USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 441 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 564 CYS SG : rot 158:sc= 0.548 USER MOD Set 1.2: A 567 CYS SG : rot -64:sc= -0.697 USER MOD Set 1.3: A 596 HIS : no HD1:sc= 0.499 K(o=0.19,f=-2.3) USER MOD Set 1.4: A 599 CYS SG : rot 137:sc= -0.16 USER MOD Set 2.1: A 586 ASN : amide:sc= 1.25 K(o=3.8,f=2.3) USER MOD Set 2.2: A 597 SER OG : rot 132:sc= 1.96 USER MOD Set 2.3: A 598 THR OG1 : rot 180:sc= 0.608 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 -78:sc= 0.968 USER MOD Single : A 558 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 560 MET CE :methyl 149:sc= -0.0211 (180deg=-1.75) USER MOD Single : A 563 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 587 THR OG1 : rot 65:sc= 0.6 USER MOD Single : A 591 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 593 LYS NZ :NH3+ -171:sc= 0.981 (180deg=0.906) USER MOD Single : A 594 TYR OH : rot 180: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=-0.021) USER MOD Single : A 603 THR OG1 : rot 86:sc= 0.515 USER MOD ----------------------------------------------------------------- ATOM 184 N ILE A 546 26.523 -2.740 0.132 1.00 0.00 N ATOM 185 CA ILE A 546 27.853 -3.157 0.597 1.00 0.00 C ATOM 186 C ILE A 546 27.949 -2.940 2.118 1.00 0.00 C ATOM 187 O ILE A 546 28.438 -3.803 2.843 1.00 0.00 O ATOM 188 CB ILE A 546 28.975 -2.387 -0.138 1.00 0.00 C ATOM 189 CG1 ILE A 546 28.857 -2.378 -1.679 1.00 0.00 C ATOM 190 CG2 ILE A 546 30.342 -2.944 0.282 1.00 0.00 C ATOM 191 CD1 ILE A 546 29.127 -3.722 -2.364 1.00 0.00 C ATOM 0 HA ILE A 546 27.988 -4.215 0.372 1.00 0.00 H new ATOM 0 HB ILE A 546 28.867 -1.345 0.164 1.00 0.00 H new ATOM 0 HG12 ILE A 546 27.854 -2.047 -1.948 1.00 0.00 H new ATOM 0 HG13 ILE A 546 29.554 -1.640 -2.076 1.00 0.00 H new ATOM 0 HG21 ILE A 546 31.131 -2.400 -0.237 1.00 0.00 H new ATOM 0 HG22 ILE A 546 30.468 -2.827 1.358 1.00 0.00 H new ATOM 0 HG23 ILE A 546 30.399 -4.001 0.023 1.00 0.00 H new ATOM 0 HD11 ILE A 546 29.019 -3.609 -3.443 1.00 0.00 H new ATOM 0 HD12 ILE A 546 30.140 -4.051 -2.133 1.00 0.00 H new ATOM 0 HD13 ILE A 546 28.414 -4.464 -2.004 1.00 0.00 H new ATOM 203 N ARG A 547 27.431 -1.810 2.625 1.00 0.00 N ATOM 204 CA ARG A 547 27.427 -1.473 4.063 1.00 0.00 C ATOM 205 C ARG A 547 26.534 -2.429 4.858 1.00 0.00 C ATOM 206 O ARG A 547 26.886 -2.827 5.968 1.00 0.00 O ATOM 207 CB ARG A 547 27.025 0.010 4.226 1.00 0.00 C ATOM 208 CG ARG A 547 27.348 0.609 5.609 1.00 0.00 C ATOM 209 CD ARG A 547 26.282 0.383 6.694 1.00 0.00 C ATOM 210 NE ARG A 547 25.048 1.155 6.435 1.00 0.00 N ATOM 211 CZ ARG A 547 24.774 2.374 6.867 1.00 0.00 C ATOM 212 NH1 ARG A 547 25.615 3.070 7.583 1.00 0.00 N ATOM 213 NH2 ARG A 547 23.627 2.923 6.580 1.00 0.00 N ATOM 0 H ARG A 547 26.997 -1.094 2.043 1.00 0.00 H new ATOM 0 HA ARG A 547 28.427 -1.600 4.478 1.00 0.00 H new ATOM 0 HB2 ARG A 547 27.533 0.598 3.461 1.00 0.00 H new ATOM 0 HB3 ARG A 547 25.955 0.106 4.043 1.00 0.00 H new ATOM 0 HG2 ARG A 547 28.291 0.187 5.957 1.00 0.00 H new ATOM 0 HG3 ARG A 547 27.502 1.682 5.494 1.00 0.00 H new ATOM 0 HD2 ARG A 547 26.040 -0.678 6.747 1.00 0.00 H new ATOM 0 HD3 ARG A 547 26.689 0.666 7.665 1.00 0.00 H new ATOM 0 HE ARG A 547 24.335 0.700 5.865 1.00 0.00 H new ATOM 0 HH11 ARG A 547 26.523 2.676 7.829 1.00 0.00 H new ATOM 0 HH12 ARG A 547 25.364 4.008 7.896 1.00 0.00 H new ATOM 0 HH21 ARG A 547 22.942 2.412 6.023 1.00 0.00 H new ATOM 0 HH22 ARG A 547 23.414 3.863 6.913 1.00 0.00 H new ATOM 227 N GLY A 548 25.416 -2.846 4.263 1.00 0.00 N ATOM 228 CA GLY A 548 24.471 -3.824 4.808 1.00 0.00 C ATOM 229 C GLY A 548 24.977 -5.267 4.941 1.00 0.00 C ATOM 230 O GLY A 548 24.268 -6.094 5.522 1.00 0.00 O ATOM 0 H GLY A 548 25.131 -2.497 3.348 1.00 0.00 H new ATOM 0 HA2 GLY A 548 24.156 -3.481 5.794 1.00 0.00 H new ATOM 0 HA3 GLY A 548 23.584 -3.831 4.174 1.00 0.00 H new ATOM 234 N LYS A 549 26.183 -5.600 4.446 1.00 0.00 N ATOM 235 CA LYS A 549 26.820 -6.908 4.689 1.00 0.00 C ATOM 236 C LYS A 549 27.282 -7.032 6.147 1.00 0.00 C ATOM 237 O LYS A 549 27.897 -6.106 6.683 1.00 0.00 O ATOM 238 CB LYS A 549 28.003 -7.134 3.726 1.00 0.00 C ATOM 239 CG LYS A 549 27.658 -7.036 2.226 1.00 0.00 C ATOM 240 CD LYS A 549 26.536 -7.989 1.780 1.00 0.00 C ATOM 241 CE LYS A 549 26.293 -7.853 0.271 1.00 0.00 C ATOM 242 NZ LYS A 549 25.185 -8.727 -0.189 1.00 0.00 N ATOM 0 H LYS A 549 26.742 -4.972 3.868 1.00 0.00 H new ATOM 0 HA LYS A 549 26.074 -7.680 4.500 1.00 0.00 H new ATOM 0 HB2 LYS A 549 28.779 -6.403 3.952 1.00 0.00 H new ATOM 0 HB3 LYS A 549 28.426 -8.119 3.921 1.00 0.00 H new ATOM 0 HG2 LYS A 549 27.363 -6.012 1.997 1.00 0.00 H new ATOM 0 HG3 LYS A 549 28.554 -7.248 1.643 1.00 0.00 H new ATOM 0 HD2 LYS A 549 26.805 -9.017 2.021 1.00 0.00 H new ATOM 0 HD3 LYS A 549 25.619 -7.763 2.325 1.00 0.00 H new ATOM 0 HE2 LYS A 549 26.061 -6.815 0.032 1.00 0.00 H new ATOM 0 HE3 LYS A 549 27.205 -8.108 -0.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 549 25.051 -8.607 -1.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 549 25.418 -9.720 0.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 549 24.309 -8.467 0.307 1.00 0.00 H new ATOM 256 N TYR A 550 27.010 -8.165 6.801 1.00 0.00 N ATOM 257 CA TYR A 550 27.411 -8.392 8.195 1.00 0.00 C ATOM 258 C TYR A 550 27.720 -9.854 8.536 1.00 0.00 C ATOM 259 O TYR A 550 27.366 -10.784 7.807 1.00 0.00 O ATOM 260 CB TYR A 550 26.349 -7.848 9.168 1.00 0.00 C ATOM 261 CG TYR A 550 25.020 -8.585 9.161 1.00 0.00 C ATOM 262 CD1 TYR A 550 23.955 -8.119 8.367 1.00 0.00 C ATOM 263 CD2 TYR A 550 24.842 -9.744 9.943 1.00 0.00 C ATOM 264 CE1 TYR A 550 22.730 -8.819 8.333 1.00 0.00 C ATOM 265 CE2 TYR A 550 23.622 -10.446 9.912 1.00 0.00 C ATOM 266 CZ TYR A 550 22.559 -9.996 9.100 1.00 0.00 C ATOM 267 OH TYR A 550 21.381 -10.682 9.075 1.00 0.00 O ATOM 0 H TYR A 550 26.508 -8.948 6.383 1.00 0.00 H new ATOM 0 HA TYR A 550 28.346 -7.844 8.312 1.00 0.00 H new ATOM 0 HB2 TYR A 550 26.757 -7.879 10.178 1.00 0.00 H new ATOM 0 HB3 TYR A 550 26.165 -6.800 8.930 1.00 0.00 H new ATOM 0 HD1 TYR A 550 24.076 -7.220 7.780 1.00 0.00 H new ATOM 0 HD2 TYR A 550 25.647 -10.096 10.571 1.00 0.00 H new ATOM 0 HE1 TYR A 550 21.920 -8.455 7.719 1.00 0.00 H new ATOM 0 HE2 TYR A 550 23.499 -11.335 10.513 1.00 0.00 H new ATOM 0 HH TYR A 550 21.446 -11.464 9.662 1.00 0.00 H new ATOM 277 N VAL A 551 28.344 -10.031 9.701 1.00 0.00 N ATOM 278 CA VAL A 551 28.652 -11.317 10.350 1.00 0.00 C ATOM 279 C VAL A 551 28.339 -11.214 11.855 1.00 0.00 C ATOM 280 O VAL A 551 28.569 -10.166 12.460 1.00 0.00 O ATOM 281 CB VAL A 551 30.114 -11.745 10.091 1.00 0.00 C ATOM 282 CG1 VAL A 551 30.229 -12.450 8.736 1.00 0.00 C ATOM 283 CG2 VAL A 551 31.149 -10.614 10.118 1.00 0.00 C ATOM 0 H VAL A 551 28.669 -9.238 10.253 1.00 0.00 H new ATOM 0 HA VAL A 551 28.025 -12.096 9.917 1.00 0.00 H new ATOM 0 HB VAL A 551 30.348 -12.406 10.925 1.00 0.00 H new ATOM 0 HG11 VAL A 551 31.264 -12.746 8.567 1.00 0.00 H new ATOM 0 HG12 VAL A 551 29.593 -13.335 8.731 1.00 0.00 H new ATOM 0 HG13 VAL A 551 29.912 -11.771 7.945 1.00 0.00 H new ATOM 0 HG21 VAL A 551 32.141 -11.023 9.925 1.00 0.00 H new ATOM 0 HG22 VAL A 551 30.904 -9.879 9.351 1.00 0.00 H new ATOM 0 HG23 VAL A 551 31.139 -10.135 11.097 1.00 0.00 H new ATOM 293 N VAL A 552 27.748 -12.247 12.465 1.00 0.00 N ATOM 294 CA VAL A 552 27.304 -12.204 13.875 1.00 0.00 C ATOM 295 C VAL A 552 28.512 -12.196 14.832 1.00 0.00 C ATOM 296 O VAL A 552 29.436 -13.003 14.694 1.00 0.00 O ATOM 297 CB VAL A 552 26.312 -13.347 14.203 1.00 0.00 C ATOM 298 CG1 VAL A 552 25.914 -13.428 15.684 1.00 0.00 C ATOM 299 CG2 VAL A 552 25.015 -13.212 13.388 1.00 0.00 C ATOM 0 H VAL A 552 27.561 -13.137 12.003 1.00 0.00 H new ATOM 0 HA VAL A 552 26.761 -11.271 14.023 1.00 0.00 H new ATOM 0 HB VAL A 552 26.855 -14.255 13.941 1.00 0.00 H new ATOM 0 HG11 VAL A 552 25.218 -14.254 15.829 1.00 0.00 H new ATOM 0 HG12 VAL A 552 26.804 -13.593 16.291 1.00 0.00 H new ATOM 0 HG13 VAL A 552 25.437 -12.495 15.984 1.00 0.00 H new ATOM 0 HG21 VAL A 552 24.340 -14.029 13.641 1.00 0.00 H new ATOM 0 HG22 VAL A 552 24.537 -12.261 13.620 1.00 0.00 H new ATOM 0 HG23 VAL A 552 25.248 -13.250 12.324 1.00 0.00 H new ATOM 309 N VAL A 553 28.500 -11.281 15.811 1.00 0.00 N ATOM 310 CA VAL A 553 29.501 -11.169 16.883 1.00 0.00 C ATOM 311 C VAL A 553 29.338 -12.334 17.879 1.00 0.00 C ATOM 312 O VAL A 553 28.238 -12.507 18.420 1.00 0.00 O ATOM 313 CB VAL A 553 29.349 -9.822 17.628 1.00 0.00 C ATOM 314 CG1 VAL A 553 30.299 -9.728 18.827 1.00 0.00 C ATOM 315 CG2 VAL A 553 29.638 -8.599 16.756 1.00 0.00 C ATOM 0 H VAL A 553 27.768 -10.574 15.882 1.00 0.00 H new ATOM 0 HA VAL A 553 30.494 -11.213 16.435 1.00 0.00 H new ATOM 0 HB VAL A 553 28.304 -9.811 17.938 1.00 0.00 H new ATOM 0 HG11 VAL A 553 30.163 -8.768 19.325 1.00 0.00 H new ATOM 0 HG12 VAL A 553 30.081 -10.534 19.528 1.00 0.00 H new ATOM 0 HG13 VAL A 553 31.329 -9.815 18.482 1.00 0.00 H new ATOM 0 HG21 VAL A 553 29.511 -7.692 17.347 1.00 0.00 H new ATOM 0 HG22 VAL A 553 30.662 -8.650 16.386 1.00 0.00 H new ATOM 0 HG23 VAL A 553 28.947 -8.582 15.913 1.00 0.00 H new ATOM 325 N PRO A 554 30.390 -13.131 18.157 1.00 0.00 N ATOM 326 CA PRO A 554 30.330 -14.221 19.134 1.00 0.00 C ATOM 327 C PRO A 554 30.444 -13.713 20.576 1.00 0.00 C ATOM 328 O PRO A 554 31.139 -12.732 20.854 1.00 0.00 O ATOM 329 CB PRO A 554 31.511 -15.130 18.777 1.00 0.00 C ATOM 330 CG PRO A 554 32.559 -14.155 18.242 1.00 0.00 C ATOM 331 CD PRO A 554 31.717 -13.074 17.558 1.00 0.00 C ATOM 0 HA PRO A 554 29.373 -14.742 19.090 1.00 0.00 H new ATOM 0 HB2 PRO A 554 31.876 -15.675 19.648 1.00 0.00 H new ATOM 0 HB3 PRO A 554 31.234 -15.873 18.029 1.00 0.00 H new ATOM 0 HG2 PRO A 554 33.170 -13.741 19.044 1.00 0.00 H new ATOM 0 HG3 PRO A 554 33.238 -14.639 17.541 1.00 0.00 H new ATOM 0 HD2 PRO A 554 32.163 -12.090 17.700 1.00 0.00 H new ATOM 0 HD3 PRO A 554 31.664 -13.248 16.483 1.00 0.00 H new ATOM 339 N GLU A 555 29.860 -14.446 21.525 1.00 0.00 N ATOM 340 CA GLU A 555 29.990 -14.159 22.968 1.00 0.00 C ATOM 341 C GLU A 555 31.444 -14.266 23.482 1.00 0.00 C ATOM 342 O GLU A 555 31.779 -13.671 24.506 1.00 0.00 O ATOM 343 CB GLU A 555 29.088 -15.099 23.783 1.00 0.00 C ATOM 344 CG GLU A 555 27.591 -14.915 23.473 1.00 0.00 C ATOM 345 CD GLU A 555 26.692 -15.675 24.474 1.00 0.00 C ATOM 346 OE1 GLU A 555 25.731 -15.070 25.015 1.00 0.00 O ATOM 347 OE2 GLU A 555 26.914 -16.886 24.722 1.00 0.00 O ATOM 0 H GLU A 555 29.280 -15.260 21.321 1.00 0.00 H new ATOM 0 HA GLU A 555 29.676 -13.124 23.103 1.00 0.00 H new ATOM 0 HB2 GLU A 555 29.371 -16.132 23.580 1.00 0.00 H new ATOM 0 HB3 GLU A 555 29.257 -14.925 24.846 1.00 0.00 H new ATOM 0 HG2 GLU A 555 27.344 -13.854 23.498 1.00 0.00 H new ATOM 0 HG3 GLU A 555 27.385 -15.267 22.462 1.00 0.00 H new ATOM 354 N THR A 556 32.316 -14.997 22.772 1.00 0.00 N ATOM 355 CA THR A 556 33.754 -15.147 23.060 1.00 0.00 C ATOM 356 C THR A 556 34.606 -13.951 22.611 1.00 0.00 C ATOM 357 O THR A 556 35.774 -13.869 22.999 1.00 0.00 O ATOM 358 CB THR A 556 34.309 -16.434 22.425 1.00 0.00 C ATOM 359 OG1 THR A 556 34.133 -16.426 21.022 1.00 0.00 O ATOM 360 CG2 THR A 556 33.630 -17.694 22.969 1.00 0.00 C ATOM 0 H THR A 556 32.029 -15.523 21.946 1.00 0.00 H new ATOM 0 HA THR A 556 33.826 -15.200 24.146 1.00 0.00 H new ATOM 0 HB THR A 556 35.368 -16.456 22.681 1.00 0.00 H new ATOM 0 HG1 THR A 556 34.495 -17.254 20.642 1.00 0.00 H new ATOM 0 HG21 THR A 556 34.058 -18.574 22.489 1.00 0.00 H new ATOM 0 HG22 THR A 556 33.787 -17.756 24.046 1.00 0.00 H new ATOM 0 HG23 THR A 556 32.561 -17.650 22.760 1.00 0.00 H new ATOM 368 N SER A 557 34.062 -13.023 21.813 1.00 0.00 N ATOM 369 CA SER A 557 34.798 -11.819 21.368 1.00 0.00 C ATOM 370 C SER A 557 35.180 -10.892 22.532 1.00 0.00 C ATOM 371 O SER A 557 34.422 -10.716 23.493 1.00 0.00 O ATOM 372 CB SER A 557 34.021 -11.024 20.306 1.00 0.00 C ATOM 373 OG SER A 557 32.825 -10.470 20.820 1.00 0.00 O ATOM 0 H SER A 557 33.108 -13.079 21.457 1.00 0.00 H new ATOM 0 HA SER A 557 35.718 -12.193 20.919 1.00 0.00 H new ATOM 0 HB2 SER A 557 34.653 -10.224 19.919 1.00 0.00 H new ATOM 0 HB3 SER A 557 33.785 -11.678 19.466 1.00 0.00 H new ATOM 0 HG SER A 557 32.141 -11.169 20.882 1.00 0.00 H new ATOM 379 N GLN A 558 36.353 -10.258 22.444 1.00 0.00 N ATOM 380 CA GLN A 558 36.761 -9.182 23.354 1.00 0.00 C ATOM 381 C GLN A 558 36.161 -7.855 22.871 1.00 0.00 C ATOM 382 O GLN A 558 36.439 -7.402 21.755 1.00 0.00 O ATOM 383 CB GLN A 558 38.289 -9.113 23.475 1.00 0.00 C ATOM 384 CG GLN A 558 38.886 -10.405 24.070 1.00 0.00 C ATOM 385 CD GLN A 558 40.341 -10.258 24.516 1.00 0.00 C ATOM 386 OE1 GLN A 558 40.742 -9.295 25.157 1.00 0.00 O ATOM 387 NE2 GLN A 558 41.194 -11.218 24.224 1.00 0.00 N ATOM 0 H GLN A 558 37.052 -10.478 21.734 1.00 0.00 H new ATOM 0 HA GLN A 558 36.379 -9.388 24.354 1.00 0.00 H new ATOM 0 HB2 GLN A 558 38.722 -8.935 22.491 1.00 0.00 H new ATOM 0 HB3 GLN A 558 38.564 -8.265 24.103 1.00 0.00 H new ATOM 0 HG2 GLN A 558 38.283 -10.715 24.923 1.00 0.00 H new ATOM 0 HG3 GLN A 558 38.821 -11.201 23.328 1.00 0.00 H new ATOM 0 HE21 GLN A 558 40.884 -12.031 23.691 1.00 0.00 H new ATOM 0 HE22 GLN A 558 42.164 -11.149 24.531 1.00 0.00 H new ATOM 396 N ASP A 559 35.320 -7.238 23.710 1.00 0.00 N ATOM 397 CA ASP A 559 34.663 -5.933 23.491 