USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1016 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 624 MET CE :methyl -134:sc= -0.18 (180deg=-0.731) USER MOD Set 1.2: A 644 TYR OH : rot 0:sc= -0.442 USER MOD Set 2.1: A 550 CYS SG : rot 80:sc= -0.109 USER MOD Set 2.2: A 612 THR OG1 : rot 81:sc= 1.25 USER MOD Set 2.3: A 613 HIS : +bothHN:sc= 0.689 K(o=1.8,f=-6.5!) USER MOD Set 3.1: A 536 MET CE :methyl 179:sc= -0.732 (180deg=-0.725) USER MOD Set 3.2: A 547 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.3: A 606 MET CE :methyl 154:sc= -0.173 (180deg=-0.706) USER MOD Single : A 528 THR OG1 : rot 170:sc= 0 USER MOD Single : A 530 SER OG : rot 55:sc= 0.017 USER MOD Single : A 532 ASN : amide:sc= -0.43 X(o=-0.43,f=-0.35) USER MOD Single : A 539 HIS : no HD1:sc= -0.0563 X(o=-0.056,f=-0.03) USER MOD Single : A 543 THR OG1 : rot -74:sc= 1.22 USER MOD Single : A 545 LYS NZ :NH3+ 167:sc= 1.27 (180deg=1.2) USER MOD Single : A 551 MET CE :methyl 171:sc= -0.241 (180deg=-0.431) USER MOD Single : A 557 MET CE :methyl -179:sc= -3.04 (180deg=-3.06) USER MOD Single : A 559 THR OG1 : rot 180:sc= 0 USER MOD Single : A 561 GLN : amide:sc= -1.54 X(o=-1.5,f=-1.4) USER MOD Single : A 563 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 564 TYR OH : rot 30:sc= -0.0304 USER MOD Single : A 565 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 568 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 570 GLN :FLIP amide:sc= -4.89! C(o=-7!,f=-4.9!) USER MOD Single : A 576 TYR OH : rot 180:sc= 0 USER MOD Single : A 583 TYR OH : rot 30:sc= -0.372 USER MOD Single : A 584 THR OG1 : rot 180:sc= 0 USER MOD Single : A 585 SER OG : rot 180:sc= 0 USER MOD Single : A 586 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 591 SER OG : rot -160:sc=-0.00738 USER MOD Single : A 594 THR OG1 : rot 68:sc= 1.36 USER MOD Single : A 595 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 597 ASN :FLIP amide:sc= -2.03 F(o=-2.8!,f=-2) USER MOD Single : A 598 SER OG : rot 180:sc= 0 USER MOD Single : A 600 ASN :FLIP amide:sc= -0.0855 F(o=-0.81,f=-0.086) USER MOD Single : A 605 THR OG1 : rot 119:sc= 1.75 USER MOD Single : A 610 TYR OH : rot 180:sc= 0 USER MOD Single : A 616 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 623 CYS SG : rot 170:sc=-0.00841 USER MOD Single : A 626 SER OG : rot 180:sc= 0 USER MOD Single : A 628 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.108) USER MOD Single : A 634 SER OG : rot -103:sc= 0 USER MOD Single : A 636 SER OG : rot 180:sc= 0 USER MOD Single : A 637 SER OG : rot 180:sc= 0 USER MOD Single : A 642 THR OG1 : rot 180:sc= 0 USER MOD Single : A 643 THR OG1 : rot 59:sc= 1.29 USER MOD Single : A 645 ASN : amide:sc= 0.0976 X(o=0.098,f=-0.096) USER MOD Single : A 647 TYR OH : rot 180:sc=-0.00967 USER MOD Single : A 649 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 