USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 441 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 564 CYS SG : rot 153:sc= 0.482 USER MOD Set 1.2: A 567 CYS SG : rot -61:sc= -0.122 USER MOD Set 1.3: A 596 HIS : no HD1:sc= 0.441 K(o=0.42,f=-1.3) USER MOD Set 1.4: A 599 CYS SG : rot 146:sc= -0.379 USER MOD Set 2.1: A 586 ASN : amide:sc= 0.802 K(o=1.5,f=-5.1!) USER MOD Set 2.2: A 598 THR OG1 : rot 170:sc= 0.74 USER MOD Single : A 549 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0236) 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 -179:sc= 0.0111 USER MOD Single : A 558 GLN : amide:sc= 0.0175 K(o=0.017,f=-2.9!) USER MOD Single : A 560 MET CE :methyl 160:sc= -0.475 (180deg=-1.46) 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 63:sc= 0.431 USER MOD Single : A 591 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 593 LYS NZ :NH3+ -160:sc= 0.941 (180deg=0.679) 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 83:sc= 0.601 USER MOD ----------------------------------------------------------------- ATOM 184 N ILE A 546 26.419 -1.854 0.088 1.00 0.00 N ATOM 185 CA ILE A 546 27.589 -2.527 0.674 1.00 0.00 C ATOM 186 C ILE A 546 27.543 -2.518 2.220 1.00 0.00 C ATOM 187 O ILE A 546 28.008 -3.469 2.847 1.00 0.00 O ATOM 188 CB ILE A 546 28.900 -1.924 0.105 1.00 0.00 C ATOM 189 CG1 ILE A 546 28.991 -1.941 -1.447 1.00 0.00 C ATOM 190 CG2 ILE A 546 30.125 -2.657 0.670 1.00 0.00 C ATOM 191 CD1 ILE A 546 29.058 -3.326 -2.108 1.00 0.00 C ATOM 0 HA ILE A 546 27.564 -3.578 0.385 1.00 0.00 H new ATOM 0 HB ILE A 546 28.887 -0.880 0.418 1.00 0.00 H new ATOM 0 HG12 ILE A 546 28.126 -1.412 -1.847 1.00 0.00 H new ATOM 0 HG13 ILE A 546 29.875 -1.376 -1.744 1.00 0.00 H new ATOM 0 HG21 ILE A 546 31.034 -2.218 0.258 1.00 0.00 H new ATOM 0 HG22 ILE A 546 30.137 -2.563 1.756 1.00 0.00 H new ATOM 0 HG23 ILE A 546 30.076 -3.711 0.398 1.00 0.00 H new ATOM 0 HD11 ILE A 546 29.119 -3.210 -3.190 1.00 0.00 H new ATOM 0 HD12 ILE A 546 29.939 -3.858 -1.750 1.00 0.00 H new ATOM 0 HD13 ILE A 546 28.163 -3.894 -1.854 1.00 0.00 H new ATOM 203 N ARG A 547 26.904 -1.524 2.862 1.00 0.00 N ATOM 204 CA ARG A 547 26.751 -1.513 4.340 1.00 0.00 C ATOM 205 C ARG A 547 25.675 -2.480 4.852 1.00 0.00 C ATOM 206 O ARG A 547 25.657 -2.811 6.036 1.00 0.00 O ATOM 207 CB ARG A 547 26.681 -0.078 4.919 1.00 0.00 C ATOM 208 CG ARG A 547 25.353 0.400 5.533 1.00 0.00 C ATOM 209 CD ARG A 547 24.180 0.537 4.557 1.00 0.00 C ATOM 210 NE ARG A 547 22.977 1.015 5.270 1.00 0.00 N ATOM 211 CZ ARG A 547 21.714 0.821 4.944 1.00 0.00 C ATOM 212 NH1 ARG A 547 21.353 0.197 3.862 1.00 0.00 N ATOM 213 NH2 ARG A 547 20.763 1.263 5.716 1.00 0.00 N ATOM 0 H ARG A 547 26.486 -0.721 2.391 1.00 0.00 H new ATOM 0 HA ARG A 547 27.672 -1.926 4.751 1.00 0.00 H new ATOM 0 HB2 ARG A 547 27.451 0.009 5.685 1.00 0.00 H new ATOM 0 HB3 ARG A 547 26.946 0.615 4.121 1.00 0.00 H new ATOM 0 HG2 ARG A 547 25.067 -0.297 6.321 1.00 0.00 H new ATOM 0 HG3 ARG A 547 25.521 1.366 6.008 1.00 0.00 H new ATOM 0 HD2 ARG A 547 24.440 1.233 3.760 1.00 0.00 H new ATOM 0 HD3 ARG A 547 23.975 -0.424 4.086 1.00 0.00 H new ATOM 0 HE ARG A 547 23.144 1.560 6.116 1.00 0.00 H new ATOM 0 HH11 ARG A 547 22.060 -0.167 3.223 1.00 0.00 H new ATOM 0 HH12 ARG A 547 20.363 0.071 3.652 1.00 0.00 H new ATOM 0 HH21 ARG A 547 20.994 1.761 6.576 1.00 0.00 H new ATOM 0 HH22 ARG A 547 19.787 1.111 5.461 1.00 0.00 H new ATOM 227 N GLY A 548 24.824 -2.987 3.952 1.00 0.00 N ATOM 228 CA GLY A 548 23.862 -4.062 4.223 1.00 0.00 C ATOM 229 C GLY A 548 24.510 -5.440 4.429 1.00 0.00 C ATOM 230 O GLY A 548 23.846 -6.352 4.919 1.00 0.00 O ATOM 0 H GLY A 548 24.784 -2.652 2.989 1.00 0.00 H new ATOM 0 HA2 GLY A 548 23.286 -3.805 5.112 1.00 0.00 H new ATOM 0 HA3 GLY A 548 23.157 -4.123 3.394 1.00 0.00 H new ATOM 234 N LYS A 549 25.798 -5.604 4.094 1.00 0.00 N ATOM 235 CA LYS A 549 26.601 -6.803 4.402 1.00 0.00 C ATOM 236 C LYS A 549 26.984 -6.822 5.888 1.00 0.00 C ATOM 237 O LYS A 549 27.552 -5.852 6.391 1.00 0.00 O ATOM 238 CB LYS A 549 27.869 -6.859 3.525 1.00 0.00 C ATOM 239 CG LYS A 549 27.650 -6.699 2.015 1.00 0.00 C ATOM 240 CD LYS A 549 26.662 -7.703 1.403 1.00 0.00 C ATOM 241 CE LYS A 549 26.490 -7.469 -0.105 1.00 0.00 C ATOM 242 NZ LYS A 549 27.706 -7.841 -0.874 1.00 0.00 N ATOM 0 H LYS A 549 26.325 -4.892 3.589 1.00 0.00 H new ATOM 0 HA LYS A 549 25.995 -7.682 4.182 1.00 0.00 H new ATOM 0 HB2 LYS A 549 28.552 -6.077 3.858 1.00 0.00 H new ATOM 0 HB3 LYS A 549 28.367 -7.813 3.701 1.00 0.00 H new ATOM 0 HG2 LYS A 549 27.290 -5.689 1.818 1.00 0.00 H new ATOM 0 HG3 LYS A 549 28.610 -6.800 1.509 1.00 0.00 H new ATOM 0 HD2 LYS A 549 27.018 -8.719 1.577 1.00 0.00 H new ATOM 0 HD3 LYS A 549 25.696 -7.614 1.899 1.00 0.00 H new ATOM 0 HE2 LYS A 549 25.642 -8.050 -0.467 1.00 0.00 H new ATOM 0 HE3 LYS A 549 26.256 -6.419 -0.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 549 27.510 -7.763 -1.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 549 28.486 -7.201 -0.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 549 27.974 -8.820 -0.647 1.00 0.00 H new ATOM 256 N TYR A 550 26.706 -7.924 6.578 1.00 0.00 N ATOM 257 CA TYR A 550 27.126 -8.147 7.965 1.00 0.00 C ATOM 258 C TYR A 550 27.361 -9.627 8.281 1.00 0.00 C ATOM 259 O TYR A 550 26.905 -10.513 7.558 1.00 0.00 O ATOM 260 CB TYR A 550 26.129 -7.528 8.968 1.00 0.00 C ATOM 261 CG TYR A 550 24.696 -8.029 8.862 1.00 0.00 C ATOM 262 CD1 TYR A 550 23.744 -7.278 8.142 1.00 0.00 C ATOM 263 CD2 TYR A 550 24.317 -9.224 9.498 1.00 0.00 C ATOM 264 CE1 TYR A 550 22.418 -7.746 8.029 1.00 0.00 C ATOM 265 CE2 TYR A 550 22.996 -9.694 9.389 1.00 0.00 C ATOM 266 CZ TYR A 550 22.045 -8.958 8.651 1.00 0.00 C ATOM 267 OH TYR A 550 20.764 -9.418 8.533 1.00 0.00 O ATOM 0 H TYR A 550 26.174 -8.702 6.187 1.00 0.00 H new ATOM 0 HA TYR A 550 28.084 -7.639 8.076 1.00 0.00 H new ATOM 0 HB2 TYR A 550 26.489 -7.722 9.978 1.00 0.00 H new ATOM 0 HB3 TYR A 550 26.128 -6.447 8.832 1.00 0.00 H new ATOM 0 HD1 TYR A 550 24.030 -6.346 7.678 1.00 0.00 H new ATOM 0 HD2 TYR A 550 25.042 -9.782 10.072 1.00 0.00 H new ATOM 0 HE1 TYR A 550 21.690 -7.179 7.468 1.00 0.00 H new ATOM 0 HE2 TYR A 550 22.710 -10.618 9.870 1.00 0.00 H new ATOM 0 HH TYR A 550 20.674 -10.264 9.019 1.00 0.00 H new ATOM 277 N VAL A 551 28.048 -9.871 9.399 1.00 0.00 N ATOM 278 CA VAL A 551 28.312 -11.195 9.984 1.00 0.00 C ATOM 279 C VAL A 551 28.042 -11.155 11.493 1.00 0.00 C ATOM 280 O VAL A 551 28.432 -10.209 12.171 1.00 0.00 O ATOM 281 CB VAL A 551 29.741 -11.693 9.644 1.00 0.00 C ATOM 282 CG1 VAL A 551 29.745 -12.374 8.273 1.00 0.00 C ATOM 283 CG2 VAL A 551 30.838 -10.622 9.594 1.00 