USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 441 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 586 ASN : amide:sc= 1.41 K(o=2.8,f=-2!) USER MOD Set 1.2: A 597 SER OG : rot 143:sc= 1.02 USER MOD Set 1.3: A 598 THR OG1 : rot 180:sc= 0.377 USER MOD Set 2.1: A 564 CYS SG : rot 161:sc= 0.45 USER MOD Set 2.2: A 567 CYS SG : rot -62:sc= -0.8 USER MOD Set 2.3: A 596 HIS : no HD1:sc= 0.295 K(o=-0.74,f=-2.1) USER MOD Set 2.4: A 599 CYS SG : rot 142:sc= -0.683 USER MOD Set 3.1: A 591 ASN : amide:sc= 0.789 K(o=2.5,f=-4.8!) USER MOD Set 3.2: A 593 LYS NZ :NH3+ 180:sc= 1.75 (180deg=0.811) USER MOD Single : A 549 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 550 TYR OH : rot 180:sc= 0 USER MOD Single : A 556 THR OG1 : rot 180:sc= 0 USER MOD Single : A 557 SER OG : rot 180:sc= 0 USER MOD Single : A 558 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 560 MET CE :methyl 164:sc= -0.482 (180deg=-1.44) 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 64:sc= 0.782 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) USER MOD Single : A 603 THR OG1 : rot 85:sc= 1.04 USER MOD ----------------------------------------------------------------- ATOM 184 N ILE A 546 27.200 -1.997 -1.026 1.00 0.00 N ATOM 185 CA ILE A 546 28.200 -2.865 -0.374 1.00 0.00 C ATOM 186 C ILE A 546 28.225 -2.687 1.159 1.00 0.00 C ATOM 187 O ILE A 546 28.397 -3.657 1.900 1.00 0.00 O ATOM 188 CB ILE A 546 29.596 -2.576 -0.985 1.00 0.00 C ATOM 189 CG1 ILE A 546 29.681 -2.724 -2.524 1.00 0.00 C ATOM 190 CG2 ILE A 546 30.686 -3.446 -0.330 1.00 0.00 C ATOM 191 CD1 ILE A 546 29.700 -4.164 -3.047 1.00 0.00 C ATOM 0 HA ILE A 546 27.922 -3.903 -0.558 1.00 0.00 H new ATOM 0 HB ILE A 546 29.768 -1.522 -0.767 1.00 0.00 H new ATOM 0 HG12 ILE A 546 28.832 -2.205 -2.969 1.00 0.00 H new ATOM 0 HG13 ILE A 546 30.582 -2.218 -2.871 1.00 0.00 H new ATOM 0 HG21 ILE A 546 31.652 -3.219 -0.781 1.00 0.00 H new ATOM 0 HG22 ILE A 546 30.726 -3.236 0.739 1.00 0.00 H new ATOM 0 HG23 ILE A 546 30.452 -4.499 -0.484 1.00 0.00 H new ATOM 0 HD11 ILE A 546 29.761 -4.155 -4.135 1.00 0.00 H new ATOM 0 HD12 ILE A 546 30.565 -4.688 -2.639 1.00 0.00 H new ATOM 0 HD13 ILE A 546 28.788 -4.675 -2.739 1.00 0.00 H new ATOM 203 N ARG A 547 27.996 -1.459 1.654 1.00 0.00 N ATOM 204 CA ARG A 547 27.942 -1.117 3.091 1.00 0.00 C ATOM 205 C ARG A 547 26.831 -1.846 3.864 1.00 0.00 C ATOM 206 O ARG A 547 26.953 -2.008 5.077 1.00 0.00 O ATOM 207 CB ARG A 547 27.845 0.416 3.195 1.00 0.00 C ATOM 208 CG ARG A 547 27.695 0.947 4.633 1.00 0.00 C ATOM 209 CD ARG A 547 28.134 2.410 4.766 1.00 0.00 C ATOM 210 NE ARG A 547 29.604 2.521 4.749 1.00 0.00 N ATOM 211 CZ ARG A 547 30.339 3.606 4.600 1.00 0.00 C ATOM 212 NH1 ARG A 547 29.819 4.785 4.422 1.00 0.00 N ATOM 213 NH2 ARG A 547 31.636 3.502 4.634 1.00 0.00 N ATOM 0 H ARG A 547 27.838 -0.652 1.051 1.00 0.00 H new ATOM 0 HA ARG A 547 28.851 -1.469 3.579 1.00 0.00 H new ATOM 0 HB2 ARG A 547 28.737 0.856 2.749 1.00 0.00 H new ATOM 0 HB3 ARG A 547 26.994 0.755 2.605 1.00 0.00 H new ATOM 0 HG2 ARG A 547 26.655 0.853 4.945 1.00 0.00 H new ATOM 0 HG3 ARG A 547 28.288 0.330 5.309 1.00 0.00 H new ATOM 0 HD2 ARG A 547 27.711 2.996 3.950 1.00 0.00 H new ATOM 0 HD3 ARG A 547 27.744 2.828 5.694 1.00 0.00 H new ATOM 0 HE ARG A 547 30.118 1.648 4.868 1.00 0.00 H new ATOM 0 HH11 ARG A 547 28.806 4.896 4.393 1.00 0.00 H new ATOM 0 HH12 ARG A 547 30.425 5.598 4.311 1.00 0.00 H new ATOM 0 HH21 ARG A 547 32.071 2.590 4.774 1.00 0.00 H new ATOM 0 HH22 ARG A 547 32.217 4.332 4.520 1.00 0.00 H new ATOM 227 N GLY A 548 25.790 -2.335 3.186 1.00 0.00 N ATOM 228 CA GLY A 548 24.696 -3.100 3.803 1.00 0.00 C ATOM 229 C GLY A 548 25.063 -4.525 4.254 1.00 0.00 C ATOM 230 O GLY A 548 24.292 -5.143 4.994 1.00 0.00 O ATOM 0 H GLY A 548 25.679 -2.211 2.180 1.00 0.00 H new ATOM 0 HA2 GLY A 548 24.330 -2.546 4.667 1.00 0.00 H new ATOM 0 HA3 GLY A 548 23.872 -3.162 3.092 1.00 0.00 H new ATOM 234 N LYS A 549 26.224 -5.061 3.838 1.00 0.00 N ATOM 235 CA LYS A 549 26.712 -6.398 4.236 1.00 0.00 C ATOM 236 C LYS A 549 27.153 -6.439 5.709 1.00 0.00 C ATOM 237 O LYS A 549 27.672 -5.453 6.235 1.00 0.00 O ATOM 238 CB LYS A 549 27.876 -6.831 3.318 1.00 0.00 C ATOM 239 CG LYS A 549 27.503 -6.948 1.830 1.00 0.00 C ATOM 240 CD LYS A 549 26.410 -7.984 1.540 1.00 0.00 C ATOM 241 CE LYS A 549 26.179 -8.078 0.026 1.00 0.00 C ATOM 242 NZ LYS A 549 25.114 -9.060 -0.309 1.00 0.00 N ATOM 0 H LYS A 549 26.860 -4.573 3.207 1.00 0.00 H new ATOM 0 HA LYS A 549 25.882 -7.096 4.126 1.00 0.00 H new ATOM 0 HB2 LYS A 549 28.690 -6.113 3.421 1.00 0.00 H new ATOM 0 HB3 LYS A 549 28.255 -7.794 3.662 1.00 0.00 H new ATOM 0 HG2 LYS A 549 27.170 -5.974 1.472 1.00 0.00 H new ATOM 0 HG3 LYS A 549 28.396 -7.208 1.262 1.00 0.00 H new ATOM 0 HD2 LYS A 549 26.703 -8.957 1.934 1.00 0.00 H new ATOM 0 HD3 LYS A 549 25.485 -7.702 2.042 1.00 0.00 H new ATOM 0 HE2 LYS A 549 25.904 -7.097 -0.362 1.00 0.00 H new ATOM 0 HE3 LYS A 549 27.108 -8.366 -0.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 549 24.987 -9.096 -1.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 549 25.388 -10.001 0.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 549 24.222 -8.771 0.140 1.00 0.00 H new ATOM 256 N TYR A 550 26.982 -7.591 6.359 1.00 0.00 N ATOM 257 CA TYR A 550 27.419 -7.839 7.744 1.00 0.00 C ATOM 258 C TYR A 550 27.729 -9.312 8.047 1.00 0.00 C ATOM 259 O TYR A 550 27.347 -10.218 7.300 1.00 0.00 O ATOM 260 CB TYR A 550 26.376 -7.295 8.749 1.00 0.00 C ATOM 261 CG TYR A 550 24.982 -7.891 8.632 1.00 0.00 C ATOM 262 CD1 TYR A 550 24.000 -7.235 7.867 1.00 0.00 C ATOM 263 CD2 TYR A 550 24.668 -9.097 9.290 1.00 0.00 C ATOM 264 CE1 TYR A 550 22.706 -7.782 7.749 1.00 0.00 C ATOM 265 CE2 TYR A 550 23.379 -9.650 9.174 1.00 0.00 C ATOM 266 CZ TYR A 550 22.393 -8.994 8.403 1.00 0.00 C ATOM 267 OH TYR A 550 21.143 -9.527 8.274 1.00 0.00 O ATOM 0 H TYR A 550 26.527 -8.398 5.933 1.00 0.00 H new ATOM 0 HA TYR A 550 28.360 -7.301 7.858 1.00 0.00 H new ATOM 0 HB2 TYR A 550 26.744 -7.472 9.760 1.00 0.00 H new ATOM 0 HB3 TYR A 550 26.303 -6.215 8.621 1.00 0.00 H new ATOM 0 HD1 TYR A 550 24.239 -6.308 7.368 1.00 0.00 H new ATOM 0 HD2 TYR A 550 25.418 -9.598 9.884 1.00 0.00 H new ATOM 0 HE1 TYR A 550 21.956 -7.275 7.160 1.00 0.00 H new ATOM 0 HE2 TYR A 550 23.143 -10.577 9.675 1.00 0.00 H new ATOM 0 HH TYR A 550 21.089 -10.362 8.784 1.00 0.00 H new ATOM 277 N VAL A 551 28.401 -9.528 9.182 1.00 0.00 N ATOM 278 CA VAL A 551 28.742 -10.841 9.773 1.00 0.00 C ATOM 279 C VAL A 551 28.470 -10.837 11.284 1.00 0.00 C ATOM 280 O VAL A 551 28.707 -9.840 11.962 1.00 0.00 O ATOM 281 CB VAL A 551 30.201 -11.247 9.448 1.00 