1.00 0.00 C ATOM 398 C ASP A 559 33.903 -5.794 22.147 1.00 0.00 C ATOM 399 O ASP A 559 33.702 -4.682 21.649 1.00 0.00 O ATOM 400 CB ASP A 559 35.647 -4.773 23.742 1.00 0.00 C ATOM 401 CG ASP A 559 36.339 -4.787 25.119 1.00 0.00 C ATOM 402 OD1 ASP A 559 37.432 -4.172 25.240 1.00 0.00 O ATOM 403 OD2 ASP A 559 35.797 -5.357 26.098 1.00 0.00 O ATOM 0 H ASP A 559 35.063 -7.652 24.606 1.00 0.00 H new ATOM 0 HA ASP A 559 33.869 -5.878 24.236 1.00 0.00 H new ATOM 0 HB2 ASP A 559 36.414 -4.794 22.968 1.00 0.00 H new ATOM 0 HB3 ASP A 559 35.109 -3.831 23.633 1.00 0.00 H new ATOM 408 N MET A 560 33.472 -6.917 21.553 1.00 0.00 N ATOM 409 CA MET A 560 32.804 -6.975 20.247 1.00 0.00 C ATOM 410 C MET A 560 33.604 -6.310 19.115 1.00 0.00 C ATOM 411 O MET A 560 33.027 -5.672 18.234 1.00 0.00 O ATOM 412 CB MET A 560 31.356 -6.445 20.350 1.00 0.00 C ATOM 413 CG MET A 560 30.571 -7.163 21.453 1.00 0.00 C ATOM 414 SD MET A 560 28.782 -6.896 21.372 1.00 0.00 S ATOM 415 CE MET A 560 28.218 -8.541 21.874 1.00 0.00 C ATOM 0 H MET A 560 33.583 -7.836 21.982 1.00 0.00 H new ATOM 0 HA MET A 560 32.754 -8.026 19.963 1.00 0.00 H new ATOM 0 HB2 MET A 560 31.373 -5.374 20.553 1.00 0.00 H new ATOM 0 HB3 MET A 560 30.849 -6.580 19.395 1.00 0.00 H new ATOM 0 HG2 MET A 560 30.772 -8.233 21.391 1.00 0.00 H new ATOM 0 HG3 MET A 560 30.935 -6.826 22.423 1.00 0.00 H new ATOM 0 HE1 MET A 560 27.268 -8.455 22.401 1.00 0.00 H new ATOM 0 HE2 MET A 560 28.087 -9.166 20.991 1.00 0.00 H new ATOM 0 HE3 MET A 560 28.959 -8.994 22.533 1.00 0.00 H new ATOM 425 N ALA A 561 34.936 -6.428 19.142 1.00 0.00 N ATOM 426 CA ALA A 561 35.837 -5.706 18.243 1.00 0.00 C ATOM 427 C ALA A 561 36.803 -6.611 17.447 1.00 0.00 C ATOM 428 O ALA A 561 37.282 -7.627 17.955 1.00 0.00 O ATOM 429 CB ALA A 561 36.581 -4.647 19.056 1.00 0.00 C ATOM 0 H ALA A 561 35.423 -7.037 19.799 1.00 0.00 H new ATOM 0 HA ALA A 561 35.230 -5.233 17.471 1.00 0.00 H new ATOM 0 HB1 ALA A 561 37.259 -4.097 18.403 1.00 0.00 H new ATOM 0 HB2 ALA A 561 35.863 -3.957 19.498 1.00 0.00 H new ATOM 0 HB3 ALA A 561 37.153 -5.131 19.847 1.00 0.00 H new ATOM 435 N PHE A 562 37.135 -6.200 16.216 1.00 0.00 N ATOM 436 CA PHE A 562 38.160 -6.818 15.350 1.00 0.00 C ATOM 437 C PHE A 562 38.708 -5.802 14.327 1.00 0.00 C ATOM 438 O PHE A 562 38.125 -4.733 14.159 1.00 0.00 O ATOM 439 CB PHE A 562 37.588 -8.079 14.670 1.00 0.00 C ATOM 440 CG PHE A 562 38.670 -9.089 14.341 1.00 0.00 C ATOM 441 CD1 PHE A 562 39.101 -9.985 15.335 1.00 0.00 C ATOM 442 CD2 PHE A 562 39.267 -9.116 13.069 1.00 0.00 C ATOM 443 CE1 PHE A 562 40.141 -10.893 15.063 1.00 0.00 C ATOM 444 CE2 PHE A 562 40.322 -10.006 12.802 1.00 0.00 C ATOM 445 CZ PHE A 562 40.758 -10.895 13.799 1.00 0.00 C ATOM 0 H PHE A 562 36.683 -5.399 15.775 1.00 0.00 H new ATOM 0 HA PHE A 562 39.004 -7.127 15.966 1.00 0.00 H new ATOM 0 HB2 PHE A 562 36.849 -8.540 15.325 1.00 0.00 H new ATOM 0 HB3 PHE A 562 37.069 -7.793 13.755 1.00 0.00 H new ATOM 0 HD1 PHE A 562 38.633 -9.976 16.308 1.00 0.00 H new ATOM 0 HD2 PHE A 562 38.914 -8.451 12.294 1.00 0.00 H new ATOM 0 HE1 PHE A 562 40.465 -11.588 15.824 1.00 0.00 H new ATOM 0 HE2 PHE A 562 40.797 -10.006 11.832 1.00 0.00 H new ATOM 0 HZ PHE A 562 41.567 -11.580 13.595 1.00 0.00 H new ATOM 455 N LYS A 563 39.825 -6.089 13.645 1.00 0.00 N ATOM 456 CA LYS A 563 40.559 -5.135 12.778 1.00 0.00 C ATOM 457 C LYS A 563 40.420 -5.412 11.268 1.00 0.00 C ATOM 458 O LYS A 563 40.342 -6.569 10.854 1.00 0.00 O ATOM 459 CB LYS A 563 42.031 -5.105 13.235 1.00 0.00 C ATOM 460 CG LYS A 563 42.843 -3.925 12.657 1.00 0.00 C ATOM 461 CD LYS A 563 44.309 -3.934 13.105 1.00 0.00 C ATOM 462 CE LYS A 563 44.455 -3.713 14.619 1.00 0.00 C ATOM 463 NZ LYS A 563 45.881 -3.697 15.044 1.00 0.00 N ATOM 0 H LYS A 563 40.260 -7.011 13.676 1.00 0.00 H new ATOM 0 HA LYS A 563 40.106 -4.151 12.899 1.00 0.00 H new ATOM 0 HB2 LYS A 563 42.062 -5.056 14.323 1.00 0.00 H new ATOM 0 HB3 LYS A 563 42.510 -6.040 12.944 1.00 0.00 H new ATOM 0 HG2 LYS A 563 42.801 -3.960 11.568 1.00 0.00 H new ATOM 0 HG3 LYS A 563 42.380 -2.987 12.964 1.00 0.00 H new ATOM 0 HD2 LYS A 563 44.764 -4.886 12.833 1.00 0.00 H new ATOM 0 HD3 LYS A 563 44.855 -3.156 12.572 1.00 0.00 H new ATOM 0 HE2 LYS A 563 43.984 -2.770 14.895 1.00 0.00 H new ATOM 0 HE3 LYS A 563 43.926 -4.502 15.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 563 45.935 -3.546 16.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 563 46.325 -4.606 14.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 563 46.381 -2.928 14.554 1.00 0.00 H new ATOM 477 N CYS A 564 40.462 -4.345 10.460 1.00 0.00 N ATOM 478 CA CYS A 564 40.599 -4.313 9.000 1.00 0.00 C ATOM 479 C CYS A 564 42.081 -4.125 8.612 1.00 0.00 C ATOM 480 O CYS A 564 42.586 -3.016 8.820 1.00 0.00 O ATOM 481 CB CYS A 564 39.810 -3.109 8.449 1.00 0.00 C ATOM 482 SG CYS A 564 39.724 -3.192 6.620 1.00 0.00 S ATOM 0 H CYS A 564 40.395 -3.403 10.845 1.00 0.00 H new ATOM 0 HA CYS A 564 40.222 -5.250 8.589 1.00 0.00 H new ATOM 0 HB2 CYS A 564 38.804 -3.102 8.868 1.00 0.00 H new ATOM 0 HB3 CYS A 564 40.289 -2.179 8.756 1.00 0.00 H new ATOM 0 HG CYS A 564 38.709 -2.496 6.201 1.00 0.00 H new ATOM 487 N PRO A 565 42.779 -5.126 8.035 1.00 0.00 N ATOM 488 CA PRO A 565 44.170 -4.983 7.603 1.00 0.00 C ATOM 489 C PRO A 565 44.408 -3.975 6.466 1.00 0.00 C ATOM 490 O PRO A 565 45.539 -3.510 6.308 1.00 0.00 O ATOM 491 CB PRO A 565 44.600 -6.390 7.168 1.00 0.00 C ATOM 492 CG PRO A 565 43.663 -7.323 7.923 1.00 0.00 C ATOM 493 CD PRO A 565 42.368 -6.517 7.970 1.00 0.00 C ATOM 0 HA PRO A 565 44.754 -4.576 8.428 1.00 0.00 H new ATOM 0 HB2 PRO A 565 44.505 -6.519 6.090 1.00 0.00 H new ATOM 0 HB3 PRO A 565 45.642 -6.583 7.422 1.00 0.00 H new ATOM 0 HG2 PRO A 565 43.532 -8.273 7.405 1.00 0.00 H new ATOM 0 HG3 PRO A 565 44.035 -7.552 8.921 1.00 0.00 H new ATOM 0 HD2 PRO A 565 41.757 -6.705 7.087 1.00 0.00 H new ATOM 0 HD3 PRO A 565 41.767 -6.790 8.838 1.00 0.00 H new ATOM 501 N ILE A 566 43.378 -3.643 5.665 1.00 0.00 N ATOM 502 CA ILE A 566 43.491 -2.731 4.508 1.00 0.00 C ATOM 503 C ILE A 566 43.704 -1.285 4.971 1.00 0.00 C ATOM 504 O ILE A 566 44.689 -0.647 4.580 1.00 0.00 O ATOM 505 CB ILE A 566 42.250 -2.848 3.584 1.00 0.00 C ATOM 506 CG1 ILE A 566 42.194 -4.252 2.939 1.00 0.00 C ATOM 507 CG2 ILE A 566 42.246 -1.776 2.476 1.00 0.00 C ATOM 508 CD1 ILE A 566 40.844 -4.614 2.301 1.00 0.00 C ATOM 0 H ILE A 566 42.434 -4.003 5.803 1.00 0.00 H new ATOM 0 HA ILE A 566 44.365 -3.028 3.928 1.00 0.00 H new ATOM 0 HB ILE A 566 41.371 -2.689 4.208 1.00 0.00 H new ATOM 0 HG12 ILE A 566 42.970 -4.317 2.176 1.00 0.00 H new ATOM 0 HG13 ILE A 566 42.432 -4.996 3.700 1.00 0.00 