0.00 C ATOM 0 H VAL A 551 28.457 -9.117 9.951 1.00 0.00 H new ATOM 0 HA VAL A 551 27.631 -11.923 9.542 1.00 0.00 H new ATOM 0 HB VAL A 551 29.978 -12.363 10.471 1.00 0.00 H new ATOM 0 HG11 VAL A 551 30.752 -12.721 8.042 1.00 0.00 H new ATOM 0 HG12 VAL A 551 29.063 -13.224 8.287 1.00 0.00 H new ATOM 0 HG13 VAL A 551 29.423 -11.663 7.513 1.00 0.00 H new ATOM 0 HG21 VAL A 551 31.792 -11.089 9.348 1.00 0.00 H new ATOM 0 HG22 VAL A 551 30.589 -9.882 8.834 1.00 0.00 H new ATOM 0 HG23 VAL A 551 30.914 -10.133 10.565 1.00 0.00 H new ATOM 293 N VAL A 552 27.317 -12.146 12.017 1.00 0.00 N ATOM 294 CA VAL A 552 26.916 -12.208 13.438 1.00 0.00 C ATOM 295 C VAL A 552 28.138 -12.412 14.341 1.00 0.00 C ATOM 296 O VAL A 552 28.981 -13.270 14.061 1.00 0.00 O ATOM 297 CB VAL A 552 25.835 -13.299 13.661 1.00 0.00 C ATOM 298 CG1 VAL A 552 25.546 -13.618 15.133 1.00 0.00 C ATOM 299 CG2 VAL A 552 24.507 -12.882 13.011 1.00 0.00 C ATOM 0 H VAL A 552 26.985 -12.939 11.468 1.00 0.00 H new ATOM 0 HA VAL A 552 26.469 -11.253 13.713 1.00 0.00 H new ATOM 0 HB VAL A 552 26.252 -14.195 13.201 1.00 0.00 H new ATOM 0 HG11 VAL A 552 24.779 -14.390 15.194 1.00 0.00 H new ATOM 0 HG12 VAL A 552 26.457 -13.973 15.614 1.00 0.00 H new ATOM 0 HG13 VAL A 552 25.196 -12.718 15.638 1.00 0.00 H new ATOM 0 HG21 VAL A 552 23.761 -13.659 13.177 1.00 0.00 H new ATOM 0 HG22 VAL A 552 24.163 -11.947 13.454 1.00 0.00 H new ATOM 0 HG23 VAL A 552 24.654 -12.743 11.940 1.00 0.00 H new ATOM 309 N VAL A 553 28.220 -11.660 15.446 1.00 0.00 N ATOM 310 CA VAL A 553 29.230 -11.861 16.500 1.00 0.00 C ATOM 311 C VAL A 553 28.849 -13.110 17.309 1.00 0.00 C ATOM 312 O VAL A 553 27.794 -13.105 17.956 1.00 0.00 O ATOM 313 CB VAL A 553 29.357 -10.655 17.462 1.00 0.00 C ATOM 314 CG1 VAL A 553 30.577 -10.872 18.365 1.00 0.00 C ATOM 315 CG2 VAL A 553 29.532 -9.299 16.779 1.00 0.00 C ATOM 0 H VAL A 553 27.583 -10.887 15.638 1.00 0.00 H new ATOM 0 HA VAL A 553 30.196 -11.977 16.009 1.00 0.00 H new ATOM 0 HB VAL A 553 28.414 -10.617 18.008 1.00 0.00 H new ATOM 0 HG11 VAL A 553 30.678 -10.029 19.048 1.00 0.00 H new ATOM 0 HG12 VAL A 553 30.447 -11.790 18.938 1.00 0.00 H new ATOM 0 HG13 VAL A 553 31.474 -10.952 17.751 1.00 0.00 H new ATOM 0 HG21 VAL A 553 29.612 -8.518 17.535 1.00 0.00 H new ATOM 0 HG22 VAL A 553 30.438 -9.311 16.173 1.00 0.00 H new ATOM 0 HG23 VAL A 553 28.671 -9.099 16.141 1.00 0.00 H new ATOM 325 N PRO A 554 29.651 -14.187 17.315 1.00 0.00 N ATOM 326 CA PRO A 554 29.389 -15.361 18.139 1.00 0.00 C ATOM 327 C PRO A 554 29.769 -15.110 19.603 1.00 0.00 C ATOM 328 O PRO A 554 30.717 -14.381 19.887 1.00 0.00 O ATOM 329 CB PRO A 554 30.220 -16.474 17.503 1.00 0.00 C ATOM 330 CG PRO A 554 31.459 -15.728 17.002 1.00 0.00 C ATOM 331 CD PRO A 554 30.905 -14.363 16.584 1.00 0.00 C ATOM 0 HA PRO A 554 28.331 -15.623 18.168 1.00 0.00 H new ATOM 0 HB2 PRO A 554 30.479 -17.249 18.225 1.00 0.00 H new ATOM 0 HB3 PRO A 554 29.685 -16.963 16.689 1.00 0.00 H new ATOM 0 HG2 PRO A 554 32.214 -15.634 17.782 1.00 0.00 H new ATOM 0 HG3 PRO A 554 31.928 -16.245 16.165 1.00 0.00 H new ATOM 0 HD2 PRO A 554 31.610 -13.567 16.824 1.00 0.00 H new ATOM 0 HD3 PRO A 554 30.736 -14.325 15.508 1.00 0.00 H new ATOM 339 N GLU A 555 29.098 -15.776 20.545 1.00 0.00 N ATOM 340 CA GLU A 555 29.445 -15.697 21.978 1.00 0.00 C ATOM 341 C GLU A 555 30.861 -16.237 22.286 1.00 0.00 C ATOM 342 O GLU A 555 31.501 -15.834 23.260 1.00 0.00 O ATOM 343 CB GLU A 555 28.358 -16.409 22.799 1.00 0.00 C ATOM 344 CG GLU A 555 28.543 -16.251 24.316 1.00 0.00 C ATOM 345 CD GLU A 555 27.276 -16.612 25.123 1.00 0.00 C ATOM 346 OE1 GLU A 555 26.599 -17.618 24.803 1.00 0.00 O ATOM 347 OE2 GLU A 555 26.960 -15.910 26.112 1.00 0.00 O ATOM 0 H GLU A 555 28.303 -16.383 20.345 1.00 0.00 H new ATOM 0 HA GLU A 555 29.477 -14.646 22.266 1.00 0.00 H new ATOM 0 HB2 GLU A 555 27.382 -16.015 22.516 1.00 0.00 H new ATOM 0 HB3 GLU A 555 28.359 -17.470 22.548 1.00 0.00 H new ATOM 0 HG2 GLU A 555 29.367 -16.885 24.643 1.00 0.00 H new ATOM 0 HG3 GLU A 555 28.825 -15.221 24.536 1.00 0.00 H new ATOM 354 N THR A 556 31.392 -17.091 21.403 1.00 0.00 N ATOM 355 CA THR A 556 32.783 -17.581 21.420 1.00 0.00 C ATOM 356 C THR A 556 33.830 -16.469 21.193 1.00 0.00 C ATOM 357 O THR A 556 34.956 -16.565 21.692 1.00 0.00 O ATOM 358 CB THR A 556 32.946 -18.676 20.356 1.00 0.00 C ATOM 359 OG1 THR A 556 31.928 -19.656 20.459 1.00 0.00 O ATOM 360 CG2 THR A 556 34.283 -19.424 20.408 1.00 0.00 C ATOM 0 H THR A 556 30.850 -17.475 20.629 1.00 0.00 H new ATOM 0 HA THR A 556 32.969 -17.979 22.418 1.00 0.00 H new ATOM 0 HB THR A 556 32.890 -18.127 19.416 1.00 0.00 H new ATOM 0 HG1 THR A 556 32.059 -20.338 19.767 1.00 0.00 H new ATOM 0 HG21 THR A 556 34.309 -20.178 19.621 1.00 0.00 H new ATOM 0 HG22 THR A 556 35.101 -18.718 20.262 1.00 0.00 H new ATOM 0 HG23 THR A 556 34.391 -19.909 21.378 1.00 0.00 H new ATOM 368 N SER A 557 33.477 -15.397 20.468 1.00 0.00 N ATOM 369 CA SER A 557 34.374 -14.266 20.184 1.00 0.00 C ATOM 370 C SER A 557 34.502 -13.312 21.382 1.00 0.00 C ATOM 371 O SER A 557 33.502 -12.797 21.894 1.00 0.00 O ATOM 372 CB SER A 557 33.892 -13.481 18.950 1.00 0.00 C ATOM 373 OG SER A 557 34.762 -12.403 18.649 1.00 0.00 O ATOM 0 H SER A 557 32.550 -15.290 20.057 1.00 0.00 H new ATOM 0 HA SER A 557 35.358 -14.690 19.983 1.00 0.00 H new ATOM 0 HB2 SER A 557 33.830 -14.151 18.092 1.00 0.00 H new ATOM 0 HB3 SER A 557 32.887 -13.100 19.130 1.00 0.00 H new ATOM 0 HG SER A 557 34.422 -11.916 17.870 1.00 0.00 H new ATOM 379 N GLN A 558 35.738 -13.044 21.813 1.00 0.00 N ATOM 380 CA GLN A 558 36.065 -12.007 22.800 1.00 0.00 C ATOM 381 C GLN A 558 36.143 -10.605 22.157 1.00 0.00 C ATOM 382 O GLN A 558 36.440 -10.464 20.971 1.00 0.00 O ATOM 383 CB GLN A 558 37.308 -12.402 23.608 1.00 0.00 C ATOM 384 CG GLN A 558 38.583 -12.440 22.769 1.00 0.00 C ATOM 385 CD GLN A 558 38.814 -13.791 22.093 1.00 0.00 C ATOM 386 OE1 GLN A 558 38.356 -14.044 20.987 1.00 0.00 O ATOM 387 NE2 GLN A 558 39.522 -14.708 22.723 1.00 0.00 N ATOM 0 H GLN A 558 36.557 -13.552 21.479 1.00 0.00 H new ATOM 0 HA GLN A 558 35.249 -11.936 23.519 1.00 0.00 H new ATOM 0 HB2 GLN A 558 37.441 -11.695 24.427 1.00 0.00 H new ATOM 0 HB3 GLN A 558 37.146 -13.382 24.056 1.00 0.00 H new ATOM 0 HG2 GLN A 558 38.533 -11.663 22.007 1.00 0.00 H new ATOM 0 HG3 GLN A 558 39.437 -12.208 23.405 1.00 0.00 H new ATOM 0 HE21 GLN A 558 39.909 -14.509 23.645 1.00 0.00 H new ATOM 0 HE22 GLN A 558 39.683 -15.616 22.288 1.00 0.00 H new ATOM 396 N ASP A 559 35.872 -9.566 22.951 1.00 0.00 N ATOM 397 CA ASP A 559 35.936 -8.130 22.611 1.00 0.00 C ATOM 398 C ASP A 559 35.014 -7.626 21.473 