0.00 C ATOM 282 CG1 VAL A 551 30.274 -11.895 8.059 1.00 0.00 C ATOM 283 CG2 VAL A 551 31.229 -10.115 9.468 1.00 0.00 C ATOM 0 H VAL A 551 28.744 -8.753 9.750 1.00 0.00 H new ATOM 0 HA VAL A 551 28.099 -11.597 9.322 1.00 0.00 H new ATOM 0 HB VAL A 551 30.463 -11.932 10.254 1.00 0.00 H new ATOM 0 HG11 VAL A 551 31.305 -12.176 7.842 1.00 0.00 H new ATOM 0 HG12 VAL A 551 29.644 -12.784 8.039 1.00 0.00 H new ATOM 0 HG13 VAL A 551 29.926 -11.186 7.308 1.00 0.00 H new ATOM 0 HG21 VAL A 551 32.214 -10.514 9.227 1.00 0.00 H new ATOM 0 HG22 VAL A 551 30.953 -9.360 8.732 1.00 0.00 H new ATOM 0 HG23 VAL A 551 31.253 -9.663 10.460 1.00 0.00 H new ATOM 293 N VAL A 552 27.924 -11.926 11.833 1.00 0.00 N ATOM 294 CA VAL A 552 27.534 -12.016 13.263 1.00 0.00 C ATOM 295 C VAL A 552 28.765 -12.045 14.187 1.00 0.00 C ATOM 296 O VAL A 552 29.707 -12.811 13.957 1.00 0.00 O ATOM 297 CB VAL A 552 26.596 -13.225 13.491 1.00 0.00 C ATOM 298 CG1 VAL A 552 26.334 -13.556 14.964 1.00 0.00 C ATOM 299 CG2 VAL A 552 25.230 -12.986 12.833 1.00 0.00 C ATOM 0 H VAL A 552 27.735 -12.778 11.305 1.00 0.00 H new ATOM 0 HA VAL A 552 26.979 -11.115 13.525 1.00 0.00 H new ATOM 0 HB VAL A 552 27.126 -14.065 13.042 1.00 0.00 H new ATOM 0 HG11 VAL A 552 25.667 -14.416 15.031 1.00 0.00 H new ATOM 0 HG12 VAL A 552 27.277 -13.789 15.458 1.00 0.00 H new ATOM 0 HG13 VAL A 552 25.871 -12.699 15.453 1.00 0.00 H new ATOM 0 HG21 VAL A 552 24.587 -13.849 13.006 1.00 0.00 H new ATOM 0 HG22 VAL A 552 24.769 -12.097 13.264 1.00 0.00 H new ATOM 0 HG23 VAL A 552 25.363 -12.842 11.761 1.00 0.00 H new ATOM 309 N VAL A 553 28.743 -11.232 15.253 1.00 0.00 N ATOM 310 CA VAL A 553 29.724 -11.264 16.355 1.00 0.00 C ATOM 311 C VAL A 553 29.525 -12.559 17.168 1.00 0.00 C ATOM 312 O VAL A 553 28.427 -12.769 17.694 1.00 0.00 O ATOM 313 CB VAL A 553 29.589 -10.045 17.299 1.00 0.00 C ATOM 314 CG1 VAL A 553 30.558 -10.174 18.483 1.00 0.00 C ATOM 315 CG2 VAL A 553 29.886 -8.699 16.652 1.00 0.00 C ATOM 0 H VAL A 553 28.027 -10.516 15.379 1.00 0.00 H new ATOM 0 HA VAL A 553 30.720 -11.229 15.914 1.00 0.00 H new ATOM 0 HB VAL A 553 28.542 -10.059 17.601 1.00 0.00 H new ATOM 0 HG11 VAL A 553 30.450 -9.309 19.137 1.00 0.00 H new ATOM 0 HG12 VAL A 553 30.331 -11.082 19.042 1.00 0.00 H new ATOM 0 HG13 VAL A 553 31.582 -10.223 18.112 1.00 0.00 H new ATOM 0 HG21 VAL A 553 29.765 -7.906 17.390 1.00 0.00 H new ATOM 0 HG22 VAL A 553 30.910 -8.693 16.277 1.00 0.00 H new ATOM 0 HG23 VAL A 553 29.196 -8.533 15.825 1.00 0.00 H new ATOM 325 N PRO A 554 30.553 -13.405 17.349 1.00 0.00 N ATOM 326 CA PRO A 554 30.473 -14.590 18.203 1.00 0.00 C ATOM 327 C PRO A 554 30.599 -14.235 19.692 1.00 0.00 C ATOM 328 O PRO A 554 31.388 -13.377 20.079 1.00 0.00 O ATOM 329 CB PRO A 554 31.620 -15.487 17.740 1.00 0.00 C ATOM 330 CG PRO A 554 32.685 -14.487 17.298 1.00 0.00 C ATOM 331 CD PRO A 554 31.872 -13.322 16.738 1.00 0.00 C ATOM 0 HA PRO A 554 29.506 -15.085 18.113 1.00 0.00 H new ATOM 0 HB2 PRO A 554 31.979 -16.129 18.544 1.00 0.00 H new ATOM 0 HB3 PRO A 554 31.316 -16.140 16.922 1.00 0.00 H new ATOM 0 HG2 PRO A 554 33.312 -14.174 18.133 1.00 0.00 H new ATOM 0 HG3 PRO A 554 33.347 -14.913 16.544 1.00 0.00 H new ATOM 0 HD2 PRO A 554 32.348 -12.370 16.971 1.00 0.00 H new ATOM 0 HD3 PRO A 554 31.801 -13.385 15.652 1.00 0.00 H new ATOM 339 N GLU A 555 29.857 -14.943 20.551 1.00 0.00 N ATOM 340 CA GLU A 555 29.850 -14.727 22.011 1.00 0.00 C ATOM 341 C GLU A 555 31.229 -14.961 22.669 1.00 0.00 C ATOM 342 O GLU A 555 31.548 -14.364 23.700 1.00 0.00 O ATOM 343 CB GLU A 555 28.765 -15.630 22.623 1.00 0.00 C ATOM 344 CG GLU A 555 28.526 -15.371 24.119 1.00 0.00 C ATOM 345 CD GLU A 555 27.283 -16.114 24.645 1.00 0.00 C ATOM 346 OE1 GLU A 555 27.161 -17.351 24.457 1.00 0.00 O ATOM 347 OE2 GLU A 555 26.413 -15.474 25.285 1.00 0.00 O ATOM 0 H GLU A 555 29.234 -15.694 20.252 1.00 0.00 H new ATOM 0 HA GLU A 555 29.623 -13.679 22.207 1.00 0.00 H new ATOM 0 HB2 GLU A 555 27.831 -15.480 22.082 1.00 0.00 H new ATOM 0 HB3 GLU A 555 29.050 -16.673 22.484 1.00 0.00 H new ATOM 0 HG2 GLU A 555 29.402 -15.686 24.685 1.00 0.00 H new ATOM 0 HG3 GLU A 555 28.406 -14.301 24.286 1.00 0.00 H new ATOM 354 N THR A 556 32.086 -15.775 22.040 1.00 0.00 N ATOM 355 CA THR A 556 33.457 -16.061 22.494 1.00 0.00 C ATOM 356 C THR A 556 34.424 -14.885 22.301 1.00 0.00 C ATOM 357 O THR A 556 35.391 -14.769 23.061 1.00 0.00 O ATOM 358 CB THR A 556 34.009 -17.297 21.758 1.00 0.00 C ATOM 359 OG1 THR A 556 33.966 -17.130 20.350 1.00 0.00 O ATOM 360 CG2 THR A 556 33.211 -18.560 22.103 1.00 0.00 C ATOM 0 H THR A 556 31.841 -16.266 21.180 1.00 0.00 H new ATOM 0 HA THR A 556 33.390 -16.247 23.566 1.00 0.00 H new ATOM 0 HB THR A 556 35.042 -17.406 22.088 1.00 0.00 H new ATOM 0 HG1 THR A 556 34.325 -17.931 19.914 1.00 0.00 H new ATOM 0 HG21 THR A 556 33.628 -19.412 21.566 1.00 0.00 H new ATOM 0 HG22 THR A 556 33.267 -18.744 23.176 1.00 0.00 H new ATOM 0 HG23 THR A 556 32.169 -18.423 21.813 1.00 0.00 H new ATOM 368 N SER A 557 34.183 -13.990 21.337 1.00 0.00 N ATOM 369 CA SER A 557 34.989 -12.773 21.141 1.00 0.00 C ATOM 370 C SER A 557 34.560 -11.671 22.119 1.00 0.00 C ATOM 371 O SER A 557 33.709 -10.833 21.807 1.00 0.00 O ATOM 372 CB SER A 557 34.900 -12.284 19.685 1.00 0.00 C ATOM 373 OG SER A 557 35.618 -13.167 18.838 1.00 0.00 O ATOM 0 H SER A 557 33.421 -14.087 20.666 1.00 0.00 H new ATOM 0 HA SER A 557 36.030 -13.020 21.348 1.00 0.00 H new ATOM 0 HB2 SER A 557 33.857 -12.232 19.372 1.00 0.00 H new ATOM 0 HB3 SER A 557 35.307 -11.276 19.604 1.00 0.00 H new ATOM 0 HG SER A 557 35.557 -12.853 17.912 1.00 0.00 H new ATOM 379 N GLN A 558 35.178 -11.662 23.302 1.00 0.00 N ATOM 380 CA GLN A 558 34.876 -10.743 24.409 1.00 0.00 C ATOM 381 C GLN A 558 34.974 -9.248 24.029 1.00 0.00 C ATOM 382 O GLN A 558 34.248 -8.415 24.577 1.00 0.00 O ATOM 383 CB GLN A 558 35.835 -11.029 25.573 1.00 0.00 C ATOM 384 CG GLN A 558 35.739 -12.449 26.155 1.00 0.00 C ATOM 385 CD GLN A 558 36.675 -12.682 27.349 1.00 0.00 C ATOM 386 OE1 GLN A 558 37.425 -11.824 27.797 1.00 0.00 O ATOM 387 NE2 GLN A 558 36.670 -13.872 27.918 1.00 0.00 N ATOM 0 H GLN A 558 35.928 -12.315 23.526 1.00 0.00 H new ATOM 0 HA GLN A 558 33.838 -10.924 24.688 1.00 0.00 H new ATOM 0 HB2 GLN A 558 36.857 -10.859 25.233 1.00 0.00 H new ATOM 0 HB3 GLN A 558 35.641 -10.311 26.370 1.00 0.00 H new ATOM 0 HG2 GLN A 558 34.711 -12.638 26.466 1.00 0.00 H new ATOM 0 HG3 GLN A 558 35.973 -13.171 25.373 1.00 0.00 H new ATOM 0 HE21 GLN A 558 36.054 -14.604 27.564 1.00 0.00 H new ATOM 0 HE22 GLN A 558 37.282 -14.060 28.712 1.00 0.00 H new ATOM 396 N ASP A 559 35.859 -8.903 23.087 1.00 0.00 N ATOM 397 