USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 441 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 564 CYS SG : rot 158:sc= 0.221 USER MOD Set 1.2: A 567 CYS SG : rot -64:sc= -0.661 USER MOD Set 1.3: A 596 HIS : no HD1:sc= 0.321 K(o=-0.38,f=-1.6) USER MOD Set 1.4: A 599 CYS SG : rot 138:sc= -0.258 USER MOD Set 2.1: A 586 ASN : amide:sc= 0.223 K(o=0.85,f=-4.4!) USER MOD Set 2.2: A 598 THR OG1 : rot 168:sc= 0.626 USER MOD Set 3.1: A 563 LYS NZ :NH3+ 173:sc= 0.696 (180deg=0) USER MOD Set 3.2: A 570 THR OG1 : rot -163:sc= 0.624 USER MOD Single : A 549 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 550 TYR OH : rot 180:sc= 0 USER MOD Single : A 556 THR OG1 : rot 180:sc= 0 USER MOD Single : A 557 SER OG : rot 127:sc= 0.0638 USER MOD Single : A 558 GLN : amide:sc= -0.0623 X(o=-0.062,f=-0.11) USER MOD Single : A 560 MET CE :methyl 140:sc=-0.00578 (180deg=-0.962) USER MOD Single : A 568 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00425) USER MOD Single : A 572 THR OG1 : rot 180:sc= 0 USER MOD Single : A 575 TYR OH : rot 180:sc= 0 USER MOD Single : A 579 SER OG : rot 180:sc= 0 USER MOD Single : A 585 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 587 THR OG1 : rot 64:sc= 0.438 USER MOD Single : A 591 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 593 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 594 TYR OH : rot 180:sc= 0 USER MOD Single : A 597 SER OG : rot -136:sc= 0.014 USER MOD Single : A 600 TYR OH : rot 180:sc= 0 USER MOD Single : A 601 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 603 THR OG1 : rot -19:sc= 0.169 USER MOD ----------------------------------------------------------------- ATOM 184 N ILE A 546 27.203 -2.598 -1.193 1.00 0.00 N ATOM 185 CA ILE A 546 28.442 -3.113 -0.580 1.00 0.00 C ATOM 186 C ILE A 546 28.494 -2.775 0.923 1.00 0.00 C ATOM 187 O ILE A 546 28.846 -3.622 1.748 1.00 0.00 O ATOM 188 CB ILE A 546 29.680 -2.535 -1.306 1.00 0.00 C ATOM 189 CG1 ILE A 546 29.740 -2.844 -2.820 1.00 0.00 C ATOM 190 CG2 ILE A 546 30.972 -3.022 -0.633 1.00 0.00 C ATOM 191 CD1 ILE A 546 30.105 -4.290 -3.170 1.00 0.00 C ATOM 0 HA ILE A 546 28.449 -4.198 -0.684 1.00 0.00 H new ATOM 0 HB ILE A 546 29.583 -1.453 -1.219 1.00 0.00 H new ATOM 0 HG12 ILE A 546 28.771 -2.612 -3.262 1.00 0.00 H new ATOM 0 HG13 ILE A 546 30.469 -2.179 -3.283 1.00 0.00 H new ATOM 0 HG21 ILE A 546 31.833 -2.606 -1.156 1.00 0.00 H new ATOM 0 HG22 ILE A 546 30.986 -2.695 0.407 1.00 0.00 H new ATOM 0 HG23 ILE A 546 31.014 -4.110 -0.672 1.00 0.00 H new ATOM 0 HD11 ILE A 546 30.122 -4.409 -4.253 1.00 0.00 H new ATOM 0 HD12 ILE A 546 31.089 -4.525 -2.764 1.00 0.00 H new ATOM 0 HD13 ILE A 546 29.365 -4.966 -2.742 1.00 0.00 H new ATOM 203 N ARG A 547 28.119 -1.543 1.292 1.00 0.00 N ATOM 204 CA ARG A 547 28.159 -1.026 2.674 1.00 0.00 C ATOM 205 C ARG A 547 27.011 -1.560 3.543 1.00 0.00 C ATOM 206 O ARG A 547 27.149 -1.626 4.762 1.00 0.00 O ATOM 207 CB ARG A 547 28.210 0.516 2.610 1.00 0.00 C ATOM 208 CG ARG A 547 28.389 1.228 3.965 1.00 0.00 C ATOM 209 CD ARG A 547 27.071 1.734 4.568 1.00 0.00 C ATOM 210 NE ARG A 547 26.533 2.888 3.818 1.00 0.00 N ATOM 211 CZ ARG A 547 25.383 3.504 4.025 1.00 0.00 C ATOM 212 NH1 ARG A 547 24.559 3.133 4.967 1.00 0.00 N ATOM 213 NH2 ARG A 547 25.042 4.523 3.290 1.00 0.00 N ATOM 0 H ARG A 547 27.770 -0.857 0.623 1.00 0.00 H new ATOM 0 HA ARG A 547 29.057 -1.390 3.173 1.00 0.00 H new ATOM 0 HB2 ARG A 547 29.030 0.809 1.954 1.00 0.00 H new ATOM 0 HB3 ARG A 547 27.289 0.874 2.149 1.00 0.00 H new ATOM 0 HG2 ARG A 547 28.861 0.542 4.668 1.00 0.00 H new ATOM 0 HG3 ARG A 547 29.068 2.071 3.837 1.00 0.00 H new ATOM 0 HD2 ARG A 547 26.338 0.927 4.569 1.00 0.00 H new ATOM 0 HD3 ARG A 547 27.232 2.019 5.608 1.00 0.00 H new ATOM 0 HE ARG A 547 27.112 3.247 3.059 1.00 0.00 H new ATOM 0 HH11 ARG A 547 24.795 2.345 5.570 1.00 0.00 H new ATOM 0 HH12 ARG A 547 23.679 3.631 5.100 1.00 0.00 H new ATOM 0 HH21 ARG A 547 25.664 4.849 2.550 1.00 0.00 H new ATOM 0 HH22 ARG A 547 24.153 4.995 3.454 1.00 0.00 H new ATOM 227 N GLY A 548 25.905 -1.974 2.924 1.00 0.00 N ATOM 228 CA GLY A 548 24.750 -2.590 3.595 1.00 0.00 C ATOM 229 C GLY A 548 24.972 -4.021 4.122 1.00 0.00 C ATOM 230 O GLY A 548 24.140 -4.514 4.889 1.00 0.00 O ATOM 0 H GLY A 548 25.780 -1.890 1.915 1.00 0.00 H new ATOM 0 HA2 GLY A 548 24.457 -1.955 4.431 1.00 0.00 H new ATOM 0 HA3 GLY A 548 23.912 -2.605 2.898 1.00 0.00 H new ATOM 234 N LYS A 549 26.067 -4.695 3.739 1.00 0.00 N ATOM 235 CA LYS A 549 26.416 -6.058 4.186 1.00 0.00 C ATOM 236 C LYS A 549 26.786 -6.119 5.673 1.00 0.00 C ATOM 237 O LYS A 549 27.312 -5.150 6.230 1.00 0.00 O ATOM 238 CB LYS A 549 27.586 -6.604 3.338 1.00 0.00 C ATOM 239 CG LYS A 549 27.341 -6.666 1.820 1.00 0.00 C ATOM 240 CD LYS A 549 26.037 -7.346 1.392 1.00 0.00 C ATOM 241 CE LYS A 549 26.008 -7.441 -0.139 1.00 0.00 C ATOM 242 NZ LYS A 549 24.709 -7.963 -0.639 1.00 0.00 N ATOM 0 H LYS A 549 26.752 -4.301 3.095 1.00 0.00 H new ATOM 0 HA LYS A 549 25.528 -6.675 4.049 1.00 0.00 H new ATOM 0 HB2 LYS A 549 28.463 -5.983 3.520 1.00 0.00 H new ATOM 0 HB3 LYS A 549 27.827 -7.607 3.689 1.00 0.00 H new ATOM 0 HG2 LYS A 549 27.347 -5.650 1.426 1.00 0.00 H new ATOM 0 HG3 LYS A 549 28.175 -7.193 1.356 1.00 0.00 H new ATOM 0 HD2 LYS A 549 25.967 -8.340 1.833 1.00 0.00 H new ATOM 0 HD3 LYS A 549 25.179 -6.777 1.751 1.00 0.00 H new ATOM 0 HE2 LYS A 549 26.192 -6.456 -0.567 1.00 0.00 H new ATOM 0 HE3 LYS A 549 26.815 -8.091 -0.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 549 24.731 -8.012 -1.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 549 24.545 -8.914 -0.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 549 23.941 -7.329 -0.338 1.00 0.00 H new ATOM 256 N TYR A 550 26.571 -7.274 6.305 1.00 0.00 N ATOM 257 CA TYR A 550 26.998 -7.572 7.681 1.00 0.00 C ATOM 258 C TYR A 550 27.183 -9.078 7.930 1.00 0.00 C ATOM 259 O TYR A 550 26.709 -9.915 7.155 1.00 0.00 O ATOM 260 CB TYR A 550 26.010 -6.967 8.704 1.00 0.00 C ATOM 261 CG TYR A 550 24.576 -7.435 8.581 1.00 0.00 C ATOM 262 CD1 TYR A 550 23.650 -6.710 7.803 1.00 0.00 C ATOM 263 CD2 TYR A 550 24.161 -8.610 9.247 1.00 0.00 C ATOM 264 CE1 TYR A 550 22.318 -7.158 7.684 1.00 0.00 C ATOM 265 CE2 TYR A 550 22.831 -9.057 9.135 1.00 0.00 C ATOM 266 CZ TYR A 550 21.906 -8.332 8.352 1.00 0.00 C ATOM 267 OH TYR A 550 20.626 -8.771 8.257 1.00 0.00 O ATOM 0 H TYR A 550 26.081 -8.053 5.865 1.00 0.00 H new ATOM 0 HA TYR A 550 27.975 -7.107 7.815 1.00 0.00 H new ATOM 0 HB2 TYR A 550 26.365 -7.201 9.708 1.00 0.00 H new ATOM 0 HB3 TYR A 550 26.029 -5.882 8.604 1.00 0.00 H new ATOM 0 HD1 TYR A 550 23.962 -5.809 7.297 1.00 0.00 H new ATOM 0 HD2 TYR A 550 24.867 -9.167 9.844 1.00 0.00 H new