428 1.00 0.00 H new ATOM 0 HE1 TYR A 531 -5.118 -5.820 18.214 1.00 0.00 H new ATOM 0 HE2 TYR A 531 -4.452 -4.182 14.333 1.00 0.00 H new ATOM 0 HH TYR A 531 -3.259 -4.567 17.598 1.00 0.00 H new ATOM 1346 N GLY A 532 -8.338 -10.926 13.727 1.00 0.00 N ATOM 1347 CA GLY A 532 -9.399 -11.790 13.243 1.00 0.00 C ATOM 1348 C GLY A 532 -10.022 -11.280 11.958 1.00 0.00 C ATOM 1349 O GLY A 532 -11.228 -11.412 11.750 1.00 0.00 O ATOM 0 H GLY A 532 -7.402 -11.330 13.682 1.00 0.00 H new ATOM 0 HA2 GLY A 532 -9.001 -12.791 13.078 1.00 0.00 H new ATOM 0 HA3 GLY A 532 -10.171 -11.876 14.008 1.00 0.00 H new ATOM 1353 N ARG A 533 -9.198 -10.694 11.095 1.00 0.00 N ATOM 1354 CA ARG A 533 -9.676 -10.159 9.826 1.00 0.00 C ATOM 1355 C ARG A 533 -8.642 -10.371 8.724 1.00 0.00 C ATOM 1356 O ARG A 533 -7.437 -10.333 8.973 1.00 0.00 O ATOM 1357 CB ARG A 533 -9.993 -8.669 9.963 1.00 0.00 C ATOM 1358 CG ARG A 533 -11.114 -8.373 10.947 1.00 0.00 C ATOM 1359 CD ARG A 533 -11.877 -7.116 10.560 1.00 0.00 C ATOM 1360 NE ARG A 533 -12.981 -6.843 11.476 1.00 0.00 N ATOM 1361 CZ ARG A 533 -14.073 -7.595 11.557 1.00 0.00 C ATOM 1362 NH1 ARG A 533 -14.206 -8.661 10.781 1.00 0.00 N ATOM 1363 NH2 ARG A 533 -15.034 -7.281 12.417 1.00 0.00 N ATOM 0 H ARG A 533 -8.197 -10.578 11.252 1.00 0.00 H new ATOM 0 HA ARG A 533 -10.587 -10.693 9.555 1.00 0.00 H new ATOM 0 HB2 ARG A 533 -9.093 -8.142 10.281 1.00 0.00 H new ATOM 0 HB3 ARG A 533 -10.265 -8.273 8.985 1.00 0.00 H new ATOM 0 HG2 ARG A 533 -11.800 -9.219 10.984 1.00 0.00 H new ATOM 0 HG3 ARG A 533 -10.699 -8.255 11.948 1.00 0.00 H new ATOM 0 HD2 ARG A 533 -11.195 -6.266 10.551 1.00 0.00 H new ATOM 0 HD3 ARG A 533 -12.265 -7.224 9.547 1.00 0.00 H new ATOM 0 HE ARG A 533 -12.910 -6.030 12.088 1.00 0.00 H new ATOM 0 HH11 ARG A 533 -13.469 -8.906 10.120 1.00 0.00 H new ATOM 0 HH12 ARG A 533 -15.045 -9.237 10.845 1.00 0.00 H new ATOM 0 HH21 ARG A 533 -14.934 -6.462 13.016 1.00 0.00 H new ATOM 0 HH22 ARG A 533 -15.872 -7.859 12.479 1.00 0.00 H new ATOM 1377 N ARG A 534 -9.122 -10.594 7.504 1.00 0.00 N ATOM 1378 CA ARG A 534 -8.239 -10.813 6.364 1.00 0.00 C ATOM 1379 C ARG A 534 -8.063 -9.529 5.559 1.00 0.00 C ATOM 