214 N GLU A 524 -0.083 16.534 -6.153 1.00 0.00 N ATOM 215 CA GLU A 524 0.187 15.213 -5.615 1.00 0.00 C ATOM 216 C GLU A 524 1.419 15.259 -4.738 1.00 0.00 C ATOM 217 O GLU A 524 2.199 16.208 -4.781 1.00 0.00 O ATOM 218 CB GLU A 524 0.377 14.147 -6.698 1.00 0.00 C ATOM 219 CG GLU A 524 1.579 14.365 -7.636 1.00 0.00 C ATOM 220 CD GLU A 524 1.691 13.239 -8.668 1.00 0.00 C ATOM 221 OE1 GLU A 524 0.903 12.273 -8.587 1.00 0.00 O ATOM 222 OE2 GLU A 524 2.583 13.267 -9.546 1.00 0.00 O ATOM 0 HA GLU A 524 -0.690 14.928 -5.034 1.00 0.00 H new ATOM 0 HB2 GLU A 524 0.487 13.177 -6.214 1.00 0.00 H new ATOM 0 HB3 GLU A 524 -0.529 14.101 -7.302 1.00 0.00 H new ATOM 0 HG2 GLU A 524 1.475 15.321 -8.148 1.00 0.00 H new ATOM 0 HG3 GLU A 524 2.496 14.416 -7.049 1.00 0.00 H new ATOM 229 N ILE A 525 1.563 14.185 -3.969 1.00 0.00 N ATOM 230 CA ILE A 525 2.599 13.949 -2.996 1.00 0.00 C ATOM 231 C ILE A 525 3.307 12.665 -3.419 1.00 0.00 C ATOM 232 O ILE A 525 2.678 11.763 -4.005 1.00 0.00 O ATOM 233 CB ILE A 525 1.997 13.818 -1.589 1.00 0.00 C ATOM 234 CG1 ILE A 525 0.688 14.603 -1.398 1.00 0.00 C ATOM 235 CG2 ILE A 525 3.031 14.232 -0.531 1.00 0.00 C ATOM 236 CD1 ILE A 525 0.788 16.123 -1.466 1.00 0.00 C ATOM 0 H ILE A 525 0.906 13.406 -4.021 1.00 0.00 H new ATOM 0 HA ILE A 525 3.304 14.780 -2.956 1.00 0.00 H new ATOM 0 HB ILE A 525 1.737 12.767 -1.464 1.00 0.00 H new ATOM 0 HG12 ILE A 525 -0.021 14.274 -2.158 1.00 0.00 H new ATOM 0 HG13 ILE A 525 0.266 14.332 -0.430 1.00 0.00 H new ATOM 0 HG21 ILE A 525 2.594 14.135 0.463 1.00 0.00 H new ATOM 0 HG22 ILE A 525 3.907 13.587 -0.606 1.00 0.00 H new ATOM 0 HG23 ILE A 525 3.327 15.268 -0.698 1.00 0.00 H new ATOM 0 HD11 ILE A 525 -0.199 16.560 -1.317 1.00 0.00 H new ATOM 0 HD12 ILE A 525 1.463 16.478 -0.688 1.00 0.00 H new ATOM 0 HD13 ILE A 525 1.172 16.419 -2.442 1.00 0.00 H new ATOM 248 N LEU A 526 4.586 12.587 -3.079 1.00 0.00 N ATOM 249 CA LEU A 526 5.508 11.501 -3.338 1.00 0.00 C ATOM 250 C LEU A 526 6.248 11.193 -2.023 1.00 0.00 C ATOM 251 O LEU A 526 5.833 11.646 -0.952 1.00 0.00 O ATOM 252 CB LEU A 526 6.443 11.904 -4.491 1.00 0.00 C ATOM 253 CG LEU A 526 6.839 10.674 -5.327 1.00 0.00 C ATOM 254 CD1 LEU A 526 5.747 10.371 -6.369 1.00 0.00 C ATOM 255 CD2 LEU A 526 8.200 10.898 -5.987 1.00 0.00 C ATOM 0 H LEU A 526 5.039 13.348 -2.573 1.00 0.00 H new ATOM 0 HA LEU A 526 5.001 10.590 -3.656 1.00 0.00 H new ATOM 0 HB2 LEU A 526 5.948 12.638 -5.127 1.00 0.00 H new ATOM 0 HB3 LEU A 526 7.338 12.381 -4.090 1.00 0.00 H new ATOM 0 HG LEU A 526 6.928 9.807 -4.672 1.00 0.00 H new ATOM 0 HD11 LEU A 526 6.036 9.499 -6.956 1.00 0.00 H new ATOM 0 HD12 LEU A 526 4.804 10.170 -5.860 1.00 0.00 H new ATOM 0 HD13 LEU A 526 5.626 11.229 -7.030 1.00 0.00 H new ATOM 0 HD21 LEU A 526 8.468 10.020 -6.575 1.00 0.00 H new ATOM 0 HD22 LEU A 526 8.149 11.770 -6.639 1.00 0.00 H new ATOM 0 HD23 