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 586 ASN : amide:sc= 0.543 K(o=1.2,f=-5.1!) USER MOD Set 1.2: A 598 THR OG1 : rot 176:sc= 0.7 USER MOD Set 2.1: A 564 CYS SG : rot 153:sc= 0.483 USER MOD Set 2.2: A 567 CYS SG : rot -58:sc= -0.505 USER MOD Set 2.3: A 596 HIS : no HD1:sc= 0.445 K(o=-0.087,f=-2.6) USER MOD Set 2.4: A 599 CYS SG : rot 144:sc= -0.511 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 -51:sc= 0.267 USER MOD Single : A 558 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 560 MET CE :methyl 155:sc= -0.015 (180deg=-0.523) USER MOD Single : A 563 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0341) USER MOD Single : A 568 LYS NZ :NH3+ 159:sc= 1.23 (180deg=0.891) USER MOD Single : A 570 THR OG1 : rot 180:sc= 0 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 61:sc= 0.374 USER MOD Single : A 591 ASN : amide:sc= -0.0387 K(o=-0.039,f=-0.81) 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 -150:sc= 0 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 87:sc= 0.191 USER MOD ----------------------------------------------------------------- ATOM 184 N ILE A 546 26.783 -3.119 -0.866 1.00 0.00 N ATOM 185 CA ILE A 546 28.025 -3.717 -0.334 1.00 0.00 C ATOM 186 C ILE A 546 28.185 -3.424 1.170 1.00 0.00 C ATOM 187 O ILE A 546 28.502 -4.323 1.953 1.00 0.00 O ATOM 188 CB ILE A 546 29.240 -3.179 -1.133 1.00 0.00 C ATOM 189 CG1 ILE A 546 29.277 -3.690 -2.595 1.00 0.00 C ATOM 190 CG2 ILE A 546 30.583 -3.471 -0.440 1.00 0.00 C ATOM 191 CD1 ILE A 546 29.885 -5.082 -2.793 1.00 0.00 C ATOM 0 HA ILE A 546 27.971 -4.799 -0.450 1.00 0.00 H new ATOM 0 HB ILE A 546 29.099 -2.098 -1.160 1.00 0.00 H new ATOM 0 HG12 ILE A 546 28.259 -3.699 -2.984 1.00 0.00 H new ATOM 0 HG13 ILE A 546 29.842 -2.977 -3.196 1.00 0.00 H new ATOM 0 HG21 ILE A 546 31.398 -3.072 -1.044 1.00 0.00 H new ATOM 0 HG22 ILE A 546 30.595 -3.000 0.543 1.00 0.00 H new ATOM 0 HG23 ILE A 546 30.708 -4.548 -0.328 1.00 0.00 H new ATOM 0 HD11 ILE A 546 29.862 -5.342 -3.851 1.00 0.00 H new ATOM 0 HD12 ILE A 546 30.917 -5.082 -2.442 1.00 0.00 H new ATOM 0 HD13 ILE A 546 29.310 -5.814 -2.227 1.00 0.00 H new ATOM 203 N ARG A 547 27.889 -2.186 1.590 1.00 0.00 N ATOM 204 CA ARG A 547 27.916 -1.737 2.994 1.00 0.00 C ATOM 205 C ARG A 547 26.885 -2.435 3.898 1.00 0.00 C ATOM 206 O ARG A 547 27.062 -2.467 5.116 1.00 0.00 O ATOM 207 CB ARG A 547 27.737 -0.206 3.050 1.00 0.00 C ATOM 208 CG ARG A 547 26.367 0.234 2.513 1.00 0.00 C ATOM 209 CD ARG A 547 26.178 1.749 2.548 1.00 0.00 C ATOM 210 NE ARG A 547 24.848 2.103 2.012 1.00 0.00 N ATOM 211 CZ ARG A 547 24.254 3.278 2.034 1.00 0.00 C ATOM 212 NH1 ARG A 547 24.808 4.329 2.567 1.00 0.00 N ATOM 213 NH2 ARG A 547 23.072 3.412 1.498 1.00 0.00 N ATOM 0 H ARG A 547 27.616 -1.445 0.944 1.00 0.00 H new ATOM 0 HA ARG A 547 28.890 -2.021 3.392 1.00 0.00 H new ATOM 0 HB2 ARG A 547 27.849 0.135 4.079 1.00 0.00 H new ATOM 0 HB3 ARG A 547 28.525 0.272 2.468 1.00 0.00 H new ATOM 0 HG2 ARG A 547 26.253 -0.118 1.488 1.00 0.00 H new ATOM 0 HG3 ARG A 547 25.582 -0.240 3.102 1.00 0.00 H new ATOM 0 HD2 ARG A 547 26.276 2.113 3.571 1.00 0.00 H new ATOM 0 HD3 ARG A 547 26.957 2.235 1.961 1.00 0.00 H new ATOM 0 HE ARG A 547 24.326 1.345 1.571 1.00 0.00 H new ATOM 0 HH11 ARG A 547 25.735 4.259 2.987 1.00 0.00 H new ATOM 0 HH12 ARG A 547 24.315 5.222 2.564 1.00 0.00 H new ATOM 0 HH21 ARG A 547 22.614 2.610 1.066 1.00 0.00 H new ATOM 0 HH22 ARG A 547 22.606 4.319 1.511 1.00 0.00 H new ATOM 227 N GLY A 548 25.816 -2.977 3.311 1.00 0.00 N ATOM 228 CA GLY A 548 24.706 -3.637 4.002 1.00 0.00 C ATOM 229 C GLY A 548 24.980 -5.092 4.398 1.00 0.00 C ATOM 230 O GLY A 548 24.184 -5.676 5.135 1.00 0.00 O ATOM 0 H GLY A 548 25.695 -2.968 2.298 1.00 0.00 H new ATOM 0 HA2 GLY A 548 24.464 -3.069 4.900 1.00 0.00 H new ATOM 0 HA3 GLY A 548 23.826 -3.608 3.360 1.00 0.00 H new ATOM 234 N LYS A 549 26.086 -5.681 3.928 1.00 0.00 N ATOM 235 CA LYS A 549 26.539 -7.021 4.343 1.00 0.00 C ATOM 236 C LYS A 549 27.048 -6.997 5.792 1.00 0.00 C ATOM 237 O LYS A 549 27.685 -6.030 6.214 1.00 0.00 O ATOM 238 CB LYS A 549 27.625 -7.547 3.382 1.00 0.00 C ATOM 239 CG LYS A 549 27.216 -7.600 1.900 1.00 0.00 C ATOM 240 CD LYS A 549 25.959 -8.452 1.632 1.00 0.00 C ATOM 241 CE LYS A 549 25.681 -8.454 0.120 1.00 0.00 C ATOM 242 NZ LYS A 549 24.447 -9.211 -0.214 1.00 0.00 N ATOM 0 H LYS A 549 26.699 -5.240 3.243 1.00 0.00 H new ATOM 0 HA LYS A 549 25.689 -7.702 4.298 1.00 0.00 H new ATOM 0 HB2 LYS A 549 28.508 -6.915 3.477 1.00 0.00 H new ATOM 0 HB3 LYS A 549 27.914 -8.549 3.699 1.00 0.00 H new ATOM 0 HG2 LYS A 549 27.038 -6.585 1.545 1.00 0.00 H new ATOM 0 HG3 LYS A 549 28.046 -8.000 1.318 1.00 0.00 H new ATOM 0 HD2 LYS A 549 26.109 -9.470 1.990 1.00 0.00 H new ATOM 0 HD3 LYS A 549 25.104 -8.046 2.173 1.00 0.00 H new ATOM 0 HE2 LYS A 549 25.584 -7.427 -0.233 1.00 0.00 H new ATOM 0 HE3 LYS A 549 26.530 -8.893 -0.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 549 24.294 -9.189 -1.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 549 24.549 -10.197 0.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 549 23.633 -8.777 0.266 1.00 0.00 H new ATOM 256 N TYR A 550 26.795 -8.068 6.540 1.00 0.00 N ATOM 257 CA TYR A 550 27.253 -8.231 7.926 1.00 0.00 C ATOM 258 C TYR A 550 27.457 -9.698 8.307 1.00 0.00 C ATOM 259 O TYR A 550 26.986 -10.617 7.632 1.00 0.00 O ATOM 260 CB TYR A 550 26.277 -7.547 8.907 1.00 0.00 C ATOM 261 CG TYR A 550 24.842 -8.047 8.866 1.00 0.00 C ATOM 262 CD1 TYR A 550 23.876 -7.340 8.131 1.00 0.00 C ATOM 263 CD2 TYR A 550 24.474 -9.212 9.567 1.00 0.00 C ATOM 264 CE1 TYR A 550 22.545 -7.796 8.077 1.00 0.00 C ATOM 265 CE2 TYR A 550 23.141 -9.672 9.520 1.00 0.00 C ATOM 266 CZ TYR A 550 22.174 -8.966 8.771 1.00 0.00 C ATOM 267 OH TYR A 550 20.885 -9.413 8.720 1.00 0.00 O ATOM 0 H TYR A 550 26.257 -8.864 6.198 1.00 0.00 H new ATOM 0 HA TYR A 550 28.226 -7.745 7.997 1.00 0.00 H new ATOM 0 HB2 TYR A 550 26.659 -7.677 9.920 1.00 0.00 H new ATOM 0 HB3 TYR A 550 26.275 -6.477 8.702 1.00 0.00 H new ATOM 0 HD1 TYR A 550 24.156 -6.440 7.604 1.00 0.00 H new ATOM 0 HD2 TYR A 550 25.212 -9.753 10.140 1.00 0.00 H new ATOM 0 HE1 TYR A 550 21.809 -7.250 7.505 1.00 0.00 H new ATOM 0 HE2 TYR A 550 22.860 -10.565 10.058 1.00 0.00 H new ATOM 0 HH TYR A 550 20.801 -10.231 9.253 1.00 0.00 H new ATOM 277 N VAL A 551 28.147 -9.897 9.431 1.00 0.00 N ATOM 278 CA VAL A 551 28.378 -11.199 10.075 1.00 0.00 C ATOM 279 C VAL A 551 28.050 -11.114 11.569 1.00 0.00 C ATOM 280 O VAL A 551 28.389 -10.133 12.225 1.00 0.00 O ATOM 281 CB VAL A 551 29.811 -11.712 9.812 1.00 0.00 C ATOM 282 CG1 VAL A 551 29.862 -12.473 8.482 1.00 