1380 O ARG A 534 -9.034 -8.958 5.060 1.00 0.00 O ATOM 1381 CB ARG A 534 -8.797 -11.919 5.467 1.00 0.00 C ATOM 1382 CG ARG A 534 -7.850 -12.334 4.352 1.00 0.00 C ATOM 1383 CD ARG A 534 -6.794 -13.308 4.852 1.00 0.00 C ATOM 1384 NE ARG A 534 -7.342 -14.643 5.072 1.00 0.00 N ATOM 1385 CZ ARG A 534 -7.606 -15.500 4.092 1.00 0.00 C ATOM 1386 NH1 ARG A 534 -7.373 -15.163 2.831 1.00 0.00 N ATOM 1387 NH2 ARG A 534 -8.103 -16.698 4.373 1.00 0.00 N ATOM 0 H ARG A 534 -10.117 -10.628 7.280 1.00 0.00 H new ATOM 0 HA ARG A 534 -7.264 -11.119 6.743 1.00 0.00 H new ATOM 0 HB2 ARG A 534 -9.028 -12.791 6.080 1.00 0.00 H new ATOM 0 HB3 ARG A 534 -9.736 -11.581 5.028 1.00 0.00 H new ATOM 0 HG2 ARG A 534 -8.418 -12.795 3.543 1.00 0.00 H new ATOM 0 HG3 ARG A 534 -7.365 -11.450 3.938 1.00 0.00 H new ATOM 0 HD2 ARG A 534 -5.981 -13.365 4.128 1.00 0.00 H new ATOM 0 HD3 ARG A 534 -6.367 -12.934 5.782 1.00 0.00 H new ATOM 0 HE ARG A 534 -7.533 -14.934 6.031 1.00 0.00 H new ATOM 0 HH11 ARG A 534 -6.990 -14.244 2.611 1.00 0.00 H new ATOM 0 HH12 ARG A 534 -7.577 -15.823 2.081 1.00 0.00 H new ATOM 0 HH21 ARG A 534 -8.283 -16.961 5.342 1.00 0.00 H new ATOM 0 HH22 ARG A 534 -8.306 -17.356 3.620 1.00 0.00 H new ATOM 1401 N LEU A 535 -6.819 -9.080 5.435 1.00 0.00 N ATOM 1402 CA LEU A 535 -6.515 -7.863 4.691 1.00 0.00 C ATOM 1403 C LEU A 535 -6.344 -8.163 3.205 1.00 0.00 C ATOM 1404 O LEU A 535 -5.814 -9.208 2.828 1.00 0.00 O ATOM 1405 CB LEU A 535 -5.246 -7.209 5.240 1.00 0.00 C ATOM 1406 CG LEU A 535 -5.265 -6.850 6.726 1.00 0.00 C ATOM 1407 CD1 LEU A 535 -3.896 -6.366 7.176 1.00 0.00 C ATOM 1408 CD2 LEU A 535 -6.325 -5.795 7.006 1.00 0.00 C ATOM 0 H LEU A 535 -6.004 -9.541 5.840 1.00 0.00 H new ATOM 0 HA LEU A 535 -7.352 -7.175 4.811 1.00 0.00 H new ATOM 0 HB2 LEU A 535 -4.408 -7.882 5.060 1.00 0.00 H new ATOM 0 HB3 LEU A 535 -5.054 -6.300 4.670 1.00 0.00 H new ATOM 0 HG LEU A 535 -5.515 -7.746 7.294 1.00 0.00 H new ATOM 0 HD11 LEU A 535 -3.929 -6.115 8.236 1.00 0.00 H new ATOM 0 HD12 LEU A 535 -3.160 -7.153 7.012 1.00 0.00 H new ATOM 0 HD13 LEU A 535 -3.616 -5.482 6.603 1.00 0.00 H new ATOM 0 HD21 LEU A 535 -6.324 -5.552 8.068 1.00 0.00 H