H new ATOM 0 HG21 ILE A 566 41.359 -1.898 1.855 1.00 0.00 H new ATOM 0 HG22 ILE A 566 42.238 -0.785 2.929 1.00 0.00 H new ATOM 0 HG23 ILE A 566 43.138 -1.886 1.860 1.00 0.00 H new ATOM 0 HD11 ILE A 566 40.900 -5.616 1.875 1.00 0.00 H new ATOM 0 HD12 ILE A 566 40.063 -4.586 3.061 1.00 0.00 H new ATOM 0 HD13 ILE A 566 40.610 -3.897 1.514 1.00 0.00 H new ATOM 520 N CYS A 567 42.798 -0.775 5.813 1.00 0.00 N ATOM 521 CA CYS A 567 42.830 0.596 6.322 1.00 0.00 C ATOM 522 C CYS A 567 43.333 0.712 7.786 1.00 0.00 C ATOM 523 O CYS A 567 43.407 1.818 8.333 1.00 0.00 O ATOM 524 CB CYS A 567 41.462 1.243 6.057 1.00 0.00 C ATOM 525 SG CYS A 567 40.184 0.633 7.196 1.00 0.00 S ATOM 0 H CYS A 567 42.008 -1.316 6.165 1.00 0.00 H new ATOM 0 HA CYS A 567 43.586 1.163 5.779 1.00 0.00 H new ATOM 0 HB2 CYS A 567 41.548 2.325 6.156 1.00 0.00 H new ATOM 0 HB3 CYS A 567 41.158 1.040 5.030 1.00 0.00 H new ATOM 0 HG CYS A 567 40.001 -0.639 7.002 1.00 0.00 H new ATOM 530 N LYS A 568 43.676 -0.429 8.406 1.00 0.00 N ATOM 531 CA LYS A 568 44.093 -0.605 9.814 1.00 0.00 C ATOM 532 C LYS A 568 43.075 -0.055 10.826 1.00 0.00 C ATOM 533 O LYS A 568 43.451 0.644 11.768 1.00 0.00 O ATOM 534 CB LYS A 568 45.578 -0.245 10.058 1.00 0.00 C ATOM 535 CG LYS A 568 46.008 1.216 9.826 1.00 0.00 C ATOM 536 CD LYS A 568 47.454 1.447 10.294 1.00 0.00 C ATOM 537 CE LYS A 568 47.910 2.911 10.173 1.00 0.00 C ATOM 538 NZ LYS A 568 48.008 3.362 8.759 1.00 0.00 N ATOM 0 H LYS A 568 43.670 -1.317 7.905 1.00 0.00 H new ATOM 0 HA LYS A 568 44.070 -1.675 10.019 1.00 0.00 H new ATOM 0 HB2 LYS A 568 45.822 -0.507 11.088 1.00 0.00 H new ATOM 0 HB3 LYS A 568 46.187 -0.880 9.415 1.00 0.00 H new ATOM 0 HG2 LYS A 568 45.922 1.460 8.767 1.00 0.00 H new ATOM 0 HG3 LYS A 568 45.337 1.886 10.364 1.00 0.00 H new ATOM 0 HD2 LYS A 568 47.547 1.130 11.333 1.00 0.00 H new ATOM 0 HD3 LYS A 568 48.123 0.817 9.708 1.00 0.00 H new ATOM 0 HE2 LYS A 568 47.209 3.552 10.708 1.00 0.00 H new ATOM 0 HE3 LYS A 568 48.880 3.027 10.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 48.319 4.354 8.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 48.697 2.770 8.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 47.077 3.278 8.303 1.00 0.00 H new ATOM 552 N GLU A 569 41.782 -0.361 10.634 1.00 0.00 N ATOM 553 CA GLU A 569 40.698 0.187 11.484 1.00 0.00 C ATOM 554 C GLU A 569 39.870 -0.885 12.191 1.00 0.00 C ATOM 555 O GLU A 569 39.678 -1.981 11.676 1.00 0.00 O ATOM 556 CB GLU A 569 39.756 1.090 10.677 1.00 0.00 C ATOM 557 CG GLU A 569 40.340 2.456 10.288 1.00 0.00 C ATOM 558 CD GLU A 569 40.634 3.404 11.472 1.00 0.00 C ATOM 559 OE1 GLU A 569 40.114 3.189 12.595 1.00 0.00 O ATOM 560 OE2 GLU A 569 41.365 4.406 11.272 1.00 0.00 O ATOM 0 H GLU A 569 41.455 -0.986 9.897 1.00 0.00 H new ATOM 0 HA GLU A 569 41.210 0.769 12.251 1.00 0.00 H new ATOM 0 HB2 GLU A 569 39.464 0.564 9.768 1.00 0.00 H new ATOM 0 HB3 GLU A 569 38.847 1.252 11.257 1.00 0.00 H new ATOM 0 HG2 GLU A 569 41.265 2.294 9.734 1.00 0.00 H new ATOM 0 HG3 GLU A 569 39.645 2.951 9.610 1.00 0.00 H new ATOM 567 N THR A 570 39.338 -0.548 13.369 1.00 0.00 N ATOM 568 CA THR A 570 38.584 -1.472 14.227 1.00 0.00 C ATOM 569 C THR A 570 37.071 -1.399 13.974 1.00 0.00 C ATOM 570 O THR A 570 36.451 -0.343 14.155 1.00 0.00 O ATOM 571 CB THR A 570 38.904 -1.192 15.706 1.00 0.00 C ATOM 572 OG1 THR A 570 40.292 -1.352 15.922 1.00 0.00 O ATOM 573 CG2 THR A 570 38.194 -2.143 16.667 1.00 0.00 C ATOM 0 H THR A 570 39.419 0.390 13.762 1.00 0.00 H new ATOM 0 HA THR A 570 38.896 -2.486 13.976 1.00 0.00 H new ATOM 0 HB THR A 570 38.562 -0.176 15.904 1.00 0.00 H new ATOM 0 HG1 THR A 570 40.499 -1.173 16.863 1.00 0.00 H new ATOM 0 HG21 THR A 570 38.463 -1.891 17.693 1.00 0.00 H new ATOM 0 HG22 THR A 570 37.115 -2.049 16.541 1.00 0.00 H new ATOM 0 HG23 THR A 570 38.496 -3.168 16.454 1.00 0.00 H new ATOM 581 N VAL A 571 36.459 -2.525 13.587 1.00 0.00 N ATOM 582 CA VAL A 571 34.998 -2.706 13.560 1.00 0.00 C ATOM 583 C VAL A 571 34.478 -2.993 14.970 1.00 0.00 C ATOM 584 O VAL A 571 35.155 -3.662 15.751 1.00 0.00 O ATOM 585 CB VAL A 571 34.512 -3.823 12.618 1.00 0.00 C ATOM 586 CG1 VAL A 571 34.495 -3.337 11.177 1.00 0.00 C ATOM 587 CG2 VAL A 571 35.302 -5.126 12.709 1.00 0.00 C ATOM 0 H VAL A 571 36.972 -3.351 13.278 1.00 0.00 H new ATOM 0 HA VAL A 571 34.599 -1.769 13.171 1.00 0.00 H new ATOM 0 HB VAL A 571 33.503 -4.058 12.957 1.00 0.00 H new ATOM 0 HG11 VAL A 571 34.149 -4.140 10.526 1.00 0.00 H new ATOM 0 HG12 VAL A 571 33.823 -2.483 11.089 1.00 0.00 H new ATOM 0 HG13 VAL A 571 35.501 -3.039 10.882 1.00 0.00 H new ATOM 0 HG21 VAL A 571 34.887 -5.852 12.010 1.00 0.00 H new ATOM 0 HG22 VAL A 571 36.346 -4.937 12.459 1.00 0.00 H new ATOM 0 HG23 VAL A 571 35.238 -5.521 13.723 1.00 0.00 H new ATOM 597 N THR A 572 33.263 -2.540 15.277 1.00 0.00 N ATOM 598 CA THR A 572 32.572 -2.804 16.547 1.00 0.00 C ATOM 599 C THR A 572 31.175 -3.369 16.313 1.00 0.00 C ATOM 600 O THR A 572 30.515 -3.073 15.309 1.00 0.00 O ATOM 601 CB THR A 572 32.520 -1.552 17.441 1.00 0.00 C ATOM 602 OG1 THR A 572 31.843 -0.494 16.796 1.00 0.00 O ATOM 603 CG2 THR A 572 33.919 -1.060 17.830 1.00 0.00 C ATOM 0 H THR A 572 32.715 -1.965 14.637 1.00 0.00 H new ATOM 0 HA THR A 572 33.154 -3.559 17.077 1.00 0.00 H new ATOM 0 HB THR A 572 31.983 -1.847 18.342 1.00 0.00 H new ATOM 0 HG1 THR A 572 31.822 0.289 17.385 1.00 0.00 H new ATOM 0 HG21 THR A 572 33.831 -0.175 18.460 1.00 0.00 H new ATOM 0 HG22 THR A 572 34.442 -1.845 18.377 1.00 0.00 H new ATOM 0 HG23 THR A 572 34.480 -0.810 16.930 1.00 0.00 H new ATOM 611 N GLY A 573 30.724 -4.224 17.234 1.00 0.00 N ATOM 612 CA GLY A 573 29.423 -4.889 17.162 1.00 0.00 C ATOM 613 C GLY A 573 28.230 -3.953 17.395 1.00 0.00 C ATOM 614 O GLY A 573 28.305 -3.020 18.198 1.00 0.00 O ATOM 0 H GLY A 573 31.262 -4.477 18.063 1.00 0.00 H new ATOM 0 HA2 GLY A 573 29.319 -5.356 16.183 1.00 0.00 H new ATOM 0 HA3 GLY A 573 29.394 -5.689 17.902 1.00 0.00 H new ATOM 618 N VAL A 574 27.112 -4.251 16.726 1.00 0.00 N ATOM 619 CA VAL A 574 25.834 -3.530 16.839 1.00 0.00 C ATOM 620 C VAL A 574 24.661 -4.503 16.988 1.00 0.00 C ATOM 621 O VAL A 574 24.602 -5.501 16.281 1.00 0.00 O ATOM 622 CB VAL A 574 25.615 -2.609 15.614 1.00 0.00 C ATOM 623 CG1 VAL A 574 24.280 -1.855 15.676 1.00 0.00 C ATOM 624 CG2 VAL A 574 26.721 -1.554 15.462 1.00 0.00 C ATOM 0 H VAL A 574 27.067 -5.028 16.067 1.00 0.00 H new ATOM 0 HA VAL A 574 25.880 -2.913 17.736 1.00 0.00 H new ATOM 0 HB VAL A 574 25.625 -3.288 14.761 1.00 0.00 H new ATOM 0 HG11 VAL A 574 24.177 -1.224 14.793 1.00 0.00 H new ATOM 0 HG12 VAL A 574 23.459 -2.571 15.708 1.00 0.00 H new ATOM 0 HG13 VAL A 