LEU A 526 8.954 11.063 -5.218 1.00 0.00 H new ATOM 267 N GLY A 527 7.348 10.444 -2.083 1.00 0.00 N ATOM 268 CA GLY A 527 8.262 10.302 -0.963 1.00 0.00 C ATOM 269 C GLY A 527 7.804 9.284 0.076 1.00 0.00 C ATOM 270 O GLY A 527 6.820 8.561 -0.114 1.00 0.00 O ATOM 0 H GLY A 527 7.626 9.920 -2.913 1.00 0.00 H new ATOM 0 HA2 GLY A 527 9.242 10.008 -1.340 1.00 0.00 H new ATOM 0 HA3 GLY A 527 8.384 11.271 -0.480 1.00 0.00 H new ATOM 274 N THR A 528 8.561 9.219 1.173 1.00 0.00 N ATOM 275 CA THR A 528 8.193 8.504 2.379 1.00 0.00 C ATOM 276 C THR A 528 7.572 9.507 3.366 1.00 0.00 C ATOM 277 O THR A 528 8.060 10.634 3.501 1.00 0.00 O ATOM 278 CB THR A 528 9.424 7.781 2.952 1.00 0.00 C ATOM 279 OG1 THR A 528 10.072 7.030 1.938 1.00 0.00 O ATOM 280 CG2 THR A 528 9.034 6.805 4.068 1.00 0.00 C ATOM 0 H THR A 528 9.470 9.677 1.241 1.00 0.00 H new ATOM 0 HA THR A 528 7.451 7.733 2.171 1.00 0.00 H new ATOM 0 HB THR A 528 10.085 8.551 3.349 1.00 0.00 H new ATOM 0 HG1 THR A 528 10.936 6.708 2.271 1.00 0.00 H new ATOM 0 HG21 THR A 528 9.928 6.312 4.449 1.00 0.00 H new ATOM 0 HG22 THR A 528 8.548 7.352 4.876 1.00 0.00 H new ATOM 0 HG23 THR A 528 8.348 6.056 3.673 1.00 0.00 H new ATOM 288 N VAL A 529 6.511 9.103 4.063 1.00 0.00 N ATOM 289 CA VAL A 529 5.807 9.843 5.114 1.00 0.00 C ATOM 290 C VAL A 529 5.461 8.858 6.248 1.00 0.00 C ATOM 291 O VAL A 529 5.949 7.724 6.241 1.00 0.00 O ATOM 292 CB VAL A 529 4.572 10.568 4.525 1.00 0.00 C ATOM 293 CG1 VAL A 529 4.946 11.718 3.574 1.00 0.00 C ATOM 294 CG2 VAL A 529 3.654 9.602 3.772 1.00 0.00 C ATOM 0 H VAL A 529 6.091 8.188 3.899 1.00 0.00 H new ATOM 0 HA VAL A 529 6.436 10.628 5.534 1.00 0.00 H new ATOM 0 HB VAL A 529 4.051 10.984 5.387 1.00 0.00 H new ATOM 0 HG11 VAL A 529 4.038 12.186 3.194 1.00 0.00 H new ATOM 0 HG12 VAL A 529 5.538 12.458 4.113 1.00 0.00 H new ATOM 0 HG13 VAL A 529 5.528 11.326 2.740 1.00 0.00 H new ATOM 0 HG21 VAL A 529 2.799 10.148 3.374 1.00 0.00 H new ATOM 0 HG22 VAL A 529 4.205 9.142 2.952 1.00 0.00 H new ATOM 0 HG23 VAL A 529 3.304 8.827 4.454 1.00 0.00 H new ATOM 304 N SER A 530 4.638 9.259 7.225 1.00 0.00 N ATOM 305 CA SER A 530 4.170 8.363 8.282 1.00 0.00 C ATOM 306 C SER A 530 2.670 8.550 8.473 1.00 0.00 C ATOM 307 O SER A 530 2.197 8.776 9.590 1.00 0.00 O ATOM 308 CB SER A 530 4.996 8.539 9.566 1.00 0.00 C ATOM 309 OG SER A 530 4.932 9.863 10.079 1.00 0.00 O ATOM 0 H SER A 530 4.281 10.211 7.302 1.00 0.00 H new ATOM 0 HA SER A 530 4.325 7.324 7.991 1.00 0.00 H new ATOM 0 HB2 SER A 530 4.637 7.842 10.323 1.00 0.00 H new ATOM 0 HB3 SER A 530 6.036 8.282 9.363 1.00 0.00 H new ATOM 0 HG SER A 530 3.995 10.120 10.206 1.00 0.00 H new ATOM 315 N TRP A 531 1.936 8.521 7.363 1.00 0.00 N ATOM 316 CA TRP A 531 0.488 8.437 7.335 1.00 0.00 C ATOM 317 C TRP A 531 0.073 7.081 7.892 1.00 0.00 C ATOM 318 O TRP A 531 0.915 6.256 8.252 1.00 0.00 O ATOM 319 CB