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= 0.464 K(o=1.2,f=-2.7!) USER MOD Set 1.2: A 598 THR OG1 : rot 170:sc= 0.7 USER MOD Set 2.1: A 564 CYS SG : rot 158:sc= 0.295 USER MOD Set 2.2: A 567 CYS SG : rot -62:sc= -0.428 USER MOD Set 2.3: A 596 HIS : no HD1:sc= 0.182 K(o=-0.44,f=-1.5) USER MOD Set 2.4: A 599 CYS SG : rot 139:sc= -0.492 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= 0.381 USER MOD Single : A 558 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 560 MET CE :methyl 179:sc= -0.404 (180deg=-0.408) USER MOD Single : A 563 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0151) USER MOD Single : A 568 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ 178:sc= 0 (180deg=-0.00354) USER MOD Single : A 587 THR OG1 : rot 63:sc= 0.42 USER MOD Single : A 591 ASN : amide:sc= -0.0595 K(o=-0.059,f=-0.74) 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 -130: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 98:sc= 0.561 USER MOD ----------------------------------------------------------------- ATOM 184 N ILE A 546 26.180 -3.464 -0.810 1.00 0.00 N ATOM 185 CA ILE A 546 27.496 -3.558 -0.141 1.00 0.00 C ATOM 186 C ILE A 546 27.395 -3.181 1.352 1.00 0.00 C ATOM 187 O ILE A 546 28.012 -3.824 2.203 1.00 0.00 O ATOM 188 CB ILE A 546 28.552 -2.679 -0.861 1.00 0.00 C ATOM 189 CG1 ILE A 546 28.693 -2.943 -2.379 1.00 0.00 C ATOM 190 CG2 ILE A 546 29.927 -2.823 -0.185 1.00 0.00 C ATOM 191 CD1 ILE A 546 29.252 -4.319 -2.758 1.00 0.00 C ATOM 0 HA ILE A 546 27.822 -4.596 -0.202 1.00 0.00 H new ATOM 0 HB ILE A 546 28.179 -1.659 -0.766 1.00 0.00 H new ATOM 0 HG12 ILE A 546 27.714 -2.827 -2.843 1.00 0.00 H new ATOM 0 HG13 ILE A 546 29.340 -2.177 -2.805 1.00 0.00 H new ATOM 0 HG21 ILE A 546 30.655 -2.199 -0.704 1.00 0.00 H new ATOM 0 HG22 ILE A 546 29.855 -2.508 0.856 1.00 0.00 H new ATOM 0 HG23 ILE A 546 30.246 -3.864 -0.228 1.00 0.00 H new ATOM 0 HD11 ILE A 546 29.310 -4.402 -3.843 1.00 0.00 H new ATOM 0 HD12 ILE A 546 30.248 -4.437 -2.331 1.00 0.00 H new ATOM 0 HD13 ILE A 546 28.596 -5.098 -2.370 1.00 0.00 H new ATOM 203 N ARG A 547 26.570 -2.173 1.683 1.00 0.00 N ATOM 204 CA ARG A 547 26.378 -1.699 3.070 1.00 0.00 C ATOM 205 C ARG A 547 25.508 -2.634 3.924 1.00 0.00 C ATOM 206 O ARG A 547 25.534 -2.552 5.152 1.00 0.00 O ATOM 207 CB ARG A 547 25.857 -0.247 3.076 1.00 0.00 C ATOM 208 CG ARG A 547 24.395 -0.094 2.619 1.00 0.00 C ATOM 209 CD ARG A 547 23.952 1.372 2.558 1.00 0.00 C ATOM 210 NE ARG A 547 24.559 2.064 1.407 1.00 0.00 N ATOM 211 CZ ARG A 547 24.650 3.359 1.186 1.00 0.00 C ATOM 212 NH1 ARG A 547 24.209 4.249 2.031 1.00 0.00 N ATOM 213 NH2 ARG A 547 25.208 3.783 0.093 1.00 0.00 N ATOM 0 H ARG A 547 26.015 -1.661 0.997 1.00 0.00 H new ATOM 0 HA ARG A 547 27.357 -1.714 3.549 1.00 0.00 H new ATOM 0 HB2 ARG A 547 25.954 0.157 4.084 1.00 0.00 H new ATOM 0 HB3 ARG A 547 26.492 0.357 2.428 1.00 0.00 H new ATOM 0 HG2 ARG A 547 24.275 -0.548 1.635 1.00 0.00 H new ATOM 0 HG3 ARG A 547 23.744 -0.639 3.303 1.00 0.00 H new ATOM 0 HD2 ARG A 547 22.866 1.424 2.485 1.00 0.00 H new ATOM 0 HD3 ARG A 547 24.234 1.879 3.481 1.00 0.00 H new ATOM 0 HE ARG A 547 24.961 1.462 0.688 1.00 0.00 H new ATOM 0 HH11 ARG A 547 23.773 3.952 2.904 1.00 0.00 H new ATOM 0 HH12 ARG A 547 24.300 5.243 1.819 1.00 0.00 H new ATOM 0 HH21 ARG A 547 25.572 3.115 -0.586 1.00 0.00 H new ATOM 0 HH22 ARG A 547 25.283 4.784 -0.086 1.00 0.00 H new ATOM 227 N GLY A 548 24.741 -3.525 3.286 1.00 0.00 N ATOM 228 CA GLY A 548 23.845 -4.479 3.944 1.00 0.00 C ATOM 229 C GLY A 548 24.537 -5.734 4.484 1.00 0.00 C ATOM 230 O GLY A 548 23.910 -6.515 5.202 1.00 0.00 O ATOM 0 H GLY A 548 24.727 -3.604 2.269 1.00 0.00 H new ATOM 0 HA2 GLY A 548 23.341 -3.975 4.768 1.00 0.00 H new ATOM 0 HA3 GLY A 548 23.074 -4.781 3.236 1.00 0.00 H new ATOM 234 N LYS A 549 25.817 -5.952 4.152 1.00 0.00 N ATOM 235 CA LYS A 549 26.609 -7.107 4.603 1.00 0.00 C ATOM 236 C LYS A 549 27.010 -6.995 6.086 1.00 0.00 C ATOM 237 O LYS A 549 27.328 -5.907 6.563 1.00 0.00 O ATOM 238 CB LYS A 549 27.865 -7.265 3.720 1.00 0.00 C ATOM 239 CG LYS A 549 27.609 -7.349 2.204 1.00 0.00 C ATOM 240 CD LYS A 549 26.553 -8.384 1.787 1.00 0.00 C ATOM 241 CE LYS A 549 26.555 -8.522 0.263 1.00 0.00 C ATOM 242 NZ LYS A 549 25.443 -9.383 -0.214 1.00 0.00 N ATOM 0 H LYS A 549 26.342 -5.318 3.550 1.00 0.00 H new ATOM 0 HA LYS A 549 25.981 -7.992 4.504 1.00 0.00 H new ATOM 0 HB2 LYS A 549 28.530 -6.423 3.912 1.00 0.00 H new ATOM 0 HB3 LYS A 549 28.394 -8.166 4.031 1.00 0.00 H new ATOM 0 HG2 LYS A 549 27.297 -6.368 1.847 1.00 0.00 H new ATOM 0 HG3 LYS A 549 28.548 -7.586 1.703 1.00 0.00 H new ATOM 0 HD2 LYS A 549 26.767 -9.347 2.251 1.00 0.00 H new ATOM 0 HD3 LYS A 549 25.567 -8.075 2.134 1.00 0.00 H new ATOM 0 HE2 LYS A 549 26.471 -7.535 -0.191 1.00 0.00 H new ATOM 0 HE3 LYS A 549 27.506 -8.943 -0.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 549 25.478 -9.452 -1.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 549 25.537 -10.332 0.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 549 24.534 -8.968 0.075 1.00 0.00 H new ATOM 256 N TYR A 550 27.030 -8.127 6.792 1.00 0.00 N ATOM 257 CA TYR A 550 27.506 -8.256 8.180 1.00 0.00 C ATOM 258 C TYR A 550 27.866 -9.707 8.529 1.00 0.00 C ATOM 259 O TYR A 550 27.496 -10.654 7.824 1.00 0.00 O ATOM 260 CB TYR A 550 26.461 -7.706 9.175 1.00 0.00 C ATOM 261 CG TYR A 550 25.079 -8.349 9.107 1.00 0.00 C ATOM 262 CD1 TYR A 550 24.060 -7.716 8.368 1.00 0.00 C ATOM 263 CD2 TYR A 550 24.812 -9.559 9.779 1.00 0.00 C ATOM 264 CE1 TYR A 550 22.780 -8.295 8.289 1.00 0.00 C ATOM 265 CE2 TYR A 550 23.531 -10.140 9.700 1.00 0.00 C ATOM 266 CZ TYR A 550 22.511 -9.514 8.949 1.00 0.00 C ATOM 267 OH TYR A 550 21.270 -10.075 8.858 1.00 0.00 O ATOM 0 H TYR A 550 26.705 -9.013 6.404 1.00 0.00 H new ATOM 0 HA TYR A 550 28.415 -7.660 8.264 1.00 0.00 H new ATOM 0 HB2 TYR A 550 26.849 -7.829 10.186 1.00 0.00 H new ATOM 0 HB3 TYR A 550 26.352 -6.635 9.004 1.00 0.00 H new ATOM 0 HD1 TYR A 550 24.262 -6.784 7.861 1.00 0.00 H new ATOM 0 HD2 TYR A 550 25.589 -10.040 10.354 1.00 0.00 H new ATOM 0 HE1 TYR A 550 22.002 -7.806 7.722 1.00 0.00 H new ATOM 0 HE2 TYR A 550 23.328 -11.067 10.215 1.00 0.00 H new ATOM 0 HH TYR A 550 21.251 -10.912 9.368 1.00 0.00 H new ATOM 277 N VAL A 551 28.549 -9.865 9.664 1.00 0.00 N ATOM 278 CA VAL A 551 28.857 -11.150 10.316 1.00 0.00 C ATOM 279 C VAL A 551 28.559 -11.068 11.818 1.00 0.00 C ATOM 280 O VAL A 551 28.739 -10.016 12.426 1.00 0.00 O ATOM 281 CB VAL A 551 30.303 -11.624 10.043 1.00 0.00 C ATOM 282 CG1 VAL A 551 30.389 -12.260 8.654 1.00 0.00 C ATOM 283 CG2 VAL A 551 31.380 -10.545 