574 24.254 -1.234 16.571 1.00 0.00 H new ATOM 0 HG21 VAL A 574 26.517 -0.936 14.587 1.00 0.00 H new ATOM 0 HG22 VAL A 574 26.749 -0.925 16.352 1.00 0.00 H new ATOM 0 HG23 VAL A 574 27.683 -2.051 15.339 1.00 0.00 H new ATOM 634 N TYR A 575 23.719 -4.226 17.895 1.00 0.00 N ATOM 635 CA TYR A 575 22.588 -5.112 18.182 1.00 0.00 C ATOM 636 C TYR A 575 21.533 -5.114 17.061 1.00 0.00 C ATOM 637 O TYR A 575 20.914 -4.086 16.774 1.00 0.00 O ATOM 638 CB TYR A 575 21.960 -4.675 19.517 1.00 0.00 C ATOM 639 CG TYR A 575 20.809 -5.539 20.000 1.00 0.00 C ATOM 640 CD1 TYR A 575 19.503 -5.010 20.090 1.00 0.00 C ATOM 641 CD2 TYR A 575 21.053 -6.869 20.390 1.00 0.00 C ATOM 642 CE1 TYR A 575 18.448 -5.811 20.571 1.00 0.00 C ATOM 643 CE2 TYR A 575 20.005 -7.666 20.881 1.00 0.00 C ATOM 644 CZ TYR A 575 18.698 -7.140 20.972 1.00 0.00 C ATOM 645 OH TYR A 575 17.684 -7.900 21.463 1.00 0.00 O ATOM 0 H TYR A 575 23.721 -3.373 18.455 1.00 0.00 H new ATOM 0 HA TYR A 575 22.959 -6.135 18.247 1.00 0.00 H new ATOM 0 HB2 TYR A 575 22.737 -4.671 20.282 1.00 0.00 H new ATOM 0 HB3 TYR A 575 21.606 -3.649 19.416 1.00 0.00 H new ATOM 0 HD1 TYR A 575 19.312 -3.990 19.790 1.00 0.00 H new ATOM 0 HD2 TYR A 575 22.049 -7.279 20.312 1.00 0.00 H new ATOM 0 HE1 TYR A 575 17.448 -5.407 20.633 1.00 0.00 H new ATOM 0 HE2 TYR A 575 20.200 -8.683 21.189 1.00 0.00 H new ATOM 0 HH TYR A 575 18.024 -8.790 21.692 1.00 0.00 H new ATOM 655 N ASP A 576 21.295 -6.278 16.445 1.00 0.00 N ATOM 656 CA ASP A 576 20.158 -6.493 15.538 1.00 0.00 C ATOM 657 C ASP A 576 18.910 -6.815 16.364 1.00 0.00 C ATOM 658 O ASP A 576 18.822 -7.880 16.982 1.00 0.00 O ATOM 659 CB ASP A 576 20.460 -7.613 14.524 1.00 0.00 C ATOM 660 CG ASP A 576 19.405 -7.775 13.407 1.00 0.00 C ATOM 661 OD1 ASP A 576 18.328 -7.133 13.466 1.00 0.00 O ATOM 662 OD2 ASP A 576 19.675 -8.531 12.444 1.00 0.00 O ATOM 0 H ASP A 576 21.887 -7.101 16.561 1.00 0.00 H new ATOM 0 HA ASP A 576 19.981 -5.583 14.965 1.00 0.00 H new ATOM 0 HB2 ASP A 576 21.429 -7.417 14.064 1.00 0.00 H new ATOM 0 HB3 ASP A 576 20.548 -8.557 15.062 1.00 0.00 H new ATOM 667 N GLU A 577 17.958 -5.882 16.381 1.00 0.00 N ATOM 668 CA GLU A 577 16.733 -5.954 17.184 1.00 0.00 C ATOM 669 C GLU A 577 15.750 -7.057 16.731 1.00 0.00 C ATOM 670 O GLU A 577 14.959 -7.537 17.549 1.00 0.00 O ATOM 671 CB GLU A 577 16.013 -4.591 17.152 1.00 0.00 C ATOM 672 CG GLU A 577 16.858 -3.447 17.728 1.00 0.00 C ATOM 673 CD GLU A 577 16.129 -2.090 17.646 1.00 0.00 C ATOM 674 OE1 GLU A 577 15.717 -1.676 16.536 1.00 0.00 O ATOM 675 OE2 GLU A 577 15.983 -1.410 18.691 1.00 0.00 O ATOM 0 H GLU A 577 18.017 -5.031 15.822 1.00 0.00 H new ATOM 0 HA GLU A 577 17.047 -6.212 18.195 1.00 0.00 H new ATOM 0 HB2 GLU A 577 15.745 -4.353 16.123 1.00 0.00 H new ATOM 0 HB3 GLU A 577 15.082 -4.666 17.715 1.00 0.00 H new ATOM 0 HG2 GLU A 577 17.102 -3.665 18.768 1.00 0.00 H new ATOM 0 HG3 GLU A 577 17.801 -3.385 17.186 1.00 0.00 H new ATOM 682 N GLU A 578 15.784 -7.459 15.455 1.00 0.00 N ATOM 683 CA GLU A 578 14.844 -8.446 14.893 1.00 0.00 C ATOM 684 C GLU A 578 15.247 -9.890 15.230 1.00 0.00 C ATOM 685 O GLU A 578 14.421 -10.671 15.707 1.00 0.00 O ATOM 686 CB GLU A 578 14.710 -8.224 13.372 1.00 0.00 C ATOM 687 CG GLU A 578 13.689 -9.148 12.687 1.00 0.00 C ATOM 688 CD GLU A 578 12.250 -9.039 13.240 1.00 0.00 C ATOM 689 OE1 GLU A 578 11.527 -10.063 13.248 1.00 0.00 O ATOM 690 OE2 GLU A 578 11.806 -7.930 13.624 1.00 0.00 O ATOM 0 H GLU A 578 16.464 -7.111 14.779 1.00 0.00 H new ATOM 0 HA GLU A 578 13.869 -8.294 15.355 1.00 0.00 H new ATOM 0 HB2 GLU A 578 14.424 -7.188 13.191 1.00 0.00 H new ATOM 0 HB3 GLU A 578 15.685 -8.371 12.907 1.00 0.00 H new ATOM 0 HG2 GLU A 578 13.672 -8.922 11.621 1.00 0.00 H new ATOM 0 HG3 GLU A 578 14.026 -10.179 12.789 1.00 0.00 H new ATOM 697 N SER A 579 16.524 -10.248 15.018 1.00 0.00 N ATOM 698 CA SER A 579 17.082 -11.549 15.424 1.00 0.00 C ATOM 699 C SER A 579 17.415 -11.603 16.921 1.00 0.00 C ATOM 700 O SER A 579 17.347 -12.671 17.529 1.00 0.00 O ATOM 701 CB SER A 579 18.332 -11.856 14.605 1.00 0.00 C ATOM 702 OG SER A 579 19.360 -10.922 14.870 1.00 0.00 O ATOM 0 H SER A 579 17.202 -9.640 14.558 1.00 0.00 H new ATOM 0 HA SER A 579 16.317 -12.302 15.234 1.00 0.00 H new ATOM 0 HB2 SER A 579 18.683 -12.862 14.836 1.00 0.00 H new ATOM 0 HB3 SER A 579 18.087 -11.839 13.543 1.00 0.00 H new ATOM 0 HG SER A 579 20.150 -11.143 14.333 1.00 0.00 H new ATOM 708 N GLY A 580 17.741 -10.460 17.525 1.00 0.00 N ATOM 709 CA GLY A 580 18.146 -10.340 18.930 1.00 0.00 C ATOM 710 C GLY A 580 19.632 -10.670 19.147 1.00 0.00 C ATOM 711 O GLY A 580 19.988 -11.212 20.192 1.00 0.00 O ATOM 0 H GLY A 580 17.731 -9.564 17.037 1.00 0.00 H new ATOM 0 HA2 GLY A 580 17.949 -9.325 19.276 1.00 0.00 H new ATOM 0 HA3 GLY A 580 17.537 -11.008 19.538 1.00 0.00 H new ATOM 715 N GLU A 581 20.500 -10.403 18.161 1.00 0.00 N ATOM 716 CA GLU A 581 21.922 -10.779 18.177 1.00 0.00 C ATOM 717 C GLU A 581 22.811 -9.620 17.704 1.00 0.00 C ATOM 718 O GLU A 581 22.439 -8.846 16.826 1.00 0.00 O ATOM 719 CB GLU A 581 22.172 -12.028 17.309 1.00 0.00 C ATOM 720 CG GLU A 581 21.397 -13.265 17.782 1.00 0.00 C ATOM 721 CD GLU A 581 21.826 -14.549 17.047 1.00 0.00 C ATOM 722 OE1 GLU A 581 22.139 -15.560 17.723 1.00 0.00 O ATOM 723 OE2 GLU A 581 21.833 -14.571 15.789 1.00 0.00 O ATOM 0 H GLU A 581 20.228 -9.909 17.311 1.00 0.00 H new ATOM 0 HA GLU A 581 22.186 -11.013 19.208 1.00 0.00 H new ATOM 0 HB2 GLU A 581 21.894 -11.807 16.279 1.00 0.00 H new ATOM 0 HB3 GLU A 581 23.238 -12.254 17.310 1.00 0.00 H new ATOM 0 HG2 GLU A 581 21.548 -13.396 18.853 1.00 0.00 H new ATOM 0 HG3 GLU A 581 20.330 -13.102 17.628 1.00 0.00 H new ATOM 730 N TRP A 582 24.008 -9.495 18.274 1.00 0.00 N ATOM 731 CA TRP A 582 24.984 -8.474 17.882 1.00 0.00 C ATOM 732 C TRP A 582 25.700 -8.851 16.582 1.00 0.00 C ATOM 733 O TRP A 582 26.043 -10.008 16.365 1.00 0.00 O ATOM 734 CB TRP A 582 25.950 -8.210 19.037 1.00 0.00 C ATOM 735 CG TRP A 582 25.319 -7.643 20.284 1.00 0.00 C ATOM 736 CD1 TRP A 582 24.611 -8.336 21.208 1.00 0.00 C ATOM 737 CD2 TRP A 582 25.302 -6.250 20.736 1.00 0.00 C ATOM 738 NE1 TRP A 582 24.178 -7.480 22.202 1.00 0.00 N ATOM 739 CE2 TRP A 582 24.576 -6.186 21.965 1.00 0.00 C ATOM 740 CE3 TRP A 582 25.850 -5.047 20.253 1.00 0.00 C ATOM 741 CZ2 TRP A 582 24.381 -4.976 22.655 1.00 0.00 C ATOM 742 CZ3 TRP A 582 25.660 -3.825 20.928 1.00 0.00 C ATOM 743 CH2 TRP A 582 24.927 -3.786 22.129 1.00 0.00 C ATOM 0 H TRP A 582 24.332 -10.103 19.026 1.00 0.00 H new ATOM 0 HA TRP A 582 24.459 -7.542 17.671 1.00 0.00 H new ATOM 0 HB2 TRP A 582 26.448 -9.145 19.294 1.00 0.00 H new ATOM 0 HB3 TRP A 582 26.722 -7.521 18.694 1.00 0.00 H new ATOM 0 HD1 TRP A 582 24.415 -9.397 21.173 1.00 0.00 H new ATOM 0 HE1 TRP A 582 23.631 -7.772 23.012 1.00 0.00 H new ATOM 0 HE3 TRP A 582 26.431 -5.061 19.342 1.00 0.00 H new ATOM 0 HZ2 TRP A 582 23.819 -4.958 23.