ATOM 0 HE1 TYR A 550 21.613 -6.603 7.082 1.00 0.00 H new ATOM 0 HE2 TYR A 550 22.518 -9.954 9.648 1.00 0.00 H new ATOM 0 HH TYR A 550 20.522 -9.593 8.780 1.00 0.00 H new ATOM 277 N VAL A 551 27.838 -9.407 9.048 1.00 0.00 N ATOM 278 CA VAL A 551 28.068 -10.774 9.557 1.00 0.00 C ATOM 279 C VAL A 551 27.791 -10.834 11.064 1.00 0.00 C ATOM 280 O VAL A 551 28.121 -9.893 11.779 1.00 0.00 O ATOM 281 CB VAL A 551 29.490 -11.290 9.209 1.00 0.00 C ATOM 282 CG1 VAL A 551 29.547 -11.836 7.775 1.00 0.00 C ATOM 283 CG2 VAL A 551 30.615 -10.258 9.369 1.00 0.00 C ATOM 0 H VAL A 551 28.244 -8.696 9.657 1.00 0.00 H new ATOM 0 HA VAL A 551 27.368 -11.443 9.057 1.00 0.00 H new ATOM 0 HB VAL A 551 29.667 -12.077 9.943 1.00 0.00 H new ATOM 0 HG11 VAL A 551 30.555 -12.190 7.560 1.00 0.00 H new ATOM 0 HG12 VAL A 551 28.843 -12.662 7.672 1.00 0.00 H new ATOM 0 HG13 VAL A 551 29.283 -11.044 7.074 1.00 0.00 H new ATOM 0 HG21 VAL A 551 31.568 -10.715 9.102 1.00 0.00 H new ATOM 0 HG22 VAL A 551 30.424 -9.407 8.715 1.00 0.00 H new ATOM 0 HG23 VAL A 551 30.652 -9.918 10.404 1.00 0.00 H new ATOM 293 N VAL A 552 27.168 -11.904 11.568 1.00 0.00 N ATOM 294 CA VAL A 552 26.806 -12.033 13.001 1.00 0.00 C ATOM 295 C VAL A 552 28.051 -12.193 13.876 1.00 0.00 C ATOM 296 O VAL A 552 28.910 -13.033 13.604 1.00 0.00 O ATOM 297 CB VAL A 552 25.797 -13.179 13.230 1.00 0.00 C ATOM 298 CG1 VAL A 552 25.510 -13.498 14.708 1.00 0.00 C ATOM 299 CG2 VAL A 552 24.445 -12.861 12.567 1.00 0.00 C ATOM 0 H VAL A 552 26.897 -12.709 11.003 1.00 0.00 H new ATOM 0 HA VAL A 552 26.314 -11.108 13.300 1.00 0.00 H new ATOM 0 HB VAL A 552 26.279 -14.048 12.783 1.00 0.00 H new ATOM 0 HG11 VAL A 552 24.791 -14.315 14.771 1.00 0.00 H new ATOM 0 HG12 VAL A 552 26.436 -13.790 15.204 1.00 0.00 H new ATOM 0 HG13 VAL A 552 25.100 -12.615 15.198 1.00 0.00 H new ATOM 0 HG21 VAL A 552 23.751 -13.683 12.742 1.00 0.00 H new ATOM 0 HG22 VAL A 552 24.037 -11.945 12.994 1.00 0.00 H new ATOM 0 HG23 VAL A 552 24.588 -12.729 11.494 1.00 0.00 H new ATOM 309 N VAL A 553 28.141 -11.401 14.952 1.00 0.00 N ATOM 310 CA VAL A 553 29.178 -11.528 15.987 1.00 0.00 C ATOM 311 C VAL A 553 28.822 -12.675 16.952 1.00 0.00 C ATOM 312 O VAL A 553 27.749 -12.631 17.564 1.00 0.00 O ATOM 313 CB VAL A 553 29.370 -10.228 16.800 1.00 0.00 C ATOM 314 CG1 VAL A 553 30.655 -10.368 17.624 1.00 0.00 C ATOM 315 CG2 VAL A 553 29.489 -8.952 15.965 1.00 0.00 C ATOM 0 H VAL A 553 27.485 -10.641 15.132 1.00 0.00 H new ATOM 0 HA VAL A 553 30.114 -11.739 15.470 1.00 0.00 H new ATOM 0 HB VAL A 553 28.471 -10.116 17.407 1.00 0.00 H new ATOM 0 HG11 VAL A 553 30.813 -9.461 18.208 1.00 0.00 H new ATOM 0 HG12 VAL A 553 30.565 -11.221 18.296 1.00 0.00 H new ATOM 0 HG13 VAL A 553 31.502 -10.521 16.955 1.00 0.00 H new ATOM 0 HG21 VAL A 553 29.621 -8.095 16.626 1.00 0.00 H new ATOM 0 HG22 VAL A 553 30.348 -9.032 15.299 1.00 0.00 H new ATOM 0 HG23 VAL A 553 28.583 -8.818 15.374 1.00 0.00 H new ATOM 325 N PRO A 554 29.683 -13.698 17.128 1.00 0.00 N ATOM 326 CA PRO A 554 29.438 -14.778 18.085 1.00 0.00 C ATOM 327 C PRO A 554 29.693 -14.339 19.536 1.00 0.00 C ATOM 328 O PRO A 554 30.508 -13.455 19.809 1.00 0.00 O ATOM 329 CB PRO A 554 30.400 -15.893 17.666 1.00 0.00 C ATOM 330 CG PRO A 554 31.596 -15.133 17.093 1.00 0.00 C ATOM 331 CD PRO A 554 30.949 -13.912 16.434 1.00 0.00 C ATOM 0 HA PRO A 554 28.396 -15.098 18.067 1.00 0.00 H new ATOM 0 HB2 PRO A 554 30.688 -16.515 18.514 1.00 0.00 H new ATOM 0 HB3 PRO A 554 29.951 -16.553 16.924 1.00 0.00 H new ATOM 0 HG2 PRO A 554 32.301 -14.844 17.873 1.00 0.00 H new ATOM 0 HG3 PRO A 554 32.148 -15.735 16.371 1.00 0.00 H new ATOM 0 HD2 PRO A 554 31.593 -13.037 16.520 1.00 0.00 H new ATOM 0 HD3 PRO A 554 30.786 -14.085 15.370 1.00 0.00 H new ATOM 339 N GLU A 555 29.071 -15.021 20.497 1.00 0.00 N ATOM 340 CA GLU A 555 29.295 -14.816 21.938 1.00 0.00 C ATOM 341 C GLU A 555 30.713 -15.216 22.404 1.00 0.00 C ATOM 342 O GLU A 555 31.167 -14.794 23.470 1.00 0.00 O ATOM 343 CB GLU A 555 28.191 -15.541 22.740 1.00 0.00 C ATOM 344 CG GLU A 555 28.298 -17.077 22.872 1.00 0.00 C ATOM 345 CD GLU A 555 27.917 -17.915 21.630 1.00 0.00 C ATOM 346 OE1 GLU A 555 27.432 -17.370 20.608 1.00 0.00 O ATOM 347 OE2 GLU A 555 28.082 -19.158 21.673 1.00 0.00 O ATOM 0 H GLU A 555 28.383 -15.747 20.298 1.00 0.00 H new ATOM 0 HA GLU A 555 29.232 -13.745 22.133 1.00 0.00 H new ATOM 0 HB2 GLU A 555 28.171 -15.118 23.744 1.00 0.00 H new ATOM 0 HB3 GLU A 555 27.232 -15.309 22.277 1.00 0.00 H new ATOM 0 HG2 GLU A 555 29.324 -17.323 23.145 1.00 0.00 H new ATOM 0 HG3 GLU A 555 27.663 -17.391 23.701 1.00 0.00 H new ATOM 354 N THR A 556 31.427 -16.005 21.586 1.00 0.00 N ATOM 355 CA THR A 556 32.842 -16.378 21.763 1.00 0.00 C ATOM 356 C THR A 556 33.815 -15.296 21.273 1.00 0.00 C ATOM 357 O THR A 556 35.016 -15.413 21.518 1.00 0.00 O ATOM 358 CB THR A 556 33.143 -17.709 21.048 1.00 0.00 C ATOM 359 OG1 THR A 556 32.883 -17.612 19.656 1.00 0.00 O ATOM 360 CG2 THR A 556 32.301 -18.857 21.598 1.00 0.00 C ATOM 0 H THR A 556 31.018 -16.418 20.748 1.00 0.00 H new ATOM 0 HA THR A 556 32.997 -16.489 22.836 1.00 0.00 H new ATOM 0 HB THR A 556 34.199 -17.913 21.225 1.00 0.00 H new ATOM 0 HG1 THR A 556 33.084 -18.469 19.225 1.00 0.00 H new ATOM 0 HG21 THR A 556 32.546 -19.776 21.065 1.00 0.00 H new ATOM 0 HG22 THR A 556 32.511 -18.986 22.660 1.00 0.00 H new ATOM 0 HG23 THR A 556 31.244 -18.630 21.463 1.00 0.00 H new ATOM 368 N SER A 557 33.339 -14.249 20.585 1.00 0.00 N ATOM 369 CA SER A 557 34.175 -13.150 20.078 1.00 0.00 C ATOM 370 C SER A 557 34.925 -12.402 21.184 1.00 0.00 C ATOM 371 O SER A 557 34.391 -12.142 22.267 1.00 0.00 O ATOM 372 CB SER A 557 33.316 -12.154 19.291 1.00 0.00 C ATOM 373 OG SER A 557 34.112 -11.102 18.780 1.00 0.00 O ATOM 0 H SER A 557 32.350 -14.139 20.362 1.00 0.00 H new ATOM 0 HA SER A 557 34.923 -13.608 19.430 1.00 0.00 H new ATOM 0 HB2 SER A 557 32.814 -12.668 18.471 1.00 0.00 H new ATOM 0 HB3 SER A 557 32.538 -11.747 19.937 1.00 0.00 H new ATOM 0 HG SER A 557 33.957 -11.013 17.816 1.00 0.00 H new ATOM 379 N GLN A 558 36.172 -12.026 20.897 1.00 0.00 N ATOM 380 CA GLN A 558 36.997 -11.175 21.766 1.00 0.00 C ATOM 381 C GLN A 558 36.524 -9.710 21.678 1.00 0.00 C ATOM 382 O GLN A 558 36.882 -8.975 20.756 1.00 0.00 O ATOM 383 CB GLN A 558 38.487 -11.324 21.402 1.00 0.00 C ATOM 384 CG GLN A 558 39.005 -12.771 21.542 1.00 0.00 C ATOM 385 CD GLN A 558 38.854 -13.369 22.946 1.00 0.00 C ATOM 386 OE1 GLN A 558 38.969 -12.699 23.969 1.00 0.00 O ATOM 387 NE2 GLN A 558 38.615 -14.661 23.061 1.00 0.00 N ATOM 0 H GLN A 558 36.648 -12.307 20.040 1.00 0.00 H new ATOM 0 HA GLN A 558 36.881 -11.496 22.801 1.00 0.00 H new ATOM 0 HB2 GLN A 558 38.639 -10.988 20.376 1.00 