new ATOM 0 HD22 LEU A 535 -6.106 -4.897 6.428 1.00 0.00 H new ATOM 0 HD23 LEU A 535 -7.305 -6.179 6.722 1.00 0.00 H new ATOM 1420 N VAL A 536 -6.796 -7.238 2.364 1.00 0.00 N ATOM 1421 CA VAL A 536 -6.691 -7.401 0.919 1.00 0.00 C ATOM 1422 C VAL A 536 -5.479 -6.657 0.369 1.00 0.00 C ATOM 1423 O VAL A 536 -5.296 -5.467 0.630 1.00 0.00 O ATOM 1424 CB VAL A 536 -7.957 -6.895 0.203 1.00 0.00 C ATOM 1425 CG1 VAL A 536 -7.792 -6.990 -1.306 1.00 0.00 C ATOM 1426 CG2 VAL A 536 -9.177 -7.679 0.664 1.00 0.00 C ATOM 0 H VAL A 536 -7.239 -6.368 2.659 1.00 0.00 H new ATOM 0 HA VAL A 536 -6.577 -8.468 0.729 1.00 0.00 H new ATOM 0 HB VAL A 536 -8.106 -5.847 0.462 1.00 0.00 H new ATOM 0 HG11 VAL A 536 -8.697 -6.628 -1.794 1.00 0.00 H new ATOM 0 HG12 VAL A 536 -6.943 -6.382 -1.618 1.00 0.00 H new ATOM 0 HG13 VAL A 536 -7.618 -8.028 -1.588 1.00 0.00 H new ATOM 0 HG21 VAL A 536 -10.063 -7.309 0.149 1.00 0.00 H new ATOM 0 HG22 VAL A 536 -9.038 -8.736 0.435 1.00 0.00 H new ATOM 0 HG23 VAL A 536 -9.304 -7.555 1.739 1.00 0.00 H new ATOM 1436 N LEU A 537 -4.653 -7.365 -0.393 1.00 0.00 N ATOM 1437 CA LEU A 537 -3.457 -6.772 -0.982 1.00 0.00 C ATOM 1438 C LEU A 537 -3.694 -6.404 -2.443 1.00 0.00 C ATOM 1439 O LEU A 537 -3.928 -7.274 -3.281 1.00 0.00 O ATOM 1440 CB LEU A 537 -2.277 -7.740 -0.873 1.00 0.00 C ATOM 1441 CG LEU A 537 -1.438 -7.634 0.401 1.00 0.00 C ATOM 1442 CD1 LEU A 537 -0.455 -6.478 0.298 1.00 0.00 C ATOM 1443 CD2 LEU A 537 -2.335 -7.467 1.619 1.00 0.00 C ATOM 0 H LEU A 537 -4.789 -8.351 -0.618 1.00 0.00 H new ATOM 0 HA LEU A 537 -3.224 -5.861 -0.430 1.00 0.00 H new ATOM 0 HB2 LEU A 537 -2.660 -8.758 -0.949 1.00 0.00 H new ATOM 0 HB3 LEU A 537 -1.622 -7.581 -1.730 1.00 0.00 H new ATOM 0 HG LEU A 537 -0.871 -8.557 0.517 1.00 0.00 H new ATOM 0 HD11 LEU A 537 0.133 -6.418 1.214 1.00 0.00 H new ATOM 0 HD12 LEU A 537 0.210 -6.640 -0.550 1.00 0.00 H new ATOM 0 HD13 LEU A 537 -1.003 -5.546 0.157 1.00 0.00 H new ATOM 0 HD21 LEU A 537 -1.720 -7.393 2.516 1.00 0.00 H new ATOM 0 HD22 LEU A 537 -2.930 -6.560 1.511 1.00 0.00 H new ATOM 0 HD23 LEU A 537 -2.998 -8.328 1.703 1.00 0.00 H new ATOM 1455 N GLU A 538 -3.629 -5.110 -2.740 1.00 0.00 