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 155:sc= 0.393 USER MOD Set 1.2: A 567 CYS SG : rot -60:sc= -0.844 USER MOD Set 1.3: A 586 ASN : amide:sc= 0.313 K(o=0.39,f=-5.2!) USER MOD Set 1.4: A 596 HIS : no HD1:sc= 0.387 K(o=0.39,f=-1.1) USER MOD Set 1.5: A 598 THR OG1 : rot 180:sc= 0.465 USER MOD Set 1.6: A 599 CYS SG : rot 137:sc= -0.322 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 180:sc= 0 USER MOD Single : A 558 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 560 MET CE :methyl 160:sc= -0.287 (180deg=-0.903) USER MOD Single : A 563 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 568 LYS NZ :NH3+ 178:sc= 1.26 (180deg=1.13) 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 64:sc= 0.541 USER MOD Single : A 591 ASN : amide:sc=-0.00184 X(o=-0.0018,f=-0.28) USER MOD Single : A 593 LYS NZ :NH3+ -158:sc= 0.94 (180deg=0.635) USER MOD Single : A 594 TYR OH : rot 180:sc= 0 USER MOD Single : A 597 SER OG : rot 153:sc= 1.05 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=-0.0075) USER MOD Single : A 603 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 184 N ILE A 546 26.843 -2.607 -0.566 1.00 0.00 N ATOM 185 CA ILE A 546 28.106 -3.023 0.060 1.00 0.00 C ATOM 186 C ILE A 546 28.090 -2.710 1.567 1.00 0.00 C ATOM 187 O ILE A 546 28.564 -3.518 2.371 1.00 0.00 O ATOM 188 CB ILE A 546 29.303 -2.365 -0.673 1.00 0.00 C ATOM 189 CG1 ILE A 546 29.400 -2.769 -2.169 1.00 0.00 C ATOM 190 CG2 ILE A 546 30.629 -2.683 0.027 1.00 0.00 C ATOM 191 CD1 ILE A 546 29.781 -4.229 -2.447 1.00 0.00 C ATOM 0 HA ILE A 546 28.222 -4.103 -0.035 1.00 0.00 H new ATOM 0 HB ILE A 546 29.116 -1.292 -0.632 1.00 0.00 H new ATOM 0 HG12 ILE A 546 28.439 -2.568 -2.642 1.00 0.00 H new ATOM 0 HG13 ILE A 546 30.134 -2.124 -2.652 1.00 0.00 H new ATOM 0 HG21 ILE A 546 31.448 -2.207 -0.512 1.00 0.00 H new ATOM 0 HG22 ILE A 546 30.600 -2.307 1.050 1.00 0.00 H new ATOM 0 HG23 ILE A 546 30.783 -3.762 0.042 1.00 0.00 H new ATOM 0 HD11 ILE A 546 29.819 -4.397 -3.523 1.00 0.00 H new ATOM 0 HD12 ILE A 546 30.758 -4.439 -2.013 1.00 0.00 H new ATOM 0 HD13 ILE A 546 29.037 -4.890 -2.003 1.00 0.00 H new ATOM 203 N ARG A 547 27.464 -1.592 1.970 1.00 0.00 N ATOM 204 CA ARG A 547 27.298 -1.196 3.385 1.00 0.00 C ATOM 205 C ARG A 547 26.242 -2.024 4.124 1.00 0.00 C ATOM 206 O ARG A 547 26.299 -2.136 5.349 1.00 0.00 O ATOM 207 CB ARG A 547 26.981 0.310 3.480 1.00 0.00 C ATOM 208 CG ARG A 547 28.216 1.166 3.154 1.00 0.00 C ATOM 209 CD ARG A 547 27.887 2.661 3.184 1.00 0.00 C ATOM 210 NE ARG A 547 29.067 3.461 2.807 1.00 0.00 N ATOM 211 CZ ARG A 547 29.140 4.776 2.745 1.00 0.00 C ATOM 212 NH1 ARG A 547 28.140 5.550 3.067 1.00 0.00 N ATOM 213 NH2 ARG A 547 30.241 5.343 2.349 1.00 0.00 N ATOM 0 H ARG A 547 27.052 -0.926 1.316 1.00 0.00 H new ATOM 0 HA ARG A 547 28.245 -1.400 3.885 1.00 0.00 H new ATOM 0 HB2 ARG A 547 26.173 0.557 2.791 1.00 0.00 H new ATOM 0 HB3 ARG A 547 26.628 0.546 4.484 1.00 0.00 H new ATOM 0 HG2 ARG A 547 29.008 0.952 3.872 1.00 0.00 H new ATOM 0 HG3 ARG A 547 28.597 0.896 2.169 1.00 0.00 H new ATOM 0 HD2 ARG A 547 27.065 2.871 2.500 1.00 0.00 H new ATOM 0 HD3 ARG A 547 27.552 2.945 4.182 1.00 0.00 H new ATOM 0 HE ARG A 547 29.914 2.944 2.570 1.00 0.00 H new ATOM 0 HH11 ARG A 547 27.260 5.142 3.381 1.00 0.00 H new ATOM 0 HH12 ARG A 547 28.239 6.563 3.005 1.00 0.00 H new ATOM 0 HH21 ARG A 547 31.044 4.771 2.088 1.00 0.00 H new ATOM 0 HH22 ARG A 547 30.302 6.360 2.300 1.00 0.00 H new ATOM 227 N GLY A 548 25.304 -2.637 3.392 1.00 0.00 N ATOM 228 CA GLY A 548 24.288 -3.550 3.930 1.00 0.00 C ATOM 229 C GLY A 548 24.813 -4.929 4.359 1.00 0.00 C ATOM 230 O GLY A 548 24.105 -5.659 5.057 1.00 0.00 O ATOM 0 H GLY A 548 25.229 -2.508 2.383 1.00 0.00 H new ATOM 0 HA2 GLY A 548 23.814 -3.076 4.789 1.00 0.00 H new ATOM 0 HA3 GLY A 548 23.513 -3.692 3.176 1.00 0.00 H new ATOM 234 N LYS A 549 26.045 -5.291 3.966 1.00 0.00 N ATOM 235 CA LYS A 549 26.702 -6.553 4.357 1.00 0.00 C ATOM 236 C LYS A 549 27.064 -6.572 5.848 1.00 0.00 C ATOM 237 O LYS A 549 27.497 -5.553 6.400 1.00 0.00 O ATOM 238 CB LYS A 549 27.964 -6.799 3.501 1.00 0.00 C ATOM 239 CG LYS A 549 27.726 -6.818 1.981 1.00 0.00 C ATOM 240 CD LYS A 549 26.727 -7.888 1.521 1.00 0.00 C ATOM 241 CE LYS A 549 26.616 -7.838 -0.009 1.00 0.00 C ATOM 242 NZ LYS A 549 25.696 -8.880 -0.535 1.00 0.00 N ATOM 0 H LYS A 549 26.622 -4.709 3.359 1.00 0.00 H new ATOM 0 HA LYS A 549 25.988 -7.357 4.178 1.00 0.00 H new ATOM 0 HB2 LYS A 549 28.696 -6.024 3.729 1.00 0.00 H new ATOM 0 HB3 LYS A 549 28.405 -7.751 3.796 1.00 0.00 H new ATOM 0 HG2 LYS A 549 27.364 -5.839 1.668 1.00 0.00 H new ATOM 0 HG3 LYS A 549 28.678 -6.983 1.476 1.00 0.00 H new ATOM 0 HD2 LYS A 549 27.057 -8.876 1.843 1.00 0.00 H new ATOM 0 HD3 LYS A 549 25.752 -7.714 1.976 1.00 0.00 H new ATOM 0 HE2 LYS A 549 26.262 -6.854 -0.315 1.00 0.00 H new ATOM 0 HE3 LYS A 549 27.604 -7.972 -0.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 549 25.650 -8.811 -1.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 549 26.047 -9.821 -0.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 549 24.746 -8.738 -0.136 1.00 0.00 H new ATOM 256 N TYR A 550 26.936 -7.733 6.489 1.00 0.00 N ATOM 257 CA TYR A 550 27.359 -7.970 7.876 1.00 0.00 C ATOM 258 C TYR A 550 27.742 -9.430 8.134 1.00 0.00 C ATOM 259 O TYR A 550 27.380 -10.334 7.379 1.00 0.00 O ATOM 260 CB TYR A 550 26.278 -7.525 8.884 1.00 0.00 C ATOM 261 CG TYR A 550 24.952 -8.257 8.788 1.00 0.00 C ATOM 262 CD1 TYR A 550 24.749 -9.459 9.500 1.00 0.00 C ATOM 263 CD2 TYR A 550 23.923 -7.738 7.977 1.00 0.00 C ATOM 264 CE1 TYR A 550 23.523 -10.146 9.392 1.00 0.00 C ATOM 265 CE2 TYR A 550 22.701 -8.422 7.860 1.00 0.00 C ATOM 266 CZ TYR A 550 22.499 -9.629 8.568 1.00 0.00 C ATOM 267 OH TYR A 550 21.320 -10.313 8.447 1.00 0.00 O ATOM 0 H TYR A 550 26.526 -8.558 6.051 1.00 0.00 H new ATOM 0 HA TYR A 550 28.251 -7.361 8.024 1.00 0.00 H new ATOM 0 HB2 TYR A 550 26.672 -7.654 9.892 1.00 0.00 H new ATOM 0 HB3 TYR A 550 26.095 -6.459 8.747 1.00 0.00 H new ATOM 0 HD1 TYR A 550 25.534 -9.853 10.128 1.00 0.00 H new ATOM 0 HD2 TYR A 550 24.074 -6.811 7.443 1.00 0.00 H new ATOM 0 HE1 TYR A 550 23.367 -11.065 9.938 1.00 0.00 H new ATOM 0 HE2 TYR A 550 21.918 -8.026 7.230 1.00 0.00 H new ATOM 0 HH TYR A 550 20.719 -9.825 7.846 1.00 0.00 H new ATOM 277 N VAL A 551 28.433 -9.653 9.258 1.00 0.00 N ATOM 278 CA VAL A 551 28.739 -10.965 9.852 1.00 0.00 C ATOM 279 C VAL A 551 28.368 -10.940 11.342 1.00 0.00 C ATOM 280 O VAL A 551 28.552 -9.920 12.004 1.00 0.00 O ATOM 281 CB VAL A 551 30.211 -11.372 9.628 1.00 0.00 C ATOM 282 CG1 VAL A 551 30.454 -11.757 8.164 1.00 0.00 C