0.00 C ATOM 283 CG2 VAL A 551 30.905 -10.637 9.743 1.00 0.00 C ATOM 0 H VAL A 551 28.579 -9.127 9.941 1.00 0.00 H new ATOM 0 HA VAL A 551 27.706 -11.934 9.632 1.00 0.00 H new ATOM 0 HB VAL A 551 30.023 -12.338 10.679 1.00 0.00 H new ATOM 0 HG11 VAL A 551 30.877 -12.830 8.306 1.00 0.00 H new ATOM 0 HG12 VAL A 551 29.180 -13.322 8.522 1.00 0.00 H new ATOM 0 HG13 VAL A 551 29.566 -11.808 7.671 1.00 0.00 H new ATOM 0 HG21 VAL A 551 31.869 -11.110 9.555 1.00 0.00 H new ATOM 0 HG22 VAL A 551 30.679 -9.940 8.936 1.00 0.00 H new ATOM 0 HG23 VAL A 551 30.945 -10.097 10.689 1.00 0.00 H new ATOM 293 N VAL A 552 27.317 -12.097 12.099 1.00 0.00 N ATOM 294 CA VAL A 552 26.854 -12.110 13.502 1.00 0.00 C ATOM 295 C VAL A 552 28.030 -12.342 14.468 1.00 0.00 C ATOM 296 O VAL A 552 28.860 -13.226 14.243 1.00 0.00 O ATOM 297 CB VAL A 552 25.677 -13.095 13.688 1.00 0.00 C ATOM 298 CG1 VAL A 552 26.074 -14.563 13.501 1.00 0.00 C ATOM 299 CG2 VAL A 552 24.977 -12.958 15.043 1.00 0.00 C ATOM 0 H VAL A 552 27.022 -12.916 11.567 1.00 0.00 H new ATOM 0 HA VAL A 552 26.456 -11.128 13.756 1.00 0.00 H new ATOM 0 HB VAL A 552 24.983 -12.810 12.897 1.00 0.00 H new ATOM 0 HG11 VAL A 552 25.200 -15.198 13.646 1.00 0.00 H new ATOM 0 HG12 VAL A 552 26.465 -14.709 12.494 1.00 0.00 H new ATOM 0 HG13 VAL A 552 26.840 -14.828 14.230 1.00 0.00 H new ATOM 0 HG21 VAL A 552 24.162 -13.679 15.106 1.00 0.00 H new ATOM 0 HG22 VAL A 552 25.692 -13.149 15.843 1.00 0.00 H new ATOM 0 HG23 VAL A 552 24.578 -11.949 15.146 1.00 0.00 H new ATOM 309 N VAL A 553 28.102 -11.544 15.534 1.00 0.00 N ATOM 310 CA VAL A 553 29.066 -11.687 16.632 1.00 0.00 C ATOM 311 C VAL A 553 28.542 -12.684 17.675 1.00 0.00 C ATOM 312 O VAL A 553 27.488 -12.429 18.273 1.00 0.00 O ATOM 313 CB VAL A 553 29.408 -10.347 17.324 1.00 0.00 C ATOM 314 CG1 VAL A 553 30.665 -10.596 18.165 1.00 0.00 C ATOM 315 CG2 VAL A 553 29.729 -9.199 16.377 1.00 0.00 C ATOM 0 H VAL A 553 27.471 -10.753 15.664 1.00 0.00 H new ATOM 0 HA VAL A 553 29.987 -12.060 16.183 1.00 0.00 H new ATOM 0 HB VAL A 553 28.526 -10.048 17.891 1.00 0.00 H new ATOM 0 HG11 VAL A 553 30.949 -9.676 18.676 1.00 0.00 H new ATOM 0 HG12 VAL A 553 30.462 -11.373 18.902 1.00 0.00 H new ATOM 0 HG13 VAL A 553 31.480 -10.917 17.516 1.00 0.00 H new ATOM 0 HG21 VAL A 553 29.956 -8.303 16.955 1.00 0.00 H new ATOM 0 HG22 VAL A 553 30.591 -9.463 15.764 1.00 0.00 H new ATOM 0 HG23 VAL A 553 28.871 -9.008 15.733 1.00 0.00 H new ATOM 325 N PRO A 554 29.255 -13.797 17.957 1.00 0.00 N ATOM 326 CA PRO A 554 28.932 -14.664 19.084 1.00 0.00 C ATOM 327 C PRO A 554 29.397 -14.047 20.407 1.00 0.00 C ATOM 328 O PRO A 554 30.452 -13.414 20.472 1.00 0.00 O ATOM 329 CB PRO A 554 29.646 -15.973 18.768 1.00 0.00 C ATOM 330 CG PRO A 554 30.891 -15.543 18.013 1.00 0.00 C ATOM 331 CD PRO A 554 30.438 -14.293 17.262 1.00 0.00 C ATOM 0 HA PRO A 554 27.860 -14.813 19.210 1.00 0.00 H new ATOM 0 HB2 PRO A 554 29.900 -16.518 19.677 1.00 0.00 H new ATOM 0 HB3 PRO A 554 29.022 -16.632 18.165 1.00 0.00 H new ATOM 0 HG2 PRO A 554 31.717 -15.327 18.691 1.00 0.00 H new ATOM 0 HG3 PRO A 554 31.234 -16.320 17.330 1.00 0.00 H new ATOM 0 HD2 PRO A 554 31.226 -13.540 17.252 1.00 0.00 H new ATOM 0 HD3 PRO A 554 30.207 -14.527 16.223 1.00 0.00 H new ATOM 339 N GLU A 555 28.657 -14.277 21.490 1.00 0.00 N ATOM 340 CA GLU A 555 29.012 -13.749 22.822 1.00 0.00 C ATOM 341 C GLU A 555 30.356 -14.303 23.347 1.00 0.00 C ATOM 342 O GLU A 555 31.043 -13.653 24.135 1.00 0.00 O ATOM 343 CB GLU A 555 27.848 -14.029 23.790 1.00 0.00 C ATOM 344 CG GLU A 555 28.027 -13.368 25.163 1.00 0.00 C ATOM 345 CD GLU A 555 26.721 -13.327 25.987 1.00 0.00 C ATOM 346 OE1 GLU A 555 26.437 -12.277 26.614 1.00 0.00 O ATOM 347 OE2 GLU A 555 25.977 -14.337 26.030 1.00 0.00 O ATOM 0 H GLU A 555 27.800 -14.829 21.478 1.00 0.00 H new ATOM 0 HA GLU A 555 29.164 -12.673 22.743 1.00 0.00 H new ATOM 0 HB2 GLU A 555 26.919 -13.675 23.342 1.00 0.00 H new ATOM 0 HB3 GLU A 555 27.747 -15.106 23.924 1.00 0.00 H new ATOM 0 HG2 GLU A 555 28.788 -13.910 25.725 1.00 0.00 H new ATOM 0 HG3 GLU A 555 28.396 -12.351 25.026 1.00 0.00 H new ATOM 354 N THR A 556 30.786 -15.469 22.857 1.00 0.00 N ATOM 355 CA THR A 556 32.105 -16.077 23.124 1.00 0.00 C ATOM 356 C THR A 556 33.281 -15.317 22.492 1.00 0.00 C ATOM 357 O THR A 556 34.410 -15.487 22.953 1.00 0.00 O ATOM 358 CB THR A 556 32.128 -17.548 22.653 1.00 0.00 C ATOM 359 OG1 THR A 556 31.812 -17.630 21.275 1.00 0.00 O ATOM 360 CG2 THR A 556 31.135 -18.421 23.418 1.00 0.00 C ATOM 0 H THR A 556 30.209 -16.041 22.240 1.00 0.00 H new ATOM 0 HA THR A 556 32.241 -16.022 24.204 1.00 0.00 H new ATOM 0 HB THR A 556 33.137 -17.915 22.843 1.00 0.00 H new ATOM 0 HG1 THR A 556 31.832 -18.567 20.990 1.00 0.00 H new ATOM 0 HG21 THR A 556 31.191 -19.445 23.049 1.00 0.00 H new ATOM 0 HG22 THR A 556 31.379 -18.405 24.480 1.00 0.00 H new ATOM 0 HG23 THR A 556 30.125 -18.037 23.272 1.00 0.00 H new ATOM 368 N SER A 557 33.046 -14.448 21.494 1.00 0.00 N ATOM 369 CA SER A 557 34.069 -13.572 20.874 1.00 0.00 C ATOM 370 C SER A 557 34.482 -12.361 21.745 1.00 0.00 C ATOM 371 O SER A 557 34.623 -11.239 21.257 1.00 0.00 O ATOM 372 CB SER A 557 33.645 -13.179 19.443 1.00 0.00 C ATOM 373 OG SER A 557 34.691 -12.534 18.740 1.00 0.00 O ATOM 0 H SER A 557 32.120 -14.328 21.083 1.00 0.00 H new ATOM 0 HA SER A 557 34.985 -14.158 20.803 1.00 0.00 H new ATOM 0 HB2 SER A 557 33.338 -14.071 18.898 1.00 0.00 H new ATOM 0 HB3 SER A 557 32.778 -12.519 19.490 1.00 0.00 H new ATOM 0 HG SER A 557 35.043 -11.797 19.282 1.00 0.00 H new ATOM 379 N GLN A 558 34.680 -12.593 23.047 1.00 0.00 N ATOM 380 CA GLN A 558 35.262 -11.685 24.047 1.00 0.00 C ATOM 381 C GLN A 558 34.691 -10.245 24.007 1.00 0.00 C ATOM 382 O GLN A 558 33.621 -9.991 24.559 1.00 0.00 O ATOM 383 CB GLN A 558 36.799 -11.804 23.999 1.00 0.00 C ATOM 384 CG GLN A 558 37.500 -11.167 25.212 1.00 0.00 C ATOM 385 CD GLN A 558 39.021 -11.367 25.222 1.00 0.00 C ATOM 386 OE1 GLN A 558 39.631 -11.917 24.310 1.00 0.00 O ATOM 387 NE2 GLN A 558 39.693 -10.923 26.259 1.00 0.00 N ATOM 0 H GLN A 558 34.419 -13.487 23.463 1.00 0.00 H new ATOM 0 HA GLN A 558 34.948 -12.002 25.042 1.00 0.00 H new ATOM 0 HB2 GLN A 558 37.073 -12.858 23.943 1.00 0.00 H new ATOM 0 HB3 GLN A 558 37.164 -11.330 23.088 1.00 0.00 H new ATOM 0 HG2 GLN A 558 37.283 -10.099 25.226 1.00 0.00 H new ATOM 0 HG3 GLN A 558 37.081 -11.589 26.125 1.00 0.00 H new ATOM 0 HE21 GLN A 558 39.202 -10.463 27.026 1.00 0.00 H new ATOM 0 HE22 GLN A 558 40.706 -11.038 26.298 1.00 0.00 H new ATOM 396 N ASP A 559 35.399 -9.304 23.372 1.00 0.00 N ATOM 397 CA ASP A 559 35.073 -7.869 23.324 1.00 0.00 