0.00 H new ATOM 0 HB3 GLN A 558 39.078 -10.670 22.043 1.00 0.00 H new ATOM 0 HG2 GLN A 558 38.472 -13.404 20.832 1.00 0.00 H new ATOM 0 HG3 GLN A 558 40.058 -12.795 21.262 1.00 0.00 H new ATOM 0 HE21 GLN A 558 38.516 -15.238 22.226 1.00 0.00 H new ATOM 0 HE22 GLN A 558 38.529 -15.084 23.985 1.00 0.00 H new ATOM 396 N ASP A 559 35.693 -9.293 22.642 1.00 0.00 N ATOM 397 CA ASP A 559 35.145 -7.934 22.793 1.00 0.00 C ATOM 398 C ASP A 559 34.393 -7.392 21.546 1.00 0.00 C ATOM 399 O ASP A 559 34.307 -6.176 21.344 1.00 0.00 O ATOM 400 CB ASP A 559 36.216 -6.963 23.333 1.00 0.00 C ATOM 401 CG ASP A 559 36.923 -7.423 24.625 1.00 0.00 C ATOM 402 OD1 ASP A 559 38.087 -7.016 24.849 1.00 0.00 O ATOM 403 OD2 ASP A 559 36.311 -8.138 25.455 1.00 0.00 O ATOM 0 H ASP A 559 35.367 -9.923 23.375 1.00 0.00 H new ATOM 0 HA ASP A 559 34.358 -8.009 23.544 1.00 0.00 H new ATOM 0 HB2 ASP A 559 36.969 -6.810 22.560 1.00 0.00 H new ATOM 0 HB3 ASP A 559 35.748 -5.996 23.518 1.00 0.00 H new ATOM 408 N MET A 560 33.847 -8.280 20.699 1.00 0.00 N ATOM 409 CA MET A 560 33.092 -7.949 19.481 1.00 0.00 C ATOM 410 C MET A 560 33.860 -7.087 18.462 1.00 0.00 C ATOM 411 O MET A 560 33.250 -6.270 17.766 1.00 0.00 O ATOM 412 CB MET A 560 31.697 -7.400 19.828 1.00 0.00 C ATOM 413 CG MET A 560 30.909 -8.389 20.688 1.00 0.00 C ATOM 414 SD MET A 560 29.116 -8.191 20.562 1.00 0.00 S ATOM 415 CE MET A 560 28.598 -9.903 20.875 1.00 0.00 C ATOM 0 H MET A 560 33.923 -9.286 20.850 1.00 0.00 H new ATOM 0 HA MET A 560 32.949 -8.889 18.948 1.00 0.00 H new ATOM 0 HB2 MET A 560 31.798 -6.453 20.359 1.00 0.00 H new ATOM 0 HB3 MET A 560 31.146 -7.194 18.910 1.00 0.00 H new ATOM 0 HG2 MET A 560 31.175 -9.405 20.395 1.00 0.00 H new ATOM 0 HG3 MET A 560 31.207 -8.269 21.730 1.00 0.00 H new ATOM 0 HE1 MET A 560 27.709 -9.905 21.506 1.00 0.00 H new ATOM 0 HE2 MET A 560 28.372 -10.393 19.928 1.00 0.00 H new ATOM 0 HE3 MET A 560 29.402 -10.440 21.379 1.00 0.00 H new ATOM 425 N ALA A 561 35.185 -7.251 18.357 1.00 0.00 N ATOM 426 CA ALA A 561 36.043 -6.397 17.529 1.00 0.00 C ATOM 427 C ALA A 561 37.120 -7.142 16.723 1.00 0.00 C ATOM 428 O ALA A 561 37.665 -8.160 17.151 1.00 0.00 O ATOM 429 CB ALA A 561 36.657 -5.311 18.425 1.00 0.00 C ATOM 0 H ALA A 561 35.694 -7.986 18.848 1.00 0.00 H new ATOM 0 HA ALA A 561 35.409 -5.954 16.761 1.00 0.00 H new ATOM 0 HB1 ALA A 561 37.299 -4.665 17.826 1.00 0.00 H new ATOM 0 HB2 ALA A 561 35.861 -4.716 18.873 1.00 0.00 H new ATOM 0 HB3 ALA A 561 37.247 -5.780 19.212 1.00 0.00 H new ATOM 435 N PHE A 562 37.451 -6.566 15.562 1.00 0.00 N ATOM 436 CA PHE A 562 38.557 -6.936 14.666 1.00 0.00 C ATOM 437 C PHE A 562 39.074 -5.690 13.925 1.00 0.00 C ATOM 438 O PHE A 562 38.411 -4.652 13.927 1.00 0.00 O ATOM 439 CB PHE A 562 38.116 -8.018 13.658 1.00 0.00 C ATOM 440 CG PHE A 562 38.167 -9.442 14.186 1.00 0.00 C ATOM 441 CD1 PHE A 562 39.412 -10.012 14.525 1.00 0.00 C ATOM 442 CD2 PHE A 562 36.998 -10.213 14.308 1.00 0.00 C ATOM 443 CE1 PHE A 562 39.480 -11.335 14.999 1.00 0.00 C ATOM 444 CE2 PHE A 562 37.066 -11.533 14.788 1.00 0.00 C ATOM 445 CZ PHE A 562 38.304 -12.092 15.138 1.00 0.00 C ATOM 0 H PHE A 562 36.919 -5.776 15.197 1.00 0.00 H new ATOM 0 HA PHE A 562 39.364 -7.350 15.270 1.00 0.00 H new ATOM 0 HB2 PHE A 562 37.097 -7.801 13.337 1.00 0.00 H new ATOM 0 HB3 PHE A 562 38.750 -7.951 12.774 1.00 0.00 H new ATOM 0 HD1 PHE A 562 40.316 -9.431 14.420 1.00 0.00 H new ATOM 0 HD2 PHE A 562 36.044 -9.790 14.032 1.00 0.00 H new ATOM 0 HE1 PHE A 562 40.435 -11.769 15.256 1.00 0.00 H new ATOM 0 HE2 PHE A 562 36.163 -12.118 14.887 1.00 0.00 H new ATOM 0 HZ PHE A 562 38.353 -13.103 15.514 1.00 0.00 H new ATOM 455 N LYS A 563 40.255 -5.765 13.291 1.00 0.00 N ATOM 456 CA LYS A 563 40.870 -4.642 12.563 1.00 0.00 C ATOM 457 C LYS A 563 41.046 -4.943 11.068 1.00 0.00 C ATOM 458 O LYS A 563 41.551 -6.001 10.698 1.00 0.00 O ATOM 459 CB LYS A 563 42.189 -4.242 13.250 1.00 0.00 C ATOM 460 CG LYS A 563 42.662 -2.830 12.850 1.00 0.00 C ATOM 461 CD LYS A 563 44.041 -2.466 13.421 1.00 0.00 C ATOM 462 CE LYS A 563 44.178 -2.600 14.948 1.00 0.00 C ATOM 463 NZ LYS A 563 43.350 -1.614 15.696 1.00 0.00 N ATOM 0 H LYS A 563 40.816 -6.616 13.269 1.00 0.00 H new ATOM 0 HA LYS A 563 40.194 -3.788 12.604 1.00 0.00 H new ATOM 0 HB2 LYS A 563 42.059 -4.285 14.331 1.00 0.00 H new ATOM 0 HB3 LYS A 563 42.962 -4.966 12.993 1.00 0.00 H new ATOM 0 HG2 LYS A 563 42.697 -2.761 11.763 1.00 0.00 H new ATOM 0 HG3 LYS A 563 41.930 -2.099 13.193 1.00 0.00 H new ATOM 0 HD2 LYS A 563 44.790 -3.101 12.949 1.00 0.00 H new ATOM 0 HD3 LYS A 563 44.272 -1.438 13.141 1.00 0.00 H new ATOM 0 HE2 LYS A 563 43.890 -3.608 15.246 1.00 0.00 H new ATOM 0 HE3 LYS A 563 45.224 -2.472 15.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 563 43.390 -1.828 16.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 563 43.716 -0.655 15.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 563 42.364 -1.670 15.369 1.00 0.00 H new ATOM 477 N CYS A 564 40.663 -3.974 10.239 1.00 0.00 N ATOM 478 CA CYS A 564 40.890 -3.908 8.805 1.00 0.00 C ATOM 479 C CYS A 564 42.372 -3.579 8.506 1.00 0.00 C ATOM 480 O CYS A 564 42.779 -2.442 8.780 1.00 0.00 O ATOM 481 CB CYS A 564 40.001 -2.774 8.259 1.00 0.00 C ATOM 482 SG CYS A 564 39.905 -2.862 6.442 1.00 0.00 S ATOM 0 H CYS A 564 40.151 -3.160 10.580 1.00 0.00 H new ATOM 0 HA CYS A 564 40.652 -4.865 8.340 1.00 0.00 H new ATOM 0 HB2 CYS A 564 39.001 -2.849 8.686 1.00 0.00 H new ATOM 0 HB3 CYS A 564 40.405 -1.808 8.562 1.00 0.00 H new ATOM 0 HG CYS A 564 38.833 -2.251 6.034 1.00 0.00 H new ATOM 487 N PRO A 565 43.174 -4.500 7.941 1.00 0.00 N ATOM 488 CA PRO A 565 44.562 -4.215 7.556 1.00 0.00 C ATOM 489 C PRO A 565 44.699 -3.275 6.341 1.00 0.00 C ATOM 490 O PRO A 565 45.783 -2.742 6.118 1.00 0.00 O ATOM 491 CB PRO A 565 45.172 -5.593 7.258 1.00 0.00 C ATOM 492 CG PRO A 565 43.976 -6.407 6.768 1.00 0.00 C ATOM 493 CD PRO A 565 42.854 -5.901 7.671 1.00 0.00 C ATOM 0 HA PRO A 565 45.073 -3.679 8.356 1.00 0.00 H new ATOM 0 HB2 PRO A 565 45.954 -5.532 6.501 1.00 0.00 H new ATOM 0 HB3 PRO A 565 45.622 -6.035 8.147 1.00 0.00 H new ATOM 0 HG2 PRO A 565 43.764 -6.226 5.714 1.00 0.00 H new ATOM 0 HG3 PRO A 565 44.138 -7.479 6.881 1.00 0.00 H new ATOM 0 HD2 PRO A 565 41.884 -5.995 7.183 1.00 0.00 H new ATOM 0 HD3 PRO A 565 42.803 -6.477 8.595 1.00 0.00 H new ATOM 501 N ILE A 566 43.633 -3.054 5.562 1.00 0.00 N ATOM 502 CA ILE A 566 43.644 -2.197 4.361 1.00 0.00 C ATOM 503 C ILE A 566 43.699 -0.710 4.748 1.00 0.00 C ATOM 504 O ILE A 566 44.632 -0.012 4.339 1.00 0.00 O ATOM 505 CB ILE A 566 42.425 -2.507 3.461 1.00 0.00 C ATOM 506 CG1 ILE A 566 42.511 -3.955 2.917 1.00 0.00 C ATOM 507 CG2 ILE A 566 42.329 -1.508 2.291 