N ATOM 1456 CA GLU A 538 -3.836 -4.628 -4.101 1.00 0.00 C ATOM 1457 C GLU A 538 -2.705 -3.696 -4.525 1.00 0.00 C ATOM 1458 O GLU A 538 -2.013 -3.120 -3.686 1.00 0.00 O ATOM 1459 CB GLU A 538 -5.178 -3.902 -4.210 1.00 0.00 C ATOM 1460 CG GLU A 538 -6.366 -4.837 -4.359 1.00 0.00 C ATOM 1461 CD GLU A 538 -6.509 -5.380 -5.767 1.00 0.00 C ATOM 1462 OE1 GLU A 538 -6.237 -4.624 -6.724 1.00 0.00 O ATOM 1463 OE2 GLU A 538 -6.893 -6.559 -5.914 1.00 0.00 O ATOM 0 H GLU A 538 -3.435 -4.377 -2.057 1.00 0.00 H new ATOM 0 HA GLU A 538 -3.843 -5.490 -4.768 1.00 0.00 H new ATOM 0 HB2 GLU A 538 -5.321 -3.285 -3.323 1.00 0.00 H new ATOM 0 HB3 GLU A 538 -5.148 -3.227 -5.066 1.00 0.00 H new ATOM 0 HG2 GLU A 538 -6.259 -5.668 -3.662 1.00 0.00 H new ATOM 0 HG3 GLU A 538 -7.278 -4.306 -4.084 1.00 0.00 H new ATOM 1470 N TRP A 539 -2.523 -3.555 -5.833 1.00 0.00 N ATOM 1471 CA TRP A 539 -1.475 -2.693 -6.370 1.00 0.00 C ATOM 1472 C TRP A 539 -2.049 -1.354 -6.821 1.00 0.00 C ATOM 1473 O TRP A 539 -2.590 -1.239 -7.920 1.00 0.00 O ATOM 1474 CB TRP A 539 -0.771 -3.381 -7.541 1.00 0.00 C ATOM 1475 CG TRP A 539 0.091 -4.533 -7.122 1.00 0.00 C ATOM 1476 CD1 TRP A 539 -0.263 -5.851 -7.085 1.00 0.00 C ATOM 1477 CD2 TRP A 539 1.451 -4.468 -6.679 1.00 0.00 C ATOM 1478 NE1 TRP A 539 0.795 -6.610 -6.646 1.00 0.00 N ATOM 1479 CE2 TRP A 539 1.859 -5.786 -6.391 1.00 0.00 C ATOM 1480 CE3 TRP A 539 2.365 -3.426 -6.500 1.00 0.00 C ATOM 1481 CZ2 TRP A 539 3.139 -6.085 -5.933 1.00 0.00 C ATOM 1482 CZ3 TRP A 539 3.635 -3.725 -6.045 1.00 0.00 C ATOM 1483 CH2 TRP A 539 4.013 -5.046 -5.766 1.00 0.00 C ATOM 0 H TRP A 539 -3.087 -4.026 -6.541 1.00 0.00 H new ATOM 0 HA TRP A 539 -0.750 -2.507 -5.578 1.00 0.00 H new ATOM 0 HB2 TRP A 539 -1.521 -3.736 -8.248 1.00 0.00 H new ATOM 0 HB3 TRP A 539 -0.157 -2.650 -8.067 1.00 0.00 H new ATOM 0 HD1 TRP A 539 -1.232 -6.240 -7.360 1.00 0.00 H new ATOM 0 HE1 TRP A 539 0.789 -7.623 -6.529 1.00 0.00 H new ATOM 0 HE3 TRP A 539 2.084 -2.405 -6.713 1.00 0.00 H new ATOM 0 HZ2 TRP A 539 3.432 -7.102 -5.717 1.00 0.00 H new ATOM 0 HZ3 TRP A 539 4.349 -2.927 -5.902 1.00 0.00 H new ATOM 0 HH2 TRP A 539 5.013 -5.247 -5.412 1.00 0.00 H new