USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 441 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 586 ASN : amide:sc= 1.25 K(o=3.7,f=2.2) USER MOD Set 1.2: A 597 SER OG : rot 145:sc= 1.89 USER MOD Set 1.3: A 598 THR OG1 : rot 180:sc= 0.546 USER MOD Set 2.1: A 564 CYS SG : rot 157:sc= 0.384 USER MOD Set 2.2: A 567 CYS SG : rot -61:sc= -0.687 USER MOD Set 2.3: A 596 HIS : no HD1:sc= 0.355 K(o=-0.53,f=-1.8) USER MOD Set 2.4: A 599 CYS SG : rot 146:sc= -0.587 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=0.000542 USER MOD Single : A 557 SER OG : rot 180:sc= 0 USER MOD Single : A 558 GLN : amide:sc= -0.0409 X(o=-0.041,f=0) USER MOD Single : A 560 MET CE :methyl 162:sc= -0.693 (180deg=-1.47) USER MOD Single : A 563 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 568 LYS NZ :NH3+ 180:sc= 1.07 (180deg=1.07) 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 80:sc= 0.378 USER MOD Single : A 585 LYS NZ :NH3+ 155:sc= 0.915 (180deg=0.642) USER MOD Single : A 587 THR OG1 : rot -50:sc= 0 USER MOD Single : A 591 ASN : amide:sc=-0.00633 X(o=-0.0063,f=-0.19) USER MOD Single : A 593 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 594 TYR OH : rot 180:sc= 0 USER MOD Single : A 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 84:sc= 0.486 USER MOD ----------------------------------------------------------------- ATOM 184 N ILE A 546 26.767 -4.283 -1.334 1.00 0.00 N ATOM 185 CA ILE A 546 28.067 -4.215 -0.637 1.00 0.00 C ATOM 186 C ILE A 546 27.930 -3.667 0.792 1.00 0.00 C ATOM 187 O ILE A 546 28.589 -4.163 1.706 1.00 0.00 O ATOM 188 CB ILE A 546 29.085 -3.394 -1.462 1.00 0.00 C ATOM 189 CG1 ILE A 546 29.280 -3.907 -2.908 1.00 0.00 C ATOM 190 CG2 ILE A 546 30.452 -3.341 -0.761 1.00 0.00 C ATOM 191 CD1 ILE A 546 29.927 -5.293 -3.013 1.00 0.00 C ATOM 0 HA ILE A 546 28.444 -5.234 -0.546 1.00 0.00 H new ATOM 0 HB ILE A 546 28.654 -2.395 -1.528 1.00 0.00 H new ATOM 0 HG12 ILE A 546 28.309 -3.935 -3.403 1.00 0.00 H new ATOM 0 HG13 ILE A 546 29.895 -3.191 -3.453 1.00 0.00 H new ATOM 0 HG21 ILE A 546 31.148 -2.757 -1.364 1.00 0.00 H new ATOM 0 HG22 ILE A 546 30.341 -2.875 0.218 1.00 0.00 H new ATOM 0 HG23 ILE A 546 30.838 -4.353 -0.639 1.00 0.00 H new ATOM 0 HD11 ILE A 546 30.024 -5.571 -4.063 1.00 0.00 H new ATOM 0 HD12 ILE A 546 30.914 -5.270 -2.551 1.00 0.00 H new ATOM 0 HD13 ILE A 546 29.304 -6.025 -2.500 1.00 0.00 H new ATOM 203 N ARG A 547 27.044 -2.690 1.021 1.00 0.00 N ATOM 204 CA ARG A 547 26.799 -2.119 2.364 1.00 0.00 C ATOM 205 C ARG A 547 25.743 -2.882 3.182 1.00 0.00 C ATOM 206 O ARG A 547 25.611 -2.650 4.384 1.00 0.00 O ATOM 207 CB ARG A 547 26.552 -0.599 2.307 1.00 0.00 C ATOM 208 CG ARG A 547 25.316 -0.106 1.531 1.00 0.00 C ATOM 209 CD ARG A 547 25.544 0.122 0.029 1.00 0.00 C ATOM 210 NE ARG A 547 26.574 1.146 -0.245 1.00 0.00 N ATOM 211 CZ ARG A 547 26.415 2.457 -0.240 1.00 0.00 C ATOM 212 NH1 ARG A 547 25.269 3.016 0.050 1.00 0.00 N ATOM 213 NH2 ARG A 547 27.418 3.237 -0.530 1.00 0.00 N ATOM 0 H ARG A 547 26.475 -2.269 0.287 1.00 0.00 H new ATOM 0 HA ARG A 547 27.723 -2.261 2.924 1.00 0.00 H new ATOM 0 HB2 ARG A 547 26.474 -0.233 3.331 1.00 0.00 H new ATOM 0 HB3 ARG A 547 27.433 -0.132 1.867 1.00 0.00 H new ATOM 0 HG2 ARG A 547 24.513 -0.833 1.656 1.00 0.00 H new ATOM 0 HG3 ARG A 547 24.973 0.827 1.977 1.00 0.00 H new ATOM 0 HD2 ARG A 547 25.840 -0.818 -0.436 1.00 0.00 H new ATOM 0 HD3 ARG A 547 24.605 0.425 -0.435 1.00 0.00 H new ATOM 0 HE ARG A 547 27.510 0.803 -0.462 1.00 0.00 H new ATOM 0 HH11 ARG A 547 24.463 2.436 0.282 1.00 0.00 H new ATOM 0 HH12 ARG A 547 25.181 4.032 0.044 1.00 0.00 H new ATOM 0 HH21 ARG A 547 28.327 2.835 -0.761 1.00 0.00 H new ATOM 0 HH22 ARG A 547 27.294 4.249 -0.526 1.00 0.00 H new ATOM 227 N GLY A 548 25.042 -3.831 2.555 1.00 0.00 N ATOM 228 CA GLY A 548 24.148 -4.787 3.221 1.00 0.00 C ATOM 229 C GLY A 548 24.867 -5.949 3.925 1.00 0.00 C ATOM 230 O GLY A 548 24.233 -6.663 4.701 1.00 0.00 O ATOM 0 H GLY A 548 25.080 -3.960 1.544 1.00 0.00 H new ATOM 0 HA2 GLY A 548 23.546 -4.251 3.955 1.00 0.00 H new ATOM 0 HA3 GLY A 548 23.460 -5.197 2.482 1.00 0.00 H new ATOM 234 N LYS A 549 26.170 -6.150 3.673 1.00 0.00 N ATOM 235 CA LYS A 549 26.976 -7.243 4.251 1.00 0.00 C ATOM 236 C LYS A 549 27.229 -7.071 5.753 1.00 0.00 C ATOM 237 O LYS A 549 27.606 -5.993 6.219 1.00 0.00 O ATOM 238 CB LYS A 549 28.325 -7.350 3.515 1.00 0.00 C ATOM 239 CG LYS A 549 28.240 -7.591 1.998 1.00 0.00 C ATOM 240 CD LYS A 549 27.485 -8.876 1.624 1.00 0.00 C ATOM 241 CE LYS A 549 27.501 -9.049 0.098 1.00 0.00 C ATOM 242 NZ LYS A 549 26.823 -10.304 -0.324 1.00 0.00 N ATOM 0 H LYS A 549 26.706 -5.546 3.049 1.00 0.00 H new ATOM 0 HA LYS A 549 26.398 -8.158 4.122 1.00 0.00 H new ATOM 0 HB2 LYS A 549 28.886 -6.431 3.687 1.00 0.00 H new ATOM 0 HB3 LYS A 549 28.898 -8.162 3.962 1.00 0.00 H new ATOM 0 HG2 LYS A 549 27.746 -6.739 1.530 1.00 0.00 H new ATOM 0 HG3 LYS A 549 29.249 -7.639 1.588 1.00 0.00 H new ATOM 0 HD2 LYS A 549 27.950 -9.737 2.104 1.00 0.00 H new ATOM 0 HD3 LYS A 549 26.458 -8.826 1.985 1.00 0.00 H new ATOM 0 HE2 LYS A 549 27.010 -8.196 -0.369 1.00 0.00 H new ATOM 0 HE3 LYS A 549 28.532 -9.056 -0.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 549 26.855 -10.384 -1.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 549 27.307 -11.120 0.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 549 25.832 -10.286 -0.009 1.00 0.00 H new ATOM 256 N TYR A 550 27.066 -8.163 6.496 1.00 0.00 N ATOM 257 CA TYR A 550 27.453 -8.280 7.905 1.00 0.00 C ATOM 258 C TYR A 550 27.730 -9.730 8.320 1.00 0.00 C ATOM 259 O TYR A 550 27.336 -10.684 7.647 1.00 0.00 O ATOM 260 CB TYR A 550 26.406 -7.644 8.837 1.00 0.00 C ATOM 261 CG TYR A 550 24.984 -8.149 8.746 1.00 0.00 C ATOM 262 CD1 TYR A 550 24.046 -7.472 7.944 1.00 0.00 C ATOM 263 CD2 TYR A 550 24.590 -9.270 9.497 1.00 0.00 C ATOM 264 CE1 TYR A 550 22.712 -7.926 7.875 1.00 0.00 C ATOM 265 CE2 TYR A 550 23.258 -9.721 9.446 1.00 0.00 C ATOM 266 CZ TYR A 550 22.313 -9.053 8.634 1.00 0.00 C ATOM 267 OH TYR A 550 21.026 -9.486 8.593 1.00 0.00 O ATOM 0 H TYR A 550 26.649 -9.017 6.126 1.00 0.00 H new ATOM 0 HA TYR A 550 28.386 -7.727 8.009 1.00 0.00 H new ATOM 0 HB2 TYR A 550 26.745 -7.780 9.864 1.00 0.00 H new ATOM 0 HB3 TYR A 550 26.394 -6.571 8.645 1.00 0.00 H new ATOM 0 HD1 TYR A 550 24.348 -6.602 7.380 1.00 0.00 H new ATOM 0 HD2 TYR A 550 25.311 -9.786 10.114 1.00 0.00 H new ATOM 0 HE1 TYR A 550 21.998 -7.416 7.246 1.00 0.00 H new ATOM 0 HE2 TYR A 550 22.957 -10.579 10.028 1.00 0.00 H new ATOM 0 HH TYR A 550 20.926 -10.270 9.172 1.00 0.00 H new ATOM 277 N VAL A 551 28.418 -9.876 9.453 1.00 0.00 N ATOM 278 CA VAL A 551 28.812 -11.150 