ATOM 283 CG2 VAL A 551 31.234 -10.302 10.009 1.00 0.00 C ATOM 0 H VAL A 551 28.815 -8.884 9.809 1.00 0.00 H new ATOM 0 HA VAL A 551 28.142 -11.728 9.352 1.00 0.00 H new ATOM 0 HB VAL A 551 30.361 -12.221 10.296 1.00 0.00 H new ATOM 0 HG11 VAL A 551 31.498 -12.040 8.031 1.00 0.00 H new ATOM 0 HG12 VAL A 551 29.813 -12.598 7.898 1.00 0.00 H new ATOM 0 HG13 VAL A 551 30.223 -10.907 7.521 1.00 0.00 H new ATOM 0 HG21 VAL A 551 32.240 -10.676 9.818 1.00 0.00 H new ATOM 0 HG22 VAL A 551 31.061 -9.405 9.414 1.00 0.00 H new ATOM 0 HG23 VAL A 551 31.131 -10.061 11.067 1.00 0.00 H new ATOM 293 N VAL A 552 27.790 -12.016 11.886 1.00 0.00 N ATOM 294 CA VAL A 552 27.317 -12.047 13.288 1.00 0.00 C ATOM 295 C VAL A 552 28.497 -12.101 14.270 1.00 0.00 C ATOM 296 O VAL A 552 29.465 -12.846 14.065 1.00 0.00 O ATOM 297 CB VAL A 552 26.267 -13.169 13.511 1.00 0.00 C ATOM 298 CG1 VAL A 552 26.854 -14.584 13.468 1.00 0.00 C ATOM 299 CG2 VAL A 552 25.500 -13.007 14.827 1.00 0.00 C ATOM 0 H VAL A 552 27.634 -12.887 11.378 1.00 0.00 H new ATOM 0 HA VAL A 552 26.795 -11.113 13.496 1.00 0.00 H new ATOM 0 HB VAL A 552 25.584 -13.053 12.670 1.00 0.00 H new ATOM 0 HG11 VAL A 552 26.060 -15.312 13.632 1.00 0.00 H new ATOM 0 HG12 VAL A 552 27.311 -14.759 12.494 1.00 0.00 H new ATOM 0 HG13 VAL A 552 27.609 -14.689 14.247 1.00 0.00 H new ATOM 0 HG21 VAL A 552 24.780 -13.819 14.931 1.00 0.00 H new ATOM 0 HG22 VAL A 552 26.200 -13.034 15.662 1.00 0.00 H new ATOM 0 HG23 VAL A 552 24.974 -12.053 14.826 1.00 0.00 H new ATOM 309 N VAL A 553 28.423 -11.317 15.351 1.00 0.00 N ATOM 310 CA VAL A 553 29.364 -11.376 16.478 1.00 0.00 C ATOM 311 C VAL A 553 28.908 -12.488 17.438 1.00 0.00 C ATOM 312 O VAL A 553 27.784 -12.423 17.951 1.00 0.00 O ATOM 313 CB VAL A 553 29.458 -10.044 17.264 1.00 0.00 C ATOM 314 CG1 VAL A 553 30.661 -10.138 18.205 1.00 0.00 C ATOM 315 CG2 VAL A 553 29.650 -8.807 16.397 1.00 0.00 C ATOM 0 H VAL A 553 27.696 -10.612 15.471 1.00 0.00 H new ATOM 0 HA VAL A 553 30.353 -11.576 16.067 1.00 0.00 H new ATOM 0 HB VAL A 553 28.506 -9.922 17.780 1.00 0.00 H new ATOM 0 HG11 VAL A 553 30.752 -9.212 18.773 1.00 0.00 H new ATOM 0 HG12 VAL A 553 30.521 -10.973 18.892 1.00 0.00 H new ATOM 0 HG13 VAL A 553 31.568 -10.297 17.621 1.00 0.00 H new ATOM 0 HG21 VAL A 553 29.705 -7.923 17.032 1.00 0.00 H new ATOM 0 HG22 VAL A 553 30.574 -8.902 15.827 1.00 0.00 H new ATOM 0 HG23 VAL A 553 28.809 -8.709 15.711 1.00 0.00 H new ATOM 325 N PRO A 554 29.724 -13.525 17.703 1.00 0.00 N ATOM 326 CA PRO A 554 29.370 -14.591 18.643 1.00 0.00 C ATOM 327 C PRO A 554 29.446 -14.126 20.108 1.00 0.00 C ATOM 328 O PRO A 554 30.201 -13.214 20.449 1.00 0.00 O ATOM 329 CB PRO A 554 30.367 -15.714 18.347 1.00 0.00 C ATOM 330 CG PRO A 554 31.625 -14.953 17.930 1.00 0.00 C ATOM 331 CD PRO A 554 31.059 -13.754 17.161 1.00 0.00 C ATOM 0 HA PRO A 554 28.337 -14.916 18.515 1.00 0.00 H new ATOM 0 HB2 PRO A 554 30.544 -16.338 19.223 1.00 0.00 H new ATOM 0 HB3 PRO A 554 30.011 -16.371 17.554 1.00 0.00 H new ATOM 0 HG2 PRO A 554 32.212 -14.639 18.793 1.00 0.00 H new ATOM 0 HG3 PRO A 554 32.278 -15.563 17.305 1.00 0.00 H new ATOM 0 HD2 PRO A 554 31.689 -12.874 17.291 1.00 0.00 H new ATOM 0 HD3 PRO A 554 31.016 -13.961 16.092 1.00 0.00 H new ATOM 339 N GLU A 555 28.720 -14.802 21.003 1.00 0.00 N ATOM 340 CA GLU A 555 28.777 -14.535 22.460 1.00 0.00 C ATOM 341 C GLU A 555 30.186 -14.769 23.054 1.00 0.00 C ATOM 342 O GLU A 555 30.554 -14.157 24.060 1.00 0.00 O ATOM 343 CB GLU A 555 27.707 -15.412 23.147 1.00 0.00 C ATOM 344 CG GLU A 555 27.601 -15.175 24.658 1.00 0.00 C ATOM 345 CD GLU A 555 26.343 -15.815 25.289 1.00 0.00 C ATOM 346 OE1 GLU A 555 25.989 -16.969 24.950 1.00 0.00 O ATOM 347 OE2 GLU A 555 25.707 -15.176 26.166 1.00 0.00 O ATOM 0 H GLU A 555 28.075 -15.550 20.748 1.00 0.00 H new ATOM 0 HA GLU A 555 28.566 -13.481 22.641 1.00 0.00 H new ATOM 0 HB2 GLU A 555 26.738 -15.216 22.688 1.00 0.00 H new ATOM 0 HB3 GLU A 555 27.939 -16.462 22.967 1.00 0.00 H new ATOM 0 HG2 GLU A 555 28.489 -15.578 25.145 1.00 0.00 H new ATOM 0 HG3 GLU A 555 27.590 -14.102 24.851 1.00 0.00 H new ATOM 354 N THR A 556 31.009 -15.607 22.405 1.00 0.00 N ATOM 355 CA THR A 556 32.413 -15.890 22.777 1.00 0.00 C ATOM 356 C THR A 556 33.388 -14.758 22.447 1.00 0.00 C ATOM 357 O THR A 556 34.471 -14.699 23.037 1.00 0.00 O ATOM 358 CB THR A 556 32.891 -17.199 22.114 1.00 0.00 C ATOM 359 OG1 THR A 556 32.764 -17.142 20.710 1.00 0.00 O ATOM 360 CG2 THR A 556 32.082 -18.408 22.593 1.00 0.00 C ATOM 0 H THR A 556 30.710 -16.126 21.579 1.00 0.00 H new ATOM 0 HA THR A 556 32.415 -15.990 23.862 1.00 0.00 H new ATOM 0 HB THR A 556 33.937 -17.311 22.399 1.00 0.00 H new ATOM 0 HG1 THR A 556 33.076 -17.985 20.319 1.00 0.00 H new ATOM 0 HG21 THR A 556 32.450 -19.309 22.103 1.00 0.00 H new ATOM 0 HG22 THR A 556 32.189 -18.513 23.673 1.00 0.00 H new ATOM 0 HG23 THR A 556 31.030 -18.264 22.345 1.00 0.00 H new ATOM 368 N SER A 557 33.035 -13.838 21.535 1.00 0.00 N ATOM 369 CA SER A 557 33.824 -12.628 21.248 1.00 0.00 C ATOM 370 C SER A 557 33.642 -11.594 22.365 1.00 0.00 C ATOM 371 O SER A 557 32.687 -10.816 22.359 1.00 0.00 O ATOM 372 CB SER A 557 33.459 -12.056 19.875 1.00 0.00 C ATOM 373 OG SER A 557 34.161 -12.749 18.862 1.00 0.00 O ATOM 0 H SER A 557 32.188 -13.913 20.972 1.00 0.00 H new ATOM 0 HA SER A 557 34.880 -12.896 21.216 1.00 0.00 H new ATOM 0 HB2 SER A 557 32.385 -12.142 19.709 1.00 0.00 H new ATOM 0 HB3 SER A 557 33.703 -10.994 19.837 1.00 0.00 H new ATOM 0 HG SER A 557 33.922 -12.379 17.987 1.00 0.00 H new ATOM 379 N GLN A 558 34.572 -11.595 23.324 1.00 0.00 N ATOM 380 CA GLN A 558 34.494 -10.850 24.587 1.00 0.00 C ATOM 381 C GLN A 558 34.330 -9.332 24.409 1.00 0.00 C ATOM 382 O GLN A 558 33.512 -8.711 25.093 1.00 0.00 O ATOM 383 CB GLN A 558 35.760 -11.141 25.421 1.00 0.00 C ATOM 384 CG GLN A 558 35.957 -12.636 25.754 1.00 0.00 C ATOM 385 CD GLN A 558 37.129 -12.890 26.704 1.00 0.00 C ATOM 386 OE1 GLN A 558 37.014 -13.606 27.693 1.00 0.00 O ATOM 387 NE2 GLN A 558 38.299 -12.326 26.467 1.00 0.00 N ATOM 0 H GLN A 558 35.433 -12.135 23.240 1.00 0.00 H new ATOM 0 HA GLN A 558 33.594 -11.192 25.098 1.00 0.00 H new ATOM 0 HB2 GLN A 558 36.633 -10.782 24.876 1.00 0.00 H new ATOM 0 HB3 GLN A 558 35.709 -10.575 26.351 1.00 0.00 H new ATOM 0 HG2 GLN A 558 35.043 -13.026 26.202 1.00 0.00 H new ATOM 0 HG3 GLN A 558 36.120 -13.190 24.829 1.00 0.00 H new ATOM 0 HE21 GLN A 558 38.420 -11.726 25.651 1.00 0.00 H new ATOM 0 HE22 GLN A 558 39.082 -12.490 27.100 1.00 0.00 H new ATOM 396 N ASP A 559 35.077 -8.730 23.479 1.00 0.00 N ATOM 397 CA ASP A 559 35.092 -7.278 23.239 1.00 0.00 C ATOM 