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 582 26.078 -2.915 20.523 1.00 0.00 H new ATOM 0 HH2 TRP A 582 24.783 -2.849 22.646 1.00 0.00 H new ATOM 754 N VAL A 583 25.949 -7.870 15.714 1.00 0.00 N ATOM 755 CA VAL A 583 26.490 -8.038 14.353 1.00 0.00 C ATOM 756 C VAL A 583 27.583 -7.023 14.022 1.00 0.00 C ATOM 757 O VAL A 583 27.514 -5.851 14.388 1.00 0.00 O ATOM 758 CB VAL A 583 25.377 -7.983 13.276 1.00 0.00 C ATOM 759 CG1 VAL A 583 24.454 -9.200 13.349 1.00 0.00 C ATOM 760 CG2 VAL A 583 24.489 -6.733 13.315 1.00 0.00 C ATOM 0 H VAL A 583 25.774 -6.892 15.944 1.00 0.00 H new ATOM 0 HA VAL A 583 26.941 -9.030 14.339 1.00 0.00 H new ATOM 0 HB VAL A 583 25.941 -7.963 12.343 1.00 0.00 H new ATOM 0 HG11 VAL A 583 23.688 -9.122 12.577 1.00 0.00 H new ATOM 0 HG12 VAL A 583 25.036 -10.108 13.192 1.00 0.00 H new ATOM 0 HG13 VAL A 583 23.979 -9.238 14.329 1.00 0.00 H new ATOM 0 HG21 VAL A 583 23.743 -6.792 12.522 1.00 0.00 H new ATOM 0 HG22 VAL A 583 23.988 -6.673 14.281 1.00 0.00 H new ATOM 0 HG23 VAL A 583 25.104 -5.845 13.170 1.00 0.00 H new ATOM 770 N TRP A 584 28.591 -7.476 13.290 1.00 0.00 N ATOM 771 CA TRP A 584 29.633 -6.647 12.687 1.00 0.00 C ATOM 772 C TRP A 584 29.151 -6.215 11.301 1.00 0.00 C ATOM 773 O TRP A 584 29.280 -6.963 10.327 1.00 0.00 O ATOM 774 CB TRP A 584 30.934 -7.461 12.612 1.00 0.00 C ATOM 775 CG TRP A 584 31.812 -7.432 13.824 1.00 0.00 C ATOM 776 CD1 TRP A 584 32.219 -6.314 14.466 1.00 0.00 C ATOM 777 CD2 TRP A 584 32.440 -8.552 14.522 1.00 0.00 C ATOM 778 NE1 TRP A 584 33.024 -6.665 15.534 1.00 0.00 N ATOM 779 CE2 TRP A 584 33.213 -8.028 15.606 1.00 0.00 C ATOM 780 CE3 TRP A 584 32.431 -9.954 14.367 1.00 0.00 C ATOM 781 CZ2 TRP A 584 33.924 -8.858 16.487 1.00 0.00 C ATOM 782 CZ3 TRP A 584 33.148 -10.793 15.238 1.00 0.00 C ATOM 783 CH2 TRP A 584 33.889 -10.247 16.303 1.00 0.00 C ATOM 0 H TRP A 584 28.713 -8.469 13.090 1.00 0.00 H new ATOM 0 HA TRP A 584 29.831 -5.755 13.281 1.00 0.00 H new ATOM 0 HB2 TRP A 584 30.675 -8.499 12.403 1.00 0.00 H new ATOM 0 HB3 TRP A 584 31.514 -7.100 11.762 1.00 0.00 H new ATOM 0 HD1 TRP A 584 31.956 -5.304 14.188 1.00 0.00 H new ATOM 0 HE1 TRP A 584 33.429 -5.996 16.189 1.00 0.00 H new ATOM 0 HE3 TRP A 584 31.861 -10.393 13.561 1.00 0.00 H new ATOM 0 HZ2 TRP A 584 34.493 -8.430 17.299 1.00 0.00 H new ATOM 0 HZ3 TRP A 584 33.130 -11.863 15.089 1.00 0.00 H new ATOM 0 HH2 TRP A 584 34.429 -10.896 16.976 1.00 0.00 H new ATOM 794 N LYS A 585 28.563 -5.022 11.224 1.00 0.00 N ATOM 795 CA LYS A 585 28.129 -4.389 9.964 1.00 0.00 C ATOM 796 C LYS A 585 29.332 -3.961 9.108 1.00 0.00 C ATOM 797 O LYS A 585 30.438 -3.823 9.626 1.00 0.00 O ATOM 798 CB LYS A 585 27.189 -3.210 10.277 1.00 0.00 C ATOM 799 CG LYS A 585 25.897 -3.701 10.949 1.00 0.00 C ATOM 800 CD LYS A 585 24.943 -2.523 11.176 1.00 0.00 C ATOM 801 CE LYS A 585 23.648 -2.940 11.886 1.00 0.00 C ATOM 802 NZ LYS A 585 22.744 -3.733 11.013 1.00 0.00 N ATOM 0 H LYS A 585 28.368 -4.452 12.047 1.00 0.00 H new ATOM 0 HA LYS A 585 27.576 -5.118 9.371 1.00 0.00 H new ATOM 0 HB2 LYS A 585 27.696 -2.499 10.930 1.00 0.00 H new ATOM 0 HB3 LYS A 585 26.946 -2.680 9.356 1.00 0.00 H new ATOM 0 HG2 LYS A 585 25.416 -4.454 10.324 1.00 0.00 H new ATOM 0 HG3 LYS A 585 26.131 -4.178 11.900 1.00 0.00 H new ATOM 0 HD2 LYS A 585 25.448 -1.760 11.768 1.00 0.00 H new ATOM 0 HD3 LYS A 585 24.697 -2.070 10.216 1.00 0.00 H new ATOM 0 HE2 LYS A 585 23.896 -3.525 12.771 1.00 0.00 H new ATOM 0 HE3 LYS A 585 23.124 -2.048 12.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 585 21.886 -3.988 11.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 585 22.482 -3.168 10.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 585 23.231 -4.599 10.705 1.00 0.00 H new ATOM 816 N ASN A 586 29.121 -3.740 7.806 1.00 0.00 N ATOM 817 CA ASN A 586 30.158 -3.369 6.835 1.00 0.00 C ATOM 818 C ASN A 586 31.346 -4.369 6.819 1.00 0.00 C ATOM 819 O ASN A 586 32.482 -3.960 6.590 1.00 0.00 O ATOM 820 CB ASN A 586 30.541 -1.889 7.099 1.00 0.00 C ATOM 821 CG ASN A 586 31.384 -1.145 6.063 1.00 0.00 C ATOM 822 OD1 ASN A 586 31.844 -0.045 6.327 1.00 0.00 O ATOM 823 ND2 ASN A 586 31.613 -1.646 4.872 1.00 0.00 N ATOM 0 H ASN A 586 28.195 -3.817 7.385 1.00 0.00 H new ATOM 0 HA ASN A 586 29.779 -3.440 5.816 1.00 0.00 H new ATOM 0 HB2 ASN A 586 29.616 -1.329 7.234 1.00 0.00 H new ATOM 0 HB3 ASN A 586 31.077 -1.852 8.047 1.00 0.00 H new ATOM 0 HD21 ASN A 586 32.163 -1.119 4.194 1.00 0.00 H new ATOM 0 HD22 ASN A 586 31.241 -2.563 4.624 1.00 0.00 H new ATOM 830 N THR A 587 31.118 -5.668 7.083 1.00 0.00 N ATOM 831 CA THR A 587 32.183 -6.667 7.316 1.00 0.00 C ATOM 832 C THR A 587 32.091 -7.883 6.397 1.00 0.00 C ATOM 833 O THR A 587 31.000 -8.327 6.040 1.00 0.00 O ATOM 834 CB THR A 587 32.232 -7.112 8.794 1.00 0.00 C ATOM 835 OG1 THR A 587 32.412 -5.982 9.617 1.00 0.00 O ATOM 836 CG2 THR A 587 33.412 -8.024 9.144 1.00 0.00 C ATOM 0 H THR A 587 30.179 -6.061 7.142 1.00 0.00 H new ATOM 0 HA THR A 587 33.115 -6.158 7.070 1.00 0.00 H new ATOM 0 HB THR A 587 31.295 -7.647 8.950 1.00 0.00 H new ATOM 0 HG1 THR A 587 31.632 -5.394 9.541 1.00 0.00 H new ATOM 0 HG21 THR A 587 33.367 -8.287 10.201 1.00 0.00 H new ATOM 0 HG22 THR A 587 33.362 -8.931 8.542 1.00 0.00 H new ATOM 0 HG23 THR A 587 34.347 -7.503 8.939 1.00 0.00 H new ATOM 844 N ILE A 588 33.247 -8.445 6.032 1.00 0.00 N ATOM 845 CA ILE A 588 33.427 -9.645 5.192 1.00 0.00 C ATOM 846 C ILE A 588 34.618 -10.486 5.686 1.00 0.00 C ATOM 847 O ILE A 588 35.590 -9.946 6.212 1.00 0.00 O ATOM 848 CB ILE A 588 33.581 -9.223 3.702 1.00 0.00 C ATOM 849 CG1 ILE A 588 33.722 -10.453 2.780 1.00 0.00 C ATOM 850 CG2 ILE A 588 34.786 -8.296 3.456 1.00 0.00 C ATOM 851 CD1 ILE A 588 33.624 -10.152 1.280 1.00 0.00 C ATOM 0 H ILE A 588 34.141 -8.054 6.331 1.00 0.00 H new ATOM 0 HA ILE A 588 32.543 -10.278 5.271 1.00 0.00 H new ATOM 0 HB ILE A 588 32.669 -8.674 3.466 1.00 0.00 H new ATOM 0 HG12 ILE A 588 34.683 -10.929 2.978 1.00 0.00 H new ATOM 0 HG13 ILE A 588 32.949 -11.175 3.042 1.00 0.00 H new ATOM 0 HG21 ILE A 588 34.837 -8.039 2.398 1.00 0.00 H new ATOM 0 HG22 ILE A 588 34.672 -7.386 4.046 1.00 0.00 H new ATOM 0 HG23 ILE A 588 35.703 -8.806 3.750 1.00 0.00 H new ATOM 0 HD11 ILE A 588 33.735 -11.078 0.715 1.00 0.00 H new ATOM 0 HD12 ILE A 588 32.653 -9.707 1.061 1.00 0.00 H new ATOM 0 HD13 ILE A 588 34.414 -9.457 0.996 1.00 0.00 H new ATOM 863 N GLU A 589 34.564 -11.811 