10.073 1.00 0.00 C ATOM 279 C VAL A 551 28.558 -11.097 11.577 1.00 0.00 C ATOM 280 O VAL A 551 28.874 -10.094 12.215 1.00 0.00 O ATOM 281 CB VAL A 551 30.283 -11.506 9.747 1.00 0.00 C ATOM 282 CG1 VAL A 551 30.364 -12.293 8.433 1.00 0.00 C ATOM 283 CG2 VAL A 551 31.246 -10.317 9.588 1.00 0.00 C ATOM 0 H VAL A 551 28.733 -9.071 9.994 1.00 0.00 H new ATOM 0 HA VAL A 551 28.199 -11.948 9.653 1.00 0.00 H new ATOM 0 HB VAL A 551 30.599 -12.077 10.620 1.00 0.00 H new ATOM 0 HG11 VAL A 551 31.405 -12.536 8.218 1.00 0.00 H new ATOM 0 HG12 VAL A 551 29.788 -13.214 8.524 1.00 0.00 H new ATOM 0 HG13 VAL A 551 29.957 -11.689 7.622 1.00 0.00 H new ATOM 0 HG21 VAL A 551 32.246 -10.687 9.362 1.00 0.00 H new ATOM 0 HG22 VAL A 551 30.903 -9.677 8.775 1.00 0.00 H new ATOM 0 HG23 VAL A 551 31.272 -9.744 10.515 1.00 0.00 H new ATOM 293 N VAL A 552 27.935 -12.130 12.155 1.00 0.00 N ATOM 294 CA VAL A 552 27.552 -12.161 13.586 1.00 0.00 C ATOM 295 C VAL A 552 28.784 -12.206 14.501 1.00 0.00 C ATOM 296 O VAL A 552 29.754 -12.914 14.219 1.00 0.00 O ATOM 297 CB VAL A 552 26.531 -13.293 13.853 1.00 0.00 C ATOM 298 CG1 VAL A 552 27.146 -14.701 13.790 1.00 0.00 C ATOM 299 CG2 VAL A 552 25.827 -13.146 15.199 1.00 0.00 C ATOM 0 H VAL A 552 27.677 -12.976 11.647 1.00 0.00 H new ATOM 0 HA VAL A 552 27.046 -11.228 13.835 1.00 0.00 H new ATOM 0 HB VAL A 552 25.808 -13.187 13.045 1.00 0.00 H new ATOM 0 HG11 VAL A 552 26.374 -15.445 13.987 1.00 0.00 H new ATOM 0 HG12 VAL A 552 27.568 -14.870 12.799 1.00 0.00 H new ATOM 0 HG13 VAL A 552 27.933 -14.788 14.539 1.00 0.00 H new ATOM 0 HG21 VAL A 552 25.123 -13.967 15.333 1.00 0.00 H new ATOM 0 HG22 VAL A 552 26.566 -13.167 16.000 1.00 0.00 H new ATOM 0 HG23 VAL A 552 25.289 -12.198 15.227 1.00 0.00 H new ATOM 309 N VAL A 553 28.752 -11.454 15.603 1.00 0.00 N ATOM 310 CA VAL A 553 29.737 -11.531 16.695 1.00 0.00 C ATOM 311 C VAL A 553 29.445 -12.788 17.538 1.00 0.00 C ATOM 312 O VAL A 553 28.379 -12.846 18.158 1.00 0.00 O ATOM 313 CB VAL A 553 29.712 -10.276 17.602 1.00 0.00 C ATOM 314 CG1 VAL A 553 30.790 -10.436 18.680 1.00 0.00 C ATOM 315 CG2 VAL A 553 30.012 -8.977 16.859 1.00 0.00 C ATOM 0 H VAL A 553 28.026 -10.757 15.769 1.00 0.00 H new ATOM 0 HA VAL A 553 30.731 -11.585 16.251 1.00 0.00 H new ATOM 0 HB VAL A 553 28.703 -10.206 18.009 1.00 0.00 H new ATOM 0 HG11 VAL A 553 30.788 -9.561 19.330 1.00 0.00 H new ATOM 0 HG12 VAL A 553 30.583 -11.328 19.272 1.00 0.00 H new ATOM 0 HG13 VAL A 553 31.767 -10.534 18.206 1.00 0.00 H new ATOM 0 HG21 VAL A 553 29.977 -8.141 17.558 1.00 0.00 H new ATOM 0 HG22 VAL A 553 31.004 -9.034 16.412 1.00 0.00 H new ATOM 0 HG23 VAL A 553 29.269 -8.826 16.076 1.00 0.00 H new ATOM 325 N PRO A 554 30.341 -13.794 17.600 1.00 0.00 N ATOM 326 CA PRO A 554 30.149 -14.981 18.434 1.00 0.00 C ATOM 327 C PRO A 554 30.494 -14.710 19.910 1.00 0.00 C ATOM 328 O PRO A 554 31.283 -13.819 20.226 1.00 0.00 O ATOM 329 CB PRO A 554 31.075 -16.033 17.821 1.00 0.00 C ATOM 330 CG PRO A 554 32.260 -15.193 17.351 1.00 0.00 C ATOM 331 CD PRO A 554 31.605 -13.889 16.882 1.00 0.00 C ATOM 0 HA PRO A 554 29.108 -15.305 18.447 1.00 0.00 H new ATOM 0 HB2 PRO A 554 31.374 -16.785 18.551 1.00 0.00 H new ATOM 0 HB3 PRO A 554 30.599 -16.562 16.995 1.00 0.00 H new ATOM 0 HG2 PRO A 554 32.973 -15.018 18.156 1.00 0.00 H new ATOM 0 HG3 PRO A 554 32.805 -15.682 16.544 1.00 0.00 H new ATOM 0 HD2 PRO A 554 32.243 -13.032 17.099 1.00 0.00 H new ATOM 0 HD3 PRO A 554 31.442 -13.900 15.804 1.00 0.00 H new ATOM 339 N GLU A 555 29.950 -15.519 20.828 1.00 0.00 N ATOM 340 CA GLU A 555 30.187 -15.387 22.272 1.00 0.00 C ATOM 341 C GLU A 555 31.661 -15.640 22.680 1.00 0.00 C ATOM 342 O GLU A 555 32.134 -15.120 23.693 1.00 0.00 O ATOM 343 CB GLU A 555 29.223 -16.334 23.005 1.00 0.00 C ATOM 344 CG GLU A 555 29.267 -16.211 24.538 1.00 0.00 C ATOM 345 CD GLU A 555 28.149 -17.029 25.223 1.00 0.00 C ATOM 346 OE1 GLU A 555 28.465 -17.979 25.980 1.00 0.00 O ATOM 347 OE2 GLU A 555 26.943 -16.725 25.028 1.00 0.00 O ATOM 0 H GLU A 555 29.327 -16.290 20.588 1.00 0.00 H new ATOM 0 HA GLU A 555 29.994 -14.354 22.561 1.00 0.00 H new ATOM 0 HB2 GLU A 555 28.207 -16.136 22.664 1.00 0.00 H new ATOM 0 HB3 GLU A 555 29.458 -17.361 22.727 1.00 0.00 H new ATOM 0 HG2 GLU A 555 30.237 -16.551 24.900 1.00 0.00 H new ATOM 0 HG3 GLU A 555 29.172 -15.162 24.819 1.00 0.00 H new ATOM 354 N THR A 556 32.409 -16.400 21.868 1.00 0.00 N ATOM 355 CA THR A 556 33.857 -16.657 22.023 1.00 0.00 C ATOM 356 C THR A 556 34.707 -15.406 21.754 1.00 0.00 C ATOM 357 O THR A 556 35.676 -15.159 22.475 1.00 0.00 O ATOM 358 CB THR A 556 34.297 -17.791 21.078 1.00 0.00 C ATOM 359 OG1 THR A 556 33.894 -17.508 19.754 1.00 0.00 O ATOM 360 CG2 THR A 556 33.682 -19.138 21.475 1.00 0.00 C ATOM 0 H THR A 556 32.013 -16.872 21.055 1.00 0.00 H new ATOM 0 HA THR A 556 34.020 -16.950 23.060 1.00 0.00 H new ATOM 0 HB THR A 556 35.383 -17.856 21.150 1.00 0.00 H new ATOM 0 HG1 THR A 556 34.181 -18.235 19.162 1.00 0.00 H new ATOM 0 HG21 THR A 556 34.018 -19.910 20.783 1.00 0.00 H new ATOM 0 HG22 THR A 556 33.995 -19.397 22.487 1.00 0.00 H new ATOM 0 HG23 THR A 556 32.595 -19.067 21.438 1.00 0.00 H new ATOM 368 N SER A 557 34.318 -14.581 20.778 1.00 0.00 N ATOM 369 CA SER A 557 34.903 -13.257 20.508 1.00 0.00 C ATOM 370 C SER A 557 34.346 -12.201 21.473 1.00 0.00 C ATOM 371 O SER A 557 33.728 -11.214 21.064 1.00 0.00 O ATOM 372 CB SER A 557 34.668 -12.837 19.048 1.00 0.00 C ATOM 373 OG SER A 557 35.272 -13.747 18.138 1.00 0.00 O ATOM 0 H SER A 557 33.565 -14.820 20.133 1.00 0.00 H new ATOM 0 HA SER A 557 35.978 -13.330 20.670 1.00 0.00 H new ATOM 0 HB2 SER A 557 33.597 -12.783 18.852 1.00 0.00 H new ATOM 0 HB3 SER A 557 35.073 -11.838 18.887 1.00 0.00 H new ATOM 0 HG SER A 557 35.102 -13.452 17.219 1.00 0.00 H new ATOM 379 N GLN A 558 34.552 -12.405 22.776 1.00 0.00 N ATOM 380 CA GLN A 558 33.931 -11.629 23.857 1.00 0.00 C ATOM 381 C GLN A 558 34.369 -10.145 23.903 1.00 0.00 C ATOM 382 O GLN A 558 33.687 -9.305 24.492 1.00 0.00 O ATOM 383 CB GLN A 558 34.209 -12.379 25.170 1.00 0.00 C ATOM 384 CG GLN A 558 33.333 -11.894 26.344 1.00 0.00 C ATOM 385 CD GLN A 558 33.217 -12.943 27.449 1.00 0.00 C ATOM 386 OE1 GLN A 558 33.625 -12.735 28.587 1.00 0.00 O ATOM 387 NE2 GLN A 558 32.673 -14.109 27.169 1.00 0.00 N ATOM 0 H GLN A 558 35.174 -13.136 23.121 1.00 0.00 H new ATOM 0 HA GLN A 558 32.858 -11.559 23.678 1.00 0.00 H new ATOM 0 HB2 GLN A 558 34.040 -13.445 25.015 1.00 0.00 H new ATOM 0 HB3 GLN A 558 35.259 -12.258 25.435 1.00 0.00 H new ATOM 0 HG2 GLN A 558 33.757 -10.979 26.757 1.00 0.00 H new ATOM 0 HG3 GLN A 558 32.338 -11.646 25.975 1.00 0.00 H new ATOM 0 HE21 GLN A 558 