TRP A 531 0.023 8.583 5.884 1.00 0.00 C ATOM 320 CG TRP A 531 0.254 9.893 5.213 1.00 0.00 C ATOM 321 CD1 TRP A 531 0.742 11.017 5.779 1.00 0.00 C ATOM 322 CD2 TRP A 531 0.046 10.203 3.812 1.00 0.00 C ATOM 323 NE1 TRP A 531 0.891 11.993 4.810 1.00 0.00 N ATOM 324 CE2 TRP A 531 0.543 11.515 3.563 1.00 0.00 C ATOM 325 CE3 TRP A 531 -0.419 9.456 2.711 1.00 0.00 C ATOM 326 CZ2 TRP A 531 0.662 12.028 2.264 1.00 0.00 C ATOM 327 CZ3 TRP A 531 -0.295 9.958 1.407 1.00 0.00 C ATOM 328 CH2 TRP A 531 0.275 11.227 1.176 1.00 0.00 C ATOM 0 H TRP A 531 2.351 8.557 6.432 1.00 0.00 H new ATOM 0 HA TRP A 531 0.037 9.225 7.937 1.00 0.00 H new ATOM 0 HB2 TRP A 531 0.518 7.812 5.294 1.00 0.00 H new ATOM 0 HB3 TRP A 531 -1.046 8.373 5.851 1.00 0.00 H new ATOM 0 HD1 TRP A 531 0.979 11.136 6.826 1.00 0.00 H new ATOM 0 HE1 TRP A 531 1.216 12.942 4.993 1.00 0.00 H new ATOM 0 HE3 TRP A 531 -0.874 8.490 2.872 1.00 0.00 H new ATOM 0 HZ2 TRP A 531 1.046 13.024 2.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 531 -0.640 9.367 0.572 1.00 0.00 H new ATOM 0 HH2 TRP A 531 0.414 11.582 0.166 1.00 0.00 H new ATOM 339 N ASN A 532 -1.226 6.811 7.964 1.00 0.00 N ATOM 340 CA ASN A 532 -1.761 5.537 8.442 1.00 0.00 C ATOM 341 C ASN A 532 -2.981 5.207 7.595 1.00 0.00 C ATOM 342 O ASN A 532 -3.376 6.038 6.771 1.00 0.00 O ATOM 343 CB ASN A 532 -2.062 5.621 9.942 1.00 0.00 C ATOM 344 CG ASN A 532 -0.811 5.968 10.730 1.00 0.00 C ATOM 345 OD1 ASN A 532 -0.006 5.095 11.044 1.00 0.00 O ATOM 346 ND2 ASN A 532 -0.599 7.252 10.975 1.00 0.00 N ATOM 0 H ASN A 532 -1.947 7.478 7.689 1.00 0.00 H new ATOM 0 HA ASN A 532 -1.039 4.728 8.333 1.00 0.00 H new ATOM 0 HB2 ASN A 532 -2.829 6.374 10.121 1.00 0.00 H new ATOM 0 HB3 ASN A 532 -2.463 4.669 10.290 1.00 0.00 H new ATOM 0 HD21 ASN A 532 0.259 7.547 11.441 1.00 0.00 H new ATOM 0 HD22 ASN A 532 -1.294 7.946 10.698 1.00 0.00 H new ATOM 353 N LEU A 533 -3.573 4.018 7.759 1.00 0.00 N ATOM 354 CA LEU A 533 -4.410 3.409 6.722 1.00 0.00 C ATOM 355 C LEU A 533 -5.505 4.359 6.242 1.00 0.00 C ATOM 356 O LEU A 533 -5.772 4.416 5.049 1.00 0.00 O ATOM 357 CB LEU A 533 -5.073 2.094 7.200 1.00 0.00 C ATOM 358 CG LEU A 533 -4.306 0.780 6.955 1.00 0.00 C ATOM 359 CD1 LEU A 533 -4.004 0.548 5.469 1.00 0.00 C ATOM 360 CD2 LEU A 533 -3.029 0.704 7.794 1.00 0.00 C ATOM 0 H LEU A 533 -3.486 3.457 8.606 1.00 0.00 H new ATOM 0 HA LEU A 533 -3.735 3.187 5.896 1.00 0.00 H new ATOM 0 HB2 LEU A 533 -5.258 2.181 8.271 1.00 0.00 H new ATOM 0 HB3 LEU A 533 -6.045 2.012 6.714 1.00 0.00 H new ATOM 0 HG LEU A 533 -4.966 -0.025 7.278 1.00 0.00 H new ATOM 0 HD11 LEU A 533 -3.463 -0.391 5.350 1.00 0.00 H new ATOM 0 HD12 LEU A 533 -4.939 0.501 4.911 1.00 0.00 H new ATOM 0 HD13 LEU A 533 -3.395 1.369 5.089 1.00 0.00 H new ATOM 0 HD21 LEU A 533 -2.517 -0.237 7.593 1.00 0.00 H new ATOM 0 HD22 LEU A 533 -2.374 1.536 7.536 1.00 0.00 H new