1.00 0.00 C ATOM 508 CD1 ILE A 566 41.275 -4.432 2.132 1.00 0.00 C ATOM 0 H ILE A 566 42.721 -3.471 5.748 1.00 0.00 H new ATOM 0 HA ILE A 566 44.544 -2.417 3.788 1.00 0.00 H new ATOM 0 HB ILE A 566 41.526 -2.408 4.069 1.00 0.00 H new ATOM 0 HG12 ILE A 566 43.385 -4.032 2.270 1.00 0.00 H new ATOM 0 HG13 ILE A 566 42.674 -4.633 3.755 1.00 0.00 H new ATOM 0 HG21 ILE A 566 41.463 -1.751 1.675 1.00 0.00 H new ATOM 0 HG22 ILE A 566 42.223 -0.497 2.684 1.00 0.00 H new ATOM 0 HG23 ILE A 566 43.233 -1.569 1.685 1.00 0.00 H new ATOM 0 HD11 ILE A 566 41.432 -5.456 1.793 1.00 0.00 H new ATOM 0 HD12 ILE A 566 40.397 -4.394 2.777 1.00 0.00 H new ATOM 0 HD13 ILE A 566 41.120 -3.784 1.269 1.00 0.00 H new ATOM 520 N CYS A 567 42.743 -0.243 5.557 1.00 0.00 N ATOM 521 CA CYS A 567 42.644 1.143 6.019 1.00 0.00 C ATOM 522 C CYS A 567 43.131 1.356 7.476 1.00 0.00 C ATOM 523 O CYS A 567 43.156 2.490 7.963 1.00 0.00 O ATOM 524 CB CYS A 567 41.215 1.653 5.756 1.00 0.00 C ATOM 525 SG CYS A 567 40.005 1.012 6.951 1.00 0.00 S ATOM 0 H CYS A 567 41.996 -0.836 5.918 1.00 0.00 H new ATOM 0 HA CYS A 567 43.340 1.752 5.442 1.00 0.00 H new ATOM 0 HB2 CYS A 567 41.211 2.742 5.791 1.00 0.00 H new ATOM 0 HB3 CYS A 567 40.911 1.366 4.749 1.00 0.00 H new ATOM 0 HG CYS A 567 39.921 -0.280 6.833 1.00 0.00 H new ATOM 530 N LYS A 568 43.546 0.270 8.150 1.00 0.00 N ATOM 531 CA LYS A 568 44.015 0.216 9.550 1.00 0.00 C ATOM 532 C LYS A 568 42.939 0.623 10.573 1.00 0.00 C ATOM 533 O LYS A 568 43.244 1.347 11.522 1.00 0.00 O ATOM 534 CB LYS A 568 45.360 0.958 9.718 1.00 0.00 C ATOM 535 CG LYS A 568 46.470 0.595 8.715 1.00 0.00 C ATOM 536 CD LYS A 568 46.969 -0.851 8.850 1.00 0.00 C ATOM 537 CE LYS A 568 48.038 -1.192 7.797 1.00 0.00 C ATOM 538 NZ LYS A 568 49.310 -0.444 8.003 1.00 0.00 N ATOM 0 H LYS A 568 43.565 -0.649 7.708 1.00 0.00 H new ATOM 0 HA LYS A 568 44.211 -0.831 9.784 1.00 0.00 H new ATOM 0 HB2 LYS A 568 45.171 2.029 9.646 1.00 0.00 H new ATOM 0 HB3 LYS A 568 45.733 0.767 10.724 1.00 0.00 H new ATOM 0 HG2 LYS A 568 46.098 0.749 7.702 1.00 0.00 H new ATOM 0 HG3 LYS A 568 47.310 1.275 8.853 1.00 0.00 H new ATOM 0 HD2 LYS A 568 47.382 -1.000 9.848 1.00 0.00 H new ATOM 0 HD3 LYS A 568 46.127 -1.536 8.747 1.00 0.00 H new ATOM 0 HE2 LYS A 568 48.242 -2.262 7.827 1.00 0.00 H new ATOM 0 HE3 LYS A 568 47.647 -0.969 6.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 50.005 -0.737 7.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 49.131 0.577 7.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 49.683 -0.649 8.952 1.00 0.00 H new ATOM 552 N GLU A 569 41.687 0.183 10.393 1.00 0.00 N ATOM 553 CA GLU A 569 40.559 0.620 11.250 1.00 0.00 C ATOM 554 C GLU A 569 39.825 -0.532 11.942 1.00 0.00 C ATOM 555 O GLU A 569 39.678 -1.615 11.384 1.00 0.00 O ATOM 556 CB GLU A 569 39.550 1.453 10.447 1.00 0.00 C ATOM 557 CG GLU A 569 40.045 2.861 10.065 1.00 0.00 C ATOM 558 CD GLU A 569 40.272 3.795 11.278 1.00 0.00 C ATOM 559 OE1 GLU A 569 41.141 4.699 11.198 1.00 0.00 O ATOM 560 OE2 GLU A 569 39.573 3.660 12.313 1.00 0.00 O ATOM 0 H GLU A 569 41.422 -0.477 9.662 1.00 0.00 H new ATOM 0 HA GLU A 569 41.012 1.228 12.033 1.00 0.00 H new ATOM 0 HB2 GLU A 569 39.295 0.912 9.536 1.00 0.00 H new ATOM 0 HB3 GLU A 569 38.633 1.549 11.028 1.00 0.00 H new ATOM 0 HG2 GLU A 569 40.978 2.769 9.510 1.00 0.00 H new ATOM 0 HG3 GLU A 569 39.319 3.322 9.395 1.00 0.00 H new ATOM 567 N THR A 570 39.343 -0.297 13.164 1.00 0.00 N ATOM 568 CA THR A 570 38.730 -1.335 14.015 1.00 0.00 C ATOM 569 C THR A 570 37.204 -1.365 13.853 1.00 0.00 C ATOM 570 O THR A 570 36.534 -0.364 14.116 1.00 0.00 O ATOM 571 CB THR A 570 39.132 -1.128 15.485 1.00 0.00 C ATOM 572 OG1 THR A 570 40.542 -1.027 15.572 1.00 0.00 O ATOM 573 CG2 THR A 570 38.715 -2.286 16.388 1.00 0.00 C ATOM 0 H THR A 570 39.364 0.625 13.600 1.00 0.00 H new ATOM 0 HA THR A 570 39.106 -2.305 13.691 1.00 0.00 H new ATOM 0 HB THR A 570 38.624 -0.223 15.818 1.00 0.00 H new ATOM 0 HG1 THR A 570 40.823 -1.165 16.501 1.00 0.00 H new ATOM 0 HG21 THR A 570 39.027 -2.080 17.412 1.00 0.00 H new ATOM 0 HG22 THR A 570 37.632 -2.401 16.355 1.00 0.00 H new ATOM 0 HG23 THR A 570 39.188 -3.205 16.043 1.00 0.00 H new ATOM 581 N VAL A 571 36.636 -2.504 13.438 1.00 0.00 N ATOM 582 CA VAL A 571 35.188 -2.771 13.454 1.00 0.00 C ATOM 583 C VAL A 571 34.713 -3.179 14.847 1.00 0.00 C ATOM 584 O VAL A 571 35.436 -3.852 15.585 1.00 0.00 O ATOM 585 CB VAL A 571 34.737 -3.845 12.445 1.00 0.00 C ATOM 586 CG1 VAL A 571 34.729 -3.290 11.027 1.00 0.00 C ATOM 587 CG2 VAL A 571 35.553 -5.131 12.479 1.00 0.00 C ATOM 0 H VAL A 571 37.181 -3.285 13.073 1.00 0.00 H new ATOM 0 HA VAL A 571 34.730 -1.827 13.157 1.00 0.00 H new ATOM 0 HB VAL A 571 33.727 -4.112 12.757 1.00 0.00 H new ATOM 0 HG11 VAL A 571 34.407 -4.067 10.334 1.00 0.00 H new ATOM 0 HG12 VAL A 571 34.041 -2.446 10.970 1.00 0.00 H new ATOM 0 HG13 VAL A 571 35.733 -2.959 10.760 1.00 0.00 H new ATOM 0 HG21 VAL A 571 35.165 -5.828 11.736 1.00 0.00 H new ATOM 0 HG22 VAL A 571 36.596 -4.906 12.255 1.00 0.00 H new ATOM 0 HG23 VAL A 571 35.483 -5.580 13.470 1.00 0.00 H new ATOM 597 N THR A 572 33.464 -2.830 15.169 1.00 0.00 N ATOM 598 CA THR A 572 32.776 -3.215 16.409 1.00 0.00 C ATOM 599 C THR A 572 31.366 -3.740 16.120 1.00 0.00 C ATOM 600 O THR A 572 30.693 -3.259 15.204 1.00 0.00 O ATOM 601 CB THR A 572 32.720 -2.051 17.416 1.00 0.00 C ATOM 602 OG1 THR A 572 32.129 -0.886 16.859 1.00 0.00 O ATOM 603 CG2 THR A 572 34.110 -1.669 17.930 1.00 0.00 C ATOM 0 H THR A 572 32.885 -2.255 14.557 1.00 0.00 H new ATOM 0 HA THR A 572 33.358 -4.019 16.860 1.00 0.00 H new ATOM 0 HB THR A 572 32.107 -2.416 18.240 1.00 0.00 H new ATOM 0 HG1 THR A 572 32.112 -0.174 17.532 1.00 0.00 H new ATOM 0 HG21 THR A 572 34.022 -0.844 18.637 1.00 0.00 H new ATOM 0 HG22 THR A 572 34.562 -2.527 18.427 1.00 0.00 H new ATOM 0 HG23 THR A 572 34.736 -1.363 17.092 1.00 0.00 H new ATOM 611 N GLY A 573 30.917 -4.730 16.889 1.00 0.00 N ATOM 612 CA GLY A 573 29.576 -5.307 16.795 1.00 0.00 C ATOM 613 C GLY A 573 28.451 -4.344 17.214 1.00 0.00 C ATOM 614 O GLY A 573 28.649 -3.464 18.056 1.00 0.00 O ATOM 0 H GLY A 573 31.489 -5.164 17.613 1.00 0.00 H new ATOM 0 HA2 GLY A 573 29.401 -5.629 15.769 1.00 0.00 H new ATOM 0 HA3 GLY A 573 29.530 -6.198 17.421 1.00 0.00 H new ATOM 618 N VAL A 574 27.255 -4.545 16.643 1.00 0.00 N ATOM 619 CA VAL A 574 26.025 -3.770 16.910 1.00 0.00 C ATOM 620 C VAL A 574 24.818 -4.703 17.131 1.00 0.00 C ATOM 621 O VAL A 574 24.669 -5.682 16.405 1.00 0.00 O ATOM 622 CB VAL A 574 25.744 -2.773 15.768 1.00 0.00 C ATOM 623 CG1 VAL A 574 24.515 -1.896 16.065 1.00 0.00 C ATOM 624 CG2 VAL A 574 26.934 -1.828 15.531 1.00 0.00 C ATOM 0 H VAL A 574 27.107 -5.282 