32.329 -14.298 26.228 1.00 0.00 H new ATOM 0 HE22 GLN A 558 32.596 -14.823 27.893 1.00 0.00 H new ATOM 396 N ASP A 559 35.477 -9.789 23.239 1.00 0.00 N ATOM 397 CA ASP A 559 35.895 -8.389 23.008 1.00 0.00 C ATOM 398 C ASP A 559 35.043 -7.670 21.942 1.00 0.00 C ATOM 399 O ASP A 559 35.048 -6.439 21.880 1.00 0.00 O ATOM 400 CB ASP A 559 37.372 -8.356 22.592 1.00 0.00 C ATOM 401 CG ASP A 559 38.356 -8.952 23.623 1.00 0.00 C ATOM 402 OD1 ASP A 559 39.426 -9.456 23.198 1.00 0.00 O ATOM 403 OD2 ASP A 559 38.107 -8.888 24.852 1.00 0.00 O ATOM 0 H ASP A 559 36.121 -10.471 22.839 1.00 0.00 H new ATOM 0 HA ASP A 559 35.747 -7.855 23.946 1.00 0.00 H new ATOM 0 HB2 ASP A 559 37.481 -8.898 21.653 1.00 0.00 H new ATOM 0 HB3 ASP A 559 37.656 -7.322 22.398 1.00 0.00 H new ATOM 408 N MET A 560 34.313 -8.419 21.105 1.00 0.00 N ATOM 409 CA MET A 560 33.385 -7.951 20.061 1.00 0.00 C ATOM 410 C MET A 560 34.007 -7.017 19.004 1.00 0.00 C ATOM 411 O MET A 560 33.297 -6.240 18.355 1.00 0.00 O ATOM 412 CB MET A 560 32.083 -7.395 20.673 1.00 0.00 C ATOM 413 CG MET A 560 31.511 -8.317 21.760 1.00 0.00 C ATOM 414 SD MET A 560 29.874 -7.885 22.401 1.00 0.00 S ATOM 415 CE MET A 560 28.842 -8.684 21.149 1.00 0.00 C ATOM 0 H MET A 560 34.356 -9.437 21.140 1.00 0.00 H new ATOM 0 HA MET A 560 33.126 -8.840 19.486 1.00 0.00 H new ATOM 0 HB2 MET A 560 32.276 -6.410 21.099 1.00 0.00 H new ATOM 0 HB3 MET A 560 31.342 -7.262 19.885 1.00 0.00 H new ATOM 0 HG2 MET A 560 31.465 -9.330 21.360 1.00 0.00 H new ATOM 0 HG3 MET A 560 32.211 -8.336 22.595 1.00 0.00 H new ATOM 0 HE1 MET A 560 27.829 -8.802 21.534 1.00 0.00 H new ATOM 0 HE2 MET A 560 28.819 -8.068 20.250 1.00 0.00 H new ATOM 0 HE3 MET A 560 29.255 -9.663 20.908 1.00 0.00 H new ATOM 425 N ALA A 561 35.321 -7.110 18.785 1.00 0.00 N ATOM 426 CA ALA A 561 36.073 -6.227 17.894 1.00 0.00 C ATOM 427 C ALA A 561 37.158 -6.960 17.081 1.00 0.00 C ATOM 428 O ALA A 561 37.707 -7.975 17.515 1.00 0.00 O ATOM 429 CB ALA A 561 36.658 -5.079 18.733 1.00 0.00 C ATOM 0 H ALA A 561 35.903 -7.818 19.233 1.00 0.00 H new ATOM 0 HA ALA A 561 35.391 -5.829 17.143 1.00 0.00 H new ATOM 0 HB1 ALA A 561 37.224 -4.408 18.087 1.00 0.00 H new ATOM 0 HB2 ALA A 561 35.848 -4.527 19.209 1.00 0.00 H new ATOM 0 HB3 ALA A 561 37.318 -5.487 19.498 1.00 0.00 H new ATOM 435 N PHE A 562 37.484 -6.415 15.906 1.00 0.00 N ATOM 436 CA PHE A 562 38.546 -6.874 14.992 1.00 0.00 C ATOM 437 C PHE A 562 39.006 -5.714 14.096 1.00 0.00 C ATOM 438 O PHE A 562 38.283 -4.725 13.953 1.00 0.00 O ATOM 439 CB PHE A 562 38.049 -8.063 14.147 1.00 0.00 C ATOM 440 CG PHE A 562 39.110 -9.125 13.910 1.00 0.00 C ATOM 441 CD1 PHE A 562 39.223 -10.207 14.805 1.00 0.00 C ATOM 442 CD2 PHE A 562 39.990 -9.039 12.813 1.00 0.00 C ATOM 443 CE1 PHE A 562 40.191 -11.207 14.592 1.00 0.00 C ATOM 444 CE2 PHE A 562 40.963 -10.034 12.607 1.00 0.00 C ATOM 445 CZ PHE A 562 41.058 -11.124 13.488 1.00 0.00 C ATOM 0 H PHE A 562 36.992 -5.599 15.543 1.00 0.00 H new ATOM 0 HA PHE A 562 39.399 -7.213 15.579 1.00 0.00 H new ATOM 0 HB2 PHE A 562 37.194 -8.520 14.645 1.00 0.00 H new ATOM 0 HB3 PHE A 562 37.696 -7.692 13.185 1.00 0.00 H new ATOM 0 HD1 PHE A 562 38.564 -10.270 15.658 1.00 0.00 H new ATOM 0 HD2 PHE A 562 39.917 -8.207 12.128 1.00 0.00 H new ATOM 0 HE1 PHE A 562 40.268 -12.038 15.277 1.00 0.00 H new ATOM 0 HE2 PHE A 562 41.639 -9.960 11.768 1.00 0.00 H new ATOM 0 HZ PHE A 562 41.794 -11.896 13.318 1.00 0.00 H new ATOM 455 N LYS A 563 40.193 -5.795 13.486 1.00 0.00 N ATOM 456 CA LYS A 563 40.747 -4.738 12.610 1.00 0.00 C ATOM 457 C LYS A 563 40.581 -5.052 11.112 1.00 0.00 C ATOM 458 O LYS A 563 40.566 -6.222 10.727 1.00 0.00 O ATOM 459 CB LYS A 563 42.211 -4.496 13.031 1.00 0.00 C ATOM 460 CG LYS A 563 42.801 -3.167 12.535 1.00 0.00 C ATOM 461 CD LYS A 563 44.170 -2.910 13.188 1.00 0.00 C ATOM 462 CE LYS A 563 44.723 -1.546 12.770 1.00 0.00 C ATOM 463 NZ LYS A 563 46.010 -1.234 13.457 1.00 0.00 N ATOM 0 H LYS A 563 40.809 -6.602 13.583 1.00 0.00 H new ATOM 0 HA LYS A 563 40.181 -3.816 12.741 1.00 0.00 H new ATOM 0 HB2 LYS A 563 42.273 -4.524 14.119 1.00 0.00 H new ATOM 0 HB3 LYS A 563 42.825 -5.315 12.656 1.00 0.00 H new ATOM 0 HG2 LYS A 563 42.907 -3.191 11.450 1.00 0.00 H new ATOM 0 HG3 LYS A 563 42.120 -2.349 12.770 1.00 0.00 H new ATOM 0 HD2 LYS A 563 44.074 -2.952 14.273 1.00 0.00 H new ATOM 0 HD3 LYS A 563 44.869 -3.695 12.899 1.00 0.00 H new ATOM 0 HE2 LYS A 563 44.874 -1.531 11.691 1.00 0.00 H new ATOM 0 HE3 LYS A 563 43.991 -0.771 13.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 563 46.352 -0.302 13.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 563 45.860 -1.223 14.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 563 46.716 -1.959 13.217 1.00 0.00 H new ATOM 477 N CYS A 564 40.489 -4.010 10.287 1.00 0.00 N ATOM 478 CA CYS A 564 40.545 -4.027 8.827 1.00 0.00 C ATOM 479 C CYS A 564 42.003 -3.807 8.366 1.00 0.00 C ATOM 480 O CYS A 564 42.478 -2.673 8.522 1.00 0.00 O ATOM 481 CB CYS A 564 39.668 -2.888 8.293 1.00 0.00 C ATOM 482 SG CYS A 564 39.543 -2.980 6.466 1.00 0.00 S ATOM 0 H CYS A 564 40.364 -3.064 10.648 1.00 0.00 H new ATOM 0 HA CYS A 564 40.188 -4.986 8.450 1.00 0.00 H new ATOM 0 HB2 CYS A 564 38.674 -2.948 8.735 1.00 0.00 H new ATOM 0 HB3 CYS A 564 40.090 -1.927 8.587 1.00 0.00 H new ATOM 0 HG CYS A 564 38.470 -2.360 6.073 1.00 0.00 H new ATOM 487 N PRO A 565 42.692 -4.819 7.797 1.00 0.00 N ATOM 488 CA PRO A 565 44.049 -4.681 7.248 1.00 0.00 C ATOM 489 C PRO A 565 44.205 -3.704 6.067 1.00 0.00 C ATOM 490 O PRO A 565 45.332 -3.326 5.739 1.00 0.00 O ATOM 491 CB PRO A 565 44.452 -6.095 6.804 1.00 0.00 C ATOM 492 CG PRO A 565 43.605 -7.019 7.671 1.00 0.00 C ATOM 493 CD PRO A 565 42.317 -6.228 7.857 1.00 0.00 C ATOM 0 HA PRO A 565 44.684 -4.249 8.022 1.00 0.00 H new ATOM 0 HB2 PRO A 565 44.252 -6.251 5.744 1.00 0.00 H new ATOM 0 HB3 PRO A 565 45.517 -6.271 6.957 1.00 0.00 H new ATOM 0 HG2 PRO A 565 43.424 -7.977 7.183 1.00 0.00 H new ATOM 0 HG3 PRO A 565 44.088 -7.233 8.624 1.00 0.00 H new ATOM 0 HD2 PRO A 565 41.595 -6.472 7.078 1.00 0.00 H new ATOM 0 HD3 PRO A 565 41.849 -6.466 8.812 1.00 0.00 H new ATOM 501 N ILE A 566 43.115 -3.288 5.413 1.00 0.00 N ATOM 502 CA ILE A 566 43.149 -2.367 4.259 1.00 0.00 C ATOM 503 C ILE A 566 43.303 -0.916 4.726 1.00 0.00 C ATOM 504 O ILE A 566 44.328 -0.286 4.443 1.00 0.00 O ATOM 505 CB ILE A 566 41.916 -2.583 3.351 1.00 0.00 C ATOM 506 CG1 ILE A 566 41.974 -3.985 2.701 1.00 0.00 C ATOM 507 CG2 ILE A 566 41.823 -1.506 2.249 1.00 0.00 C ATOM 508 CD1 ILE A 566 40.672 -4.436 2.023 1.00 0.00 C ATOM 0 H ILE A 566 42.172 -3.581 5.668 1.00 0.00 H new ATOM 0 HA ILE A 566 44.026 -2.591 3.651 1.00 0.00 H new