C ATOM 398 C ASP A 559 34.266 -7.430 22.078 1.00 0.00 C ATOM 399 O ASP A 559 34.012 -6.238 21.898 1.00 0.00 O ATOM 400 CB ASP A 559 36.365 -7.048 23.473 1.00 0.00 C ATOM 401 CG ASP A 559 37.092 -7.228 24.823 1.00 0.00 C ATOM 402 OD1 ASP A 559 36.434 -7.474 25.862 1.00 0.00 O ATOM 403 OD2 ASP A 559 38.336 -7.091 24.848 1.00 0.00 O ATOM 0 H ASP A 559 36.250 -9.528 22.856 1.00 0.00 H new ATOM 0 HA ASP A 559 34.403 -7.674 24.162 1.00 0.00 H new ATOM 0 HB2 ASP A 559 37.048 -7.322 22.669 1.00 0.00 H new ATOM 0 HB3 ASP A 559 36.126 -5.993 23.343 1.00 0.00 H new ATOM 408 N MET A 560 33.849 -8.365 21.208 1.00 0.00 N ATOM 409 CA MET A 560 33.079 -8.092 19.983 1.00 0.00 C ATOM 410 C MET A 560 33.777 -7.129 19.003 1.00 0.00 C ATOM 411 O MET A 560 33.120 -6.319 18.349 1.00 0.00 O ATOM 412 CB MET A 560 31.639 -7.641 20.316 1.00 0.00 C ATOM 413 CG MET A 560 30.860 -8.637 21.184 1.00 0.00 C ATOM 414 SD MET A 560 29.104 -8.204 21.332 1.00 0.00 S ATOM 415 CE MET A 560 28.372 -9.862 21.355 1.00 0.00 C ATOM 0 H MET A 560 34.043 -9.357 21.341 1.00 0.00 H new ATOM 0 HA MET A 560 33.022 -9.041 19.449 1.00 0.00 H new ATOM 0 HB2 MET A 560 31.679 -6.681 20.830 1.00 0.00 H new ATOM 0 HB3 MET A 560 31.094 -7.482 19.385 1.00 0.00 H new ATOM 0 HG2 MET A 560 30.950 -9.635 20.756 1.00 0.00 H new ATOM 0 HG3 MET A 560 31.307 -8.675 22.178 1.00 0.00 H new ATOM 0 HE1 MET A 560 27.411 -9.828 21.867 1.00 0.00 H new ATOM 0 HE2 MET A 560 28.226 -10.210 20.332 1.00 0.00 H new ATOM 0 HE3 MET A 560 29.039 -10.547 21.879 1.00 0.00 H new ATOM 425 N ALA A 561 35.105 -7.203 18.863 1.00 0.00 N ATOM 426 CA ALA A 561 35.878 -6.288 18.014 1.00 0.00 C ATOM 427 C ALA A 561 36.993 -6.970 17.199 1.00 0.00 C ATOM 428 O ALA A 561 37.563 -7.984 17.623 1.00 0.00 O ATOM 429 CB ALA A 561 36.426 -5.159 18.895 1.00 0.00 C ATOM 0 H ALA A 561 35.677 -7.902 19.337 1.00 0.00 H new ATOM 0 HA ALA A 561 35.204 -5.888 17.256 1.00 0.00 H new ATOM 0 HB1 ALA A 561 37.004 -4.467 18.282 1.00 0.00 H new ATOM 0 HB2 ALA A 561 35.597 -4.626 19.360 1.00 0.00 H new ATOM 0 HB3 ALA A 561 37.067 -5.580 19.670 1.00 0.00 H new ATOM 435 N PHE A 562 37.332 -6.377 16.050 1.00 0.00 N ATOM 436 CA PHE A 562 38.463 -6.749 15.180 1.00 0.00 C ATOM 437 C PHE A 562 38.960 -5.499 14.423 1.00 0.00 C ATOM 438 O PHE A 562 38.333 -4.447 14.536 1.00 0.00 O ATOM 439 CB PHE A 562 38.027 -7.888 14.230 1.00 0.00 C ATOM 440 CG PHE A 562 39.184 -8.694 13.662 1.00 0.00 C ATOM 441 CD1 PHE A 562 39.717 -9.760 14.413 1.00 0.00 C ATOM 442 CD2 PHE A 562 39.741 -8.385 12.404 1.00 0.00 C ATOM 443 CE1 PHE A 562 40.791 -10.515 13.908 1.00 0.00 C ATOM 444 CE2 PHE A 562 40.824 -9.131 11.902 1.00 0.00 C ATOM 445 CZ PHE A 562 41.347 -10.199 12.653 1.00 0.00 C ATOM 0 H PHE A 562 36.803 -5.587 15.680 1.00 0.00 H new ATOM 0 HA PHE A 562 39.299 -7.123 15.772 1.00 0.00 H new ATOM 0 HB2 PHE A 562 37.358 -8.560 14.768 1.00 0.00 H new ATOM 0 HB3 PHE A 562 37.455 -7.461 13.406 1.00 0.00 H new ATOM 0 HD1 PHE A 562 39.299 -9.998 15.380 1.00 0.00 H new ATOM 0 HD2 PHE A 562 39.334 -7.571 11.822 1.00 0.00 H new ATOM 0 HE1 PHE A 562 41.190 -11.338 14.483 1.00 0.00 H new ATOM 0 HE2 PHE A 562 41.253 -8.884 10.942 1.00 0.00 H new ATOM 0 HZ PHE A 562 42.174 -10.776 12.268 1.00 0.00 H new ATOM 455 N LYS A 563 40.057 -5.555 13.656 1.00 0.00 N ATOM 456 CA LYS A 563 40.586 -4.405 12.887 1.00 0.00 C ATOM 457 C LYS A 563 40.754 -4.714 11.392 1.00 0.00 C ATOM 458 O LYS A 563 41.398 -5.703 11.044 1.00 0.00 O ATOM 459 CB LYS A 563 41.885 -3.920 13.555 1.00 0.00 C ATOM 460 CG LYS A 563 42.503 -2.708 12.842 1.00 0.00 C ATOM 461 CD LYS A 563 43.610 -1.984 13.624 1.00 0.00 C ATOM 462 CE LYS A 563 44.839 -2.854 13.941 1.00 0.00 C ATOM 463 NZ LYS A 563 44.728 -3.548 15.256 1.00 0.00 N ATOM 0 H LYS A 563 40.612 -6.404 13.546 1.00 0.00 H new ATOM 0 HA LYS A 563 39.857 -3.595 12.912 1.00 0.00 H new ATOM 0 HB2 LYS A 563 41.679 -3.659 14.593 1.00 0.00 H new ATOM 0 HB3 LYS A 563 42.608 -4.736 13.569 1.00 0.00 H new ATOM 0 HG2 LYS A 563 42.911 -3.038 11.887 1.00 0.00 H new ATOM 0 HG3 LYS A 563 41.710 -1.994 12.620 1.00 0.00 H new ATOM 0 HD2 LYS A 563 43.934 -1.115 13.051 1.00 0.00 H new ATOM 0 HD3 LYS A 563 43.193 -1.612 14.560 1.00 0.00 H new ATOM 0 HE2 LYS A 563 44.967 -3.596 13.153 1.00 0.00 H new ATOM 0 HE3 LYS A 563 45.732 -2.229 13.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 563 45.637 -3.995 15.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 563 44.481 -2.857 15.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 563 43.988 -4.277 15.203 1.00 0.00 H new ATOM 477 N CYS A 564 40.221 -3.843 10.526 1.00 0.00 N ATOM 478 CA CYS A 564 40.382 -3.852 9.070 1.00 0.00 C ATOM 479 C CYS A 564 41.845 -3.592 8.675 1.00 0.00 C ATOM 480 O CYS A 564 42.311 -2.480 8.956 1.00 0.00 O ATOM 481 CB CYS A 564 39.512 -2.730 8.477 1.00 0.00 C ATOM 482 SG CYS A 564 39.515 -2.810 6.649 1.00 0.00 S ATOM 0 H CYS A 564 39.634 -3.071 10.842 1.00 0.00 H new ATOM 0 HA CYS A 564 40.084 -4.829 8.690 1.00 0.00 H new ATOM 0 HB2 CYS A 564 38.491 -2.819 8.849 1.00 0.00 H new ATOM 0 HB3 CYS A 564 39.887 -1.760 8.805 1.00 0.00 H new ATOM 0 HG CYS A 564 38.411 -2.300 6.191 1.00 0.00 H new ATOM 487 N PRO A 565 42.546 -4.529 8.002 1.00 0.00 N ATOM 488 CA PRO A 565 43.920 -4.315 7.529 1.00 0.00 C ATOM 489 C PRO A 565 44.082 -3.208 6.471 1.00 0.00 C ATOM 490 O PRO A 565 45.159 -2.618 6.368 1.00 0.00 O ATOM 491 CB PRO A 565 44.358 -5.670 6.954 1.00 0.00 C ATOM 492 CG PRO A 565 43.483 -6.685 7.687 1.00 0.00 C ATOM 493 CD PRO A 565 42.168 -5.933 7.849 1.00 0.00 C ATOM 0 HA PRO A 565 44.533 -3.967 8.361 1.00 0.00 H new ATOM 0 HB2 PRO A 565 44.203 -5.715 5.876 1.00 0.00 H new ATOM 0 HB3 PRO A 565 45.417 -5.855 7.132 1.00 0.00 H new ATOM 0 HG2 PRO A 565 43.357 -7.602 7.112 1.00 0.00 H new ATOM 0 HG3 PRO A 565 43.910 -6.968 8.649 1.00 0.00 H new ATOM 0 HD2 PRO A 565 41.524 -6.075 6.981 1.00 0.00 H new ATOM 0 HD3 PRO A 565 41.615 -6.289 8.718 1.00 0.00 H new ATOM 501 N ILE A 566 43.040 -2.929 5.675 1.00 0.00 N ATOM 502 CA ILE A 566 43.101 -2.011 4.520 1.00 0.00 C ATOM 503 C ILE A 566 43.152 -0.542 4.967 1.00 0.00 C ATOM 504 O ILE A 566 44.093 0.176 4.616 1.00 0.00 O ATOM 505 CB ILE A 566 41.926 -2.270 3.546 1.00 0.00 C ATOM 506 CG1 ILE A 566 42.061 -3.670 2.897 1.00 0.00 C ATOM 507 CG2 ILE A 566 41.846 -1.189 2.447 1.00 0.00 C ATOM 508 CD1 ILE A 566 40.816 -4.157 2.141 1.00 0.00 C ATOM 0 H ILE A 566 42.116 -3.339 5.814 1.00 0.00 H new ATOM 0 HA ILE A 566 44.028 -2.213 3.984 1.00 0.00 H new ATOM 0 HB ILE A 566 41.005 -2.228 4.128 1.00 0.00 H new ATOM 0 HG12 ILE A 566 42.904 -3.654 2.206 1.00 0.00 H new ATOM 0 HG13 ILE A 566 42.301 -4.394 3.676 1.00 0.00 H