1.00 0.00 C ATOM 399 O ASP A 559 34.840 -6.411 21.335 1.00 0.00 O ATOM 400 CB ASP A 559 37.400 -7.683 22.397 1.00 0.00 C ATOM 401 CG ASP A 559 38.362 -8.003 23.566 1.00 0.00 C ATOM 402 OD1 ASP A 559 39.581 -8.120 23.303 1.00 0.00 O ATOM 403 OD2 ASP A 559 37.933 -8.098 24.743 1.00 0.00 O ATOM 0 H ASP A 559 35.581 -9.709 23.918 1.00 0.00 H new ATOM 0 HA ASP A 559 35.514 -7.641 23.489 1.00 0.00 H new ATOM 0 HB2 ASP A 559 37.780 -8.159 21.493 1.00 0.00 H new ATOM 0 HB3 ASP A 559 37.413 -6.607 22.220 1.00 0.00 H new ATOM 408 N MET A 560 34.389 -8.516 20.691 1.00 0.00 N ATOM 409 CA MET A 560 33.379 -8.209 19.659 1.00 0.00 C ATOM 410 C MET A 560 33.866 -7.229 18.568 1.00 0.00 C ATOM 411 O MET A 560 33.087 -6.437 18.037 1.00 0.00 O ATOM 412 CB MET A 560 32.040 -7.775 20.301 1.00 0.00 C ATOM 413 CG MET A 560 31.601 -8.708 21.440 1.00 0.00 C ATOM 414 SD MET A 560 30.022 -8.299 22.235 1.00 0.00 S ATOM 415 CE MET A 560 28.857 -9.054 21.073 1.00 0.00 C ATOM 0 H MET A 560 34.579 -9.516 20.760 1.00 0.00 H new ATOM 0 HA MET A 560 33.203 -9.141 19.121 1.00 0.00 H new ATOM 0 HB2 MET A 560 32.138 -6.760 20.685 1.00 0.00 H new ATOM 0 HB3 MET A 560 31.265 -7.753 19.535 1.00 0.00 H new ATOM 0 HG2 MET A 560 31.536 -9.723 21.048 1.00 0.00 H new ATOM 0 HG3 MET A 560 32.380 -8.710 22.203 1.00 0.00 H new ATOM 0 HE1 MET A 560 27.898 -9.209 21.568 1.00 0.00 H new ATOM 0 HE2 MET A 560 28.720 -8.395 20.215 1.00 0.00 H new ATOM 0 HE3 MET A 560 29.250 -10.013 20.735 1.00 0.00 H new ATOM 425 N ALA A 561 35.156 -7.273 18.227 1.00 0.00 N ATOM 426 CA ALA A 561 35.824 -6.307 17.344 1.00 0.00 C ATOM 427 C ALA A 561 37.012 -6.920 16.579 1.00 0.00 C ATOM 428 O ALA A 561 37.635 -7.876 17.056 1.00 0.00 O ATOM 429 CB ALA A 561 36.289 -5.132 18.217 1.00 0.00 C ATOM 0 H ALA A 561 35.785 -8.001 18.566 1.00 0.00 H new ATOM 0 HA ALA A 561 35.120 -5.977 16.580 1.00 0.00 H new ATOM 0 HB1 ALA A 561 36.791 -4.392 17.594 1.00 0.00 H new ATOM 0 HB2 ALA A 561 35.426 -4.674 18.700 1.00 0.00 H new ATOM 0 HB3 ALA A 561 36.980 -5.495 18.978 1.00 0.00 H new ATOM 435 N PHE A 562 37.372 -6.341 15.423 1.00 0.00 N ATOM 436 CA PHE A 562 38.573 -6.744 14.682 1.00 0.00 C ATOM 437 C PHE A 562 39.160 -5.609 13.818 1.00 0.00 C ATOM 438 O PHE A 562 38.447 -4.689 13.410 1.00 0.00 O ATOM 439 CB PHE A 562 38.306 -8.003 13.834 1.00 0.00 C ATOM 440 CG PHE A 562 39.542 -8.857 13.643 1.00 0.00 C ATOM 441 CD1 PHE A 562 40.360 -8.688 12.511 1.00 0.00 C ATOM 442 CD2 PHE A 562 39.894 -9.818 14.615 1.00 0.00 C ATOM 443 CE1 PHE A 562 41.515 -9.469 12.345 1.00 0.00 C ATOM 444 CE2 PHE A 562 41.047 -10.607 14.442 1.00 0.00 C ATOM 445 CZ PHE A 562 41.861 -10.433 13.307 1.00 0.00 C ATOM 0 H PHE A 562 36.844 -5.589 14.981 1.00 0.00 H new ATOM 0 HA PHE A 562 39.328 -6.983 15.430 1.00 0.00 H new ATOM 0 HB2 PHE A 562 37.529 -8.599 14.312 1.00 0.00 H new ATOM 0 HB3 PHE A 562 37.923 -7.704 12.858 1.00 0.00 H new ATOM 0 HD1 PHE A 562 40.098 -7.953 11.765 1.00 0.00 H new ATOM 0 HD2 PHE A 562 39.278 -9.948 15.493 1.00 0.00 H new ATOM 0 HE1 PHE A 562 42.139 -9.328 11.475 1.00 0.00 H new ATOM 0 HE2 PHE A 562 41.308 -11.348 15.183 1.00 0.00 H new ATOM 0 HZ PHE A 562 42.747 -11.037 13.176 1.00 0.00 H new ATOM 455 N LYS A 563 40.465 -5.664 13.535 1.00 0.00 N ATOM 456 CA LYS A 563 41.206 -4.656 12.762 1.00 0.00 C ATOM 457 C LYS A 563 40.981 -4.769 11.246 1.00 0.00 C ATOM 458 O LYS A 563 40.952 -5.875 10.708 1.00 0.00 O ATOM 459 CB LYS A 563 42.708 -4.797 13.103 1.00 0.00 C ATOM 460 CG LYS A 563 43.554 -3.542 12.839 1.00 0.00 C ATOM 461 CD LYS A 563 43.393 -2.504 13.963 1.00 0.00 C ATOM 462 CE LYS A 563 43.998 -1.140 13.592 1.00 0.00 C ATOM 463 NZ LYS A 563 45.479 -1.178 13.506 1.00 0.00 N ATOM 0 H LYS A 563 41.056 -6.435 13.846 1.00 0.00 H new ATOM 0 HA LYS A 563 40.834 -3.670 13.041 1.00 0.00 H new ATOM 0 HB2 LYS A 563 42.803 -5.066 14.155 1.00 0.00 H new ATOM 0 HB3 LYS A 563 43.121 -5.623 12.524 1.00 0.00 H new ATOM 0 HG2 LYS A 563 44.604 -3.822 12.749 1.00 0.00 H new ATOM 0 HG3 LYS A 563 43.260 -3.098 11.888 1.00 0.00 H new ATOM 0 HD2 LYS A 563 42.334 -2.379 14.190 1.00 0.00 H new ATOM 0 HD3 LYS A 563 43.871 -2.876 14.869 1.00 0.00 H new ATOM 0 HE2 LYS A 563 43.590 -0.814 12.635 1.00 0.00 H new ATOM 0 HE3 LYS A 563 43.700 -0.400 14.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 563 45.836 -0.235 13.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 563 45.873 -1.463 14.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 563 45.767 -1.863 12.779 1.00 0.00 H new ATOM 477 N CYS A 564 40.895 -3.632 10.557 1.00 0.00 N ATOM 478 CA CYS A 564 40.938 -3.526 9.109 1.00 0.00 C ATOM 479 C CYS A 564 42.385 -3.236 8.671 1.00 0.00 C ATOM 480 O CYS A 564 42.821 -2.097 8.874 1.00 0.00 O ATOM 481 CB CYS A 564 40.007 -2.403 8.617 1.00 0.00 C ATOM 482 SG CYS A 564 39.801 -2.584 6.807 1.00 0.00 S ATOM 0 H CYS A 564 40.789 -2.727 11.015 1.00 0.00 H new ATOM 0 HA CYS A 564 40.598 -4.465 8.672 1.00 0.00 H new ATOM 0 HB2 CYS A 564 39.041 -2.464 9.118 1.00 0.00 H new ATOM 0 HB3 CYS A 564 40.429 -1.427 8.856 1.00 0.00 H new ATOM 0 HG CYS A 564 38.657 -2.081 6.448 1.00 0.00 H new ATOM 487 N PRO A 565 43.128 -4.190 8.072 1.00 0.00 N ATOM 488 CA PRO A 565 44.474 -3.924 7.563 1.00 0.00 C ATOM 489 C PRO A 565 44.497 -2.967 6.354 1.00 0.00 C ATOM 490 O PRO A 565 45.535 -2.369 6.073 1.00 0.00 O ATOM 491 CB PRO A 565 45.039 -5.305 7.190 1.00 0.00 C ATOM 492 CG PRO A 565 43.789 -6.117 6.855 1.00 0.00 C ATOM 493 CD PRO A 565 42.769 -5.590 7.865 1.00 0.00 C ATOM 0 HA PRO A 565 45.072 -3.413 8.318 1.00 0.00 H new ATOM 0 HB2 PRO A 565 45.719 -5.245 6.341 1.00 0.00 H new ATOM 0 HB3 PRO A 565 45.597 -5.748 8.015 1.00 0.00 H new ATOM 0 HG2 PRO A 565 43.463 -5.955 5.828 1.00 0.00 H new ATOM 0 HG3 PRO A 565 43.958 -7.188 6.970 1.00 0.00 H new ATOM 0 HD2 PRO A 565 41.752 -5.684 7.484 1.00 0.00 H new ATOM 0 HD3 PRO A 565 42.813 -6.151 8.799 1.00 0.00 H new ATOM 501 N ILE A 566 43.369 -2.799 5.651 1.00 0.00 N ATOM 502 CA ILE A 566 43.263 -1.978 4.434 1.00 0.00 C ATOM 503 C ILE A 566 43.304 -0.480 4.770 1.00 0.00 C ATOM 504 O ILE A 566 44.172 0.239 4.269 1.00 0.00 O ATOM 505 CB ILE A 566 41.994 -2.344 3.626 1.00 0.00 C ATOM 506 CG1 ILE A 566 42.030 -3.827 3.180 1.00 0.00 C ATOM 507 CG2 ILE A 566 41.849 -1.410 2.407 1.00 0.00 C ATOM 508 CD1 ILE A 566 40.714 -4.349 2.584 1.00 0.00 C ATOM 0 H ILE A 566 42.487 -3.238 5.916 1.00 0.00 H new ATOM 0 HA ILE A 566 44.127 -2.195 3.806 1.00 0.00 H new ATOM 0 HB ILE A 566 41.126 -2.210 4.271 1.00 0.00 H new ATOM 0 HG12 ILE A 566 42.822 -3.951 2.442 1.00 0.00 H new ATOM 0 HG13 ILE A 566 42.295 -4.444 4.038 1.00 0.00 H new ATOM 0 HG21 ILE A 566 40.953 -1.678 