ATOM 0 HB ILE A 566 41.028 -2.504 3.978 1.00 0.00 H new ATOM 0 HG12 ILE A 566 42.774 -3.994 1.961 1.00 0.00 H new ATOM 0 HG13 ILE A 566 42.240 -4.714 3.467 1.00 0.00 H new ATOM 0 HG21 ILE A 566 40.944 -1.692 1.632 1.00 0.00 H new ATOM 0 HG22 ILE A 566 41.742 -0.521 2.709 1.00 0.00 H new ATOM 0 HG23 ILE A 566 42.717 -1.544 1.627 1.00 0.00 H new ATOM 0 HD11 ILE A 566 40.809 -5.430 1.596 1.00 0.00 H new ATOM 0 HD12 ILE A 566 39.869 -4.465 2.760 1.00 0.00 H new ATOM 0 HD13 ILE A 566 40.412 -3.734 1.231 1.00 0.00 H new ATOM 520 N CYS A 567 42.330 -0.406 5.486 1.00 0.00 N ATOM 521 CA CYS A 567 42.297 0.975 5.971 1.00 0.00 C ATOM 522 C CYS A 567 42.831 1.147 7.410 1.00 0.00 C ATOM 523 O CYS A 567 42.897 2.271 7.915 1.00 0.00 O ATOM 524 CB CYS A 567 40.879 1.535 5.765 1.00 0.00 C ATOM 525 SG CYS A 567 39.685 0.879 6.967 1.00 0.00 S ATOM 0 H CYS A 567 41.525 -0.955 5.788 1.00 0.00 H new ATOM 0 HA CYS A 567 42.997 1.567 5.381 1.00 0.00 H new ATOM 0 HB2 CYS A 567 40.907 2.622 5.843 1.00 0.00 H new ATOM 0 HB3 CYS A 567 40.541 1.296 4.756 1.00 0.00 H new ATOM 0 HG CYS A 567 39.602 -0.412 6.836 1.00 0.00 H new ATOM 530 N LYS A 568 43.250 0.043 8.041 1.00 0.00 N ATOM 531 CA LYS A 568 43.793 -0.061 9.405 1.00 0.00 C ATOM 532 C LYS A 568 42.774 0.403 10.460 1.00 0.00 C ATOM 533 O LYS A 568 43.117 1.155 11.372 1.00 0.00 O ATOM 534 CB LYS A 568 45.188 0.607 9.505 1.00 0.00 C ATOM 535 CG LYS A 568 46.327 -0.131 8.776 1.00 0.00 C ATOM 536 CD LYS A 568 46.150 -0.335 7.264 1.00 0.00 C ATOM 537 CE LYS A 568 47.451 -0.824 6.621 1.00 0.00 C ATOM 538 NZ LYS A 568 47.222 -1.271 5.222 1.00 0.00 N ATOM 0 H LYS A 568 43.217 -0.867 7.581 1.00 0.00 H new ATOM 0 HA LYS A 568 43.965 -1.112 9.636 1.00 0.00 H new ATOM 0 HB2 LYS A 568 45.118 1.618 9.104 1.00 0.00 H new ATOM 0 HB3 LYS A 568 45.453 0.700 10.558 1.00 0.00 H new ATOM 0 HG2 LYS A 568 47.252 0.421 8.940 1.00 0.00 H new ATOM 0 HG3 LYS A 568 46.453 -1.109 9.240 1.00 0.00 H new ATOM 0 HD2 LYS A 568 45.355 -1.059 7.081 1.00 0.00 H new ATOM 0 HD3 LYS A 568 45.841 0.602 6.801 1.00 0.00 H new ATOM 0 HE2 LYS A 568 48.190 -0.023 6.634 1.00 0.00 H new ATOM 0 HE3 LYS A 568 47.863 -1.646 7.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 48.120 -1.597 4.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 46.534 -2.051 5.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 46.852 -0.478 4.660 1.00 0.00 H new ATOM 552 N GLU A 569 41.514 -0.046 10.348 1.00 0.00 N ATOM 553 CA GLU A 569 40.429 0.422 11.246 1.00 0.00 C ATOM 554 C GLU A 569 39.689 -0.690 12.001 1.00 0.00 C ATOM 555 O GLU A 569 39.398 -1.742 11.448 1.00 0.00 O ATOM 556 CB GLU A 569 39.399 1.254 10.481 1.00 0.00 C ATOM 557 CG GLU A 569 39.870 2.667 10.093 1.00 0.00 C ATOM 558 CD GLU A 569 40.124 3.618 11.291 1.00 0.00 C ATOM 559 OE1 GLU A 569 40.755 4.684 11.087 1.00 0.00 O ATOM 560 OE2 GLU A 569 39.661 3.352 12.429 1.00 0.00 O ATOM 0 H GLU A 569 41.215 -0.728 9.651 1.00 0.00 H new ATOM 0 HA GLU A 569 40.946 1.025 11.992 1.00 0.00 H new ATOM 0 HB2 GLU A 569 39.121 0.717 9.574 1.00 0.00 H new ATOM 0 HB3 GLU A 569 38.499 1.341 11.089 1.00 0.00 H new ATOM 0 HG2 GLU A 569 40.789 2.582 9.513 1.00 0.00 H new ATOM 0 HG3 GLU A 569 39.122 3.118 9.441 1.00 0.00 H new ATOM 567 N THR A 570 39.328 -0.434 13.260 1.00 0.00 N ATOM 568 CA THR A 570 38.663 -1.410 14.134 1.00 0.00 C ATOM 569 C THR A 570 37.134 -1.389 13.991 1.00 0.00 C ATOM 570 O THR A 570 36.501 -0.353 14.210 1.00 0.00 O ATOM 571 CB THR A 570 39.080 -1.185 15.602 1.00 0.00 C ATOM 572 OG1 THR A 570 40.489 -1.293 15.702 1.00 0.00 O ATOM 573 CG2 THR A 570 38.469 -2.206 16.559 1.00 0.00 C ATOM 0 H THR A 570 39.490 0.467 13.709 1.00 0.00 H new ATOM 0 HA THR A 570 38.991 -2.400 13.817 1.00 0.00 H new ATOM 0 HB THR A 570 38.720 -0.196 15.884 1.00 0.00 H new ATOM 0 HG1 THR A 570 40.763 -1.150 16.632 1.00 0.00 H new ATOM 0 HG21 THR A 570 38.800 -1.995 17.576 1.00 0.00 H new ATOM 0 HG22 THR A 570 37.382 -2.145 16.511 1.00 0.00 H new ATOM 0 HG23 THR A 570 38.789 -3.208 16.274 1.00 0.00 H new ATOM 581 N VAL A 571 36.527 -2.532 13.643 1.00 0.00 N ATOM 582 CA VAL A 571 35.074 -2.764 13.721 1.00 0.00 C ATOM 583 C VAL A 571 34.680 -3.145 15.152 1.00 0.00 C ATOM 584 O VAL A 571 35.458 -3.774 15.870 1.00 0.00 O ATOM 585 CB VAL A 571 34.548 -3.850 12.764 1.00 0.00 C ATOM 586 CG1 VAL A 571 34.416 -3.313 11.341 1.00 0.00 C ATOM 587 CG2 VAL A 571 35.364 -5.138 12.735 1.00 0.00 C ATOM 0 H VAL A 571 37.041 -3.340 13.292 1.00 0.00 H new ATOM 0 HA VAL A 571 34.616 -1.823 13.414 1.00 0.00 H new ATOM 0 HB VAL A 571 33.572 -4.112 13.171 1.00 0.00 H new ATOM 0 HG11 VAL A 571 34.043 -4.102 10.688 1.00 0.00 H new ATOM 0 HG12 VAL A 571 33.720 -2.474 11.332 1.00 0.00 H new ATOM 0 HG13 VAL A 571 35.391 -2.979 10.986 1.00 0.00 H new ATOM 0 HG21 VAL A 571 34.913 -5.839 12.032 1.00 0.00 H new ATOM 0 HG22 VAL A 571 36.384 -4.915 12.422 1.00 0.00 H new ATOM 0 HG23 VAL A 571 35.379 -5.582 13.730 1.00 0.00 H new ATOM 597 N THR A 572 33.448 -2.821 15.545 1.00 0.00 N ATOM 598 CA THR A 572 32.842 -3.221 16.834 1.00 0.00 C ATOM 599 C THR A 572 31.440 -3.791 16.620 1.00 0.00 C ATOM 600 O THR A 572 30.741 -3.389 15.689 1.00 0.00 O ATOM 601 CB THR A 572 32.813 -2.063 17.847 1.00 0.00 C ATOM 602 OG1 THR A 572 32.136 -0.927 17.339 1.00 0.00 O ATOM 603 CG2 THR A 572 34.214 -1.604 18.240 1.00 0.00 C ATOM 0 H THR A 572 32.821 -2.260 14.968 1.00 0.00 H new ATOM 0 HA THR A 572 33.474 -4.001 17.258 1.00 0.00 H new ATOM 0 HB THR A 572 32.288 -2.463 18.715 1.00 0.00 H new ATOM 0 HG1 THR A 572 32.139 -0.216 18.013 1.00 0.00 H new ATOM 0 HG21 THR A 572 34.141 -0.786 18.956 1.00 0.00 H new ATOM 0 HG22 THR A 572 34.756 -2.435 18.692 1.00 0.00 H new ATOM 0 HG23 THR A 572 34.747 -1.263 17.353 1.00 0.00 H new ATOM 611 N GLY A 573 31.031 -4.744 17.460 1.00 0.00 N ATOM 612 CA GLY A 573 29.719 -5.399 17.384 1.00 0.00 C ATOM 613 C GLY A 573 28.545 -4.457 17.640 1.00 0.00 C ATOM 614 O GLY A 573 28.628 -3.569 18.494 1.00 0.00 O ATOM 0 H GLY A 573 31.610 -5.090 18.225 1.00 0.00 H new ATOM 0 HA2 GLY A 573 29.604 -5.848 16.398 1.00 0.00 H new ATOM 0 HA3 GLY A 573 29.686 -6.211 18.110 1.00 0.00 H new ATOM 618 N VAL A 574 27.438 -4.680 16.927 1.00 0.00 N ATOM 619 CA VAL A 574 26.200 -3.895 17.004 1.00 0.00 C ATOM 620 C VAL A 574 24.971 -4.802 17.048 1.00 0.00 C ATOM 621 O VAL A 574 24.830 -5.683 16.205 1.00 0.00 O ATOM 622 CB VAL A 574 26.085 -2.927 15.800 1.00 0.00 C ATOM 623 CG1 VAL A 574 24.793 -2.104 15.853 1.00 0.00 C ATOM 624 CG2 VAL A 574 27.265 -1.940 15.752 1.00 0.00 C ATOM 0 H VAL A 574 27.376 -5.443 16.253 1.00 0.00 H new ATOM 0 HA VAL A 574 26.240 -3.315 17.926 1.00 0.00 H new ATOM 0 HB VAL A 574 26.087 -3.557 14.911 1.00 0.00 H new