new ATOM 0 HG21 ILE A 566 41.009 -1.406 1.783 1.00 0.00 H new ATOM 0 HG22 ILE A 566 41.700 -0.212 2.908 1.00 0.00 H new ATOM 0 HG23 ILE A 566 42.772 -1.185 1.873 1.00 0.00 H new ATOM 0 HD11 ILE A 566 41.008 -5.145 1.723 1.00 0.00 H new ATOM 0 HD12 ILE A 566 39.971 -4.211 2.828 1.00 0.00 H new ATOM 0 HD13 ILE A 566 40.584 -3.461 1.335 1.00 0.00 H new ATOM 520 N CYS A 567 42.174 -0.111 5.777 1.00 0.00 N ATOM 521 CA CYS A 567 42.080 1.252 6.304 1.00 0.00 C ATOM 522 C CYS A 567 42.574 1.383 7.770 1.00 0.00 C ATOM 523 O CYS A 567 42.586 2.489 8.321 1.00 0.00 O ATOM 524 CB CYS A 567 40.659 1.789 6.061 1.00 0.00 C ATOM 525 SG CYS A 567 39.420 1.054 7.173 1.00 0.00 S ATOM 0 H CYS A 567 41.413 -0.714 6.088 1.00 0.00 H new ATOM 0 HA CYS A 567 42.774 1.890 5.757 1.00 0.00 H new ATOM 0 HB2 CYS A 567 40.659 2.871 6.191 1.00 0.00 H new ATOM 0 HB3 CYS A 567 40.374 1.592 5.028 1.00 0.00 H new ATOM 0 HG CYS A 567 39.419 -0.238 7.028 1.00 0.00 H new ATOM 530 N LYS A 568 43.015 0.265 8.373 1.00 0.00 N ATOM 531 CA LYS A 568 43.516 0.157 9.757 1.00 0.00 C ATOM 532 C LYS A 568 42.462 0.590 10.787 1.00 0.00 C ATOM 533 O LYS A 568 42.778 1.341 11.712 1.00 0.00 O ATOM 534 CB LYS A 568 44.897 0.835 9.913 1.00 0.00 C ATOM 535 CG LYS A 568 46.026 0.221 9.063 1.00 0.00 C ATOM 536 CD LYS A 568 46.027 0.628 7.580 1.00 0.00 C ATOM 537 CE LYS A 568 47.329 0.276 6.842 1.00 0.00 C ATOM 538 NZ LYS A 568 47.561 -1.194 6.795 1.00 0.00 N ATOM 0 H LYS A 568 43.033 -0.631 7.886 1.00 0.00 H new ATOM 0 HA LYS A 568 43.692 -0.896 9.978 1.00 0.00 H new ATOM 0 HB2 LYS A 568 44.799 1.889 9.652 1.00 0.00 H new ATOM 0 HB3 LYS A 568 45.189 0.792 10.962 1.00 0.00 H new ATOM 0 HG2 LYS A 568 46.983 0.504 9.501 1.00 0.00 H new ATOM 0 HG3 LYS A 568 45.956 -0.865 9.125 1.00 0.00 H new ATOM 0 HD2 LYS A 568 45.192 0.139 7.078 1.00 0.00 H new ATOM 0 HD3 LYS A 568 45.858 1.702 7.507 1.00 0.00 H new ATOM 0 HE2 LYS A 568 47.288 0.670 5.826 1.00 0.00 H new ATOM 0 HE3 LYS A 568 48.170 0.760 7.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 48.216 -1.417 6.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 47.972 -1.510 7.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 46.657 -1.683 6.636 1.00 0.00 H new ATOM 552 N GLU A 569 41.205 0.154 10.625 1.00 0.00 N ATOM 553 CA GLU A 569 40.092 0.619 11.485 1.00 0.00 C ATOM 554 C GLU A 569 39.421 -0.488 12.300 1.00 0.00 C ATOM 555 O GLU A 569 39.107 -1.554 11.778 1.00 0.00 O ATOM 556 CB GLU A 569 39.014 1.349 10.675 1.00 0.00 C ATOM 557 CG GLU A 569 39.384 2.777 10.228 1.00 0.00 C ATOM 558 CD GLU A 569 39.572 3.785 11.385 1.00 0.00 C ATOM 559 OE1 GLU A 569 40.168 4.865 11.144 1.00 0.00 O ATOM 560 OE2 GLU A 569 39.116 3.537 12.526 1.00 0.00 O ATOM 0 H GLU A 569 40.927 -0.518 9.910 1.00 0.00 H new ATOM 0 HA GLU A 569 40.568 1.303 12.187 1.00 0.00 H new ATOM 0 HB2 GLU A 569 38.784 0.756 9.790 1.00 0.00 H new ATOM 0 HB3 GLU A 569 38.103 1.397 11.272 1.00 0.00 H new ATOM 0 HG2 GLU A 569 40.305 2.735 9.647 1.00 0.00 H new ATOM 0 HG3 GLU A 569 38.605 3.149 9.563 1.00 0.00 H new ATOM 567 N THR A 570 39.159 -0.211 13.580 1.00 0.00 N ATOM 568 CA THR A 570 38.514 -1.160 14.498 1.00 0.00 C ATOM 569 C THR A 570 37.002 -1.259 14.235 1.00 0.00 C ATOM 570 O THR A 570 36.268 -0.287 14.429 1.00 0.00 O ATOM 571 CB THR A 570 38.797 -0.806 15.969 1.00 0.00 C ATOM 572 OG1 THR A 570 40.193 -0.837 16.198 1.00 0.00 O ATOM 573 CG2 THR A 570 38.171 -1.795 16.953 1.00 0.00 C ATOM 0 H THR A 570 39.389 0.683 14.014 1.00 0.00 H new ATOM 0 HA THR A 570 38.949 -2.140 14.305 1.00 0.00 H new ATOM 0 HB THR A 570 38.365 0.181 16.134 1.00 0.00 H new ATOM 0 HG1 THR A 570 40.376 -0.610 17.134 1.00 0.00 H new ATOM 0 HG21 THR A 570 38.406 -1.491 17.973 1.00 0.00 H new ATOM 0 HG22 THR A 570 37.089 -1.807 16.818 1.00 0.00 H new ATOM 0 HG23 THR A 570 38.571 -2.792 16.770 1.00 0.00 H new ATOM 581 N VAL A 571 36.529 -2.435 13.822 1.00 0.00 N ATOM 582 CA VAL A 571 35.099 -2.783 13.758 1.00 0.00 C ATOM 583 C VAL A 571 34.622 -3.251 15.139 1.00 0.00 C ATOM 584 O VAL A 571 35.363 -3.912 15.865 1.00 0.00 O ATOM 585 CB VAL A 571 34.800 -3.804 12.641 1.00 0.00 C ATOM 586 CG1 VAL A 571 35.201 -5.241 12.982 1.00 0.00 C ATOM 587 CG2 VAL A 571 33.314 -3.811 12.271 1.00 0.00 C ATOM 0 H VAL A 571 37.138 -3.193 13.515 1.00 0.00 H new ATOM 0 HA VAL A 571 34.531 -1.892 13.490 1.00 0.00 H new ATOM 0 HB VAL A 571 35.411 -3.469 11.803 1.00 0.00 H new ATOM 0 HG11 VAL A 571 34.957 -5.895 12.145 1.00 0.00 H new ATOM 0 HG12 VAL A 571 36.273 -5.283 13.176 1.00 0.00 H new ATOM 0 HG13 VAL A 571 34.659 -5.569 13.869 1.00 0.00 H new ATOM 0 HG21 VAL A 571 33.139 -4.542 11.481 1.00 0.00 H new ATOM 0 HG22 VAL A 571 32.722 -4.075 13.147 1.00 0.00 H new ATOM 0 HG23 VAL A 571 33.022 -2.821 11.921 1.00 0.00 H new ATOM 597 N THR A 572 33.383 -2.919 15.505 1.00 0.00 N ATOM 598 CA THR A 572 32.751 -3.302 16.780 1.00 0.00 C ATOM 599 C THR A 572 31.358 -3.877 16.540 1.00 0.00 C ATOM 600 O THR A 572 30.644 -3.451 15.629 1.00 0.00 O ATOM 601 CB THR A 572 32.685 -2.124 17.778 1.00 0.00 C ATOM 602 OG1 THR A 572 32.008 -1.013 17.225 1.00 0.00 O ATOM 603 CG2 THR A 572 34.073 -1.651 18.196 1.00 0.00 C ATOM 0 H THR A 572 32.770 -2.361 14.910 1.00 0.00 H new ATOM 0 HA THR A 572 33.379 -4.071 17.229 1.00 0.00 H new ATOM 0 HB THR A 572 32.146 -2.504 18.646 1.00 0.00 H new ATOM 0 HG1 THR A 572 31.982 -0.286 17.882 1.00 0.00 H new ATOM 0 HG21 THR A 572 33.979 -0.822 18.898 1.00 0.00 H new ATOM 0 HG22 THR A 572 34.609 -2.472 18.673 1.00 0.00 H new ATOM 0 HG23 THR A 572 34.625 -1.321 17.316 1.00 0.00 H new ATOM 611 N GLY A 573 30.952 -4.858 17.344 1.00 0.00 N ATOM 612 CA GLY A 573 29.640 -5.502 17.263 1.00 0.00 C ATOM 613 C GLY A 573 28.509 -4.560 17.676 1.00 0.00 C ATOM 614 O GLY A 573 28.640 -3.831 18.662 1.00 0.00 O ATOM 0 H GLY A 573 31.539 -5.237 18.087 1.00 0.00 H new ATOM 0 HA2 GLY A 573 29.469 -5.848 16.243 1.00 0.00 H new ATOM 0 HA3 GLY A 573 29.629 -6.383 17.904 1.00 0.00 H new ATOM 618 N VAL A 574 27.400 -4.587 16.934 1.00 0.00 N ATOM 619 CA VAL A 574 26.240 -3.705 17.134 1.00 0.00 C ATOM 620 C VAL A 574 24.948 -4.510 17.254 1.00 0.00 C ATOM 621 O VAL A 574 24.766 -5.491 16.543 1.00 0.00 O ATOM 622 CB VAL A 574 26.153 -2.648 16.007 1.00 0.00 C ATOM 623 CG1 VAL A 574 24.939 -1.721 16.166 1.00 0.00 C ATOM 624 CG2 VAL A 574 27.400 -1.761 15.962 1.00 0.00 C ATOM 0 H VAL A 574 27.277 -5.237 16.158 1.00 0.00 H new ATOM 0 HA VAL A 574 26.376 -3.173 18.076 1.00 0.00 H new ATOM 0 HB VAL A 574 26.061 -3.222 15.085 1.00 0.00 H new ATOM 0 HG11 VAL A 574 24.924 -0.998 15.350 1.00 0.00 H new ATOM 0 HG12 VAL A 574 24.024 -2.313 16.143 1.00 0.00 H new ATOM 0 HG13 VAL A 574 25.006 -1.193 17.117 1.00 0.00 H new ATOM 0 HG21 VAL A 574 27.299 -1.032 15.157 1.00 0.00 H new ATOM 0 HG22 VAL A 574 27.510 -1.239 16.913 1.00 0.00 H new ATOM 0 HG23 VAL A 574 28.280 -2.379 15.784 1.00 0.00 H new ATOM 634 N TYR A 575 24.037 -4.109 18.143 1.00 0.00 N ATOM 635 CA TYR A 575 22.822 -4.869 18.436 1.00 0.00 C ATOM 636 C TYR A 575 21.865 -4.960 17.226 1.00 0.00 C ATOM 637 O TYR A 575 21.426 -3.947 16.676 1.00 0.00 O ATOM 638 CB TYR A 575 22.133 -4.257 19.661 1.00 0.00 C ATOM 639 CG TYR A 575 20.900 -5.009 20.142 1.00 0.00 C ATOM 640 CD1 TYR A 575 19.623 -4.425 20.041 1.00 0.00 C ATOM 641 CD2 TYR A 575 21.040 -6.288 20.711 1.00 0.00 C ATOM 642 CE1 TYR A 575 18.494 -5.110 20.526 1.00 0.00 C ATOM 643 CE2 TYR A 575 19.911 -6.989 21.183 1.00 0.00 C ATOM 644 CZ TYR A 575 18.633 -6.393 21.097 1.00 0.00 C ATOM 645 OH TYR A 575 17.539 -7.038 21.584 1.00 0.00 O ATOM 0 H TYR A 575 24.122 -3.246 18.681 1.00 0.00 H new ATOM 0 HA TYR A 575 23.107 -5.898 18.656 1.00 0.00 H new ATOM 0 HB2 TYR A 575 22.853 -4.207 20.478 1.00 0.00 H new ATOM 0 HB3 TYR A 575 21.847 -3.232 19.425 1.00 0.00 H new ATOM 0 HD1 TYR A 575 19.510 -3.450 19.591 1.00 0.00 H new ATOM 0 HD2 TYR A 575 22.020 -6.736 20.787 1.00 0.00 H new ATOM 0 HE1 TYR A 575 17.518 -4.653 20.461 1.00 0.00 H new ATOM 0 HE2 TYR A 575 20.023 -7.976 21.608 1.00 0.00 H new ATOM 0 HH TYR A 575 17.806 -7.911 21.942 1.00 0.00 H new ATOM 655 N ASP A 576 21.516 -6.185 16.836 1.00 0.00 N ATOM 656 CA ASP A 576 20.510 -6.526 15.830 1.00 0.00 C ATOM 657 C ASP A 576 19.127 -6.625 16.490 1.00 0.00 C ATOM 658 O ASP A 576 18.793 -7.647 17.092 1.00 0.00 O ATOM 659 CB ASP A 576 20.893 -7.854 15.150 1.00 0.00 C ATOM 660 CG ASP A 576 19.944 -8.279 14.010 1.00 0.00 C ATOM 661 OD1 ASP A 576 20.169 -9.373 13.444 1.00 0.00 O ATOM 662 OD2 ASP A 576 18.986 -7.544 13.671 1.00 0.00 O ATOM 0 H ASP A 576 21.953 -7.015 17.237 1.00 0.00 H new ATOM 0 HA ASP A 576 20.470 -5.746 15.070 1.00 0.00 H new ATOM 0 HB2 ASP A 576 21.904 -7.767 14.752 1.00 0.00 H new ATOM 0 HB3 ASP A 576 20.914 -8.642 15.903 1.00 0.00 H new ATOM 667 N GLU A 577 18.327 -5.567 16.377 1.00 0.00 N ATOM 668 CA GLU A 577 17.015 -5.435 17.034 1.00 0.00 C ATOM 669 C GLU A 577 15.959 -6.451 16.557 1.00 0.00 C ATOM 670 O GLU A 577 15.014 -6.744 17.294 1.00 0.00 O ATOM 671 CB GLU A 577 16.463 -4.010 16.813 1.00 0.00 C ATOM 672 CG GLU A 577 17.324 -2.899 17.434 1.00 0.00 C ATOM 673 CD GLU A 577 16.788 -1.481 17.110 1.00 0.00 C ATOM 674 OE1 GLU A 577 17.596 -0.594 16.729 1.00 0.00 O ATOM 675 OE2 GLU A 577 15.567 -1.223 17.257 1.00 0.00 O ATOM 0 H GLU A 577 18.573 -4.754 15.813 1.00 0.00 H new ATOM 0 HA GLU A 577 17.194 -5.639 18.090 1.00 0.00 H new ATOM 0 HB2 GLU A 577 16.373 -3.829 15.742 1.00 0.00 H new ATOM 0 HB3 GLU A 577 15.458 -3.953 17.231 1.00 0.00 H new ATOM 0 HG2 GLU A 577 17.359 -3.032 18.515 1.00 0.00 H new ATOM 0 HG3 GLU A 577 18.347 -2.989 17.069 1.00 0.00 H new ATOM 682 N GLU A 578 16.087 -6.993 15.335 1.00 0.00 N ATOM 683 CA GLU A 578 15.129 -7.958 14.774 1.00 0.00 C ATOM 684 C GLU A 578 15.282 -9.362 15.389 1.00 0.00 C ATOM 685 O GLU A 578 14.315 -9.926 15.906 1.00 0.00 O ATOM 686 CB GLU A 578 15.264 -7.984 13.237 1.00 0.00 C ATOM 687 CG GLU A 578 14.260 -8.909 12.523 1.00 0.00 C ATOM 688 CD GLU A 578 12.772 -8.567 12.787 1.00 0.00 C ATOM 689 OE1 GLU A 578 12.419 -7.368 12.926 1.00 0.00 O ATOM 690 OE2 GLU A 578 11.931 -9.500 12.816 1.00 0.00 O ATOM 0 H GLU A 578 16.860 -6.773 14.707 1.00 0.00 H new ATOM 0 HA GLU A 578 14.122 -7.631 15.033 1.00 0.00 H new ATOM 0 HB2 GLU A 578 15.139 -6.970 12.857 1.00 0.00 H new ATOM 0 HB3 GLU A 578 16.275 -8.298 12.979 1.00 0.00 H new ATOM 0 HG2 GLU A 578 14.445 -8.865 11.450 1.00 0.00 H new ATOM 0 HG3 GLU A 578 14.445 -9.936 12.837 1.00 0.00 H new ATOM 697 N SER A 579 16.500 -9.916 15.365 1.00 0.00 N ATOM 698 CA SER A 579 16.819 -11.245 15.919 1.00 0.00 C ATOM 699 C SER A 579 17.190 -11.206 17.410 1.00 0.00 C ATOM 700 O SER A 579 17.093 -12.233 18.085 1.00 0.00 O ATOM 701 CB SER A 579 17.970 -11.892 15.130 1.00 0.00 C ATOM 702 OG SER A 579 17.617 -12.084 13.773 1.00 0.00 O ATOM 0 H SER A 579 17.308 -9.449 14.954 1.00 0.00 H new ATOM 0 HA SER A 579 15.910 -11.839 15.823 1.00 0.00 H new ATOM 0 HB2 SER A 579 18.856 -11.261 15.192 1.00 0.00 H new ATOM 0 HB3 SER A 579 18.229 -12.850 15.580 1.00 0.00 H new ATOM 0 HG SER A 579 18.367 -12.495 13.295 1.00 0.00 H new ATOM 708 N GLY A 580 17.614 -10.046 17.931 1.00 0.00 N ATOM 709 CA GLY A 580 18.094 -9.874 19.306 1.00 0.00 C ATOM 710 C GLY A 580 19.545 -10.330 19.495 1.00 0.00 C ATOM 711 O GLY A 580 19.913 -10.818 20.562 1.00 0.00 O ATOM 0 H GLY A 580 17.632 -9.180 17.392 1.00 0.00 H new ATOM 0 HA2 GLY A 580 18.010 -8.824 19.586 1.00 0.00 H new ATOM 0 HA3 GLY A 580 17.451 -10.437 19.983 1.00 0.00 H new ATOM 715 N GLU A 581 20.362 -10.219 18.443 1.00 0.00 N ATOM 716 CA GLU A 581 21.774 -10.646 18.396 1.00 0.00 C ATOM 717 C GLU A 581 22.713 -9.428 18.306 1.00 0.00 C ATOM 718 O GLU A 581 22.285 -8.291 18.496 1.00 0.00 O ATOM 719 CB GLU A 581 21.963 -11.629 17.225 1.00 0.00 C ATOM 720 CG GLU A 581 21.093 -12.902 17.310 1.00 0.00 C ATOM 721 CD GLU A 581 21.324 -13.760 18.578 1.00 0.00 C ATOM 722 OE1 GLU A 581 20.373 -14.441 19.027 1.00 0.00 O ATOM 723 OE2 GLU A 581 22.463 -13.812 19.104 1.00 0.00 O ATOM 0 H GLU A 581 20.049 -9.813 17.561 1.00 0.00 H new ATOM 0 HA GLU A 581 22.037 -11.164 19.318 1.00 0.00 H new ATOM 0 HB2 GLU A 581 21.737 -11.111 16.293 1.00 0.00 H new ATOM 0 HB3 GLU A 581 23.012 -11.923 17.180 1.00 0.00 H new ATOM 0 HG2 GLU A 581 20.043 -12.611 17.271 1.00 0.00 H new ATOM 0 HG3 GLU A 581 21.287 -13.517 16.431 1.00 0.00 H new ATOM 730 N TRP A 582 23.993 -9.641 18.001 1.00 0.00 N ATOM 731 CA TRP A 582 24.983 -8.597 17.711 1.00 0.00 C ATOM 732 C TRP A 582 25.640 -8.860 16.352 1.00 0.00 C ATOM 733 O TRP A 582 25.828 -10.013 15.983 1.00 0.00 O ATOM 734 CB TRP A 582 26.001 -8.534 18.856 1.00 0.00 C ATOM 735 CG TRP A 582 25.435 -8.110 20.181 1.00 0.00 C ATOM 736 CD1 TRP A 582 24.745 -8.908 21.029 1.00 0.00 C ATOM 737 CD2 TRP A 582 25.417 -6.782 20.792 1.00 0.00 C ATOM 738 NE1 TRP A 582 24.292 -8.178 22.104 1.00 0.00 N ATOM 739 CE2 TRP A 582 24.673 -6.856 22.013 1.00 0.00 C ATOM 740 CE3 TRP A 582 25.965 -5.531 20.443 1.00 0.00 C ATOM 741 CZ2 TRP A 582 24.461 -5.731 22.827 1.00 0.00 C ATOM 742 CZ3 TRP A 582 25.767 -4.400 21.255 1.00 0.00 C ATOM 743 CH2 TRP A 582 25.014 -4.495 22.437 1.00 0.00 C ATOM 0 H TRP A 582 24.386 -10.580 17.946 1.00 0.00 H new ATOM 0 HA TRP A 582 24.499 -7.623 17.645 1.00 0.00 H new ATOM 0 HB2 TRP A 582 26.459 -9.516 18.970 1.00 0.00 H new ATOM 0 HB3 TRP A 582 26.796 -7.842 18.579 1.00 0.00 H new ATOM 0 HD1 TRP A 582 24.575 -9.964 20.883 1.00 0.00 H new ATOM 0 HE1 TRP A 582 23.743 -8.566 22.871 1.00 0.00 H new ATOM 0 HE3 TRP A 582 26.546 -5.440 19.