USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 441 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 586 ASN : amide:sc= 0.6 K(o=1.3,f=-2.5!) USER MOD Set 1.2: A 598 THR OG1 : rot 170:sc= 0.717 USER MOD Set 2.1: A 563 LYS NZ :NH3+ 174:sc= 0.487 (180deg=0) USER MOD Set 2.2: A 570 THR OG1 : rot 180:sc= 0.448 USER MOD Set 3.1: A 564 CYS SG : rot 161:sc= 0.418 USER MOD Set 3.2: A 567 CYS SG : rot -64:sc= -0.406 USER MOD Set 3.3: A 596 HIS : no HD1:sc= 0.125 K(o=-0.59,f=-1.7) USER MOD Set 3.4: A 599 CYS SG : rot 143:sc= -0.729 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=-0.00605 X(o=-0.0061,f=0) USER MOD Single : A 560 MET CE :methyl 154:sc= 0 (180deg=-0.442) USER MOD Single : A 568 LYS NZ :NH3+ 180:sc= 0 (180deg=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+ 177:sc= 1.2 (180deg=1.2) USER MOD Single : A 587 THR OG1 : rot 65:sc= 0.0344 USER MOD Single : A 591 ASN : amide:sc=-0.00534 K(o=-0.0053,f=-0.68) USER MOD Single : A 593 LYS NZ :NH3+ -156:sc= 1.12 (180deg=0.749) USER MOD Single : A 594 TYR OH : rot 180:sc= 0 USER MOD Single : A 597 SER OG : rot 120: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 91:sc= 0.544 USER MOD ----------------------------------------------------------------- ATOM 184 N ILE A 546 26.458 -2.990 -0.946 1.00 0.00 N ATOM 185 CA ILE A 546 27.541 -3.716 -0.255 1.00 0.00 C ATOM 186 C ILE A 546 27.509 -3.463 1.264 1.00 0.00 C ATOM 187 O ILE A 546 27.753 -4.375 2.058 1.00 0.00 O ATOM 188 CB ILE A 546 28.911 -3.300 -0.842 1.00 0.00 C ATOM 189 CG1 ILE A 546 29.028 -3.435 -2.379 1.00 0.00 C ATOM 190 CG2 ILE A 546 30.050 -4.065 -0.162 1.00 0.00 C ATOM 191 CD1 ILE A 546 29.092 -4.880 -2.887 1.00 0.00 C ATOM 0 HA ILE A 546 27.390 -4.784 -0.415 1.00 0.00 H new ATOM 0 HB ILE A 546 28.993 -2.234 -0.630 1.00 0.00 H new ATOM 0 HG12 ILE A 546 28.175 -2.938 -2.841 1.00 0.00 H new ATOM 0 HG13 ILE A 546 29.922 -2.907 -2.710 1.00 0.00 H new ATOM 0 HG21 ILE A 546 31.003 -3.756 -0.591 1.00 0.00 H new ATOM 0 HG22 ILE A 546 30.046 -3.849 0.906 1.00 0.00 H new ATOM 0 HG23 ILE A 546 29.913 -5.135 -0.317 1.00 0.00 H new ATOM 0 HD11 ILE A 546 29.173 -4.880 -3.974 1.00 0.00 H new ATOM 0 HD12 ILE A 546 29.961 -5.378 -2.458 1.00 0.00 H new ATOM 0 HD13 ILE A 546 28.187 -5.410 -2.590 1.00 0.00 H new ATOM 203 N ARG A 547 27.126 -2.243 1.678 1.00 0.00 N ATOM 204 CA ARG A 547 27.027 -1.833 3.091 1.00 0.00 C ATOM 205 C ARG A 547 26.005 -2.668 3.887 1.00 0.00 C ATOM 206 O ARG A 547 26.119 -2.766 5.108 1.00 0.00 O ATOM 207 CB ARG A 547 26.701 -0.325 3.136 1.00 0.00 C ATOM 208 CG ARG A 547 26.881 0.297 4.527 1.00 0.00 C ATOM 209 CD ARG A 547 26.548 1.792 4.495 1.00 0.00 C ATOM 210 NE ARG A 547 26.679 2.393 5.839 1.00 0.00 N ATOM 211 CZ ARG A 547 25.924 3.336 6.375 1.00 0.00 C ATOM 212 NH1 ARG A 547 24.934 3.888 5.732 1.00 0.00 N ATOM 213 NH2 ARG A 547 26.154 3.751 7.590 1.00 0.00 N ATOM 0 H ARG A 547 26.871 -1.499 1.028 1.00 0.00 H new ATOM 0 HA ARG A 547 27.983 -2.019 3.580 1.00 0.00 H new ATOM 0 HB2 ARG A 547 27.342 0.199 2.426 1.00 0.00 H new ATOM 0 HB3 ARG A 547 25.672 -0.173 2.809 1.00 0.00 H new ATOM 0 HG2 ARG A 547 26.236 -0.210 5.244 1.00 0.00 H new ATOM 0 HG3 ARG A 547 27.907 0.154 4.865 1.00 0.00 H new ATOM 0 HD2 ARG A 547 27.214 2.302 3.798 1.00 0.00 H new ATOM 0 HD3 ARG A 547 25.532 1.934 4.127 1.00 0.00 H new ATOM 0 HE ARG A 547 27.439 2.039 6.419 1.00 0.00 H new ATOM 0 HH11 ARG A 547 24.718 3.595 4.779 1.00 0.00 H new ATOM 0 HH12 ARG A 547 24.375 4.613 6.182 1.00 0.00 H new ATOM 0 HH21 ARG A 547 26.919 3.348 8.130 1.00 0.00 H new ATOM 0 HH22 ARG A 547 25.569 4.479 8.000 1.00 0.00 H new ATOM 227 N GLY A 548 25.047 -3.307 3.206 1.00 0.00 N ATOM 228 CA GLY A 548 24.052 -4.207 3.808 1.00 0.00 C ATOM 229 C GLY A 548 24.598 -5.565 4.284 1.00 0.00 C ATOM 230 O GLY A 548 23.897 -6.274 5.009 1.00 0.00 O ATOM 0 H GLY A 548 24.938 -3.211 2.196 1.00 0.00 H new ATOM 0 HA2 GLY A 548 23.594 -3.700 4.657 1.00 0.00 H new ATOM 0 HA3 GLY A 548 23.261 -4.387 3.080 1.00 0.00 H new ATOM 234 N LYS A 549 25.840 -5.938 3.920 1.00 0.00 N ATOM 235 CA LYS A 549 26.526 -7.148 4.425 1.00 0.00 C ATOM 236 C LYS A 549 26.910 -7.021 5.906 1.00 0.00 C ATOM 237 O LYS A 549 27.272 -5.946 6.382 1.00 0.00 O ATOM 238 CB LYS A 549 27.773 -7.450 3.568 1.00 0.00 C ATOM 239 CG LYS A 549 27.479 -7.786 2.094 1.00 0.00 C ATOM 240 CD LYS A 549 26.685 -9.089 1.921 1.00 0.00 C ATOM 241 CE LYS A 549 26.558 -9.436 0.435 1.00 0.00 C ATOM 242 NZ LYS A 549 25.802 -10.697 0.226 1.00 0.00 N ATOM 0 H LYS A 549 26.404 -5.403 3.259 1.00 0.00 H new ATOM 0 HA LYS A 549 25.825 -7.979 4.345 1.00 0.00 H new ATOM 0 HB2 LYS A 549 28.438 -6.587 3.603 1.00 0.00 H new ATOM 0 HB3 LYS A 549 28.311 -8.286 4.016 1.00 0.00 H new ATOM 0 HG2 LYS A 549 26.921 -6.965 1.645 1.00 0.00 H new ATOM 0 HG3 LYS A 549 28.421 -7.866 1.551 1.00 0.00 H new ATOM 0 HD2 LYS A 549 27.184 -9.901 2.450 1.00 0.00 H new ATOM 0 HD3 LYS A 549 25.694 -8.982 2.363 1.00 0.00 H new ATOM 0 HE2 LYS A 549 26.057 -8.621 -0.087 1.00 0.00 H new ATOM 0 HE3 LYS A 549 27.552 -9.531 -0.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 549 25.737 -10.898 -0.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 549 26.294 -11.480 0.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 549 24.845 -10.598 0.621 1.00 0.00 H new ATOM 256 N TYR A 550 26.873 -8.136 6.634 1.00 0.00 N ATOM 257 CA TYR A 550 27.366 -8.258 8.005 1.00 0.00 C ATOM 258 C TYR A 550 27.718 -9.709 8.356 1.00 0.00 C ATOM 259 O TYR A 550 27.322 -10.651 7.660 1.00 0.00 O ATOM 260 CB TYR A 550 26.341 -7.705 9.018 1.00 0.00 C ATOM 261 CG TYR A 550 24.971 -8.360 8.983 1.00 0.00 C ATOM 262 CD1 TYR A 550 23.939 -7.793 8.212 1.00 0.00 C ATOM 263 CD2 TYR A 550 24.717 -9.532 9.730 1.00 0.00 C ATOM 264 CE1 TYR A 550 22.667 -8.394 8.172 1.00 0.00 C ATOM 265 CE2 TYR A 550 23.441 -10.127 9.708 1.00 0.00 C ATOM 266 CZ TYR A 550 22.413 -9.565 8.920 1.00 0.00 C ATOM 267 OH TYR A 550 21.180 -10.142 8.865 1.00 0.00 O ATOM 0 H TYR A 550 26.486 -9.008 6.274 1.00 0.00 H new ATOM 0 HA TYR A 550 28.277 -7.663 8.067 1.00 0.00 H new ATOM 0 HB2 TYR A 550 26.752 -7.815 10.022 1.00 0.00 H new ATOM 0 HB3 TYR A 550 26.219 -6.637 8.839 1.00 0.00 H new ATOM 0 HD1 TYR A 550 24.124 -6.891 7.648 1.00 0.00 H new ATOM 0 HD2 TYR A 550 25.506 -9.974 10.321 1.00 0.00 H new ATOM 0 HE1 TYR A 550 21.884 -7.959 7.569 1.00 0.00 H new ATOM 0 HE2 TYR A 550 23.249 -11.014 10.294 1.00 0.00 H new ATOM 0 HH TYR A 550 21.166 -10.940 9.434 1.00 0.00 H new ATOM 277 N VAL A 551 28.431 -9.878 9.473 1.00 0.00 N ATOM 278 CA VAL A 551 28.705 -11.179 10.100 1.00 0.00 C ATOM 279 C VAL A 551 28.338 -11.125 11.584 1.00 0.00 C ATOM 280 O VAL A 551 28.646 -10.152 