10.126 1.00 0.00 C ATOM 0 H VAL A 551 28.921 -9.069 10.181 1.00 0.00 H new ATOM 0 HA VAL A 551 28.207 -11.906 9.876 1.00 0.00 H new ATOM 0 HB VAL A 551 30.509 -12.332 10.845 1.00 0.00 H new ATOM 0 HG11 VAL A 551 31.411 -12.592 8.468 1.00 0.00 H new ATOM 0 HG12 VAL A 551 29.715 -13.115 8.603 1.00 0.00 H new ATOM 0 HG13 VAL A 551 30.103 -11.527 7.900 1.00 0.00 H new ATOM 0 HG21 VAL A 551 32.354 -10.987 9.918 1.00 0.00 H new ATOM 0 HG22 VAL A 551 31.171 -9.765 9.394 1.00 0.00 H new ATOM 0 HG23 VAL A 551 31.385 -10.112 11.126 1.00 0.00 H new ATOM 293 N VAL A 552 28.029 -12.135 12.424 1.00 0.00 N ATOM 294 CA VAL A 552 27.511 -12.095 13.810 1.00 0.00 C ATOM 295 C VAL A 552 28.634 -12.107 14.863 1.00 0.00 C ATOM 296 O VAL A 552 29.590 -12.873 14.746 1.00 0.00 O ATOM 297 CB VAL A 552 26.440 -13.189 14.023 1.00 0.00 C ATOM 298 CG1 VAL A 552 27.013 -14.613 14.021 1.00 0.00 C ATOM 299 CG2 VAL A 552 25.644 -12.997 15.320 1.00 0.00 C ATOM 0 H VAL A 552 27.944 -13.048 11.978 1.00 0.00 H new ATOM 0 HA VAL A 552 27.012 -11.137 13.958 1.00 0.00 H new ATOM 0 HB VAL A 552 25.776 -13.074 13.166 1.00 0.00 H new ATOM 0 HG11 VAL A 552 26.207 -15.330 14.175 1.00 0.00 H new ATOM 0 HG12 VAL A 552 27.495 -14.810 13.063 1.00 0.00 H new ATOM 0 HG13 VAL A 552 27.745 -14.712 14.823 1.00 0.00 H new ATOM 0 HG21 VAL A 552 24.907 -13.794 15.416 1.00 0.00 H new ATOM 0 HG22 VAL A 552 26.324 -13.026 16.172 1.00 0.00 H new ATOM 0 HG23 VAL A 552 25.135 -12.034 15.295 1.00 0.00 H new ATOM 309 N VAL A 553 28.507 -11.276 15.904 1.00 0.00 N ATOM 310 CA VAL A 553 29.385 -11.280 17.085 1.00 0.00 C ATOM 311 C VAL A 553 29.031 -12.472 17.990 1.00 0.00 C ATOM 312 O VAL A 553 27.875 -12.588 18.401 1.00 0.00 O ATOM 313 CB VAL A 553 29.283 -9.958 17.879 1.00 0.00 C ATOM 314 CG1 VAL A 553 30.087 -10.047 19.181 1.00 0.00 C ATOM 315 CG2 VAL A 553 29.844 -8.767 17.119 1.00 0.00 C ATOM 0 H VAL A 553 27.776 -10.566 15.952 1.00 0.00 H new ATOM 0 HA VAL A 553 30.414 -11.376 16.739 1.00 0.00 H new ATOM 0 HB VAL A 553 28.218 -9.814 18.061 1.00 0.00 H new ATOM 0 HG11 VAL A 553 30.003 -9.107 19.726 1.00 0.00 H new ATOM 0 HG12 VAL A 553 29.696 -10.858 19.795 1.00 0.00 H new ATOM 0 HG13 VAL A 553 31.135 -10.239 18.949 1.00 0.00 H new ATOM 0 HG21 VAL A 553 29.745 -7.868 17.727 1.00 0.00 H new ATOM 0 HG22 VAL A 553 30.897 -8.940 16.897 1.00 0.00 H new ATOM 0 HG23 VAL A 553 29.293 -8.638 16.187 1.00 0.00 H new ATOM 325 N PRO A 554 29.988 -13.348 18.358 1.00 0.00 N ATOM 326 CA PRO A 554 29.756 -14.422 19.323 1.00 0.00 C ATOM 327 C PRO A 554 29.775 -13.886 20.766 1.00 0.00 C ATOM 328 O PRO A 554 30.628 -13.074 21.123 1.00 0.00 O ATOM 329 CB PRO A 554 30.877 -15.427 19.061 1.00 0.00 C ATOM 330 CG PRO A 554 32.045 -14.540 18.641 1.00 0.00 C ATOM 331 CD PRO A 554 31.375 -13.363 17.924 1.00 0.00 C ATOM 0 HA PRO A 554 28.775 -14.883 19.208 1.00 0.00 H new ATOM 0 HB2 PRO A 554 31.113 -16.009 19.952 1.00 0.00 H new ATOM 0 HB3 PRO A 554 30.608 -16.136 18.279 1.00 0.00 H new ATOM 0 HG2 PRO A 554 32.623 -14.206 19.503 1.00 0.00 H new ATOM 0 HG3 PRO A 554 32.733 -15.070 17.982 1.00 0.00 H new ATOM 0 HD2 PRO A 554 31.870 -12.424 18.174 1.00 0.00 H new ATOM 0 HD3 PRO A 554 31.441 -13.480 16.842 1.00 0.00 H new ATOM 339 N GLU A 555 28.914 -14.412 21.644 1.00 0.00 N ATOM 340 CA GLU A 555 28.936 -14.108 23.092 1.00 0.00 C ATOM 341 C GLU A 555 30.237 -14.567 23.787 1.00 0.00 C ATOM 342 O GLU A 555 30.582 -14.086 24.871 1.00 0.00 O ATOM 343 CB GLU A 555 27.710 -14.745 23.773 1.00 0.00 C ATOM 344 CG GLU A 555 26.365 -14.076 23.413 1.00 0.00 C ATOM 345 CD GLU A 555 26.031 -12.846 24.298 1.00 0.00 C ATOM 346 OE1 GLU A 555 24.851 -12.706 24.702 1.00 0.00 O ATOM 347 OE2 GLU A 555 26.913 -12.001 24.575 1.00 0.00 O ATOM 0 H GLU A 555 28.177 -15.064 21.376 1.00 0.00 H new ATOM 0 HA GLU A 555 28.899 -13.023 23.194 1.00 0.00 H new ATOM 0 HB2 GLU A 555 27.663 -15.799 23.499 1.00 0.00 H new ATOM 0 HB3 GLU A 555 27.846 -14.702 24.854 1.00 0.00 H new ATOM 0 HG2 GLU A 555 26.390 -13.766 22.368 1.00 0.00 H new ATOM 0 HG3 GLU A 555 25.565 -14.811 23.508 1.00 0.00 H new ATOM 354 N THR A 556 30.992 -15.462 23.139 1.00 0.00 N ATOM 355 CA THR A 556 32.340 -15.895 23.533 1.00 0.00 C ATOM 356 C THR A 556 33.372 -14.761 23.459 1.00 0.00 C ATOM 357 O THR A 556 34.361 -14.791 24.195 1.00 0.00 O ATOM 358 CB THR A 556 32.801 -17.059 22.637 1.00 0.00 C ATOM 359 OG1 THR A 556 31.783 -18.037 22.525 1.00 0.00 O ATOM 360 CG2 THR A 556 34.070 -17.772 23.109 1.00 0.00 C ATOM 0 H THR A 556 30.668 -15.924 22.290 1.00 0.00 H new ATOM 0 HA THR A 556 32.277 -16.216 24.573 1.00 0.00 H new ATOM 0 HB THR A 556 33.024 -16.587 21.680 1.00 0.00 H new ATOM 0 HG1 THR A 556 32.093 -18.768 21.951 1.00 0.00 H new ATOM 0 HG21 THR A 556 34.315 -18.576 22.415 1.00 0.00 H new ATOM 0 HG22 THR A 556 34.895 -17.060 23.146 1.00 0.00 H new ATOM 0 HG23 THR A 556 33.905 -18.189 24.103 1.00 0.00 H new ATOM 368 N SER A 557 33.173 -13.753 22.598 1.00 0.00 N ATOM 369 CA SER A 557 34.101 -12.618 22.465 1.00 0.00 C ATOM 370 C SER A 557 34.055 -11.694 23.690 1.00 0.00 C ATOM 371 O SER A 557 32.984 -11.195 24.055 1.00 0.00 O ATOM 372 CB SER A 557 33.810 -11.814 21.194 1.00 0.00 C ATOM 373 OG SER A 557 34.792 -10.805 21.039 1.00 0.00 O ATOM 0 H SER A 557 32.367 -13.700 21.975 1.00 0.00 H new ATOM 0 HA SER A 557 35.105 -13.038 22.396 1.00 0.00 H new ATOM 0 HB2 SER A 557 33.810 -12.473 20.326 1.00 0.00 H new ATOM 0 HB3 SER A 557 32.818 -11.365 21.254 1.00 0.00 H new ATOM 0 HG SER A 557 34.608 -10.291 20.225 1.00 0.00 H new ATOM 379 N GLN A 558 35.217 -11.441 24.298 1.00 0.00 N ATOM 380 CA GLN A 558 35.354 -10.520 25.432 1.00 0.00 C ATOM 381 C GLN A 558 35.278 -9.030 25.013 1.00 0.00 C ATOM 382 O GLN A 558 34.879 -8.188 25.818 1.00 0.00 O ATOM 383 CB GLN A 558 36.677 -10.854 26.148 1.00 0.00 C ATOM 384 CG GLN A 558 36.936 -9.984 27.389 1.00 0.00 C ATOM 385 CD GLN A 558 38.077 -10.504 28.266 1.00 0.00 C ATOM 386 OE1 GLN A 558 38.238 -11.696 28.511 1.00 0.00 O ATOM 387 NE2 GLN A 558 38.926 -9.631 28.776 1.00 0.00 N ATOM 0 H GLN A 558 36.097 -11.873 24.016 1.00 0.00 H new ATOM 0 HA GLN A 558 34.513 -10.657 26.112 1.00 0.00 H new ATOM 0 HB2 GLN A 558 36.666 -11.903 26.444 1.00 0.00 H new ATOM 0 HB3 GLN A 558 37.502 -10.729 25.447 1.00 0.00 H new ATOM 0 HG2 GLN A 558 37.167 -8.968 27.070 1.00 0.00 H new ATOM 0 HG3 GLN A 558 36.024 -9.932 27.984 1.00 0.00 H new ATOM 0 HE21 GLN A 558 38.810 -8.636 28.585 1.00 0.00 H new ATOM 0 HE22 GLN A 558 39.697 -9.952 29.361 1.00 0.00 H new ATOM 396 N ASP A 559 35.652 -8.701 23.770 1.00 0.00 N ATOM 397 CA ASP A 559 35.789 -7.320 23.277 1.00 0.00 C ATOM 398 C ASP A 559 34.858 -6.971 22.096 