ATOM 0 HD23 LEU A 533 -3.285 0.759 8.852 1.00 0.00 H new ATOM 372 N ARG A 534 -6.157 5.099 7.139 1.00 0.00 N ATOM 373 CA ARG A 534 -7.276 5.943 6.715 1.00 0.00 C ATOM 374 C ARG A 534 -6.838 7.255 6.040 1.00 0.00 C ATOM 375 O ARG A 534 -7.606 7.773 5.229 1.00 0.00 O ATOM 376 CB ARG A 534 -8.269 6.187 7.851 1.00 0.00 C ATOM 377 CG ARG A 534 -8.835 4.920 8.513 1.00 0.00 C ATOM 378 CD ARG A 534 -8.077 4.538 9.796 1.00 0.00 C ATOM 379 NE ARG A 534 -8.898 4.714 11.007 1.00 0.00 N ATOM 380 CZ ARG A 534 -9.041 5.818 11.751 1.00 0.00 C ATOM 381 NH1 ARG A 534 -8.444 6.964 11.419 1.00 0.00 N ATOM 382 NH2 ARG A 534 -9.761 5.765 12.864 1.00 0.00 N ATOM 0 H ARG A 534 -5.940 5.133 8.135 1.00 0.00 H new ATOM 0 HA ARG A 534 -7.795 5.376 5.942 1.00 0.00 H new ATOM 0 HB2 ARG A 534 -7.779 6.789 8.616 1.00 0.00 H new ATOM 0 HB3 ARG A 534 -9.100 6.777 7.465 1.00 0.00 H new ATOM 0 HG2 ARG A 534 -9.887 5.076 8.749 1.00 0.00 H new ATOM 0 HG3 ARG A 534 -8.787 4.092 7.806 1.00 0.00 H new ATOM 0 HD2 ARG A 534 -7.753 3.500 9.728 1.00 0.00 H new ATOM 0 HD3 ARG A 534 -7.177 5.148 9.878 1.00 0.00 H new ATOM 0 HE ARG A 534 -9.421 3.895 11.316 1.00 0.00 H new ATOM 0 HH11 ARG A 534 -7.863 7.013 10.582 1.00 0.00 H new ATOM 0 HH12 ARG A 534 -8.568 7.792 12.002 1.00 0.00 H new ATOM 0 HH21 ARG A 534 -10.200 4.889 13.146 1.00 0.00 H new ATOM 0 HH22 ARG A 534 -9.876 6.601 13.437 1.00 0.00 H new ATOM 396 N GLU A 535 -5.628 7.776 6.289 1.00 0.00 N ATOM 397 CA GLU A 535 -5.077 8.855 5.461 1.00 0.00 C ATOM 398 C GLU A 535 -4.769 8.299 4.063 1.00 0.00 C ATOM 399 O GLU A 535 -5.029 8.921 3.030 1.00 0.00 O ATOM 400 CB GLU A 535 -3.760 9.397 6.028 1.00 0.00 C ATOM 401 CG GLU A 535 -3.812 10.036 7.415 1.00 0.00 C ATOM 402 CD GLU A 535 -2.856 11.222 7.533 1.00 0.00 C ATOM 403 OE1 GLU A 535 -3.276 12.376 7.271 1.00 0.00 O ATOM 404 OE2 GLU A 535 -1.705 11.028 7.982 1.00 0.00 O ATOM 0 H GLU A 535 -5.019 7.471 7.048 1.00 0.00 H new ATOM 0 HA GLU A 535 -5.815 9.657 5.435 1.00 0.00 H new ATOM 0 HB2 GLU A 535 -3.042 8.577 6.059 1.00 0.00 H new ATOM 0 HB3 GLU A 535 -3.369 10.136 5.329 1.00 0.00 H new ATOM 0 HG2 GLU A 535 -4.829 10.368 7.624 1.00 0.00 H new ATOM 0 HG3 GLU A 535 -3.559 9.290 8.168 1.00 0.00 H new ATOM 411 N MET A 536 -4.155 7.119 4.058 1.00 0.00 N ATOM 412 CA MET A 536 -3.628 6.408 2.911 1.00 0.00 C ATOM 413 C MET A 536 -4.757 6.046 1.947 1.00 0.00 C ATOM 414 O MET A 536 -4.646 6.355 0.762 1.00 0.00 O ATOM 415 CB MET A 536 -2.892 5.175 3.444 1.00 0.00 C ATOM 416 CG MET A 536 -1.640 5.576 4.226 1.00 0.00 C ATOM 417 SD MET A 536 -0.211 5.864 3.187 1.00 0.00 S ATOM 418 CE MET A 536 0.131 4.172 2.683 1.00 0.00 C ATOM 0 H MET A 536 -4.005 6.601 4.924 1.00 0.00 H new ATOM 0 HA MET A 536 -2.932 7.024 2.342 1.00 0.00 H new ATOM 0 HB2 MET A 536 -3.558 4.600 4.088 1.00 0.00 H new ATOM 0 HB3 MET A 536 -2.613 4.527 2.613 1.00 0.00 H new ATOM 0 HG2 