12.272 1.00 0.00 O ATOM 281 CB VAL A 551 30.158 -11.647 9.871 1.00 0.00 C ATOM 282 CG1 VAL A 551 30.307 -12.256 8.471 1.00 0.00 C ATOM 283 CG2 VAL A 551 31.221 -10.563 10.014 1.00 0.00 C ATOM 0 H VAL A 551 28.845 -9.096 9.981 1.00 0.00 H new ATOM 0 HA VAL A 551 28.078 -11.930 9.619 1.00 0.00 H new ATOM 0 HB VAL A 551 30.332 -12.376 10.663 1.00 0.00 H new ATOM 0 HG11 VAL A 551 31.337 -12.582 8.324 1.00 0.00 H new ATOM 0 HG12 VAL A 551 29.638 -13.111 8.373 1.00 0.00 H new ATOM 0 HG13 VAL A 551 30.052 -11.508 7.720 1.00 0.00 H new ATOM 0 HG21 VAL A 551 32.206 -10.993 9.834 1.00 0.00 H new ATOM 0 HG22 VAL A 551 31.033 -9.771 9.289 1.00 0.00 H new ATOM 0 HG23 VAL A 551 31.185 -10.148 11.021 1.00 0.00 H new ATOM 293 N VAL A 552 27.622 -12.137 12.092 1.00 0.00 N ATOM 294 CA VAL A 552 27.197 -12.207 13.508 1.00 0.00 C ATOM 295 C VAL A 552 28.415 -12.410 14.414 1.00 0.00 C ATOM 296 O VAL A 552 29.258 -13.259 14.128 1.00 0.00 O ATOM 297 CB VAL A 552 26.146 -13.321 13.714 1.00 0.00 C ATOM 298 CG1 VAL A 552 25.824 -13.618 15.182 1.00 0.00 C ATOM 299 CG2 VAL A 552 24.826 -12.945 13.021 1.00 0.00 C ATOM 0 H VAL A 552 27.317 -12.936 11.536 1.00 0.00 H new ATOM 0 HA VAL A 552 26.726 -11.262 13.780 1.00 0.00 H new ATOM 0 HB VAL A 552 26.596 -14.214 13.281 1.00 0.00 H new ATOM 0 HG11 VAL A 552 25.078 -14.411 15.238 1.00 0.00 H new ATOM 0 HG12 VAL A 552 26.731 -13.936 15.696 1.00 0.00 H new ATOM 0 HG13 VAL A 552 25.433 -12.719 15.658 1.00 0.00 H new ATOM 0 HG21 VAL A 552 24.095 -13.739 13.175 1.00 0.00 H new ATOM 0 HG22 VAL A 552 24.445 -12.015 13.443 1.00 0.00 H new ATOM 0 HG23 VAL A 552 25.000 -12.814 11.953 1.00 0.00 H new ATOM 309 N VAL A 553 28.525 -11.625 15.496 1.00 0.00 N ATOM 310 CA VAL A 553 29.651 -11.702 16.441 1.00 0.00 C ATOM 311 C VAL A 553 29.469 -12.890 17.405 1.00 0.00 C ATOM 312 O VAL A 553 28.483 -12.897 18.154 1.00 0.00 O ATOM 313 CB VAL A 553 29.857 -10.388 17.235 1.00 0.00 C ATOM 314 CG1 VAL A 553 31.150 -10.513 18.039 1.00 0.00 C ATOM 315 CG2 VAL A 553 29.995 -9.160 16.336 1.00 0.00 C ATOM 0 H VAL A 553 27.834 -10.916 15.742 1.00 0.00 H new ATOM 0 HA VAL A 553 30.551 -11.857 15.846 1.00 0.00 H new ATOM 0 HB VAL A 553 28.977 -10.250 17.864 1.00 0.00 H new ATOM 0 HG11 VAL A 553 31.315 -9.597 18.607 1.00 0.00 H new ATOM 0 HG12 VAL A 553 31.072 -11.356 18.725 1.00 0.00 H new ATOM 0 HG13 VAL A 553 31.987 -10.675 17.359 1.00 0.00 H new ATOM 0 HG21 VAL A 553 30.137 -8.272 16.952 1.00 0.00 H new ATOM 0 HG22 VAL A 553 30.854 -9.286 15.678 1.00 0.00 H new ATOM 0 HG23 VAL A 553 29.092 -9.045 15.736 1.00 0.00 H new ATOM 325 N PRO A 554 30.377 -13.885 17.439 1.00 0.00 N ATOM 326 CA PRO A 554 30.300 -15.004 18.374 1.00 0.00 C ATOM 327 C PRO A 554 30.794 -14.621 19.778 1.00 0.00 C ATOM 328 O PRO A 554 31.630 -13.735 19.933 1.00 0.00 O ATOM 329 CB PRO A 554 31.176 -16.089 17.751 1.00 0.00 C ATOM 330 CG PRO A 554 32.279 -15.288 17.076 1.00 0.00 C ATOM 331 CD PRO A 554 31.547 -14.039 16.582 1.00 0.00 C ATOM 0 HA PRO A 554 29.272 -15.335 18.520 1.00 0.00 H new ATOM 0 HB2 PRO A 554 31.574 -16.769 18.504 1.00 0.00 H new ATOM 0 HB3 PRO A 554 30.621 -16.695 17.035 1.00 0.00 H new ATOM 0 HG2 PRO A 554 33.079 -15.037 17.772 1.00 0.00 H new ATOM 0 HG3 PRO A 554 32.733 -15.841 16.254 1.00 0.00 H new ATOM 0 HD2 PRO A 554 32.191 -13.162 16.642 1.00 0.00 H new ATOM 0 HD3 PRO A 554 31.253 -14.148 15.538 1.00 0.00 H new ATOM 339 N GLU A 555 30.345 -15.344 20.807 1.00 0.00 N ATOM 340 CA GLU A 555 30.792 -15.124 22.194 1.00 0.00 C ATOM 341 C GLU A 555 32.276 -15.491 22.412 1.00 0.00 C ATOM 342 O GLU A 555 32.894 -15.049 23.385 1.00 0.00 O ATOM 343 CB GLU A 555 29.905 -15.919 23.166 1.00 0.00 C ATOM 344 CG GLU A 555 28.439 -15.438 23.143 1.00 0.00 C ATOM 345 CD GLU A 555 27.612 -16.115 24.252 1.00 0.00 C ATOM 346 OE1 GLU A 555 27.635 -15.634 25.416 1.00 0.00 O ATOM 347 OE2 GLU A 555 26.930 -17.140 23.984 1.00 0.00 O ATOM 0 H GLU A 555 29.664 -16.097 20.708 1.00 0.00 H new ATOM 0 HA GLU A 555 30.697 -14.056 22.392 1.00 0.00 H new ATOM 0 HB2 GLU A 555 29.943 -16.977 22.907 1.00 0.00 H new ATOM 0 HB3 GLU A 555 30.301 -15.824 24.177 1.00 0.00 H new ATOM 0 HG2 GLU A 555 28.407 -14.356 23.271 1.00 0.00 H new ATOM 0 HG3 GLU A 555 27.997 -15.657 22.171 1.00 0.00 H new ATOM 354 N THR A 556 32.874 -16.275 21.503 1.00 0.00 N ATOM 355 CA THR A 556 34.309 -16.614 21.491 1.00 0.00 C ATOM 356 C THR A 556 35.211 -15.452 21.031 1.00 0.00 C ATOM 357 O THR A 556 36.394 -15.421 21.380 1.00 0.00 O ATOM 358 CB THR A 556 34.567 -17.843 20.602 1.00 0.00 C ATOM 359 OG1 THR A 556 34.097 -17.595 19.295 1.00 0.00 O ATOM 360 CG2 THR A 556 33.868 -19.100 21.131 1.00 0.00 C ATOM 0 H THR A 556 32.360 -16.704 20.733 1.00 0.00 H new ATOM 0 HA THR A 556 34.572 -16.835 22.526 1.00 0.00 H new ATOM 0 HB THR A 556 35.643 -18.017 20.606 1.00 0.00 H new ATOM 0 HG1 THR A 556 34.265 -18.380 18.733 1.00 0.00 H new ATOM 0 HG21 THR A 556 34.080 -19.940 20.470 1.00 0.00 H new ATOM 0 HG22 THR A 556 34.234 -19.325 22.133 1.00 0.00 H new ATOM 0 HG23 THR A 556 32.792 -18.930 21.167 1.00 0.00 H new ATOM 368 N SER A 557 34.675 -14.484 20.273 1.00 0.00 N ATOM 369 CA SER A 557 35.397 -13.274 19.853 1.00 0.00 C ATOM 370 C SER A 557 35.434 -12.220 20.968 1.00 0.00 C ATOM 371 O SER A 557 34.405 -11.639 21.314 1.00 0.00 O ATOM 372 CB SER A 557 34.769 -12.688 18.588 1.00 0.00 C ATOM 373 OG SER A 557 35.111 -13.482 17.464 1.00 0.00 O ATOM 0 H SER A 557 33.715 -14.520 19.930 1.00 0.00 H new ATOM 0 HA SER A 557 36.425 -13.563 19.636 1.00 0.00 H new ATOM 0 HB2 SER A 557 33.685 -12.645 18.697 1.00 0.00 H new ATOM 0 HB3 SER A 557 35.116 -11.665 18.440 1.00 0.00 H new ATOM 0 HG SER A 557 34.704 -13.101 16.658 1.00 0.00 H new ATOM 379 N GLN A 558 36.621 -11.958 21.521 1.00 0.00 N ATOM 380 CA GLN A 558 36.805 -11.081 22.682 1.00 0.00 C ATOM 381 C GLN A 558 36.366 -9.621 22.423 1.00 0.00 C ATOM 382 O GLN A 558 36.639 -9.038 21.369 1.00 0.00 O ATOM 383 CB GLN A 558 38.233 -11.200 23.231 1.00 0.00 C ATOM 384 CG GLN A 558 39.302 -10.696 22.257 1.00 0.00 C ATOM 385 CD GLN A 558 40.726 -10.742 22.824 1.00 0.00 C ATOM 386 OE1 GLN A 558 41.483 -9.776 22.777 1.00 0.00 O ATOM 387 NE2 GLN A 558 41.149 -11.843 23.411 1.00 0.00 N ATOM 0 H GLN A 558 37.493 -12.354 21.171 1.00 0.00 H new ATOM 0 HA GLN A 558 36.129 -11.430 23.462 1.00 0.00 H new ATOM 0 HB2 GLN A 558 38.305 -10.637 24.161 1.00 0.00 H new ATOM 0 HB3 GLN A 558 38.436 -12.243 23.473 1.00 0.00 H new ATOM 0 HG2 GLN A 558 39.263 -11.296 21.348 1.00 0.00 H new ATOM 0 HG3 GLN A 558 39.067 -9.670 21.973 1.00 0.00 H new ATOM 0 HE21 GLN A 558 40.540 -12.659 23.463 1.00 0.00 H new ATOM 0 HE22 GLN A 558 42.086 -11.879 23.813 1.00 0.00 H new