CA ASP A 559 36.045 -7.533 22.591 1.00 0.00 C ATOM 398 C ASP A 559 34.947 -7.070 21.607 1.00 0.00 C ATOM 399 O ASP A 559 34.768 -5.861 21.419 1.00 0.00 O ATOM 400 CB ASP A 559 37.430 -7.422 21.922 1.00 0.00 C ATOM 401 CG ASP A 559 38.613 -7.728 22.861 1.00 0.00 C ATOM 402 OD1 ASP A 559 38.592 -7.339 24.056 1.00 0.00 O ATOM 403 OD2 ASP A 559 39.607 -8.333 22.388 1.00 0.00 O ATOM 0 H ASP A 559 36.477 -9.579 22.639 1.00 0.00 H new ATOM 0 HA ASP A 559 35.973 -6.872 23.455 1.00 0.00 H new ATOM 0 HB2 ASP A 559 37.467 -8.106 21.075 1.00 0.00 H new ATOM 0 HB3 ASP A 559 37.549 -6.414 21.523 1.00 0.00 H new ATOM 408 N MET A 560 34.235 -8.007 20.964 1.00 0.00 N ATOM 409 CA MET A 560 33.243 -7.766 19.892 1.00 0.00 C ATOM 410 C MET A 560 33.782 -6.884 18.752 1.00 0.00 C ATOM 411 O MET A 560 33.054 -6.101 18.130 1.00 0.00 O ATOM 412 CB MET A 560 31.908 -7.255 20.474 1.00 0.00 C ATOM 413 CG MET A 560 31.383 -8.189 21.570 1.00 0.00 C ATOM 414 SD MET A 560 29.795 -7.726 22.320 1.00 0.00 S ATOM 415 CE MET A 560 28.659 -8.459 21.117 1.00 0.00 C ATOM 0 H MET A 560 34.335 -8.998 21.182 1.00 0.00 H new ATOM 0 HA MET A 560 33.041 -8.729 19.424 1.00 0.00 H new ATOM 0 HB2 MET A 560 32.047 -6.254 20.882 1.00 0.00 H new ATOM 0 HB3 MET A 560 31.169 -7.175 19.677 1.00 0.00 H new ATOM 0 HG2 MET A 560 31.285 -9.190 21.150 1.00 0.00 H new ATOM 0 HG3 MET A 560 32.132 -8.246 22.360 1.00 0.00 H new ATOM 0 HE1 MET A 560 27.661 -8.523 21.551 1.00 0.00 H new ATOM 0 HE2 MET A 560 28.626 -7.838 20.222 1.00 0.00 H new ATOM 0 HE3 MET A 560 29.004 -9.458 20.853 1.00 0.00 H new ATOM 425 N ALA A 561 35.082 -6.998 18.472 1.00 0.00 N ATOM 426 CA ALA A 561 35.820 -6.113 17.573 1.00 0.00 C ATOM 427 C ALA A 561 36.966 -6.829 16.827 1.00 0.00 C ATOM 428 O ALA A 561 37.521 -7.820 17.313 1.00 0.00 O ATOM 429 CB ALA A 561 36.342 -4.935 18.409 1.00 0.00 C ATOM 0 H ALA A 561 35.666 -7.730 18.877 1.00 0.00 H new ATOM 0 HA ALA A 561 35.150 -5.762 16.788 1.00 0.00 H new ATOM 0 HB1 ALA A 561 36.899 -4.252 17.768 1.00 0.00 H new ATOM 0 HB2 ALA A 561 35.501 -4.406 18.857 1.00 0.00 H new ATOM 0 HB3 ALA A 561 36.997 -5.309 19.196 1.00 0.00 H new ATOM 435 N PHE A 562 37.333 -6.307 15.652 1.00 0.00 N ATOM 436 CA PHE A 562 38.490 -6.750 14.858 1.00 0.00 C ATOM 437 C PHE A 562 39.004 -5.603 13.967 1.00 0.00 C ATOM 438 O PHE A 562 38.255 -4.685 13.648 1.00 0.00 O ATOM 439 CB PHE A 562 38.132 -7.993 14.018 1.00 0.00 C ATOM 440 CG PHE A 562 39.322 -8.878 13.691 1.00 0.00 C ATOM 441 CD1 PHE A 562 39.632 -9.971 14.527 1.00 0.00 C ATOM 442 CD2 PHE A 562 40.112 -8.634 12.556 1.00 0.00 C ATOM 443 CE1 PHE A 562 40.723 -10.806 14.221 1.00 0.00 C ATOM 444 CE2 PHE A 562 41.203 -9.466 12.252 1.00 0.00 C ATOM 445 CZ PHE A 562 41.508 -10.556 13.081 1.00 0.00 C ATOM 0 H PHE A 562 36.820 -5.543 15.212 1.00 0.00 H new ATOM 0 HA PHE A 562 39.292 -7.031 15.541 1.00 0.00 H new ATOM 0 HB2 PHE A 562 37.390 -8.583 14.557 1.00 0.00 H new ATOM 0 HB3 PHE A 562 37.666 -7.669 13.087 1.00 0.00 H new ATOM 0 HD1 PHE A 562 39.032 -10.167 15.403 1.00 0.00 H new ATOM 0 HD2 PHE A 562 39.879 -7.800 11.911 1.00 0.00 H new ATOM 0 HE1 PHE A 562 40.958 -11.641 14.864 1.00 0.00 H new ATOM 0 HE2 PHE A 562 41.807 -9.266 11.379 1.00 0.00 H new ATOM 0 HZ PHE A 562 42.342 -11.200 12.845 1.00 0.00 H new ATOM 455 N LYS A 563 40.280 -5.641 13.576 1.00 0.00 N ATOM 456 CA LYS A 563 40.975 -4.569 12.836 1.00 0.00 C ATOM 457 C LYS A 563 41.207 -4.943 11.366 1.00 0.00 C ATOM 458 O LYS A 563 41.977 -5.860 11.099 1.00 0.00 O ATOM 459 CB LYS A 563 42.255 -4.239 13.625 1.00 0.00 C ATOM 460 CG LYS A 563 43.126 -3.086 13.091 1.00 0.00 C ATOM 461 CD LYS A 563 44.142 -3.453 11.995 1.00 0.00 C ATOM 462 CE LYS A 563 45.046 -4.663 12.298 1.00 0.00 C ATOM 463 NZ LYS A 563 45.892 -4.464 13.506 1.00 0.00 N ATOM 0 H LYS A 563 40.883 -6.441 13.769 1.00 0.00 H new ATOM 0 HA LYS A 563 40.365 -3.668 12.770 1.00 0.00 H new ATOM 0 HB2 LYS A 563 41.970 -4.002 14.650 1.00 0.00 H new ATOM 0 HB3 LYS A 563 42.870 -5.138 13.665 1.00 0.00 H new ATOM 0 HG2 LYS A 563 42.466 -2.311 12.701 1.00 0.00 H new ATOM 0 HG3 LYS A 563 43.669 -2.650 13.930 1.00 0.00 H new ATOM 0 HD2 LYS A 563 43.597 -3.653 11.072 1.00 0.00 H new ATOM 0 HD3 LYS A 563 44.777 -2.587 11.809 1.00 0.00 H new ATOM 0 HE2 LYS A 563 44.425 -5.548 12.437 1.00 0.00 H new ATOM 0 HE3 LYS A 563 45.688 -4.855 11.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 563 46.479 -5.308 13.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 563 46.506 -3.636 13.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 563 45.283 -4.308 14.334 1.00 0.00 H new ATOM 477 N CYS A 564 40.580 -4.208 10.438 1.00 0.00 N ATOM 478 CA CYS A 564 40.719 -4.298 8.984 1.00 0.00 C ATOM 479 C CYS A 564 42.197 -4.169 8.553 1.00 0.00 C ATOM 480 O CYS A 564 42.727 -3.059 8.678 1.00 0.00 O ATOM 481 CB CYS A 564 39.904 -3.160 8.335 1.00 0.00 C ATOM 482 SG CYS A 564 39.821 -3.361 6.518 1.00 0.00 S ATOM 0 H CYS A 564 39.915 -3.483 10.707 1.00 0.00 H new ATOM 0 HA CYS A 564 40.351 -5.271 8.660 1.00 0.00 H new ATOM 0 HB2 CYS A 564 38.896 -3.149 8.749 1.00 0.00 H new ATOM 0 HB3 CYS A 564 40.359 -2.199 8.577 1.00 0.00 H new ATOM 0 HG CYS A 564 38.836 -2.655 6.048 1.00 0.00 H new ATOM 487 N PRO A 565 42.846 -5.234 8.034 1.00 0.00 N ATOM 488 CA PRO A 565 44.238 -5.178 7.583 1.00 0.00 C ATOM 489 C PRO A 565 44.503 -4.215 6.412 1.00 0.00 C ATOM 490 O PRO A 565 45.648 -3.810 6.214 1.00 0.00 O ATOM 491 CB PRO A 565 44.598 -6.616 7.185 1.00 0.00 C ATOM 492 CG PRO A 565 43.621 -7.479 7.980 1.00 0.00 C ATOM 493 CD PRO A 565 42.366 -6.614 8.033 1.00 0.00 C ATOM 0 HA PRO A 565 44.854 -4.782 8.390 1.00 0.00 H new ATOM 0 HB2 PRO A 565 44.486 -6.772 6.112 1.00 0.00 H new ATOM 0 HB3 PRO A 565 45.632 -6.852 7.435 1.00 0.00 H new ATOM 0 HG2 PRO A 565 43.433 -8.434 7.488 1.00 0.00 H new ATOM 0 HG3 PRO A 565 43.999 -7.703 8.977 1.00 0.00 H new ATOM 0 HD2 PRO A 565 41.721 -6.805 7.176 1.00 0.00 H new ATOM 0 HD3 PRO A 565 41.780 -6.827 8.927 1.00 0.00 H new ATOM 501 N ILE A 566 43.481 -3.858 5.627 1.00 0.00 N ATOM 502 CA ILE A 566 43.618 -3.002 4.436 1.00 0.00 C ATOM 503 C ILE A 566 43.837 -1.532 4.831 1.00 0.00 C ATOM 504 O ILE A 566 44.853 -0.936 4.460 1.00 0.00 O ATOM 505 CB ILE A 566 42.396 -3.174 3.506 1.00 0.00 C ATOM 506 CG1 ILE A 566 42.355 -4.609 2.920 1.00 0.00 C ATOM 507 CG2 ILE A 566 42.407 -2.136 2.367 1.00 0.00 C ATOM 508 CD1 ILE A 566 41.034 -4.986 2.230 1.00 0.00 C ATOM 0 H ILE A 566 42.521 -4.158 5.800 1.00 0.00 H new ATOM 0 HA ILE A 566 44.503 -3.317 3.883 1.00 0.00 H new ATOM 0 HB ILE A 566 41.500 -3.011 4.104 1.00 0.00 H new ATOM 0 HG12 ILE A 566 43.167 -4.716 2.201 1.00 0.00 H new ATOM 0 HG13 ILE A 566 