5.506 1.00 0.00 N ATOM 864 CA GLU A 589 35.701 -12.725 5.699 1.00 0.00 C ATOM 865 C GLU A 589 36.207 -13.232 4.335 1.00 0.00 C ATOM 866 O GLU A 589 35.444 -13.827 3.574 1.00 0.00 O ATOM 867 CB GLU A 589 35.302 -13.875 6.642 1.00 0.00 C ATOM 868 CG GLU A 589 36.477 -14.819 6.942 1.00 0.00 C ATOM 869 CD GLU A 589 36.106 -16.044 7.812 1.00 0.00 C ATOM 870 OE1 GLU A 589 35.063 -16.049 8.510 1.00 0.00 O ATOM 871 OE2 GLU A 589 36.875 -17.034 7.802 1.00 0.00 O ATOM 0 H GLU A 589 33.711 -12.290 5.216 1.00 0.00 H new ATOM 0 HA GLU A 589 36.525 -12.192 6.173 1.00 0.00 H new ATOM 0 HB2 GLU A 589 34.924 -13.461 7.577 1.00 0.00 H new ATOM 0 HB3 GLU A 589 34.488 -14.444 6.193 1.00 0.00 H new ATOM 0 HG2 GLU A 589 36.894 -15.171 5.999 1.00 0.00 H new ATOM 0 HG3 GLU A 589 37.261 -14.254 7.446 1.00 0.00 H new ATOM 878 N VAL A 590 37.489 -13.001 4.028 1.00 0.00 N ATOM 879 CA VAL A 590 38.147 -13.297 2.740 1.00 0.00 C ATOM 880 C VAL A 590 39.595 -13.748 2.990 1.00 0.00 C ATOM 881 O VAL A 590 40.265 -13.232 3.886 1.00 0.00 O ATOM 882 CB VAL A 590 38.051 -12.069 1.792 1.00 0.00 C ATOM 883 CG1 VAL A 590 39.230 -11.889 0.833 1.00 0.00 C ATOM 884 CG2 VAL A 590 36.785 -12.159 0.929 1.00 0.00 C ATOM 0 H VAL A 590 38.131 -12.582 4.701 1.00 0.00 H new ATOM 0 HA VAL A 590 37.635 -14.118 2.239 1.00 0.00 H new ATOM 0 HB VAL A 590 38.042 -11.215 2.469 1.00 0.00 H new ATOM 0 HG11 VAL A 590 39.066 -11.005 0.216 1.00 0.00 H new ATOM 0 HG12 VAL A 590 40.149 -11.766 1.406 1.00 0.00 H new ATOM 0 HG13 VAL A 590 39.316 -12.767 0.193 1.00 0.00 H new ATOM 0 HG21 VAL A 590 36.731 -11.292 0.270 1.00 0.00 H new ATOM 0 HG22 VAL A 590 36.817 -13.069 0.330 1.00 0.00 H new ATOM 0 HG23 VAL A 590 35.906 -12.180 1.573 1.00 0.00 H new ATOM 894 N ASN A 591 40.082 -14.724 2.212 1.00 0.00 N ATOM 895 CA ASN A 591 41.457 -15.255 2.263 1.00 0.00 C ATOM 896 C ASN A 591 41.918 -15.694 3.681 1.00 0.00 C ATOM 897 O ASN A 591 43.108 -15.660 4.003 1.00 0.00 O ATOM 898 CB ASN A 591 42.403 -14.258 1.553 1.00 0.00 C ATOM 899 CG ASN A 591 43.701 -14.868 1.038 1.00 0.00 C ATOM 900 OD1 ASN A 591 43.959 -16.063 1.114 1.00 0.00 O ATOM 901 ND2 ASN A 591 44.564 -14.060 0.462 1.00 0.00 N ATOM 0 H ASN A 591 39.511 -15.184 1.503 1.00 0.00 H new ATOM 0 HA ASN A 591 41.489 -16.198 1.716 1.00 0.00 H new ATOM 0 HB2 ASN A 591 41.871 -13.808 0.715 1.00 0.00 H new ATOM 0 HB3 ASN A 591 42.646 -13.452 2.246 1.00 0.00 H new ATOM 0 HD21 ASN A 591 45.436 -14.430 0.085 1.00 0.00 H new ATOM 0 HD22 ASN A 591 44.361 -13.063 0.392 1.00 0.00 H new ATOM 908 N GLY A 592 40.971 -16.075 4.549 1.00 0.00 N ATOM 909 CA GLY A 592 41.198 -16.479 5.945 1.00 0.00 C ATOM 910 C GLY A 592 41.185 -15.353 6.996 1.00 0.00 C ATOM 911 O GLY A 592 41.408 -15.644 8.177 1.00 0.00 O ATOM 0 H GLY A 592 39.986 -16.112 4.288 1.00 0.00 H new ATOM 0 HA2 GLY A 592 40.436 -17.209 6.217 1.00 0.00 H new ATOM 0 HA3 GLY A 592 42.161 -16.987 6.001 1.00 0.00 H new ATOM 915 N LYS A 593 40.937 -14.091 6.608 1.00 0.00 N ATOM 916 CA LYS A 593 40.938 -12.908 7.496 1.00 0.00 C ATOM 917 C LYS A 593 39.670 -12.064 7.379 1.00 0.00 C ATOM 918 O LYS A 593 38.935 -12.138 6.397 1.00 0.00 O ATOM 919 CB LYS A 593 42.174 -12.028 7.231 1.00 0.00 C ATOM 920 CG LYS A 593 43.497 -12.762 7.471 1.00 0.00 C ATOM 921 CD LYS A 593 44.125 -13.243 6.156 1.00 0.00 C ATOM 922 CE LYS A 593 45.214 -14.290 6.404 1.00 0.00 C ATOM 923 NZ LYS A 593 45.648 -14.917 5.130 1.00 0.00 N ATOM 0 H LYS A 593 40.723 -13.855 5.639 1.00 0.00 H new ATOM 0 HA LYS A 593 40.972 -13.297 8.514 1.00 0.00 H new ATOM 0 HB2 LYS A 593 42.145 -11.672 6.201 1.00 0.00 H new ATOM 0 HB3 LYS A 593 42.131 -11.149 7.874 1.00 0.00 H new ATOM 0 HG2 LYS A 593 44.193 -12.099 7.986 1.00 0.00 H new ATOM 0 HG3 LYS A 593 43.326 -13.616 8.126 1.00 0.00 H new ATOM 0 HD2 LYS A 593 43.351 -13.666 5.515 1.00 0.00 H new ATOM 0 HD3 LYS A 593 44.551 -12.393 5.623 1.00 0.00 H new ATOM 0 HE2 LYS A 593 46.069 -13.822 6.893 1.00 0.00 H new ATOM 0 HE3 LYS A 593 44.839 -15.057 7.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 593 46.271 -15.724 5.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 593 44.814 -15.248 4.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 593 46.163 -14.219 4.557 1.00 0.00 H new ATOM 937 N TYR A 594 39.435 -11.238 8.395 1.00 0.00 N ATOM 938 CA TYR A 594 38.372 -10.227 8.388 1.00 0.00 C ATOM 939 C TYR A 594 38.803 -8.963 7.645 1.00 0.00 C ATOM 940 O TYR A 594 39.974 -8.574 7.666 1.00 0.00 O ATOM 941 CB TYR A 594 37.947 -9.874 9.819 1.00 0.00 C ATOM 942 CG TYR A 594 36.845 -10.750 10.388 1.00 0.00 C ATOM 943 CD1 TYR A 594 36.887 -12.153 10.259 1.00 0.00 C ATOM 944 CD2 TYR A 594 35.723 -10.144 10.988 1.00 0.00 C ATOM 945 CE1 TYR A 594 35.810 -12.945 10.702 1.00 0.00 C ATOM 946 CE2 TYR A 594 34.651 -10.934 11.443 1.00 0.00 C ATOM 947 CZ TYR A 594 34.688 -12.335 11.302 1.00 0.00 C ATOM 948 OH TYR A 594 33.632 -13.090 11.718 1.00 0.00 O ATOM 0 H TYR A 594 39.981 -11.249 9.257 1.00 0.00 H new ATOM 0 HA TYR A 594 37.520 -10.657 7.861 1.00 0.00 H new ATOM 0 HB2 TYR A 594 38.819 -9.942 10.470 1.00 0.00 H new ATOM 0 HB3 TYR A 594 37.614 -8.836 9.839 1.00 0.00 H new ATOM 0 HD1 TYR A 594 37.752 -12.625 9.817 1.00 0.00 H new ATOM 0 HD2 TYR A 594 35.686 -9.070 11.099 1.00 0.00 H new ATOM 0 HE1 TYR A 594 35.843 -14.018 10.583 1.00 0.00 H new ATOM 0 HE2 TYR A 594 33.795 -10.463 11.903 1.00 0.00 H new ATOM 0 HH TYR A 594 32.947 -12.508 12.109 1.00 0.00 H new ATOM 958 N PHE A 595 37.818 -8.309 7.034 1.00 0.00 N ATOM 959 CA PHE A 595 37.953 -7.101 6.225 1.00 0.00 C ATOM 960 C PHE A 595 36.654 -6.278 6.249 1.00 0.00 C ATOM 961 O PHE A 595 35.581 -6.796 6.564 1.00 0.00 O ATOM 962 CB PHE A 595 38.279 -7.526 4.778 1.00 0.00 C ATOM 963 CG PHE A 595 39.675 -8.086 4.557 1.00 0.00 C ATOM 964 CD1 PHE A 595 39.865 -9.459 4.302 1.00 0.00 C ATOM 965 CD2 PHE A 595 40.791 -7.234 4.603 1.00 0.00 C ATOM 966 CE1 PHE A 595 41.163 -9.961 4.081 1.00 0.00 C ATOM 967 CE2 PHE A 595 42.089 -7.741 4.392 1.00 0.00 C ATOM 968 CZ PHE A 595 42.275 -9.107 4.134 1.00 0.00 C ATOM 0 H PHE A 595 36.850 -8.626 7.094 1.00 0.00 H new ATOM 0 HA PHE A 595 38.750 -6.477 6.629 1.00 0.00 H new ATOM 0 HB2 PHE A 595 37.552 -8.276 4.466 1.00 0.00 H new ATOM 0 HB3 PHE A 595 38.146 -6.663 4.126 1.00 0.00 H new ATOM 0 HD1 PHE A 595 39.016 -10.126 4.276 1.00 0.00 H new ATOM 0 HD2 PHE A 595 40.653 -6.181 4.802 1.00 0.00 H new ATOM 0 HE1 PHE A 595 41.303 -11.011 3.869 1.00 0.00 H new ATOM 0 HE2 PHE A 595 42.940 -7.078 4.429 1.00 0.00 H new ATOM 0 HZ PHE A 595 43.269 -9.499 3.977 1.00 0.00 H new ATOM 978 N HIS A 596 36.728 -4.995 5.881 1.00 0.00 N ATOM 979 CA HIS A 596 35.524 -4.194 5.601 1.00 0.00 C ATOM 980 C