1.00 0.00 C ATOM 399 O ASP A 559 34.722 -5.794 21.751 1.00 0.00 O ATOM 400 CB ASP A 559 37.266 -7.069 22.922 1.00 0.00 C ATOM 401 CG ASP A 559 37.677 -5.580 22.873 1.00 0.00 C ATOM 402 OD1 ASP A 559 37.118 -4.738 23.621 1.00 0.00 O ATOM 403 OD2 ASP A 559 38.639 -5.257 22.132 1.00 0.00 O ATOM 0 H ASP A 559 35.873 -9.401 23.062 1.00 0.00 H new ATOM 0 HA ASP A 559 35.470 -6.654 24.079 1.00 0.00 H new ATOM 0 HB2 ASP A 559 37.893 -7.580 23.653 1.00 0.00 H new ATOM 0 HB3 ASP A 559 37.474 -7.521 21.952 1.00 0.00 H new ATOM 408 N MET A 560 34.204 -7.966 21.483 1.00 0.00 N ATOM 409 CA MET A 560 33.240 -7.817 20.377 1.00 0.00 C ATOM 410 C MET A 560 33.824 -7.089 19.150 1.00 0.00 C ATOM 411 O MET A 560 33.120 -6.329 18.480 1.00 0.00 O ATOM 412 CB MET A 560 31.917 -7.201 20.875 1.00 0.00 C ATOM 413 CG MET A 560 31.288 -8.008 22.018 1.00 0.00 C ATOM 414 SD MET A 560 29.827 -7.250 22.791 1.00 0.00 S ATOM 415 CE MET A 560 28.550 -7.660 21.563 1.00 0.00 C ATOM 0 H MET A 560 34.336 -8.941 21.754 1.00 0.00 H new ATOM 0 HA MET A 560 33.013 -8.820 20.016 1.00 0.00 H new ATOM 0 HB2 MET A 560 32.099 -6.181 21.212 1.00 0.00 H new ATOM 0 HB3 MET A 560 31.212 -7.142 20.045 1.00 0.00 H new ATOM 0 HG2 MET A 560 31.009 -8.990 21.637 1.00 0.00 H new ATOM 0 HG3 MET A 560 32.044 -8.168 22.787 1.00 0.00 H new ATOM 0 HE1 MET A 560 27.586 -7.279 21.899 1.00 0.00 H new ATOM 0 HE2 MET A 560 28.806 -7.205 20.606 1.00 0.00 H new ATOM 0 HE3 MET A 560 28.491 -8.742 21.446 1.00 0.00 H new ATOM 425 N ALA A 561 35.118 -7.301 18.862 1.00 0.00 N ATOM 426 CA ALA A 561 35.875 -6.525 17.874 1.00 0.00 C ATOM 427 C ALA A 561 36.846 -7.339 16.987 1.00 0.00 C ATOM 428 O ALA A 561 37.376 -8.371 17.399 1.00 0.00 O ATOM 429 CB ALA A 561 36.616 -5.417 18.627 1.00 0.00 C ATOM 0 H ALA A 561 35.673 -8.026 19.316 1.00 0.00 H new ATOM 0 HA ALA A 561 35.156 -6.125 17.159 1.00 0.00 H new ATOM 0 HB1 ALA A 561 37.191 -4.819 17.920 1.00 0.00 H new ATOM 0 HB2 ALA A 561 35.895 -4.780 19.139 1.00 0.00 H new ATOM 0 HB3 ALA A 561 37.290 -5.862 19.358 1.00 0.00 H new ATOM 435 N PHE A 562 37.100 -6.797 15.790 1.00 0.00 N ATOM 436 CA PHE A 562 38.122 -7.195 14.799 1.00 0.00 C ATOM 437 C PHE A 562 38.589 -5.936 14.034 1.00 0.00 C ATOM 438 O PHE A 562 38.031 -4.860 14.234 1.00 0.00 O ATOM 439 CB PHE A 562 37.551 -8.260 13.841 1.00 0.00 C ATOM 440 CG PHE A 562 37.577 -9.684 14.369 1.00 0.00 C ATOM 441 CD1 PHE A 562 36.384 -10.423 14.491 1.00 0.00 C ATOM 442 CD2 PHE A 562 38.808 -10.289 14.694 1.00 0.00 C ATOM 443 CE1 PHE A 562 36.421 -11.752 14.958 1.00 0.00 C ATOM 444 CE2 PHE A 562 38.843 -11.613 15.174 1.00 0.00 C ATOM 445 CZ PHE A 562 37.648 -12.340 15.309 1.00 0.00 C ATOM 0 H PHE A 562 36.554 -6.003 15.457 1.00 0.00 H new ATOM 0 HA PHE A 562 38.980 -7.639 15.303 1.00 0.00 H new ATOM 0 HB2 PHE A 562 36.521 -7.996 13.603 1.00 0.00 H new ATOM 0 HB3 PHE A 562 38.113 -8.225 12.908 1.00 0.00 H new ATOM 0 HD1 PHE A 562 35.440 -9.970 14.226 1.00 0.00 H new ATOM 0 HD2 PHE A 562 39.728 -9.735 14.575 1.00 0.00 H new ATOM 0 HE1 PHE A 562 35.506 -12.319 15.046 1.00 0.00 H new ATOM 0 HE2 PHE A 562 39.786 -12.068 15.438 1.00 0.00 H new ATOM 0 HZ PHE A 562 37.673 -13.353 15.683 1.00 0.00 H new ATOM 455 N LYS A 563 39.598 -6.042 13.164 1.00 0.00 N ATOM 456 CA LYS A 563 40.207 -4.896 12.448 1.00 0.00 C ATOM 457 C LYS A 563 40.369 -5.144 10.940 1.00 0.00 C ATOM 458 O LYS A 563 40.721 -6.251 10.535 1.00 0.00 O ATOM 459 CB LYS A 563 41.520 -4.505 13.158 1.00 0.00 C ATOM 460 CG LYS A 563 42.246 -3.315 12.504 1.00 0.00 C ATOM 461 CD LYS A 563 43.340 -2.683 13.379 1.00 0.00 C ATOM 462 CE LYS A 563 44.522 -3.605 13.716 1.00 0.00 C ATOM 463 NZ LYS A 563 44.323 -4.360 14.984 1.00 0.00 N ATOM 0 H LYS A 563 40.028 -6.936 12.928 1.00 0.00 H new ATOM 0 HA LYS A 563 39.526 -4.046 12.495 1.00 0.00 H new ATOM 0 HB2 LYS A 563 41.302 -4.259 14.197 1.00 0.00 H new ATOM 0 HB3 LYS A 563 42.188 -5.366 13.168 1.00 0.00 H new ATOM 0 HG2 LYS A 563 42.693 -3.648 11.567 1.00 0.00 H new ATOM 0 HG3 LYS A 563 41.511 -2.550 12.252 1.00 0.00 H new ATOM 0 HD2 LYS A 563 43.723 -1.798 12.871 1.00 0.00 H new ATOM 0 HD3 LYS A 563 42.887 -2.344 14.311 1.00 0.00 H new ATOM 0 HE2 LYS A 563 44.671 -4.310 12.898 1.00 0.00 H new ATOM 0 HE3 LYS A 563 45.431 -3.009 13.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 563 45.190 -4.886 15.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 563 44.107 -3.695 15.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 563 43.533 -5.027 14.871 1.00 0.00 H new ATOM 477 N CYS A 564 40.142 -4.093 10.142 1.00 0.00 N ATOM 478 CA CYS A 564 40.359 -3.996 8.698 1.00 0.00 C ATOM 479 C CYS A 564 41.834 -3.658 8.380 1.00 0.00 C ATOM 480 O CYS A 564 42.250 -2.543 8.707 1.00 0.00 O ATOM 481 CB CYS A 564 39.471 -2.851 8.183 1.00 0.00 C ATOM 482 SG CYS A 564 39.408 -2.847 6.356 1.00 0.00 S ATOM 0 H CYS A 564 39.773 -3.221 10.522 1.00 0.00 H new ATOM 0 HA CYS A 564 40.117 -4.948 8.225 1.00 0.00 H new ATOM 0 HB2 CYS A 564 38.464 -2.957 8.586 1.00 0.00 H new ATOM 0 HB3 CYS A 564 39.858 -1.896 8.540 1.00 0.00 H new ATOM 0 HG CYS A 564 38.340 -2.220 5.960 1.00 0.00 H new ATOM 487 N PRO A 565 42.613 -4.543 7.724 1.00 0.00 N ATOM 488 CA PRO A 565 43.979 -4.235 7.278 1.00 0.00 C ATOM 489 C PRO A 565 44.083 -3.114 6.230 1.00 0.00 C ATOM 490 O PRO A 565 45.122 -2.456 6.151 1.00 0.00 O ATOM 491 CB PRO A 565 44.525 -5.549 6.700 1.00 0.00 C ATOM 492 CG PRO A 565 43.689 -6.627 7.386 1.00 0.00 C ATOM 493 CD PRO A 565 42.329 -5.957 7.538 1.00 0.00 C ATOM 0 HA PRO A 565 44.549 -3.857 8.127 1.00 0.00 H new ATOM 0 HB2 PRO A 565 44.413 -5.586 5.616 1.00 0.00 H new ATOM 0 HB3 PRO A 565 45.587 -5.669 6.915 1.00 0.00 H new ATOM 0 HG2 PRO A 565 43.628 -7.534 6.785 1.00 0.00 H new ATOM 0 HG3 PRO A 565 44.109 -6.912 8.351 1.00 0.00 H new ATOM 0 HD2 PRO A 565 41.710 -6.121 6.656 1.00 0.00 H new ATOM 0 HD3 PRO A 565 41.784 -6.364 8.390 1.00 0.00 H new ATOM 501 N ILE A 566 43.035 -2.883 5.427 1.00 0.00 N ATOM 502 CA ILE A 566 43.046 -1.936 4.294 1.00 0.00 C ATOM 503 C ILE A 566 43.097 -0.482 4.776 1.00 0.00 C ATOM 504 O ILE A 566 44.004 0.267 4.401 1.00 0.00 O ATOM 505 CB ILE A 566 41.840 -2.190 3.354 1.00 0.00 C ATOM 506 CG1 ILE A 566 41.959 -3.579 2.678 1.00 0.00 C ATOM 507 CG2 ILE A 566 41.735 -1.097 2.271 1.00 0.00 C ATOM 508 CD1 ILE A 566 40.672 -4.070 1.999 1.00 0.00 C ATOM 0 H ILE A 566 42.139 -3.355 5.545 1.00 0.00 H new ATOM 0 HA ILE A 566 43.956 -2.110 3.719 1.00 0.00 H new ATOM 0 HB ILE A 566 40.937 -2.163 3.964 1.00 0.00 H new ATOM 0 HG12 ILE A 566 42.755 -3.540 1.934 1.00 0.00 H new ATOM 0 HG13 ILE A 566 42.260 -4.310 3.429 1.00 0.00 H new ATOM 0 HG21 ILE A 566 40.880 -1.303 