42.545 -5.320 3.724 1.00 0.00 H new ATOM 0 HG21 ILE A 566 41.534 -2.284 1.731 1.00 0.00 H new ATOM 0 HG22 ILE A 566 42.381 -1.132 2.790 1.00 0.00 H new ATOM 0 HG23 ILE A 566 43.313 -2.257 1.773 1.00 0.00 H new ATOM 0 HD11 ILE A 566 41.099 -6.006 1.852 1.00 0.00 H new ATOM 0 HD12 ILE A 566 40.216 -4.916 2.947 1.00 0.00 H new ATOM 0 HD13 ILE A 566 40.849 -4.303 1.401 1.00 0.00 H new ATOM 520 N CYS A 567 42.908 -0.957 5.596 1.00 0.00 N ATOM 521 CA CYS A 567 42.941 0.452 5.997 1.00 0.00 C ATOM 522 C CYS A 567 43.416 0.676 7.456 1.00 0.00 C ATOM 523 O CYS A 567 43.534 1.817 7.913 1.00 0.00 O ATOM 524 CB CYS A 567 41.570 1.071 5.682 1.00 0.00 C ATOM 525 SG CYS A 567 40.291 0.493 6.834 1.00 0.00 S ATOM 0 H CYS A 567 42.100 -1.463 5.960 1.00 0.00 H new ATOM 0 HA CYS A 567 43.704 0.972 5.417 1.00 0.00 H new ATOM 0 HB2 CYS A 567 41.641 2.158 5.733 1.00 0.00 H new ATOM 0 HB3 CYS A 567 41.282 0.818 4.662 1.00 0.00 H new ATOM 0 HG CYS A 567 40.147 -0.793 6.713 1.00 0.00 H new ATOM 530 N LYS A 568 43.712 -0.426 8.160 1.00 0.00 N ATOM 531 CA LYS A 568 44.119 -0.497 9.574 1.00 0.00 C ATOM 532 C LYS A 568 43.051 0.046 10.533 1.00 0.00 C ATOM 533 O LYS A 568 43.370 0.827 11.434 1.00 0.00 O ATOM 534 CB LYS A 568 45.527 0.102 9.781 1.00 0.00 C ATOM 535 CG LYS A 568 46.612 -0.450 8.836 1.00 0.00 C ATOM 536 CD LYS A 568 46.860 -1.964 8.983 1.00 0.00 C ATOM 537 CE LYS A 568 47.890 -2.494 7.973 1.00 0.00 C ATOM 538 NZ LYS A 568 49.266 -1.995 8.245 1.00 0.00 N ATOM 0 H LYS A 568 43.672 -1.351 7.732 1.00 0.00 H new ATOM 0 HA LYS A 568 44.199 -1.550 9.842 1.00 0.00 H new ATOM 0 HB2 LYS A 568 45.469 1.183 9.652 1.00 0.00 H new ATOM 0 HB3 LYS A 568 45.836 -0.080 10.810 1.00 0.00 H new ATOM 0 HG2 LYS A 568 46.325 -0.238 7.806 1.00 0.00 H new ATOM 0 HG3 LYS A 568 47.546 0.081 9.022 1.00 0.00 H new ATOM 0 HD2 LYS A 568 47.206 -2.175 9.995 1.00 0.00 H new ATOM 0 HD3 LYS A 568 45.919 -2.497 8.850 1.00 0.00 H new ATOM 0 HE2 LYS A 568 47.891 -3.584 7.998 1.00 0.00 H new ATOM 0 HE3 LYS A 568 47.592 -2.199 6.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 49.922 -2.381 7.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 49.275 -0.956 8.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 49.564 -2.298 9.194 1.00 0.00 H new ATOM 552 N GLU A 569 41.783 -0.349 10.351 1.00 0.00 N ATOM 553 CA GLU A 569 40.651 0.214 11.134 1.00 0.00 C ATOM 554 C GLU A 569 39.834 -0.821 11.915 1.00 0.00 C ATOM 555 O GLU A 569 39.438 -1.853 11.384 1.00 0.00 O ATOM 556 CB GLU A 569 39.677 0.978 10.235 1.00 0.00 C ATOM 557 CG GLU A 569 40.201 2.346 9.785 1.00 0.00 C ATOM 558 CD GLU A 569 39.221 3.138 8.881 1.00 0.00 C ATOM 559 OE1 GLU A 569 39.681 4.066 8.168 1.00 0.00 O ATOM 560 OE2 GLU A 569 37.988 2.907 8.917 1.00 0.00 O ATOM 0 H GLU A 569 41.506 -1.056 9.670 1.00 0.00 H new ATOM 0 HA GLU A 569 41.137 0.874 11.853 1.00 0.00 H new ATOM 0 HB2 GLU A 569 39.459 0.374 9.354 1.00 0.00 H new ATOM 0 HB3 GLU A 569 38.736 1.116 10.768 1.00 0.00 H new ATOM 0 HG2 GLU A 569 40.427 2.944 10.668 1.00 0.00 H new ATOM 0 HG3 GLU A 569 41.139 2.204 9.248 1.00 0.00 H new ATOM 567 N THR A 570 39.505 -0.506 13.169 1.00 0.00 N ATOM 568 CA THR A 570 38.742 -1.404 14.051 1.00 0.00 C ATOM 569 C THR A 570 37.228 -1.308 13.834 1.00 0.00 C ATOM 570 O THR A 570 36.623 -0.264 14.090 1.00 0.00 O ATOM 571 CB THR A 570 39.095 -1.151 15.527 1.00 0.00 C ATOM 572 OG1 THR A 570 40.488 -1.317 15.702 1.00 0.00 O ATOM 573 CG2 THR A 570 38.400 -2.123 16.482 1.00 0.00 C ATOM 0 H THR A 570 39.759 0.380 13.607 1.00 0.00 H new ATOM 0 HA THR A 570 39.033 -2.420 13.786 1.00 0.00 H new ATOM 0 HB THR A 570 38.762 -0.139 15.760 1.00 0.00 H new ATOM 0 HG1 THR A 570 40.721 -1.156 16.640 1.00 0.00 H new ATOM 0 HG21 THR A 570 38.689 -1.894 17.508 1.00 0.00 H new ATOM 0 HG22 THR A 570 37.319 -2.025 16.378 1.00 0.00 H new ATOM 0 HG23 THR A 570 38.696 -3.144 16.241 1.00 0.00 H new ATOM 581 N VAL A 571 36.602 -2.407 13.397 1.00 0.00 N ATOM 582 CA VAL A 571 35.138 -2.594 13.389 1.00 0.00 C ATOM 583 C VAL A 571 34.667 -3.112 14.747 1.00 0.00 C ATOM 584 O VAL A 571 35.374 -3.867 15.410 1.00 0.00 O ATOM 585 CB VAL A 571 34.626 -3.543 12.284 1.00 0.00 C ATOM 586 CG1 VAL A 571 34.226 -2.719 11.069 1.00 0.00 C ATOM 587 CG2 VAL A 571 35.589 -4.655 11.874 1.00 0.00 C ATOM 0 H VAL A 571 37.107 -3.213 13.029 1.00 0.00 H new ATOM 0 HA VAL A 571 34.719 -1.610 13.177 1.00 0.00 H new ATOM 0 HB VAL A 571 33.771 -4.066 12.713 1.00 0.00 H new ATOM 0 HG11 VAL A 571 33.863 -3.382 10.283 1.00 0.00 H new ATOM 0 HG12 VAL A 571 33.437 -2.020 11.347 1.00 0.00 H new ATOM 0 HG13 VAL A 571 35.091 -2.164 10.705 1.00 0.00 H new ATOM 0 HG21 VAL A 571 35.132 -5.263 11.093 1.00 0.00 H new ATOM 0 HG22 VAL A 571 36.513 -4.216 11.498 1.00 0.00 H new ATOM 0 HG23 VAL A 571 35.811 -5.281 12.738 1.00 0.00 H new ATOM 597 N THR A 572 33.454 -2.720 15.142 1.00 0.00 N ATOM 598 CA THR A 572 32.805 -3.085 16.416 1.00 0.00 C ATOM 599 C THR A 572 31.354 -3.532 16.193 1.00 0.00 C ATOM 600 O THR A 572 30.704 -3.143 15.217 1.00 0.00 O ATOM 601 CB THR A 572 32.845 -1.928 17.432 1.00 0.00 C ATOM 602 OG1 THR A 572 32.131 -0.804 16.956 1.00 0.00 O ATOM 603 CG2 THR A 572 34.270 -1.469 17.747 1.00 0.00 C ATOM 0 H THR A 572 32.869 -2.116 14.565 1.00 0.00 H new ATOM 0 HA THR A 572 33.371 -3.920 16.828 1.00 0.00 H new ATOM 0 HB THR A 572 32.386 -2.322 18.338 1.00 0.00 H new ATOM 0 HG1 THR A 572 32.171 -0.085 17.621 1.00 0.00 H new ATOM 0 HG21 THR A 572 34.238 -0.652 18.468 1.00 0.00 H new ATOM 0 HG22 THR A 572 34.836 -2.301 18.166 1.00 0.00 H new ATOM 0 HG23 THR A 572 34.753 -1.126 16.832 1.00 0.00 H new ATOM 611 N GLY A 573 30.860 -4.407 17.075 1.00 0.00 N ATOM 612 CA GLY A 573 29.528 -5.001 16.966 1.00 0.00 C ATOM 613 C GLY A 573 28.364 -4.033 17.221 1.00 0.00 C ATOM 614 O GLY A 573 28.514 -3.031 17.927 1.00 0.00 O ATOM 0 H GLY A 573 31.381 -4.725 17.892 1.00 0.00 H new ATOM 0 HA2 GLY A 573 29.416 -5.425 15.968 1.00 0.00 H new ATOM 0 HA3 GLY A 573 29.456 -5.827 17.674 1.00 0.00 H new ATOM 618 N VAL A 574 27.177 -4.383 16.716 1.00 0.00 N ATOM 619 CA VAL A 574 25.897 -3.713 17.015 1.00 0.00 C ATOM 620 C VAL A 574 24.749 -4.720 17.164 1.00 0.00 C ATOM 621 O VAL A 574 24.726 -5.738 16.470 1.00 0.00 O ATOM 622 CB VAL A 574 25.589 -2.622 15.960 1.00 0.00 C ATOM 623 CG1 VAL A 574 25.167 -3.145 14.589 1.00 0.00 C ATOM 624 CG2 VAL A 574 24.486 -1.676 16.460 1.00 0.00 C ATOM 0 H VAL A 574 27.072 -5.163 16.068 1.00 0.00 H new ATOM 0 HA VAL A 574 25.995 -3.215 17.980 1.00 0.00 H new ATOM 0 HB VAL A 574 26.540 -2.106 15.830 1.00 0.00 H new ATOM 0 HG11 VAL A 574 24.974 -2.304 13.922 1.00 0.00 H new ATOM 0 HG12 VAL A 574 25.964 -3.762 14.174 1.00 0.00 H