HIS A 596 34.998 -4.586 4.217 1.00 0.00 C ATOM 981 O HIS A 596 35.775 -4.683 3.267 1.00 0.00 O ATOM 982 CB HIS A 596 35.811 -2.689 5.583 1.00 0.00 C ATOM 983 CG HIS A 596 35.964 -1.983 6.901 1.00 0.00 C ATOM 984 ND1 HIS A 596 37.104 -1.256 7.208 1.00 0.00 N ATOM 985 CD2 HIS A 596 35.053 -1.860 7.909 1.00 0.00 C ATOM 986 CE1 HIS A 596 36.872 -0.704 8.408 1.00 0.00 C ATOM 987 NE2 HIS A 596 35.644 -1.052 8.853 1.00 0.00 N ATOM 0 H HIS A 596 37.605 -4.487 5.769 1.00 0.00 H new ATOM 0 HA HIS A 596 34.802 -4.393 6.393 1.00 0.00 H new ATOM 0 HB2 HIS A 596 36.725 -2.531 5.011 1.00 0.00 H new ATOM 0 HB3 HIS A 596 35.004 -2.202 5.035 1.00 0.00 H new ATOM 0 HD2 HIS A 596 34.070 -2.305 7.956 1.00 0.00 H new ATOM 0 HE1 HIS A 596 37.566 -0.072 8.942 1.00 0.00 H new ATOM 0 HE2 HIS A 596 35.226 -0.765 9.738 1.00 0.00 H new ATOM 995 N SER A 597 33.684 -4.766 4.078 1.00 0.00 N ATOM 996 CA SER A 597 33.041 -5.104 2.799 1.00 0.00 C ATOM 997 C SER A 597 33.294 -4.041 1.718 1.00 0.00 C ATOM 998 O SER A 597 33.544 -4.390 0.563 1.00 0.00 O ATOM 999 CB SER A 597 31.540 -5.318 3.021 1.00 0.00 C ATOM 1000 OG SER A 597 30.971 -4.190 3.659 1.00 0.00 O ATOM 0 H SER A 597 33.027 -4.682 4.854 1.00 0.00 H new ATOM 0 HA SER A 597 33.487 -6.028 2.431 1.00 0.00 H new ATOM 0 HB2 SER A 597 31.045 -5.491 2.065 1.00 0.00 H new ATOM 0 HB3 SER A 597 31.379 -6.208 3.629 1.00 0.00 H new ATOM 0 HG SER A 597 30.156 -3.923 3.185 1.00 0.00 H new ATOM 1006 N THR A 598 33.313 -2.752 2.086 1.00 0.00 N ATOM 1007 CA THR A 598 33.642 -1.627 1.190 1.00 0.00 C ATOM 1008 C THR A 598 35.124 -1.596 0.802 1.00 0.00 C ATOM 1009 O THR A 598 35.425 -1.560 -0.390 1.00 0.00 O ATOM 1010 CB THR A 598 33.262 -0.275 1.831 1.00 0.00 C ATOM 1011 OG1 THR A 598 33.619 -0.262 3.198 1.00 0.00 O ATOM 1012 CG2 THR A 598 31.762 0.022 1.753 1.00 0.00 C ATOM 0 H THR A 598 33.095 -2.453 3.036 1.00 0.00 H new ATOM 0 HA THR A 598 33.056 -1.784 0.285 1.00 0.00 H new ATOM 0 HB THR A 598 33.804 0.483 1.266 1.00 0.00 H new ATOM 0 HG1 THR A 598 33.374 0.601 3.592 1.00 0.00 H new ATOM 0 HG21 THR A 598 31.557 0.985 2.220 1.00 0.00 H new ATOM 0 HG22 THR A 598 31.451 0.051 0.709 1.00 0.00 H new ATOM 0 HG23 THR A 598 31.209 -0.759 2.275 1.00 0.00 H new ATOM 1020 N CYS A 599 36.051 -1.672 1.768 1.00 0.00 N ATOM 1021 CA CYS A 599 37.493 -1.758 1.523 1.00 0.00 C ATOM 1022 C CYS A 599 37.828 -2.884 0.530 1.00 0.00 C ATOM 1023 O CYS A 599 38.509 -2.658 -0.473 1.00 0.00 O ATOM 1024 CB CYS A 599 38.207 -1.952 2.869 1.00 0.00 C ATOM 1025 SG CYS A 599 38.129 -0.440 3.885 1.00 0.00 S ATOM 0 H CYS A 599 35.812 -1.675 2.760 1.00 0.00 H new ATOM 0 HA CYS A 599 37.842 -0.833 1.063 1.00 0.00 H new ATOM 0 HB2 CYS A 599 37.749 -2.780 3.410 1.00 0.00 H new ATOM 0 HB3 CYS A 599 39.249 -2.222 2.695 1.00 0.00 H new ATOM 0 HG CYS A 599 37.856 -0.758 5.116 1.00 0.00 H new ATOM 1030 N TYR A 600 37.333 -4.098 0.807 1.00 0.00 N ATOM 1031 CA TYR A 600 37.498 -5.253 -0.068 1.00 0.00 C ATOM 1032 C TYR A 600 36.914 -4.994 -1.472 1.00 0.00 C ATOM 1033 O TYR A 600 37.635 -5.145 -2.461 1.00 0.00 O ATOM 1034 CB TYR A 600 36.869 -6.489 0.585 1.00 0.00 C ATOM 1035 CG TYR A 600 36.728 -7.653 -0.380 1.00 0.00 C ATOM 1036 CD1 TYR A 600 37.862 -8.393 -0.761 1.00 0.00 C ATOM 1037 CD2 TYR A 600 35.478 -7.929 -0.969 1.00 0.00 C ATOM 1038 CE1 TYR A 600 37.746 -9.420 -1.721 1.00 0.00 C ATOM 1039 CE2 TYR A 600 35.354 -8.965 -1.916 1.00 0.00 C ATOM 1040 CZ TYR A 600 36.489 -9.713 -2.297 1.00 0.00 C ATOM 1041 OH TYR A 600 36.380 -10.713 -3.214 1.00 0.00 O ATOM 0 H TYR A 600 36.803 -4.301 1.654 1.00 0.00 H new ATOM 0 HA TYR A 600 38.564 -5.434 -0.205 1.00 0.00 H new ATOM 0 HB2 TYR A 600 37.480 -6.797 1.433 1.00 0.00 H new ATOM 0 HB3 TYR A 600 35.887 -6.227 0.978 1.00 0.00 H new ATOM 0 HD1 TYR A 600 38.822 -8.175 -0.318 1.00 0.00 H new ATOM 0 HD2 TYR A 600 34.612 -7.345 -0.694 1.00 0.00 H new ATOM 0 HE1 TYR A 600 38.619 -9.983 -2.016 1.00 0.00 H new ATOM 0 HE2 TYR A 600 34.390 -9.187 -2.350 1.00 0.00 H new ATOM 0 HH TYR A 600 35.449 -10.785 -3.510 1.00 0.00 H new ATOM 1051 N HIS A 601 35.653 -4.554 -1.573 1.00 0.00 N ATOM 1052 CA HIS A 601 34.958 -4.341 -2.857 1.00 0.00 C ATOM 1053 C HIS A 601 35.626 -3.281 -3.742 1.00 0.00 C ATOM 1054 O HIS A 601 35.753 -3.482 -4.951 1.00 0.00 O ATOM 1055 CB HIS A 601 33.490 -3.983 -2.563 1.00 0.00 C ATOM 1056 CG HIS A 601 32.659 -3.701 -3.792 1.00 0.00 C ATOM 1057 ND1 HIS A 601 32.459 -2.443 -4.372 1.00 0.00 N ATOM 1058 CD2 HIS A 601 31.964 -4.632 -4.508 1.00 0.00 C ATOM 1059 CE1 HIS A 601 31.640 -2.649 -5.419 1.00 0.00 C ATOM 1060 NE2 HIS A 601 31.329 -3.953 -5.522 1.00 0.00 N ATOM 0 H HIS A 601 35.078 -4.333 -0.760 1.00 0.00 H new ATOM 0 HA HIS A 601 35.014 -5.266 -3.432 1.00 0.00 H new ATOM 0 HB2 HIS A 601 33.032 -4.803 -2.010 1.00 0.00 H new ATOM 0 HB3 HIS A 601 33.465 -3.108 -1.914 1.00 0.00 H new ATOM 0 HD2 HIS A 601 31.921 -5.694 -4.316 1.00 0.00 H new ATOM 0 HE1 HIS A 601 31.283 -1.876 -6.083 1.00 0.00 H new ATOM 0 HE2 HIS A 601 30.725 -4.368 -6.231 1.00 0.00 H new ATOM 1068 N GLU A 602 36.130 -2.199 -3.147 1.00 0.00 N ATOM 1069 CA GLU A 602 36.879 -1.148 -3.851 1.00 0.00 C ATOM 1070 C GLU A 602 38.286 -1.590 -4.313 1.00 0.00 C ATOM 1071 O GLU A 602 38.868 -0.963 -5.203 1.00 0.00 O ATOM 1072 CB GLU A 602 36.979 0.106 -2.965 1.00 0.00 C ATOM 1073 CG GLU A 602 35.620 0.817 -2.818 1.00 0.00 C ATOM 1074 CD GLU A 602 35.667 2.122 -1.985 1.00 0.00 C ATOM 1075 OE1 GLU A 602 36.721 2.490 -1.406 1.00 0.00 O ATOM 1076 OE2 GLU A 602 34.623 2.819 -1.916 1.00 0.00 O ATOM 0 H GLU A 602 36.030 -2.022 -2.147 1.00 0.00 H new ATOM 0 HA GLU A 602 36.319 -0.925 -4.759 1.00 0.00 H new ATOM 0 HB2 GLU A 602 37.350 -0.175 -1.979 1.00 0.00 H new ATOM 0 HB3 GLU A 602 37.705 0.796 -3.394 1.00 0.00 H new ATOM 0 HG2 GLU A 602 35.235 1.048 -3.811 1.00 0.00 H new ATOM 0 HG3 GLU A 602 34.912 0.130 -2.354 1.00 0.00 H new ATOM 1083 N THR A 603 38.835 -2.668 -3.730 1.00 0.00 N ATOM 1084 CA THR A 603 40.185 -3.185 -4.026 1.00 0.00 C ATOM 1085 C THR A 603 40.146 -4.403 -4.959 1.00 0.00 C ATOM 1086 O THR A 603 40.611 -4.315 -6.097 1.00 0.00 O ATOM 1087 CB THR A 603 40.961 -3.495 -2.732 1.00 0.00 C ATOM 1088 OG1 THR A 603 41.058 -2.336 -1.931 1.00 0.00 O ATOM 1089 CG2 THR A 603 42.391 -3.966 -3.003 1.00 0.00 C ATOM 0 H THR A 603 38.344 -3.217 -3.025 1.00 0.00 H new ATOM 0 HA THR A 603 40.719 -2.396 -4.556 1.00 0.00 H new ATOM 0 HB THR A 603 40.406 -4.289 -2.232 1.00 0.00 H new ATOM 0 HG1 THR A 603 40.260 -2.260 -1.368 1.00 0.00 H new ATOM 0 HG21 THR A 603 42.892 -4.170 -2.057 1.00 0.00 H new ATOM 0 HG22 THR A 603 42.367 -4.875 -3.605 1.00 0.00 H new ATOM 0 HG23 THR A 603 42.934 -3.189 -3.541 1.00 0.00 H new