ATOM 396 N ASP A 559 35.657 -9.044 23.399 1.00 0.00 N ATOM 397 CA ASP A 559 35.173 -7.649 23.433 1.00 0.00 C ATOM 398 C ASP A 559 34.338 -7.203 22.202 1.00 0.00 C ATOM 399 O ASP A 559 34.146 -6.006 21.985 1.00 0.00 O ATOM 400 CB ASP A 559 36.332 -6.679 23.747 1.00 0.00 C ATOM 401 CG ASP A 559 37.146 -7.003 25.015 1.00 0.00 C ATOM 402 OD1 ASP A 559 36.603 -7.619 25.966 1.00 0.00 O ATOM 403 OD2 ASP A 559 38.332 -6.594 25.091 1.00 0.00 O ATOM 0 H ASP A 559 35.388 -9.562 24.235 1.00 0.00 H new ATOM 0 HA ASP A 559 34.452 -7.610 24.249 1.00 0.00 H new ATOM 0 HB2 ASP A 559 37.011 -6.665 22.895 1.00 0.00 H new ATOM 0 HB3 ASP A 559 35.924 -5.673 23.846 1.00 0.00 H new ATOM 408 N MET A 560 33.855 -8.152 21.379 1.00 0.00 N ATOM 409 CA MET A 560 33.204 -7.913 20.088 1.00 0.00 C ATOM 410 C MET A 560 33.996 -7.007 19.127 1.00 0.00 C ATOM 411 O MET A 560 33.399 -6.270 18.344 1.00 0.00 O ATOM 412 CB MET A 560 31.749 -7.445 20.279 1.00 0.00 C ATOM 413 CG MET A 560 30.910 -8.440 21.086 1.00 0.00 C ATOM 414 SD MET A 560 29.126 -8.210 20.883 1.00 0.00 S ATOM 415 CE MET A 560 28.581 -9.887 21.304 1.00 0.00 C ATOM 0 H MET A 560 33.912 -9.144 21.609 1.00 0.00 H new ATOM 0 HA MET A 560 33.186 -8.879 19.583 1.00 0.00 H new ATOM 0 HB2 MET A 560 31.746 -6.479 20.784 1.00 0.00 H new ATOM 0 HB3 MET A 560 31.288 -7.296 19.302 1.00 0.00 H new ATOM 0 HG2 MET A 560 31.174 -9.454 20.785 1.00 0.00 H new ATOM 0 HG3 MET A 560 31.163 -8.344 22.142 1.00 0.00 H new ATOM 0 HE1 MET A 560 27.560 -9.853 21.683 1.00 0.00 H new ATOM 0 HE2 MET A 560 28.617 -10.515 20.414 1.00 0.00 H new ATOM 0 HE3 MET A 560 29.238 -10.302 22.068 1.00 0.00 H new ATOM 425 N ALA A 561 35.330 -7.037 19.170 1.00 0.00 N ATOM 426 CA ALA A 561 36.188 -6.136 18.386 1.00 0.00 C ATOM 427 C ALA A 561 37.203 -6.869 17.484 1.00 0.00 C ATOM 428 O ALA A 561 37.775 -7.893 17.870 1.00 0.00 O ATOM 429 CB ALA A 561 36.862 -5.163 19.355 1.00 0.00 C ATOM 0 H ALA A 561 35.852 -7.691 19.753 1.00 0.00 H new ATOM 0 HA ALA A 561 35.564 -5.588 17.680 1.00 0.00 H new ATOM 0 HB1 ALA A 561 37.506 -4.482 18.798 1.00 0.00 H new ATOM 0 HB2 ALA A 561 36.100 -4.591 19.885 1.00 0.00 H new ATOM 0 HB3 ALA A 561 37.461 -5.722 20.074 1.00 0.00 H new ATOM 435 N PHE A 562 37.436 -6.321 16.293 1.00 0.00 N ATOM 436 CA PHE A 562 38.456 -6.759 15.325 1.00 0.00 C ATOM 437 C PHE A 562 38.873 -5.571 14.422 1.00 0.00 C ATOM 438 O PHE A 562 38.362 -4.463 14.598 1.00 0.00 O ATOM 439 CB PHE A 562 37.929 -7.968 14.529 1.00 0.00 C ATOM 440 CG PHE A 562 39.026 -8.888 14.021 1.00 0.00 C ATOM 441 CD1 PHE A 562 39.555 -9.878 14.870 1.00 0.00 C ATOM 442 CD2 PHE A 562 39.533 -8.743 12.721 1.00 0.00 C ATOM 443 CE1 PHE A 562 40.581 -10.729 14.415 1.00 0.00 C ATOM 444 CE2 PHE A 562 40.584 -9.564 12.275 1.00 0.00 C ATOM 445 CZ PHE A 562 41.100 -10.568 13.117 1.00 0.00 C ATOM 0 H PHE A 562 36.898 -5.523 15.955 1.00 0.00 H new ATOM 0 HA PHE A 562 39.356 -7.087 15.845 1.00 0.00 H new ATOM 0 HB2 PHE A 562 37.250 -8.541 15.161 1.00 0.00 H new ATOM 0 HB3 PHE A 562 37.347 -7.608 13.681 1.00 0.00 H new ATOM 0 HD1 PHE A 562 39.173 -9.986 15.874 1.00 0.00 H new ATOM 0 HD2 PHE A 562 39.115 -7.998 12.060 1.00 0.00 H new ATOM 0 HE1 PHE A 562 40.968 -11.503 15.061 1.00 0.00 H new ATOM 0 HE2 PHE A 562 40.996 -9.424 11.286 1.00 0.00 H new ATOM 0 HZ PHE A 562 41.892 -11.213 12.767 1.00 0.00 H new ATOM 455 N LYS A 563 39.797 -5.754 13.465 1.00 0.00 N ATOM 456 CA LYS A 563 40.344 -4.675 12.613 1.00 0.00 C ATOM 457 C LYS A 563 40.325 -5.014 11.108 1.00 0.00 C ATOM 458 O LYS A 563 40.389 -6.181 10.735 1.00 0.00 O ATOM 459 CB LYS A 563 41.754 -4.318 13.129 1.00 0.00 C ATOM 460 CG LYS A 563 42.228 -2.912 12.730 1.00 0.00 C ATOM 461 CD LYS A 563 43.651 -2.592 13.211 1.00 0.00 C ATOM 462 CE LYS A 563 43.877 -2.723 14.728 1.00 0.00 C ATOM 463 NZ LYS A 563 43.175 -1.667 15.501 1.00 0.00 N ATOM 0 H LYS A 563 40.194 -6.670 13.255 1.00 0.00 H new ATOM 0 HA LYS A 563 39.697 -3.801 12.693 1.00 0.00 H new ATOM 0 HB2 LYS A 563 41.763 -4.398 14.216 1.00 0.00 H new ATOM 0 HB3 LYS A 563 42.465 -5.051 12.749 1.00 0.00 H new ATOM 0 HG2 LYS A 563 42.189 -2.817 11.645 1.00 0.00 H new ATOM 0 HG3 LYS A 563 41.539 -2.174 13.140 1.00 0.00 H new ATOM 0 HD2 LYS A 563 44.348 -3.255 12.698 1.00 0.00 H new ATOM 0 HD3 LYS A 563 43.898 -1.574 12.910 1.00 0.00 H new ATOM 0 HE2 LYS A 563 43.532 -3.702 15.060 1.00 0.00 H new ATOM 0 HE3 LYS A 563 44.945 -2.673 14.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 563 43.274 -1.858 16.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 563 43.592 -0.740 15.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 563 42.167 -1.663 15.246 1.00 0.00 H new ATOM 477 N CYS A 564 40.255 -3.979 10.263 1.00 0.00 N ATOM 478 CA CYS A 564 40.405 -3.996 8.810 1.00 0.00 C ATOM 479 C CYS A 564 41.855 -3.642 8.417 1.00 0.00 C ATOM 480 O CYS A 564 42.205 -2.462 8.527 1.00 0.00 O ATOM 481 CB CYS A 564 39.455 -2.929 8.226 1.00 0.00 C ATOM 482 SG CYS A 564 39.307 -3.106 6.412 1.00 0.00 S ATOM 0 H CYS A 564 40.078 -3.036 10.608 1.00 0.00 H new ATOM 0 HA CYS A 564 40.170 -4.988 8.425 1.00 0.00 H new ATOM 0 HB2 CYS A 564 38.471 -3.022 8.686 1.00 0.00 H new ATOM 0 HB3 CYS A 564 39.827 -1.934 8.469 1.00 0.00 H new ATOM 0 HG CYS A 564 38.231 -2.502 6.003 1.00 0.00 H new ATOM 487 N PRO A 565 42.704 -4.585 7.953 1.00 0.00 N ATOM 488 CA PRO A 565 44.049 -4.257 7.466 1.00 0.00 C ATOM 489 C PRO A 565 44.108 -3.328 6.232 1.00 0.00 C ATOM 490 O PRO A 565 45.143 -2.701 5.998 1.00 0.00 O ATOM 491 CB PRO A 565 44.706 -5.607 7.156 1.00 0.00 C ATOM 492 CG PRO A 565 43.986 -6.581 8.086 1.00 0.00 C ATOM 493 CD PRO A 565 42.564 -6.024 8.130 1.00 0.00 C ATOM 0 HA PRO A 565 44.565 -3.680 8.233 1.00 0.00 H new ATOM 0 HB2 PRO A 565 44.578 -5.884 6.109 1.00 0.00 H new ATOM 0 HB3 PRO A 565 45.778 -5.585 7.351 1.00 0.00 H new ATOM 0 HG2 PRO A 565 44.009 -7.600 7.700 1.00 0.00 H new ATOM 0 HG3 PRO A 565 44.441 -6.605 9.076 1.00 0.00 H new ATOM 0 HD2 PRO A 565 41.948 -6.458 7.343 1.00 0.00 H new ATOM 0 HD3 PRO A 565 42.080 -6.258 9.078 1.00 0.00 H new ATOM 501 N ILE A 566 43.024 -3.219 5.448 1.00 0.00 N ATOM 502 CA ILE A 566 42.970 -2.413 4.209 1.00 0.00 C ATOM 503 C ILE A 566 43.024 -0.906 4.518 1.00 0.00 C ATOM 504 O ILE A 566 43.878 -0.189 3.993 1.00 0.00 O ATOM 505 CB ILE A 566 41.717 -2.767 3.366 1.00 0.00 C ATOM 506 CG1 ILE A 566 41.730 -4.252 2.933 1.00 0.00 C ATOM 507 CG2 ILE A 566 41.602 -1.853 2.125 1.00 0.00 C ATOM 508 CD1 ILE A 566 40.410 -4.762 2.335 1.00 0.00 C ATOM 0 H ILE A 566 42.145 -3.694 5.656 1.00 0.00 H new ATOM 0 HA ILE A 566 43.851 -2.659 3.617 1.00 0.00 H new ATOM 0 HB ILE A 566 40.846 -2.602 4.000 1.00 0.00 H new ATOM 0 HG12 ILE A 566 