new ATOM 0 HG13 VAL A 574 24.261 -3.743 14.691 1.00 0.00 H new ATOM 0 HG21 VAL A 574 24.286 -0.918 15.703 1.00 0.00 H new ATOM 0 HG22 VAL A 574 23.577 -2.246 16.651 1.00 0.00 H new ATOM 0 HG23 VAL A 574 24.812 -1.192 17.381 1.00 0.00 H new ATOM 634 N TYR A 575 23.812 -4.476 18.081 1.00 0.00 N ATOM 635 CA TYR A 575 22.743 -5.425 18.403 1.00 0.00 C ATOM 636 C TYR A 575 21.625 -5.498 17.333 1.00 0.00 C ATOM 637 O TYR A 575 21.025 -4.482 16.969 1.00 0.00 O ATOM 638 CB TYR A 575 22.144 -5.058 19.777 1.00 0.00 C ATOM 639 CG TYR A 575 21.027 -5.954 20.292 1.00 0.00 C ATOM 640 CD1 TYR A 575 19.969 -5.385 21.032 1.00 0.00 C ATOM 641 CD2 TYR A 575 21.036 -7.348 20.075 1.00 0.00 C ATOM 642 CE1 TYR A 575 18.922 -6.189 21.536 1.00 0.00 C ATOM 643 CE2 TYR A 575 19.981 -8.150 20.546 1.00 0.00 C ATOM 644 CZ TYR A 575 18.920 -7.578 21.281 1.00 0.00 C ATOM 645 OH TYR A 575 17.903 -8.362 21.730 1.00 0.00 O ATOM 0 H TYR A 575 23.772 -3.613 18.623 1.00 0.00 H new ATOM 0 HA TYR A 575 23.193 -6.417 18.427 1.00 0.00 H new ATOM 0 HB2 TYR A 575 22.949 -5.060 20.512 1.00 0.00 H new ATOM 0 HB3 TYR A 575 21.765 -4.037 19.722 1.00 0.00 H new ATOM 0 HD1 TYR A 575 19.959 -4.321 21.216 1.00 0.00 H new ATOM 0 HD2 TYR A 575 21.859 -7.803 19.543 1.00 0.00 H new ATOM 0 HE1 TYR A 575 18.126 -5.743 22.114 1.00 0.00 H new ATOM 0 HE2 TYR A 575 19.983 -9.211 20.344 1.00 0.00 H new ATOM 0 HH TYR A 575 18.064 -9.291 21.463 1.00 0.00 H new ATOM 655 N ASP A 576 21.321 -6.711 16.859 1.00 0.00 N ATOM 656 CA ASP A 576 20.159 -7.041 16.032 1.00 0.00 C ATOM 657 C ASP A 576 19.043 -7.617 16.921 1.00 0.00 C ATOM 658 O ASP A 576 19.070 -8.793 17.289 1.00 0.00 O ATOM 659 CB ASP A 576 20.552 -8.029 14.914 1.00 0.00 C ATOM 660 CG ASP A 576 19.488 -8.149 13.799 1.00 0.00 C ATOM 661 OD1 ASP A 576 19.868 -8.561 12.677 1.00 0.00 O ATOM 662 OD2 ASP A 576 18.303 -7.830 14.031 1.00 0.00 O ATOM 0 H ASP A 576 21.905 -7.525 17.051 1.00 0.00 H new ATOM 0 HA ASP A 576 19.788 -6.135 15.552 1.00 0.00 H new ATOM 0 HB2 ASP A 576 21.496 -7.710 14.472 1.00 0.00 H new ATOM 0 HB3 ASP A 576 20.722 -9.013 15.352 1.00 0.00 H new ATOM 667 N GLU A 577 18.046 -6.792 17.250 1.00 0.00 N ATOM 668 CA GLU A 577 16.904 -7.158 18.103 1.00 0.00 C ATOM 669 C GLU A 577 16.009 -8.261 17.493 1.00 0.00 C ATOM 670 O GLU A 577 15.340 -8.997 18.227 1.00 0.00 O ATOM 671 CB GLU A 577 16.041 -5.904 18.346 1.00 0.00 C ATOM 672 CG GLU A 577 16.718 -4.833 19.199 1.00 0.00 C ATOM 673 CD GLU A 577 15.846 -3.567 19.323 1.00 0.00 C ATOM 674 OE1 GLU A 577 16.196 -2.524 18.710 1.00 0.00 O ATOM 675 OE2 GLU A 577 14.809 -3.600 20.025 1.00 0.00 O ATOM 0 H GLU A 577 18.006 -5.826 16.924 1.00 0.00 H new ATOM 0 HA GLU A 577 17.316 -7.554 19.031 1.00 0.00 H new ATOM 0 HB2 GLU A 577 15.773 -5.469 17.383 1.00 0.00 H new ATOM 0 HB3 GLU A 577 15.112 -6.204 18.830 1.00 0.00 H new ATOM 0 HG2 GLU A 577 16.921 -5.234 20.192 1.00 0.00 H new ATOM 0 HG3 GLU A 577 17.680 -4.571 18.758 1.00 0.00 H new ATOM 682 N GLU A 578 15.974 -8.385 16.159 1.00 0.00 N ATOM 683 CA GLU A 578 15.134 -9.367 15.452 1.00 0.00 C ATOM 684 C GLU A 578 15.727 -10.776 15.487 1.00 0.00 C ATOM 685 O GLU A 578 15.016 -11.741 15.772 1.00 0.00 O ATOM 686 CB GLU A 578 14.889 -8.916 13.997 1.00 0.00 C ATOM 687 CG GLU A 578 14.214 -7.540 13.850 1.00 0.00 C ATOM 688 CD GLU A 578 12.856 -7.429 14.580 1.00 0.00 C ATOM 689 OE1 GLU A 578 12.049 -8.395 14.545 1.00 0.00 O ATOM 690 OE2 GLU A 578 12.557 -6.355 15.149 1.00 0.00 O ATOM 0 H GLU A 578 16.531 -7.803 15.534 1.00 0.00 H new ATOM 0 HA GLU A 578 14.180 -9.412 15.977 1.00 0.00 H new ATOM 0 HB2 GLU A 578 15.845 -8.894 13.473 1.00 0.00 H new ATOM 0 HB3 GLU A 578 14.270 -9.663 13.500 1.00 0.00 H new ATOM 0 HG2 GLU A 578 14.886 -6.773 14.235 1.00 0.00 H new ATOM 0 HG3 GLU A 578 14.065 -7.331 12.791 1.00 0.00 H new ATOM 697 N SER A 579 17.033 -10.913 15.212 1.00 0.00 N ATOM 698 CA SER A 579 17.762 -12.184 15.350 1.00 0.00 C ATOM 699 C SER A 579 18.105 -12.503 16.809 1.00 0.00 C ATOM 700 O SER A 579 18.196 -13.678 17.169 1.00 0.00 O ATOM 701 CB SER A 579 19.054 -12.135 14.528 1.00 0.00 C ATOM 702 OG SER A 579 18.761 -12.021 13.144 1.00 0.00 O ATOM 0 H SER A 579 17.616 -10.142 14.886 1.00 0.00 H new ATOM 0 HA SER A 579 17.106 -12.972 14.981 1.00 0.00 H new ATOM 0 HB2 SER A 579 19.663 -11.289 14.847 1.00 0.00 H new ATOM 0 HB3 SER A 579 19.641 -13.036 14.708 1.00 0.00 H new ATOM 0 HG SER A 579 19.597 -11.989 12.634 1.00 0.00 H new ATOM 708 N GLY A 580 18.291 -11.480 17.646 1.00 0.00 N ATOM 709 CA GLY A 580 18.718 -11.630 19.040 1.00 0.00 C ATOM 710 C GLY A 580 20.234 -11.815 19.185 1.00 0.00 C ATOM 711 O GLY A 580 20.695 -12.457 20.133 1.00 0.00 O ATOM 0 H GLY A 580 18.147 -10.509 17.370 1.00 0.00 H new ATOM 0 HA2 GLY A 580 18.409 -10.751 19.606 1.00 0.00 H new ATOM 0 HA3 GLY A 580 18.209 -12.488 19.480 1.00 0.00 H new ATOM 715 N GLU A 581 21.011 -11.295 18.230 1.00 0.00 N ATOM 716 CA GLU A 581 22.466 -11.476 18.094 1.00 0.00 C ATOM 717 C GLU A 581 23.133 -10.142 17.721 1.00 0.00 C ATOM 718 O GLU A 581 22.468 -9.227 17.241 1.00 0.00 O ATOM 719 CB GLU A 581 22.764 -12.526 17.004 1.00 0.00 C ATOM 720 CG GLU A 581 22.198 -13.941 17.235 1.00 0.00 C ATOM 721 CD GLU A 581 22.708 -14.643 18.514 1.00 0.00 C ATOM 722 OE1 GLU A 581 22.017 -15.574 19.002 1.00 0.00 O ATOM 723 OE2 GLU A 581 23.815 -14.329 19.014 1.00 0.00 O ATOM 0 H GLU A 581 20.626 -10.706 17.492 1.00 0.00 H new ATOM 0 HA GLU A 581 22.868 -11.821 19.047 1.00 0.00 H new ATOM 0 HB2 GLU A 581 22.374 -12.154 16.057 1.00 0.00 H new ATOM 0 HB3 GLU A 581 23.846 -12.606 16.894 1.00 0.00 H new ATOM 0 HG2 GLU A 581 21.111 -13.879 17.281 1.00 0.00 H new ATOM 0 HG3 GLU A 581 22.446 -14.561 16.374 1.00 0.00 H new ATOM 730 N TRP A 582 24.440 -10.005 17.921 1.00 0.00 N ATOM 731 CA TRP A 582 25.207 -8.817 17.525 1.00 0.00 C ATOM 732 C TRP A 582 25.891 -9.014 16.159 1.00 0.00 C ATOM 733 O TRP A 582 26.233 -10.134 15.792 1.00 0.00 O ATOM 734 CB TRP A 582 26.190 -8.444 18.642 1.00 0.00 C ATOM 735 CG TRP A 582 25.572 -7.889 19.898 1.00 0.00 C ATOM 736 CD1 TRP A 582 24.749 -8.552 20.741 1.00 0.00 C ATOM 737 CD2 TRP A 582 25.737 -6.560 20.488 1.00 0.00 C ATOM 738 NE1 TRP A 582 24.374 -7.736 21.792 1.00 0.00 N ATOM 739 CE2 TRP A 582 24.960 -6.497 21.690 1.00 0.00 C ATOM 740 CE3 TRP A 582 26.482 -5.406 20.155 1.00 0.00 C ATOM 741 CZ2 TRP A 582 24.904 -5.344 22.489 1.00 0.00 C ATOM 742 CZ3 TRP A 582 26.434 -4.246 20.946 1.00 0.00 C ATOM 743 CH2 TRP A 582 25.641 -4.205 22.103 1.00 0.00 C ATOM 0 H TRP A 582 25.009 -10.723 18.369 1.00 0.00 H new ATOM 0 HA TRP A 582 24.526 -7.977 17.391 1.00 0.00 H new ATOM 0 HB2 TRP A 582 26.767 -9.331 18.904 1.00 0.00 H new ATOM 0 HB3 