398 C ASP A 559 34.138 -6.812 22.116 1.00 0.00 C ATOM 399 O ASP A 559 33.918 -5.609 21.967 1.00 0.00 O ATOM 400 CB ASP A 559 36.537 -6.836 22.921 1.00 0.00 C ATOM 401 CG ASP A 559 37.566 -7.171 24.018 1.00 0.00 C ATOM 402 OD1 ASP A 559 37.256 -7.033 25.228 1.00 0.00 O ATOM 403 OD2 ASP A 559 38.718 -7.529 23.667 1.00 0.00 O ATOM 0 H ASP A 559 35.701 -9.245 22.858 1.00 0.00 H new ATOM 0 HA ASP A 559 34.727 -6.805 24.151 1.00 0.00 H new ATOM 0 HB2 ASP A 559 36.851 -7.308 21.990 1.00 0.00 H new ATOM 0 HB3 ASP A 559 36.545 -5.759 22.751 1.00 0.00 H new ATOM 408 N MET A 560 33.594 -7.742 21.320 1.00 0.00 N ATOM 409 CA MET A 560 32.817 -7.489 20.090 1.00 0.00 C ATOM 410 C MET A 560 33.521 -6.553 19.093 1.00 0.00 C ATOM 411 O MET A 560 32.868 -5.829 18.335 1.00 0.00 O ATOM 412 CB MET A 560 31.372 -7.055 20.402 1.00 0.00 C ATOM 413 CG MET A 560 30.668 -8.096 21.272 1.00 0.00 C ATOM 414 SD MET A 560 28.868 -7.920 21.372 1.00 0.00 S ATOM 415 CE MET A 560 28.384 -9.656 21.227 1.00 0.00 C ATOM 0 H MET A 560 33.685 -8.738 21.521 1.00 0.00 H new ATOM 0 HA MET A 560 32.756 -8.447 19.574 1.00 0.00 H new ATOM 0 HB2 MET A 560 31.379 -6.092 20.913 1.00 0.00 H new ATOM 0 HB3 MET A 560 30.820 -6.918 19.472 1.00 0.00 H new ATOM 0 HG2 MET A 560 30.900 -9.088 20.884 1.00 0.00 H new ATOM 0 HG3 MET A 560 31.080 -8.043 22.280 1.00 0.00 H new ATOM 0 HE1 MET A 560 27.373 -9.786 21.615 1.00 0.00 H new ATOM 0 HE2 MET A 560 28.412 -9.955 20.179 1.00 0.00 H new ATOM 0 HE3 MET A 560 29.074 -10.275 21.800 1.00 0.00 H new ATOM 425 N ALA A 561 34.856 -6.582 19.061 1.00 0.00 N ATOM 426 CA ALA A 561 35.698 -5.742 18.214 1.00 0.00 C ATOM 427 C ALA A 561 36.716 -6.566 17.403 1.00 0.00 C ATOM 428 O ALA A 561 37.200 -7.604 17.865 1.00 0.00 O ATOM 429 CB ALA A 561 36.365 -4.660 19.066 1.00 0.00 C ATOM 0 H ALA A 561 35.398 -7.216 19.648 1.00 0.00 H new ATOM 0 HA ALA A 561 35.066 -5.252 17.473 1.00 0.00 H new ATOM 0 HB1 ALA A 561 36.993 -4.034 18.432 1.00 0.00 H new ATOM 0 HB2 ALA A 561 35.599 -4.045 19.538 1.00 0.00 H new ATOM 0 HB3 ALA A 561 36.979 -5.129 19.835 1.00 0.00 H new ATOM 435 N PHE A 562 37.058 -6.079 16.211 1.00 0.00 N ATOM 436 CA PHE A 562 38.068 -6.662 15.313 1.00 0.00 C ATOM 437 C PHE A 562 38.705 -5.554 14.458 1.00 0.00 C ATOM 438 O PHE A 562 38.219 -4.423 14.474 1.00 0.00 O ATOM 439 CB PHE A 562 37.422 -7.770 14.456 1.00 0.00 C ATOM 440 CG PHE A 562 38.319 -8.978 14.275 1.00 0.00 C ATOM 441 CD1 PHE A 562 38.299 -10.007 15.232 1.00 0.00 C ATOM 442 CD2 PHE A 562 39.197 -9.063 13.178 1.00 0.00 C ATOM 443 CE1 PHE A 562 39.148 -11.119 15.092 1.00 0.00 C ATOM 444 CE2 PHE A 562 40.059 -10.167 13.042 1.00 0.00 C ATOM 445 CZ PHE A 562 40.030 -11.196 14.001 1.00 0.00 C ATOM 0 H PHE A 562 36.628 -5.238 15.826 1.00 0.00 H new ATOM 0 HA PHE A 562 38.867 -7.123 15.893 1.00 0.00 H new ATOM 0 HB2 PHE A 562 36.488 -8.084 14.922 1.00 0.00 H new ATOM 0 HB3 PHE A 562 37.168 -7.363 13.477 1.00 0.00 H new ATOM 0 HD1 PHE A 562 37.630 -9.943 16.077 1.00 0.00 H new ATOM 0 HD2 PHE A 562 39.209 -8.277 12.437 1.00 0.00 H new ATOM 0 HE1 PHE A 562 39.122 -11.914 15.823 1.00 0.00 H new ATOM 0 HE2 PHE A 562 40.740 -10.224 12.205 1.00 0.00 H new ATOM 0 HZ PHE A 562 40.687 -12.047 13.898 1.00 0.00 H new ATOM 455 N LYS A 563 39.761 -5.841 13.692 1.00 0.00 N ATOM 456 CA LYS A 563 40.423 -4.849 12.818 1.00 0.00 C ATOM 457 C LYS A 563 40.380 -5.183 11.321 1.00 0.00 C ATOM 458 O LYS A 563 40.252 -6.344 10.934 1.00 0.00 O ATOM 459 CB LYS A 563 41.804 -4.434 13.396 1.00 0.00 C ATOM 460 CG LYS A 563 43.062 -4.731 12.559 1.00 0.00 C ATOM 461 CD LYS A 563 43.454 -6.211 12.431 1.00 0.00 C ATOM 462 CE LYS A 563 43.881 -6.789 13.787 1.00 0.00 C ATOM 463 NZ LYS A 563 44.351 -8.196 13.664 1.00 0.00 N ATOM 0 H LYS A 563 40.187 -6.767 13.655 1.00 0.00 H new ATOM 0 HA LYS A 563 39.820 -3.941 12.836 1.00 0.00 H new ATOM 0 HB2 LYS A 563 41.776 -3.361 13.586 1.00 0.00 H new ATOM 0 HB3 LYS A 563 41.922 -4.926 14.361 1.00 0.00 H new ATOM 0 HG2 LYS A 563 42.911 -4.328 11.558 1.00 0.00 H new ATOM 0 HG3 LYS A 563 43.901 -4.190 12.997 1.00 0.00 H new ATOM 0 HD2 LYS A 563 42.612 -6.781 12.038 1.00 0.00 H new ATOM 0 HD3 LYS A 563 44.270 -6.314 11.715 1.00 0.00 H new ATOM 0 HE2 LYS A 563 44.677 -6.175 14.209 1.00 0.00 H new ATOM 0 HE3 LYS A 563 43.042 -6.745 14.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 563 44.631 -8.552 14.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 563 43.584 -8.786 13.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 563 45.168 -8.234 13.021 1.00 0.00 H new ATOM 477 N CYS A 564 40.516 -4.140 10.499 1.00 0.00 N ATOM 478 CA CYS A 564 40.719 -4.158 9.059 1.00 0.00 C ATOM 479 C CYS A 564 42.213 -3.983 8.736 1.00 0.00 C ATOM 480 O CYS A 564 42.722 -2.869 8.919 1.00 0.00 O ATOM 481 CB CYS A 564 39.943 -2.981 8.458 1.00 0.00 C ATOM 482 SG CYS A 564 39.893 -3.131 6.637 1.00 0.00 S ATOM 0 H CYS A 564 40.483 -3.186 10.859 1.00 0.00 H new ATOM 0 HA CYS A 564 40.374 -5.107 8.647 1.00 0.00 H new ATOM 0 HB2 CYS A 564 38.929 -2.961 8.858 1.00 0.00 H new ATOM 0 HB3 CYS A 564 40.416 -2.040 8.741 1.00 0.00 H new ATOM 0 HG CYS A 564 38.854 -2.499 6.178 1.00 0.00 H new ATOM 487 N PRO A 565 42.920 -5.029 8.253 1.00 0.00 N ATOM 488 CA PRO A 565 44.311 -4.919 7.811 1.00 0.00 C ATOM 489 C PRO A 565 44.547 -3.975 6.623 1.00 0.00 C ATOM 490 O PRO A 565 45.683 -3.547 6.420 1.00 0.00 O ATOM 491 CB PRO A 565 44.747 -6.346 7.459 1.00 0.00 C ATOM 492 CG PRO A 565 43.818 -7.231 8.284 1.00 0.00 C ATOM 493 CD PRO A 565 42.520 -6.434 8.313 1.00 0.00 C ATOM 0 HA PRO A 565 44.897 -4.471 8.613 1.00 0.00 H new ATOM 0 HB2 PRO A 565 44.643 -6.543 6.392 1.00 0.00 H new ATOM 0 HB3 PRO A 565 45.793 -6.518 7.714 1.00 0.00 H new ATOM 0 HG2 PRO A 565 43.680 -8.210 7.825 1.00 0.00 H new ATOM 0 HG3 PRO A 565 44.209 -7.402 9.287 1.00 0.00 H new ATOM 0 HD2 PRO A 565 41.880 -6.696 7.470 1.00 0.00 H new ATOM 0 HD3 PRO A 565 41.953 -6.642 9.220 1.00 0.00 H new ATOM 501 N ILE A 566 43.516 -3.641 5.830 1.00 0.00 N ATOM 502 CA ILE A 566 43.655 -2.762 4.651 1.00 0.00 C ATOM 503 C ILE A 566 43.847 -1.300 5.082 1.00 0.00 C ATOM 504 O ILE A 566 44.891 -0.705 4.808 1.00 0.00 O ATOM 505 CB ILE A 566 42.463 -2.936 3.686 1.00 0.00 C ATOM 506 CG1 ILE A 566 42.461 -4.361 3.088 1.00 0.00 C ATOM 507 CG2 ILE A 566 42.493 -1.903 2.541 1.00 0.00 C ATOM 508 CD1 ILE A 566 41.160 -4.766 2.384 1.00 0.00 C ATOM 0 H ILE A 566 42.563 -3.970 5.985 1.00 0.00 H new ATOM 0 HA ILE A 566 44.550 -3.056 4.103 1.00 0.00 H new ATOM 0 HB ILE A 566 41.554 -2.775 4.266 1.00 0.00 H new ATOM 0 HG12 ILE A 566 43.282 -4.441 2.376 1.00 0.00 H new ATOM 0 HG13 ILE A 566 42.661 -5.075 3.887 1.00 0.00 H new