1.628 1.00 0.00 H new ATOM 0 HG22 ILE A 566 41.605 -0.125 2.747 1.00 0.00 H new ATOM 0 HG23 ILE A 566 42.646 -1.089 1.672 1.00 0.00 H new ATOM 0 HD11 ILE A 566 40.847 -5.049 1.553 1.00 0.00 H new ATOM 0 HD12 ILE A 566 39.876 -4.146 2.740 1.00 0.00 H new ATOM 0 HD13 ILE A 566 40.378 -3.364 1.222 1.00 0.00 H new ATOM 520 N CYS A 567 42.141 -0.086 5.624 1.00 0.00 N ATOM 521 CA CYS A 567 42.033 1.259 6.192 1.00 0.00 C ATOM 522 C CYS A 567 42.502 1.349 7.670 1.00 0.00 C ATOM 523 O CYS A 567 42.464 2.426 8.277 1.00 0.00 O ATOM 524 CB CYS A 567 40.602 1.776 5.946 1.00 0.00 C ATOM 525 SG CYS A 567 39.393 1.003 7.063 1.00 0.00 S ATOM 0 H CYS A 567 41.401 -0.712 5.942 1.00 0.00 H new ATOM 0 HA CYS A 567 42.731 1.923 5.682 1.00 0.00 H new ATOM 0 HB2 CYS A 567 40.580 2.857 6.081 1.00 0.00 H new ATOM 0 HB3 CYS A 567 40.318 1.578 4.912 1.00 0.00 H new ATOM 0 HG CYS A 567 39.369 -0.280 6.855 1.00 0.00 H new ATOM 530 N LYS A 568 42.962 0.216 8.230 1.00 0.00 N ATOM 531 CA LYS A 568 43.457 0.058 9.617 1.00 0.00 C ATOM 532 C LYS A 568 42.383 0.391 10.665 1.00 0.00 C ATOM 533 O LYS A 568 42.686 1.039 11.669 1.00 0.00 O ATOM 534 CB LYS A 568 44.810 0.780 9.813 1.00 0.00 C ATOM 535 CG LYS A 568 45.905 0.277 8.851 1.00 0.00 C ATOM 536 CD LYS A 568 47.230 1.043 9.017 1.00 0.00 C ATOM 537 CE LYS A 568 47.927 0.857 10.378 1.00 0.00 C ATOM 538 NZ LYS A 568 48.487 -0.513 10.546 1.00 0.00 N ATOM 0 H LYS A 568 43.002 -0.658 7.706 1.00 0.00 H new ATOM 0 HA LYS A 568 43.668 -0.998 9.788 1.00 0.00 H new ATOM 0 HB2 LYS A 568 44.669 1.851 9.666 1.00 0.00 H new ATOM 0 HB3 LYS A 568 45.145 0.640 10.841 1.00 0.00 H new ATOM 0 HG2 LYS A 568 46.078 -0.785 9.026 1.00 0.00 H new ATOM 0 HG3 LYS A 568 45.556 0.378 7.823 1.00 0.00 H new ATOM 0 HD2 LYS A 568 47.915 0.728 8.230 1.00 0.00 H new ATOM 0 HD3 LYS A 568 47.039 2.105 8.867 1.00 0.00 H new ATOM 0 HE2 LYS A 568 48.729 1.589 10.476 1.00 0.00 H new ATOM 0 HE3 LYS A 568 47.214 1.056 11.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 48.945 -0.589 11.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 47.720 -1.212 10.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 49.187 -0.696 9.799 1.00 0.00 H new ATOM 552 N GLU A 569 41.128 -0.036 10.450 1.00 0.00 N ATOM 553 CA GLU A 569 39.998 0.345 11.336 1.00 0.00 C ATOM 554 C GLU A 569 39.387 -0.823 12.110 1.00 0.00 C ATOM 555 O GLU A 569 39.059 -1.859 11.535 1.00 0.00 O ATOM 556 CB GLU A 569 38.865 1.020 10.560 1.00 0.00 C ATOM 557 CG GLU A 569 39.146 2.483 10.202 1.00 0.00 C ATOM 558 CD GLU A 569 37.999 3.201 9.452 1.00 0.00 C ATOM 559 OE1 GLU A 569 38.248 4.297 8.892 1.00 0.00 O ATOM 560 OE2 GLU A 569 36.831 2.728 9.460 1.00 0.00 O ATOM 0 H GLU A 569 40.863 -0.644 9.675 1.00 0.00 H new ATOM 0 HA GLU A 569 40.450 1.036 12.048 1.00 0.00 H new ATOM 0 HB2 GLU A 569 38.682 0.460 9.643 1.00 0.00 H new ATOM 0 HB3 GLU A 569 37.951 0.970 11.152 1.00 0.00 H new ATOM 0 HG2 GLU A 569 39.361 3.032 11.119 1.00 0.00 H new ATOM 0 HG3 GLU A 569 40.045 2.525 9.587 1.00 0.00 H new ATOM 567 N THR A 570 39.162 -0.618 13.407 1.00 0.00 N ATOM 568 CA THR A 570 38.535 -1.603 14.299 1.00 0.00 C ATOM 569 C THR A 570 37.002 -1.542 14.208 1.00 0.00 C ATOM 570 O THR A 570 36.396 -0.514 14.526 1.00 0.00 O ATOM 571 CB THR A 570 39.006 -1.404 15.748 1.00 0.00 C ATOM 572 OG1 THR A 570 40.414 -1.539 15.812 1.00 0.00 O ATOM 573 CG2 THR A 570 38.423 -2.434 16.717 1.00 0.00 C ATOM 0 H THR A 570 39.413 0.251 13.879 1.00 0.00 H new ATOM 0 HA THR A 570 38.847 -2.595 13.972 1.00 0.00 H new ATOM 0 HB THR A 570 38.667 -0.410 16.040 1.00 0.00 H new ATOM 0 HG1 THR A 570 40.713 -1.410 16.736 1.00 0.00 H new ATOM 0 HG21 THR A 570 38.794 -2.238 17.723 1.00 0.00 H new ATOM 0 HG22 THR A 570 37.335 -2.364 16.712 1.00 0.00 H new ATOM 0 HG23 THR A 570 38.723 -3.435 16.408 1.00 0.00 H new ATOM 581 N VAL A 571 36.369 -2.639 13.785 1.00 0.00 N ATOM 582 CA VAL A 571 34.910 -2.844 13.858 1.00 0.00 C ATOM 583 C VAL A 571 34.500 -3.317 15.251 1.00 0.00 C ATOM 584 O VAL A 571 35.246 -4.041 15.914 1.00 0.00 O ATOM 585 CB VAL A 571 34.379 -3.835 12.813 1.00 0.00 C ATOM 586 CG1 VAL A 571 34.293 -3.182 11.436 1.00 0.00 C ATOM 587 CG2 VAL A 571 35.180 -5.134 12.703 1.00 0.00 C ATOM 0 H VAL A 571 36.863 -3.430 13.372 1.00 0.00 H new ATOM 0 HA VAL A 571 34.464 -1.873 13.642 1.00 0.00 H new ATOM 0 HB VAL A 571 33.387 -4.109 13.171 1.00 0.00 H new ATOM 0 HG11 VAL A 571 33.914 -3.905 10.714 1.00 0.00 H new ATOM 0 HG12 VAL A 571 33.619 -2.326 11.481 1.00 0.00 H new ATOM 0 HG13 VAL A 571 35.284 -2.848 11.129 1.00 0.00 H new ATOM 0 HG21 VAL A 571 34.734 -5.773 11.941 1.00 0.00 H new ATOM 0 HG22 VAL A 571 36.209 -4.905 12.426 1.00 0.00 H new ATOM 0 HG23 VAL A 571 35.169 -5.651 13.663 1.00 0.00 H new ATOM 597 N THR A 572 33.292 -2.954 15.674 1.00 0.00 N ATOM 598 CA THR A 572 32.678 -3.352 16.952 1.00 0.00 C ATOM 599 C THR A 572 31.232 -3.828 16.751 1.00 0.00 C ATOM 600 O THR A 572 30.581 -3.494 15.757 1.00 0.00 O ATOM 601 CB THR A 572 32.743 -2.231 18.002 1.00 0.00 C ATOM 602 OG1 THR A 572 32.047 -1.089 17.546 1.00 0.00 O ATOM 603 CG2 THR A 572 34.179 -1.814 18.334 1.00 0.00 C ATOM 0 H THR A 572 32.685 -2.351 15.119 1.00 0.00 H new ATOM 0 HA THR A 572 33.263 -4.188 17.335 1.00 0.00 H new ATOM 0 HB THR A 572 32.282 -2.633 18.905 1.00 0.00 H new ATOM 0 HG1 THR A 572 32.095 -0.384 18.225 1.00 0.00 H new ATOM 0 HG21 THR A 572 34.164 -1.020 19.080 1.00 0.00 H new ATOM 0 HG22 THR A 572 34.725 -2.671 18.727 1.00 0.00 H new ATOM 0 HG23 THR A 572 34.671 -1.454 17.431 1.00 0.00 H new ATOM 611 N GLY A 573 30.735 -4.648 17.684 1.00 0.00 N ATOM 612 CA GLY A 573 29.387 -5.215 17.634 1.00 0.00 C ATOM 613 C GLY A 573 28.250 -4.196 17.757 1.00 0.00 C ATOM 614 O GLY A 573 28.307 -3.275 18.578 1.00 0.00 O ATOM 0 H GLY A 573 31.266 -4.939 18.505 1.00 0.00 H new ATOM 0 HA2 GLY A 573 29.271 -5.754 16.694 1.00 0.00 H new ATOM 0 HA3 GLY A 573 29.287 -5.947 18.436 1.00 0.00 H new ATOM 618 N VAL A 574 27.180 -4.406 16.981 1.00 0.00 N ATOM 619 CA VAL A 574 25.967 -3.572 16.963 1.00 0.00 C ATOM 620 C VAL A 574 24.711 -4.451 16.981 1.00 0.00 C ATOM 621 O VAL A 574 24.629 -5.402 16.211 1.00 0.00 O ATOM 622 CB VAL A 574 25.956 -2.654 15.717 1.00 0.00 C ATOM 623 CG1 VAL A 574 24.690 -1.783 15.647 1.00 0.00 C ATOM 624 CG2 VAL A 574 27.160 -1.712 15.692 1.00 0.00 C ATOM 0 H VAL A 574 27.131 -5.186 16.326 1.00 0.00 H new ATOM 0 HA VAL A 574 25.970 -2.947 17.856 1.00 0.00 H new ATOM 0 HB VAL A 574 25.989 -3.331 14.863 1.00 0.00 H new ATOM 0 HG11 VAL A 574 24.728 -1.156 14.756 1.00 0.00 H new ATOM 0 HG12 VAL A 574 23.809 -2.424 15.602 1.00 0.00 H new ATOM 0 HG13 VAL A 574 24.634 -1.151 16.533 1.00 0.00 H