42.524 -4.395 2.200 1.00 0.00 H new ATOM 0 HG13 ILE A 566 41.981 -4.866 3.798 1.00 0.00 H new ATOM 0 HG21 ILE A 566 40.714 -2.125 1.554 1.00 0.00 H new ATOM 0 HG22 ILE A 566 41.524 -0.814 2.444 1.00 0.00 H new ATOM 0 HG23 ILE A 566 42.487 -1.975 1.500 1.00 0.00 H new ATOM 0 HD11 ILE A 566 40.516 -5.812 2.062 1.00 0.00 H new ATOM 0 HD12 ILE A 566 39.613 -4.657 3.071 1.00 0.00 H new ATOM 0 HD13 ILE A 566 40.163 -4.179 1.448 1.00 0.00 H new ATOM 520 N CYS A 567 42.142 -0.436 5.410 1.00 0.00 N ATOM 521 CA CYS A 567 42.051 0.966 5.821 1.00 0.00 C ATOM 522 C CYS A 567 42.549 1.226 7.268 1.00 0.00 C ATOM 523 O CYS A 567 42.552 2.370 7.733 1.00 0.00 O ATOM 524 CB CYS A 567 40.619 1.454 5.554 1.00 0.00 C ATOM 525 SG CYS A 567 39.434 0.799 6.765 1.00 0.00 S ATOM 0 H CYS A 567 41.459 -1.035 5.874 1.00 0.00 H new ATOM 0 HA CYS A 567 42.741 1.560 5.221 1.00 0.00 H new ATOM 0 HB2 CYS A 567 40.598 2.543 5.580 1.00 0.00 H new ATOM 0 HB3 CYS A 567 40.315 1.153 4.551 1.00 0.00 H new ATOM 0 HG CYS A 567 39.378 -0.496 6.661 1.00 0.00 H new ATOM 530 N LYS A 568 42.979 0.160 7.959 1.00 0.00 N ATOM 531 CA LYS A 568 43.450 0.140 9.357 1.00 0.00 C ATOM 532 C LYS A 568 42.386 0.619 10.361 1.00 0.00 C ATOM 533 O LYS A 568 42.696 1.406 11.258 1.00 0.00 O ATOM 534 CB LYS A 568 44.832 0.810 9.492 1.00 0.00 C ATOM 535 CG LYS A 568 45.892 0.124 8.615 1.00 0.00 C ATOM 536 CD LYS A 568 47.285 0.709 8.864 1.00 0.00 C ATOM 537 CE LYS A 568 48.316 -0.004 7.987 1.00 0.00 C ATOM 538 NZ LYS A 568 49.687 0.537 8.186 1.00 0.00 N ATOM 0 H LYS A 568 43.010 -0.767 7.535 1.00 0.00 H new ATOM 0 HA LYS A 568 43.606 -0.900 9.642 1.00 0.00 H new ATOM 0 HB2 LYS A 568 44.755 1.861 9.212 1.00 0.00 H new ATOM 0 HB3 LYS A 568 45.149 0.780 10.534 1.00 0.00 H new ATOM 0 HG2 LYS A 568 45.902 -0.946 8.823 1.00 0.00 H new ATOM 0 HG3 LYS A 568 45.629 0.242 7.564 1.00 0.00 H new ATOM 0 HD2 LYS A 568 47.285 1.777 8.644 1.00 0.00 H new ATOM 0 HD3 LYS A 568 47.552 0.600 9.915 1.00 0.00 H new ATOM 0 HE2 LYS A 568 48.310 -1.070 8.215 1.00 0.00 H new ATOM 0 HE3 LYS A 568 48.034 0.100 6.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 50.354 0.026 7.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 49.700 1.548 7.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 49.967 0.415 9.180 1.00 0.00 H new ATOM 552 N GLU A 569 41.135 0.159 10.213 1.00 0.00 N ATOM 553 CA GLU A 569 40.021 0.588 11.086 1.00 0.00 C ATOM 554 C GLU A 569 39.496 -0.524 11.995 1.00 0.00 C ATOM 555 O GLU A 569 39.321 -1.662 11.557 1.00 0.00 O ATOM 556 CB GLU A 569 38.854 1.144 10.262 1.00 0.00 C ATOM 557 CG GLU A 569 39.097 2.585 9.796 1.00 0.00 C ATOM 558 CD GLU A 569 37.847 3.305 9.247 1.00 0.00 C ATOM 559 OE1 GLU A 569 36.798 2.672 8.969 1.00 0.00 O ATOM 560 OE2 GLU A 569 37.901 4.552 9.104 1.00 0.00 O ATOM 0 H GLU A 569 40.864 -0.513 9.495 1.00 0.00 H new ATOM 0 HA GLU A 569 40.440 1.368 11.722 1.00 0.00 H new ATOM 0 HB2 GLU A 569 38.692 0.507 9.393 1.00 0.00 H new ATOM 0 HB3 GLU A 569 37.942 1.107 10.859 1.00 0.00 H new ATOM 0 HG2 GLU A 569 39.493 3.161 10.632 1.00 0.00 H new ATOM 0 HG3 GLU A 569 39.864 2.578 9.022 1.00 0.00 H new ATOM 567 N THR A 570 39.194 -0.201 13.256 1.00 0.00 N ATOM 568 CA THR A 570 38.636 -1.160 14.222 1.00 0.00 C ATOM 569 C THR A 570 37.109 -1.238 14.101 1.00 0.00 C ATOM 570 O THR A 570 36.419 -0.230 14.276 1.00 0.00 O ATOM 571 CB THR A 570 39.050 -0.782 15.657 1.00 0.00 C ATOM 572 OG1 THR A 570 40.461 -0.699 15.733 1.00 0.00 O ATOM 573 CG2 THR A 570 38.615 -1.798 16.713 1.00 0.00 C ATOM 0 H THR A 570 39.329 0.735 13.639 1.00 0.00 H new ATOM 0 HA THR A 570 39.041 -2.146 13.994 1.00 0.00 H new ATOM 0 HB THR A 570 38.556 0.167 15.865 1.00 0.00 H new ATOM 0 HG1 THR A 570 40.726 -0.457 16.645 1.00 0.00 H new ATOM 0 HG21 THR A 570 38.942 -1.463 17.697 1.00 0.00 H new ATOM 0 HG22 THR A 570 37.529 -1.890 16.704 1.00 0.00 H new ATOM 0 HG23 THR A 570 39.063 -2.767 16.492 1.00 0.00 H new ATOM 581 N VAL A 571 36.573 -2.428 13.820 1.00 0.00 N ATOM 582 CA VAL A 571 35.133 -2.749 13.860 1.00 0.00 C ATOM 583 C VAL A 571 34.726 -3.207 15.258 1.00 0.00 C ATOM 584 O VAL A 571 35.473 -3.920 15.931 1.00 0.00 O ATOM 585 CB VAL A 571 34.709 -3.809 12.821 1.00 0.00 C ATOM 586 CG1 VAL A 571 34.623 -3.207 11.422 1.00 0.00 C ATOM 587 CG2 VAL A 571 35.612 -5.043 12.778 1.00 0.00 C ATOM 0 H VAL A 571 37.145 -3.227 13.548 1.00 0.00 H new ATOM 0 HA VAL A 571 34.612 -1.827 13.601 1.00 0.00 H new ATOM 0 HB VAL A 571 33.726 -4.143 13.152 1.00 0.00 H new ATOM 0 HG11 VAL A 571 34.322 -3.978 10.712 1.00 0.00 H new ATOM 0 HG12 VAL A 571 33.888 -2.402 11.417 1.00 0.00 H new ATOM 0 HG13 VAL A 571 35.597 -2.811 11.136 1.00 0.00 H new ATOM 0 HG21 VAL A 571 35.244 -5.737 12.022 1.00 0.00 H new ATOM 0 HG22 VAL A 571 36.629 -4.741 12.529 1.00 0.00 H new ATOM 0 HG23 VAL A 571 35.607 -5.532 13.752 1.00 0.00 H new ATOM 597 N THR A 572 33.517 -2.845 15.682 1.00 0.00 N ATOM 598 CA THR A 572 32.896 -3.287 16.947 1.00 0.00 C ATOM 599 C THR A 572 31.491 -3.837 16.699 1.00 0.00 C ATOM 600 O THR A 572 30.771 -3.381 15.804 1.00 0.00 O ATOM 601 CB THR A 572 32.879 -2.187 18.019 1.00 0.00 C ATOM 602 OG1 THR A 572 32.157 -1.053 17.593 1.00 0.00 O ATOM 603 CG2 THR A 572 34.288 -1.741 18.426 1.00 0.00 C ATOM 0 H THR A 572 32.918 -2.218 15.145 1.00 0.00 H new ATOM 0 HA THR A 572 33.520 -4.090 17.340 1.00 0.00 H new ATOM 0 HB THR A 572 32.387 -2.633 18.883 1.00 0.00 H new ATOM 0 HG1 THR A 572 32.166 -0.375 18.300 1.00 0.00 H new ATOM 0 HG21 THR A 572 34.218 -0.963 19.186 1.00 0.00 H new ATOM 0 HG22 THR A 572 34.837 -2.592 18.828 1.00 0.00 H new ATOM 0 HG23 THR A 572 34.812 -1.351 17.554 1.00 0.00 H new ATOM 611 N GLY A 573 31.101 -4.858 17.460 1.00 0.00 N ATOM 612 CA GLY A 573 29.815 -5.527 17.333 1.00 0.00 C ATOM 613 C GLY A 573 28.658 -4.670 17.835 1.00 0.00 C ATOM 614 O GLY A 573 28.775 -4.004 18.867 1.00 0.00 O ATOM 0 H GLY A 573 31.686 -5.249 18.198 1.00 0.00 H new ATOM 0 HA2 GLY A 573 29.645 -5.785 16.288 1.00 0.00 H new ATOM 0 HA3 GLY A 573 29.839 -6.462 17.892 1.00 0.00 H new ATOM 618 N VAL A 574 27.521 -4.721 17.130 1.00 0.00 N ATOM 619 CA VAL A 574 26.311 -3.943 17.442 1.00 0.00 C ATOM 620 C VAL A 574 25.057 -4.805 17.418 1.00 0.00 C ATOM 621 O VAL A 574 24.919 -5.661 16.553 1.00 0.00 O ATOM 622 CB VAL A 574 26.144 -2.720 16.509 1.00 0.00 C ATOM 623 CG1 VAL A 574 27.333 -1.754 16.623 1.00 0.00 C ATOM 624 CG2 VAL A 574 25.916 -3.031 15.027 1.00 0.00 C ATOM 0 H VAL A 574 27.412 -5.316 16.309 1.00 0.00 H new ATOM 0 HA VAL A 574 26.445 -3.571 18.458 1.00 0.00 H new ATOM 0 HB VAL A 574 25.224 -2.262 16.874 1.00 0.00 H new ATOM 0 HG11 VAL A 574 27.180 -0.908 15.953 1.00 0.00 H new ATOM 0 HG12 VAL