15.953 1.00 0.00 H new ATOM 0 HA VAL A 574 26.182 -3.201 17.826 1.00 0.00 H new ATOM 0 HB VAL A 574 25.565 -3.384 14.883 1.00 0.00 H new ATOM 0 HG11 VAL A 574 24.351 -1.207 15.236 1.00 0.00 H new ATOM 0 HG12 VAL A 574 23.637 -2.530 16.189 1.00 0.00 H new ATOM 0 HG13 VAL A 574 24.685 -1.329 16.980 1.00 0.00 H new ATOM 0 HG21 VAL A 574 26.697 -1.141 14.719 1.00 0.00 H new ATOM 0 HG22 VAL A 574 27.134 -1.260 16.440 1.00 0.00 H new ATOM 0 HG23 VAL A 574 27.815 -2.412 15.266 1.00 0.00 H new ATOM 634 N TYR A 575 23.954 -4.426 18.115 1.00 0.00 N ATOM 635 CA TYR A 575 22.849 -5.322 18.488 1.00 0.00 C ATOM 636 C TYR A 575 21.717 -5.410 17.445 1.00 0.00 C ATOM 637 O TYR A 575 21.300 -4.403 16.866 1.00 0.00 O ATOM 638 CB TYR A 575 22.304 -4.911 19.864 1.00 0.00 C ATOM 639 CG TYR A 575 21.262 -5.841 20.460 1.00 0.00 C ATOM 640 CD1 TYR A 575 19.993 -5.352 20.830 1.00 0.00 C ATOM 641 CD2 TYR A 575 21.584 -7.195 20.669 1.00 0.00 C ATOM 642 CE1 TYR A 575 19.048 -6.218 21.415 1.00 0.00 C ATOM 643 CE2 TYR A 575 20.633 -8.069 21.231 1.00 0.00 C ATOM 644 CZ TYR A 575 19.356 -7.584 21.603 1.00 0.00 C ATOM 645 OH TYR A 575 18.454 -8.430 22.173 1.00 0.00 O ATOM 0 H TYR A 575 24.000 -3.575 18.676 1.00 0.00 H new ATOM 0 HA TYR A 575 23.264 -6.329 18.530 1.00 0.00 H new ATOM 0 HB2 TYR A 575 23.140 -4.838 20.559 1.00 0.00 H new ATOM 0 HB3 TYR A 575 21.871 -3.914 19.781 1.00 0.00 H new ATOM 0 HD1 TYR A 575 19.745 -4.314 20.665 1.00 0.00 H new ATOM 0 HD2 TYR A 575 22.562 -7.565 20.398 1.00 0.00 H new ATOM 0 HE1 TYR A 575 18.085 -5.836 21.721 1.00 0.00 H new ATOM 0 HE2 TYR A 575 20.878 -9.110 21.378 1.00 0.00 H new ATOM 0 HH TYR A 575 18.836 -9.331 22.222 1.00 0.00 H new ATOM 655 N ASP A 576 21.186 -6.616 17.260 1.00 0.00 N ATOM 656 CA ASP A 576 19.991 -6.951 16.481 1.00 0.00 C ATOM 657 C ASP A 576 18.883 -7.483 17.400 1.00 0.00 C ATOM 658 O ASP A 576 18.952 -8.617 17.885 1.00 0.00 O ATOM 659 CB ASP A 576 20.330 -8.017 15.421 1.00 0.00 C ATOM 660 CG ASP A 576 19.109 -8.444 14.575 1.00 0.00 C ATOM 661 OD1 ASP A 576 19.165 -9.532 13.961 1.00 0.00 O ATOM 662 OD2 ASP A 576 18.099 -7.696 14.515 1.00 0.00 O ATOM 0 H ASP A 576 21.607 -7.445 17.679 1.00 0.00 H new ATOM 0 HA ASP A 576 19.640 -6.045 15.986 1.00 0.00 H new ATOM 0 HB2 ASP A 576 21.104 -7.629 14.759 1.00 0.00 H new ATOM 0 HB3 ASP A 576 20.745 -8.894 15.917 1.00 0.00 H new ATOM 667 N GLU A 577 17.839 -6.671 17.594 1.00 0.00 N ATOM 668 CA GLU A 577 16.681 -6.983 18.444 1.00 0.00 C ATOM 669 C GLU A 577 15.810 -8.150 17.929 1.00 0.00 C ATOM 670 O GLU A 577 15.149 -8.811 18.734 1.00 0.00 O ATOM 671 CB GLU A 577 15.795 -5.728 18.560 1.00 0.00 C ATOM 672 CG GLU A 577 16.504 -4.493 19.145 1.00 0.00 C ATOM 673 CD GLU A 577 15.549 -3.290 19.292 1.00 0.00 C ATOM 674 OE1 GLU A 577 15.841 -2.201 18.743 1.00 0.00 O ATOM 675 OE2 GLU A 577 14.502 -3.412 19.980 1.00 0.00 O ATOM 0 H GLU A 577 17.772 -5.754 17.153 1.00 0.00 H new ATOM 0 HA GLU A 577 17.085 -7.295 19.407 1.00 0.00 H new ATOM 0 HB2 GLU A 577 15.413 -5.476 17.570 1.00 0.00 H new ATOM 0 HB3 GLU A 577 14.933 -5.965 19.184 1.00 0.00 H new ATOM 0 HG2 GLU A 577 16.923 -4.744 20.120 1.00 0.00 H new ATOM 0 HG3 GLU A 577 17.339 -4.216 18.501 1.00 0.00 H new ATOM 682 N GLU A 578 15.776 -8.404 16.613 1.00 0.00 N ATOM 683 CA GLU A 578 14.930 -9.444 16.009 1.00 0.00 C ATOM 684 C GLU A 578 15.486 -10.861 16.258 1.00 0.00 C ATOM 685 O GLU A 578 14.757 -11.737 16.738 1.00 0.00 O ATOM 686 CB GLU A 578 14.737 -9.177 14.505 1.00 0.00 C ATOM 687 CG GLU A 578 13.820 -10.213 13.834 1.00 0.00 C ATOM 688 CD GLU A 578 13.494 -9.821 12.381 1.00 0.00 C ATOM 689 OE1 GLU A 578 12.722 -8.855 12.155 1.00 0.00 O ATOM 690 OE2 GLU A 578 13.989 -10.501 11.445 1.00 0.00 O ATOM 0 H GLU A 578 16.338 -7.891 15.934 1.00 0.00 H new ATOM 0 HA GLU A 578 13.956 -9.398 16.495 1.00 0.00 H new ATOM 0 HB2 GLU A 578 14.316 -8.181 14.368 1.00 0.00 H new ATOM 0 HB3 GLU A 578 15.709 -9.183 14.011 1.00 0.00 H new ATOM 0 HG2 GLU A 578 14.302 -11.191 13.849 1.00 0.00 H new ATOM 0 HG3 GLU A 578 12.895 -10.305 14.403 1.00 0.00 H new ATOM 697 N SER A 579 16.776 -11.086 15.963 1.00 0.00 N ATOM 698 CA SER A 579 17.469 -12.351 16.263 1.00 0.00 C ATOM 699 C SER A 579 17.848 -12.452 17.744 1.00 0.00 C ATOM 700 O SER A 579 17.838 -13.548 18.315 1.00 0.00 O ATOM 701 CB SER A 579 18.715 -12.453 15.376 1.00 0.00 C ATOM 702 OG SER A 579 19.338 -13.718 15.535 1.00 0.00 O ATOM 0 H SER A 579 17.371 -10.394 15.508 1.00 0.00 H new ATOM 0 HA SER A 579 16.795 -13.181 16.052 1.00 0.00 H new ATOM 0 HB2 SER A 579 18.438 -12.306 14.332 1.00 0.00 H new ATOM 0 HB3 SER A 579 19.418 -11.660 15.634 1.00 0.00 H new ATOM 0 HG SER A 579 20.131 -13.767 14.961 1.00 0.00 H new ATOM 708 N GLY A 580 18.143 -11.314 18.388 1.00 0.00 N ATOM 709 CA GLY A 580 18.644 -11.257 19.764 1.00 0.00 C ATOM 710 C GLY A 580 20.152 -11.505 19.841 1.00 0.00 C ATOM 711 O GLY A 580 20.653 -12.058 20.823 1.00 0.00 O ATOM 0 H GLY A 580 18.038 -10.395 17.959 1.00 0.00 H new ATOM 0 HA2 GLY A 580 18.416 -10.281 20.192 1.00 0.00 H new ATOM 0 HA3 GLY A 580 18.124 -12.000 20.369 1.00 0.00 H new ATOM 715 N GLU A 581 20.872 -11.138 18.782 1.00 0.00 N ATOM 716 CA GLU A 581 22.314 -11.340 18.593 1.00 0.00 C ATOM 717 C GLU A 581 22.985 -10.018 18.179 1.00 0.00 C ATOM 718 O GLU A 581 22.336 -8.974 18.160 1.00 0.00 O ATOM 719 CB GLU A 581 22.549 -12.452 17.543 1.00 0.00 C ATOM 720 CG GLU A 581 21.970 -13.833 17.909 1.00 0.00 C ATOM 721 CD GLU A 581 22.542 -14.456 19.206 1.00 0.00 C ATOM 722 OE1 GLU A 581 21.864 -15.322 19.822 1.00 0.00 O ATOM 723 OE2 GLU A 581 23.690 -14.133 19.606 1.00 0.00 O ATOM 0 H GLU A 581 20.444 -10.665 17.986 1.00 0.00 H new ATOM 0 HA GLU A 581 22.766 -11.659 19.532 1.00 0.00 H new ATOM 0 HB2 GLU A 581 22.114 -12.133 16.596 1.00 0.00 H new ATOM 0 HB3 GLU A 581 23.622 -12.557 17.382 1.00 0.00 H new ATOM 0 HG2 GLU A 581 20.889 -13.742 18.013 1.00 0.00 H new ATOM 0 HG3 GLU A 581 22.154 -14.519 17.082 1.00 0.00 H new ATOM 730 N TRP A 582 24.274 -10.029 17.846 1.00 0.00 N ATOM 731 CA TRP A 582 25.030 -8.847 17.409 1.00 0.00 C ATOM 732 C TRP A 582 25.552 -9.027 15.979 1.00 0.00 C ATOM 733 O TRP A 582 25.718 -10.156 15.512 1.00 0.00 O ATOM 734 CB TRP A 582 26.134 -8.568 18.438 1.00 0.00 C ATOM 735 CG TRP A 582 25.677 -8.146 19.809 1.00 0.00 C ATOM 736 CD1 TRP A 582 25.088 -8.947 20.729 1.00 0.00 C ATOM 737 CD2 TRP A 582 25.776 -6.834 20.452 1.00 0.00 C ATOM 738 NE1 TRP A 582 24.791 -8.231 21.867 1.00 0.00 N ATOM 739 CE2 TRP A 582 25.183 -6.915 21.751 1.00 0.00 C ATOM 740 CE3 TRP A 582 26.330 -5.586 20.079 1.00 0.00 C ATOM 741 CZ2 TRP A 582 25.101 -5.806 22.609 1.00 0.00 C ATOM 742 CZ3 TRP A 582 26.265 -4.472 20.938 1.00 0.00 C ATOM 743 CH2 TRP A 582 25.649 -4.576 22.200 