new ATOM 0 HG21 VAL A 574 27.113 -1.086 14.801 1.00 0.00 H new ATOM 0 HG22 VAL A 574 27.147 -1.081 16.581 1.00 0.00 H new ATOM 0 HG23 VAL A 574 28.080 -2.297 15.676 1.00 0.00 H new ATOM 634 N TYR A 575 23.740 -4.167 17.851 1.00 0.00 N ATOM 635 CA TYR A 575 22.567 -5.031 18.030 1.00 0.00 C ATOM 636 C TYR A 575 21.554 -4.944 16.870 1.00 0.00 C ATOM 637 O TYR A 575 21.050 -3.864 16.541 1.00 0.00 O ATOM 638 CB TYR A 575 21.902 -4.711 19.379 1.00 0.00 C ATOM 639 CG TYR A 575 20.744 -5.631 19.732 1.00 0.00 C ATOM 640 CD1 TYR A 575 19.416 -5.168 19.676 1.00 0.00 C ATOM 641 CD2 TYR A 575 21.006 -6.955 20.132 1.00 0.00 C ATOM 642 CE1 TYR A 575 18.354 -6.012 20.047 1.00 0.00 C ATOM 643 CE2 TYR A 575 19.946 -7.807 20.492 1.00 0.00 C ATOM 644 CZ TYR A 575 18.614 -7.336 20.462 1.00 0.00 C ATOM 645 OH TYR A 575 17.583 -8.156 20.804 1.00 0.00 O ATOM 0 H TYR A 575 23.742 -3.340 18.448 1.00 0.00 H new ATOM 0 HA TYR A 575 22.918 -6.063 18.026 1.00 0.00 H new ATOM 0 HB2 TYR A 575 22.654 -4.772 20.166 1.00 0.00 H new ATOM 0 HB3 TYR A 575 21.542 -3.682 19.360 1.00 0.00 H new ATOM 0 HD1 TYR A 575 19.212 -4.160 19.347 1.00 0.00 H new ATOM 0 HD2 TYR A 575 22.023 -7.317 20.163 1.00 0.00 H new ATOM 0 HE1 TYR A 575 17.338 -5.647 20.014 1.00 0.00 H new ATOM 0 HE2 TYR A 575 20.151 -8.824 20.792 1.00 0.00 H new ATOM 0 HH TYR A 575 17.935 -9.033 21.065 1.00 0.00 H new ATOM 655 N ASP A 576 21.249 -6.096 16.267 1.00 0.00 N ATOM 656 CA ASP A 576 20.158 -6.284 15.304 1.00 0.00 C ATOM 657 C ASP A 576 18.887 -6.745 16.047 1.00 0.00 C ATOM 658 O ASP A 576 18.850 -7.842 16.610 1.00 0.00 O ATOM 659 CB ASP A 576 20.606 -7.292 14.238 1.00 0.00 C ATOM 660 CG ASP A 576 19.589 -7.564 13.108 1.00 0.00 C ATOM 661 OD1 ASP A 576 18.374 -7.309 13.264 1.00 0.00 O ATOM 662 OD2 ASP A 576 20.011 -8.069 12.043 1.00 0.00 O ATOM 0 H ASP A 576 21.772 -6.954 16.441 1.00 0.00 H new ATOM 0 HA ASP A 576 19.918 -5.347 14.802 1.00 0.00 H new ATOM 0 HB2 ASP A 576 21.532 -6.932 13.790 1.00 0.00 H new ATOM 0 HB3 ASP A 576 20.836 -8.237 14.731 1.00 0.00 H new ATOM 667 N GLU A 577 17.849 -5.904 16.031 1.00 0.00 N ATOM 668 CA GLU A 577 16.589 -6.124 16.756 1.00 0.00 C ATOM 669 C GLU A 577 15.710 -7.246 16.164 1.00 0.00 C ATOM 670 O GLU A 577 14.918 -7.861 16.886 1.00 0.00 O ATOM 671 CB GLU A 577 15.762 -4.823 16.789 1.00 0.00 C ATOM 672 CG GLU A 577 16.467 -3.651 17.487 1.00 0.00 C ATOM 673 CD GLU A 577 15.661 -2.335 17.384 1.00 0.00 C ATOM 674 OE1 GLU A 577 16.248 -1.294 16.983 1.00 0.00 O ATOM 675 OE2 GLU A 577 14.452 -2.315 17.720 1.00 0.00 O ATOM 0 H GLU A 577 17.859 -5.031 15.503 1.00 0.00 H new ATOM 0 HA GLU A 577 16.881 -6.436 17.759 1.00 0.00 H new ATOM 0 HB2 GLU A 577 15.522 -4.532 15.767 1.00 0.00 H new ATOM 0 HB3 GLU A 577 14.817 -5.018 17.295 1.00 0.00 H new ATOM 0 HG2 GLU A 577 16.623 -3.897 18.537 1.00 0.00 H new ATOM 0 HG3 GLU A 577 17.452 -3.507 17.044 1.00 0.00 H new ATOM 682 N GLU A 578 15.816 -7.524 14.861 1.00 0.00 N ATOM 683 CA GLU A 578 15.031 -8.563 14.166 1.00 0.00 C ATOM 684 C GLU A 578 15.716 -9.934 14.220 1.00 0.00 C ATOM 685 O GLU A 578 15.051 -10.948 14.431 1.00 0.00 O ATOM 686 CB GLU A 578 14.777 -8.148 12.700 1.00 0.00 C ATOM 687 CG GLU A 578 13.858 -6.924 12.521 1.00 0.00 C ATOM 688 CD GLU A 578 12.359 -7.172 12.831 1.00 0.00 C ATOM 689 OE1 GLU A 578 11.945 -8.283 13.244 1.00 0.00 O ATOM 690 OE2 GLU A 578 11.555 -6.221 12.649 1.00 0.00 O ATOM 0 H GLU A 578 16.459 -7.028 14.244 1.00 0.00 H new ATOM 0 HA GLU A 578 14.077 -8.655 14.685 1.00 0.00 H new ATOM 0 HB2 GLU A 578 15.736 -7.936 12.227 1.00 0.00 H new ATOM 0 HB3 GLU A 578 14.339 -8.993 12.169 1.00 0.00 H new ATOM 0 HG2 GLU A 578 14.218 -6.122 13.166 1.00 0.00 H new ATOM 0 HG3 GLU A 578 13.946 -6.571 11.494 1.00 0.00 H new ATOM 697 N SER A 579 17.051 -9.975 14.082 1.00 0.00 N ATOM 698 CA SER A 579 17.845 -11.191 14.327 1.00 0.00 C ATOM 699 C SER A 579 17.910 -11.547 15.822 1.00 0.00 C ATOM 700 O SER A 579 17.892 -12.725 16.197 1.00 0.00 O ATOM 701 CB SER A 579 19.261 -10.999 13.774 1.00 0.00 C ATOM 702 OG SER A 579 20.037 -12.180 13.900 1.00 0.00 O ATOM 0 H SER A 579 17.609 -9.170 13.799 1.00 0.00 H new ATOM 0 HA SER A 579 17.354 -12.019 13.816 1.00 0.00 H new ATOM 0 HB2 SER A 579 19.206 -10.710 12.725 1.00 0.00 H new ATOM 0 HB3 SER A 579 19.751 -10.183 14.304 1.00 0.00 H new ATOM 0 HG SER A 579 20.933 -12.023 13.536 1.00 0.00 H new ATOM 708 N GLY A 580 17.948 -10.522 16.685 1.00 0.00 N ATOM 709 CA GLY A 580 18.085 -10.650 18.139 1.00 0.00 C ATOM 710 C GLY A 580 19.537 -10.859 18.586 1.00 0.00 C ATOM 711 O GLY A 580 19.775 -11.501 19.615 1.00 0.00 O ATOM 0 H GLY A 580 17.882 -9.551 16.379 1.00 0.00 H new ATOM 0 HA2 GLY A 580 17.689 -9.754 18.616 1.00 0.00 H new ATOM 0 HA3 GLY A 580 17.480 -11.489 18.483 1.00 0.00 H new ATOM 715 N GLU A 581 20.507 -10.400 17.791 1.00 0.00 N ATOM 716 CA GLU A 581 21.941 -10.686 17.961 1.00 0.00 C ATOM 717 C GLU A 581 22.813 -9.458 17.640 1.00 0.00 C ATOM 718 O GLU A 581 22.439 -8.614 16.831 1.00 0.00 O ATOM 719 CB GLU A 581 22.367 -11.846 17.045 1.00 0.00 C ATOM 720 CG GLU A 581 21.704 -13.209 17.319 1.00 0.00 C ATOM 721 CD GLU A 581 21.994 -13.810 18.714 1.00 0.00 C ATOM 722 OE1 GLU A 581 21.224 -14.700 19.153 1.00 0.00 O ATOM 723 OE2 GLU A 581 23.014 -13.465 19.360 1.00 0.00 O ATOM 0 H GLU A 581 20.315 -9.802 16.987 1.00 0.00 H new ATOM 0 HA GLU A 581 22.090 -10.956 19.006 1.00 0.00 H new ATOM 0 HB2 GLU A 581 22.155 -11.563 16.014 1.00 0.00 H new ATOM 0 HB3 GLU A 581 23.447 -11.968 17.127 1.00 0.00 H new ATOM 0 HG2 GLU A 581 20.625 -13.101 17.204 1.00 0.00 H new ATOM 0 HG3 GLU A 581 22.036 -13.917 16.559 1.00 0.00 H new ATOM 730 N TRP A 582 23.995 -9.370 18.252 1.00 0.00 N ATOM 731 CA TRP A 582 25.011 -8.366 17.925 1.00 0.00 C ATOM 732 C TRP A 582 25.751 -8.741 16.629 1.00 0.00 C ATOM 733 O TRP A 582 26.089 -9.905 16.428 1.00 0.00 O ATOM 734 CB TRP A 582 25.949 -8.196 19.127 1.00 0.00 C ATOM 735 CG TRP A 582 25.283 -7.695 20.380 1.00 0.00 C ATOM 736 CD1 TRP A 582 24.659 -8.465 21.298 1.00 0.00 C ATOM 737 CD2 TRP A 582 25.143 -6.318 20.860 1.00 0.00 C ATOM 738 NE1 TRP A 582 24.122 -7.670 22.293 1.00 0.00 N ATOM 739 CE2 TRP A 582 24.400 -6.336 22.074 1.00 0.00 C ATOM 740 CE3 TRP A 582 25.601 -5.061 20.409 1.00 0.00 C ATOM 741 CZ2 TRP A 582 24.103 -5.162 22.785 1.00 0.00 C ATOM 742 CZ3 TRP A 582 25.311 -3.881 21.119 1.00 0.00 C ATOM 743 CH2 TRP A 582 24.559 -3.929 22.303 1.00 0.00 C ATOM 0 H TRP A 582 24.278 -10.003 19.000 1.00 0.00 H new ATOM 0 HA TRP A 582 24.541 -7.402 17.731 1.00 0.00 H new ATOM 0 HB2 TRP A 582 26.420 -9.155 19.341 1.00 0.00 H new ATOM 0 HB3 TRP A 582 26.745 -7.504 18.854 1.00 0.00 H new ATOM 0 HD1 TRP A 582 24.590 -9.542 21.260 1.00 0.00 H new ATOM 0 HE1 TRP A 582 23.589 -8.024 23.087 1.00 0.00 H new ATOM 0 HE3 TRP A 582 26.185 -5.004 19.502 1.00 0.00 H new ATOM 0 HZ2 TRP A 582 23.527 -5.210 23.