A 574 27.413 -1.395 17.649 1.00 0.00 H new ATOM 0 HG13 VAL A 574 28.251 -2.273 16.348 1.00 0.00 H new ATOM 0 HG21 VAL A 574 25.813 -2.099 14.471 1.00 0.00 H new ATOM 0 HG22 VAL A 574 26.765 -3.593 14.638 1.00 0.00 H new ATOM 0 HG23 VAL A 574 25.007 -3.622 14.915 1.00 0.00 H new ATOM 634 N TYR A 575 24.126 -4.606 18.355 1.00 0.00 N ATOM 635 CA TYR A 575 22.885 -5.386 18.399 1.00 0.00 C ATOM 636 C TYR A 575 21.899 -4.930 17.307 1.00 0.00 C ATOM 637 O TYR A 575 21.386 -3.804 17.350 1.00 0.00 O ATOM 638 CB TYR A 575 22.269 -5.315 19.798 1.00 0.00 C ATOM 639 CG TYR A 575 21.035 -6.185 19.955 1.00 0.00 C ATOM 640 CD1 TYR A 575 19.751 -5.602 19.969 1.00 0.00 C ATOM 641 CD2 TYR A 575 21.177 -7.579 20.098 1.00 0.00 C ATOM 642 CE1 TYR A 575 18.607 -6.403 20.131 1.00 0.00 C ATOM 643 CE2 TYR A 575 20.036 -8.385 20.248 1.00 0.00 C ATOM 644 CZ TYR A 575 18.753 -7.801 20.272 1.00 0.00 C ATOM 645 OH TYR A 575 17.653 -8.588 20.429 1.00 0.00 O ATOM 0 H TYR A 575 24.208 -3.909 19.096 1.00 0.00 H new ATOM 0 HA TYR A 575 23.119 -6.430 18.190 1.00 0.00 H new ATOM 0 HB2 TYR A 575 23.015 -5.619 20.532 1.00 0.00 H new ATOM 0 HB3 TYR A 575 22.007 -4.281 20.020 1.00 0.00 H new ATOM 0 HD1 TYR A 575 19.646 -4.533 19.855 1.00 0.00 H new ATOM 0 HD2 TYR A 575 22.160 -8.027 20.092 1.00 0.00 H new ATOM 0 HE1 TYR A 575 17.625 -5.953 20.148 1.00 0.00 H new ATOM 0 HE2 TYR A 575 20.142 -9.455 20.345 1.00 0.00 H new ATOM 0 HH TYR A 575 17.930 -9.525 20.511 1.00 0.00 H new ATOM 655 N ASP A 576 21.622 -5.797 16.331 1.00 0.00 N ATOM 656 CA ASP A 576 20.569 -5.607 15.330 1.00 0.00 C ATOM 657 C ASP A 576 19.205 -6.032 15.898 1.00 0.00 C ATOM 658 O ASP A 576 19.018 -7.198 16.257 1.00 0.00 O ATOM 659 CB ASP A 576 20.901 -6.385 14.055 1.00 0.00 C ATOM 660 CG ASP A 576 19.984 -5.970 12.897 1.00 0.00 C ATOM 661 OD1 ASP A 576 20.381 -5.073 12.115 1.00 0.00 O ATOM 662 OD2 ASP A 576 18.871 -6.524 12.788 1.00 0.00 O ATOM 0 H ASP A 576 22.135 -6.671 16.211 1.00 0.00 H new ATOM 0 HA ASP A 576 20.513 -4.548 15.076 1.00 0.00 H new ATOM 0 HB2 ASP A 576 21.941 -6.210 13.779 1.00 0.00 H new ATOM 0 HB3 ASP A 576 20.796 -7.454 14.240 1.00 0.00 H new ATOM 667 N GLU A 577 18.266 -5.093 15.986 1.00 0.00 N ATOM 668 CA GLU A 577 16.961 -5.299 16.634 1.00 0.00 C ATOM 669 C GLU A 577 15.987 -6.163 15.818 1.00 0.00 C ATOM 670 O GLU A 577 15.124 -6.836 16.389 1.00 0.00 O ATOM 671 CB GLU A 577 16.296 -3.932 16.917 1.00 0.00 C ATOM 672 CG GLU A 577 17.181 -2.949 17.708 1.00 0.00 C ATOM 673 CD GLU A 577 17.902 -1.889 16.838 1.00 0.00 C ATOM 674 OE1 GLU A 577 18.336 -2.189 15.698 1.00 0.00 O ATOM 675 OE2 GLU A 577 18.043 -0.729 17.310 1.00 0.00 O ATOM 0 H GLU A 577 18.386 -4.154 15.606 1.00 0.00 H new ATOM 0 HA GLU A 577 17.168 -5.840 17.557 1.00 0.00 H new ATOM 0 HB2 GLU A 577 16.020 -3.472 15.968 1.00 0.00 H new ATOM 0 HB3 GLU A 577 15.372 -4.098 17.471 1.00 0.00 H new ATOM 0 HG2 GLU A 577 16.563 -2.436 18.445 1.00 0.00 H new ATOM 0 HG3 GLU A 577 17.930 -3.517 18.260 1.00 0.00 H new ATOM 682 N GLU A 578 16.106 -6.164 14.483 1.00 0.00 N ATOM 683 CA GLU A 578 15.237 -6.932 13.574 1.00 0.00 C ATOM 684 C GLU A 578 15.676 -8.399 13.465 1.00 0.00 C ATOM 685 O GLU A 578 14.837 -9.305 13.515 1.00 0.00 O ATOM 686 CB GLU A 578 15.212 -6.225 12.204 1.00 0.00 C ATOM 687 CG GLU A 578 14.242 -6.848 11.190 1.00 0.00 C ATOM 688 CD GLU A 578 12.766 -6.858 11.645 1.00 0.00 C ATOM 689 OE1 GLU A 578 12.289 -5.886 12.284 1.00 0.00 O ATOM 690 OE2 GLU A 578 12.048 -7.834 11.325 1.00 0.00 O ATOM 0 H GLU A 578 16.820 -5.623 13.994 1.00 0.00 H new ATOM 0 HA GLU A 578 14.225 -6.960 13.978 1.00 0.00 H new ATOM 0 HB2 GLU A 578 14.942 -5.179 12.353 1.00 0.00 H new ATOM 0 HB3 GLU A 578 16.217 -6.238 11.783 1.00 0.00 H new ATOM 0 HG2 GLU A 578 14.317 -6.301 10.250 1.00 0.00 H new ATOM 0 HG3 GLU A 578 14.555 -7.872 10.988 1.00 0.00 H new ATOM 697 N SER A 579 16.989 -8.646 13.374 1.00 0.00 N ATOM 698 CA SER A 579 17.600 -9.982 13.408 1.00 0.00 C ATOM 699 C SER A 579 17.608 -10.577 14.828 1.00 0.00 C ATOM 700 O SER A 579 17.404 -11.781 15.006 1.00 0.00 O ATOM 701 CB SER A 579 19.039 -9.873 12.877 1.00 0.00 C ATOM 702 OG SER A 579 19.688 -11.134 12.822 1.00 0.00 O ATOM 0 H SER A 579 17.677 -7.900 13.272 1.00 0.00 H new ATOM 0 HA SER A 579 17.008 -10.651 12.784 1.00 0.00 H new ATOM 0 HB2 SER A 579 19.024 -9.430 11.881 1.00 0.00 H new ATOM 0 HB3 SER A 579 19.610 -9.200 13.516 1.00 0.00 H new ATOM 0 HG SER A 579 20.598 -11.019 12.478 1.00 0.00 H new ATOM 708 N GLY A 580 17.804 -9.738 15.849 1.00 0.00 N ATOM 709 CA GLY A 580 17.902 -10.148 17.254 1.00 0.00 C ATOM 710 C GLY A 580 19.291 -10.680 17.629 1.00 0.00 C ATOM 711 O GLY A 580 19.398 -11.613 18.429 1.00 0.00 O ATOM 0 H GLY A 580 17.901 -8.731 15.719 1.00 0.00 H new ATOM 0 HA2 GLY A 580 17.660 -9.298 17.892 1.00 0.00 H new ATOM 0 HA3 GLY A 580 17.158 -10.919 17.454 1.00 0.00 H new ATOM 715 N GLU A 581 20.353 -10.149 17.019 1.00 0.00 N ATOM 716 CA GLU A 581 21.731 -10.655 17.124 1.00 0.00 C ATOM 717 C GLU A 581 22.755 -9.518 17.101 1.00 0.00 C ATOM 718 O GLU A 581 22.547 -8.493 16.452 1.00 0.00 O ATOM 719 CB GLU A 581 22.052 -11.610 15.956 1.00 0.00 C ATOM 720 CG GLU A 581 21.297 -12.949 15.965 1.00 0.00 C ATOM 721 CD GLU A 581 21.635 -13.887 17.144 1.00 0.00 C ATOM 722 OE1 GLU A 581 20.923 -14.907 17.320 1.00 0.00 O ATOM 723 OE2 GLU A 581 22.627 -13.661 17.877 1.00 0.00 O ATOM 0 H GLU A 581 20.279 -9.328 16.418 1.00 0.00 H new ATOM 0 HA GLU A 581 21.798 -11.183 18.076 1.00 0.00 H new ATOM 0 HB2 GLU A 581 21.833 -11.096 15.020 1.00 0.00 H new ATOM 0 HB3 GLU A 581 23.122 -11.817 15.963 1.00 0.00 H new ATOM 0 HG2 GLU A 581 20.227 -12.744 15.980 1.00 0.00 H new ATOM 0 HG3 GLU A 581 21.508 -13.473 15.033 1.00 0.00 H new ATOM 730 N TRP A 582 23.894 -9.718 17.773 1.00 0.00 N ATOM 731 CA TRP A 582 25.044 -8.818 17.667 1.00 0.00 C ATOM 732 C TRP A 582 25.797 -9.059 16.353 1.00 0.00 C ATOM 733 O TRP A 582 26.070 -10.200 15.982 1.00 0.00 O ATOM 734 CB TRP A 582 25.967 -8.965 18.876 1.00 0.00 C ATOM 735 CG TRP A 582 25.375 -8.606 20.201 1.00 0.00 C ATOM 736 CD1 TRP A 582 24.651 -9.424 20.995 1.00 0.00 C ATOM 737 CD2 TRP A 582 25.419 -7.318 20.887 1.00 0.00 C ATOM 738 NE1 TRP A 582 24.224 -8.729 22.109 1.00 0.00 N ATOM 739 CE2 TRP A 582 24.656 -7.421 22.089 1.00 0.00 C ATOM 740 CE3 TRP A 582 26.044 -6.078 20.627 1.00 0.00 C ATOM 741 CZ2 TRP A 582 24.490 -6.345 22.970 1.00 0.00 C ATOM 742 CZ3 TRP A 582 25.887 -4.989 21.507 1.00 0.00 C ATOM 743 CH2 TRP A 582 25.104 -5.118 22.668 1.00 0.00 C ATOM 0 H TRP A 582 24.043 -10.506 18.403 1.00 0.00 H new ATOM 0 HA TRP A 582 24.678 -7.791 17.659 1.00 0.00 H new ATOM 0 HB2 TRP A 582 26.311 -9.998 18.922 1.00 0.00 