1.848 1.00 0.00 H new ATOM 0 HG22 ILE A 566 41.769 -0.378 2.747 1.00 0.00 H new ATOM 0 HG23 ILE A 566 42.723 -1.513 1.764 1.00 0.00 H new ATOM 0 HD11 ILE A 566 40.833 -5.395 2.300 1.00 0.00 H new ATOM 0 HD12 ILE A 566 39.919 -4.262 3.325 1.00 0.00 H new ATOM 0 HD13 ILE A 566 40.455 -3.761 1.703 1.00 0.00 H new ATOM 520 N CYS A 567 42.388 -0.005 5.628 1.00 0.00 N ATOM 521 CA CYS A 567 42.303 1.396 6.063 1.00 0.00 C ATOM 522 C CYS A 567 42.924 1.656 7.458 1.00 0.00 C ATOM 523 O CYS A 567 42.957 2.798 7.924 1.00 0.00 O ATOM 524 CB CYS A 567 40.853 1.891 5.913 1.00 0.00 C ATOM 525 SG CYS A 567 39.743 1.227 7.193 1.00 0.00 S ATOM 0 H CYS A 567 41.671 -0.597 6.047 1.00 0.00 H new ATOM 0 HA CYS A 567 42.930 1.998 5.405 1.00 0.00 H new ATOM 0 HB2 CYS A 567 40.840 2.980 5.957 1.00 0.00 H new ATOM 0 HB3 CYS A 567 40.477 1.607 4.930 1.00 0.00 H new ATOM 0 HG CYS A 567 39.717 -0.070 7.114 1.00 0.00 H new ATOM 530 N LYS A 568 43.462 0.605 8.096 1.00 0.00 N ATOM 531 CA LYS A 568 44.095 0.609 9.429 1.00 0.00 C ATOM 532 C LYS A 568 43.126 1.075 10.529 1.00 0.00 C ATOM 533 O LYS A 568 43.499 1.851 11.411 1.00 0.00 O ATOM 534 CB LYS A 568 45.461 1.328 9.411 1.00 0.00 C ATOM 535 CG LYS A 568 46.525 0.674 8.506 1.00 0.00 C ATOM 536 CD LYS A 568 46.446 1.075 7.021 1.00 0.00 C ATOM 537 CE LYS A 568 47.554 0.444 6.166 1.00 0.00 C ATOM 538 NZ LYS A 568 48.897 1.017 6.439 1.00 0.00 N ATOM 0 H LYS A 568 43.469 -0.324 7.674 1.00 0.00 H new ATOM 0 HA LYS A 568 44.329 -0.421 9.698 1.00 0.00 H new ATOM 0 HB2 LYS A 568 45.310 2.357 9.085 1.00 0.00 H new ATOM 0 HB3 LYS A 568 45.847 1.370 10.430 1.00 0.00 H new ATOM 0 HG2 LYS A 568 47.513 0.933 8.886 1.00 0.00 H new ATOM 0 HG3 LYS A 568 46.429 -0.409 8.581 1.00 0.00 H new ATOM 0 HD2 LYS A 568 45.475 0.780 6.622 1.00 0.00 H new ATOM 0 HD3 LYS A 568 46.507 2.160 6.940 1.00 0.00 H new ATOM 0 HE2 LYS A 568 47.579 -0.630 6.350 1.00 0.00 H new ATOM 0 HE3 LYS A 568 47.314 0.581 5.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 49.603 0.552 5.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 48.886 2.037 6.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 49.144 0.863 7.438 1.00 0.00 H new ATOM 552 N GLU A 569 41.884 0.575 10.500 1.00 0.00 N ATOM 553 CA GLU A 569 40.833 0.920 11.488 1.00 0.00 C ATOM 554 C GLU A 569 40.404 -0.295 12.326 1.00 0.00 C ATOM 555 O GLU A 569 40.986 -1.366 12.188 1.00 0.00 O ATOM 556 CB GLU A 569 39.639 1.558 10.756 1.00 0.00 C ATOM 557 CG GLU A 569 39.907 2.979 10.226 1.00 0.00 C ATOM 558 CD GLU A 569 40.192 4.027 11.322 1.00 0.00 C ATOM 559 OE1 GLU A 569 40.862 5.046 11.023 1.00 0.00 O ATOM 560 OE2 GLU A 569 39.731 3.873 12.481 1.00 0.00 O ATOM 0 H GLU A 569 41.570 -0.085 9.789 1.00 0.00 H new ATOM 0 HA GLU A 569 41.243 1.641 12.195 1.00 0.00 H new ATOM 0 HB2 GLU A 569 39.356 0.918 9.920 1.00 0.00 H new ATOM 0 HB3 GLU A 569 38.787 1.591 11.435 1.00 0.00 H new ATOM 0 HG2 GLU A 569 40.757 2.945 9.544 1.00 0.00 H new ATOM 0 HG3 GLU A 569 39.045 3.305 9.645 1.00 0.00 H new ATOM 567 N THR A 570 39.396 -0.150 13.192 1.00 0.00 N ATOM 568 CA THR A 570 38.768 -1.263 13.938 1.00 0.00 C ATOM 569 C THR A 570 37.258 -1.277 13.711 1.00 0.00 C ATOM 570 O THR A 570 36.606 -0.250 13.895 1.00 0.00 O ATOM 571 CB THR A 570 39.076 -1.171 15.444 1.00 0.00 C ATOM 572 OG1 THR A 570 40.473 -1.137 15.657 1.00 0.00 O ATOM 573 CG2 THR A 570 38.541 -2.362 16.246 1.00 0.00 C ATOM 0 H THR A 570 38.981 0.757 13.403 1.00 0.00 H new ATOM 0 HA THR A 570 39.191 -2.194 13.561 1.00 0.00 H new ATOM 0 HB THR A 570 38.584 -0.260 15.785 1.00 0.00 H new ATOM 0 HG1 THR A 570 40.656 -1.077 16.618 1.00 0.00 H new ATOM 0 HG21 THR A 570 38.792 -2.234 17.299 1.00 0.00 H new ATOM 0 HG22 THR A 570 37.458 -2.418 16.136 1.00 0.00 H new ATOM 0 HG23 THR A 570 38.992 -3.282 15.875 1.00 0.00 H new ATOM 581 N VAL A 571 36.684 -2.419 13.328 1.00 0.00 N ATOM 582 CA VAL A 571 35.229 -2.640 13.272 1.00 0.00 C ATOM 583 C VAL A 571 34.712 -3.226 14.584 1.00 0.00 C ATOM 584 O VAL A 571 35.424 -3.984 15.242 1.00 0.00 O ATOM 585 CB VAL A 571 34.848 -3.487 12.041 1.00 0.00 C ATOM 586 CG1 VAL A 571 35.018 -4.988 12.241 1.00 0.00 C ATOM 587 CG2 VAL A 571 33.406 -3.201 11.606 1.00 0.00 C ATOM 0 H VAL A 571 37.224 -3.235 13.041 1.00 0.00 H new ATOM 0 HA VAL A 571 34.734 -1.677 13.150 1.00 0.00 H new ATOM 0 HB VAL A 571 35.549 -3.187 11.263 1.00 0.00 H new ATOM 0 HG11 VAL A 571 34.729 -5.512 11.330 1.00 0.00 H new ATOM 0 HG12 VAL A 571 36.060 -5.209 12.471 1.00 0.00 H new ATOM 0 HG13 VAL A 571 34.386 -5.319 13.065 1.00 0.00 H new ATOM 0 HG21 VAL A 571 33.161 -3.810 10.736 1.00 0.00 H new ATOM 0 HG22 VAL A 571 32.725 -3.443 12.422 1.00 0.00 H new ATOM 0 HG23 VAL A 571 33.306 -2.146 11.350 1.00 0.00 H new ATOM 597 N THR A 572 33.484 -2.887 14.975 1.00 0.00 N ATOM 598 CA THR A 572 32.867 -3.282 16.262 1.00 0.00 C ATOM 599 C THR A 572 31.441 -3.803 16.071 1.00 0.00 C ATOM 600 O THR A 572 30.712 -3.345 15.188 1.00 0.00 O ATOM 601 CB THR A 572 32.867 -2.106 17.259 1.00 0.00 C ATOM 602 OG1 THR A 572 32.196 -0.976 16.723 1.00 0.00 O ATOM 603 CG2 THR A 572 34.282 -1.654 17.636 1.00 0.00 C ATOM 0 H THR A 572 32.867 -2.316 14.398 1.00 0.00 H new ATOM 0 HA THR A 572 33.472 -4.091 16.670 1.00 0.00 H new ATOM 0 HB THR A 572 32.354 -2.480 18.145 1.00 0.00 H new ATOM 0 HG1 THR A 572 32.210 -0.246 17.377 1.00 0.00 H new ATOM 0 HG21 THR A 572 34.223 -0.824 18.340 1.00 0.00 H new ATOM 0 HG22 THR A 572 34.818 -2.484 18.097 1.00 0.00 H new ATOM 0 HG23 THR A 572 34.812 -1.333 16.740 1.00 0.00 H new ATOM 611 N GLY A 573 31.032 -4.778 16.888 1.00 0.00 N ATOM 612 CA GLY A 573 29.702 -5.390 16.841 1.00 0.00 C ATOM 613 C GLY A 573 28.583 -4.472 17.357 1.00 0.00 C ATOM 614 O GLY A 573 28.822 -3.598 18.194 1.00 0.00 O ATOM 0 H GLY A 573 31.629 -5.172 17.615 1.00 0.00 H new ATOM 0 HA2 GLY A 573 29.480 -5.677 15.813 1.00 0.00 H new ATOM 0 HA3 GLY A 573 29.711 -6.305 17.433 1.00 0.00 H new ATOM 618 N VAL A 574 27.355 -4.694 16.870 1.00 0.00 N ATOM 619 CA VAL A 574 26.156 -3.950 17.275 1.00 0.00 C ATOM 620 C VAL A 574 24.916 -4.841 17.351 1.00 0.00 C ATOM 621 O VAL A 574 24.716 -5.687 16.491 1.00 0.00 O ATOM 622 CB VAL A 574 25.937 -2.741 16.342 1.00 0.00 C ATOM 623 CG1 VAL A 574 25.493 -3.088 14.923 1.00 0.00 C ATOM 624 CG2 VAL A 574 24.915 -1.760 16.933 1.00 0.00 C ATOM 0 H VAL A 574 27.164 -5.410 16.169 1.00 0.00 H new ATOM 0 HA VAL A 574 26.322 -3.578 18.286 1.00 0.00 H new ATOM 0 HB VAL A 574 26.926 -2.289 16.269 1.00 0.00 H new ATOM 0 HG11 VAL A 574 25.366 -2.171 14.347 1.00 0.00 H new ATOM 0 HG12 VAL A 574 26.249 -3.714 14.448 1.00 0.00 H new ATOM 0 HG13 VAL A 574 24.546 -3.627 14.960 1.00 0.00 H new