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 582 25.670 -2.932 20.750 1.00 0.00 H new ATOM 0 HH2 TRP A 582 24.333 -3.019 22.840 1.00 0.00 H new ATOM 754 N VAL A 583 26.023 -7.771 15.757 1.00 0.00 N ATOM 755 CA VAL A 583 26.640 -7.962 14.431 1.00 0.00 C ATOM 756 C VAL A 583 27.748 -6.944 14.124 1.00 0.00 C ATOM 757 O VAL A 583 27.705 -5.792 14.559 1.00 0.00 O ATOM 758 CB VAL A 583 25.592 -7.940 13.290 1.00 0.00 C ATOM 759 CG1 VAL A 583 24.631 -9.134 13.339 1.00 0.00 C ATOM 760 CG2 VAL A 583 24.752 -6.662 13.207 1.00 0.00 C ATOM 0 H VAL A 583 25.815 -6.792 15.955 1.00 0.00 H new ATOM 0 HA VAL A 583 27.097 -8.950 14.477 1.00 0.00 H new ATOM 0 HB VAL A 583 26.215 -7.992 12.397 1.00 0.00 H new ATOM 0 HG11 VAL A 583 23.921 -9.063 12.515 1.00 0.00 H new ATOM 0 HG12 VAL A 583 25.198 -10.061 13.251 1.00 0.00 H new ATOM 0 HG13 VAL A 583 24.091 -9.128 14.286 1.00 0.00 H new ATOM 0 HG21 VAL A 583 24.048 -6.742 12.378 1.00 0.00 H new ATOM 0 HG22 VAL A 583 24.202 -6.527 14.138 1.00 0.00 H new ATOM 0 HG23 VAL A 583 25.407 -5.806 13.045 1.00 0.00 H new ATOM 770 N TRP A 584 28.735 -7.378 13.346 1.00 0.00 N ATOM 771 CA TRP A 584 29.791 -6.560 12.735 1.00 0.00 C ATOM 772 C TRP A 584 29.299 -6.030 11.386 1.00 0.00 C ATOM 773 O TRP A 584 29.266 -6.768 10.399 1.00 0.00 O ATOM 774 CB TRP A 584 31.046 -7.435 12.590 1.00 0.00 C ATOM 775 CG TRP A 584 31.841 -7.635 13.843 1.00 0.00 C ATOM 776 CD1 TRP A 584 32.318 -6.636 14.618 1.00 0.00 C ATOM 777 CD2 TRP A 584 32.276 -8.876 14.478 1.00 0.00 C ATOM 778 NE1 TRP A 584 33.017 -7.166 15.688 1.00 0.00 N ATOM 779 CE2 TRP A 584 33.054 -8.545 15.628 1.00 0.00 C ATOM 780 CE3 TRP A 584 32.068 -10.247 14.215 1.00 0.00 C ATOM 781 CZ2 TRP A 584 33.602 -9.531 16.470 1.00 0.00 C ATOM 782 CZ3 TRP A 584 32.609 -11.241 15.049 1.00 0.00 C ATOM 783 CH2 TRP A 584 33.370 -10.886 16.177 1.00 0.00 C ATOM 0 H TRP A 584 28.829 -8.365 13.108 1.00 0.00 H new ATOM 0 HA TRP A 584 30.038 -5.698 13.354 1.00 0.00 H new ATOM 0 HB2 TRP A 584 30.745 -8.412 12.212 1.00 0.00 H new ATOM 0 HB3 TRP A 584 31.694 -6.988 11.837 1.00 0.00 H new ATOM 0 HD1 TRP A 584 32.175 -5.582 14.430 1.00 0.00 H new ATOM 0 HE1 TRP A 584 33.449 -6.610 16.426 1.00 0.00 H new ATOM 0 HE3 TRP A 584 31.482 -10.538 13.356 1.00 0.00 H new ATOM 0 HZ2 TRP A 584 34.193 -9.250 17.329 1.00 0.00 H new ATOM 0 HZ3 TRP A 584 32.439 -12.283 14.822 1.00 0.00 H new ATOM 0 HH2 TRP A 584 33.776 -11.654 16.818 1.00 0.00 H new ATOM 794 N LYS A 585 28.850 -4.776 11.366 1.00 0.00 N ATOM 795 CA LYS A 585 28.302 -4.110 10.163 1.00 0.00 C ATOM 796 C LYS A 585 29.385 -3.853 9.109 1.00 0.00 C ATOM 797 O LYS A 585 30.544 -3.621 9.454 1.00 0.00 O ATOM 798 CB LYS A 585 27.603 -2.793 10.550 1.00 0.00 C ATOM 799 CG LYS A 585 26.359 -2.954 11.446 1.00 0.00 C ATOM 800 CD LYS A 585 25.229 -3.763 10.789 1.00 0.00 C ATOM 801 CE LYS A 585 23.910 -3.677 11.578 1.00 0.00 C ATOM 802 NZ LYS A 585 23.233 -2.364 11.415 1.00 0.00 N ATOM 0 H LYS A 585 28.852 -4.177 12.192 1.00 0.00 H new ATOM 0 HA LYS A 585 27.569 -4.784 9.720 1.00 0.00 H new ATOM 0 HB2 LYS A 585 28.322 -2.155 11.064 1.00 0.00 H new ATOM 0 HB3 LYS A 585 27.310 -2.273 9.638 1.00 0.00 H new ATOM 0 HG2 LYS A 585 26.652 -3.443 12.375 1.00 0.00 H new ATOM 0 HG3 LYS A 585 25.981 -1.966 11.710 1.00 0.00 H new ATOM 0 HD2 LYS A 585 25.067 -3.398 9.775 1.00 0.00 H new ATOM 0 HD3 LYS A 585 25.533 -4.807 10.707 1.00 0.00 H new ATOM 0 HE2 LYS A 585 23.240 -4.471 11.247 1.00 0.00 H new ATOM 0 HE3 LYS A 585 24.111 -3.850 12.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 585 22.334 -2.370 11.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 585 23.845 -1.609 11.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 585 23.045 -2.193 10.406 1.00 0.00 H new ATOM 816 N ASN A 586 28.996 -3.886 7.829 1.00 0.00 N ATOM 817 CA ASN A 586 29.859 -3.653 6.663 1.00 0.00 C ATOM 818 C ASN A 586 31.118 -4.554 6.648 1.00 0.00 C ATOM 819 O ASN A 586 32.186 -4.115 6.223 1.00 0.00 O ATOM 820 CB ASN A 586 30.139 -2.135 6.538 1.00 0.00 C ATOM 821 CG ASN A 586 30.859 -1.732 5.254 1.00 0.00 C ATOM 822 OD1 ASN A 586 30.697 -2.320 4.199 1.00 0.00 O ATOM 823 ND2 ASN A 586 31.661 -0.694 5.293 1.00 0.00 N ATOM 0 H ASN A 586 28.031 -4.084 7.565 1.00 0.00 H new ATOM 0 HA ASN A 586 29.336 -3.961 5.758 1.00 0.00 H new ATOM 0 HB2 ASN A 586 29.193 -1.597 6.594 1.00 0.00 H new ATOM 0 HB3 ASN A 586 30.738 -1.816 7.391 1.00 0.00 H new ATOM 0 HD21 ASN A 586 32.140 -0.388 4.446 1.00 0.00 H new ATOM 0 HD22 ASN A 586 31.805 -0.193 6.170 1.00 0.00 H new ATOM 830 N THR A 587 31.015 -5.787 7.155 1.00 0.00 N ATOM 831 CA THR A 587 32.163 -6.692 7.369 1.00 0.00 C ATOM 832 C THR A 587 32.076 -7.968 6.520 1.00 0.00 C ATOM 833 O THR A 587 31.002 -8.543 6.349 1.00 0.00 O ATOM 834 CB THR A 587 32.331 -7.032 8.856 1.00 0.00 C ATOM 835 OG1 THR A 587 32.533 -5.851 9.597 1.00 0.00 O ATOM 836 CG2 THR A 587 33.539 -7.922 9.147 1.00 0.00 C ATOM 0 H THR A 587 30.123 -6.195 7.434 1.00 0.00 H new ATOM 0 HA THR A 587 33.050 -6.153 7.037 1.00 0.00 H new ATOM 0 HB THR A 587 31.419 -7.560 9.135 1.00 0.00 H new ATOM 0 HG1 THR A 587 31.741 -5.278 9.522 1.00 0.00 H new ATOM 0 HG21 THR A 587 33.595 -8.121 10.217 1.00 0.00 H new ATOM 0 HG22 THR A 587 33.436 -8.864 8.608 1.00 0.00 H new ATOM 0 HG23 THR A 587 34.449 -7.417 8.824 1.00 0.00 H new ATOM 844 N ILE A 588 33.233 -8.422 6.035 1.00 0.00 N ATOM 845 CA ILE A 588 33.451 -9.602 5.195 1.00 0.00 C ATOM 846 C ILE A 588 34.658 -10.405 5.713 1.00 0.00 C ATOM 847 O ILE A 588 35.643 -9.841 6.195 1.00 0.00 O ATOM 848 CB ILE A 588 33.595 -9.173 3.709 1.00 0.00 C ATOM 849 CG1 ILE A 588 33.955 -10.365 2.790 1.00 0.00 C ATOM 850 CG2 ILE A 588 34.642 -8.066 3.506 1.00 0.00 C ATOM 851 CD1 ILE A 588 33.855 -10.061 1.288 1.00 0.00 C ATOM 0 H ILE A 588 34.108 -7.938 6.234 1.00 0.00 H new ATOM 0 HA ILE A 588 32.588 -10.266 5.250 1.00 0.00 H new ATOM 0 HB ILE A 588 32.615 -8.784 3.434 1.00 0.00 H new ATOM 0 HG12 ILE A 588 34.971 -10.688 3.016 1.00 0.00 H new ATOM 0 HG13 ILE A 588 33.295 -11.201 3.024 1.00 0.00 H new ATOM 0 HG21 ILE A 588 34.698 -7.808 2.448 1.00 0.00 H new ATOM 0 HG22 ILE A 588 34.356 -7.185 4.080 1.00 0.00 H new ATOM 0 HG23 ILE A 588 35.616 -8.419 3.845 1.00 0.00 H new ATOM 0 HD11 ILE A 588 34.124 -10.950 0.718 1.00 0.00 H new ATOM 0 HD12 ILE A 588 32.834 -9.768 1.043 1.00 0.00 H new ATOM 0 HD13 ILE A 588 34.536 -9.248 1.035 1.00 0.00 H new ATOM 863 N GLU A 589 34.586 -11.733 5.603 1.00 0.00 N