H new ATOM 0 HB3 TRP A 582 26.847 -8.343 18.713 1.00 0.00 H new ATOM 0 HD1 TRP A 582 24.439 -10.463 20.790 1.00 0.00 H new ATOM 0 HE1 TRP A 582 23.658 -9.134 22.855 1.00 0.00 H new ATOM 0 HE3 TRP A 582 26.651 -5.963 19.741 1.00 0.00 H new ATOM 0 HZ2 TRP A 582 23.899 -6.457 23.867 1.00 0.00 H new ATOM 0 HZ3 TRP A 582 26.371 -4.049 21.288 1.00 0.00 H new ATOM 0 HH2 TRP A 582 24.975 -4.273 23.328 1.00 0.00 H new ATOM 754 N VAL A 583 26.156 -7.990 15.647 1.00 0.00 N ATOM 755 CA VAL A 583 26.666 -8.031 14.271 1.00 0.00 C ATOM 756 C VAL A 583 27.823 -7.059 14.033 1.00 0.00 C ATOM 757 O VAL A 583 27.849 -5.949 14.554 1.00 0.00 O ATOM 758 CB VAL A 583 25.548 -7.721 13.252 1.00 0.00 C ATOM 759 CG1 VAL A 583 24.567 -8.896 13.118 1.00 0.00 C ATOM 760 CG2 VAL A 583 24.730 -6.468 13.534 1.00 0.00 C ATOM 0 H VAL A 583 26.100 -7.043 16.023 1.00 0.00 H new ATOM 0 HA VAL A 583 27.036 -9.046 14.128 1.00 0.00 H new ATOM 0 HB VAL A 583 26.099 -7.547 12.328 1.00 0.00 H new ATOM 0 HG11 VAL A 583 23.793 -8.643 12.393 1.00 0.00 H new ATOM 0 HG12 VAL A 583 25.105 -9.782 12.781 1.00 0.00 H new ATOM 0 HG13 VAL A 583 24.106 -9.097 14.085 1.00 0.00 H new ATOM 0 HG21 VAL A 583 23.974 -6.345 12.758 1.00 0.00 H new ATOM 0 HG22 VAL A 583 24.242 -6.563 14.504 1.00 0.00 H new ATOM 0 HG23 VAL A 583 25.387 -5.598 13.541 1.00 0.00 H new ATOM 770 N TRP A 584 28.767 -7.472 13.187 1.00 0.00 N ATOM 771 CA TRP A 584 29.816 -6.637 12.612 1.00 0.00 C ATOM 772 C TRP A 584 29.293 -6.142 11.257 1.00 0.00 C ATOM 773 O TRP A 584 29.284 -6.887 10.271 1.00 0.00 O ATOM 774 CB TRP A 584 31.107 -7.461 12.488 1.00 0.00 C ATOM 775 CG TRP A 584 32.035 -7.474 13.668 1.00 0.00 C ATOM 776 CD1 TRP A 584 32.395 -6.409 14.425 1.00 0.00 C ATOM 777 CD2 TRP A 584 32.827 -8.596 14.185 1.00 0.00 C ATOM 778 NE1 TRP A 584 33.269 -6.810 15.416 1.00 0.00 N ATOM 779 CE2 TRP A 584 33.591 -8.139 15.297 1.00 0.00 C ATOM 780 CE3 TRP A 584 32.963 -9.961 13.834 1.00 0.00 C ATOM 781 CZ2 TRP A 584 34.432 -8.983 16.035 1.00 0.00 C ATOM 782 CZ3 TRP A 584 33.802 -10.821 14.570 1.00 0.00 C ATOM 783 CH2 TRP A 584 34.530 -10.333 15.667 1.00 0.00 C ATOM 0 H TRP A 584 28.822 -8.440 12.871 1.00 0.00 H new ATOM 0 HA TRP A 584 30.057 -5.776 13.236 1.00 0.00 H new ATOM 0 HB2 TRP A 584 30.829 -8.491 12.267 1.00 0.00 H new ATOM 0 HB3 TRP A 584 31.662 -7.089 11.627 1.00 0.00 H new ATOM 0 HD1 TRP A 584 32.050 -5.397 14.275 1.00 0.00 H new ATOM 0 HE1 TRP A 584 33.630 -6.195 16.145 1.00 0.00 H new ATOM 0 HE3 TRP A 584 32.415 -10.349 12.988 1.00 0.00 H new ATOM 0 HZ2 TRP A 584 34.995 -8.600 16.873 1.00 0.00 H new ATOM 0 HZ3 TRP A 584 33.886 -11.860 14.289 1.00 0.00 H new ATOM 0 HH2 TRP A 584 35.167 -10.999 16.229 1.00 0.00 H new ATOM 794 N LYS A 585 28.756 -4.916 11.238 1.00 0.00 N ATOM 795 CA LYS A 585 28.126 -4.301 10.058 1.00 0.00 C ATOM 796 C LYS A 585 29.165 -3.854 9.020 1.00 0.00 C ATOM 797 O LYS A 585 30.274 -3.457 9.374 1.00 0.00 O ATOM 798 CB LYS A 585 27.172 -3.178 10.497 1.00 0.00 C ATOM 799 CG LYS A 585 25.885 -3.759 11.107 1.00 0.00 C ATOM 800 CD LYS A 585 24.847 -2.657 11.389 1.00 0.00 C ATOM 801 CE LYS A 585 23.556 -3.217 12.004 1.00 0.00 C ATOM 802 NZ LYS A 585 22.695 -3.890 10.996 1.00 0.00 N ATOM 0 H LYS A 585 28.746 -4.310 12.058 1.00 0.00 H new ATOM 0 HA LYS A 585 27.524 -5.052 9.547 1.00 0.00 H new ATOM 0 HB2 LYS A 585 27.668 -2.538 11.226 1.00 0.00 H new ATOM 0 HB3 LYS A 585 26.923 -2.551 9.641 1.00 0.00 H new ATOM 0 HG2 LYS A 585 25.459 -4.496 10.426 1.00 0.00 H new ATOM 0 HG3 LYS A 585 26.124 -4.281 12.033 1.00 0.00 H new ATOM 0 HD2 LYS A 585 25.278 -1.919 12.065 1.00 0.00 H new ATOM 0 HD3 LYS A 585 24.609 -2.138 10.460 1.00 0.00 H new ATOM 0 HE2 LYS A 585 23.810 -3.925 12.793 1.00 0.00 H new ATOM 0 HE3 LYS A 585 22.998 -2.406 12.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 585 21.861 -4.295 11.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 585 22.388 -3.197 10.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 585 23.233 -4.649 10.531 1.00 0.00 H new ATOM 816 N ASN A 586 28.810 -3.969 7.739 1.00 0.00 N ATOM 817 CA ASN A 586 29.687 -3.794 6.574 1.00 0.00 C ATOM 818 C ASN A 586 30.980 -4.647 6.649 1.00 0.00 C ATOM 819 O ASN A 586 32.048 -4.191 6.245 1.00 0.00 O ATOM 820 CB ASN A 586 29.915 -2.292 6.301 1.00 0.00 C ATOM 821 CG ASN A 586 30.608 -2.009 4.971 1.00 0.00 C ATOM 822 OD1 ASN A 586 30.537 -2.769 4.015 1.00 0.00 O ATOM 823 ND2 ASN A 586 31.307 -0.903 4.870 1.00 0.00 N ATOM 0 H ASN A 586 27.853 -4.199 7.469 1.00 0.00 H new ATOM 0 HA ASN A 586 29.180 -4.195 5.697 1.00 0.00 H new ATOM 0 HB2 ASN A 586 28.953 -1.779 6.316 1.00 0.00 H new ATOM 0 HB3 ASN A 586 30.513 -1.872 7.109 1.00 0.00 H new ATOM 0 HD21 ASN A 586 31.787 -0.681 3.998 1.00 0.00 H new ATOM 0 HD22 ASN A 586 31.370 -0.265 5.664 1.00 0.00 H new ATOM 830 N THR A 587 30.918 -5.877 7.177 1.00 0.00 N ATOM 831 CA THR A 587 32.086 -6.764 7.384 1.00 0.00 C ATOM 832 C THR A 587 31.966 -8.075 6.598 1.00 0.00 C ATOM 833 O THR A 587 30.867 -8.601 6.403 1.00 0.00 O ATOM 834 CB THR A 587 32.331 -7.015 8.885 1.00 0.00 C ATOM 835 OG1 THR A 587 32.531 -5.783 9.546 1.00 0.00 O ATOM 836 CG2 THR A 587 33.559 -7.873 9.206 1.00 0.00 C ATOM 0 H THR A 587 30.040 -6.298 7.480 1.00 0.00 H new ATOM 0 HA THR A 587 32.960 -6.247 6.987 1.00 0.00 H new ATOM 0 HB THR A 587 31.444 -7.552 9.220 1.00 0.00 H new ATOM 0 HG1 THR A 587 31.711 -5.249 9.498 1.00 0.00 H new ATOM 0 HG21 THR A 587 33.647 -7.993 10.286 1.00 0.00 H new ATOM 0 HG22 THR A 587 33.451 -8.852 8.740 1.00 0.00 H new ATOM 0 HG23 THR A 587 34.454 -7.385 8.821 1.00 0.00 H new ATOM 844 N ILE A 588 33.112 -8.595 6.156 1.00 0.00 N ATOM 845 CA ILE A 588 33.302 -9.819 5.363 1.00 0.00 C ATOM 846 C ILE A 588 34.491 -10.639 5.902 1.00 0.00 C ATOM 847 O ILE A 588 35.483 -10.073 6.365 1.00 0.00 O ATOM 848 CB ILE A 588 33.462 -9.459 3.861 1.00 0.00 C ATOM 849 CG1 ILE A 588 33.737 -10.704 2.988 1.00 0.00 C ATOM 850 CG2 ILE A 588 34.599 -8.453 3.614 1.00 0.00 C ATOM 851 CD1 ILE A 588 33.565 -10.469 1.483 1.00 0.00 C ATOM 0 H ILE A 588 34.002 -8.139 6.356 1.00 0.00 H new ATOM 0 HA ILE A 588 32.418 -10.450 5.456 1.00 0.00 H new ATOM 0 HB ILE A 588 32.510 -9.010 3.578 1.00 0.00 H new ATOM 0 HG12 ILE A 588 34.754 -11.048 3.176 1.00 0.00 H new ATOM 0 HG13 ILE A 588 33.067 -11.506 3.298 1.00 0.00 H new ATOM 0 HG21 ILE A 588 34.668 -8.236 2.548 1.00 0.00 H new ATOM 0 HG22 ILE A 588 34.395 -7.532 4.160 1.00 0.00 H new ATOM 0 HG23 ILE A 588 35.542 -8.877 3.959 1.00 0.00 H new ATOM 0 HD11 ILE A 588 33.777 -11.392 0.944 1.00 0.00 H new ATOM 0 HD12 ILE A 588 32.541 -10.156 1.278 1.00 0.00 H new ATOM 0 HD13 ILE A 588 34.255 -9.691 1.155 1.00 0.00 H new ATOM 863 N GLU