ATOM 0 HG11 VAL A 574 24.750 -1.438 14.991 1.00 0.00 H new ATOM 0 HG12 VAL A 574 23.934 -2.774 15.836 1.00 0.00 H new ATOM 0 HG13 VAL A 574 24.775 -1.514 16.769 1.00 0.00 H new ATOM 0 HG21 VAL A 574 27.150 -1.277 14.894 1.00 0.00 H new ATOM 0 HG22 VAL A 574 27.283 -1.349 16.668 1.00 0.00 H new ATOM 0 HG23 VAL A 574 28.199 -2.494 15.660 1.00 0.00 H new ATOM 634 N TYR A 575 24.074 -4.609 18.017 1.00 0.00 N ATOM 635 CA TYR A 575 22.867 -5.436 18.174 1.00 0.00 C ATOM 636 C TYR A 575 21.866 -5.233 17.021 1.00 0.00 C ATOM 637 O TYR A 575 21.313 -4.146 16.855 1.00 0.00 O ATOM 638 CB TYR A 575 22.226 -5.130 19.536 1.00 0.00 C ATOM 639 CG TYR A 575 20.991 -5.954 19.840 1.00 0.00 C ATOM 640 CD1 TYR A 575 19.706 -5.385 19.721 1.00 0.00 C ATOM 641 CD2 TYR A 575 21.131 -7.293 20.262 1.00 0.00 C ATOM 642 CE1 TYR A 575 18.559 -6.143 20.025 1.00 0.00 C ATOM 643 CE2 TYR A 575 19.987 -8.053 20.572 1.00 0.00 C ATOM 644 CZ TYR A 575 18.701 -7.479 20.458 1.00 0.00 C ATOM 645 OH TYR A 575 17.603 -8.222 20.779 1.00 0.00 O ATOM 0 H TYR A 575 24.161 -3.874 18.719 1.00 0.00 H new ATOM 0 HA TYR A 575 23.157 -6.486 18.137 1.00 0.00 H new ATOM 0 HB2 TYR A 575 22.965 -5.300 20.319 1.00 0.00 H new ATOM 0 HB3 TYR A 575 21.962 -4.073 19.571 1.00 0.00 H new ATOM 0 HD1 TYR A 575 19.601 -4.361 19.394 1.00 0.00 H new ATOM 0 HD2 TYR A 575 22.113 -7.734 20.347 1.00 0.00 H new ATOM 0 HE1 TYR A 575 17.577 -5.705 19.927 1.00 0.00 H new ATOM 0 HE2 TYR A 575 20.093 -9.077 20.898 1.00 0.00 H new ATOM 0 HH TYR A 575 17.884 -9.119 21.056 1.00 0.00 H new ATOM 655 N ASP A 576 21.617 -6.281 16.232 1.00 0.00 N ATOM 656 CA ASP A 576 20.544 -6.322 15.232 1.00 0.00 C ATOM 657 C ASP A 576 19.209 -6.681 15.900 1.00 0.00 C ATOM 658 O ASP A 576 19.068 -7.743 16.512 1.00 0.00 O ATOM 659 CB ASP A 576 20.886 -7.329 14.126 1.00 0.00 C ATOM 660 CG ASP A 576 19.967 -7.137 12.907 1.00 0.00 C ATOM 661 OD1 ASP A 576 20.364 -6.376 11.990 1.00 0.00 O ATOM 662 OD2 ASP A 576 18.866 -7.732 12.876 1.00 0.00 O ATOM 0 H ASP A 576 22.164 -7.141 16.270 1.00 0.00 H new ATOM 0 HA ASP A 576 20.447 -5.335 14.779 1.00 0.00 H new ATOM 0 HB2 ASP A 576 21.926 -7.206 13.825 1.00 0.00 H new ATOM 0 HB3 ASP A 576 20.783 -8.345 14.508 1.00 0.00 H new ATOM 667 N GLU A 577 18.219 -5.793 15.772 1.00 0.00 N ATOM 668 CA GLU A 577 16.948 -5.843 16.511 1.00 0.00 C ATOM 669 C GLU A 577 16.018 -6.985 16.071 1.00 0.00 C ATOM 670 O GLU A 577 15.342 -7.576 16.913 1.00 0.00 O ATOM 671 CB GLU A 577 16.214 -4.498 16.353 1.00 0.00 C ATOM 672 CG GLU A 577 16.976 -3.298 16.940 1.00 0.00 C ATOM 673 CD GLU A 577 16.290 -1.946 16.631 1.00 0.00 C ATOM 674 OE1 GLU A 577 15.042 -1.839 16.722 1.00 0.00 O ATOM 675 OE2 GLU A 577 17.002 -0.965 16.299 1.00 0.00 O ATOM 0 H GLU A 577 18.278 -4.998 15.136 1.00 0.00 H new ATOM 0 HA GLU A 577 17.202 -6.035 17.553 1.00 0.00 H new ATOM 0 HB2 GLU A 577 16.032 -4.317 15.294 1.00 0.00 H new ATOM 0 HB3 GLU A 577 15.240 -4.568 16.836 1.00 0.00 H new ATOM 0 HG2 GLU A 577 17.060 -3.419 18.020 1.00 0.00 H new ATOM 0 HG3 GLU A 577 17.990 -3.286 16.540 1.00 0.00 H new ATOM 682 N GLU A 578 15.974 -7.325 14.778 1.00 0.00 N ATOM 683 CA GLU A 578 15.094 -8.384 14.252 1.00 0.00 C ATOM 684 C GLU A 578 15.742 -9.775 14.277 1.00 0.00 C ATOM 685 O GLU A 578 15.054 -10.764 14.536 1.00 0.00 O ATOM 686 CB GLU A 578 14.627 -8.034 12.825 1.00 0.00 C ATOM 687 CG GLU A 578 13.719 -6.788 12.798 1.00 0.00 C ATOM 688 CD GLU A 578 12.843 -6.711 11.530 1.00 0.00 C ATOM 689 OE1 GLU A 578 13.341 -6.963 10.403 1.00 0.00 O ATOM 690 OE2 GLU A 578 11.636 -6.386 11.653 1.00 0.00 O ATOM 0 H GLU A 578 16.546 -6.876 14.063 1.00 0.00 H new ATOM 0 HA GLU A 578 14.232 -8.431 14.917 1.00 0.00 H new ATOM 0 HB2 GLU A 578 15.497 -7.861 12.192 1.00 0.00 H new ATOM 0 HB3 GLU A 578 14.089 -8.883 12.402 1.00 0.00 H new ATOM 0 HG2 GLU A 578 13.076 -6.794 13.678 1.00 0.00 H new ATOM 0 HG3 GLU A 578 14.337 -5.893 12.861 1.00 0.00 H new ATOM 697 N SER A 579 17.060 -9.867 14.070 1.00 0.00 N ATOM 698 CA SER A 579 17.816 -11.116 14.288 1.00 0.00 C ATOM 699 C SER A 579 17.965 -11.429 15.779 1.00 0.00 C ATOM 700 O SER A 579 18.018 -12.595 16.170 1.00 0.00 O ATOM 701 CB SER A 579 19.225 -11.026 13.671 1.00 0.00 C ATOM 702 OG SER A 579 19.167 -10.654 12.300 1.00 0.00 O ATOM 0 H SER A 579 17.634 -9.087 13.749 1.00 0.00 H new ATOM 0 HA SER A 579 17.249 -11.911 13.804 1.00 0.00 H new ATOM 0 HB2 SER A 579 19.820 -10.298 14.223 1.00 0.00 H new ATOM 0 HB3 SER A 579 19.729 -11.988 13.768 1.00 0.00 H new ATOM 0 HG SER A 579 19.046 -9.684 12.229 1.00 0.00 H new ATOM 708 N GLY A 580 18.017 -10.392 16.624 1.00 0.00 N ATOM 709 CA GLY A 580 18.212 -10.483 18.069 1.00 0.00 C ATOM 710 C GLY A 580 19.657 -10.804 18.474 1.00 0.00 C ATOM 711 O GLY A 580 19.875 -11.466 19.494 1.00 0.00 O ATOM 0 H GLY A 580 17.920 -9.429 16.302 1.00 0.00 H new ATOM 0 HA2 GLY A 580 17.916 -9.539 18.527 1.00 0.00 H new ATOM 0 HA3 GLY A 580 17.552 -11.253 18.469 1.00 0.00 H new ATOM 715 N GLU A 581 20.640 -10.403 17.658 1.00 0.00 N ATOM 716 CA GLU A 581 22.048 -10.813 17.788 1.00 0.00 C ATOM 717 C GLU A 581 23.018 -9.691 17.397 1.00 0.00 C ATOM 718 O GLU A 581 22.744 -8.874 16.520 1.00 0.00 O ATOM 719 CB GLU A 581 22.352 -12.044 16.912 1.00 0.00 C ATOM 720 CG GLU A 581 21.600 -13.343 17.261 1.00 0.00 C ATOM 721 CD GLU A 581 21.909 -13.931 18.661 1.00 0.00 C ATOM 722 OE1 GLU A 581 21.139 -14.806 19.128 1.00 0.00 O ATOM 723 OE2 GLU A 581 22.954 -13.607 19.276 1.00 0.00 O ATOM 0 H GLU A 581 20.478 -9.772 16.873 1.00 0.00 H new ATOM 0 HA GLU A 581 22.194 -11.057 18.840 1.00 0.00 H new ATOM 0 HB2 GLU A 581 22.128 -11.789 15.876 1.00 0.00 H new ATOM 0 HB3 GLU A 581 23.422 -12.245 16.966 1.00 0.00 H new ATOM 0 HG2 GLU A 581 20.529 -13.153 17.193 1.00 0.00 H new ATOM 0 HG3 GLU A 581 21.838 -14.095 16.509 1.00 0.00 H new ATOM 730 N TRP A 582 24.181 -9.651 18.034 1.00 0.00 N ATOM 731 CA TRP A 582 25.233 -8.670 17.746 1.00 0.00 C ATOM 732 C TRP A 582 25.963 -9.014 16.442 1.00 0.00 C ATOM 733 O TRP A 582 26.340 -10.165 16.233 1.00 0.00 O ATOM 734 CB TRP A 582 26.182 -8.603 18.942 1.00 0.00 C ATOM 735 CG TRP A 582 25.557 -8.141 20.228 1.00 0.00 C ATOM 736 CD1 TRP A 582 24.901 -8.922 21.116 1.00 0.00 C ATOM 737 CD2 TRP A 582 25.536 -6.795 20.794 1.00 0.00 C ATOM 738 NE1 TRP A 582 24.459 -8.153 22.175 1.00 0.00 N ATOM 739 CE2 TRP A 582 24.823 -6.835 22.028 1.00 0.00 C ATOM 740 CE3 TRP A 582 26.063 -5.543 20.404 1.00 0.00 C ATOM 741 CZ2 TRP A 582 24.603 -5.688 22.812 1.00 0.00 C ATOM 742 CZ3 TRP A 582 25.862 -4.387 21.184 1.00 0.00 C ATOM 743 CH2 TRP A 582 25.124 -4.454 22.381 1.00 0.00 C ATOM 0 H TRP A 582 24.429 -10.305 18.776 1.00 0.00 H new ATOM 0 HA TRP A 582 24.792 -7.684 17.597 1.00 