1.00 0.00 C ATOM 0 H TRP A 582 24.839 -10.878 17.872 1.00 0.00 H new ATOM 0 HA TRP A 582 24.384 -7.970 17.368 1.00 0.00 H new ATOM 0 HB2 TRP A 582 26.740 -9.468 18.541 1.00 0.00 H new ATOM 0 HB3 TRP A 582 26.784 -7.789 18.039 1.00 0.00 H new ATOM 0 HD1 TRP A 582 24.881 -9.998 20.590 1.00 0.00 H new ATOM 0 HE1 TRP A 582 24.338 -8.625 22.692 1.00 0.00 H new ATOM 0 HE3 TRP A 582 26.812 -5.486 19.117 1.00 0.00 H new ATOM 0 HZ2 TRP A 582 24.622 -5.896 23.573 1.00 0.00 H new ATOM 0 HZ3 TRP A 582 26.691 -3.530 20.626 1.00 0.00 H new ATOM 0 HH2 TRP A 582 25.597 -3.716 22.851 1.00 0.00 H new ATOM 754 N VAL A 583 25.828 -7.931 15.267 1.00 0.00 N ATOM 755 CA VAL A 583 26.287 -7.913 13.862 1.00 0.00 C ATOM 756 C VAL A 583 27.408 -6.901 13.617 1.00 0.00 C ATOM 757 O VAL A 583 27.409 -5.795 14.145 1.00 0.00 O ATOM 758 CB VAL A 583 25.134 -7.668 12.864 1.00 0.00 C ATOM 759 CG1 VAL A 583 24.161 -8.850 12.806 1.00 0.00 C ATOM 760 CG2 VAL A 583 24.329 -6.387 13.117 1.00 0.00 C ATOM 0 H VAL A 583 25.737 -6.995 15.661 1.00 0.00 H new ATOM 0 HA VAL A 583 26.688 -8.911 13.684 1.00 0.00 H new ATOM 0 HB VAL A 583 25.645 -7.551 11.908 1.00 0.00 H new ATOM 0 HG11 VAL A 583 23.367 -8.633 12.091 1.00 0.00 H new ATOM 0 HG12 VAL A 583 24.696 -9.747 12.493 1.00 0.00 H new ATOM 0 HG13 VAL A 583 23.727 -9.013 13.792 1.00 0.00 H new ATOM 0 HG21 VAL A 583 23.542 -6.298 12.368 1.00 0.00 H new ATOM 0 HG22 VAL A 583 23.882 -6.428 14.110 1.00 0.00 H new ATOM 0 HG23 VAL A 583 24.990 -5.523 13.052 1.00 0.00 H new ATOM 770 N TRP A 584 28.381 -7.293 12.799 1.00 0.00 N ATOM 771 CA TRP A 584 29.485 -6.476 12.307 1.00 0.00 C ATOM 772 C TRP A 584 29.063 -5.825 10.986 1.00 0.00 C ATOM 773 O TRP A 584 28.958 -6.494 9.956 1.00 0.00 O ATOM 774 CB TRP A 584 30.717 -7.372 12.108 1.00 0.00 C ATOM 775 CG TRP A 584 31.669 -7.534 13.251 1.00 0.00 C ATOM 776 CD1 TRP A 584 32.230 -6.536 13.973 1.00 0.00 C ATOM 777 CD2 TRP A 584 32.253 -8.771 13.762 1.00 0.00 C ATOM 778 NE1 TRP A 584 33.031 -7.075 14.964 1.00 0.00 N ATOM 779 CE2 TRP A 584 33.099 -8.449 14.869 1.00 0.00 C ATOM 780 CE3 TRP A 584 32.117 -10.140 13.437 1.00 0.00 C ATOM 781 CZ2 TRP A 584 33.773 -9.433 15.615 1.00 0.00 C ATOM 782 CZ3 TRP A 584 32.788 -11.131 14.169 1.00 0.00 C ATOM 783 CH2 TRP A 584 33.611 -10.783 15.256 1.00 0.00 C ATOM 0 H TRP A 584 28.422 -8.247 12.441 1.00 0.00 H new ATOM 0 HA TRP A 584 29.736 -5.692 13.021 1.00 0.00 H new ATOM 0 HB2 TRP A 584 30.364 -8.364 11.826 1.00 0.00 H new ATOM 0 HB3 TRP A 584 31.279 -6.981 11.260 1.00 0.00 H new ATOM 0 HD1 TRP A 584 32.076 -5.481 13.802 1.00 0.00 H new ATOM 0 HE1 TRP A 584 33.511 -6.525 15.676 1.00 0.00 H new ATOM 0 HE3 TRP A 584 31.485 -10.428 12.610 1.00 0.00 H new ATOM 0 HZ2 TRP A 584 34.403 -9.157 16.448 1.00 0.00 H new ATOM 0 HZ3 TRP A 584 32.672 -12.169 13.896 1.00 0.00 H new ATOM 0 HH2 TRP A 584 34.119 -11.554 15.816 1.00 0.00 H new ATOM 794 N LYS A 585 28.774 -4.519 11.039 1.00 0.00 N ATOM 795 CA LYS A 585 28.307 -3.707 9.902 1.00 0.00 C ATOM 796 C LYS A 585 29.443 -3.452 8.895 1.00 0.00 C ATOM 797 O LYS A 585 30.586 -3.259 9.306 1.00 0.00 O ATOM 798 CB LYS A 585 27.730 -2.380 10.443 1.00 0.00 C ATOM 799 CG LYS A 585 26.627 -2.540 11.513 1.00 0.00 C ATOM 800 CD LYS A 585 25.298 -3.118 11.000 1.00 0.00 C ATOM 801 CE LYS A 585 24.550 -2.088 10.144 1.00 0.00 C ATOM 802 NZ LYS A 585 23.219 -2.588 9.705 1.00 0.00 N ATOM 0 H LYS A 585 28.860 -3.979 11.900 1.00 0.00 H new ATOM 0 HA LYS A 585 27.527 -4.249 9.367 1.00 0.00 H new ATOM 0 HB2 LYS A 585 28.544 -1.792 10.866 1.00 0.00 H new ATOM 0 HB3 LYS A 585 27.326 -1.809 9.607 1.00 0.00 H new ATOM 0 HG2 LYS A 585 27.004 -3.185 12.307 1.00 0.00 H new ATOM 0 HG3 LYS A 585 26.433 -1.565 11.960 1.00 0.00 H new ATOM 0 HD2 LYS A 585 25.490 -4.016 10.412 1.00 0.00 H new ATOM 0 HD3 LYS A 585 24.676 -3.416 11.844 1.00 0.00 H new ATOM 0 HE2 LYS A 585 24.421 -1.168 10.714 1.00 0.00 H new ATOM 0 HE3 LYS A 585 25.150 -1.840 9.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 585 22.748 -1.861 9.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 585 23.342 -3.452 9.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 585 22.636 -2.801 10.539 1.00 0.00 H new ATOM 816 N ASN A 586 29.145 -3.452 7.591 1.00 0.00 N ATOM 817 CA ASN A 586 30.107 -3.284 6.493 1.00 0.00 C ATOM 818 C ASN A 586 31.328 -4.239 6.588 1.00 0.00 C ATOM 819 O ASN A 586 32.457 -3.828 6.327 1.00 0.00 O ATOM 820 CB ASN A 586 30.469 -1.789 6.351 1.00 0.00 C ATOM 821 CG ASN A 586 31.285 -1.468 5.102 1.00 0.00 C ATOM 822 OD1 ASN A 586 31.298 -2.193 4.118 1.00 0.00 O ATOM 823 ND2 ASN A 586 32.007 -0.372 5.099 1.00 0.00 N ATOM 0 H ASN A 586 28.189 -3.574 7.257 1.00 0.00 H new ATOM 0 HA ASN A 586 29.632 -3.594 5.562 1.00 0.00 H new ATOM 0 HB2 ASN A 586 29.550 -1.203 6.334 1.00 0.00 H new ATOM 0 HB3 ASN A 586 31.031 -1.476 7.231 1.00 0.00 H new ATOM 0 HD21 ASN A 586 32.570 -0.134 4.282 1.00 0.00 H new ATOM 0 HD22 ASN A 586 32.005 0.242 5.913 1.00 0.00 H new ATOM 830 N THR A 587 31.138 -5.500 6.988 1.00 0.00 N ATOM 831 CA THR A 587 32.231 -6.449 7.304 1.00 0.00 C ATOM 832 C THR A 587 32.153 -7.743 6.489 1.00 0.00 C ATOM 833 O THR A 587 31.070 -8.201 6.130 1.00 0.00 O ATOM 834 CB THR A 587 32.265 -6.757 8.807 1.00 0.00 C ATOM 835 OG1 THR A 587 32.458 -5.555 9.521 1.00 0.00 O ATOM 836 CG2 THR A 587 33.402 -7.685 9.253 1.00 0.00 C ATOM 0 H THR A 587 30.209 -5.905 7.106 1.00 0.00 H new ATOM 0 HA THR A 587 33.161 -5.957 7.020 1.00 0.00 H new ATOM 0 HB THR A 587 31.316 -7.253 9.010 1.00 0.00 H new ATOM 0 HG1 THR A 587 31.694 -4.960 9.372 1.00 0.00 H new ATOM 0 HG21 THR A 587 33.342 -7.843 10.330 1.00 0.00 H new ATOM 0 HG22 THR A 587 33.312 -8.643 8.740 1.00 0.00 H new ATOM 0 HG23 THR A 587 34.361 -7.230 9.006 1.00 0.00 H new ATOM 844 N ILE A 588 33.320 -8.332 6.221 1.00 0.00 N ATOM 845 CA ILE A 588 33.537 -9.582 5.485 1.00 0.00 C ATOM 846 C ILE A 588 34.675 -10.400 6.127 1.00 0.00 C ATOM 847 O ILE A 588 35.721 -9.860 6.497 1.00 0.00 O ATOM 848 CB ILE A 588 33.769 -9.285 3.980 1.00 0.00 C ATOM 849 CG1 ILE A 588 34.136 -10.562 3.204 1.00 0.00 C ATOM 850 CG2 ILE A 588 34.865 -8.236 3.732 1.00 0.00 C ATOM 851 CD1 ILE A 588 34.051 -10.418 1.678 1.00 0.00 C ATOM 0 H ILE A 588 34.200 -7.921 6.533 1.00 0.00 H new ATOM 0 HA ILE A 588 32.643 -10.202 5.548 1.00 0.00 H new ATOM 0 HB ILE A 588 32.821 -8.884 3.620 1.00 0.00 H new ATOM 0 HG12 ILE A 588 35.150 -10.859 3.474 1.00 0.00 H new ATOM 0 HG13 ILE A 588 33.473 -11.368 3.519 1.00 0.00 H new ATOM 0 HG21 ILE A 588 34.978 -8.074 2.660 1.00 0.00 H new ATOM 0 HG22 ILE A 588 34.587 -7.298 4.213 1.00 0.00 H new ATOM 0 HG23 ILE A 588 35.809 -8.591 4.147 1.00 0.00 H new ATOM 0 HD11 ILE A 588 34.325 -11.362 1.208 1.00 0.00 H new ATOM 0 HD12 ILE A 588 