A 589 34.399 -11.971 5.832 1.00 0.00 N ATOM 864 CA GLU A 589 35.509 -12.899 6.095 1.00 0.00 C ATOM 865 C GLU A 589 36.037 -13.496 4.780 1.00 0.00 C ATOM 866 O GLU A 589 35.270 -14.070 4.004 1.00 0.00 O ATOM 867 CB GLU A 589 35.051 -14.006 7.055 1.00 0.00 C ATOM 868 CG GLU A 589 36.223 -14.864 7.565 1.00 0.00 C ATOM 869 CD GLU A 589 35.800 -16.006 8.520 1.00 0.00 C ATOM 870 OE1 GLU A 589 34.598 -16.366 8.603 1.00 0.00 O ATOM 871 OE2 GLU A 589 36.698 -16.589 9.181 1.00 0.00 O ATOM 0 H GLU A 589 33.531 -12.447 5.585 1.00 0.00 H new ATOM 0 HA GLU A 589 36.325 -12.349 6.565 1.00 0.00 H new ATOM 0 HB2 GLU A 589 34.537 -13.556 7.905 1.00 0.00 H new ATOM 0 HB3 GLU A 589 34.329 -14.647 6.548 1.00 0.00 H new ATOM 0 HG2 GLU A 589 36.744 -15.294 6.710 1.00 0.00 H new ATOM 0 HG3 GLU A 589 36.935 -14.219 8.080 1.00 0.00 H new ATOM 878 N VAL A 590 37.342 -13.374 4.528 1.00 0.00 N ATOM 879 CA VAL A 590 38.022 -13.885 3.324 1.00 0.00 C ATOM 880 C VAL A 590 39.524 -14.046 3.579 1.00 0.00 C ATOM 881 O VAL A 590 40.112 -13.280 4.344 1.00 0.00 O ATOM 882 CB VAL A 590 37.718 -12.987 2.100 1.00 0.00 C ATOM 883 CG1 VAL A 590 38.169 -11.538 2.293 1.00 0.00 C ATOM 884 CG2 VAL A 590 38.340 -13.522 0.805 1.00 0.00 C ATOM 0 H VAL A 590 37.978 -12.904 5.172 1.00 0.00 H new ATOM 0 HA VAL A 590 37.633 -14.876 3.092 1.00 0.00 H new ATOM 0 HB VAL A 590 36.632 -13.009 2.013 1.00 0.00 H new ATOM 0 HG11 VAL A 590 37.928 -10.960 1.401 1.00 0.00 H new ATOM 0 HG12 VAL A 590 37.655 -11.109 3.153 1.00 0.00 H new ATOM 0 HG13 VAL A 590 39.245 -11.511 2.463 1.00 0.00 H new ATOM 0 HG21 VAL A 590 38.095 -12.853 -0.020 1.00 0.00 H new ATOM 0 HG22 VAL A 590 39.423 -13.578 0.917 1.00 0.00 H new ATOM 0 HG23 VAL A 590 37.945 -14.516 0.596 1.00 0.00 H new ATOM 894 N ASN A 591 40.153 -15.059 2.973 1.00 0.00 N ATOM 895 CA ASN A 591 41.578 -15.375 3.146 1.00 0.00 C ATOM 896 C ASN A 591 41.978 -15.525 4.640 1.00 0.00 C ATOM 897 O ASN A 591 43.018 -15.033 5.084 1.00 0.00 O ATOM 898 CB ASN A 591 42.400 -14.348 2.338 1.00 0.00 C ATOM 899 CG ASN A 591 43.861 -14.713 2.139 1.00 0.00 C ATOM 900 OD1 ASN A 591 44.292 -15.849 2.283 1.00 0.00 O ATOM 901 ND2 ASN A 591 44.683 -13.750 1.782 1.00 0.00 N ATOM 0 H ASN A 591 39.677 -15.696 2.335 1.00 0.00 H new ATOM 0 HA ASN A 591 41.804 -16.362 2.743 1.00 0.00 H new ATOM 0 HB2 ASN A 591 41.936 -14.221 1.360 1.00 0.00 H new ATOM 0 HB3 ASN A 591 42.347 -13.384 2.843 1.00 0.00 H new ATOM 0 HD21 ASN A 591 45.671 -13.953 1.628 1.00 0.00 H new ATOM 0 HD22 ASN A 591 44.333 -12.800 1.659 1.00 0.00 H new ATOM 908 N GLY A 592 41.092 -16.135 5.439 1.00 0.00 N ATOM 909 CA GLY A 592 41.266 -16.378 6.880 1.00 0.00 C ATOM 910 C GLY A 592 41.312 -15.130 7.771 1.00 0.00 C ATOM 911 O GLY A 592 41.745 -15.227 8.923 1.00 0.00 O ATOM 0 H GLY A 592 40.201 -16.486 5.088 1.00 0.00 H new ATOM 0 HA2 GLY A 592 40.450 -17.015 7.222 1.00 0.00 H new ATOM 0 HA3 GLY A 592 42.190 -16.938 7.025 1.00 0.00 H new ATOM 915 N LYS A 593 40.898 -13.966 7.258 1.00 0.00 N ATOM 916 CA LYS A 593 40.919 -12.657 7.934 1.00 0.00 C ATOM 917 C LYS A 593 39.594 -11.911 7.726 1.00 0.00 C ATOM 918 O LYS A 593 38.843 -12.207 6.794 1.00 0.00 O ATOM 919 CB LYS A 593 42.105 -11.825 7.404 1.00 0.00 C ATOM 920 CG LYS A 593 43.468 -12.384 7.853 1.00 0.00 C ATOM 921 CD LYS A 593 44.651 -11.616 7.251 1.00 0.00 C ATOM 922 CE LYS A 593 44.797 -11.776 5.729 1.00 0.00 C ATOM 923 NZ LYS A 593 45.143 -13.164 5.325 1.00 0.00 N ATOM 0 H LYS A 593 40.520 -13.905 6.313 1.00 0.00 H new ATOM 0 HA LYS A 593 41.043 -12.814 9.006 1.00 0.00 H new ATOM 0 HB2 LYS A 593 42.068 -11.799 6.315 1.00 0.00 H new ATOM 0 HB3 LYS A 593 42.006 -10.796 7.751 1.00 0.00 H new ATOM 0 HG2 LYS A 593 43.531 -12.346 8.940 1.00 0.00 H new ATOM 0 HG3 LYS A 593 43.538 -13.433 7.566 1.00 0.00 H new ATOM 0 HD2 LYS A 593 44.539 -10.557 7.485 1.00 0.00 H new ATOM 0 HD3 LYS A 593 45.570 -11.953 7.730 1.00 0.00 H new ATOM 0 HE2 LYS A 593 43.864 -11.484 5.247 1.00 0.00 H new ATOM 0 HE3 LYS A 593 45.568 -11.095 5.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 593 45.616 -13.148 4.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 593 45.780 -13.583 6.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 593 44.275 -13.733 5.261 1.00 0.00 H new ATOM 937 N TYR A 594 39.311 -10.936 8.589 1.00 0.00 N ATOM 938 CA TYR A 594 38.203 -10.003 8.394 1.00 0.00 C ATOM 939 C TYR A 594 38.635 -8.748 7.632 1.00 0.00 C ATOM 940 O TYR A 594 39.768 -8.276 7.741 1.00 0.00 O ATOM 941 CB TYR A 594 37.563 -9.639 9.733 1.00 0.00 C ATOM 942 CG TYR A 594 36.825 -10.792 10.372 1.00 0.00 C ATOM 943 CD1 TYR A 594 35.616 -11.232 9.797 1.00 0.00 C ATOM 944 CD2 TYR A 594 37.349 -11.455 11.496 1.00 0.00 C ATOM 945 CE1 TYR A 594 34.938 -12.334 10.341 1.00 0.00 C ATOM 946 CE2 TYR A 594 36.665 -12.553 12.051 1.00 0.00 C ATOM 947 CZ TYR A 594 35.455 -12.994 11.479 1.00 0.00 C ATOM 948 OH TYR A 594 34.799 -14.060 12.014 1.00 0.00 O ATOM 0 H TYR A 594 39.844 -10.771 9.443 1.00 0.00 H new ATOM 0 HA TYR A 594 37.457 -10.507 7.780 1.00 0.00 H new ATOM 0 HB2 TYR A 594 38.337 -9.289 10.415 1.00 0.00 H new ATOM 0 HB3 TYR A 594 36.871 -8.810 9.584 1.00 0.00 H new ATOM 0 HD1 TYR A 594 35.211 -10.721 8.937 1.00 0.00 H new ATOM 0 HD2 TYR A 594 38.278 -11.121 11.934 1.00 0.00 H new ATOM 0 HE1 TYR A 594 34.019 -12.678 9.889 1.00 0.00 H new ATOM 0 HE2 TYR A 594 37.068 -13.058 12.916 1.00 0.00 H new ATOM 0 HH TYR A 594 35.295 -14.393 12.791 1.00 0.00 H new ATOM 958 N PHE A 595 37.680 -8.197 6.890 1.00 0.00 N ATOM 959 CA PHE A 595 37.772 -6.970 6.091 1.00 0.00 C ATOM 960 C PHE A 595 36.413 -6.245 6.109 1.00 0.00 C ATOM 961 O PHE A 595 35.390 -6.840 6.457 1.00 0.00 O ATOM 962 CB PHE A 595 38.136 -7.332 4.631 1.00 0.00 C ATOM 963 CG PHE A 595 39.566 -7.747 4.307 1.00 0.00 C ATOM 964 CD1 PHE A 595 40.677 -7.206 4.982 1.00 0.00 C ATOM 965 CD2 PHE A 595 39.788 -8.634 3.238 1.00 0.00 C ATOM 966 CE1 PHE A 595 41.983 -7.594 4.632 1.00 0.00 C ATOM 967 CE2 PHE A 595 41.090 -9.021 2.879 1.00 0.00 C ATOM 968 CZ PHE A 595 42.190 -8.503 3.583 1.00 0.00 C ATOM 0 H PHE A 595 36.755 -8.622 6.823 1.00 0.00 H new ATOM 0 HA PHE A 595 38.541 -6.321 6.510 1.00 0.00 H new ATOM 0 HB2 PHE A 595 37.479 -8.144 4.320 1.00 0.00 H new ATOM 0 HB3 PHE A 595 37.894 -6.471 4.008 1.00 0.00 H new ATOM 0 HD1 PHE A 595 40.525 -6.488 5.774 1.00 0.00 H new ATOM 0 HD2 PHE A 595 38.946 -9.023 2.685 1.00 0.00 H new ATOM 0 HE1 PHE A 595 42.828 -7.192 5.171 1.00 0.00 H new ATOM 0 HE2 PHE A 595 41.245 -9.714 2.065 1.00 0.00 H new ATOM 0 HZ PHE A 595 43.193 -8.804 3.317 1.00 0.00 H new ATOM 978 N HIS A 596 36.377 -4.976 5.696 1.00 0.00 N ATOM 979 CA HIS A 596 35.107 -4.308 5.394 1.00 0.00 C ATOM 980 