0.00 H new ATOM 0 HB2 TRP A 582 26.612 -9.592 19.100 1.00 0.00 H new ATOM 0 HB3 TRP A 582 27.005 -7.933 18.695 1.00 0.00 H new ATOM 0 HD1 TRP A 582 24.746 -9.986 21.013 1.00 0.00 H new ATOM 0 HE1 TRP A 582 23.929 -8.517 22.967 1.00 0.00 H new ATOM 0 HE3 TRP A 582 26.632 -5.471 19.489 1.00 0.00 H new ATOM 0 HZ2 TRP A 582 24.042 -5.754 23.732 1.00 0.00 H new ATOM 0 HZ3 TRP A 582 26.277 -3.443 20.862 1.00 0.00 H new ATOM 0 HH2 TRP A 582 24.958 -3.562 22.966 1.00 0.00 H new ATOM 754 N VAL A 583 26.197 -8.029 15.574 1.00 0.00 N ATOM 755 CA VAL A 583 26.762 -8.173 14.221 1.00 0.00 C ATOM 756 C VAL A 583 27.804 -7.097 13.915 1.00 0.00 C ATOM 757 O VAL A 583 27.736 -5.986 14.435 1.00 0.00 O ATOM 758 CB VAL A 583 25.665 -8.150 13.135 1.00 0.00 C ATOM 759 CG1 VAL A 583 24.759 -9.386 13.168 1.00 0.00 C ATOM 760 CG2 VAL A 583 24.755 -6.920 13.192 1.00 0.00 C ATOM 0 H VAL A 583 25.989 -7.057 15.802 1.00 0.00 H new ATOM 0 HA VAL A 583 27.253 -9.146 14.203 1.00 0.00 H new ATOM 0 HB VAL A 583 26.241 -8.128 12.210 1.00 0.00 H new ATOM 0 HG11 VAL A 583 24.009 -9.309 12.380 1.00 0.00 H new ATOM 0 HG12 VAL A 583 25.360 -10.282 13.011 1.00 0.00 H new ATOM 0 HG13 VAL A 583 24.263 -9.448 14.136 1.00 0.00 H new ATOM 0 HG21 VAL A 583 24.012 -6.980 12.397 1.00 0.00 H new ATOM 0 HG22 VAL A 583 24.251 -6.885 14.158 1.00 0.00 H new ATOM 0 HG23 VAL A 583 25.353 -6.018 13.062 1.00 0.00 H new ATOM 770 N TRP A 584 28.750 -7.420 13.040 1.00 0.00 N ATOM 771 CA TRP A 584 29.728 -6.505 12.455 1.00 0.00 C ATOM 772 C TRP A 584 29.172 -6.002 11.118 1.00 0.00 C ATOM 773 O TRP A 584 29.126 -6.751 10.146 1.00 0.00 O ATOM 774 CB TRP A 584 31.058 -7.256 12.314 1.00 0.00 C ATOM 775 CG TRP A 584 31.869 -7.439 13.564 1.00 0.00 C ATOM 776 CD1 TRP A 584 32.207 -6.461 14.429 1.00 0.00 C ATOM 777 CD2 TRP A 584 32.479 -8.659 14.085 1.00 0.00 C ATOM 778 NE1 TRP A 584 32.992 -6.971 15.446 1.00 0.00 N ATOM 779 CE2 TRP A 584 33.217 -8.317 15.265 1.00 0.00 C ATOM 780 CE3 TRP A 584 32.483 -10.020 13.702 1.00 0.00 C ATOM 781 CZ2 TRP A 584 33.926 -9.280 16.001 1.00 0.00 C ATOM 782 CZ3 TRP A 584 33.186 -10.991 14.440 1.00 0.00 C ATOM 783 CH2 TRP A 584 33.921 -10.616 15.577 1.00 0.00 C ATOM 0 H TRP A 584 28.863 -8.375 12.701 1.00 0.00 H new ATOM 0 HA TRP A 584 29.911 -5.631 13.081 1.00 0.00 H new ATOM 0 HB2 TRP A 584 30.849 -8.241 11.898 1.00 0.00 H new ATOM 0 HB3 TRP A 584 31.672 -6.726 11.586 1.00 0.00 H new ATOM 0 HD1 TRP A 584 31.907 -5.427 14.340 1.00 0.00 H new ATOM 0 HE1 TRP A 584 33.356 -6.423 16.226 1.00 0.00 H new ATOM 0 HE3 TRP A 584 31.934 -10.322 12.822 1.00 0.00 H new ATOM 0 HZ2 TRP A 584 34.472 -8.993 16.888 1.00 0.00 H new ATOM 0 HZ3 TRP A 584 33.160 -12.026 14.132 1.00 0.00 H new ATOM 0 HH2 TRP A 584 34.483 -11.358 16.125 1.00 0.00 H new ATOM 794 N LYS A 585 28.660 -4.765 11.107 1.00 0.00 N ATOM 795 CA LYS A 585 28.050 -4.124 9.923 1.00 0.00 C ATOM 796 C LYS A 585 29.112 -3.604 8.940 1.00 0.00 C ATOM 797 O LYS A 585 30.151 -3.113 9.373 1.00 0.00 O ATOM 798 CB LYS A 585 27.097 -2.997 10.359 1.00 0.00 C ATOM 799 CG LYS A 585 25.858 -3.434 11.167 1.00 0.00 C ATOM 800 CD LYS A 585 24.870 -4.330 10.380 1.00 0.00 C ATOM 801 CE LYS A 585 23.533 -4.438 11.113 1.00 0.00 C ATOM 802 NZ LYS A 585 22.583 -5.344 10.409 1.00 0.00 N ATOM 0 H LYS A 585 28.655 -4.166 11.933 1.00 0.00 H new ATOM 0 HA LYS A 585 27.474 -4.882 9.393 1.00 0.00 H new ATOM 0 HB2 LYS A 585 27.662 -2.281 10.956 1.00 0.00 H new ATOM 0 HB3 LYS A 585 26.757 -2.470 9.467 1.00 0.00 H new ATOM 0 HG2 LYS A 585 26.189 -3.971 12.056 1.00 0.00 H new ATOM 0 HG3 LYS A 585 25.330 -2.544 11.510 1.00 0.00 H new ATOM 0 HD2 LYS A 585 24.711 -3.917 9.384 1.00 0.00 H new ATOM 0 HD3 LYS A 585 25.299 -5.323 10.248 1.00 0.00 H new ATOM 0 HE2 LYS A 585 23.703 -4.806 12.125 1.00 0.00 H new ATOM 0 HE3 LYS A 585 23.089 -3.447 11.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 585 21.897 -5.726 11.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 585 22.078 -4.812 9.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 585 23.109 -6.127 9.972 1.00 0.00 H new ATOM 816 N ASN A 586 28.821 -3.667 7.632 1.00 0.00 N ATOM 817 CA ASN A 586 29.745 -3.302 6.537 1.00 0.00 C ATOM 818 C ASN A 586 31.029 -4.171 6.560 1.00 0.00 C ATOM 819 O ASN A 586 32.132 -3.688 6.292 1.00 0.00 O ATOM 820 CB ASN A 586 29.924 -1.761 6.544 1.00 0.00 C ATOM 821 CG ASN A 586 30.758 -1.093 5.448 1.00 0.00 C ATOM 822 OD1 ASN A 586 31.153 0.055 5.596 1.00 0.00 O ATOM 823 ND2 ASN A 586 31.047 -1.694 4.313 1.00 0.00 N ATOM 0 H ASN A 586 27.912 -3.982 7.293 1.00 0.00 H new ATOM 0 HA ASN A 586 29.334 -3.542 5.556 1.00 0.00 H new ATOM 0 HB2 ASN A 586 28.929 -1.317 6.514 1.00 0.00 H new ATOM 0 HB3 ASN A 586 30.366 -1.488 7.502 1.00 0.00 H new ATOM 0 HD21 ASN A 586 31.582 -1.202 3.597 1.00 0.00 H new ATOM 0 HD22 ASN A 586 30.736 -2.652 4.149 1.00 0.00 H new ATOM 830 N THR A 587 30.889 -5.461 6.892 1.00 0.00 N ATOM 831 CA THR A 587 32.010 -6.394 7.147 1.00 0.00 C ATOM 832 C THR A 587 31.884 -7.688 6.338 1.00 0.00 C ATOM 833 O THR A 587 30.781 -8.172 6.063 1.00 0.00 O ATOM 834 CB THR A 587 32.126 -6.699 8.652 1.00 0.00 C ATOM 835 OG1 THR A 587 32.170 -5.500 9.391 1.00 0.00 O ATOM 836 CG2 THR A 587 33.364 -7.494 9.065 1.00 0.00 C ATOM 0 H THR A 587 29.975 -5.901 6.995 1.00 0.00 H new ATOM 0 HA THR A 587 32.924 -5.900 6.816 1.00 0.00 H new ATOM 0 HB THR A 587 31.246 -7.307 8.862 1.00 0.00 H new ATOM 0 HG1 THR A 587 32.846 -4.904 9.007 1.00 0.00 H new ATOM 0 HG21 THR A 587 33.350 -7.655 10.143 1.00 0.00 H new ATOM 0 HG22 THR A 587 33.365 -8.457 8.554 1.00 0.00 H new ATOM 0 HG23 THR A 587 34.261 -6.938 8.793 1.00 0.00 H new ATOM 844 N ILE A 588 33.036 -8.262 5.986 1.00 0.00 N ATOM 845 CA ILE A 588 33.220 -9.516 5.248 1.00 0.00 C ATOM 846 C ILE A 588 34.318 -10.364 5.908 1.00 0.00 C ATOM 847 O ILE A 588 35.302 -9.834 6.424 1.00 0.00 O ATOM 848 CB ILE A 588 33.493 -9.216 3.749 1.00 0.00 C ATOM 849 CG1 ILE A 588 33.665 -10.516 2.933 1.00 0.00 C ATOM 850 CG2 ILE A 588 34.743 -8.346 3.527 1.00 0.00 C ATOM 851 CD1 ILE A 588 33.612 -10.320 1.414 1.00 0.00 C ATOM 0 H ILE A 588 33.930 -7.833 6.226 1.00 0.00 H new ATOM 0 HA ILE A 588 32.306 -10.109 5.287 1.00 0.00 H new ATOM 0 HB ILE A 588 32.617 -8.666 3.406 1.00 0.00 H new ATOM 0 HG12 ILE A 588 34.620 -10.972 3.195 1.00 0.00 H new ATOM 0 HG13 ILE A 588 32.885 -11.220 3.224 1.00 0.00 H new ATOM 0 HG21 ILE A 588 34.880 -8.172 2.460 1.00 0.00 H new ATOM 0 HG22 ILE A 588 34.617 -7.391 4.038 1.00 0.00 H new ATOM 0 HG23 ILE A 588 35.618 -8.858 3.926 1.00 0.00 H new ATOM 0 HD11 ILE A 588 33.741 -11.282 0.918 1.00 0.00 H new ATOM 0 HD12 ILE A 588 32.648 -9.895 1.135 1.00 0.00 H new ATOM 0 HD13 ILE A 588 34.409 -9.643 