ATOM 0 HG21 VAL A 574 24.782 -0.919 16.253 1.00 0.00 H new ATOM 0 HG22 VAL A 574 23.961 -2.268 17.072 1.00 0.00 H new ATOM 0 HG23 VAL A 574 25.275 -1.395 17.895 1.00 0.00 H new ATOM 634 N TYR A 575 24.080 -4.679 18.376 1.00 0.00 N ATOM 635 CA TYR A 575 22.878 -5.503 18.567 1.00 0.00 C ATOM 636 C TYR A 575 21.773 -5.174 17.540 1.00 0.00 C ATOM 637 O TYR A 575 21.264 -4.049 17.519 1.00 0.00 O ATOM 638 CB TYR A 575 22.366 -5.330 20.000 1.00 0.00 C ATOM 639 CG TYR A 575 21.218 -6.251 20.357 1.00 0.00 C ATOM 640 CD1 TYR A 575 19.888 -5.780 20.312 1.00 0.00 C ATOM 641 CD2 TYR A 575 21.480 -7.574 20.760 1.00 0.00 C ATOM 642 CE1 TYR A 575 18.828 -6.625 20.674 1.00 0.00 C ATOM 643 CE2 TYR A 575 20.421 -8.421 21.135 1.00 0.00 C ATOM 644 CZ TYR A 575 19.089 -7.948 21.097 1.00 0.00 C ATOM 645 OH TYR A 575 18.056 -8.747 21.476 1.00 0.00 O ATOM 0 H TYR A 575 24.214 -3.973 19.100 1.00 0.00 H new ATOM 0 HA TYR A 575 23.151 -6.545 18.402 1.00 0.00 H new ATOM 0 HB2 TYR A 575 23.189 -5.506 20.693 1.00 0.00 H new ATOM 0 HB3 TYR A 575 22.047 -4.297 20.139 1.00 0.00 H new ATOM 0 HD1 TYR A 575 19.686 -4.767 19.998 1.00 0.00 H new ATOM 0 HD2 TYR A 575 22.496 -7.940 20.781 1.00 0.00 H new ATOM 0 HE1 TYR A 575 17.811 -6.264 20.629 1.00 0.00 H new ATOM 0 HE2 TYR A 575 20.626 -9.433 21.452 1.00 0.00 H new ATOM 0 HH TYR A 575 18.401 -9.626 21.738 1.00 0.00 H new ATOM 655 N ASP A 576 21.389 -6.148 16.716 1.00 0.00 N ATOM 656 CA ASP A 576 20.222 -6.070 15.830 1.00 0.00 C ATOM 657 C ASP A 576 18.947 -6.483 16.582 1.00 0.00 C ATOM 658 O ASP A 576 18.845 -7.620 17.051 1.00 0.00 O ATOM 659 CB ASP A 576 20.399 -6.985 14.610 1.00 0.00 C ATOM 660 CG ASP A 576 19.199 -6.901 13.651 1.00 0.00 C ATOM 661 OD1 ASP A 576 18.633 -5.799 13.469 1.00 0.00 O ATOM 662 OD2 ASP A 576 18.814 -7.947 13.082 1.00 0.00 O ATOM 0 H ASP A 576 21.890 -7.034 16.642 1.00 0.00 H new ATOM 0 HA ASP A 576 20.131 -5.037 15.494 1.00 0.00 H new ATOM 0 HB2 ASP A 576 21.309 -6.708 14.078 1.00 0.00 H new ATOM 0 HB3 ASP A 576 20.526 -8.015 14.944 1.00 0.00 H new ATOM 667 N GLU A 577 17.964 -5.587 16.658 1.00 0.00 N ATOM 668 CA GLU A 577 16.700 -5.827 17.363 1.00 0.00 C ATOM 669 C GLU A 577 15.743 -6.774 16.616 1.00 0.00 C ATOM 670 O GLU A 577 14.892 -7.400 17.257 1.00 0.00 O ATOM 671 CB GLU A 577 16.016 -4.483 17.659 1.00 0.00 C ATOM 672 CG GLU A 577 16.840 -3.605 18.621 1.00 0.00 C ATOM 673 CD GLU A 577 16.073 -2.335 19.052 1.00 0.00 C ATOM 674 OE1 GLU A 577 15.833 -2.155 20.274 1.00 0.00 O ATOM 675 OE2 GLU A 577 15.687 -1.516 18.180 1.00 0.00 O ATOM 0 H GLU A 577 18.021 -4.664 16.228 1.00 0.00 H new ATOM 0 HA GLU A 577 16.947 -6.337 18.294 1.00 0.00 H new ATOM 0 HB2 GLU A 577 15.859 -3.945 16.724 1.00 0.00 H new ATOM 0 HB3 GLU A 577 15.032 -4.666 18.091 1.00 0.00 H new ATOM 0 HG2 GLU A 577 17.104 -4.186 19.505 1.00 0.00 H new ATOM 0 HG3 GLU A 577 17.774 -3.317 18.138 1.00 0.00 H new ATOM 682 N GLU A 578 15.865 -6.923 15.288 1.00 0.00 N ATOM 683 CA GLU A 578 15.037 -7.850 14.492 1.00 0.00 C ATOM 684 C GLU A 578 15.469 -9.319 14.639 1.00 0.00 C ATOM 685 O GLU A 578 14.637 -10.172 14.952 1.00 0.00 O ATOM 686 CB GLU A 578 15.059 -7.435 13.008 1.00 0.00 C ATOM 687 CG GLU A 578 13.982 -6.391 12.664 1.00 0.00 C ATOM 688 CD GLU A 578 12.549 -6.965 12.701 1.00 0.00 C ATOM 689 OE1 GLU A 578 11.661 -6.342 13.333 1.00 0.00 O ATOM 690 OE2 GLU A 578 12.277 -8.026 12.085 1.00 0.00 O ATOM 0 H GLU A 578 16.543 -6.403 14.731 1.00 0.00 H new ATOM 0 HA GLU A 578 14.021 -7.782 14.881 1.00 0.00 H new ATOM 0 HB2 GLU A 578 16.041 -7.031 12.763 1.00 0.00 H new ATOM 0 HB3 GLU A 578 14.914 -8.318 12.386 1.00 0.00 H new ATOM 0 HG2 GLU A 578 14.052 -5.560 13.366 1.00 0.00 H new ATOM 0 HG3 GLU A 578 14.180 -5.987 11.671 1.00 0.00 H new ATOM 697 N SER A 579 16.759 -9.627 14.453 1.00 0.00 N ATOM 698 CA SER A 579 17.316 -10.966 14.695 1.00 0.00 C ATOM 699 C SER A 579 17.474 -11.263 16.193 1.00 0.00 C ATOM 700 O SER A 579 17.444 -12.424 16.607 1.00 0.00 O ATOM 701 CB SER A 579 18.666 -11.109 13.971 1.00 0.00 C ATOM 702 OG SER A 579 19.127 -12.453 13.993 1.00 0.00 O ATOM 0 H SER A 579 17.450 -8.951 14.129 1.00 0.00 H new ATOM 0 HA SER A 579 16.612 -11.697 14.296 1.00 0.00 H new ATOM 0 HB2 SER A 579 18.564 -10.775 12.939 1.00 0.00 H new ATOM 0 HB3 SER A 579 19.405 -10.462 14.444 1.00 0.00 H new ATOM 0 HG SER A 579 19.986 -12.512 13.524 1.00 0.00 H new ATOM 708 N GLY A 580 17.657 -10.224 17.018 1.00 0.00 N ATOM 709 CA GLY A 580 17.928 -10.333 18.452 1.00 0.00 C ATOM 710 C GLY A 580 19.371 -10.764 18.750 1.00 0.00 C ATOM 711 O GLY A 580 19.620 -11.492 19.716 1.00 0.00 O ATOM 0 H GLY A 580 17.619 -9.258 16.694 1.00 0.00 H new ATOM 0 HA2 GLY A 580 17.734 -9.372 18.928 1.00 0.00 H new ATOM 0 HA3 GLY A 580 17.239 -11.053 18.894 1.00 0.00 H new ATOM 715 N GLU A 581 20.326 -10.369 17.898 1.00 0.00 N ATOM 716 CA GLU A 581 21.724 -10.833 17.905 1.00 0.00 C ATOM 717 C GLU A 581 22.707 -9.715 17.524 1.00 0.00 C ATOM 718 O GLU A 581 22.380 -8.815 16.752 1.00 0.00 O ATOM 719 CB GLU A 581 21.914 -12.016 16.931 1.00 0.00 C ATOM 720 CG GLU A 581 21.176 -13.318 17.299 1.00 0.00 C ATOM 721 CD GLU A 581 21.608 -13.955 18.639 1.00 0.00 C ATOM 722 OE1 GLU A 581 22.746 -13.719 19.122 1.00 0.00 O ATOM 723 OE2 GLU A 581 20.842 -14.790 19.184 1.00 0.00 O ATOM 0 H GLU A 581 20.142 -9.693 17.157 1.00 0.00 H new ATOM 0 HA GLU A 581 21.939 -11.152 18.925 1.00 0.00 H new ATOM 0 HB2 GLU A 581 21.584 -11.702 15.941 1.00 0.00 H new ATOM 0 HB3 GLU A 581 22.980 -12.234 16.858 1.00 0.00 H new ATOM 0 HG2 GLU A 581 20.106 -13.113 17.339 1.00 0.00 H new ATOM 0 HG3 GLU A 581 21.332 -14.044 16.501 1.00 0.00 H new ATOM 730 N TRP A 582 23.934 -9.771 18.042 1.00 0.00 N ATOM 731 CA TRP A 582 25.007 -8.836 17.698 1.00 0.00 C ATOM 732 C TRP A 582 25.573 -9.104 16.294 1.00 0.00 C ATOM 733 O TRP A 582 25.813 -10.252 15.932 1.00 0.00 O ATOM 734 CB TRP A 582 26.098 -8.898 18.770 1.00 0.00 C ATOM 735 CG TRP A 582 25.679 -8.425 20.130 1.00 0.00 C ATOM 736 CD1 TRP A 582 25.053 -9.165 21.077 1.00 0.00 C ATOM 737 CD2 TRP A 582 25.841 -7.095 20.724 1.00 0.00 C ATOM 738 NE1 TRP A 582 24.811 -8.392 22.199 1.00 0.00 N ATOM 739 CE2 TRP A 582 25.262 -7.101 22.030 1.00 0.00 C ATOM 740 CE3 TRP A 582 26.454 -5.899 20.301 1.00 0.00 C ATOM 741 CZ2 TRP A 582 25.242 -5.962 22.850 1.00 0.00 C ATOM 742 CZ3 TRP A 582 26.451 -4.752 21.115 1.00 0.00 C ATOM 743 CH2 TRP A 582 25.827 -4.772 22.377 1.00 0.00 C ATOM 0 H TRP A 582 24.215 -10.477 18.722 1.00 0.00 H new ATOM 0 HA TRP A 582 24.595 -7.827 17.672 1.00 0.00 H new ATOM 0 HB2 TRP A 582 26.448 -9.927 18.852 1.00 0.00 H new ATOM 0 HB3 TRP A 582 26.946 -8.299 18.439 1.00 0.00 H new ATOM 0 HD1 TRP A 582 24.783 -10.205 20.972 1.00 0.00 H new ATOM 0 HE1 TRP A 582 24.356 -8.735 23.045 1.00 0.00 H new ATOM 0 HE3 TRP A 582 26.935 -5.862 19.