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 582 23.884 -5.812 23.736 1.00 0.00 H new ATOM 0 HZ3 TRP A 582 26.197 -3.452 20.968 1.00 0.00 H new ATOM 0 HH2 TRP A 582 24.858 -3.618 23.048 1.00 0.00 H new ATOM 754 N VAL A 583 25.997 -7.819 15.594 1.00 0.00 N ATOM 755 CA VAL A 583 26.485 -7.916 14.200 1.00 0.00 C ATOM 756 C VAL A 583 27.646 -6.964 13.902 1.00 0.00 C ATOM 757 O VAL A 583 27.675 -5.832 14.382 1.00 0.00 O ATOM 758 CB VAL A 583 25.359 -7.711 13.156 1.00 0.00 C ATOM 759 CG1 VAL A 583 24.365 -8.875 13.142 1.00 0.00 C ATOM 760 CG2 VAL A 583 24.585 -6.397 13.317 1.00 0.00 C ATOM 0 H VAL A 583 25.957 -6.858 15.934 1.00 0.00 H new ATOM 0 HA VAL A 583 26.856 -8.937 14.109 1.00 0.00 H new ATOM 0 HB VAL A 583 25.888 -7.667 12.204 1.00 0.00 H new ATOM 0 HG11 VAL A 583 23.594 -8.686 12.395 1.00 0.00 H new ATOM 0 HG12 VAL A 583 24.890 -9.799 12.897 1.00 0.00 H new ATOM 0 HG13 VAL A 583 23.902 -8.970 14.124 1.00 0.00 H new ATOM 0 HG21 VAL A 583 23.816 -6.331 12.548 1.00 0.00 H new ATOM 0 HG22 VAL A 583 24.118 -6.368 14.301 1.00 0.00 H new ATOM 0 HG23 VAL A 583 25.271 -5.556 13.217 1.00 0.00 H new ATOM 770 N TRP A 584 28.586 -7.427 13.075 1.00 0.00 N ATOM 771 CA TRP A 584 29.679 -6.646 12.488 1.00 0.00 C ATOM 772 C TRP A 584 29.248 -6.147 11.100 1.00 0.00 C ATOM 773 O TRP A 584 29.203 -6.916 10.139 1.00 0.00 O ATOM 774 CB TRP A 584 30.937 -7.532 12.422 1.00 0.00 C ATOM 775 CG TRP A 584 31.739 -7.694 13.678 1.00 0.00 C ATOM 776 CD1 TRP A 584 31.916 -6.758 14.637 1.00 0.00 C ATOM 777 CD2 TRP A 584 32.540 -8.846 14.110 1.00 0.00 C ATOM 778 NE1 TRP A 584 32.728 -7.252 15.639 1.00 0.00 N ATOM 779 CE2 TRP A 584 33.132 -8.541 15.374 1.00 0.00 C ATOM 780 CE3 TRP A 584 32.802 -10.135 13.578 1.00 0.00 C ATOM 781 CZ2 TRP A 584 33.907 -9.469 16.089 1.00 0.00 C ATOM 782 CZ3 TRP A 584 33.577 -11.072 14.290 1.00 0.00 C ATOM 783 CH2 TRP A 584 34.123 -10.746 15.546 1.00 0.00 C ATOM 0 H TRP A 584 28.607 -8.404 12.782 1.00 0.00 H new ATOM 0 HA TRP A 584 29.912 -5.772 13.097 1.00 0.00 H new ATOM 0 HB2 TRP A 584 30.632 -8.524 12.088 1.00 0.00 H new ATOM 0 HB3 TRP A 584 31.595 -7.125 11.654 1.00 0.00 H new ATOM 0 HD1 TRP A 584 31.485 -5.768 14.622 1.00 0.00 H new ATOM 0 HE1 TRP A 584 32.995 -6.727 16.472 1.00 0.00 H new ATOM 0 HE3 TRP A 584 32.401 -10.402 12.612 1.00 0.00 H new ATOM 0 HZ2 TRP A 584 34.332 -9.203 17.046 1.00 0.00 H new ATOM 0 HZ3 TRP A 584 33.754 -12.050 13.868 1.00 0.00 H new ATOM 0 HH2 TRP A 584 34.706 -11.475 16.090 1.00 0.00 H new ATOM 794 N LYS A 585 28.866 -4.867 11.013 1.00 0.00 N ATOM 795 CA LYS A 585 28.361 -4.195 9.796 1.00 0.00 C ATOM 796 C LYS A 585 29.474 -3.899 8.780 1.00 0.00 C ATOM 797 O LYS A 585 30.627 -3.712 9.166 1.00 0.00 O ATOM 798 CB LYS A 585 27.596 -2.917 10.173 1.00 0.00 C ATOM 799 CG LYS A 585 26.371 -3.234 11.050 1.00 0.00 C ATOM 800 CD LYS A 585 25.447 -2.020 11.226 1.00 0.00 C ATOM 801 CE LYS A 585 26.127 -0.862 11.967 1.00 0.00 C ATOM 802 NZ LYS A 585 25.215 0.307 12.107 1.00 0.00 N ATOM 0 H LYS A 585 28.899 -4.241 11.817 1.00 0.00 H new ATOM 0 HA LYS A 585 27.674 -4.884 9.305 1.00 0.00 H new ATOM 0 HB2 LYS A 585 28.261 -2.237 10.706 1.00 0.00 H new ATOM 0 HB3 LYS A 585 27.274 -2.403 9.267 1.00 0.00 H new ATOM 0 HG2 LYS A 585 25.809 -4.053 10.602 1.00 0.00 H new ATOM 0 HG3 LYS A 585 26.707 -3.576 12.029 1.00 0.00 H new ATOM 0 HD2 LYS A 585 25.116 -1.675 10.246 1.00 0.00 H new ATOM 0 HD3 LYS A 585 24.555 -2.324 11.775 1.00 0.00 H new ATOM 0 HE2 LYS A 585 26.445 -1.197 12.954 1.00 0.00 H new ATOM 0 HE3 LYS A 585 27.025 -0.561 11.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 585 25.706 1.072 12.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 585 24.932 0.641 11.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 585 24.369 0.025 12.643 1.00 0.00 H new ATOM 816 N ASN A 586 29.128 -3.864 7.490 1.00 0.00 N ATOM 817 CA ASN A 586 30.054 -3.678 6.364 1.00 0.00 C ATOM 818 C ASN A 586 31.272 -4.628 6.426 1.00 0.00 C ATOM 819 O ASN A 586 32.394 -4.207 6.169 1.00 0.00 O ATOM 820 CB ASN A 586 30.412 -2.182 6.239 1.00 0.00 C ATOM 821 CG ASN A 586 31.222 -1.825 4.994 1.00 0.00 C ATOM 822 OD1 ASN A 586 31.283 -2.541 4.002 1.00 0.00 O ATOM 823 ND2 ASN A 586 31.848 -0.676 4.985 1.00 0.00 N ATOM 0 H ASN A 586 28.159 -3.968 7.188 1.00 0.00 H new ATOM 0 HA ASN A 586 29.557 -3.969 5.439 1.00 0.00 H new ATOM 0 HB2 ASN A 586 29.490 -1.600 6.236 1.00 0.00 H new ATOM 0 HB3 ASN A 586 30.976 -1.882 7.122 1.00 0.00 H new ATOM 0 HD21 ASN A 586 32.376 -0.389 4.161 1.00 0.00 H new ATOM 0 HD22 ASN A 586 31.808 -0.067 5.802 1.00 0.00 H new ATOM 830 N THR A 587 31.084 -5.885 6.850 1.00 0.00 N ATOM 831 CA THR A 587 32.187 -6.837 7.112 1.00 0.00 C ATOM 832 C THR A 587 32.126 -8.080 6.222 1.00 0.00 C ATOM 833 O THR A 587 31.057 -8.660 6.004 1.00 0.00 O ATOM 834 CB THR A 587 32.252 -7.224 8.594 1.00 0.00 C ATOM 835 OG1 THR A 587 32.503 -6.069 9.359 1.00 0.00 O ATOM 836 CG2 THR A 587 33.384 -8.203 8.924 1.00 0.00 C ATOM 0 H THR A 587 30.159 -6.278 7.024 1.00 0.00 H new ATOM 0 HA THR A 587 33.108 -6.314 6.854 1.00 0.00 H new ATOM 0 HB THR A 587 31.297 -7.698 8.821 1.00 0.00 H new ATOM 0 HG1 THR A 587 31.774 -5.427 9.230 1.00 0.00 H new ATOM 0 HG21 THR A 587 33.368 -8.431 9.990 1.00 0.00 H new ATOM 0 HG22 THR A 587 33.248 -9.122 8.354 1.00 0.00 H new ATOM 0 HG23 THR A 587 34.342 -7.753 8.663 1.00 0.00 H new ATOM 844 N ILE A 588 33.301 -8.523 5.770 1.00 0.00 N ATOM 845 CA ILE A 588 33.556 -9.708 4.943 1.00 0.00 C ATOM 846 C ILE A 588 34.719 -10.525 5.533 1.00 0.00 C ATOM 847 O ILE A 588 35.667 -9.974 6.093 1.00 0.00 O ATOM 848 CB ILE A 588 33.798 -9.283 3.470 1.00 0.00 C ATOM 849 CG1 ILE A 588 34.126 -10.497 2.569 1.00 0.00 C ATOM 850 CG2 ILE A 588 34.922 -8.244 3.318 1.00 0.00 C ATOM 851 CD1 ILE A 588 34.048 -10.203 1.065 1.00 0.00 C ATOM 0 H ILE A 588 34.165 -8.027 5.988 1.00 0.00 H new ATOM 0 HA ILE A 588 32.682 -10.360 4.945 1.00 0.00 H new ATOM 0 HB ILE A 588 32.861 -8.827 3.151 1.00 0.00 H new ATOM 0 HG12 ILE A 588 35.129 -10.851 2.807 1.00 0.00 H new ATOM 0 HG13 ILE A 588 33.437 -11.308 2.806 1.00 0.00 H new ATOM 0 HG21 ILE A 588 35.042 -7.989 2.265 1.00 0.00 H new ATOM 0 HG22 ILE A 588 34.667 -7.347 3.882 1.00 0.00 H new ATOM 0 HG23 ILE A 588 35.855 -8.659 3.699 1.00 0.00 H new ATOM 0 HD11 ILE A 588 34.292 -11.106 0.505 1.00 0.00 H new ATOM 0 HD12 ILE A 588 33.039 -9.879 0.810 1.00 0.00 H new ATOM 0 HD13 ILE A 588 34.758 -9.416 0.811 1.00 0.00 H new ATOM 863 N GLU A 589 34.650 -11.853 5.411 