MET A 536 -1.852 6.480 4.797 1.00 0.00 H new ATOM 0 HG3 MET A 536 -1.404 4.792 4.946 1.00 0.00 H new ATOM 0 HE1 MET A 536 0.988 4.159 2.010 1.00 0.00 H new ATOM 0 HE2 MET A 536 0.351 3.568 3.563 1.00 0.00 H new ATOM 0 HE3 MET A 536 -0.739 3.762 2.170 1.00 0.00 H new ATOM 428 N LEU A 537 -5.849 5.439 2.422 1.00 0.00 N ATOM 429 CA LEU A 537 -7.117 5.276 1.748 1.00 0.00 C ATOM 430 C LEU A 537 -7.574 6.549 1.053 1.00 0.00 C ATOM 431 O LEU A 537 -7.892 6.507 -0.136 1.00 0.00 O ATOM 432 CB LEU A 537 -8.139 4.893 2.822 1.00 0.00 C ATOM 433 CG LEU A 537 -8.398 3.393 2.888 1.00 0.00 C ATOM 434 CD1 LEU A 537 -7.266 2.393 3.118 1.00 0.00 C ATOM 435 CD2 LEU A 537 -9.469 3.164 3.952 1.00 0.00 C ATOM 0 H LEU A 537 -5.859 5.024 3.354 1.00 0.00 H new ATOM 0 HA LEU A 537 -7.018 4.514 0.974 1.00 0.00 H new ATOM 0 HB2 LEU A 537 -7.784 5.238 3.793 1.00 0.00 H new ATOM 0 HB3 LEU A 537 -9.078 5.410 2.623 1.00 0.00 H new ATOM 0 HG LEU A 537 -8.667 3.162 1.857 1.00 0.00 H new ATOM 0 HD11 LEU A 537 -7.671 1.381 3.130 1.00 0.00 H new ATOM 0 HD12 LEU A 537 -6.534 2.481 2.315 1.00 0.00 H new ATOM 0 HD13 LEU A 537 -6.784 2.602 4.073 1.00 0.00 H new ATOM 0 HD21 LEU A 537 -9.683 2.098 4.029 1.00 0.00 H new ATOM 0 HD22 LEU A 537 -9.112 3.533 4.913 1.00 0.00 H new ATOM 0 HD23 LEU A 537 -10.378 3.697 3.674 1.00 0.00 H new ATOM 447 N ALA A 538 -7.642 7.666 1.786 1.00 0.00 N ATOM 448 CA ALA A 538 -8.073 8.931 1.213 1.00 0.00 C ATOM 449 C ALA A 538 -7.157 9.290 0.043 1.00 0.00 C ATOM 450 O ALA A 538 -7.645 9.523 -1.055 1.00 0.00 O ATOM 451 CB ALA A 538 -8.140 10.028 2.283 1.00 0.00 C ATOM 0 H ALA A 538 -7.403 7.712 2.776 1.00 0.00 H new ATOM 0 HA ALA A 538 -9.087 8.836 0.825 1.00 0.00 H new ATOM 0 HB1 ALA A 538 -8.465 10.963 1.826 1.00 0.00 H new ATOM 0 HB2 ALA A 538 -8.849 9.737 3.058 1.00 0.00 H new ATOM 0 HB3 ALA A 538 -7.154 10.165 2.726 1.00 0.00 H new ATOM 457 N HIS A 539 -5.833 9.259 0.233 1.00 0.00 N ATOM 458 CA HIS A 539 -4.878 9.581 -0.827 1.00 0.00 C ATOM 459 C HIS A 539 -5.017 8.644 -2.032 1.00 0.00 C ATOM 460 O HIS A 539 -4.984 9.108 -3.173 1.00 0.00 O ATOM 461 CB HIS A 539 -3.448 9.548 -0.279 1.00 0.00 C ATOM 462 CG HIS A 539 -2.430 10.064 -1.265 1.00 0.00 C ATOM 463 ND1 HIS A 539 -2.164 11.398 -1.510 1.00 0.00 N ATOM 464 CD2 HIS A 539 -1.549 9.307 -1.990 1.00 0.00 C ATOM 465 CE1 HIS A 539 -1.119 11.447 -2.354 1.00 0.00 C ATOM 466 NE2 HIS A 539 -0.713 10.194 -2.646 1.00 0.00 N ATOM 0 H HIS A 539 -5.398 9.011 1.122 1.00 0.00 H new ATOM 0 HA HIS A 539 -5.102 10.589 -1.177 1.00 0.00 H new ATOM 0 HB2 HIS A 539 -3.399 10.145 0.632 1.00 0.00 H new ATOM 0 HB3 HIS A 539 -3.193 8.525 -0.003 1.00 0.00 H new ATOM 0 HD2 HIS A 539 -1.513 8.229 -2.040 1.00 0.00 H new ATOM 0 HE1 HIS A 539 -0.672 12.352 -2.740 1.00 0.00 H new ATOM 0 HE2 HIS A 539 0.073 9.944 -3.246 1.00 0.00 H new ATOM 475 N ALA A 540 -5.124 7.334 -1.800 1.00 0.00 