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 582 24.785 -5.998 23.828 1.00 0.00 H new ATOM 0 HZ3 TRP A 582 26.931 -3.849 20.769 1.00 0.00 H new ATOM 0 HH2 TRP A 582 25.797 -3.877 22.981 1.00 0.00 H new ATOM 754 N VAL A 583 25.852 -8.049 15.525 1.00 0.00 N ATOM 755 CA VAL A 583 26.347 -8.092 14.140 1.00 0.00 C ATOM 756 C VAL A 583 27.501 -7.120 13.890 1.00 0.00 C ATOM 757 O VAL A 583 27.497 -5.990 14.361 1.00 0.00 O ATOM 758 CB VAL A 583 25.221 -7.801 13.122 1.00 0.00 C ATOM 759 CG1 VAL A 583 24.279 -8.998 12.974 1.00 0.00 C ATOM 760 CG2 VAL A 583 24.361 -6.573 13.418 1.00 0.00 C ATOM 0 H VAL A 583 25.735 -7.094 15.864 1.00 0.00 H new ATOM 0 HA VAL A 583 26.717 -9.108 13.998 1.00 0.00 H new ATOM 0 HB VAL A 583 25.769 -7.598 12.202 1.00 0.00 H new ATOM 0 HG11 VAL A 583 23.499 -8.760 12.251 1.00 0.00 H new ATOM 0 HG12 VAL A 583 24.843 -9.864 12.627 1.00 0.00 H new ATOM 0 HG13 VAL A 583 23.823 -9.224 13.938 1.00 0.00 H new ATOM 0 HG21 VAL A 583 23.604 -6.463 12.642 1.00 0.00 H new ATOM 0 HG22 VAL A 583 23.874 -6.695 14.385 1.00 0.00 H new ATOM 0 HG23 VAL A 583 24.991 -5.684 13.438 1.00 0.00 H new ATOM 770 N TRP A 584 28.473 -7.553 13.094 1.00 0.00 N ATOM 771 CA TRP A 584 29.555 -6.733 12.539 1.00 0.00 C ATOM 772 C TRP A 584 29.077 -6.108 11.216 1.00 0.00 C ATOM 773 O TRP A 584 28.979 -6.801 10.198 1.00 0.00 O ATOM 774 CB TRP A 584 30.782 -7.634 12.336 1.00 0.00 C ATOM 775 CG TRP A 584 31.608 -7.929 13.552 1.00 0.00 C ATOM 776 CD1 TRP A 584 32.087 -7.003 14.408 1.00 0.00 C ATOM 777 CD2 TRP A 584 32.102 -9.216 14.037 1.00 0.00 C ATOM 778 NE1 TRP A 584 32.829 -7.620 15.396 1.00 0.00 N ATOM 779 CE2 TRP A 584 32.896 -8.982 15.205 1.00 0.00 C ATOM 780 CE3 TRP A 584 31.945 -10.558 13.628 1.00 0.00 C ATOM 781 CZ2 TRP A 584 33.513 -10.020 15.916 1.00 0.00 C ATOM 782 CZ3 TRP A 584 32.581 -11.605 14.323 1.00 0.00 C ATOM 783 CH2 TRP A 584 33.361 -11.340 15.463 1.00 0.00 C ATOM 0 H TRP A 584 28.535 -8.528 12.802 1.00 0.00 H new ATOM 0 HA TRP A 584 29.829 -5.921 13.212 1.00 0.00 H new ATOM 0 HB2 TRP A 584 30.443 -8.581 11.917 1.00 0.00 H new ATOM 0 HB3 TRP A 584 31.427 -7.168 11.591 1.00 0.00 H new ATOM 0 HD1 TRP A 584 31.916 -5.939 14.332 1.00 0.00 H new ATOM 0 HE1 TRP A 584 33.273 -7.128 16.171 1.00 0.00 H new ATOM 0 HE3 TRP A 584 31.329 -10.785 12.771 1.00 0.00 H new ATOM 0 HZ2 TRP A 584 34.097 -9.808 16.799 1.00 0.00 H new ATOM 0 HZ3 TRP A 584 32.469 -12.622 13.977 1.00 0.00 H new ATOM 0 HH2 TRP A 584 33.842 -12.151 15.989 1.00 0.00 H new ATOM 794 N LYS A 585 28.723 -4.819 11.243 1.00 0.00 N ATOM 795 CA LYS A 585 28.215 -4.080 10.069 1.00 0.00 C ATOM 796 C LYS A 585 29.330 -3.789 9.059 1.00 0.00 C ATOM 797 O LYS A 585 30.482 -3.579 9.455 1.00 0.00 O ATOM 798 CB LYS A 585 27.549 -2.768 10.521 1.00 0.00 C ATOM 799 CG LYS A 585 26.308 -2.932 11.406 1.00 0.00 C ATOM 800 CD LYS A 585 25.113 -3.567 10.675 1.00 0.00 C ATOM 801 CE LYS A 585 23.851 -3.468 11.545 1.00 0.00 C ATOM 802 NZ LYS A 585 22.633 -3.951 10.837 1.00 0.00 N ATOM 0 H LYS A 585 28.779 -4.248 12.086 1.00 0.00 H new ATOM 0 HA LYS A 585 27.475 -4.708 9.572 1.00 0.00 H new ATOM 0 HB2 LYS A 585 28.285 -2.174 11.063 1.00 0.00 H new ATOM 0 HB3 LYS A 585 27.270 -2.198 9.635 1.00 0.00 H new ATOM 0 HG2 LYS A 585 26.565 -3.547 12.268 1.00 0.00 H new ATOM 0 HG3 LYS A 585 26.012 -1.955 11.788 1.00 0.00 H new ATOM 0 HD2 LYS A 585 24.949 -3.062 9.723 1.00 0.00 H new ATOM 0 HD3 LYS A 585 25.328 -4.611 10.449 1.00 0.00 H new ATOM 0 HE2 LYS A 585 23.994 -4.051 12.455 1.00 0.00 H new ATOM 0 HE3 LYS A 585 23.704 -2.432 11.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 585 21.809 -3.864 11.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 585 22.479 -3.379 9.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 585 22.760 -4.948 10.569 1.00 0.00 H new ATOM 816 N ASN A 586 28.997 -3.760 7.765 1.00 0.00 N ATOM 817 CA ASN A 586 29.939 -3.539 6.657 1.00 0.00 C ATOM 818 C ASN A 586 31.172 -4.466 6.743 1.00 0.00 C ATOM 819 O ASN A 586 32.306 -4.021 6.590 1.00 0.00 O ATOM 820 CB ASN A 586 30.269 -2.030 6.570 1.00 0.00 C ATOM 821 CG ASN A 586 31.143 -1.649 5.377 1.00 0.00 C ATOM 822 OD1 ASN A 586 31.245 -2.347 4.382 1.00 0.00 O ATOM 823 ND2 ASN A 586 31.801 -0.515 5.437 1.00 0.00 N ATOM 0 H ASN A 586 28.037 -3.893 7.447 1.00 0.00 H new ATOM 0 HA ASN A 586 29.474 -3.821 5.713 1.00 0.00 H new ATOM 0 HB2 ASN A 586 29.337 -1.468 6.517 1.00 0.00 H new ATOM 0 HB3 ASN A 586 30.773 -1.726 7.487 1.00 0.00 H new ATOM 0 HD21 ASN A 586 32.390 -0.225 4.656 1.00 0.00 H new ATOM 0 HD22 ASN A 586 31.723 0.077 6.264 1.00 0.00 H new ATOM 830 N THR A 587 30.977 -5.757 7.047 1.00 0.00 N ATOM 831 CA THR A 587 32.070 -6.715 7.327 1.00 0.00 C ATOM 832 C THR A 587 31.998 -7.971 6.457 1.00 0.00 C ATOM 833 O THR A 587 30.915 -8.451 6.120 1.00 0.00 O ATOM 834 CB THR A 587 32.129 -7.075 8.820 1.00 0.00 C ATOM 835 OG1 THR A 587 32.346 -5.898 9.566 1.00 0.00 O ATOM 836 CG2 THR A 587 33.278 -8.013 9.190 1.00 0.00 C ATOM 0 H THR A 587 30.049 -6.175 7.107 1.00 0.00 H new ATOM 0 HA THR A 587 32.998 -6.208 7.062 1.00 0.00 H new ATOM 0 HB THR A 587 31.184 -7.571 9.039 1.00 0.00 H new ATOM 0 HG1 THR A 587 31.591 -5.286 9.438 1.00 0.00 H new ATOM 0 HG21 THR A 587 33.250 -8.218 10.260 1.00 0.00 H new ATOM 0 HG22 THR A 587 33.177 -8.948 8.638 1.00 0.00 H new ATOM 0 HG23 THR A 587 34.228 -7.543 8.936 1.00 0.00 H new ATOM 844 N ILE A 588 33.175 -8.506 6.134 1.00 0.00 N ATOM 845 CA ILE A 588 33.423 -9.699 5.321 1.00 0.00 C ATOM 846 C ILE A 588 34.571 -10.521 5.942 1.00 0.00 C ATOM 847 O ILE A 588 35.529 -9.965 6.484 1.00 0.00 O ATOM 848 CB ILE A 588 33.658 -9.299 3.840 1.00 0.00 C ATOM 849 CG1 ILE A 588 34.190 -10.479 3.002 1.00 0.00 C ATOM 850 CG2 ILE A 588 34.630 -8.116 3.705 1.00 0.00 C ATOM 851 CD1 ILE A 588 34.191 -10.246 1.491 1.00 0.00 C ATOM 0 H ILE A 588 34.046 -8.086 6.458 1.00 0.00 H new ATOM 0 HA ILE A 588 32.548 -10.349 5.317 1.00 0.00 H new ATOM 0 HB ILE A 588 32.682 -9.000 3.458 1.00 0.00 H new ATOM 0 HG12 ILE A 588 35.208 -10.703 3.321 1.00 0.00 H new ATOM 0 HG13 ILE A 588 33.587 -11.361 3.219 1.00 0.00 H new ATOM 0 HG21 ILE A 588 34.763 -7.873 2.651 1.00 0.00 H new ATOM 0 HG22 ILE A 588 34.225 -7.250 4.229 1.00 0.00 H new ATOM 0 HG23 ILE A 588 35.593 -8.385 4.140 1.00 0.00 H new ATOM 0 HD11 ILE A 588 34.582 -11.130 0.987 1.00 0.00 H new ATOM 0 HD12 ILE A 588 33.173 -10.055 1.152 1.00 0.00 H new ATOM 0 HD13 ILE A 588 34.819 -9.387 1.256 1.00 0.00 H new ATOM 863 N GLU A 589 34.480 -11.848 5.845 1.00 0.00 