ATOM 0 HG21 ILE A 566 41.637 -2.061 1.886 1.00 0.00 H new ATOM 0 HG22 ILE A 566 42.450 -0.897 2.958 1.00 0.00 H new ATOM 0 HG23 ILE A 566 43.414 -2.020 1.970 1.00 0.00 H new ATOM 0 HD11 ILE A 566 41.256 -5.781 1.998 1.00 0.00 H new ATOM 0 HD12 ILE A 566 40.334 -4.724 3.094 1.00 0.00 H new ATOM 0 HD13 ILE A 566 40.964 -4.081 1.559 1.00 0.00 H new ATOM 520 N CYS A 567 42.862 -0.725 5.782 1.00 0.00 N ATOM 521 CA CYS A 567 42.872 0.677 6.216 1.00 0.00 C ATOM 522 C CYS A 567 43.372 0.887 7.666 1.00 0.00 C ATOM 523 O CYS A 567 43.463 2.030 8.127 1.00 0.00 O ATOM 524 CB CYS A 567 41.489 1.290 5.928 1.00 0.00 C ATOM 525 SG CYS A 567 40.199 0.716 7.071 1.00 0.00 S ATOM 0 H CYS A 567 42.022 -1.229 6.067 1.00 0.00 H new ATOM 0 HA CYS A 567 43.618 1.218 5.634 1.00 0.00 H new ATOM 0 HB2 CYS A 567 41.561 2.376 5.987 1.00 0.00 H new ATOM 0 HB3 CYS A 567 41.196 1.045 4.907 1.00 0.00 H new ATOM 0 HG CYS A 567 40.076 -0.574 6.973 1.00 0.00 H new ATOM 530 N LYS A 568 43.724 -0.211 8.350 1.00 0.00 N ATOM 531 CA LYS A 568 44.160 -0.250 9.760 1.00 0.00 C ATOM 532 C LYS A 568 43.093 0.322 10.711 1.00 0.00 C ATOM 533 O LYS A 568 43.412 1.136 11.579 1.00 0.00 O ATOM 534 CB LYS A 568 45.564 0.385 9.924 1.00 0.00 C ATOM 535 CG LYS A 568 46.651 -0.166 8.988 1.00 0.00 C ATOM 536 CD LYS A 568 46.942 -1.664 9.189 1.00 0.00 C ATOM 537 CE LYS A 568 48.187 -2.129 8.413 1.00 0.00 C ATOM 538 NZ LYS A 568 47.996 -2.055 6.938 1.00 0.00 N ATOM 0 H LYS A 568 43.713 -1.136 7.921 1.00 0.00 H new ATOM 0 HA LYS A 568 44.266 -1.293 10.059 1.00 0.00 H new ATOM 0 HB2 LYS A 568 45.479 1.459 9.761 1.00 0.00 H new ATOM 0 HB3 LYS A 568 45.890 0.243 10.954 1.00 0.00 H new ATOM 0 HG2 LYS A 568 46.346 0.000 7.955 1.00 0.00 H new ATOM 0 HG3 LYS A 568 47.571 0.397 9.143 1.00 0.00 H new ATOM 0 HD2 LYS A 568 47.083 -1.865 10.251 1.00 0.00 H new ATOM 0 HD3 LYS A 568 46.078 -2.246 8.867 1.00 0.00 H new ATOM 0 HE2 LYS A 568 49.040 -1.513 8.698 1.00 0.00 H new ATOM 0 HE3 LYS A 568 48.426 -3.155 8.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 48.872 -2.346 6.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 47.221 -2.689 6.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 47.761 -1.079 6.667 1.00 0.00 H new ATOM 552 N GLU A 569 41.824 -0.079 10.539 1.00 0.00 N ATOM 553 CA GLU A 569 40.712 0.461 11.360 1.00 0.00 C ATOM 554 C GLU A 569 39.999 -0.598 12.208 1.00 0.00 C ATOM 555 O GLU A 569 40.097 -1.785 11.919 1.00 0.00 O ATOM 556 CB GLU A 569 39.684 1.181 10.485 1.00 0.00 C ATOM 557 CG GLU A 569 40.109 2.583 10.014 1.00 0.00 C ATOM 558 CD GLU A 569 40.198 3.649 11.133 1.00 0.00 C ATOM 559 OE1 GLU A 569 40.667 4.774 10.839 1.00 0.00 O ATOM 560 OE2 GLU A 569 39.789 3.401 12.293 1.00 0.00 O ATOM 0 H GLU A 569 41.536 -0.770 9.846 1.00 0.00 H new ATOM 0 HA GLU A 569 41.179 1.165 12.049 1.00 0.00 H new ATOM 0 HB2 GLU A 569 39.478 0.566 9.609 1.00 0.00 H new ATOM 0 HB3 GLU A 569 38.750 1.267 11.041 1.00 0.00 H new ATOM 0 HG2 GLU A 569 41.081 2.507 9.527 1.00 0.00 H new ATOM 0 HG3 GLU A 569 39.401 2.927 9.260 1.00 0.00 H new ATOM 567 N THR A 570 39.264 -0.186 13.246 1.00 0.00 N ATOM 568 CA THR A 570 38.542 -1.091 14.154 1.00 0.00 C ATOM 569 C THR A 570 37.037 -1.134 13.863 1.00 0.00 C ATOM 570 O THR A 570 36.380 -0.089 13.827 1.00 0.00 O ATOM 571 CB THR A 570 38.786 -0.689 15.619 1.00 0.00 C ATOM 572 OG1 THR A 570 40.165 -0.656 15.913 1.00 0.00 O ATOM 573 CG2 THR A 570 38.136 -1.623 16.638 1.00 0.00 C ATOM 0 H THR A 570 39.151 0.799 13.485 1.00 0.00 H new ATOM 0 HA THR A 570 38.934 -2.093 13.982 1.00 0.00 H new ATOM 0 HB THR A 570 38.329 0.297 15.708 1.00 0.00 H new ATOM 0 HG1 THR A 570 40.294 -0.396 16.849 1.00 0.00 H new ATOM 0 HG21 THR A 570 38.355 -1.271 17.646 1.00 0.00 H new ATOM 0 HG22 THR A 570 37.057 -1.635 16.484 1.00 0.00 H new ATOM 0 HG23 THR A 570 38.532 -2.631 16.512 1.00 0.00 H new ATOM 581 N VAL A 571 36.480 -2.338 13.686 1.00 0.00 N ATOM 582 CA VAL A 571 35.024 -2.594 13.652 1.00 0.00 C ATOM 583 C VAL A 571 34.506 -2.932 15.049 1.00 0.00 C ATOM 584 O VAL A 571 35.213 -3.552 15.842 1.00 0.00 O ATOM 585 CB VAL A 571 34.611 -3.715 12.688 1.00 0.00 C ATOM 586 CG1 VAL A 571 34.602 -3.234 11.241 1.00 0.00 C ATOM 587 CG2 VAL A 571 35.463 -4.978 12.795 1.00 0.00 C ATOM 0 H VAL A 571 37.036 -3.184 13.559 1.00 0.00 H new ATOM 0 HA VAL A 571 34.577 -1.670 13.285 1.00 0.00 H new ATOM 0 HB VAL A 571 33.601 -3.984 12.997 1.00 0.00 H new ATOM 0 HG11 VAL A 571 34.305 -4.054 10.587 1.00 0.00 H new ATOM 0 HG12 VAL A 571 33.895 -2.411 11.135 1.00 0.00 H new ATOM 0 HG13 VAL A 571 35.600 -2.893 10.965 1.00 0.00 H new ATOM 0 HG21 VAL A 571 35.105 -5.720 12.081 1.00 0.00 H new ATOM 0 HG22 VAL A 571 36.503 -4.735 12.576 1.00 0.00 H new ATOM 0 HG23 VAL A 571 35.390 -5.382 13.805 1.00 0.00 H new ATOM 597 N THR A 572 33.252 -2.583 15.333 1.00 0.00 N ATOM 598 CA THR A 572 32.541 -2.916 16.581 1.00 0.00 C ATOM 599 C THR A 572 31.148 -3.471 16.275 1.00 0.00 C ATOM 600 O THR A 572 30.485 -3.024 15.339 1.00 0.00 O ATOM 601 CB THR A 572 32.441 -1.704 17.528 1.00 0.00 C ATOM 602 OG1 THR A 572 31.849 -0.580 16.899 1.00 0.00 O ATOM 603 CG2 THR A 572 33.814 -1.267 18.038 1.00 0.00 C ATOM 0 H THR A 572 32.679 -2.043 14.685 1.00 0.00 H new ATOM 0 HA THR A 572 33.123 -3.683 17.091 1.00 0.00 H new ATOM 0 HB THR A 572 31.817 -2.039 18.357 1.00 0.00 H new ATOM 0 HG1 THR A 572 31.804 0.164 17.535 1.00 0.00 H new ATOM 0 HG21 THR A 572 33.700 -0.410 18.702 1.00 0.00 H new ATOM 0 HG22 THR A 572 34.278 -2.089 18.583 1.00 0.00 H new ATOM 0 HG23 THR A 572 34.445 -0.990 17.193 1.00 0.00 H new ATOM 611 N GLY A 573 30.712 -4.467 17.051 1.00 0.00 N ATOM 612 CA GLY A 573 29.405 -5.101 16.911 1.00 0.00 C ATOM 613 C GLY A 573 28.239 -4.176 17.258 1.00 0.00 C ATOM 614 O GLY A 573 28.376 -3.278 18.095 1.00 0.00 O ATOM 0 H GLY A 573 31.271 -4.860 17.808 1.00 0.00 H new ATOM 0 HA2 GLY A 573 29.288 -5.451 15.886 1.00 0.00 H new ATOM 0 HA3 GLY A 573 29.365 -5.980 17.555 1.00 0.00 H new ATOM 618 N VAL A 574 27.073 -4.426 16.654 1.00 0.00 N ATOM 619 CA VAL A 574 25.813 -3.697 16.899 1.00 0.00 C ATOM 620 C VAL A 574 24.635 -4.653 17.078 1.00 0.00 C ATOM 621 O VAL A 574 24.478 -5.585 16.297 1.00 0.00 O ATOM 622 CB VAL A 574 25.542 -2.674 15.768 1.00 0.00 C ATOM 623 CG1 VAL A 574 24.246 -1.891 16.001 1.00 0.00 C ATOM 624 CG2 VAL A 574 26.678 -1.656 15.632 1.00 0.00 C ATOM 0 H VAL A 574 26.971 -5.164 15.958 1.00 0.00 H new ATOM 0 HA VAL A 574 25.924 -3.146 17.833 1.00 0.00 H new ATOM 0 HB VAL A 574 25.461 -3.266 14.856 1.00 0.00 H new ATOM 0 HG11 VAL A 574 24.095 -1.185 15.184 1.00 0.00 H new ATOM 0 HG12 VAL A 574 23.405 -2.583 16.042 1.00 0.00 H new ATOM 0 HG13 VAL A 574 