1.106 1.00 0.00 H new ATOM 863 N GLU A 589 34.149 -11.688 5.885 1.00 0.00 N ATOM 864 CA GLU A 589 35.182 -12.665 6.256 1.00 0.00 C ATOM 865 C GLU A 589 35.734 -13.346 4.990 1.00 0.00 C ATOM 866 O GLU A 589 34.966 -13.886 4.190 1.00 0.00 O ATOM 867 CB GLU A 589 34.603 -13.679 7.256 1.00 0.00 C ATOM 868 CG GLU A 589 35.682 -14.619 7.823 1.00 0.00 C ATOM 869 CD GLU A 589 35.132 -15.709 8.773 1.00 0.00 C ATOM 870 OE1 GLU A 589 34.010 -15.583 9.323 1.00 0.00 O ATOM 871 OE2 GLU A 589 35.838 -16.729 8.968 1.00 0.00 O ATOM 0 H GLU A 589 33.271 -12.123 5.602 1.00 0.00 H new ATOM 0 HA GLU A 589 36.015 -12.160 6.746 1.00 0.00 H new ATOM 0 HB2 GLU A 589 34.122 -13.144 8.075 1.00 0.00 H new ATOM 0 HB3 GLU A 589 33.830 -14.270 6.765 1.00 0.00 H new ATOM 0 HG2 GLU A 589 36.200 -15.102 6.994 1.00 0.00 H new ATOM 0 HG3 GLU A 589 36.422 -14.024 8.359 1.00 0.00 H new ATOM 878 N VAL A 590 37.054 -13.311 4.801 1.00 0.00 N ATOM 879 CA VAL A 590 37.742 -13.832 3.607 1.00 0.00 C ATOM 880 C VAL A 590 39.165 -14.269 3.934 1.00 0.00 C ATOM 881 O VAL A 590 39.908 -13.590 4.645 1.00 0.00 O ATOM 882 CB VAL A 590 37.635 -12.832 2.432 1.00 0.00 C ATOM 883 CG1 VAL A 590 38.177 -11.434 2.744 1.00 0.00 C ATOM 884 CG2 VAL A 590 38.333 -13.347 1.168 1.00 0.00 C ATOM 0 H VAL A 590 37.694 -12.911 5.487 1.00 0.00 H new ATOM 0 HA VAL A 590 37.237 -14.738 3.270 1.00 0.00 H new ATOM 0 HB VAL A 590 36.562 -12.747 2.262 1.00 0.00 H new ATOM 0 HG11 VAL A 590 38.064 -10.796 1.868 1.00 0.00 H new ATOM 0 HG12 VAL A 590 37.621 -11.006 3.578 1.00 0.00 H new ATOM 0 HG13 VAL A 590 39.232 -11.504 3.008 1.00 0.00 H new ATOM 0 HG21 VAL A 590 38.231 -12.611 0.371 1.00 0.00 H new ATOM 0 HG22 VAL A 590 39.390 -13.511 1.377 1.00 0.00 H new ATOM 0 HG23 VAL A 590 37.875 -14.286 0.856 1.00 0.00 H new ATOM 894 N ASN A 591 39.518 -15.451 3.428 1.00 0.00 N ATOM 895 CA ASN A 591 40.815 -16.091 3.628 1.00 0.00 C ATOM 896 C ASN A 591 41.235 -16.231 5.117 1.00 0.00 C ATOM 897 O ASN A 591 42.411 -16.120 5.471 1.00 0.00 O ATOM 898 CB ASN A 591 41.839 -15.386 2.730 1.00 0.00 C ATOM 899 CG ASN A 591 41.503 -15.409 1.246 1.00 0.00 C ATOM 900 OD1 ASN A 591 40.812 -16.284 0.737 1.00 0.00 O ATOM 901 ND2 ASN A 591 41.977 -14.446 0.492 1.00 0.00 N ATOM 0 H ASN A 591 38.887 -16.006 2.849 1.00 0.00 H new ATOM 0 HA ASN A 591 40.751 -17.135 3.323 1.00 0.00 H new ATOM 0 HB2 ASN A 591 41.932 -14.349 3.052 1.00 0.00 H new ATOM 0 HB3 ASN A 591 42.813 -15.853 2.876 1.00 0.00 H new ATOM 0 HD21 ASN A 591 41.769 -14.431 -0.507 1.00 0.00 H new ATOM 0 HD22 ASN A 591 42.553 -13.712 0.904 1.00 0.00 H new ATOM 908 N GLY A 592 40.255 -16.473 5.999 1.00 0.00 N ATOM 909 CA GLY A 592 40.448 -16.643 7.448 1.00 0.00 C ATOM 910 C GLY A 592 40.603 -15.343 8.256 1.00 0.00 C ATOM 911 O GLY A 592 40.901 -15.416 9.455 1.00 0.00 O ATOM 0 H GLY A 592 39.278 -16.558 5.717 1.00 0.00 H new ATOM 0 HA2 GLY A 592 39.599 -17.198 7.847 1.00 0.00 H new ATOM 0 HA3 GLY A 592 41.334 -17.257 7.609 1.00 0.00 H new ATOM 915 N LYS A 593 40.416 -14.167 7.637 1.00 0.00 N ATOM 916 CA LYS A 593 40.541 -12.837 8.270 1.00 0.00 C ATOM 917 C LYS A 593 39.332 -11.939 7.984 1.00 0.00 C ATOM 918 O LYS A 593 38.598 -12.152 7.017 1.00 0.00 O ATOM 919 CB LYS A 593 41.855 -12.167 7.822 1.00 0.00 C ATOM 920 CG LYS A 593 43.106 -12.901 8.332 1.00 0.00 C ATOM 921 CD LYS A 593 44.392 -12.181 7.922 1.00 0.00 C ATOM 922 CE LYS A 593 45.603 -12.952 8.459 1.00 0.00 C ATOM 923 NZ LYS A 593 46.879 -12.310 8.049 1.00 0.00 N ATOM 0 H LYS A 593 40.165 -14.110 6.650 1.00 0.00 H new ATOM 0 HA LYS A 593 40.566 -12.981 9.350 1.00 0.00 H new ATOM 0 HB2 LYS A 593 41.883 -12.126 6.733 1.00 0.00 H new ATOM 0 HB3 LYS A 593 41.873 -11.138 8.180 1.00 0.00 H new ATOM 0 HG2 LYS A 593 43.064 -12.980 9.418 1.00 0.00 H new ATOM 0 HG3 LYS A 593 43.117 -13.918 7.939 1.00 0.00 H new ATOM 0 HD2 LYS A 593 44.448 -12.105 6.836 1.00 0.00 H new ATOM 0 HD3 LYS A 593 44.392 -11.164 8.313 1.00 0.00 H new ATOM 0 HE2 LYS A 593 45.552 -13.001 9.547 1.00 0.00 H new ATOM 0 HE3 LYS A 593 45.575 -13.978 8.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 593 47.679 -12.855 8.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 593 46.937 -12.285 7.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 593 46.914 -11.339 8.421 1.00 0.00 H new ATOM 937 N TYR A 594 39.122 -10.931 8.830 1.00 0.00 N ATOM 938 CA TYR A 594 38.064 -9.929 8.665 1.00 0.00 C ATOM 939 C TYR A 594 38.531 -8.686 7.910 1.00 0.00 C ATOM 940 O TYR A 594 39.690 -8.266 7.992 1.00 0.00 O ATOM 941 CB TYR A 594 37.492 -9.526 10.020 1.00 0.00 C ATOM 942 CG TYR A 594 36.726 -10.651 10.687 1.00 0.00 C ATOM 943 CD1 TYR A 594 35.456 -10.994 10.182 1.00 0.00 C ATOM 944 CD2 TYR A 594 37.292 -11.401 11.739 1.00 0.00 C ATOM 945 CE1 TYR A 594 34.751 -12.086 10.720 1.00 0.00 C ATOM 946 CE2 TYR A 594 36.581 -12.486 12.288 1.00 0.00 C ATOM 947 CZ TYR A 594 35.309 -12.832 11.779 1.00 0.00 C ATOM 948 OH TYR A 594 34.644 -13.907 12.288 1.00 0.00 O ATOM 0 H TYR A 594 39.691 -10.783 9.664 1.00 0.00 H new ATOM 0 HA TYR A 594 37.287 -10.399 8.062 1.00 0.00 H new ATOM 0 HB2 TYR A 594 38.305 -9.207 10.673 1.00 0.00 H new ATOM 0 HB3 TYR A 594 36.832 -8.668 9.891 1.00 0.00 H new ATOM 0 HD1 TYR A 594 35.022 -10.416 9.379 1.00 0.00 H new ATOM 0 HD2 TYR A 594 38.268 -11.144 12.123 1.00 0.00 H new ATOM 0 HE1 TYR A 594 33.783 -12.353 10.322 1.00 0.00 H new ATOM 0 HE2 TYR A 594 37.009 -13.055 13.100 1.00 0.00 H new ATOM 0 HH TYR A 594 35.172 -14.306 13.011 1.00 0.00 H new ATOM 958 N PHE A 595 37.580 -8.091 7.201 1.00 0.00 N ATOM 959 CA PHE A 595 37.748 -6.932 6.325 1.00 0.00 C ATOM 960 C PHE A 595 36.432 -6.143 6.250 1.00 0.00 C ATOM 961 O PHE A 595 35.360 -6.687 6.523 1.00 0.00 O ATOM 962 CB PHE A 595 38.141 -7.441 4.925 1.00 0.00 C ATOM 963 CG PHE A 595 39.552 -7.980 4.784 1.00 0.00 C ATOM 964 CD1 PHE A 595 39.804 -9.360 4.926 1.00 0.00 C ATOM 965 CD2 PHE A 595 40.613 -7.108 4.484 1.00 0.00 C ATOM 966 CE1 PHE A 595 41.104 -9.865 4.750 1.00 0.00 C ATOM 967 CE2 PHE A 595 41.913 -7.613 4.300 1.00 0.00 C ATOM 968 CZ PHE A 595 42.158 -8.990 4.439 1.00 0.00 C ATOM 0 H PHE A 595 36.615 -8.421 7.221 1.00 0.00 H new ATOM 0 HA PHE A 595 38.524 -6.272 6.713 1.00 0.00 H new ATOM 0 HB2 PHE A 595 37.443 -8.227 4.637 1.00 0.00 H new ATOM 0 HB3 PHE A 595 38.013 -6.625 4.214 1.00 0.00 H new ATOM 0 HD1 PHE A 595 38.995 -10.032 5.171 1.00 0.00 H new ATOM 0 HD2 PHE A 595 40.430 -6.047 4.395 1.00 0.00 H new ATOM 0 HE1 PHE A 595 41.292 -10.923 4.854 1.00 0.00 H new ATOM 0 HE2 PHE A 595 42.723 -6.943 4.052 1.00 0.00 H new ATOM 0 HZ PHE A 595 43.158 -9.376 4.307 1.00 0.00 H new ATOM 978 N HIS A 596 36.473 -4.870 5.852 1.00 0.00 N ATOM 979 CA HIS A 596 35.242 -4.140 5.504 