TRP A 582 26.894 -7.710 18.251 1.00 0.00 H new ATOM 0 HD1 TRP A 582 24.429 -9.575 20.612 1.00 0.00 H new ATOM 0 HE1 TRP A 582 23.745 -8.017 22.544 1.00 0.00 H new ATOM 0 HE3 TRP A 582 27.103 -5.416 19.271 1.00 0.00 H new ATOM 0 HZ2 TRP A 582 24.305 -5.329 23.387 1.00 0.00 H new ATOM 0 HZ3 TRP A 582 27.012 -3.379 20.661 1.00 0.00 H new ATOM 0 HH2 TRP A 582 25.595 -3.304 22.696 1.00 0.00 H new ATOM 754 N VAL A 583 26.090 -7.933 15.400 1.00 0.00 N ATOM 755 CA VAL A 583 26.605 -7.945 14.019 1.00 0.00 C ATOM 756 C VAL A 583 27.669 -6.877 13.766 1.00 0.00 C ATOM 757 O VAL A 583 27.599 -5.763 14.282 1.00 0.00 O ATOM 758 CB VAL A 583 25.483 -7.796 12.969 1.00 0.00 C ATOM 759 CG1 VAL A 583 24.646 -9.068 12.855 1.00 0.00 C ATOM 760 CG2 VAL A 583 24.546 -6.605 13.190 1.00 0.00 C ATOM 0 H VAL A 583 25.892 -6.991 15.737 1.00 0.00 H new ATOM 0 HA VAL A 583 27.069 -8.925 13.908 1.00 0.00 H new ATOM 0 HB VAL A 583 26.020 -7.608 12.039 1.00 0.00 H new ATOM 0 HG11 VAL A 583 23.867 -8.925 12.107 1.00 0.00 H new ATOM 0 HG12 VAL A 583 25.286 -9.899 12.558 1.00 0.00 H new ATOM 0 HG13 VAL A 583 24.187 -9.289 13.819 1.00 0.00 H new ATOM 0 HG21 VAL A 583 23.792 -6.584 12.403 1.00 0.00 H new ATOM 0 HG22 VAL A 583 24.056 -6.702 14.159 1.00 0.00 H new ATOM 0 HG23 VAL A 583 25.122 -5.680 13.166 1.00 0.00 H new ATOM 770 N TRP A 584 28.648 -7.211 12.929 1.00 0.00 N ATOM 771 CA TRP A 584 29.658 -6.319 12.369 1.00 0.00 C ATOM 772 C TRP A 584 29.165 -5.771 11.026 1.00 0.00 C ATOM 773 O TRP A 584 29.148 -6.497 10.028 1.00 0.00 O ATOM 774 CB TRP A 584 30.951 -7.130 12.198 1.00 0.00 C ATOM 775 CG TRP A 584 31.794 -7.306 13.419 1.00 0.00 C ATOM 776 CD1 TRP A 584 32.241 -6.307 14.211 1.00 0.00 C ATOM 777 CD2 TRP A 584 32.370 -8.535 13.958 1.00 0.00 C ATOM 778 NE1 TRP A 584 33.008 -6.837 15.235 1.00 0.00 N ATOM 779 CE2 TRP A 584 33.167 -8.201 15.096 1.00 0.00 C ATOM 780 CE3 TRP A 584 32.293 -9.903 13.609 1.00 0.00 C ATOM 781 CZ2 TRP A 584 33.874 -9.168 15.825 1.00 0.00 C ATOM 782 CZ3 TRP A 584 32.999 -10.883 14.338 1.00 0.00 C ATOM 783 CH2 TRP A 584 33.789 -10.514 15.442 1.00 0.00 C ATOM 0 H TRP A 584 28.764 -8.171 12.604 1.00 0.00 H new ATOM 0 HA TRP A 584 29.845 -5.469 13.026 1.00 0.00 H new ATOM 0 HB2 TRP A 584 30.687 -8.118 11.821 1.00 0.00 H new ATOM 0 HB3 TRP A 584 31.557 -6.648 11.431 1.00 0.00 H new ATOM 0 HD1 TRP A 584 32.032 -5.257 14.068 1.00 0.00 H new ATOM 0 HE1 TRP A 584 33.406 -6.288 15.997 1.00 0.00 H new ATOM 0 HE3 TRP A 584 31.683 -10.203 12.770 1.00 0.00 H new ATOM 0 HZ2 TRP A 584 34.478 -8.879 16.673 1.00 0.00 H new ATOM 0 HZ3 TRP A 584 32.933 -11.921 14.047 1.00 0.00 H new ATOM 0 HH2 TRP A 584 34.330 -11.268 15.995 1.00 0.00 H new ATOM 794 N LYS A 585 28.740 -4.502 10.999 1.00 0.00 N ATOM 795 CA LYS A 585 28.263 -3.800 9.788 1.00 0.00 C ATOM 796 C LYS A 585 29.417 -3.432 8.840 1.00 0.00 C ATOM 797 O LYS A 585 30.549 -3.248 9.291 1.00 0.00 O ATOM 798 CB LYS A 585 27.492 -2.532 10.204 1.00 0.00 C ATOM 799 CG LYS A 585 26.211 -2.782 11.021 1.00 0.00 C ATOM 800 CD LYS A 585 25.120 -3.538 10.238 1.00 0.00 C ATOM 801 CE LYS A 585 23.805 -3.542 11.026 1.00 0.00 C ATOM 802 NZ LYS A 585 22.710 -4.198 10.256 1.00 0.00 N ATOM 0 H LYS A 585 28.715 -3.917 11.834 1.00 0.00 H new ATOM 0 HA LYS A 585 27.604 -4.476 9.244 1.00 0.00 H new ATOM 0 HB2 LYS A 585 28.158 -1.896 10.788 1.00 0.00 H new ATOM 0 HB3 LYS A 585 27.227 -1.976 9.305 1.00 0.00 H new ATOM 0 HG2 LYS A 585 26.465 -3.351 11.915 1.00 0.00 H new ATOM 0 HG3 LYS A 585 25.810 -1.825 11.355 1.00 0.00 H new ATOM 0 HD2 LYS A 585 24.968 -3.068 9.267 1.00 0.00 H new ATOM 0 HD3 LYS A 585 25.442 -4.562 10.049 1.00 0.00 H new ATOM 0 HE2 LYS A 585 23.948 -4.063 11.973 1.00 0.00 H new ATOM 0 HE3 LYS A 585 23.520 -2.518 11.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 585 21.834 -4.184 10.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 585 22.558 -3.686 9.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 585 22.973 -5.183 10.049 1.00 0.00 H new ATOM 816 N ASN A 586 29.141 -3.326 7.532 1.00 0.00 N ATOM 817 CA ASN A 586 30.123 -3.031 6.469 1.00 0.00 C ATOM 818 C ASN A 586 31.316 -4.020 6.475 1.00 0.00 C ATOM 819 O ASN A 586 32.424 -3.643 6.107 1.00 0.00 O ATOM 820 CB ASN A 586 30.508 -1.531 6.571 1.00 0.00 C ATOM 821 CG ASN A 586 31.180 -0.849 5.380 1.00 0.00 C ATOM 822 OD1 ASN A 586 31.349 0.365 5.383 1.00 0.00 O ATOM 823 ND2 ASN A 586 31.567 -1.506 4.317 1.00 0.00 N ATOM 0 H ASN A 586 28.196 -3.447 7.169 1.00 0.00 H new ATOM 0 HA ASN A 586 29.683 -3.191 5.485 1.00 0.00 H new ATOM 0 HB2 ASN A 586 29.599 -0.974 6.797 1.00 0.00 H new ATOM 0 HB3 ASN A 586 31.171 -1.421 7.429 1.00 0.00 H new ATOM 0 HD21 ASN A 586 31.990 -1.007 3.535 1.00 0.00 H new ATOM 0 HD22 ASN A 586 31.446 -2.518 4.271 1.00 0.00 H new ATOM 830 N THR A 587 31.110 -5.271 6.907 1.00 0.00 N ATOM 831 CA THR A 587 32.186 -6.252 7.183 1.00 0.00 C ATOM 832 C THR A 587 32.005 -7.565 6.412 1.00 0.00 C ATOM 833 O THR A 587 30.886 -8.003 6.160 1.00 0.00 O ATOM 834 CB THR A 587 32.304 -6.529 8.694 1.00 0.00 C ATOM 835 OG1 THR A 587 32.517 -5.325 9.393 1.00 0.00 O ATOM 836 CG2 THR A 587 33.476 -7.416 9.124 1.00 0.00 C ATOM 0 H THR A 587 30.176 -5.644 7.080 1.00 0.00 H new ATOM 0 HA THR A 587 33.113 -5.800 6.831 1.00 0.00 H new ATOM 0 HB THR A 587 31.367 -7.037 8.921 1.00 0.00 H new ATOM 0 HG1 THR A 587 31.734 -4.745 9.292 1.00 0.00 H new ATOM 0 HG21 THR A 587 33.459 -7.542 10.207 1.00 0.00 H new ATOM 0 HG22 THR A 587 33.390 -8.391 8.644 1.00 0.00 H new ATOM 0 HG23 THR A 587 34.415 -6.947 8.828 1.00 0.00 H new ATOM 844 N ILE A 588 33.126 -8.208 6.077 1.00 0.00 N ATOM 845 CA ILE A 588 33.254 -9.495 5.390 1.00 0.00 C ATOM 846 C ILE A 588 34.331 -10.361 6.070 1.00 0.00 C ATOM 847 O ILE A 588 35.336 -9.848 6.566 1.00 0.00 O ATOM 848 CB ILE A 588 33.532 -9.265 3.880 1.00 0.00 C ATOM 849 CG1 ILE A 588 33.713 -10.598 3.124 1.00 0.00 C ATOM 850 CG2 ILE A 588 34.778 -8.398 3.621 1.00 0.00 C ATOM 851 CD1 ILE A 588 33.718 -10.444 1.603 1.00 0.00 C ATOM 0 H ILE A 588 34.039 -7.811 6.296 1.00 0.00 H new ATOM 0 HA ILE A 588 32.316 -10.046 5.464 1.00 0.00 H new ATOM 0 HB ILE A 588 32.653 -8.737 3.510 1.00 0.00 H new ATOM 0 HG12 ILE A 588 34.650 -11.059 3.437 1.00 0.00 H new ATOM 0 HG13 ILE A 588 32.911 -11.279 3.409 1.00 0.00 H new ATOM 0 HG21 ILE A 588 34.918 -8.274 2.547 1.00 0.00 H new ATOM 0 HG22 ILE A 588 34.644 -7.421 4.085 1.00 0.00 H new ATOM 0 HG23 ILE A 588 35.655 -8.885 4.048 1.00 0.00 H new ATOM 0 HD11 ILE A 588 33.849 -11.421 1.139 1.00 0.00 H new ATOM 0 HD12 ILE A 588 32.772 -10.012 1.278 1.00 0.00 H new ATOM 0 HD13 ILE A 588 34.537 -9.789 1.306 1.00 0.00 H new ATOM 863 N GLU A 589 34.132 -11.680 