1.00 0.00 N ATOM 864 CA GLU A 589 35.747 -12.785 5.722 1.00 0.00 C ATOM 865 C GLU A 589 36.329 -13.396 4.430 1.00 0.00 C ATOM 866 O GLU A 589 35.583 -13.891 3.579 1.00 0.00 O ATOM 867 CB GLU A 589 35.250 -13.866 6.696 1.00 0.00 C ATOM 868 CG GLU A 589 36.402 -14.710 7.271 1.00 0.00 C ATOM 869 CD GLU A 589 35.948 -15.862 8.197 1.00 0.00 C ATOM 870 OE1 GLU A 589 34.729 -16.097 8.392 1.00 0.00 O ATOM 871 OE2 GLU A 589 36.836 -16.568 8.733 1.00 0.00 O ATOM 0 H GLU A 589 33.808 -12.327 5.084 1.00 0.00 H new ATOM 0 HA GLU A 589 36.556 -12.239 6.208 1.00 0.00 H new ATOM 0 HB2 GLU A 589 34.706 -13.393 7.514 1.00 0.00 H new ATOM 0 HB3 GLU A 589 34.546 -14.520 6.181 1.00 0.00 H new ATOM 0 HG2 GLU A 589 36.977 -15.129 6.445 1.00 0.00 H new ATOM 0 HG3 GLU A 589 37.073 -14.056 7.827 1.00 0.00 H new ATOM 878 N VAL A 590 37.657 -13.392 4.298 1.00 0.00 N ATOM 879 CA VAL A 590 38.393 -13.996 3.170 1.00 0.00 C ATOM 880 C VAL A 590 39.799 -14.421 3.606 1.00 0.00 C ATOM 881 O VAL A 590 40.446 -13.730 4.392 1.00 0.00 O ATOM 882 CB VAL A 590 38.402 -13.055 1.938 1.00 0.00 C ATOM 883 CG1 VAL A 590 39.020 -11.678 2.203 1.00 0.00 C ATOM 884 CG2 VAL A 590 39.126 -13.670 0.735 1.00 0.00 C ATOM 0 H VAL A 590 38.272 -12.959 4.987 1.00 0.00 H new ATOM 0 HA VAL A 590 37.872 -14.902 2.859 1.00 0.00 H new ATOM 0 HB VAL A 590 37.343 -12.922 1.715 1.00 0.00 H new ATOM 0 HG11 VAL A 590 38.987 -11.083 1.291 1.00 0.00 H new ATOM 0 HG12 VAL A 590 38.458 -11.172 2.987 1.00 0.00 H new ATOM 0 HG13 VAL A 590 40.056 -11.799 2.520 1.00 0.00 H new ATOM 0 HG21 VAL A 590 39.103 -12.970 -0.100 1.00 0.00 H new ATOM 0 HG22 VAL A 590 40.161 -13.882 1.003 1.00 0.00 H new ATOM 0 HG23 VAL A 590 38.629 -14.596 0.446 1.00 0.00 H new ATOM 894 N ASN A 591 40.266 -15.580 3.127 1.00 0.00 N ATOM 895 CA ASN A 591 41.596 -16.135 3.426 1.00 0.00 C ATOM 896 C ASN A 591 41.887 -16.241 4.948 1.00 0.00 C ATOM 897 O ASN A 591 42.988 -15.956 5.419 1.00 0.00 O ATOM 898 CB ASN A 591 42.652 -15.361 2.606 1.00 0.00 C ATOM 899 CG ASN A 591 44.016 -16.031 2.561 1.00 0.00 C ATOM 900 OD1 ASN A 591 44.176 -17.230 2.752 1.00 0.00 O ATOM 901 ND2 ASN A 591 45.049 -15.269 2.290 1.00 0.00 N ATOM 0 H ASN A 591 39.718 -16.174 2.505 1.00 0.00 H new ATOM 0 HA ASN A 591 41.638 -17.177 3.109 1.00 0.00 H new ATOM 0 HB2 ASN A 591 42.286 -15.238 1.587 1.00 0.00 H new ATOM 0 HB3 ASN A 591 42.763 -14.362 3.028 1.00 0.00 H new ATOM 0 HD21 ASN A 591 45.983 -15.675 2.239 1.00 0.00 H new ATOM 0 HD22 ASN A 591 44.918 -14.270 2.131 1.00 0.00 H new ATOM 908 N GLY A 592 40.860 -16.596 5.732 1.00 0.00 N ATOM 909 CA GLY A 592 40.931 -16.744 7.194 1.00 0.00 C ATOM 910 C GLY A 592 41.017 -15.426 7.995 1.00 0.00 C ATOM 911 O GLY A 592 41.289 -15.473 9.199 1.00 0.00 O ATOM 0 H GLY A 592 39.932 -16.794 5.358 1.00 0.00 H new ATOM 0 HA2 GLY A 592 40.052 -17.295 7.529 1.00 0.00 H new ATOM 0 HA3 GLY A 592 41.801 -17.354 7.438 1.00 0.00 H new ATOM 915 N LYS A 593 40.814 -14.267 7.352 1.00 0.00 N ATOM 916 CA LYS A 593 40.934 -12.916 7.945 1.00 0.00 C ATOM 917 C LYS A 593 39.712 -12.039 7.630 1.00 0.00 C ATOM 918 O LYS A 593 39.027 -12.237 6.627 1.00 0.00 O ATOM 919 CB LYS A 593 42.235 -12.256 7.451 1.00 0.00 C ATOM 920 CG LYS A 593 43.496 -12.955 8.000 1.00 0.00 C ATOM 921 CD LYS A 593 44.805 -12.358 7.453 1.00 0.00 C ATOM 922 CE LYS A 593 44.993 -12.666 5.961 1.00 0.00 C ATOM 923 NZ LYS A 593 46.320 -12.206 5.477 1.00 0.00 N ATOM 0 H LYS A 593 40.551 -14.238 6.367 1.00 0.00 H new ATOM 0 HA LYS A 593 40.971 -13.017 9.030 1.00 0.00 H new ATOM 0 HB2 LYS A 593 42.258 -12.275 6.361 1.00 0.00 H new ATOM 0 HB3 LYS A 593 42.244 -11.208 7.751 1.00 0.00 H new ATOM 0 HG2 LYS A 593 43.498 -12.885 9.088 1.00 0.00 H new ATOM 0 HG3 LYS A 593 43.455 -14.015 7.749 1.00 0.00 H new ATOM 0 HD2 LYS A 593 44.803 -11.278 7.604 1.00 0.00 H new ATOM 0 HD3 LYS A 593 45.649 -12.757 8.016 1.00 0.00 H new ATOM 0 HE2 LYS A 593 44.895 -13.739 5.794 1.00 0.00 H new ATOM 0 HE3 LYS A 593 44.205 -12.180 5.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 593 46.417 -12.428 4.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 593 46.403 -11.179 5.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 593 47.071 -12.689 6.011 1.00 0.00 H new ATOM 937 N TYR A 594 39.444 -11.062 8.492 1.00 0.00 N ATOM 938 CA TYR A 594 38.366 -10.082 8.305 1.00 0.00 C ATOM 939 C TYR A 594 38.829 -8.805 7.608 1.00 0.00 C ATOM 940 O TYR A 594 39.955 -8.343 7.778 1.00 0.00 O ATOM 941 CB TYR A 594 37.718 -9.712 9.639 1.00 0.00 C ATOM 942 CG TYR A 594 36.958 -10.855 10.277 1.00 0.00 C ATOM 943 CD1 TYR A 594 37.414 -11.452 11.468 1.00 0.00 C ATOM 944 CD2 TYR A 594 35.779 -11.317 9.661 1.00 0.00 C ATOM 945 CE1 TYR A 594 36.696 -12.522 12.036 1.00 0.00 C ATOM 946 CE2 TYR A 594 35.073 -12.398 10.213 1.00 0.00 C ATOM 947 CZ TYR A 594 35.526 -13.002 11.408 1.00 0.00 C ATOM 948 OH TYR A 594 34.840 -14.047 11.953 1.00 0.00 O ATOM 0 H TYR A 594 39.973 -10.923 9.353 1.00 0.00 H new ATOM 0 HA TYR A 594 37.637 -10.571 7.659 1.00 0.00 H new ATOM 0 HB2 TYR A 594 38.491 -9.371 10.327 1.00 0.00 H new ATOM 0 HB3 TYR A 594 37.037 -8.875 9.484 1.00 0.00 H new ATOM 0 HD1 TYR A 594 38.313 -11.090 11.945 1.00 0.00 H new ATOM 0 HD2 TYR A 594 35.417 -10.839 8.763 1.00 0.00 H new ATOM 0 HE1 TYR A 594 37.041 -12.976 12.953 1.00 0.00 H new ATOM 0 HE2 TYR A 594 34.184 -12.768 9.724 1.00 0.00 H new ATOM 0 HH TYR A 594 34.059 -14.251 11.397 1.00 0.00 H new ATOM 958 N PHE A 595 37.887 -8.221 6.876 1.00 0.00 N ATOM 959 CA PHE A 595 38.021 -7.001 6.090 1.00 0.00 C ATOM 960 C PHE A 595 36.670 -6.265 6.050 1.00 0.00 C ATOM 961 O PHE A 595 35.631 -6.848 6.366 1.00 0.00 O ATOM 962 CB PHE A 595 38.487 -7.390 4.675 1.00 0.00 C ATOM 963 CG PHE A 595 39.884 -7.970 4.570 1.00 0.00 C ATOM 964 CD1 PHE A 595 40.083 -9.364 4.630 1.00 0.00 C ATOM 965 CD2 PHE A 595 40.994 -7.125 4.402 1.00 0.00 C ATOM 966 CE1 PHE A 595 41.374 -9.908 4.514 1.00 0.00 C ATOM 967 CE2 PHE A 595 42.286 -7.665 4.269 1.00 0.00 C ATOM 968 CZ PHE A 595 42.476 -9.057 4.328 1.00 0.00 C ATOM 0 H PHE A 595 36.948 -8.614 6.812 1.00 0.00 H new ATOM 0 HA PHE A 595 38.754 -6.329 6.536 1.00 0.00 H new ATOM 0 HB2 PHE A 595 37.782 -8.116 4.269 1.00 0.00 H new ATOM 0 HB3 PHE A 595 38.434 -6.505 4.041 1.00 0.00 H new ATOM 0 HD1 PHE A 595 39.236 -10.020 4.766 1.00 0.00 H new ATOM 0 HD2 PHE A 595 40.854 -6.054 4.375 1.00 0.00 H new ATOM 0 HE1 PHE A 595 41.518 -10.977 4.568 1.00 0.00 H new ATOM 0 HE2 PHE A 595 43.132 -7.010 4.122 1.00 0.00 H new ATOM 0 HZ PHE A 595 43.468 -9.472 4.230 1.00 0.00 H new ATOM 978 N HIS A 596 36.664 -4.996 5.639 1.00 0.00 N ATOM 979 CA HIS A 596 35.421 -4.283 5.326 1.00 0.00 C ATOM 980 C HIS A 596 