24.314 -1.347 16.943 1.00 0.00 H new ATOM 0 HG21 VAL A 574 26.447 -0.958 14.827 1.00 0.00 H new ATOM 0 HG22 VAL A 574 26.789 -1.108 16.567 1.00 0.00 H new ATOM 0 HG23 VAL A 574 27.608 -2.177 15.404 1.00 0.00 H new ATOM 634 N TYR A 575 23.802 -4.454 18.100 1.00 0.00 N ATOM 635 CA TYR A 575 22.728 -5.378 18.465 1.00 0.00 C ATOM 636 C TYR A 575 21.562 -5.415 17.458 1.00 0.00 C ATOM 637 O TYR A 575 20.994 -4.368 17.127 1.00 0.00 O ATOM 638 CB TYR A 575 22.219 -5.032 19.877 1.00 0.00 C ATOM 639 CG TYR A 575 21.168 -5.986 20.424 1.00 0.00 C ATOM 640 CD1 TYR A 575 21.467 -7.354 20.582 1.00 0.00 C ATOM 641 CD2 TYR A 575 19.906 -5.499 20.806 1.00 0.00 C ATOM 642 CE1 TYR A 575 20.507 -8.230 21.119 1.00 0.00 C ATOM 643 CE2 TYR A 575 18.937 -6.376 21.337 1.00 0.00 C ATOM 644 CZ TYR A 575 19.238 -7.748 21.495 1.00 0.00 C ATOM 645 OH TYR A 575 18.325 -8.606 22.029 1.00 0.00 O ATOM 0 H TYR A 575 23.855 -3.635 18.706 1.00 0.00 H new ATOM 0 HA TYR A 575 23.154 -6.381 18.448 1.00 0.00 H new ATOM 0 HB2 TYR A 575 23.068 -5.017 20.561 1.00 0.00 H new ATOM 0 HB3 TYR A 575 21.803 -4.024 19.862 1.00 0.00 H new ATOM 0 HD1 TYR A 575 22.436 -7.731 20.290 1.00 0.00 H new ATOM 0 HD2 TYR A 575 19.677 -4.450 20.693 1.00 0.00 H new ATOM 0 HE1 TYR A 575 20.744 -9.276 21.244 1.00 0.00 H new ATOM 0 HE2 TYR A 575 17.966 -5.999 21.623 1.00 0.00 H new ATOM 0 HH TYR A 575 17.500 -8.119 22.237 1.00 0.00 H new ATOM 655 N ASP A 576 21.184 -6.609 17.002 1.00 0.00 N ATOM 656 CA ASP A 576 19.960 -6.878 16.238 1.00 0.00 C ATOM 657 C ASP A 576 18.878 -7.410 17.195 1.00 0.00 C ATOM 658 O ASP A 576 19.027 -8.497 17.762 1.00 0.00 O ATOM 659 CB ASP A 576 20.253 -7.872 15.096 1.00 0.00 C ATOM 660 CG ASP A 576 19.096 -8.004 14.087 1.00 0.00 C ATOM 661 OD1 ASP A 576 19.349 -7.887 12.865 1.00 0.00 O ATOM 662 OD2 ASP A 576 17.935 -8.229 14.512 1.00 0.00 O ATOM 0 H ASP A 576 21.741 -7.449 17.159 1.00 0.00 H new ATOM 0 HA ASP A 576 19.594 -5.959 15.780 1.00 0.00 H new ATOM 0 HB2 ASP A 576 21.151 -7.552 14.568 1.00 0.00 H new ATOM 0 HB3 ASP A 576 20.466 -8.852 15.523 1.00 0.00 H new ATOM 667 N GLU A 577 17.807 -6.644 17.385 1.00 0.00 N ATOM 668 CA GLU A 577 16.743 -6.935 18.357 1.00 0.00 C ATOM 669 C GLU A 577 15.821 -8.101 17.955 1.00 0.00 C ATOM 670 O GLU A 577 15.252 -8.764 18.826 1.00 0.00 O ATOM 671 CB GLU A 577 15.881 -5.681 18.580 1.00 0.00 C ATOM 672 CG GLU A 577 16.664 -4.391 18.895 1.00 0.00 C ATOM 673 CD GLU A 577 16.887 -3.462 17.675 1.00 0.00 C ATOM 674 OE1 GLU A 577 16.836 -2.219 17.842 1.00 0.00 O ATOM 675 OE2 GLU A 577 17.126 -3.958 16.547 1.00 0.00 O ATOM 0 H GLU A 577 17.646 -5.785 16.860 1.00 0.00 H new ATOM 0 HA GLU A 577 17.255 -7.236 19.271 1.00 0.00 H new ATOM 0 HB2 GLU A 577 15.278 -5.512 17.688 1.00 0.00 H new ATOM 0 HB3 GLU A 577 15.190 -5.876 19.400 1.00 0.00 H new ATOM 0 HG2 GLU A 577 16.130 -3.836 19.666 1.00 0.00 H new ATOM 0 HG3 GLU A 577 17.634 -4.662 19.312 1.00 0.00 H new ATOM 682 N GLU A 578 15.663 -8.366 16.650 1.00 0.00 N ATOM 683 CA GLU A 578 14.818 -9.447 16.131 1.00 0.00 C ATOM 684 C GLU A 578 15.550 -10.804 16.129 1.00 0.00 C ATOM 685 O GLU A 578 14.991 -11.815 16.574 1.00 0.00 O ATOM 686 CB GLU A 578 14.297 -9.065 14.740 1.00 0.00 C ATOM 687 CG GLU A 578 13.334 -10.108 14.149 1.00 0.00 C ATOM 688 CD GLU A 578 12.615 -9.599 12.876 1.00 0.00 C ATOM 689 OE1 GLU A 578 12.723 -10.257 11.809 1.00 0.00 O ATOM 690 OE2 GLU A 578 11.903 -8.565 12.932 1.00 0.00 O ATOM 0 H GLU A 578 16.125 -7.828 15.917 1.00 0.00 H new ATOM 0 HA GLU A 578 13.964 -9.574 16.797 1.00 0.00 H new ATOM 0 HB2 GLU A 578 13.788 -8.103 14.801 1.00 0.00 H new ATOM 0 HB3 GLU A 578 15.143 -8.936 14.065 1.00 0.00 H new ATOM 0 HG2 GLU A 578 13.889 -11.015 13.910 1.00 0.00 H new ATOM 0 HG3 GLU A 578 12.590 -10.377 14.899 1.00 0.00 H new ATOM 697 N SER A 579 16.813 -10.826 15.684 1.00 0.00 N ATOM 698 CA SER A 579 17.684 -12.009 15.787 1.00 0.00 C ATOM 699 C SER A 579 18.132 -12.276 17.228 1.00 0.00 C ATOM 700 O SER A 579 18.354 -13.430 17.612 1.00 0.00 O ATOM 701 CB SER A 579 18.927 -11.842 14.901 1.00 0.00 C ATOM 702 OG SER A 579 18.551 -11.698 13.534 1.00 0.00 O ATOM 0 H SER A 579 17.262 -10.024 15.242 1.00 0.00 H new ATOM 0 HA SER A 579 17.095 -12.861 15.448 1.00 0.00 H new ATOM 0 HB2 SER A 579 19.495 -10.969 15.222 1.00 0.00 H new ATOM 0 HB3 SER A 579 19.581 -12.707 15.015 1.00 0.00 H new ATOM 0 HG SER A 579 19.354 -11.591 12.983 1.00 0.00 H new ATOM 708 N GLY A 580 18.257 -11.218 18.033 1.00 0.00 N ATOM 709 CA GLY A 580 18.715 -11.275 19.425 1.00 0.00 C ATOM 710 C GLY A 580 20.235 -11.437 19.549 1.00 0.00 C ATOM 711 O GLY A 580 20.724 -12.010 20.526 1.00 0.00 O ATOM 0 H GLY A 580 18.036 -10.271 17.726 1.00 0.00 H new ATOM 0 HA2 GLY A 580 18.409 -10.364 19.940 1.00 0.00 H new ATOM 0 HA3 GLY A 580 18.224 -12.107 19.930 1.00 0.00 H new ATOM 715 N GLU A 581 20.986 -10.981 18.543 1.00 0.00 N ATOM 716 CA GLU A 581 22.428 -11.196 18.389 1.00 0.00 C ATOM 717 C GLU A 581 23.099 -9.940 17.813 1.00 0.00 C ATOM 718 O GLU A 581 22.482 -9.165 17.084 1.00 0.00 O ATOM 719 CB GLU A 581 22.701 -12.408 17.477 1.00 0.00 C ATOM 720 CG GLU A 581 22.224 -13.741 18.083 1.00 0.00 C ATOM 721 CD GLU A 581 22.625 -14.962 17.225 1.00 0.00 C ATOM 722 OE1 GLU A 581 22.239 -15.037 16.032 1.00 0.00 O ATOM 723 OE2 GLU A 581 23.303 -15.878 17.755 1.00 0.00 O ATOM 0 H GLU A 581 20.590 -10.429 17.782 1.00 0.00 H new ATOM 0 HA GLU A 581 22.850 -11.399 19.373 1.00 0.00 H new ATOM 0 HB2 GLU A 581 22.204 -12.253 16.519 1.00 0.00 H new ATOM 0 HB3 GLU A 581 23.770 -12.470 17.275 1.00 0.00 H new ATOM 0 HG2 GLU A 581 22.643 -13.851 19.083 1.00 0.00 H new ATOM 0 HG3 GLU A 581 21.140 -13.719 18.192 1.00 0.00 H new ATOM 730 N TRP A 582 24.371 -9.714 18.142 1.00 0.00 N ATOM 731 CA TRP A 582 25.137 -8.557 17.657 1.00 0.00 C ATOM 732 C TRP A 582 25.750 -8.835 16.269 1.00 0.00 C ATOM 733 O TRP A 582 26.049 -9.980 15.939 1.00 0.00 O ATOM 734 CB TRP A 582 26.183 -8.183 18.714 1.00 0.00 C ATOM 735 CG TRP A 582 25.646 -7.731 20.043 1.00 0.00 C ATOM 736 CD1 TRP A 582 25.001 -8.504 20.950 1.00 0.00 C ATOM 737 CD2 TRP A 582 25.703 -6.398 20.642 1.00 0.00 C ATOM 738 NE1 TRP A 582 24.642 -7.747 22.046 1.00 0.00 N ATOM 739 CE2 TRP A 582 25.039 -6.436 21.903 1.00 0.00 C ATOM 740 CE3 TRP A 582 26.255 -5.155 20.249 1.00 0.00 C ATOM 741 CZ2 TRP A 582 24.906 -5.300 22.719 1.00 0.00 C ATOM 742 CZ3 TRP A 582 26.120 -4.006 21.055 1.00 0.00 C ATOM 743 CH2 TRP A 582 25.435 -4.077 22.278 1.00 0.00 C ATOM 0 H TRP A 582 24.905 -10.329 18.755 1.00 0.00 H new ATOM 0 HA TRP A 582 24.477 -7.701 17.516 1.00 0.00 H new ATOM 0 HB2 TRP A 582 26.827 -9.046 18.880 1.00 0.00 H new ATOM 0 HB3 TRP A 582 26.811 -7.389 18.310 1.00 0.00 H new ATOM 0 HD1 TRP A 582 24.798 -9.558 20.832 1.00 0.00 H new ATOM 0 HE1 TRP A 582 24.146 -8.112 22.859 1.00 0.00 H new ATOM 0 HE3 TRP A 582 26.790 -5.085 19.313 1.00 0.00 H new ATOM 0 HZ2 TRP A 582 24.404 -5.367 23.673 1.00 0.00 H new ATOM 0 HZ3 TRP A 582 26.545 -3.068 20.730 1.00 0.00 H new ATOM 0 HH2 TRP A 582 25.315 -3.189 22.881 1.00 0.00 H new ATOM 754 N VAL A 583 25.964 -7.798 15.449 1.00 0.00 N ATOM 755 CA VAL A 583 26.475 -7.897 14.058 1.00 0.00 C ATOM 756 C VAL A 583 27.580 -6.877 13.757 1.00 0.00 C ATOM 757 O VAL A 583 27.495 -5.713 14.151 1.00 0.00 O ATOM 758 CB VAL A 583 25.347 -7.791 13.000 1.00 0.00 C ATOM 759 CG1 VAL A 583 24.419 -9.018 13.024 1.00 0.00 C ATOM 760 CG2 VAL A 583 24.479 -6.535 13.113 1.00 0.00 C ATOM 0 H VAL A 583 25.784 -6.835 15.734 1.00 0.00 H new ATOM 0 HA VAL A 583 26.912 -8.893 13.986 1.00 0.00 H new ATOM 0 HB VAL A 583 25.888 -7.735 12.056 1.00 0.00 H new ATOM 0 HG11 VAL A 583 23.643 -8.902 12.267 1.00 0.00 H new ATOM 0 HG12 VAL A 583 24.999 -9.917 12.815 1.00 0.00 H new ATOM 0 HG13 VAL A 583 23.957 -9.105 14.007 1.00 0.00 H new ATOM 0 HG21 VAL A 583 23.718 -6.547 12.333 1.00 0.00 H new ATOM 0 HG22 VAL A 583 23.997 -6.513 14.090 1.00 0.00 H new ATOM 0 HG23 VAL A 583 25.104 -5.649 12.996 1.00 0.00 H new ATOM 770 N TRP A 584 28.608 -7.306 13.031 1.00 0.00 N ATOM 771 CA TRP A 584 29.685 -6.478 12.469 1.00 0.00 C ATOM 772 C TRP A 584 29.244 -6.016 11.074 1.00 0.00 C ATOM 773 O TRP A 584 29.280 -6.796 10.120 1.00 0.00 O ATOM 774 CB TRP A 584 30.980 -7.317 12.414 1.00 0.00 C ATOM 775 CG TRP A 584 31.854 -7.337 13.638 1.00 0.00 C ATOM 776 CD1 TRP A 584 32.223 -6.259 14.369 1.00 0.00 C ATOM 777 CD2 TRP A 584 32.527 -8.476 14.266 1.00 0.00 C ATOM 778 NE1 TRP A 584 32.983 -6.653 15.447 1.00 0.00 N ATOM 779 CE2 TRP A 584 33.228 -8.011 15.419 1.00 0.00 C ATOM 780 CE3 TRP A 584 32.579 -9.864 14.007 1.00 0.00 C ATOM 781 CZ2 TRP A 584 33.944 -8.874 16.266 1.00 0.00 C ATOM 782 CZ3 TRP A 584 33.299 -10.738 14.845 1.00 0.00 C ATOM 783 CH2 TRP A 584 33.978 -10.250 15.973 1.00 0.00 C ATOM 0 H TRP A 584 28.724 -8.293 12.803 1.00 0.00 H new ATOM 0 HA TRP A 584 29.883 -5.599 13.083 1.00 0.00 H new ATOM 0 HB2 TRP A 584 30.703 -8.346 12.183 1.00 0.00 H new ATOM 0 HB3 TRP A 584 31.580 -6.953 11.580 1.00 0.00 H new ATOM 0 HD1 TRP A 584 31.959 -5.237 14.140 1.00 0.00 H new ATOM 0 HE1 TRP A 584 33.322 -6.022 16.173 1.00 0.00 H new ATOM 0 HE3 TRP A 584 32.057 -10.263 13.150 1.00 0.00 H new ATOM 0 HZ2 TRP A 584 34.462 -8.486 17.131 1.00 0.00 H new ATOM 0 HZ3 TRP A 584 33.329 -11.793 14.618 1.00 0.00 H new ATOM 0 HH2 TRP A 584 34.524 -10.928 16.613 1.00 0.00 H new ATOM 794 N LYS A 585 28.774 -4.769 10.968 1.00 0.00 N ATOM 795 CA LYS A 585 28.309 -4.156 9.705 1.00 0.00 C ATOM 796 C LYS A 585 29.480 -3.686 8.827 1.00 0.00 C ATOM 797 O LYS A 585 30.585 -3.468 9.323 1.00 0.00 O ATOM 798 CB LYS A 585 27.328 -3.016 10.019 1.00 0.00 C ATOM 799 CG LYS A 585 26.082 -3.531 10.760 1.00 0.00 C ATOM 800 CD LYS A 585 24.965 -2.479 10.853 1.00 0.00 C ATOM 801 CE LYS A 585 25.380 -1.240 11.666 1.00 0.00 C ATOM 802 NZ LYS A 585 24.286 -0.236 11.732 1.00 0.00 N ATOM 0 H LYS A 585 28.702 -4.140 11.768 1.00 0.00 H new ATOM 0 HA LYS A 585 27.785 -4.914 9.122 1.00 0.00 H new ATOM 0 HB2 LYS A 585 27.828 -2.262 10.627 1.00 0.00 H new ATOM 0 HB3 LYS A 585 27.026 -2.529 9.092 1.00 0.00 H new ATOM 0 HG2 LYS A 585 25.700 -4.415 10.249 1.00 0.00 H new ATOM 0 HG3 LYS A 585 26.366 -3.842 11.765 1.00 0.00 H new ATOM 0 HD2 LYS A 585 24.679 -2.169 9.848 1.00 0.00 H new ATOM 0 HD3 LYS A 585 24.084 -2.930 11.310 1.00 0.00 H new ATOM 0 HE2 LYS A 585 25.658 -1.543 12.676 1.00 0.00 H new ATOM 0 HE3 LYS A 585 26.263 -0.787 11.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 585 24.601 0.585 12.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 585 24.038 0.071 10.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 585 23.452 -0.661 12.185 1.00 0.00 H new ATOM 816 N ASN A 586 29.248 -3.541 7.519 1.00 0.00 N ATOM 817 CA ASN A 586 30.267 -3.219 6.505 1.00 0.00 C ATOM 818 C ASN A 586 31.462 -4.200 6.515 1.00 0.00 C ATOM 819 O ASN A 586 32.598 -3.810 6.244 1.00 0.00 O ATOM 820 CB ASN A 586 30.676 -1.735 6.629 1.00 0.00 C ATOM 821 CG ASN A 586 31.309 -1.179 5.359 1.00 0.00 C ATOM 822 OD1 ASN A 586 30.628 -0.900 4.389 1.00 0.00 O ATOM 823 ND2 ASN A 586 32.606 -0.950 5.323 1.00 0.00 N ATOM 0 H ASN A 586 28.316 -3.647 7.119 1.00 0.00 H new ATOM 0 HA ASN A 586 29.826 -3.356 5.518 1.00 0.00 H new ATOM 0 HB2 ASN A 586 29.796 -1.142 6.879 1.00 0.00 H new ATOM 0 HB3 ASN A 586 31.379 -1.626 7.455 1.00 0.00 H new ATOM 0 HD21 ASN A 586 33.029 -0.543 4.489 1.00 0.00 H new ATOM 0 HD22 ASN A 586 33.187 -1.179 6.129 1.00 0.00 H new ATOM 830 N THR A 587 31.238 -5.465 6.882 1.00 0.00 N ATOM 831 CA THR A 587 32.303 -6.457 7.149 1.00 0.00 C ATOM 832 C THR A 587 32.170 -7.700 6.263 1.00 0.00 C ATOM 833 O THR A 587 31.061 -8.121 5.915 1.00 0.00 O ATOM 834 CB THR A 587 32.337 -6.839 8.645 1.00 0.00 C ATOM 835 OG1 THR A 587 32.524 -5.682 9.430 1.00 0.00 O ATOM 836 CG2 THR A 587 33.487 -7.774 9.038 1.00 0.00 C ATOM 0 H THR A 587 30.299 -5.842 7.006 1.00 0.00 H new ATOM 0 HA THR A 587 33.253 -5.987 6.895 1.00 0.00 H new ATOM 0 HB THR A 587 31.387 -7.344 8.817 1.00 0.00 H new ATOM 0 HG1 THR A 587 31.757 -5.082 9.316 1.00 0.00 H new ATOM 0 HG21 THR A 587 33.433 -7.989 10.105 1.00 0.00 H new ATOM 0 HG22 THR A 587 33.408 -8.705 8.476 1.00 0.00 H new ATOM 0 HG23 THR A 587 34.439 -7.294 8.813 1.00 0.00 H new ATOM 844 N ILE A 588 33.312 -8.304 5.922 1.00 0.00 N ATOM 845 CA ILE A 588 33.469 -9.517 5.112 1.00 0.00 C ATOM 846 C ILE A 588 34.546 -10.441 5.707 1.00 0.00 C ATOM 847 O ILE A 588 35.570 -9.983 6.216 1.00 0.00 O ATOM 848 CB ILE A 588 33.753 -9.141 3.632 1.00 0.00 C ATOM 849 CG1 ILE A 588 33.946 -10.396 2.752 1.00 0.00 C ATOM 850 CG2 ILE A 588 34.989 -8.239 3.464 1.00 0.00 C ATOM 851 CD1 ILE A 588 33.913 -10.110 1.243 1.00 0.00 C ATOM 0 H ILE A 588 34.213 -7.934 6.225 1.00 0.00 H new ATOM 0 HA ILE A 588 32.536 -10.080 5.129 1.00 0.00 H new ATOM 0 HB ILE A 588 32.872 -8.587 3.308 1.00 0.00 H new ATOM 0 HG12 ILE A 588 34.900 -10.860 3.003 1.00 0.00 H new ATOM 0 HG13 ILE A 588 33.166 -11.119 2.992 1.00 0.00 H new ATOM 0 HG21 ILE A 588 35.133 -8.012 2.408 1.00 0.00 H new ATOM 0 HG22 ILE A 588 34.840 -7.312 4.017 1.00 0.00 H new ATOM 0 HG23 ILE A 588 35.870 -8.753 3.848 1.00 0.00 H new ATOM 0 HD11 ILE A 588 34.055 -11.040 0.693 1.00 0.00 H new ATOM 0 HD12 ILE A 588 32.950 -9.675 0.976 1.00 0.00 H new ATOM 0 HD13 ILE A 588 34.710 -9.412 0.987 1.00 0.00 H new ATOM 863 N GLU A 589 34.305 -11.754 5.638 