6.098 1.00 0.00 N ATOM 864 CA GLU A 589 35.140 -12.669 6.506 1.00 0.00 C ATOM 865 C GLU A 589 35.641 -13.436 5.270 1.00 0.00 C ATOM 866 O GLU A 589 34.854 -14.026 4.527 1.00 0.00 O ATOM 867 CB GLU A 589 34.549 -13.616 7.566 1.00 0.00 C ATOM 868 CG GLU A 589 35.617 -14.553 8.157 1.00 0.00 C ATOM 869 CD GLU A 589 35.074 -15.591 9.167 1.00 0.00 C ATOM 870 OE1 GLU A 589 33.849 -15.869 9.207 1.00 0.00 O ATOM 871 OE2 GLU A 589 35.901 -16.187 9.898 1.00 0.00 O ATOM 0 H GLU A 589 33.244 -12.104 5.831 1.00 0.00 H new ATOM 0 HA GLU A 589 35.994 -12.163 6.956 1.00 0.00 H new ATOM 0 HB2 GLU A 589 34.098 -13.029 8.366 1.00 0.00 H new ATOM 0 HB3 GLU A 589 33.752 -14.210 7.118 1.00 0.00 H new ATOM 0 HG2 GLU A 589 36.109 -15.082 7.341 1.00 0.00 H new ATOM 0 HG3 GLU A 589 36.379 -13.949 8.650 1.00 0.00 H new ATOM 878 N VAL A 590 36.953 -13.415 5.035 1.00 0.00 N ATOM 879 CA VAL A 590 37.608 -14.036 3.871 1.00 0.00 C ATOM 880 C VAL A 590 39.084 -14.315 4.171 1.00 0.00 C ATOM 881 O VAL A 590 39.724 -13.587 4.928 1.00 0.00 O ATOM 882 CB VAL A 590 37.401 -13.178 2.602 1.00 0.00 C ATOM 883 CG1 VAL A 590 37.898 -11.735 2.740 1.00 0.00 C ATOM 884 CG2 VAL A 590 38.042 -13.790 1.347 1.00 0.00 C ATOM 0 H VAL A 590 37.612 -12.955 5.663 1.00 0.00 H new ATOM 0 HA VAL A 590 37.141 -15.000 3.671 1.00 0.00 H new ATOM 0 HB VAL A 590 36.317 -13.163 2.485 1.00 0.00 H new ATOM 0 HG11 VAL A 590 37.718 -11.198 1.809 1.00 0.00 H new ATOM 0 HG12 VAL A 590 37.364 -11.242 3.553 1.00 0.00 H new ATOM 0 HG13 VAL A 590 38.966 -11.737 2.957 1.00 0.00 H new ATOM 0 HG21 VAL A 590 37.861 -13.139 0.492 1.00 0.00 H new ATOM 0 HG22 VAL A 590 39.116 -13.895 1.501 1.00 0.00 H new ATOM 0 HG23 VAL A 590 37.605 -14.770 1.156 1.00 0.00 H new ATOM 894 N ASN A 591 39.629 -15.404 3.613 1.00 0.00 N ATOM 895 CA ASN A 591 41.004 -15.876 3.864 1.00 0.00 C ATOM 896 C ASN A 591 41.319 -16.041 5.373 1.00 0.00 C ATOM 897 O ASN A 591 42.423 -15.743 5.834 1.00 0.00 O ATOM 898 CB ASN A 591 41.984 -14.985 3.066 1.00 0.00 C ATOM 899 CG ASN A 591 43.362 -15.599 2.909 1.00 0.00 C ATOM 900 OD1 ASN A 591 44.356 -15.084 3.406 1.00 0.00 O ATOM 901 ND2 ASN A 591 43.472 -16.705 2.211 1.00 0.00 N ATOM 0 H ASN A 591 39.118 -15.997 2.959 1.00 0.00 H new ATOM 0 HA ASN A 591 41.127 -16.894 3.494 1.00 0.00 H new ATOM 0 HB2 ASN A 591 41.566 -14.791 2.078 1.00 0.00 H new ATOM 0 HB3 ASN A 591 42.078 -14.022 3.567 1.00 0.00 H new ATOM 0 HD21 ASN A 591 44.387 -17.137 2.081 1.00 0.00 H new ATOM 0 HD22 ASN A 591 42.643 -17.132 1.798 1.00 0.00 H new ATOM 908 N GLY A 592 40.317 -16.463 6.158 1.00 0.00 N ATOM 909 CA GLY A 592 40.394 -16.650 7.614 1.00 0.00 C ATOM 910 C GLY A 592 40.534 -15.365 8.443 1.00 0.00 C ATOM 911 O GLY A 592 40.884 -15.446 9.624 1.00 0.00 O ATOM 0 H GLY A 592 39.397 -16.692 5.782 1.00 0.00 H new ATOM 0 HA2 GLY A 592 39.498 -17.177 7.942 1.00 0.00 H new ATOM 0 HA3 GLY A 592 41.243 -17.297 7.834 1.00 0.00 H new ATOM 915 N LYS A 593 40.284 -14.190 7.847 1.00 0.00 N ATOM 916 CA LYS A 593 40.453 -12.857 8.456 1.00 0.00 C ATOM 917 C LYS A 593 39.231 -11.965 8.202 1.00 0.00 C ATOM 918 O LYS A 593 38.488 -12.170 7.243 1.00 0.00 O ATOM 919 CB LYS A 593 41.737 -12.205 7.910 1.00 0.00 C ATOM 920 CG LYS A 593 43.021 -12.890 8.411 1.00 0.00 C ATOM 921 CD LYS A 593 44.298 -12.297 7.795 1.00 0.00 C ATOM 922 CE LYS A 593 44.464 -12.584 6.292 1.00 0.00 C ATOM 923 NZ LYS A 593 44.645 -14.031 6.005 1.00 0.00 N ATOM 0 H LYS A 593 39.944 -14.137 6.887 1.00 0.00 H new ATOM 0 HA LYS A 593 40.543 -12.974 9.536 1.00 0.00 H new ATOM 0 HB2 LYS A 593 41.718 -12.235 6.821 1.00 0.00 H new ATOM 0 HB3 LYS A 593 41.756 -11.154 8.200 1.00 0.00 H new ATOM 0 HG2 LYS A 593 43.073 -12.802 9.496 1.00 0.00 H new ATOM 0 HG3 LYS A 593 42.973 -13.954 8.179 1.00 0.00 H new ATOM 0 HD2 LYS A 593 44.296 -11.218 7.950 1.00 0.00 H new ATOM 0 HD3 LYS A 593 45.163 -12.693 8.327 1.00 0.00 H new ATOM 0 HE2 LYS A 593 43.588 -12.218 5.757 1.00 0.00 H new ATOM 0 HE3 LYS A 593 45.324 -12.031 5.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 593 44.752 -14.171 4.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 593 45.496 -14.378 6.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 593 43.814 -14.558 6.341 1.00 0.00 H new ATOM 937 N TYR A 594 39.037 -10.961 9.054 1.00 0.00 N ATOM 938 CA TYR A 594 38.011 -9.930 8.858 1.00 0.00 C ATOM 939 C TYR A 594 38.521 -8.723 8.083 1.00 0.00 C ATOM 940 O TYR A 594 39.675 -8.312 8.213 1.00 0.00 O ATOM 941 CB TYR A 594 37.431 -9.473 10.187 1.00 0.00 C ATOM 942 CG TYR A 594 36.646 -10.570 10.867 1.00 0.00 C ATOM 943 CD1 TYR A 594 35.360 -10.877 10.381 1.00 0.00 C ATOM 944 CD2 TYR A 594 37.213 -11.322 11.913 1.00 0.00 C ATOM 945 CE1 TYR A 594 34.637 -11.938 10.946 1.00 0.00 C ATOM 946 CE2 TYR A 594 36.479 -12.379 12.488 1.00 0.00 C ATOM 947 CZ TYR A 594 35.187 -12.691 12.006 1.00 0.00 C ATOM 948 OH TYR A 594 34.485 -13.729 12.543 1.00 0.00 O ATOM 0 H TYR A 594 39.587 -10.836 9.904 1.00 0.00 H new ATOM 0 HA TYR A 594 37.229 -10.399 8.260 1.00 0.00 H new ATOM 0 HB2 TYR A 594 38.238 -9.145 10.842 1.00 0.00 H new ATOM 0 HB3 TYR A 594 36.784 -8.611 10.023 1.00 0.00 H new ATOM 0 HD1 TYR A 594 34.932 -10.298 9.576 1.00 0.00 H new ATOM 0 HD2 TYR A 594 38.205 -11.090 12.273 1.00 0.00 H new ATOM 0 HE1 TYR A 594 33.655 -12.180 10.568 1.00 0.00 H new ATOM 0 HE2 TYR A 594 36.904 -12.952 13.299 1.00 0.00 H new ATOM 0 HH TYR A 594 35.008 -14.141 13.262 1.00 0.00 H new ATOM 958 N PHE A 595 37.612 -8.135 7.313 1.00 0.00 N ATOM 959 CA PHE A 595 37.846 -7.020 6.398 1.00 0.00 C ATOM 960 C PHE A 595 36.575 -6.173 6.266 1.00 0.00 C ATOM 961 O PHE A 595 35.473 -6.653 6.534 1.00 0.00 O ATOM 962 CB PHE A 595 38.229 -7.599 5.028 1.00 0.00 C ATOM 963 CG PHE A 595 39.592 -8.257 4.932 1.00 0.00 C ATOM 964 CD1 PHE A 595 39.710 -9.660 4.965 1.00 0.00 C ATOM 965 CD2 PHE A 595 40.742 -7.467 4.764 1.00 0.00 C ATOM 966 CE1 PHE A 595 40.967 -10.268 4.815 1.00 0.00 C ATOM 967 CE2 PHE A 595 42.003 -8.080 4.620 1.00 0.00 C ATOM 968 CZ PHE A 595 42.115 -9.480 4.648 1.00 0.00 C ATOM 0 H PHE A 595 36.638 -8.439 7.309 1.00 0.00 H new ATOM 0 HA PHE A 595 38.646 -6.385 6.778 1.00 0.00 H new ATOM 0 HB2 PHE A 595 37.475 -8.333 4.744 1.00 0.00 H new ATOM 0 HB3 PHE A 595 38.185 -6.795 4.293 1.00 0.00 H new ATOM 0 HD1 PHE A 595 38.830 -10.271 5.106 1.00 0.00 H new ATOM 0 HD2 PHE A 595 40.660 -6.390 4.745 1.00 0.00 H new ATOM 0 HE1 PHE A 595 41.050 -11.345 4.828 1.00 0.00 H new ATOM 0 HE2 PHE A 595 42.886 -7.472 4.488 1.00 0.00 H new ATOM 0 HZ PHE A 595 43.082 -9.948 4.541 1.00 0.00 H new ATOM 978 N HIS A 596 36.693 -4.927 5.805 1.00 0.00 N ATOM 979 CA HIS A 596 35.517 -4.152 5.387 1.00 0.00 C ATOM 980 C HIS A 