33.033 -10.153 1.394 1.00 0.00 H new ATOM 0 HD13 ILE A 588 34.735 -9.636 1.348 1.00 0.00 H new ATOM 863 N GLU A 589 34.474 -11.714 6.245 1.00 0.00 N ATOM 864 CA GLU A 589 35.496 -12.698 6.624 1.00 0.00 C ATOM 865 C GLU A 589 35.897 -13.529 5.392 1.00 0.00 C ATOM 866 O GLU A 589 35.033 -13.956 4.615 1.00 0.00 O ATOM 867 CB GLU A 589 34.949 -13.588 7.755 1.00 0.00 C ATOM 868 CG GLU A 589 36.011 -14.569 8.292 1.00 0.00 C ATOM 869 CD GLU A 589 35.471 -15.615 9.299 1.00 0.00 C ATOM 870 OE1 GLU A 589 34.236 -15.728 9.509 1.00 0.00 O ATOM 871 OE2 GLU A 589 36.293 -16.387 9.856 1.00 0.00 O ATOM 0 H GLU A 589 33.563 -12.140 6.074 1.00 0.00 H new ATOM 0 HA GLU A 589 36.389 -12.192 6.990 1.00 0.00 H new ATOM 0 HB2 GLU A 589 34.594 -12.958 8.571 1.00 0.00 H new ATOM 0 HB3 GLU A 589 34.090 -14.150 7.389 1.00 0.00 H new ATOM 0 HG2 GLU A 589 36.461 -15.094 7.449 1.00 0.00 H new ATOM 0 HG3 GLU A 589 36.805 -13.997 8.773 1.00 0.00 H new ATOM 878 N VAL A 590 37.196 -13.780 5.211 1.00 0.00 N ATOM 879 CA VAL A 590 37.752 -14.572 4.101 1.00 0.00 C ATOM 880 C VAL A 590 39.061 -15.245 4.515 1.00 0.00 C ATOM 881 O VAL A 590 40.008 -14.600 4.964 1.00 0.00 O ATOM 882 CB VAL A 590 37.860 -13.720 2.817 1.00 0.00 C ATOM 883 CG1 VAL A 590 38.699 -12.447 2.984 1.00 0.00 C ATOM 884 CG2 VAL A 590 38.407 -14.525 1.640 1.00 0.00 C ATOM 0 H VAL A 590 37.913 -13.431 5.847 1.00 0.00 H new ATOM 0 HA VAL A 590 37.066 -15.384 3.859 1.00 0.00 H new ATOM 0 HB VAL A 590 36.835 -13.415 2.609 1.00 0.00 H new ATOM 0 HG11 VAL A 590 38.727 -11.903 2.040 1.00 0.00 H new ATOM 0 HG12 VAL A 590 38.253 -11.816 3.753 1.00 0.00 H new ATOM 0 HG13 VAL A 590 39.713 -12.716 3.278 1.00 0.00 H new ATOM 0 HG21 VAL A 590 38.466 -13.886 0.759 1.00 0.00 H new ATOM 0 HG22 VAL A 590 39.401 -14.898 1.885 1.00 0.00 H new ATOM 0 HG23 VAL A 590 37.744 -15.366 1.435 1.00 0.00 H new ATOM 894 N ASN A 591 39.087 -16.574 4.385 1.00 0.00 N ATOM 895 CA ASN A 591 40.250 -17.435 4.602 1.00 0.00 C ATOM 896 C ASN A 591 40.994 -17.170 5.936 1.00 0.00 C ATOM 897 O ASN A 591 42.229 -17.143 5.983 1.00 0.00 O ATOM 898 CB ASN A 591 41.139 -17.392 3.344 1.00 0.00 C ATOM 899 CG ASN A 591 40.481 -17.968 2.101 1.00 0.00 C ATOM 900 OD1 ASN A 591 40.217 -17.274 1.130 1.00 0.00 O ATOM 901 ND2 ASN A 591 40.191 -19.251 2.082 1.00 0.00 N ATOM 0 H ASN A 591 38.258 -17.103 4.113 1.00 0.00 H new ATOM 0 HA ASN A 591 39.909 -18.461 4.738 1.00 0.00 H new ATOM 0 HB2 ASN A 591 41.422 -16.358 3.147 1.00 0.00 H new ATOM 0 HB3 ASN A 591 42.059 -17.941 3.543 1.00 0.00 H new ATOM 0 HD21 ASN A 591 39.748 -19.662 1.260 1.00 0.00 H new ATOM 0 HD22 ASN A 591 40.409 -19.835 2.889 1.00 0.00 H new ATOM 908 N GLY A 592 40.242 -16.948 7.022 1.00 0.00 N ATOM 909 CA GLY A 592 40.772 -16.690 8.372 1.00 0.00 C ATOM 910 C GLY A 592 41.122 -15.229 8.692 1.00 0.00 C ATOM 911 O GLY A 592 41.593 -14.954 9.799 1.00 0.00 O ATOM 0 H GLY A 592 39.223 -16.942 6.988 1.00 0.00 H new ATOM 0 HA2 GLY A 592 40.038 -17.035 9.100 1.00 0.00 H new ATOM 0 HA3 GLY A 592 41.667 -17.296 8.511 1.00 0.00 H new ATOM 915 N LYS A 593 40.903 -14.292 7.758 1.00 0.00 N ATOM 916 CA LYS A 593 41.133 -12.843 7.922 1.00 0.00 C ATOM 917 C LYS A 593 39.827 -12.045 7.864 1.00 0.00 C ATOM 918 O LYS A 593 38.858 -12.458 7.222 1.00 0.00 O ATOM 919 CB LYS A 593 42.127 -12.352 6.855 1.00 0.00 C ATOM 920 CG LYS A 593 43.544 -12.914 7.047 1.00 0.00 C ATOM 921 CD LYS A 593 44.502 -12.359 5.982 1.00 0.00 C ATOM 922 CE LYS A 593 45.904 -12.952 6.174 1.00 0.00 C ATOM 923 NZ LYS A 593 46.867 -12.442 5.158 1.00 0.00 N ATOM 0 H LYS A 593 40.547 -14.528 6.832 1.00 0.00 H new ATOM 0 HA LYS A 593 41.559 -12.677 8.912 1.00 0.00 H new ATOM 0 HB2 LYS A 593 41.761 -12.635 5.868 1.00 0.00 H new ATOM 0 HB3 LYS A 593 42.168 -11.263 6.879 1.00 0.00 H new ATOM 0 HG2 LYS A 593 43.910 -12.657 8.041 1.00 0.00 H new ATOM 0 HG3 LYS A 593 43.519 -14.002 6.988 1.00 0.00 H new ATOM 0 HD2 LYS A 593 44.130 -12.600 4.986 1.00 0.00 H new ATOM 0 HD3 LYS A 593 44.546 -11.272 6.052 1.00 0.00 H new ATOM 0 HE2 LYS A 593 46.267 -12.709 7.173 1.00 0.00 H new ATOM 0 HE3 LYS A 593 45.850 -14.039 6.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 593 47.802 -12.866 5.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 593 46.534 -12.696 4.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 593 46.938 -11.407 5.236 1.00 0.00 H new ATOM 937 N TYR A 594 39.818 -10.885 8.523 1.00 0.00 N ATOM 938 CA TYR A 594 38.693 -9.942 8.563 1.00 0.00 C ATOM 939 C TYR A 594 39.014 -8.639 7.832 1.00 0.00 C ATOM 940 O TYR A 594 40.143 -8.144 7.883 1.00 0.00 O ATOM 941 CB TYR A 594 38.290 -9.645 10.010 1.00 0.00 C ATOM 942 CG TYR A 594 37.420 -10.725 10.622 1.00 0.00 C ATOM 943 CD1 TYR A 594 38.006 -11.874 11.188 1.00 0.00 C ATOM 944 CD2 TYR A 594 36.018 -10.582 10.591 1.00 0.00 C ATOM 945 CE1 TYR A 594 37.184 -12.883 11.726 1.00 0.00 C ATOM 946 CE2 TYR A 594 35.199 -11.584 11.138 1.00 0.00 C ATOM 947 CZ TYR A 594 35.780 -12.735 11.716 1.00 0.00 C ATOM 948 OH TYR A 594 34.992 -13.706 12.259 1.00 0.00 O ATOM 0 H TYR A 594 40.621 -10.563 9.063 1.00 0.00 H new ATOM 0 HA TYR A 594 37.857 -10.416 8.048 1.00 0.00 H new ATOM 0 HB2 TYR A 594 39.190 -9.527 10.614 1.00 0.00 H new ATOM 0 HB3 TYR A 594 37.756 -8.695 10.044 1.00 0.00 H new ATOM 0 HD1 TYR A 594 39.081 -11.981 11.209 1.00 0.00 H new ATOM 0 HD2 TYR A 594 35.574 -9.703 10.147 1.00 0.00 H new ATOM 0 HE1 TYR A 594 37.629 -13.772 12.147 1.00 0.00 H new ATOM 0 HE2 TYR A 594 34.125 -11.474 11.117 1.00 0.00 H new ATOM 0 HH TYR A 594 34.050 -13.450 12.172 1.00 0.00 H new ATOM 958 N PHE A 595 37.990 -8.075 7.191 1.00 0.00 N ATOM 959 CA PHE A 595 38.072 -6.867 6.372 1.00 0.00 C ATOM 960 C PHE A 595 36.733 -6.112 6.344 1.00 0.00 C ATOM 961 O PHE A 595 35.675 -6.655 6.677 1.00 0.00 O ATOM 962 CB PHE A 595 38.436 -7.270 4.932 1.00 0.00 C ATOM 963 CG PHE A 595 39.774 -7.935 4.690 1.00 0.00 C ATOM 964 CD1 PHE A 595 39.863 -9.337 4.640 1.00 0.00 C ATOM 965 CD2 PHE A 595 40.912 -7.154 4.418 1.00 0.00 C ATOM 966 CE1 PHE A 595 41.081 -9.958 4.307 1.00 0.00 C ATOM 967 CE2 PHE A 595 42.127 -7.774 4.070 1.00 0.00 C ATOM 968 CZ PHE A 595 42.212 -9.174 4.023 1.00 0.00 C ATOM 0 H PHE A 595 37.047 -8.461 7.230 1.00 0.00 H new ATOM 0 HA PHE A 595 38.829 -6.212 6.804 1.00 0.00 H new ATOM 0 HB2 PHE A 595 37.660 -7.943 4.569 1.00 0.00 H new ATOM 0 HB3 PHE A 595 38.394 -6.373 4.315 1.00 0.00 H new ATOM 0 HD1 PHE A 595 38.994 -9.940 4.858 1.00 0.00 H new ATOM 0 HD2 PHE A 595 40.853 -6.077 4.476 1.00 0.00 H new ATOM 0 HE1 PHE A 595 41.146 -11.035 4.270 1.00 0.00 H new ATOM 0 HE2 PHE A 595 42.994 -7.172 3.839 1.00 0.00 H new ATOM 0 HZ PHE A 595 43.148 -9.649 3.768 1.00 0.00 H new ATOM 978 N HIS A 596 36.761 -4.854 5.899 1.00 0.00 N ATOM 