1.00 0.00 N ATOM 864 CA GLU A 589 35.293 -12.797 5.941 1.00 0.00 C ATOM 865 C GLU A 589 35.840 -13.408 4.636 1.00 0.00 C ATOM 866 O GLU A 589 35.071 -13.848 3.779 1.00 0.00 O ATOM 867 CB GLU A 589 34.656 -13.865 6.846 1.00 0.00 C ATOM 868 CG GLU A 589 35.698 -14.883 7.354 1.00 0.00 C ATOM 869 CD GLU A 589 35.097 -16.094 8.107 1.00 0.00 C ATOM 870 OE1 GLU A 589 33.854 -16.257 8.180 1.00 0.00 O ATOM 871 OE2 GLU A 589 35.887 -16.931 8.607 1.00 0.00 O ATOM 0 H GLU A 589 33.398 -12.131 5.364 1.00 0.00 H new ATOM 0 HA GLU A 589 36.136 -12.359 6.476 1.00 0.00 H new ATOM 0 HB2 GLU A 589 34.176 -13.381 7.697 1.00 0.00 H new ATOM 0 HB3 GLU A 589 33.875 -14.389 6.295 1.00 0.00 H new ATOM 0 HG2 GLU A 589 36.274 -15.249 6.504 1.00 0.00 H new ATOM 0 HG3 GLU A 589 36.396 -14.370 8.015 1.00 0.00 H new ATOM 878 N VAL A 590 37.166 -13.447 4.476 1.00 0.00 N ATOM 879 CA VAL A 590 37.862 -13.974 3.287 1.00 0.00 C ATOM 880 C VAL A 590 39.245 -14.488 3.654 1.00 0.00 C ATOM 881 O VAL A 590 39.996 -13.854 4.396 1.00 0.00 O ATOM 882 CB VAL A 590 37.851 -12.951 2.124 1.00 0.00 C ATOM 883 CG1 VAL A 590 38.453 -11.592 2.485 1.00 0.00 C ATOM 884 CG2 VAL A 590 38.570 -13.491 0.886 1.00 0.00 C ATOM 0 H VAL A 590 37.809 -13.103 5.189 1.00 0.00 H new ATOM 0 HA VAL A 590 37.315 -14.838 2.910 1.00 0.00 H new ATOM 0 HB VAL A 590 36.793 -12.799 1.908 1.00 0.00 H new ATOM 0 HG11 VAL A 590 38.408 -10.932 1.618 1.00 0.00 H new ATOM 0 HG12 VAL A 590 37.889 -11.151 3.306 1.00 0.00 H new ATOM 0 HG13 VAL A 590 39.492 -11.723 2.788 1.00 0.00 H new ATOM 0 HG21 VAL A 590 38.540 -12.744 0.093 1.00 0.00 H new ATOM 0 HG22 VAL A 590 39.607 -13.714 1.136 1.00 0.00 H new ATOM 0 HG23 VAL A 590 38.075 -14.401 0.546 1.00 0.00 H new ATOM 894 N ASN A 591 39.555 -15.686 3.158 1.00 0.00 N ATOM 895 CA ASN A 591 40.824 -16.377 3.378 1.00 0.00 C ATOM 896 C ASN A 591 41.184 -16.525 4.879 1.00 0.00 C ATOM 897 O ASN A 591 42.327 -16.307 5.294 1.00 0.00 O ATOM 898 CB ASN A 591 41.898 -15.707 2.503 1.00 0.00 C ATOM 899 CG ASN A 591 41.613 -15.737 1.005 1.00 0.00 C ATOM 900 OD1 ASN A 591 40.908 -16.589 0.487 1.00 0.00 O ATOM 901 ND2 ASN A 591 42.168 -14.816 0.251 1.00 0.00 N ATOM 0 H ASN A 591 38.910 -16.218 2.574 1.00 0.00 H new ATOM 0 HA ASN A 591 40.745 -17.416 3.060 1.00 0.00 H new ATOM 0 HB2 ASN A 591 42.007 -14.669 2.817 1.00 0.00 H new ATOM 0 HB3 ASN A 591 42.854 -16.197 2.687 1.00 0.00 H new ATOM 0 HD21 ASN A 591 42.008 -14.817 -0.756 1.00 0.00 H new ATOM 0 HD22 ASN A 591 42.759 -14.099 0.673 1.00 0.00 H new ATOM 908 N GLY A 592 40.186 -16.857 5.709 1.00 0.00 N ATOM 909 CA GLY A 592 40.332 -17.061 7.160 1.00 0.00 C ATOM 910 C GLY A 592 40.521 -15.784 7.993 1.00 0.00 C ATOM 911 O GLY A 592 40.877 -15.882 9.167 1.00 0.00 O ATOM 0 H GLY A 592 39.229 -16.995 5.383 1.00 0.00 H new ATOM 0 HA2 GLY A 592 39.449 -17.585 7.526 1.00 0.00 H new ATOM 0 HA3 GLY A 592 41.186 -17.716 7.333 1.00 0.00 H new ATOM 915 N LYS A 593 40.312 -14.603 7.400 1.00 0.00 N ATOM 916 CA LYS A 593 40.571 -13.272 7.985 1.00 0.00 C ATOM 917 C LYS A 593 39.409 -12.302 7.734 1.00 0.00 C ATOM 918 O LYS A 593 38.634 -12.473 6.789 1.00 0.00 O ATOM 919 CB LYS A 593 41.891 -12.719 7.415 1.00 0.00 C ATOM 920 CG LYS A 593 43.129 -13.487 7.917 1.00 0.00 C ATOM 921 CD LYS A 593 44.442 -12.970 7.312 1.00 0.00 C ATOM 922 CE LYS A 593 44.594 -13.238 5.804 1.00 0.00 C ATOM 923 NZ LYS A 593 44.701 -14.689 5.488 1.00 0.00 N ATOM 0 H LYS A 593 39.939 -14.541 6.453 1.00 0.00 H new ATOM 0 HA LYS A 593 40.659 -13.377 9.066 1.00 0.00 H new ATOM 0 HB2 LYS A 593 41.858 -12.764 6.326 1.00 0.00 H new ATOM 0 HB3 LYS A 593 41.987 -11.668 7.687 1.00 0.00 H new ATOM 0 HG2 LYS A 593 43.181 -13.411 9.003 1.00 0.00 H new ATOM 0 HG3 LYS A 593 43.016 -14.544 7.677 1.00 0.00 H new ATOM 0 HD2 LYS A 593 44.511 -11.896 7.487 1.00 0.00 H new ATOM 0 HD3 LYS A 593 45.277 -13.433 7.837 1.00 0.00 H new ATOM 0 HE2 LYS A 593 43.738 -12.817 5.276 1.00 0.00 H new ATOM 0 HE3 LYS A 593 45.481 -12.723 5.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 593 45.161 -14.810 4.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 593 45.267 -15.163 6.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 593 43.750 -15.109 5.459 1.00 0.00 H new ATOM 937 N TYR A 594 39.290 -11.286 8.586 1.00 0.00 N ATOM 938 CA TYR A 594 38.255 -10.254 8.502 1.00 0.00 C ATOM 939 C TYR A 594 38.748 -8.955 7.869 1.00 0.00 C ATOM 940 O TYR A 594 39.894 -8.534 8.044 1.00 0.00 O ATOM 941 CB TYR A 594 37.664 -9.989 9.884 1.00 0.00 C ATOM 942 CG TYR A 594 36.821 -11.144 10.386 1.00 0.00 C ATOM 943 CD1 TYR A 594 35.528 -11.318 9.860 1.00 0.00 C ATOM 944 CD2 TYR A 594 37.321 -12.055 11.335 1.00 0.00 C ATOM 945 CE1 TYR A 594 34.731 -12.398 10.286 1.00 0.00 C ATOM 946 CE2 TYR A 594 36.526 -13.137 11.767 1.00 0.00 C ATOM 947 CZ TYR A 594 35.226 -13.309 11.245 1.00 0.00 C ATOM 948 OH TYR A 594 34.451 -14.356 11.649 1.00 0.00 O ATOM 0 H TYR A 594 39.925 -11.153 9.373 1.00 0.00 H new ATOM 0 HA TYR A 594 37.479 -10.640 7.840 1.00 0.00 H new ATOM 0 HB2 TYR A 594 38.472 -9.799 10.591 1.00 0.00 H new ATOM 0 HB3 TYR A 594 37.054 -9.087 9.848 1.00 0.00 H new ATOM 0 HD1 TYR A 594 35.146 -10.622 9.128 1.00 0.00 H new ATOM 0 HD2 TYR A 594 38.316 -11.925 11.734 1.00 0.00 H new ATOM 0 HE1 TYR A 594 33.739 -12.530 9.879 1.00 0.00 H new ATOM 0 HE2 TYR A 594 36.912 -13.833 12.497 1.00 0.00 H new ATOM 0 HH TYR A 594 34.940 -14.888 12.311 1.00 0.00 H new ATOM 958 N PHE A 595 37.834 -8.310 7.147 1.00 0.00 N ATOM 959 CA PHE A 595 38.051 -7.120 6.332 1.00 0.00 C ATOM 960 C PHE A 595 36.757 -6.291 6.239 1.00 0.00 C ATOM 961 O PHE A 595 35.673 -6.785 6.553 1.00 0.00 O ATOM 962 CB PHE A 595 38.503 -7.576 4.934 1.00 0.00 C ATOM 963 CG PHE A 595 39.891 -8.189 4.872 1.00 0.00 C ATOM 964 CD1 PHE A 595 41.026 -7.359 4.820 1.00 0.00 C ATOM 965 CD2 PHE A 595 40.049 -9.585 4.855 1.00 0.00 C ATOM 966 CE1 PHE A 595 42.311 -7.926 4.720 1.00 0.00 C ATOM 967 CE2 PHE A 595 41.329 -10.153 4.755 1.00 0.00 C ATOM 968 CZ PHE A 595 42.463 -9.323 4.686 1.00 0.00 C ATOM 0 H PHE A 595 36.864 -8.624 7.114 1.00 0.00 H new ATOM 0 HA PHE A 595 38.816 -6.489 6.784 1.00 0.00 H new ATOM 0 HB2 PHE A 595 37.785 -8.304 4.557 1.00 0.00 H new ATOM 0 HB3 PHE A 595 38.471 -6.719 4.262 1.00 0.00 H new ATOM 0 HD1 PHE A 595 40.911 -6.286 4.857 1.00 0.00 H new ATOM 0 HD2 PHE A 595 39.181 -10.225 4.919 1.00 0.00 H new ATOM 0 HE1 PHE A 595 43.180 -7.287 4.669 1.00 0.00 H new ATOM 0 HE2 PHE A 595 41.443 -11.227 4.731 1.00 0.00 H new ATOM 0 HZ PHE A 595 43.448 -9.758 4.607 1.00 0.00 H new ATOM 978 N HIS A 596 36.844 -5.043 5.781 1.00 0.00 N ATOM 979 CA HIS A 596 35.656 -4.257 5.427 1.00 0.00 C ATOM 980 C HIS