596 35.046 -4.679 4.028 1.00 0.00 C ATOM 981 O HIS A 596 35.866 -4.949 3.143 1.00 0.00 O ATOM 982 CB HIS A 596 35.847 -2.669 5.256 1.00 0.00 C ATOM 983 CG HIS A 596 35.988 -1.872 6.523 1.00 0.00 C ATOM 984 ND1 HIS A 596 37.171 -1.223 6.838 1.00 0.00 N ATOM 985 CD2 HIS A 596 35.035 -1.574 7.452 1.00 0.00 C ATOM 986 CE1 HIS A 596 36.916 -0.525 7.955 1.00 0.00 C ATOM 987 NE2 HIS A 596 35.643 -0.727 8.353 1.00 0.00 N ATOM 0 H HIS A 596 37.581 -4.434 5.711 1.00 0.00 H new ATOM 0 HA HIS A 596 34.739 -4.263 6.142 1.00 0.00 H new ATOM 0 HB2 HIS A 596 36.779 -2.580 4.698 1.00 0.00 H new ATOM 0 HB3 HIS A 596 35.068 -2.204 4.652 1.00 0.00 H new ATOM 0 HD2 HIS A 596 34.015 -1.928 7.476 1.00 0.00 H new ATOM 0 HE1 HIS A 596 37.628 0.108 8.463 1.00 0.00 H new ATOM 0 HE2 HIS A 596 35.205 -0.322 9.180 1.00 0.00 H new ATOM 995 N SER A 597 33.730 -4.800 3.835 1.00 0.00 N ATOM 996 CA SER A 597 33.131 -5.243 2.570 1.00 0.00 C ATOM 997 C SER A 597 33.500 -4.308 1.404 1.00 0.00 C ATOM 998 O SER A 597 33.838 -4.777 0.315 1.00 0.00 O ATOM 999 CB SER A 597 31.611 -5.369 2.744 1.00 0.00 C ATOM 1000 OG SER A 597 31.035 -4.151 3.202 1.00 0.00 O ATOM 0 H SER A 597 33.042 -4.591 4.559 1.00 0.00 H new ATOM 0 HA SER A 597 33.536 -6.222 2.313 1.00 0.00 H new ATOM 0 HB2 SER A 597 31.157 -5.652 1.794 1.00 0.00 H new ATOM 0 HB3 SER A 597 31.390 -6.166 3.453 1.00 0.00 H new ATOM 0 HG SER A 597 30.165 -4.019 2.772 1.00 0.00 H new ATOM 1006 N THR A 598 33.514 -2.993 1.647 1.00 0.00 N ATOM 1007 CA THR A 598 33.906 -1.944 0.686 1.00 0.00 C ATOM 1008 C THR A 598 35.416 -1.924 0.397 1.00 0.00 C ATOM 1009 O THR A 598 35.809 -1.720 -0.751 1.00 0.00 O ATOM 1010 CB THR A 598 33.452 -0.562 1.199 1.00 0.00 C ATOM 1011 OG1 THR A 598 33.733 -0.416 2.577 1.00 0.00 O ATOM 1012 CG2 THR A 598 31.947 -0.341 1.043 1.00 0.00 C ATOM 0 H THR A 598 33.243 -2.610 2.553 1.00 0.00 H new ATOM 0 HA THR A 598 33.407 -2.178 -0.254 1.00 0.00 H new ATOM 0 HB THR A 598 34.000 0.162 0.596 1.00 0.00 H new ATOM 0 HG1 THR A 598 33.438 0.468 2.879 1.00 0.00 H new ATOM 0 HG21 THR A 598 31.683 0.647 1.420 1.00 0.00 H new ATOM 0 HG22 THR A 598 31.676 -0.412 -0.010 1.00 0.00 H new ATOM 0 HG23 THR A 598 31.407 -1.101 1.608 1.00 0.00 H new ATOM 1020 N CYS A 599 36.270 -2.186 1.399 1.00 0.00 N ATOM 1021 CA CYS A 599 37.722 -2.307 1.238 1.00 0.00 C ATOM 1022 C CYS A 599 38.086 -3.518 0.354 1.00 0.00 C ATOM 1023 O CYS A 599 38.704 -3.357 -0.701 1.00 0.00 O ATOM 1024 CB CYS A 599 38.383 -2.389 2.628 1.00 0.00 C ATOM 1025 SG CYS A 599 38.341 -0.793 3.513 1.00 0.00 S ATOM 0 H CYS A 599 35.961 -2.322 2.362 1.00 0.00 H new ATOM 0 HA CYS A 599 38.103 -1.424 0.725 1.00 0.00 H new ATOM 0 HB2 CYS A 599 37.875 -3.146 3.225 1.00 0.00 H new ATOM 0 HB3 CYS A 599 39.418 -2.713 2.517 1.00 0.00 H new ATOM 0 HG CYS A 599 38.113 -1.003 4.776 1.00 0.00 H new ATOM 1030 N TYR A 600 37.684 -4.724 0.778 1.00 0.00 N ATOM 1031 CA TYR A 600 37.992 -5.986 0.097 1.00 0.00 C ATOM 1032 C TYR A 600 37.598 -5.980 -1.393 1.00 0.00 C ATOM 1033 O TYR A 600 38.378 -6.422 -2.243 1.00 0.00 O ATOM 1034 CB TYR A 600 37.301 -7.127 0.855 1.00 0.00 C ATOM 1035 CG TYR A 600 37.313 -8.441 0.095 1.00 0.00 C ATOM 1036 CD1 TYR A 600 38.489 -9.220 0.052 1.00 0.00 C ATOM 1037 CD2 TYR A 600 36.172 -8.841 -0.624 1.00 0.00 C ATOM 1038 CE1 TYR A 600 38.517 -10.403 -0.714 1.00 0.00 C ATOM 1039 CE2 TYR A 600 36.195 -10.031 -1.380 1.00 0.00 C ATOM 1040 CZ TYR A 600 37.371 -10.813 -1.430 1.00 0.00 C ATOM 1041 OH TYR A 600 37.404 -11.952 -2.179 1.00 0.00 O ATOM 0 H TYR A 600 37.124 -4.850 1.621 1.00 0.00 H new ATOM 0 HA TYR A 600 39.073 -6.128 0.107 1.00 0.00 H new ATOM 0 HB2 TYR A 600 37.794 -7.266 1.817 1.00 0.00 H new ATOM 0 HB3 TYR A 600 36.269 -6.844 1.063 1.00 0.00 H new ATOM 0 HD1 TYR A 600 39.364 -8.911 0.604 1.00 0.00 H new ATOM 0 HD2 TYR A 600 35.278 -8.236 -0.597 1.00 0.00 H new ATOM 0 HE1 TYR A 600 39.418 -10.998 -0.753 1.00 0.00 H new ATOM 0 HE2 TYR A 600 35.314 -10.345 -1.921 1.00 0.00 H new ATOM 0 HH TYR A 600 36.532 -12.089 -2.605 1.00 0.00 H new ATOM 1051 N HIS A 601 36.428 -5.420 -1.720 1.00 0.00 N ATOM 1052 CA HIS A 601 35.882 -5.379 -3.081 1.00 0.00 C ATOM 1053 C HIS A 601 36.746 -4.617 -4.103 1.00 0.00 C ATOM 1054 O HIS A 601 36.810 -5.014 -5.267 1.00 0.00 O ATOM 1055 CB HIS A 601 34.459 -4.796 -2.999 1.00 0.00 C ATOM 1056 CG HIS A 601 33.715 -4.767 -4.311 1.00 0.00 C ATOM 1057 ND1 HIS A 601 33.169 -5.885 -4.952 1.00 0.00 N ATOM 1058 CD2 HIS A 601 33.407 -3.649 -5.035 1.00 0.00 C ATOM 1059 CE1 HIS A 601 32.561 -5.414 -6.053 1.00 0.00 C ATOM 1060 NE2 HIS A 601 32.685 -4.079 -6.125 1.00 0.00 N ATOM 0 H HIS A 601 35.822 -4.974 -1.032 1.00 0.00 H new ATOM 0 HA HIS A 601 35.871 -6.399 -3.464 1.00 0.00 H new ATOM 0 HB2 HIS A 601 33.882 -5.380 -2.282 1.00 0.00 H new ATOM 0 HB3 HIS A 601 34.519 -3.780 -2.608 1.00 0.00 H new ATOM 0 HD2 HIS A 601 33.677 -2.630 -4.799 1.00 0.00 H new ATOM 0 HE1 HIS A 601 32.044 -6.024 -6.779 1.00 0.00 H new ATOM 0 HE2 HIS A 601 32.308 -3.484 -6.863 1.00 0.00 H new ATOM 1068 N GLU A 602 37.432 -3.551 -3.680 1.00 0.00 N ATOM 1069 CA GLU A 602 38.234 -2.683 -4.559 1.00 0.00 C ATOM 1070 C GLU A 602 39.757 -2.938 -4.483 1.00 0.00 C ATOM 1071 O GLU A 602 40.496 -2.548 -5.389 1.00 0.00 O ATOM 1072 CB GLU A 602 37.887 -1.224 -4.196 1.00 0.00 C ATOM 1073 CG GLU A 602 38.553 -0.124 -5.041 1.00 0.00 C ATOM 1074 CD GLU A 602 38.332 -0.258 -6.565 1.00 0.00 C ATOM 1075 OE1 GLU A 602 39.227 0.150 -7.344 1.00 0.00 O ATOM 1076 OE2 GLU A 602 37.249 -0.720 -7.004 1.00 0.00 O ATOM 0 H GLU A 602 37.448 -3.259 -2.703 1.00 0.00 H new ATOM 0 HA GLU A 602 37.980 -2.908 -5.595 1.00 0.00 H new ATOM 0 HB2 GLU A 602 36.806 -1.103 -4.271 1.00 0.00 H new ATOM 0 HB3 GLU A 602 38.155 -1.060 -3.152 1.00 0.00 H new ATOM 0 HG2 GLU A 602 38.173 0.845 -4.716 1.00 0.00 H new ATOM 0 HG3 GLU A 602 39.624 -0.130 -4.841 1.00 0.00 H new ATOM 1083 N THR A 603 40.244 -3.590 -3.422 1.00 0.00 N ATOM 1084 CA THR A 603 41.690 -3.666 -3.112 1.00 0.00 C ATOM 1085 C THR A 603 42.507 -4.658 -3.952 1.00 0.00 C ATOM 1086 O THR A 603 43.689 -4.404 -4.208 1.00 0.00 O ATOM 1087 CB THR A 603 41.898 -3.919 -1.605 1.00 0.00 C ATOM 1088 OG1 THR A 603 41.438 -2.786 -0.902 1.00 0.00 O ATOM 1089 CG2 THR A 603 43.347 -4.128 -1.158 1.00 0.00 C ATOM 0 H THR A 603 39.655 -4.082 -2.750 1.00 0.00 H new ATOM 0 HA THR A 603 42.087 -2.691 -3.395 1.00 0.00 H new ATOM 0 HB THR A 603 41.358 -4.843 -1.397 1.00 0.00 H new ATOM 0 HG1 THR A 603 40.471 -2.858 -0.762 1.00 0.00 H new ATOM 0 HG21 THR A 603 43.375 -4.297 -0.082 1.00 0.00 H new ATOM 0 HG22 THR A 603 43.765 -4.993 -1.672 1.00 0.00 H new ATOM 0 HG23 THR A 603 43.934 -3.243 -1.402 1.00 0.00 H new