ATOM 864 CA GLU A 589 35.697 -12.654 5.867 1.00 0.00 C ATOM 865 C GLU A 589 36.163 -13.332 4.566 1.00 0.00 C ATOM 866 O GLU A 589 35.337 -13.778 3.763 1.00 0.00 O ATOM 867 CB GLU A 589 35.261 -13.686 6.924 1.00 0.00 C ATOM 868 CG GLU A 589 36.438 -14.544 7.429 1.00 0.00 C ATOM 869 CD GLU A 589 36.029 -15.700 8.374 1.00 0.00 C ATOM 870 OE1 GLU A 589 36.943 -16.321 8.968 1.00 0.00 O ATOM 871 OE2 GLU A 589 34.828 -16.041 8.494 1.00 0.00 O ATOM 0 H GLU A 589 33.731 -12.212 5.320 1.00 0.00 H new ATOM 0 HA GLU A 589 36.548 -12.097 6.258 1.00 0.00 H new ATOM 0 HB2 GLU A 589 34.805 -13.168 7.767 1.00 0.00 H new ATOM 0 HB3 GLU A 589 34.497 -14.337 6.499 1.00 0.00 H new ATOM 0 HG2 GLU A 589 36.962 -14.962 6.569 1.00 0.00 H new ATOM 0 HG3 GLU A 589 37.145 -13.898 7.950 1.00 0.00 H new ATOM 878 N VAL A 590 37.479 -13.442 4.362 1.00 0.00 N ATOM 879 CA VAL A 590 38.092 -14.205 3.254 1.00 0.00 C ATOM 880 C VAL A 590 39.445 -14.788 3.674 1.00 0.00 C ATOM 881 O VAL A 590 40.240 -14.113 4.329 1.00 0.00 O ATOM 882 CB VAL A 590 38.192 -13.355 1.963 1.00 0.00 C ATOM 883 CG1 VAL A 590 39.085 -12.118 2.104 1.00 0.00 C ATOM 884 CG2 VAL A 590 38.690 -14.177 0.768 1.00 0.00 C ATOM 0 H VAL A 590 38.167 -12.997 4.970 1.00 0.00 H new ATOM 0 HA VAL A 590 37.438 -15.045 3.021 1.00 0.00 H new ATOM 0 HB VAL A 590 37.170 -13.019 1.786 1.00 0.00 H new ATOM 0 HG11 VAL A 590 39.105 -11.574 1.160 1.00 0.00 H new ATOM 0 HG12 VAL A 590 38.689 -11.471 2.887 1.00 0.00 H new ATOM 0 HG13 VAL A 590 40.097 -12.428 2.366 1.00 0.00 H new ATOM 0 HG21 VAL A 590 38.744 -13.540 -0.115 1.00 0.00 H new ATOM 0 HG22 VAL A 590 39.680 -14.577 0.988 1.00 0.00 H new ATOM 0 HG23 VAL A 590 38.000 -15.000 0.580 1.00 0.00 H new ATOM 894 N ASN A 591 39.696 -16.058 3.324 1.00 0.00 N ATOM 895 CA ASN A 591 40.953 -16.777 3.594 1.00 0.00 C ATOM 896 C ASN A 591 41.403 -16.702 5.075 1.00 0.00 C ATOM 897 O ASN A 591 42.589 -16.566 5.379 1.00 0.00 O ATOM 898 CB ASN A 591 42.002 -16.331 2.555 1.00 0.00 C ATOM 899 CG ASN A 591 43.229 -17.226 2.505 1.00 0.00 C ATOM 900 OD1 ASN A 591 43.185 -18.423 2.752 1.00 0.00 O ATOM 901 ND2 ASN A 591 44.367 -16.673 2.159 1.00 0.00 N ATOM 0 H ASN A 591 39.011 -16.631 2.831 1.00 0.00 H new ATOM 0 HA ASN A 591 40.801 -17.849 3.466 1.00 0.00 H new ATOM 0 HB2 ASN A 591 41.538 -16.310 1.569 1.00 0.00 H new ATOM 0 HB3 ASN A 591 42.315 -15.312 2.782 1.00 0.00 H new ATOM 0 HD21 ASN A 591 45.212 -17.241 2.097 1.00 0.00 H new ATOM 0 HD22 ASN A 591 44.407 -15.675 1.952 1.00 0.00 H new ATOM 908 N GLY A 592 40.436 -16.747 6.004 1.00 0.00 N ATOM 909 CA GLY A 592 40.662 -16.674 7.458 1.00 0.00 C ATOM 910 C GLY A 592 40.935 -15.274 8.030 1.00 0.00 C ATOM 911 O GLY A 592 41.297 -15.166 9.206 1.00 0.00 O ATOM 0 H GLY A 592 39.450 -16.837 5.760 1.00 0.00 H new ATOM 0 HA2 GLY A 592 39.788 -17.086 7.962 1.00 0.00 H new ATOM 0 HA3 GLY A 592 41.506 -17.317 7.707 1.00 0.00 H new ATOM 915 N LYS A 593 40.786 -14.208 7.229 1.00 0.00 N ATOM 916 CA LYS A 593 41.042 -12.803 7.601 1.00 0.00 C ATOM 917 C LYS A 593 39.807 -11.924 7.393 1.00 0.00 C ATOM 918 O LYS A 593 38.998 -12.175 6.500 1.00 0.00 O ATOM 919 CB LYS A 593 42.230 -12.255 6.791 1.00 0.00 C ATOM 920 CG LYS A 593 43.552 -12.975 7.101 1.00 0.00 C ATOM 921 CD LYS A 593 44.697 -12.367 6.283 1.00 0.00 C ATOM 922 CE LYS A 593 45.998 -13.106 6.606 1.00 0.00 C ATOM 923 NZ LYS A 593 47.131 -12.572 5.809 1.00 0.00 N ATOM 0 H LYS A 593 40.471 -14.302 6.264 1.00 0.00 H new ATOM 0 HA LYS A 593 41.284 -12.778 8.663 1.00 0.00 H new ATOM 0 HB2 LYS A 593 42.012 -12.350 5.727 1.00 0.00 H new ATOM 0 HB3 LYS A 593 42.345 -11.191 6.999 1.00 0.00 H new ATOM 0 HG2 LYS A 593 43.775 -12.896 8.165 1.00 0.00 H new ATOM 0 HG3 LYS A 593 43.457 -14.037 6.873 1.00 0.00 H new ATOM 0 HD2 LYS A 593 44.478 -12.442 5.218 1.00 0.00 H new ATOM 0 HD3 LYS A 593 44.801 -11.307 6.514 1.00 0.00 H new ATOM 0 HE2 LYS A 593 46.220 -13.009 7.669 1.00 0.00 H new ATOM 0 HE3 LYS A 593 45.876 -14.170 6.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 593 47.999 -13.092 6.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 593 46.927 -12.687 4.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 593 47.261 -11.563 6.024 1.00 0.00 H new ATOM 937 N TYR A 594 39.681 -10.884 8.215 1.00 0.00 N ATOM 938 CA TYR A 594 38.566 -9.925 8.185 1.00 0.00 C ATOM 939 C TYR A 594 38.903 -8.634 7.440 1.00 0.00 C ATOM 940 O TYR A 594 40.028 -8.143 7.489 1.00 0.00 O ATOM 941 CB TYR A 594 38.089 -9.613 9.603 1.00 0.00 C ATOM 942 CG TYR A 594 37.387 -10.786 10.243 1.00 0.00 C ATOM 943 CD1 TYR A 594 36.082 -11.110 9.824 1.00 0.00 C ATOM 944 CD2 TYR A 594 38.040 -11.580 11.208 1.00 0.00 C ATOM 945 CE1 TYR A 594 35.422 -12.220 10.381 1.00 0.00 C ATOM 946 CE2 TYR A 594 37.385 -12.700 11.754 1.00 0.00 C ATOM 947 CZ TYR A 594 36.067 -13.018 11.352 1.00 0.00 C ATOM 948 OH TYR A 594 35.414 -14.089 11.885 1.00 0.00 O ATOM 0 H TYR A 594 40.366 -10.675 8.941 1.00 0.00 H new ATOM 0 HA TYR A 594 37.761 -10.405 7.628 1.00 0.00 H new ATOM 0 HB2 TYR A 594 38.943 -9.325 10.216 1.00 0.00 H new ATOM 0 HB3 TYR A 594 37.413 -8.758 9.577 1.00 0.00 H new ATOM 0 HD1 TYR A 594 35.589 -10.507 9.076 1.00 0.00 H new ATOM 0 HD2 TYR A 594 39.041 -11.329 11.528 1.00 0.00 H new ATOM 0 HE1 TYR A 594 34.418 -12.463 10.065 1.00 0.00 H new ATOM 0 HE2 TYR A 594 37.890 -13.318 12.482 1.00 0.00 H new ATOM 0 HH TYR A 594 35.994 -14.535 12.537 1.00 0.00 H new ATOM 958 N PHE A 595 37.886 -8.065 6.792 1.00 0.00 N ATOM 959 CA PHE A 595 37.933 -6.825 6.009 1.00 0.00 C ATOM 960 C PHE A 595 36.565 -6.115 6.030 1.00 0.00 C ATOM 961 O PHE A 595 35.556 -6.696 6.436 1.00 0.00 O ATOM 962 CB PHE A 595 38.328 -7.175 4.559 1.00 0.00 C ATOM 963 CG PHE A 595 39.714 -7.766 4.370 1.00 0.00 C ATOM 964 CD1 PHE A 595 39.889 -9.162 4.312 1.00 0.00 C ATOM 965 CD2 PHE A 595 40.832 -6.925 4.237 1.00 0.00 C ATOM 966 CE1 PHE A 595 41.170 -9.712 4.112 1.00 0.00 C ATOM 967 CE2 PHE A 595 42.115 -7.472 4.041 1.00 0.00 C ATOM 968 CZ PHE A 595 42.286 -8.868 3.977 1.00 0.00 C ATOM 0 H PHE A 595 36.954 -8.479 6.798 1.00 0.00 H new ATOM 0 HA PHE A 595 38.668 -6.148 6.444 1.00 0.00 H new ATOM 0 HB2 PHE A 595 37.597 -7.881 4.165 1.00 0.00 H new ATOM 0 HB3 PHE A 595 38.255 -6.270 3.955 1.00 0.00 H new ATOM 0 HD1 PHE A 595 39.036 -9.815 4.422 1.00 0.00 H new ATOM 0 HD2 PHE A 595 40.707 -5.853 4.285 1.00 0.00 H new ATOM 0 HE1 PHE A 595 41.295 -10.784 4.062 1.00 0.00 H new ATOM 0 HE2 PHE A 595 42.969 -6.819 3.940 1.00 0.00 H new ATOM 0 HZ PHE A 595 43.269 -9.288 3.825 1.00 0.00 H new ATOM 978 N HIS A 596 36.504 -4.867 5.557 1.00 0.00 N ATOM 979 CA HIS A 596 35.233 -4.178 5.285 1.00 0.00 C ATOM 980 C HIS A 596 34.743 -4.517 3.877 1.00 0.00 C ATOM 981 O HIS A 596 35.554 -4.613 2.954 1.00 0.00 O ATOM 982 CB HIS A 596 35.392 -2.661 5.359 1.00 0.00 C ATOM 983 CG HIS A 596 35.486 -2.023 6.710 1.00 0.00 C ATOM 984 ND1 HIS A 596 36.551 -1.200 7.037 1.00 0.00 N ATOM 985 CD2 HIS A 596 34.571 -2.023 7.720 1.00 0.00 C ATOM 986 CE1 HIS A 596 36.267 -0.703 8.251 1.00 0.00 C ATOM 987 NE2 HIS A 596 35.083 -1.182 8.686 1.00 0.00 N ATOM 0 H HIS A 596 37.330 -4.305 5.351 1.00 0.00 H new ATOM 0 HA HIS A 596 34.521 -4.511 6.040 1.00 0.00 H new ATOM 0 HB2 HIS A 596 36.289 -2.393 4.801 1.00 0.00 H new ATOM 0 HB3 HIS A 596 34.547 -2.212 4.837 1.00 0.00 H new ATOM 0 HD2 HIS A 596 33.639 -2.568 7.756 1.00 0.00 H new ATOM 0 HE1 HIS A 596 36.896 -0.018 8.801 1.00 0.00 H new ATOM 0 HE2 HIS A 596 34.641 -0.960 9.578 1.00 0.00 H new ATOM 995 N SER A 597 33.429 -4.642 3.689 1.00 0.00 N ATOM 996 CA SER A 597 32.825 -4.962 2.390 1.00 0.00 C ATOM 997 C SER A 597 33.047 -3.847 1.365 1.00 0.00 C ATOM 998 O SER A 597 33.449 -4.138 0.238 1.00 0.00 O ATOM 999 CB SER A 597 31.329 -5.263 2.544 1.00 0.00 C ATOM 1000 OG SER A 597 31.122 -6.238 3.550 1.00 0.00 O ATOM 0 H SER A 597 32.747 -4.524 4.438 1.00 0.00 H new ATOM 0 HA SER A 597 33.324 -5.855 2.014 1.00 0.00 H new ATOM 0 HB2 SER A 597 30.792 -4.349 2.799 1.00 0.00 H new ATOM 0 HB3 SER A 597 30.924 -5.617 1.596 1.00 0.00 H new ATOM 0 HG SER A 597 30.540 -6.947 3.204 1.00 0.00 H new ATOM 1006 N THR A 598 32.879 -2.578 1.748 1.00 0.00 N ATOM 1007 CA THR A 598 33.179 -1.408 0.892 1.00 0.00 C ATOM 1008 C THR A 598 34.669 -1.283 0.550 1.00 0.00 C ATOM 1009 O THR A 598 35.001 -0.949 -0.593 1.00 0.00 O ATOM 1010 CB THR A 598 32.719 -0.092 1.548 1.00 0.00 C ATOM 1011 OG1 THR A 598 33.167 -0.002 2.886 1.00 0.00 O ATOM 1012 CG2 THR A 598 31.200 0.063 1.558 1.00 0.00 C ATOM 0 H THR A 598 32.527 -2.323 2.671 1.00 0.00 H new ATOM 0 HA THR A 598 32.624 -1.580 -0.030 1.00 0.00 H new ATOM 0 HB THR A 598 33.156 0.701 0.941 1.00 0.00 H new ATOM 0 HG1 THR A 598 33.003 0.902 3.226 1.00 0.00 H new ATOM 0 HG21 THR A 598 30.934 1.008 2.032 1.00 0.00 H new ATOM 0 HG22 THR A 598 30.826 0.053 0.534 1.00 0.00 H new ATOM 0 HG23 THR A 598 30.754 -0.761 2.115 1.00 0.00 H new ATOM 1020 N CYS A 599 35.571 -1.595 1.493 1.00 0.00 N ATOM 1021 CA CYS A 599 37.014 -1.597 1.277 1.00 0.00 C ATOM 1022 C CYS A 599 37.421 -2.697 0.270 1.00 0.00 C ATOM 1023 O CYS A 599 37.970 -2.404 -0.793 1.00 0.00 O ATOM 1024 CB CYS A 599 37.717 -1.731 2.642 1.00 0.00 C ATOM 1025 SG CYS A 599 37.489 -0.240 3.673 1.00 0.00 S ATOM 0 H CYS A 599 35.306 -1.857 2.443 1.00 0.00 H new ATOM 0 HA CYS A 599 37.332 -0.657 0.826 1.00 0.00 H new ATOM 0 HB2 CYS A 599 37.324 -2.601 3.169 1.00 0.00 H new ATOM 0 HB3 CYS A 599 38.782 -1.906 2.487 1.00 0.00 H new ATOM 0 HG CYS A 599 37.254 -0.594 4.902 1.00 0.00 H new ATOM 1030 N TYR A 600 37.121 -3.961 0.595 1.00 0.00 N ATOM 1031 CA TYR A 600 37.521 -5.131 -0.193 1.00 0.00 C ATOM 1032 C TYR A 600 36.991 -5.107 -1.641 1.00 0.00 C ATOM 1033 O TYR A 600 37.725 -5.454 -2.569 1.00 0.00 O ATOM 1034 CB TYR A 600 37.079 -6.398 0.554 1.00 0.00 C ATOM 1035 CG TYR A 600 37.549 -7.681 -0.105 1.00 0.00 C ATOM 1036 CD1 TYR A 600 38.878 -8.112 0.078 1.00 0.00 C ATOM 1037 CD2 TYR A 600 36.674 -8.427 -0.921 1.00 0.00 C ATOM 1038 CE1 TYR A 600 39.344 -9.275 -0.566 1.00 0.00 C ATOM 1039 CE2 TYR A 600 37.132 -9.598 -1.551 1.00 0.00 C ATOM 1040 CZ TYR A 600 38.470 -10.023 -1.386 1.00 0.00 C ATOM 1041 OH TYR A 600 38.907 -11.148 -2.017 1.00 0.00 O ATOM 0 H TYR A 600 36.584 -4.202 1.428 1.00 0.00 H new ATOM 0 HA TYR A 600 38.606 -5.117 -0.295 1.00 0.00 H new ATOM 0 HB2 TYR A 600 37.461 -6.361 1.574 1.00 0.00 H new ATOM 0 HB3 TYR A 600 35.991 -6.410 0.621 1.00 0.00 H new ATOM 0 HD1 TYR A 600 39.543 -7.548 0.715 1.00 0.00 H new ATOM 0 HD2 TYR A 600 35.654 -8.100 -1.062 1.00 0.00 H new ATOM 0 HE1 TYR A 600 40.367 -9.594 -0.433 1.00 0.00 H new ATOM 0 HE2 TYR A 600 36.457 -10.176 -2.165 1.00 0.00 H new ATOM 0 HH TYR A 600 38.174 -11.537 -2.538 1.00 0.00 H new ATOM 1051 N HIS A 601 35.751 -4.635 -1.841 1.00 0.00 N ATOM 1052 CA HIS A 601 35.032 -4.669 -3.126 1.00 0.00 C ATOM 1053 C HIS A 601 35.762 -3.982 -4.288 1.00 0.00 C ATOM 1054 O HIS A 601 36.043 -4.619 -5.304 1.00 0.00 O ATOM 1055 CB HIS A 601 33.623 -4.078 -2.927 1.00 0.00 C ATOM 1056 CG HIS A 601 32.818 -3.909 -4.193 1.00 0.00 C ATOM 1057 ND1 HIS A 601 32.345 -4.945 -5.003 1.00 0.00 N ATOM 1058 CD2 HIS A 601 32.400 -2.719 -4.715 1.00 0.00 C ATOM 1059 CE1 HIS A 601 31.650 -4.356 -5.991 1.00 0.00 C ATOM 1060 NE2 HIS A 601 31.666 -3.021 -5.842 1.00 0.00 N ATOM 0 H HIS A 601 35.205 -4.207 -1.093 1.00 0.00 H new ATOM 0 HA HIS A 601 34.971 -5.715 -3.425 1.00 0.00 H new ATOM 0 HB2 HIS A 601 33.068 -4.722 -2.245 1.00 0.00 H new ATOM 0 HB3 HIS A 601 33.718 -3.106 -2.442 1.00 0.00 H new ATOM 0 HD2 HIS A 601 32.604 -1.734 -4.322 1.00 0.00 H new ATOM 0 HE1 HIS A 601 31.150 -4.881 -6.791 1.00 0.00 H new ATOM 0 HE2 HIS A 601 31.212 -2.346 -6.458 1.00 0.00 H new ATOM 1068 N GLU A 602 36.077 -2.692 -4.152 1.00 0.00 N ATOM 1069 CA GLU A 602 36.668 -1.897 -5.242 1.00 0.00 C ATOM 1070 C GLU A 602 38.204 -1.761 -5.147 1.00 0.00 C ATOM 1071 O GLU A 602 38.852 -1.327 -6.104 1.00 0.00 O ATOM 1072 CB GLU A 602 35.940 -0.542 -5.312 1.00 0.00 C ATOM 1073 CG GLU A 602 36.232 0.245 -6.601 1.00 0.00 C ATOM 1074 CD GLU A 602 35.115 1.254 -6.949 1.00 0.00 C ATOM 1075 OE1 GLU A 602 34.708 2.062 -6.076 1.00 0.00 O ATOM 1076 OE2 GLU A 602 34.651 1.262 -8.118 1.00 0.00 O ATOM 0 H GLU A 602 35.932 -2.167 -3.290 1.00 0.00 H new ATOM 0 HA GLU A 602 36.519 -2.429 -6.181 1.00 0.00 H new ATOM 0 HB2 GLU A 602 34.866 -0.711 -5.234 1.00 0.00 H new ATOM 0 HB3 GLU A 602 36.231 0.063 -4.453 1.00 0.00 H new ATOM 0 HG2 GLU A 602 37.176 0.778 -6.490 1.00 0.00 H new ATOM 0 HG3 GLU A 602 36.356 -0.454 -7.428 1.00 0.00 H new ATOM 1083 N THR A 603 38.813 -2.158 -4.019 1.00 0.00 N ATOM 1084 CA THR A 603 40.284 -2.080 -3.835 1.00 0.00 C ATOM 1085 C THR A 603 41.015 -3.253 -4.499 1.00 0.00 C ATOM 1086 O THR A 603 42.116 -3.076 -5.028 1.00 0.00 O ATOM 1087 CB THR A 603 40.671 -1.968 -2.347 1.00 0.00 C ATOM 1088 OG1 THR A 603 40.116 -0.792 -1.802 1.00 0.00 O ATOM 1089 CG2 THR A 603 42.179 -1.886 -2.093 1.00 0.00 C ATOM 0 H THR A 603 38.314 -2.538 -3.214 1.00 0.00 H new ATOM 0 HA THR A 603 40.607 -1.167 -4.335 1.00 0.00 H new ATOM 0 HB THR A 603 40.291 -2.879 -1.885 1.00 0.00 H new ATOM 0 HG1 THR A 603 39.281 -1.009 -1.338 1.00 0.00 H new ATOM 0 HG21 THR A 603 42.364 -1.809 -1.022 1.00 0.00 H new ATOM 0 HG22 THR A 603 42.663 -2.782 -2.482 1.00 0.00 H new ATOM 0 HG23 THR A 603 42.585 -1.008 -2.595 1.00 0.00 H new