N ATOM 476 CA ALA A 540 -5.268 6.331 -2.846 1.00 0.00 C ATOM 477 C ALA A 540 -6.515 6.586 -3.679 1.00 0.00 C ATOM 478 O ALA A 540 -6.461 6.416 -4.888 1.00 0.00 O ATOM 479 CB ALA A 540 -5.344 4.928 -2.245 1.00 0.00 C ATOM 0 H ALA A 540 -5.112 6.938 -0.860 1.00 0.00 H new ATOM 0 HA ALA A 540 -4.390 6.401 -3.488 1.00 0.00 H new ATOM 0 HB1 ALA A 540 -5.451 4.195 -3.045 1.00 0.00 H new ATOM 0 HB2 ALA A 540 -4.432 4.722 -1.684 1.00 0.00 H new ATOM 0 HB3 ALA A 540 -6.203 4.864 -1.577 1.00 0.00 H new ATOM 485 N GLU A 541 -7.634 6.980 -3.076 1.00 0.00 N ATOM 486 CA GLU A 541 -8.838 7.340 -3.812 1.00 0.00 C ATOM 487 C GLU A 541 -8.658 8.679 -4.520 1.00 0.00 C ATOM 488 O GLU A 541 -8.898 8.768 -5.721 1.00 0.00 O ATOM 489 CB GLU A 541 -10.023 7.376 -2.848 1.00 0.00 C ATOM 490 CG GLU A 541 -10.876 6.114 -3.000 1.00 0.00 C ATOM 491 CD GLU A 541 -12.066 6.390 -3.901 1.00 0.00 C ATOM 492 OE1 GLU A 541 -13.094 6.863 -3.353 1.00 0.00 O ATOM 493 OE2 GLU A 541 -11.953 6.163 -5.124 1.00 0.00 O ATOM 0 H GLU A 541 -7.729 7.058 -2.063 1.00 0.00 H new ATOM 0 HA GLU A 541 -9.032 6.592 -4.581 1.00 0.00 H new ATOM 0 HB2 GLU A 541 -9.663 7.457 -1.822 1.00 0.00 H new ATOM 0 HB3 GLU A 541 -10.631 8.259 -3.043 1.00 0.00 H new ATOM 0 HG2 GLU A 541 -10.274 5.307 -3.418 1.00 0.00 H new ATOM 0 HG3 GLU A 541 -11.221 5.780 -2.022 1.00 0.00 H new ATOM 500 N GLU A 542 -8.189 9.702 -3.804 1.00 0.00 N ATOM 501 CA GLU A 542 -7.957 11.070 -4.272 1.00 0.00 C ATOM 502 C GLU A 542 -7.183 11.052 -5.593 1.00 0.00 C ATOM 503 O GLU A 542 -7.558 11.735 -6.549 1.00 0.00 O ATOM 504 CB GLU A 542 -7.197 11.825 -3.161 1.00 0.00 C ATOM 505 CG GLU A 542 -6.824 13.285 -3.449 1.00 0.00 C ATOM 506 CD GLU A 542 -5.752 13.785 -2.465 1.00 0.00 C ATOM 507 OE1 GLU A 542 -6.068 14.005 -1.268 1.00 0.00 O ATOM 508 OE2 GLU A 542 -4.594 13.961 -2.907 1.00 0.00 O ATOM 0 H GLU A 542 -7.946 9.591 -2.820 1.00 0.00 H new ATOM 0 HA GLU A 542 -8.898 11.582 -4.470 1.00 0.00 H new ATOM 0 HB2 GLU A 542 -7.805 11.802 -2.257 1.00 0.00 H new ATOM 0 HB3 GLU A 542 -6.281 11.277 -2.943 1.00 0.00 H new ATOM 0 HG2 GLU A 542 -6.455 13.375 -4.471 1.00 0.00 H new ATOM 0 HG3 GLU A 542 -7.712 13.912 -3.374 1.00 0.00 H new ATOM 515 N THR A 543 -6.143 10.218 -5.664 1.00 0.00 N ATOM 516 CA THR A 543 -5.234 10.119 -6.800 1.00 0.00 C ATOM 517 C THR A 543 -5.465 8.848 -7.650 1.00 0.00 C ATOM 518 O THR A 543 -4.718 8.608 -8.602 1.00 0.00 O ATOM 519 CB THR A 543 -3.786 10.302 -6.303 1.00 0.00 C ATOM 520 OG1 THR A 543 -3.412 9.363 -5.308 1.00 0.00 O ATOM 521 CG2 THR A 543 -3.552 11.697 -5.710 1.00 0.00 C ATOM 0 H THR A 543 -5.906 9.575 -4.908 1.00 0.00 H new ATOM 0 HA THR A 543 -5.446 10.926 -7.501 1.00 0.00 H new ATOM 0 HB THR A 543 -3.177 10.152 -7.195 1.00 0.00 H new ATOM 0 HG1 THR A 543 -3.849 9.592 -4.461 1.00 0.00 H new ATOM 0 HG21 THR A 543 -2.519 11.780 -5.373 1.00 0.00 H new ATOM 0 HG22 