N ATOM 864 CA GLU A 589 35.526 -12.794 6.247 1.00 0.00 C ATOM 865 C GLU A 589 36.016 -13.591 5.030 1.00 0.00 C ATOM 866 O GLU A 589 35.227 -14.279 4.373 1.00 0.00 O ATOM 867 CB GLU A 589 34.998 -13.712 7.360 1.00 0.00 C ATOM 868 CG GLU A 589 36.107 -14.621 7.917 1.00 0.00 C ATOM 869 CD GLU A 589 35.644 -15.605 9.014 1.00 0.00 C ATOM 870 OE1 GLU A 589 36.482 -16.428 9.464 1.00 0.00 O ATOM 871 OE2 GLU A 589 34.463 -15.595 9.430 1.00 0.00 O ATOM 0 H GLU A 589 33.650 -12.310 5.473 1.00 0.00 H new ATOM 0 HA GLU A 589 36.381 -12.247 6.644 1.00 0.00 H new ATOM 0 HB2 GLU A 589 34.584 -13.106 8.166 1.00 0.00 H new ATOM 0 HB3 GLU A 589 34.185 -14.325 6.972 1.00 0.00 H new ATOM 0 HG2 GLU A 589 36.538 -15.192 7.094 1.00 0.00 H new ATOM 0 HG3 GLU A 589 36.902 -13.995 8.322 1.00 0.00 H new ATOM 878 N VAL A 590 37.316 -13.499 4.731 1.00 0.00 N ATOM 879 CA VAL A 590 37.976 -14.092 3.560 1.00 0.00 C ATOM 880 C VAL A 590 39.361 -14.588 3.947 1.00 0.00 C ATOM 881 O VAL A 590 40.150 -13.869 4.564 1.00 0.00 O ATOM 882 CB VAL A 590 38.000 -13.099 2.370 1.00 0.00 C ATOM 883 CG1 VAL A 590 39.085 -13.408 1.328 1.00 0.00 C ATOM 884 CG2 VAL A 590 36.665 -13.095 1.614 1.00 0.00 C ATOM 0 H VAL A 590 37.968 -12.986 5.325 1.00 0.00 H new ATOM 0 HA VAL A 590 37.403 -14.955 3.219 1.00 0.00 H new ATOM 0 HB VAL A 590 38.206 -12.134 2.834 1.00 0.00 H new ATOM 0 HG11 VAL A 590 39.040 -12.671 0.526 1.00 0.00 H new ATOM 0 HG12 VAL A 590 40.066 -13.369 1.802 1.00 0.00 H new ATOM 0 HG13 VAL A 590 38.920 -14.403 0.916 1.00 0.00 H new ATOM 0 HG21 VAL A 590 36.718 -12.388 0.786 1.00 0.00 H new ATOM 0 HG22 VAL A 590 36.464 -14.093 1.226 1.00 0.00 H new ATOM 0 HG23 VAL A 590 35.864 -12.801 2.292 1.00 0.00 H new ATOM 894 N ASN A 591 39.657 -15.831 3.564 1.00 0.00 N ATOM 895 CA ASN A 591 40.956 -16.477 3.731 1.00 0.00 C ATOM 896 C ASN A 591 41.477 -16.405 5.186 1.00 0.00 C ATOM 897 O ASN A 591 42.635 -16.056 5.438 1.00 0.00 O ATOM 898 CB ASN A 591 41.918 -15.927 2.664 1.00 0.00 C ATOM 899 CG ASN A 591 41.466 -16.152 1.229 1.00 0.00 C ATOM 900 OD1 ASN A 591 40.683 -17.041 0.910 1.00 0.00 O ATOM 901 ND2 ASN A 591 41.952 -15.356 0.303 1.00 0.00 N ATOM 0 H ASN A 591 38.972 -16.436 3.112 1.00 0.00 H new ATOM 0 HA ASN A 591 40.864 -17.550 3.563 1.00 0.00 H new ATOM 0 HB2 ASN A 591 42.047 -14.857 2.827 1.00 0.00 H new ATOM 0 HB3 ASN A 591 42.895 -16.391 2.801 1.00 0.00 H new ATOM 0 HD21 ASN A 591 41.678 -15.480 -0.672 1.00 0.00 H new ATOM 0 HD22 ASN A 591 42.604 -14.614 0.559 1.00 0.00 H new ATOM 908 N GLY A 592 40.591 -16.682 6.151 1.00 0.00 N ATOM 909 CA GLY A 592 40.884 -16.693 7.591 1.00 0.00 C ATOM 910 C GLY A 592 41.073 -15.313 8.238 1.00 0.00 C ATOM 911 O GLY A 592 41.499 -15.243 9.394 1.00 0.00 O ATOM 0 H GLY A 592 39.619 -16.912 5.945 1.00 0.00 H new ATOM 0 HA2 GLY A 592 40.072 -17.208 8.105 1.00 0.00 H new ATOM 0 HA3 GLY A 592 41.788 -17.279 7.756 1.00 0.00 H new ATOM 915 N LYS A 593 40.764 -14.223 7.515 1.00 0.00 N ATOM 916 CA LYS A 593 40.947 -12.825 7.934 1.00 0.00 C ATOM 917 C LYS A 593 39.666 -12.002 7.763 1.00 0.00 C ATOM 918 O LYS A 593 38.844 -12.284 6.893 1.00 0.00 O ATOM 919 CB LYS A 593 42.106 -12.202 7.137 1.00 0.00 C ATOM 920 CG LYS A 593 43.462 -12.842 7.484 1.00 0.00 C ATOM 921 CD LYS A 593 44.615 -12.296 6.625 1.00 0.00 C ATOM 922 CE LYS A 593 44.564 -12.735 5.154 1.00 0.00 C ATOM 923 NZ LYS A 593 44.784 -14.197 4.979 1.00 0.00 N ATOM 0 H LYS A 593 40.362 -14.297 6.581 1.00 0.00 H new ATOM 0 HA LYS A 593 41.188 -12.815 8.997 1.00 0.00 H new ATOM 0 HB2 LYS A 593 41.914 -12.318 6.070 1.00 0.00 H new ATOM 0 HB3 LYS A 593 42.149 -11.132 7.339 1.00 0.00 H new ATOM 0 HG2 LYS A 593 43.684 -12.665 8.536 1.00 0.00 H new ATOM 0 HG3 LYS A 593 43.394 -13.922 7.350 1.00 0.00 H new ATOM 0 HD2 LYS A 593 44.602 -11.207 6.669 1.00 0.00 H new ATOM 0 HD3 LYS A 593 45.561 -12.621 7.057 1.00 0.00 H new ATOM 0 HE2 LYS A 593 43.596 -12.465 4.733 1.00 0.00 H new ATOM 0 HE3 LYS A 593 45.320 -12.189 4.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 593 45.075 -14.389 3.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 593 45.529 -14.516 5.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 593 43.902 -14.708 5.185 1.00 0.00 H new ATOM 937 N TYR A 594 39.507 -10.971 8.587 1.00 0.00 N ATOM 938 CA TYR A 594 38.407 -10.002 8.491 1.00 0.00 C ATOM 939 C TYR A 594 38.797 -8.735 7.737 1.00 0.00 C ATOM 940 O TYR A 594 39.934 -8.262 7.817 1.00 0.00 O ATOM 941 CB TYR A 594 37.903 -9.620 9.882 1.00 0.00 C ATOM 942 CG TYR A 594 37.162 -10.737 10.580 1.00 0.00 C ATOM 943 CD1 TYR A 594 35.870 -11.075 10.136 1.00 0.00 C ATOM 944 CD2 TYR A 594 37.760 -11.442 11.638 1.00 0.00 C ATOM 945 CE1 TYR A 594 35.176 -12.134 10.749 1.00 0.00 C ATOM 946 CE2 TYR A 594 37.062 -12.491 12.262 1.00 0.00 C ATOM 947 CZ TYR A 594 35.768 -12.840 11.819 1.00 0.00 C ATOM 948 OH TYR A 594 35.108 -13.866 12.422 1.00 0.00 O ATOM 0 H TYR A 594 40.148 -10.777 9.356 1.00 0.00 H new ATOM 0 HA TYR A 594 37.616 -10.496 7.927 1.00 0.00 H new ATOM 0 HB2 TYR A 594 38.750 -9.317 10.497 1.00 0.00 H new ATOM 0 HB3 TYR A 594 37.245 -8.755 9.797 1.00 0.00 H new ATOM 0 HD1 TYR A 594 35.413 -10.523 9.328 1.00 0.00 H new ATOM 0 HD2 TYR A 594 38.753 -11.179 11.971 1.00 0.00 H new ATOM 0 HE1 TYR A 594 34.191 -12.407 10.401 1.00 0.00 H new ATOM 0 HE2 TYR A 594 37.516 -13.030 13.080 1.00 0.00 H new ATOM 0 HH TYR A 594 35.665 -14.238 13.137 1.00 0.00 H new ATOM 958 N PHE A 595 37.806 -8.156 7.061 1.00 0.00 N ATOM 959 CA PHE A 595 37.919 -6.908 6.300 1.00 0.00 C ATOM 960 C PHE A 595 36.581 -6.147 6.307 1.00 0.00 C ATOM 961 O PHE A 595 35.518 -6.733 6.536 1.00 0.00 O ATOM 962 CB PHE A 595 38.350 -7.217 4.853 1.00 0.00 C ATOM 963 CG PHE A 595 39.603 -8.054 4.663 1.00 0.00 C ATOM 964 CD1 PHE A 595 39.492 -9.444 4.453 1.00 0.00 C ATOM 965 CD2 PHE A 595 40.874 -7.448 4.662 1.00 0.00 C ATOM 966 CE1 PHE A 595 40.646 -10.220 4.242 1.00 0.00 C ATOM 967 CE2 PHE A 595 42.025 -8.222 4.423 1.00 0.00 C ATOM 968 CZ PHE A 595 41.910 -9.607 4.221 1.00 0.00 C ATOM 0 H PHE A 595 36.868 -8.555 7.025 1.00 0.00 H new ATOM 0 HA PHE A 595 38.673 -6.277 6.770 1.00 0.00 H new ATOM 0 HB2 PHE A 595 37.525 -7.728 4.357 1.00 0.00 H new ATOM 0 HB3 PHE A 595 38.496 -6.269 4.335 1.00 0.00 H new ATOM 0 HD1 PHE A 595 38.519 -9.913 4.454 1.00 0.00 H new ATOM 0 HD2 PHE A 595 40.966 -6.388 4.845 1.00 0.00 H new ATOM 0 HE1 PHE A 595 40.560 -11.287 4.096 1.00 0.00 H new ATOM 0 HE2 PHE A 595 42.996 -7.751 4.395 1.00 0.00 H new ATOM 0 HZ PHE A 595 42.795 -10.202 4.049 1.00 0.00 H new ATOM 978 N HIS A 596 36.613 -4.840 6.025 1.00 0.00 N ATOM 979 CA HIS A 596 35.399 -4.065 5.740 1.00 0.00 C ATOM 980 C HIS A 