34.992 -4.606 3.898 1.00 0.00 C ATOM 981 O HIS A 596 35.833 -4.680 3.002 1.00 0.00 O ATOM 982 CB HIS A 596 35.558 -2.765 5.442 1.00 0.00 C ATOM 983 CG HIS A 596 35.630 -2.145 6.809 1.00 0.00 C ATOM 984 ND1 HIS A 596 36.667 -1.292 7.157 1.00 0.00 N ATOM 985 CD2 HIS A 596 34.731 -2.223 7.834 1.00 0.00 C ATOM 986 CE1 HIS A 596 36.386 -0.866 8.398 1.00 0.00 C ATOM 987 NE2 HIS A 596 35.228 -1.405 8.827 1.00 0.00 N ATOM 0 H HIS A 596 37.508 -4.438 5.514 1.00 0.00 H new ATOM 0 HA HIS A 596 34.682 -4.616 6.055 1.00 0.00 H new ATOM 0 HB2 HIS A 596 36.457 -2.473 4.900 1.00 0.00 H new ATOM 0 HB3 HIS A 596 34.712 -2.317 4.921 1.00 0.00 H new ATOM 0 HD2 HIS A 596 33.821 -2.804 7.861 1.00 0.00 H new ATOM 0 HE1 HIS A 596 37.000 -0.188 8.971 1.00 0.00 H new ATOM 0 HE2 HIS A 596 34.792 -1.236 9.734 1.00 0.00 H new ATOM 995 N SER A 597 33.690 -4.763 3.663 1.00 0.00 N ATOM 996 CA SER A 597 33.161 -5.135 2.347 1.00 0.00 C ATOM 997 C SER A 597 33.417 -4.055 1.293 1.00 0.00 C ATOM 998 O SER A 597 33.859 -4.381 0.193 1.00 0.00 O ATOM 999 CB SER A 597 31.671 -5.483 2.444 1.00 0.00 C ATOM 1000 OG SER A 597 31.453 -6.435 3.469 1.00 0.00 O ATOM 0 H SER A 597 32.972 -4.637 4.376 1.00 0.00 H new ATOM 0 HA SER A 597 33.699 -6.023 2.017 1.00 0.00 H new ATOM 0 HB2 SER A 597 31.093 -4.582 2.647 1.00 0.00 H new ATOM 0 HB3 SER A 597 31.320 -5.879 1.491 1.00 0.00 H new ATOM 0 HG SER A 597 30.678 -6.990 3.241 1.00 0.00 H new ATOM 1006 N THR A 598 33.218 -2.771 1.623 1.00 0.00 N ATOM 1007 CA THR A 598 33.523 -1.647 0.708 1.00 0.00 C ATOM 1008 C THR A 598 35.026 -1.474 0.453 1.00 0.00 C ATOM 1009 O THR A 598 35.429 -1.278 -0.698 1.00 0.00 O ATOM 1010 CB THR A 598 32.930 -0.321 1.221 1.00 0.00 C ATOM 1011 OG1 THR A 598 33.335 -0.050 2.548 1.00 0.00 O ATOM 1012 CG2 THR A 598 31.400 -0.294 1.197 1.00 0.00 C ATOM 0 H THR A 598 32.843 -2.477 2.525 1.00 0.00 H new ATOM 0 HA THR A 598 33.053 -1.906 -0.241 1.00 0.00 H new ATOM 0 HB THR A 598 33.311 0.436 0.536 1.00 0.00 H new ATOM 0 HG1 THR A 598 32.996 0.828 2.821 1.00 0.00 H new ATOM 0 HG21 THR A 598 31.047 0.667 1.571 1.00 0.00 H new ATOM 0 HG22 THR A 598 31.050 -0.437 0.175 1.00 0.00 H new ATOM 0 HG23 THR A 598 31.012 -1.093 1.828 1.00 0.00 H new ATOM 1020 N CYS A 599 35.863 -1.599 1.492 1.00 0.00 N ATOM 1021 CA CYS A 599 37.321 -1.600 1.385 1.00 0.00 C ATOM 1022 C CYS A 599 37.803 -2.703 0.425 1.00 0.00 C ATOM 1023 O CYS A 599 38.504 -2.418 -0.545 1.00 0.00 O ATOM 1024 CB CYS A 599 37.932 -1.758 2.787 1.00 0.00 C ATOM 1025 SG CYS A 599 37.635 -0.285 3.828 1.00 0.00 S ATOM 0 H CYS A 599 35.533 -1.705 2.451 1.00 0.00 H new ATOM 0 HA CYS A 599 37.654 -0.651 0.966 1.00 0.00 H new ATOM 0 HB2 CYS A 599 37.507 -2.637 3.272 1.00 0.00 H new ATOM 0 HB3 CYS A 599 39.005 -1.930 2.699 1.00 0.00 H new ATOM 0 HG CYS A 599 37.431 -0.656 5.057 1.00 0.00 H new ATOM 1030 N TYR A 600 37.391 -3.949 0.673 1.00 0.00 N ATOM 1031 CA TYR A 600 37.705 -5.100 -0.170 1.00 0.00 C ATOM 1032 C TYR A 600 37.234 -4.895 -1.627 1.00 0.00 C ATOM 1033 O TYR A 600 38.008 -5.114 -2.556 1.00 0.00 O ATOM 1034 CB TYR A 600 37.089 -6.355 0.467 1.00 0.00 C ATOM 1035 CG TYR A 600 37.256 -7.612 -0.368 1.00 0.00 C ATOM 1036 CD1 TYR A 600 38.421 -8.391 -0.230 1.00 0.00 C ATOM 1037 CD2 TYR A 600 36.256 -7.993 -1.288 1.00 0.00 C ATOM 1038 CE1 TYR A 600 38.601 -9.534 -1.032 1.00 0.00 C ATOM 1039 CE2 TYR A 600 36.436 -9.140 -2.082 1.00 0.00 C ATOM 1040 CZ TYR A 600 37.608 -9.910 -1.960 1.00 0.00 C ATOM 1041 OH TYR A 600 37.769 -11.018 -2.731 1.00 0.00 O ATOM 0 H TYR A 600 36.818 -4.188 1.482 1.00 0.00 H new ATOM 0 HA TYR A 600 38.787 -5.222 -0.227 1.00 0.00 H new ATOM 0 HB2 TYR A 600 37.545 -6.516 1.444 1.00 0.00 H new ATOM 0 HB3 TYR A 600 36.026 -6.181 0.636 1.00 0.00 H new ATOM 0 HD1 TYR A 600 39.176 -8.112 0.490 1.00 0.00 H new ATOM 0 HD2 TYR A 600 35.355 -7.405 -1.382 1.00 0.00 H new ATOM 0 HE1 TYR A 600 39.501 -10.124 -0.936 1.00 0.00 H new ATOM 0 HE2 TYR A 600 35.672 -9.431 -2.788 1.00 0.00 H new ATOM 0 HH TYR A 600 36.988 -11.128 -3.313 1.00 0.00 H new ATOM 1051 N HIS A 601 36.009 -4.400 -1.827 1.00 0.00 N ATOM 1052 CA HIS A 601 35.424 -4.169 -3.158 1.00 0.00 C ATOM 1053 C HIS A 601 36.189 -3.141 -4.010 1.00 0.00 C ATOM 1054 O HIS A 601 36.417 -3.370 -5.198 1.00 0.00 O ATOM 1055 CB HIS A 601 33.962 -3.753 -2.970 1.00 0.00 C ATOM 1056 CG HIS A 601 33.224 -3.461 -4.249 1.00 0.00 C ATOM 1057 ND1 HIS A 601 32.800 -4.415 -5.181 1.00 0.00 N ATOM 1058 CD2 HIS A 601 32.817 -2.227 -4.664 1.00 0.00 C ATOM 1059 CE1 HIS A 601 32.145 -3.732 -6.135 1.00 0.00 C ATOM 1060 NE2 HIS A 601 32.146 -2.416 -5.853 1.00 0.00 N ATOM 0 H HIS A 601 35.385 -4.144 -1.062 1.00 0.00 H new ATOM 0 HA HIS A 601 35.495 -5.100 -3.721 1.00 0.00 H new ATOM 0 HB2 HIS A 601 33.438 -4.546 -2.437 1.00 0.00 H new ATOM 0 HB3 HIS A 601 33.929 -2.867 -2.336 1.00 0.00 H new ATOM 0 HD2 HIS A 601 32.987 -1.287 -4.160 1.00 0.00 H new ATOM 0 HE1 HIS A 601 31.683 -4.176 -7.005 1.00 0.00 H new ATOM 0 HE2 HIS A 601 31.722 -1.683 -6.422 1.00 0.00 H new ATOM 1068 N GLU A 602 36.623 -2.026 -3.418 1.00 0.00 N ATOM 1069 CA GLU A 602 37.416 -0.999 -4.111 1.00 0.00 C ATOM 1070 C GLU A 602 38.914 -1.344 -4.236 1.00 0.00 C ATOM 1071 O GLU A 602 39.554 -0.938 -5.208 1.00 0.00 O ATOM 1072 CB GLU A 602 37.245 0.358 -3.397 1.00 0.00 C ATOM 1073 CG GLU A 602 35.848 0.973 -3.590 1.00 0.00 C ATOM 1074 CD GLU A 602 35.541 1.325 -5.065 1.00 0.00 C ATOM 1075 OE1 GLU A 602 34.464 0.932 -5.571 1.00 0.00 O ATOM 1076 OE2 GLU A 602 36.361 2.004 -5.731 1.00 0.00 O ATOM 0 H GLU A 602 36.435 -1.806 -2.440 1.00 0.00 H new ATOM 0 HA GLU A 602 37.032 -0.948 -5.130 1.00 0.00 H new ATOM 0 HB2 GLU A 602 37.433 0.227 -2.331 1.00 0.00 H new ATOM 0 HB3 GLU A 602 37.996 1.054 -3.770 1.00 0.00 H new ATOM 0 HG2 GLU A 602 35.096 0.274 -3.225 1.00 0.00 H new ATOM 0 HG3 GLU A 602 35.767 1.874 -2.983 1.00 0.00 H new ATOM 1083 N THR A 603 39.490 -2.086 -3.279 1.00 0.00 N ATOM 1084 CA THR A 603 40.951 -2.334 -3.199 1.00 0.00 C ATOM 1085 C THR A 603 41.384 -3.631 -3.883 1.00 0.00 C ATOM 1086 O THR A 603 42.372 -3.649 -4.620 1.00 0.00 O ATOM 1087 CB THR A 603 41.432 -2.335 -1.734 1.00 0.00 C ATOM 1088 OG1 THR A 603 41.127 -1.091 -1.136 1.00 0.00 O ATOM 1089 CG2 THR A 603 42.943 -2.526 -1.584 1.00 0.00 C ATOM 0 H THR A 603 38.960 -2.536 -2.532 1.00 0.00 H new ATOM 0 HA THR A 603 41.420 -1.512 -3.740 1.00 0.00 H new ATOM 0 HB THR A 603 40.922 -3.173 -1.258 1.00 0.00 H new ATOM 0 HG1 THR A 603 40.218 -1.118 -0.770 1.00 0.00 H new ATOM 0 HG21 THR A 603 43.208 -2.516 -0.527 1.00 0.00 H new ATOM 0 HG22 THR A 603 43.234 -3.481 -2.022 1.00 0.00 H new ATOM 0 HG23 THR A 603 43.465 -1.718 -2.096 1.00 0.00 H new