A 596 35.184 -4.649 4.031 1.00 0.00 C ATOM 981 O HIS A 596 36.000 -4.872 3.132 1.00 0.00 O ATOM 982 CB HIS A 596 35.947 -2.754 5.425 1.00 0.00 C ATOM 983 CG HIS A 596 36.030 -2.046 6.743 1.00 0.00 C ATOM 984 ND1 HIS A 596 37.140 -1.285 7.075 1.00 0.00 N ATOM 985 CD2 HIS A 596 35.091 -1.952 7.730 1.00 0.00 C ATOM 986 CE1 HIS A 596 36.861 -0.739 8.268 1.00 0.00 C ATOM 987 NE2 HIS A 596 35.636 -1.121 8.684 1.00 0.00 N ATOM 0 H HIS A 596 37.727 -4.550 5.645 1.00 0.00 H new ATOM 0 HA HIS A 596 34.892 -4.467 6.175 1.00 0.00 H new ATOM 0 HB2 HIS A 596 36.892 -2.599 4.904 1.00 0.00 H new ATOM 0 HB3 HIS A 596 35.173 -2.266 4.833 1.00 0.00 H new ATOM 0 HD2 HIS A 596 34.123 -2.430 7.757 1.00 0.00 H new ATOM 0 HE1 HIS A 596 37.523 -0.086 8.817 1.00 0.00 H new ATOM 0 HE2 HIS A 596 35.189 -0.842 9.557 1.00 0.00 H new ATOM 995 N SER A 597 33.869 -4.687 3.819 1.00 0.00 N ATOM 996 CA SER A 597 33.257 -4.982 2.517 1.00 0.00 C ATOM 997 C SER A 597 33.662 -3.951 1.453 1.00 0.00 C ATOM 998 O SER A 597 34.093 -4.335 0.368 1.00 0.00 O ATOM 999 CB SER A 597 31.736 -5.071 2.683 1.00 0.00 C ATOM 1000 OG SER A 597 31.216 -3.874 3.232 1.00 0.00 O ATOM 0 H SER A 597 33.186 -4.512 4.556 1.00 0.00 H new ATOM 0 HA SER A 597 33.626 -5.944 2.160 1.00 0.00 H new ATOM 0 HB2 SER A 597 31.271 -5.264 1.716 1.00 0.00 H new ATOM 0 HB3 SER A 597 31.486 -5.911 3.330 1.00 0.00 H new ATOM 0 HG SER A 597 30.287 -3.758 2.943 1.00 0.00 H new ATOM 1006 N THR A 598 33.639 -2.656 1.774 1.00 0.00 N ATOM 1007 CA THR A 598 34.092 -1.557 0.897 1.00 0.00 C ATOM 1008 C THR A 598 35.591 -1.622 0.584 1.00 0.00 C ATOM 1009 O THR A 598 35.982 -1.486 -0.578 1.00 0.00 O ATOM 1010 CB THR A 598 33.769 -0.190 1.529 1.00 0.00 C ATOM 1011 OG1 THR A 598 34.171 -0.148 2.888 1.00 0.00 O ATOM 1012 CG2 THR A 598 32.280 0.143 1.495 1.00 0.00 C ATOM 0 H THR A 598 33.296 -2.326 2.676 1.00 0.00 H new ATOM 0 HA THR A 598 33.550 -1.676 -0.041 1.00 0.00 H new ATOM 0 HB THR A 598 34.318 0.538 0.931 1.00 0.00 H new ATOM 0 HG1 THR A 598 33.956 0.730 3.266 1.00 0.00 H new ATOM 0 HG21 THR A 598 32.115 1.118 1.954 1.00 0.00 H new ATOM 0 HG22 THR A 598 31.936 0.166 0.461 1.00 0.00 H new ATOM 0 HG23 THR A 598 31.725 -0.616 2.045 1.00 0.00 H new ATOM 1020 N CYS A 599 36.431 -1.875 1.595 1.00 0.00 N ATOM 1021 CA CYS A 599 37.881 -1.998 1.458 1.00 0.00 C ATOM 1022 C CYS A 599 38.271 -3.156 0.517 1.00 0.00 C ATOM 1023 O CYS A 599 39.136 -3.011 -0.348 1.00 0.00 O ATOM 1024 CB CYS A 599 38.506 -2.154 2.849 1.00 0.00 C ATOM 1025 SG CYS A 599 38.350 -0.590 3.776 1.00 0.00 S ATOM 0 H CYS A 599 36.109 -2.003 2.554 1.00 0.00 H new ATOM 0 HA CYS A 599 38.272 -1.091 0.997 1.00 0.00 H new ATOM 0 HB2 CYS A 599 38.012 -2.960 3.392 1.00 0.00 H new ATOM 0 HB3 CYS A 599 39.557 -2.430 2.757 1.00 0.00 H new ATOM 0 HG CYS A 599 37.990 -0.844 4.999 1.00 0.00 H new ATOM 1030 N TYR A 600 37.639 -4.315 0.685 1.00 0.00 N ATOM 1031 CA TYR A 600 37.886 -5.460 -0.176 1.00 0.00 C ATOM 1032 C TYR A 600 37.283 -5.305 -1.591 1.00 0.00 C ATOM 1033 O TYR A 600 37.869 -5.799 -2.554 1.00 0.00 O ATOM 1034 CB TYR A 600 37.380 -6.715 0.553 1.00 0.00 C ATOM 1035 CG TYR A 600 37.524 -7.994 -0.247 1.00 0.00 C ATOM 1036 CD1 TYR A 600 38.745 -8.693 -0.237 1.00 0.00 C ATOM 1037 CD2 TYR A 600 36.443 -8.474 -1.012 1.00 0.00 C ATOM 1038 CE1 TYR A 600 38.894 -9.871 -0.997 1.00 0.00 C ATOM 1039 CE2 TYR A 600 36.583 -9.657 -1.765 1.00 0.00 C ATOM 1040 CZ TYR A 600 37.811 -10.358 -1.760 1.00 0.00 C ATOM 1041 OH TYR A 600 37.951 -11.504 -2.487 1.00 0.00 O ATOM 0 H TYR A 600 36.948 -4.483 1.416 1.00 0.00 H new ATOM 0 HA TYR A 600 38.957 -5.546 -0.358 1.00 0.00 H new ATOM 0 HB2 TYR A 600 37.925 -6.822 1.491 1.00 0.00 H new ATOM 0 HB3 TYR A 600 36.330 -6.575 0.809 1.00 0.00 H new ATOM 0 HD1 TYR A 600 39.571 -8.326 0.355 1.00 0.00 H new ATOM 0 HD2 TYR A 600 35.507 -7.935 -1.021 1.00 0.00 H new ATOM 0 HE1 TYR A 600 39.836 -10.400 -0.995 1.00 0.00 H new ATOM 0 HE2 TYR A 600 35.752 -10.028 -2.346 1.00 0.00 H new ATOM 0 HH TYR A 600 37.112 -11.700 -2.953 1.00 0.00 H new ATOM 1051 N HIS A 601 36.147 -4.608 -1.743 1.00 0.00 N ATOM 1052 CA HIS A 601 35.407 -4.490 -3.012 1.00 0.00 C ATOM 1053 C HIS A 601 36.045 -3.545 -4.042 1.00 0.00 C ATOM 1054 O HIS A 601 36.725 -4.007 -4.956 1.00 0.00 O ATOM 1055 CB HIS A 601 33.924 -4.179 -2.738 1.00 0.00 C ATOM 1056 CG HIS A 601 33.068 -4.091 -3.978 1.00 0.00 C ATOM 1057 ND1 HIS A 601 32.678 -2.911 -4.615 1.00 0.00 N ATOM 1058 CD2 HIS A 601 32.587 -5.153 -4.685 1.00 0.00 C ATOM 1059 CE1 HIS A 601 31.974 -3.290 -5.694 1.00 0.00 C ATOM 1060 NE2 HIS A 601 31.897 -4.631 -5.759 1.00 0.00 N ATOM 0 H HIS A 601 35.708 -4.101 -0.975 1.00 0.00 H new ATOM 0 HA HIS A 601 35.467 -5.463 -3.499 1.00 0.00 H new ATOM 0 HB2 HIS A 601 33.518 -4.951 -2.084 1.00 0.00 H new ATOM 0 HB3 HIS A 601 33.857 -3.235 -2.197 1.00 0.00 H new ATOM 0 HD2 HIS A 601 32.720 -6.199 -4.450 1.00 0.00 H new ATOM 0 HE1 HIS A 601 31.532 -2.613 -6.409 1.00 0.00 H new ATOM 0 HE2 HIS A 601 31.412 -5.169 -6.478 1.00 0.00 H new ATOM 1068 N GLU A 602 35.829 -2.232 -3.925 1.00 0.00 N ATOM 1069 CA GLU A 602 36.279 -1.230 -4.911 1.00 0.00 C ATOM 1070 C GLU A 602 37.620 -0.568 -4.549 1.00 0.00 C ATOM 1071 O GLU A 602 38.169 0.197 -5.345 1.00 0.00 O ATOM 1072 CB GLU A 602 35.169 -0.190 -5.143 1.00 0.00 C ATOM 1073 CG GLU A 602 34.828 0.673 -3.920 1.00 0.00 C ATOM 1074 CD GLU A 602 33.819 1.770 -4.300 1.00 0.00 C ATOM 1075 OE1 GLU A 602 32.621 1.459 -4.497 1.00 0.00 O ATOM 1076 OE2 GLU A 602 34.228 2.950 -4.429 1.00 0.00 O ATOM 0 H GLU A 602 35.331 -1.824 -3.134 1.00 0.00 H new ATOM 0 HA GLU A 602 36.471 -1.760 -5.844 1.00 0.00 H new ATOM 0 HB2 GLU A 602 35.470 0.466 -5.960 1.00 0.00 H new ATOM 0 HB3 GLU A 602 34.267 -0.709 -5.467 1.00 0.00 H new ATOM 0 HG2 GLU A 602 34.413 0.047 -3.130 1.00 0.00 H new ATOM 0 HG3 GLU A 602 35.736 1.127 -3.523 1.00 0.00 H new ATOM 1083 N THR A 603 38.148 -0.848 -3.353 1.00 0.00 N ATOM 1084 CA THR A 603 39.403 -0.266 -2.833 1.00 0.00 C ATOM 1085 C THR A 603 40.620 -1.134 -3.168 1.00 0.00 C ATOM 1086 O THR A 603 41.618 -0.627 -3.684 1.00 0.00 O ATOM 1087 CB THR A 603 39.254 -0.014 -1.328 1.00 0.00 C ATOM 1088 OG1 THR A 603 38.594 1.221 -1.122 1.00 0.00 O ATOM 1089 CG2 THR A 603 40.555 0.021 -0.517 1.00 0.00 C ATOM 0 H THR A 603 37.710 -1.499 -2.701 1.00 0.00 H new ATOM 0 HA THR A 603 39.585 0.689 -3.326 1.00 0.00 H new ATOM 0 HB THR A 603 38.690 -0.874 -0.967 1.00 0.00 H new ATOM 0 HG1 THR A 603 38.496 1.383 -0.160 1.00 0.00 H new ATOM 0 HG21 THR A 603 40.325 0.206 0.532 1.00 0.00 H new ATOM 0 HG22 THR A 603 41.069 -0.935 -0.613 1.00 0.00 H new ATOM 0 HG23 THR A 603 41.197 0.817 -0.893 1.00 0.00 H new