1.00 0.00 C ATOM 980 C HIS A 596 34.787 -4.596 4.116 1.00 0.00 C ATOM 981 O HIS A 596 35.615 -4.773 3.217 1.00 0.00 O ATOM 982 CB HIS A 596 35.462 -2.634 5.485 1.00 0.00 C ATOM 983 CG HIS A 596 35.615 -1.946 6.808 1.00 0.00 C ATOM 984 ND1 HIS A 596 36.746 -1.203 7.106 1.00 0.00 N ATOM 985 CD2 HIS A 596 34.729 -1.875 7.843 1.00 0.00 C ATOM 986 CE1 HIS A 596 36.536 -0.692 8.330 1.00 0.00 C ATOM 987 NE2 HIS A 596 35.328 -1.077 8.796 1.00 0.00 N ATOM 0 H HIS A 596 37.330 -4.325 5.762 1.00 0.00 H new ATOM 0 HA HIS A 596 34.487 -4.357 6.260 1.00 0.00 H new ATOM 0 HB2 HIS A 596 36.355 -2.431 4.894 1.00 0.00 H new ATOM 0 HB3 HIS A 596 34.622 -2.177 4.962 1.00 0.00 H new ATOM 0 HD2 HIS A 596 33.759 -2.346 7.904 1.00 0.00 H new ATOM 0 HE1 HIS A 596 37.233 -0.064 8.865 1.00 0.00 H new ATOM 0 HE2 HIS A 596 34.927 -0.821 9.698 1.00 0.00 H new ATOM 995 N SER A 597 33.481 -4.767 3.910 1.00 0.00 N ATOM 996 CA SER A 597 32.934 -5.248 2.634 1.00 0.00 C ATOM 997 C SER A 597 33.207 -4.272 1.479 1.00 0.00 C ATOM 998 O SER A 597 33.591 -4.700 0.388 1.00 0.00 O ATOM 999 CB SER A 597 31.437 -5.526 2.797 1.00 0.00 C ATOM 1000 OG SER A 597 30.761 -4.383 3.290 1.00 0.00 O ATOM 0 H SER A 597 32.772 -4.578 4.618 1.00 0.00 H new ATOM 0 HA SER A 597 33.442 -6.175 2.369 1.00 0.00 H new ATOM 0 HB2 SER A 597 31.011 -5.820 1.838 1.00 0.00 H new ATOM 0 HB3 SER A 597 31.291 -6.363 3.480 1.00 0.00 H new ATOM 0 HG SER A 597 29.865 -4.338 2.897 1.00 0.00 H new ATOM 1006 N THR A 598 33.091 -2.964 1.722 1.00 0.00 N ATOM 1007 CA THR A 598 33.422 -1.897 0.758 1.00 0.00 C ATOM 1008 C THR A 598 34.926 -1.778 0.483 1.00 0.00 C ATOM 1009 O THR A 598 35.310 -1.669 -0.681 1.00 0.00 O ATOM 1010 CB THR A 598 32.870 -0.539 1.238 1.00 0.00 C ATOM 1011 OG1 THR A 598 33.097 -0.363 2.624 1.00 0.00 O ATOM 1012 CG2 THR A 598 31.366 -0.424 1.023 1.00 0.00 C ATOM 0 H THR A 598 32.756 -2.603 2.615 1.00 0.00 H new ATOM 0 HA THR A 598 32.945 -2.178 -0.181 1.00 0.00 H new ATOM 0 HB THR A 598 33.391 0.218 0.652 1.00 0.00 H new ATOM 0 HG1 THR A 598 32.740 0.505 2.906 1.00 0.00 H new ATOM 0 HG21 THR A 598 31.021 0.548 1.376 1.00 0.00 H new ATOM 0 HG22 THR A 598 31.141 -0.525 -0.039 1.00 0.00 H new ATOM 0 HG23 THR A 598 30.858 -1.212 1.578 1.00 0.00 H new ATOM 1020 N CYS A 599 35.776 -1.867 1.515 1.00 0.00 N ATOM 1021 CA CYS A 599 37.235 -1.896 1.383 1.00 0.00 C ATOM 1022 C CYS A 599 37.683 -3.067 0.484 1.00 0.00 C ATOM 1023 O CYS A 599 38.382 -2.861 -0.508 1.00 0.00 O ATOM 1024 CB CYS A 599 37.866 -1.987 2.781 1.00 0.00 C ATOM 1025 SG CYS A 599 37.688 -0.429 3.721 1.00 0.00 S ATOM 0 H CYS A 599 35.460 -1.922 2.483 1.00 0.00 H new ATOM 0 HA CYS A 599 37.574 -0.978 0.903 1.00 0.00 H new ATOM 0 HB2 CYS A 599 37.399 -2.800 3.337 1.00 0.00 H new ATOM 0 HB3 CYS A 599 38.924 -2.233 2.685 1.00 0.00 H new ATOM 0 HG CYS A 599 37.534 -0.699 4.983 1.00 0.00 H new ATOM 1030 N TYR A 600 37.264 -4.289 0.829 1.00 0.00 N ATOM 1031 CA TYR A 600 37.567 -5.504 0.072 1.00 0.00 C ATOM 1032 C TYR A 600 37.130 -5.388 -1.396 1.00 0.00 C ATOM 1033 O TYR A 600 37.931 -5.630 -2.298 1.00 0.00 O ATOM 1034 CB TYR A 600 36.916 -6.702 0.772 1.00 0.00 C ATOM 1035 CG TYR A 600 36.940 -7.967 -0.069 1.00 0.00 C ATOM 1036 CD1 TYR A 600 38.107 -8.748 -0.118 1.00 0.00 C ATOM 1037 CD2 TYR A 600 35.820 -8.327 -0.843 1.00 0.00 C ATOM 1038 CE1 TYR A 600 38.157 -9.897 -0.933 1.00 0.00 C ATOM 1039 CE2 TYR A 600 35.867 -9.476 -1.656 1.00 0.00 C ATOM 1040 CZ TYR A 600 37.035 -10.263 -1.705 1.00 0.00 C ATOM 1041 OH TYR A 600 37.069 -11.361 -2.507 1.00 0.00 O ATOM 0 H TYR A 600 36.695 -4.462 1.657 1.00 0.00 H new ATOM 0 HA TYR A 600 38.647 -5.650 0.050 1.00 0.00 H new ATOM 0 HB2 TYR A 600 37.431 -6.889 1.714 1.00 0.00 H new ATOM 0 HB3 TYR A 600 35.883 -6.455 1.017 1.00 0.00 H new ATOM 0 HD1 TYR A 600 38.968 -8.467 0.470 1.00 0.00 H new ATOM 0 HD2 TYR A 600 34.926 -7.722 -0.813 1.00 0.00 H new ATOM 0 HE1 TYR A 600 39.054 -10.497 -0.966 1.00 0.00 H new ATOM 0 HE2 TYR A 600 35.005 -9.755 -2.244 1.00 0.00 H new ATOM 0 HH TYR A 600 36.207 -11.460 -2.963 1.00 0.00 H new ATOM 1051 N HIS A 601 35.889 -4.955 -1.646 1.00 0.00 N ATOM 1052 CA HIS A 601 35.343 -4.825 -3.005 1.00 0.00 C ATOM 1053 C HIS A 601 36.096 -3.794 -3.862 1.00 0.00 C ATOM 1054 O HIS A 601 36.374 -4.051 -5.032 1.00 0.00 O ATOM 1055 CB HIS A 601 33.851 -4.485 -2.907 1.00 0.00 C ATOM 1056 CG HIS A 601 33.171 -4.344 -4.248 1.00 0.00 C ATOM 1057 ND1 HIS A 601 32.936 -5.384 -5.152 1.00 0.00 N ATOM 1058 CD2 HIS A 601 32.679 -3.185 -4.778 1.00 0.00 C ATOM 1059 CE1 HIS A 601 32.306 -4.833 -6.202 1.00 0.00 C ATOM 1060 NE2 HIS A 601 32.137 -3.515 -6.004 1.00 0.00 N ATOM 0 H HIS A 601 35.234 -4.684 -0.913 1.00 0.00 H new ATOM 0 HA HIS A 601 35.476 -5.779 -3.516 1.00 0.00 H new ATOM 0 HB2 HIS A 601 33.347 -5.263 -2.334 1.00 0.00 H new ATOM 0 HB3 HIS A 601 33.735 -3.555 -2.351 1.00 0.00 H new ATOM 0 HD2 HIS A 601 32.708 -2.204 -4.327 1.00 0.00 H new ATOM 0 HE1 HIS A 601 31.982 -5.372 -7.080 1.00 0.00 H new ATOM 0 HE2 HIS A 601 31.685 -2.868 -6.650 1.00 0.00 H new ATOM 1068 N GLU A 602 36.479 -2.657 -3.276 1.00 0.00 N ATOM 1069 CA GLU A 602 37.263 -1.612 -3.950 1.00 0.00 C ATOM 1070 C GLU A 602 38.730 -2.033 -4.195 1.00 0.00 C ATOM 1071 O GLU A 602 39.305 -1.706 -5.236 1.00 0.00 O ATOM 1072 CB GLU A 602 37.179 -0.330 -3.098 1.00 0.00 C ATOM 1073 CG GLU A 602 37.921 0.911 -3.632 1.00 0.00 C ATOM 1074 CD GLU A 602 37.203 1.657 -4.783 1.00 0.00 C ATOM 1075 OE1 GLU A 602 37.352 2.902 -4.873 1.00 0.00 O ATOM 1076 OE2 GLU A 602 36.498 1.036 -5.617 1.00 0.00 O ATOM 0 H GLU A 602 36.252 -2.431 -2.308 1.00 0.00 H new ATOM 0 HA GLU A 602 36.843 -1.436 -4.940 1.00 0.00 H new ATOM 0 HB2 GLU A 602 36.127 -0.071 -2.978 1.00 0.00 H new ATOM 0 HB3 GLU A 602 37.567 -0.556 -2.105 1.00 0.00 H new ATOM 0 HG2 GLU A 602 38.074 1.607 -2.807 1.00 0.00 H new ATOM 0 HG3 GLU A 602 38.908 0.605 -3.978 1.00 0.00 H new ATOM 1083 N THR A 603 39.337 -2.752 -3.245 1.00 0.00 N ATOM 1084 CA THR A 603 40.776 -3.081 -3.242 1.00 0.00 C ATOM 1085 C THR A 603 41.118 -4.345 -4.044 1.00 0.00 C ATOM 1086 O THR A 603 42.199 -4.422 -4.633 1.00 0.00 O ATOM 1087 CB THR A 603 41.290 -3.205 -1.792 1.00 0.00 C ATOM 1088 OG1 THR A 603 41.080 -1.984 -1.120 1.00 0.00 O ATOM 1089 CG2 THR A 603 42.785 -3.504 -1.677 1.00 0.00 C ATOM 0 H THR A 603 38.838 -3.131 -2.440 1.00 0.00 H new ATOM 0 HA THR A 603 41.283 -2.257 -3.744 1.00 0.00 H new ATOM 0 HB THR A 603 40.738 -4.041 -1.361 1.00 0.00 H new ATOM 0 HG1 THR A 603 40.163 -1.954 -0.774 1.00 0.00 H new ATOM 0 HG21 THR A 603 43.062 -3.575 -0.625 1.00 0.00 H new ATOM 0 HG22 THR A 603 43.007 -4.448 -2.175 1.00 0.00 H new ATOM 0 HG23 THR A 603 43.354 -2.703 -2.149 1.00 0.00 H new