979 CA HIS A 596 35.546 -4.109 5.543 1.00 0.00 C ATOM 980 C HIS A 596 35.078 -4.575 4.160 1.00 0.00 C ATOM 981 O HIS A 596 35.913 -4.829 3.289 1.00 0.00 O ATOM 982 CB HIS A 596 35.827 -2.608 5.467 1.00 0.00 C ATOM 983 CG HIS A 596 35.945 -1.871 6.765 1.00 0.00 C ATOM 984 ND1 HIS A 596 37.056 -1.094 7.065 1.00 0.00 N ATOM 985 CD2 HIS A 596 35.021 -1.764 7.762 1.00 0.00 C ATOM 986 CE1 HIS A 596 36.790 -0.525 8.255 1.00 0.00 C ATOM 987 NE2 HIS A 596 35.574 -0.911 8.695 1.00 0.00 N ATOM 0 H HIS A 596 37.622 -4.322 5.775 1.00 0.00 H new ATOM 0 HA HIS A 596 34.788 -4.292 6.305 1.00 0.00 H new ATOM 0 HB2 HIS A 596 36.753 -2.465 4.911 1.00 0.00 H new ATOM 0 HB3 HIS A 596 35.031 -2.144 4.885 1.00 0.00 H new ATOM 0 HD2 HIS A 596 34.056 -2.247 7.811 1.00 0.00 H new ATOM 0 HE1 HIS A 596 37.454 0.144 8.782 1.00 0.00 H new ATOM 0 HE2 HIS A 596 35.137 -0.621 9.570 1.00 0.00 H new ATOM 995 N SER A 597 33.767 -4.643 3.923 1.00 0.00 N ATOM 996 CA SER A 597 33.222 -5.042 2.620 1.00 0.00 C ATOM 997 C SER A 597 33.598 -4.033 1.523 1.00 0.00 C ATOM 998 O SER A 597 34.101 -4.422 0.468 1.00 0.00 O ATOM 999 CB SER A 597 31.704 -5.240 2.723 1.00 0.00 C ATOM 1000 OG SER A 597 31.179 -5.815 1.544 1.00 0.00 O ATOM 0 H SER A 597 33.056 -4.425 4.621 1.00 0.00 H new ATOM 0 HA SER A 597 33.667 -5.995 2.332 1.00 0.00 H new ATOM 0 HB2 SER A 597 31.476 -5.880 3.575 1.00 0.00 H new ATOM 0 HB3 SER A 597 31.222 -4.280 2.908 1.00 0.00 H new ATOM 0 HG SER A 597 30.354 -5.350 1.292 1.00 0.00 H new ATOM 1006 N THR A 598 33.467 -2.726 1.800 1.00 0.00 N ATOM 1007 CA THR A 598 33.881 -1.641 0.884 1.00 0.00 C ATOM 1008 C THR A 598 35.392 -1.595 0.612 1.00 0.00 C ATOM 1009 O THR A 598 35.797 -1.303 -0.515 1.00 0.00 O ATOM 1010 CB THR A 598 33.429 -0.265 1.414 1.00 0.00 C ATOM 1011 OG1 THR A 598 33.789 -0.095 2.772 1.00 0.00 O ATOM 1012 CG2 THR A 598 31.917 -0.070 1.313 1.00 0.00 C ATOM 0 H THR A 598 33.067 -2.385 2.674 1.00 0.00 H new ATOM 0 HA THR A 598 33.387 -1.868 -0.061 1.00 0.00 H new ATOM 0 HB THR A 598 33.933 0.470 0.787 1.00 0.00 H new ATOM 0 HG1 THR A 598 33.668 0.843 3.027 1.00 0.00 H new ATOM 0 HG21 THR A 598 31.650 0.914 1.699 1.00 0.00 H new ATOM 0 HG22 THR A 598 31.609 -0.146 0.270 1.00 0.00 H new ATOM 0 HG23 THR A 598 31.411 -0.838 1.898 1.00 0.00 H new ATOM 1020 N CYS A 599 36.233 -1.923 1.600 1.00 0.00 N ATOM 1021 CA CYS A 599 37.686 -1.995 1.443 1.00 0.00 C ATOM 1022 C CYS A 599 38.097 -3.220 0.595 1.00 0.00 C ATOM 1023 O CYS A 599 38.783 -3.078 -0.418 1.00 0.00 O ATOM 1024 CB CYS A 599 38.343 -1.996 2.833 1.00 0.00 C ATOM 1025 SG CYS A 599 38.112 -0.407 3.700 1.00 0.00 S ATOM 0 H CYS A 599 35.917 -2.149 2.543 1.00 0.00 H new ATOM 0 HA CYS A 599 38.039 -1.119 0.898 1.00 0.00 H new ATOM 0 HB2 CYS A 599 37.920 -2.801 3.433 1.00 0.00 H new ATOM 0 HB3 CYS A 599 39.409 -2.201 2.730 1.00 0.00 H new ATOM 0 HG CYS A 599 37.830 -0.631 4.949 1.00 0.00 H new ATOM 1030 N TYR A 600 37.661 -4.420 0.996 1.00 0.00 N ATOM 1031 CA TYR A 600 37.986 -5.673 0.307 1.00 0.00 C ATOM 1032 C TYR A 600 37.477 -5.699 -1.144 1.00 0.00 C ATOM 1033 O TYR A 600 38.179 -6.190 -2.023 1.00 0.00 O ATOM 1034 CB TYR A 600 37.448 -6.859 1.116 1.00 0.00 C ATOM 1035 CG TYR A 600 37.872 -8.205 0.557 1.00 0.00 C ATOM 1036 CD1 TYR A 600 39.164 -8.703 0.824 1.00 0.00 C ATOM 1037 CD2 TYR A 600 36.994 -8.939 -0.264 1.00 0.00 C ATOM 1038 CE1 TYR A 600 39.585 -9.923 0.258 1.00 0.00 C ATOM 1039 CE2 TYR A 600 37.406 -10.164 -0.825 1.00 0.00 C ATOM 1040 CZ TYR A 600 38.709 -10.655 -0.575 1.00 0.00 C ATOM 1041 OH TYR A 600 39.126 -11.831 -1.125 1.00 0.00 O ATOM 0 H TYR A 600 37.067 -4.549 1.815 1.00 0.00 H new ATOM 0 HA TYR A 600 39.071 -5.750 0.242 1.00 0.00 H new ATOM 0 HB2 TYR A 600 37.795 -6.775 2.146 1.00 0.00 H new ATOM 0 HB3 TYR A 600 36.359 -6.810 1.141 1.00 0.00 H new ATOM 0 HD1 TYR A 600 39.833 -8.148 1.464 1.00 0.00 H new ATOM 0 HD2 TYR A 600 36.002 -8.562 -0.464 1.00 0.00 H new ATOM 0 HE1 TYR A 600 40.577 -10.299 0.461 1.00 0.00 H new ATOM 0 HE2 TYR A 600 36.727 -10.729 -1.446 1.00 0.00 H new ATOM 0 HH TYR A 600 38.406 -12.211 -1.670 1.00 0.00 H new ATOM 1051 N HIS A 601 36.318 -5.094 -1.439 1.00 0.00 N ATOM 1052 CA HIS A 601 35.774 -4.990 -2.803 1.00 0.00 C ATOM 1053 C HIS A 601 36.744 -4.330 -3.805 1.00 0.00 C ATOM 1054 O HIS A 601 36.770 -4.702 -4.977 1.00 0.00 O ATOM 1055 CB HIS A 601 34.439 -4.228 -2.736 1.00 0.00 C ATOM 1056 CG HIS A 601 33.805 -3.958 -4.080 1.00 0.00 C ATOM 1057 ND1 HIS A 601 33.262 -4.921 -4.940 1.00 0.00 N ATOM 1058 CD2 HIS A 601 33.659 -2.725 -4.649 1.00 0.00 C ATOM 1059 CE1 HIS A 601 32.803 -4.245 -6.008 1.00 0.00 C ATOM 1060 NE2 HIS A 601 33.026 -2.926 -5.857 1.00 0.00 N ATOM 0 H HIS A 601 35.725 -4.659 -0.732 1.00 0.00 H new ATOM 0 HA HIS A 601 35.619 -6.000 -3.183 1.00 0.00 H new ATOM 0 HB2 HIS A 601 33.739 -4.799 -2.126 1.00 0.00 H new ATOM 0 HB3 HIS A 601 34.602 -3.278 -2.228 1.00 0.00 H new ATOM 0 HD2 HIS A 601 33.977 -1.780 -4.235 1.00 0.00 H new ATOM 0 HE1 HIS A 601 32.324 -4.696 -6.865 1.00 0.00 H new ATOM 0 HE2 HIS A 601 32.770 -2.198 -6.524 1.00 0.00 H new ATOM 1068 N GLU A 602 37.585 -3.390 -3.357 1.00 0.00 N ATOM 1069 CA GLU A 602 38.637 -2.766 -4.180 1.00 0.00 C ATOM 1070 C GLU A 602 39.838 -3.703 -4.456 1.00 0.00 C ATOM 1071 O GLU A 602 40.524 -3.542 -5.469 1.00 0.00 O ATOM 1072 CB GLU A 602 39.071 -1.454 -3.498 1.00 0.00 C ATOM 1073 CG GLU A 602 40.070 -0.630 -4.326 1.00 0.00 C ATOM 1074 CD GLU A 602 40.294 0.782 -3.750 1.00 0.00 C ATOM 1075 OE1 GLU A 602 41.448 1.109 -3.377 1.00 0.00 O ATOM 1076 OE2 GLU A 602 39.336 1.595 -3.701 1.00 0.00 O ATOM 0 H GLU A 602 37.557 -3.035 -2.401 1.00 0.00 H new ATOM 0 HA GLU A 602 38.225 -2.554 -5.166 1.00 0.00 H new ATOM 0 HB2 GLU A 602 38.187 -0.847 -3.302 1.00 0.00 H new ATOM 0 HB3 GLU A 602 39.518 -1.687 -2.532 1.00 0.00 H new ATOM 0 HG2 GLU A 602 41.023 -1.157 -4.368 1.00 0.00 H new ATOM 0 HG3 GLU A 602 39.706 -0.547 -5.350 1.00 0.00 H new ATOM 1083 N THR A 603 40.088 -4.692 -3.589 1.00 0.00 N ATOM 1084 CA THR A 603 41.246 -5.614 -3.650 1.00 0.00 C ATOM 1085 C THR A 603 40.899 -7.042 -4.105 1.00 0.00 C ATOM 1086 O THR A 603 41.802 -7.875 -4.227 1.00 0.00 O ATOM 1087 CB THR A 603 42.013 -5.635 -2.314 1.00 0.00 C ATOM 1088 OG1 THR A 603 41.243 -6.206 -1.279 1.00 0.00 O ATOM 1089 CG2 THR A 603 42.432 -4.236 -1.853 1.00 0.00 C ATOM 0 H THR A 603 39.474 -4.885 -2.797 1.00 0.00 H new ATOM 0 HA THR A 603 41.893 -5.208 -4.428 1.00 0.00 H new ATOM 0 HB THR A 603 42.901 -6.237 -2.507 1.00 0.00 H new ATOM 0 HG1 THR A 603 40.296 -6.190 -1.529 1.00 0.00 H new ATOM 0 HG21 THR A 603 42.969 -4.310 -0.907 1.00 0.00 H new ATOM 0 HG22 THR A 603 43.081 -3.785 -2.604 1.00 0.00 H new ATOM 0 HG23 THR A 603 41.545 -3.616 -1.720 1.00 0.00 H new