596 34.929 -4.417 4.327 1.00 0.00 C ATOM 981 O HIS A 596 35.761 -4.563 3.425 1.00 0.00 O ATOM 982 CB HIS A 596 35.675 -2.562 5.784 1.00 0.00 C ATOM 983 CG HIS A 596 35.817 -1.900 7.126 1.00 0.00 C ATOM 984 ND1 HIS A 596 36.888 -1.060 7.411 1.00 0.00 N ATOM 985 CD2 HIS A 596 34.945 -1.895 8.177 1.00 0.00 C ATOM 986 CE1 HIS A 596 36.658 -0.566 8.637 1.00 0.00 C ATOM 987 NE2 HIS A 596 35.493 -1.054 9.121 1.00 0.00 N ATOM 0 H HIS A 596 37.473 -4.293 5.988 1.00 0.00 H new ATOM 0 HA HIS A 596 34.648 -4.307 6.492 1.00 0.00 H new ATOM 0 HB2 HIS A 596 36.591 -2.376 5.224 1.00 0.00 H new ATOM 0 HB3 HIS A 596 34.868 -2.060 5.250 1.00 0.00 H new ATOM 0 HD2 HIS A 596 34.015 -2.439 8.253 1.00 0.00 H new ATOM 0 HE1 HIS A 596 37.307 0.120 9.160 1.00 0.00 H new ATOM 0 HE2 HIS A 596 35.088 -0.836 10.032 1.00 0.00 H new ATOM 995 N SER A 597 33.619 -4.513 4.087 1.00 0.00 N ATOM 996 CA SER A 597 33.105 -4.863 2.756 1.00 0.00 C ATOM 997 C SER A 597 33.380 -3.757 1.728 1.00 0.00 C ATOM 998 O SER A 597 33.884 -4.050 0.644 1.00 0.00 O ATOM 999 CB SER A 597 31.621 -5.257 2.822 1.00 0.00 C ATOM 1000 OG SER A 597 31.224 -5.883 1.614 1.00 0.00 O ATOM 0 H SER A 597 32.897 -4.355 4.790 1.00 0.00 H new ATOM 0 HA SER A 597 33.650 -5.740 2.407 1.00 0.00 H new ATOM 0 HB2 SER A 597 31.454 -5.932 3.661 1.00 0.00 H new ATOM 0 HB3 SER A 597 31.010 -4.372 2.999 1.00 0.00 H new ATOM 0 HG SER A 597 30.763 -6.724 1.817 1.00 0.00 H new ATOM 1006 N THR A 598 33.194 -2.481 2.092 1.00 0.00 N ATOM 1007 CA THR A 598 33.556 -1.324 1.242 1.00 0.00 C ATOM 1008 C THR A 598 35.052 -1.270 0.904 1.00 0.00 C ATOM 1009 O THR A 598 35.411 -0.965 -0.234 1.00 0.00 O ATOM 1010 CB THR A 598 33.165 0.012 1.901 1.00 0.00 C ATOM 1011 OG1 THR A 598 33.607 0.077 3.241 1.00 0.00 O ATOM 1012 CG2 THR A 598 31.664 0.262 1.903 1.00 0.00 C ATOM 0 H THR A 598 32.786 -2.214 2.988 1.00 0.00 H new ATOM 0 HA THR A 598 32.994 -1.467 0.319 1.00 0.00 H new ATOM 0 HB THR A 598 33.652 0.775 1.295 1.00 0.00 H new ATOM 0 HG1 THR A 598 33.489 0.989 3.581 1.00 0.00 H new ATOM 0 HG21 THR A 598 31.455 1.219 2.381 1.00 0.00 H new ATOM 0 HG22 THR A 598 31.297 0.281 0.877 1.00 0.00 H new ATOM 0 HG23 THR A 598 31.163 -0.535 2.452 1.00 0.00 H new ATOM 1020 N CYS A 599 35.923 -1.610 1.860 1.00 0.00 N ATOM 1021 CA CYS A 599 37.368 -1.660 1.671 1.00 0.00 C ATOM 1022 C CYS A 599 37.755 -2.813 0.721 1.00 0.00 C ATOM 1023 O CYS A 599 38.383 -2.587 -0.315 1.00 0.00 O ATOM 1024 CB CYS A 599 38.043 -1.755 3.050 1.00 0.00 C ATOM 1025 SG CYS A 599 37.776 -0.230 4.020 1.00 0.00 S ATOM 0 H CYS A 599 35.632 -1.862 2.805 1.00 0.00 H new ATOM 0 HA CYS A 599 37.722 -0.749 1.188 1.00 0.00 H new ATOM 0 HB2 CYS A 599 37.645 -2.611 3.595 1.00 0.00 H new ATOM 0 HB3 CYS A 599 39.112 -1.927 2.924 1.00 0.00 H new ATOM 0 HG CYS A 599 37.664 -0.531 5.280 1.00 0.00 H new ATOM 1030 N TYR A 600 37.379 -4.052 1.062 1.00 0.00 N ATOM 1031 CA TYR A 600 37.769 -5.247 0.301 1.00 0.00 C ATOM 1032 C TYR A 600 37.170 -5.281 -1.118 1.00 0.00 C ATOM 1033 O TYR A 600 37.853 -5.710 -2.049 1.00 0.00 O ATOM 1034 CB TYR A 600 37.417 -6.500 1.116 1.00 0.00 C ATOM 1035 CG TYR A 600 37.988 -7.771 0.515 1.00 0.00 C ATOM 1036 CD1 TYR A 600 39.314 -8.147 0.810 1.00 0.00 C ATOM 1037 CD2 TYR A 600 37.226 -8.532 -0.394 1.00 0.00 C ATOM 1038 CE1 TYR A 600 39.892 -9.263 0.176 1.00 0.00 C ATOM 1039 CE2 TYR A 600 37.804 -9.648 -1.034 1.00 0.00 C ATOM 1040 CZ TYR A 600 39.143 -10.004 -0.765 1.00 0.00 C ATOM 1041 OH TYR A 600 39.716 -11.040 -1.441 1.00 0.00 O ATOM 0 H TYR A 600 36.795 -4.255 1.874 1.00 0.00 H new ATOM 0 HA TYR A 600 38.847 -5.217 0.145 1.00 0.00 H new ATOM 0 HB2 TYR A 600 37.792 -6.384 2.133 1.00 0.00 H new ATOM 0 HB3 TYR A 600 36.333 -6.591 1.184 1.00 0.00 H new ATOM 0 HD1 TYR A 600 39.889 -7.577 1.525 1.00 0.00 H new ATOM 0 HD2 TYR A 600 36.201 -8.261 -0.600 1.00 0.00 H new ATOM 0 HE1 TYR A 600 40.906 -9.552 0.409 1.00 0.00 H new ATOM 0 HE2 TYR A 600 37.221 -10.231 -1.731 1.00 0.00 H new ATOM 0 HH TYR A 600 39.057 -11.439 -2.047 1.00 0.00 H new ATOM 1051 N HIS A 601 35.956 -4.755 -1.324 1.00 0.00 N ATOM 1052 CA HIS A 601 35.306 -4.631 -2.643 1.00 0.00 C ATOM 1053 C HIS A 601 36.130 -3.807 -3.647 1.00 0.00 C ATOM 1054 O HIS A 601 36.177 -4.131 -4.836 1.00 0.00 O ATOM 1055 CB HIS A 601 33.914 -4.005 -2.447 1.00 0.00 C ATOM 1056 CG HIS A 601 33.112 -3.815 -3.713 1.00 0.00 C ATOM 1057 ND1 HIS A 601 32.409 -4.819 -4.384 1.00 0.00 N ATOM 1058 CD2 HIS A 601 32.942 -2.635 -4.378 1.00 0.00 C ATOM 1059 CE1 HIS A 601 31.833 -4.220 -5.442 1.00 0.00 C ATOM 1060 NE2 HIS A 601 32.130 -2.911 -5.457 1.00 0.00 N ATOM 0 H HIS A 601 35.381 -4.394 -0.562 1.00 0.00 H new ATOM 0 HA HIS A 601 35.223 -5.630 -3.072 1.00 0.00 H new ATOM 0 HB2 HIS A 601 33.343 -4.634 -1.765 1.00 0.00 H new ATOM 0 HB3 HIS A 601 34.034 -3.036 -1.962 1.00 0.00 H new ATOM 0 HD2 HIS A 601 33.361 -1.676 -4.112 1.00 0.00 H new ATOM 0 HE1 HIS A 601 31.219 -4.721 -6.175 1.00 0.00 H new ATOM 0 HE2 HIS A 601 31.809 -2.235 -6.150 1.00 0.00 H new ATOM 1068 N GLU A 602 36.803 -2.754 -3.174 1.00 0.00 N ATOM 1069 CA GLU A 602 37.697 -1.914 -3.991 1.00 0.00 C ATOM 1070 C GLU A 602 39.160 -2.406 -4.013 1.00 0.00 C ATOM 1071 O GLU A 602 39.889 -2.127 -4.970 1.00 0.00 O ATOM 1072 CB GLU A 602 37.632 -0.459 -3.495 1.00 0.00 C ATOM 1073 CG GLU A 602 36.232 0.151 -3.676 1.00 0.00 C ATOM 1074 CD GLU A 602 36.134 1.655 -3.319 1.00 0.00 C ATOM 1075 OE1 GLU A 602 37.098 2.267 -2.791 1.00 0.00 O ATOM 1076 OE2 GLU A 602 35.062 2.256 -3.581 1.00 0.00 O ATOM 0 H GLU A 602 36.745 -2.453 -2.201 1.00 0.00 H new ATOM 0 HA GLU A 602 37.341 -1.982 -5.019 1.00 0.00 H new ATOM 0 HB2 GLU A 602 37.910 -0.423 -2.442 1.00 0.00 H new ATOM 0 HB3 GLU A 602 38.362 0.142 -4.038 1.00 0.00 H new ATOM 0 HG2 GLU A 602 35.922 0.016 -4.712 1.00 0.00 H new ATOM 0 HG3 GLU A 602 35.526 -0.403 -3.057 1.00 0.00 H new ATOM 1083 N THR A 603 39.602 -3.120 -2.968 1.00 0.00 N ATOM 1084 CA THR A 603 41.001 -3.566 -2.801 1.00 0.00 C ATOM 1085 C THR A 603 41.305 -4.879 -3.532 1.00 0.00 C ATOM 1086 O THR A 603 42.392 -5.029 -4.098 1.00 0.00 O ATOM 1087 CB THR A 603 41.356 -3.682 -1.311 1.00 0.00 C ATOM 1088 OG1 THR A 603 41.252 -2.405 -0.724 1.00 0.00 O ATOM 1089 CG2 THR A 603 42.780 -4.170 -1.037 1.00 0.00 C ATOM 0 H THR A 603 38.993 -3.410 -2.203 1.00 0.00 H new ATOM 0 HA THR A 603 41.628 -2.802 -3.262 1.00 0.00 H new ATOM 0 HB THR A 603 40.664 -4.415 -0.897 1.00 0.00 H new ATOM 0 HG1 THR A 603 40.317 -2.229 -0.488 1.00 0.00 H new ATOM 0 HG21 THR A 603 42.946 -4.223 0.039 1.00 0.00 H new ATOM 0 HG22 THR A 603 42.916 -5.159 -1.474 1.00 0.00 H new ATOM 0 HG23 THR A 603 43.494 -3.476 -1.481 1.00 0.00 H new