C HIS A 596 34.635 -4.781 4.019 1.00 0.00 C ATOM 981 O HIS A 596 35.448 -4.928 3.102 1.00 0.00 O ATOM 982 CB HIS A 596 35.255 -2.791 5.351 1.00 0.00 C ATOM 983 CG HIS A 596 35.393 -2.071 6.657 1.00 0.00 C ATOM 984 ND1 HIS A 596 36.499 -1.288 6.932 1.00 0.00 N ATOM 985 CD2 HIS A 596 34.484 -1.968 7.671 1.00 0.00 C ATOM 986 CE1 HIS A 596 36.248 -0.700 8.113 1.00 0.00 C ATOM 987 NE2 HIS A 596 35.045 -1.094 8.582 1.00 0.00 N ATOM 0 H HIS A 596 37.204 -4.394 5.564 1.00 0.00 H new ATOM 0 HA HIS A 596 34.394 -4.558 6.180 1.00 0.00 H new ATOM 0 HB2 HIS A 596 36.129 -2.556 4.744 1.00 0.00 H new ATOM 0 HB3 HIS A 596 34.387 -2.383 4.832 1.00 0.00 H new ATOM 0 HD2 HIS A 596 33.528 -2.465 7.745 1.00 0.00 H new ATOM 0 HE1 HIS A 596 36.912 -0.012 8.615 1.00 0.00 H new ATOM 0 HE2 HIS A 596 34.622 -0.796 9.461 1.00 0.00 H new ATOM 995 N SER A 597 33.330 -4.984 3.840 1.00 0.00 N ATOM 996 CA SER A 597 32.791 -5.495 2.576 1.00 0.00 C ATOM 997 C SER A 597 32.986 -4.503 1.426 1.00 0.00 C ATOM 998 O SER A 597 33.430 -4.900 0.349 1.00 0.00 O ATOM 999 CB SER A 597 31.334 -5.916 2.759 1.00 0.00 C ATOM 1000 OG SER A 597 30.909 -6.704 1.664 1.00 0.00 O ATOM 0 H SER A 597 32.624 -4.803 4.554 1.00 0.00 H new ATOM 0 HA SER A 597 33.356 -6.383 2.292 1.00 0.00 H new ATOM 0 HB2 SER A 597 31.225 -6.480 3.685 1.00 0.00 H new ATOM 0 HB3 SER A 597 30.702 -5.033 2.847 1.00 0.00 H new ATOM 0 HG SER A 597 30.633 -7.588 1.985 1.00 0.00 H new ATOM 1006 N THR A 598 32.768 -3.202 1.659 1.00 0.00 N ATOM 1007 CA THR A 598 33.051 -2.135 0.674 1.00 0.00 C ATOM 1008 C THR A 598 34.547 -2.008 0.352 1.00 0.00 C ATOM 1009 O THR A 598 34.896 -1.902 -0.824 1.00 0.00 O ATOM 1010 CB THR A 598 32.521 -0.774 1.159 1.00 0.00 C ATOM 1011 OG1 THR A 598 32.928 -0.512 2.489 1.00 0.00 O ATOM 1012 CG2 THR A 598 30.997 -0.680 1.121 1.00 0.00 C ATOM 0 H THR A 598 32.389 -2.852 2.539 1.00 0.00 H new ATOM 0 HA THR A 598 32.532 -2.426 -0.239 1.00 0.00 H new ATOM 0 HB THR A 598 32.941 -0.041 0.470 1.00 0.00 H new ATOM 0 HG1 THR A 598 32.719 0.418 2.718 1.00 0.00 H new ATOM 0 HG21 THR A 598 30.684 0.302 1.474 1.00 0.00 H new ATOM 0 HG22 THR A 598 30.649 -0.826 0.098 1.00 0.00 H new ATOM 0 HG23 THR A 598 30.569 -1.450 1.763 1.00 0.00 H new ATOM 1020 N CYS A 599 35.436 -2.075 1.356 1.00 0.00 N ATOM 1021 CA CYS A 599 36.890 -2.082 1.180 1.00 0.00 C ATOM 1022 C CYS A 599 37.324 -3.233 0.251 1.00 0.00 C ATOM 1023 O CYS A 599 37.937 -2.999 -0.792 1.00 0.00 O ATOM 1024 CB CYS A 599 37.574 -2.176 2.561 1.00 0.00 C ATOM 1025 SG CYS A 599 37.459 -0.609 3.492 1.00 0.00 S ATOM 0 H CYS A 599 35.153 -2.127 2.335 1.00 0.00 H new ATOM 0 HA CYS A 599 37.201 -1.152 0.703 1.00 0.00 H new ATOM 0 HB2 CYS A 599 37.113 -2.976 3.140 1.00 0.00 H new ATOM 0 HB3 CYS A 599 38.623 -2.442 2.428 1.00 0.00 H new ATOM 0 HG CYS A 599 37.281 -0.866 4.754 1.00 0.00 H new ATOM 1030 N TYR A 600 36.992 -4.472 0.622 1.00 0.00 N ATOM 1031 CA TYR A 600 37.330 -5.666 -0.158 1.00 0.00 C ATOM 1032 C TYR A 600 36.749 -5.621 -1.585 1.00 0.00 C ATOM 1033 O TYR A 600 37.480 -5.859 -2.548 1.00 0.00 O ATOM 1034 CB TYR A 600 36.877 -6.917 0.606 1.00 0.00 C ATOM 1035 CG TYR A 600 36.998 -8.184 -0.220 1.00 0.00 C ATOM 1036 CD1 TYR A 600 38.261 -8.791 -0.396 1.00 0.00 C ATOM 1037 CD2 TYR A 600 35.869 -8.715 -0.875 1.00 0.00 C ATOM 1038 CE1 TYR A 600 38.389 -9.930 -1.212 1.00 0.00 C ATOM 1039 CE2 TYR A 600 35.995 -9.857 -1.691 1.00 0.00 C ATOM 1040 CZ TYR A 600 37.256 -10.469 -1.864 1.00 0.00 C ATOM 1041 OH TYR A 600 37.373 -11.555 -2.674 1.00 0.00 O ATOM 0 H TYR A 600 36.477 -4.677 1.478 1.00 0.00 H new ATOM 0 HA TYR A 600 38.412 -5.700 -0.283 1.00 0.00 H new ATOM 0 HB2 TYR A 600 37.474 -7.020 1.512 1.00 0.00 H new ATOM 0 HB3 TYR A 600 35.841 -6.791 0.920 1.00 0.00 H new ATOM 0 HD1 TYR A 600 39.130 -8.380 0.097 1.00 0.00 H new ATOM 0 HD2 TYR A 600 34.904 -8.245 -0.751 1.00 0.00 H new ATOM 0 HE1 TYR A 600 39.356 -10.394 -1.341 1.00 0.00 H new ATOM 0 HE2 TYR A 600 35.126 -10.265 -2.185 1.00 0.00 H new ATOM 0 HH TYR A 600 36.493 -11.789 -3.037 1.00 0.00 H new ATOM 1051 N HIS A 601 35.467 -5.266 -1.739 1.00 0.00 N ATOM 1052 CA HIS A 601 34.766 -5.249 -3.031 1.00 0.00 C ATOM 1053 C HIS A 601 35.427 -4.324 -4.064 1.00 0.00 C ATOM 1054 O HIS A 601 35.665 -4.749 -5.196 1.00 0.00 O ATOM 1055 CB HIS A 601 33.291 -4.870 -2.805 1.00 0.00 C ATOM 1056 CG HIS A 601 32.510 -4.604 -4.072 1.00 0.00 C ATOM 1057 ND1 HIS A 601 32.233 -3.338 -4.596 1.00 0.00 N ATOM 1058 CD2 HIS A 601 31.971 -5.549 -4.895 1.00 0.00 C ATOM 1059 CE1 HIS A 601 31.523 -3.547 -5.718 1.00 0.00 C ATOM 1060 NE2 HIS A 601 31.349 -4.867 -5.920 1.00 0.00 N ATOM 0 H HIS A 601 34.878 -4.978 -0.958 1.00 0.00 H new ATOM 0 HA HIS A 601 34.827 -6.252 -3.454 1.00 0.00 H new ATOM 0 HB2 HIS A 601 32.803 -5.674 -2.255 1.00 0.00 H new ATOM 0 HB3 HIS A 601 33.250 -3.982 -2.175 1.00 0.00 H new ATOM 0 HD2 HIS A 601 32.021 -6.620 -4.769 1.00 0.00 H new ATOM 0 HE1 HIS A 601 31.146 -2.768 -6.365 1.00 0.00 H new ATOM 0 HE2 HIS A 601 30.843 -5.290 -6.698 1.00 0.00 H new ATOM 1068 N GLU A 602 35.771 -3.092 -3.682 1.00 0.00 N ATOM 1069 CA GLU A 602 36.407 -2.128 -4.593 1.00 0.00 C ATOM 1070 C GLU A 602 37.906 -2.416 -4.813 1.00 0.00 C ATOM 1071 O GLU A 602 38.434 -2.145 -5.893 1.00 0.00 O ATOM 1072 CB GLU A 602 36.163 -0.704 -4.057 1.00 0.00 C ATOM 1073 CG GLU A 602 36.673 0.438 -4.953 1.00 0.00 C ATOM 1074 CD GLU A 602 36.100 0.435 -6.391 1.00 0.00 C ATOM 1075 OE1 GLU A 602 34.928 0.035 -6.603 1.00 0.00 O ATOM 1076 OE2 GLU A 602 36.810 0.886 -7.323 1.00 0.00 O ATOM 0 H GLU A 602 35.619 -2.733 -2.739 1.00 0.00 H new ATOM 0 HA GLU A 602 35.951 -2.226 -5.578 1.00 0.00 H new ATOM 0 HB2 GLU A 602 35.092 -0.571 -3.903 1.00 0.00 H new ATOM 0 HB3 GLU A 602 36.639 -0.616 -3.080 1.00 0.00 H new ATOM 0 HG2 GLU A 602 36.428 1.389 -4.481 1.00 0.00 H new ATOM 0 HG3 GLU A 602 37.760 0.380 -5.009 1.00 0.00 H new ATOM 1083 N THR A 603 38.600 -2.986 -3.817 1.00 0.00 N ATOM 1084 CA THR A 603 40.054 -3.251 -3.875 1.00 0.00 C ATOM 1085 C THR A 603 40.399 -4.534 -4.643 1.00 0.00 C ATOM 1086 O THR A 603 41.438 -4.591 -5.304 1.00 0.00 O ATOM 1087 CB THR A 603 40.658 -3.302 -2.455 1.00 0.00 C ATOM 1088 OG1 THR A 603 40.465 -2.053 -1.822 1.00 0.00 O ATOM 1089 CG2 THR A 603 42.166 -3.575 -2.410 1.00 0.00 C ATOM 0 H THR A 603 38.169 -3.280 -2.940 1.00 0.00 H new ATOM 0 HA THR A 603 40.496 -2.421 -4.427 1.00 0.00 H new ATOM 0 HB THR A 603 40.148 -4.128 -1.960 1.00 0.00 H new ATOM 0 HG1 THR A 603 39.617 -2.063 -1.330 1.00 0.00 H new ATOM 0 HG21 THR A 603 42.502 -3.593 -1.373 1.00 0.00 H new ATOM 0 HG22 THR A 603 42.376 -4.538 -2.876 1.00 0.00 H new ATOM 0 HG23 THR A 603 42.694 -2.788 -2.949 1.00 0.00 H new