THR A 543 -3.748 12.453 -6.470 1.00 0.00 H new ATOM 0 HG23 THR A 543 -4.223 11.850 -4.865 1.00 0.00 H new ATOM 529 N ARG A 544 -6.480 8.030 -7.322 1.00 0.00 N ATOM 530 CA ARG A 544 -6.715 6.660 -7.819 1.00 0.00 C ATOM 531 C ARG A 544 -5.429 5.814 -7.938 1.00 0.00 C ATOM 532 O ARG A 544 -5.343 4.924 -8.787 1.00 0.00 O ATOM 533 CB ARG A 544 -7.647 6.642 -9.049 1.00 0.00 C ATOM 534 CG ARG A 544 -9.142 6.654 -8.661 1.00 0.00 C ATOM 535 CD ARG A 544 -9.776 8.043 -8.641 1.00 0.00 C ATOM 536 NE ARG A 544 -10.224 8.453 -9.982 1.00 0.00 N ATOM 537 CZ ARG A 544 -10.472 9.708 -10.372 1.00 0.00 C ATOM 538 NH1 ARG A 544 -10.497 10.699 -9.490 1.00 0.00 N ATOM 539 NH2 ARG A 544 -10.698 9.967 -11.652 1.00 0.00 N ATOM 0 H ARG A 544 -7.202 8.323 -6.664 1.00 0.00 H new ATOM 0 HA ARG A 544 -7.273 6.131 -7.047 1.00 0.00 H new ATOM 0 HB2 ARG A 544 -7.431 7.507 -9.676 1.00 0.00 H new ATOM 0 HB3 ARG A 544 -7.437 5.755 -9.646 1.00 0.00 H new ATOM 0 HG2 ARG A 544 -9.692 6.027 -9.362 1.00 0.00 H new ATOM 0 HG3 ARG A 544 -9.253 6.203 -7.675 1.00 0.00 H new ATOM 0 HD2 ARG A 544 -10.624 8.047 -7.956 1.00 0.00 H new ATOM 0 HD3 ARG A 544 -9.056 8.767 -8.260 1.00 0.00 H new ATOM 0 HE ARG A 544 -10.357 7.716 -10.674 1.00 0.00 H new ATOM 0 HH11 ARG A 544 -10.326 10.508 -8.503 1.00 0.00 H new ATOM 0 HH12 ARG A 544 -10.687 11.652 -9.799 1.00 0.00 H new ATOM 0 HH21 ARG A 544 -10.682 9.210 -12.336 1.00 0.00 H new ATOM 0 HH22 ARG A 544 -10.888 10.923 -11.953 1.00 0.00 H new ATOM 553 N LYS A 545 -4.435 6.077 -7.080 1.00 0.00 N ATOM 554 CA LYS A 545 -3.173 5.344 -7.025 1.00 0.00 C ATOM 555 C LYS A 545 -3.406 3.978 -6.398 1.00 0.00 C ATOM 556 O LYS A 545 -4.223 3.842 -5.488 1.00 0.00 O ATOM 557 CB LYS A 545 -2.116 6.135 -6.237 1.00 0.00 C ATOM 558 CG LYS A 545 -1.624 7.321 -7.071 1.00 0.00 C ATOM 559 CD LYS A 545 -0.486 8.114 -6.420 1.00 0.00 C ATOM 560 CE LYS A 545 -0.259 9.357 -7.290 1.00 0.00 C ATOM 561 NZ LYS A 545 1.001 10.071 -7.003 1.00 0.00 N ATOM 0 H LYS A 545 -4.492 6.825 -6.389 1.00 0.00 H new ATOM 0 HA LYS A 545 -2.796 5.209 -8.039 1.00 0.00 H new ATOM 0 HB2 LYS A 545 -2.540 6.491 -5.298 1.00 0.00 H new ATOM 0 HB3 LYS A 545 -1.278 5.486 -5.982 1.00 0.00 H new ATOM 0 HG2 LYS A 545 -1.289 6.955 -8.041 1.00 0.00 H new ATOM 0 HG3 LYS A 545 -2.462 7.994 -7.256 1.00 0.00 H new ATOM 0 HD2 LYS A 545 -0.746 8.398 -5.400 1.00 0.00 H new ATOM 0 HD3 LYS A 545 0.421 7.512 -6.362 1.00 0.00 H new ATOM 0 HE2 LYS A 545 -0.265 9.060 -8.339 1.00 0.00 H new ATOM 0 HE3 LYS A 545 -1.094 10.044 -7.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 545 1.192 10.756 -7.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 545 0.917 10.573 -6.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 545 1.783 9.387 -6.949 1.00 0.00 H new ATOM 575 N LEU A 546 -2.662 2.982 -6.874 1.00 0.00 N ATOM 576 CA LEU A 546 -2.805 1.597 -6.457 1.00 0.00 C ATOM 577 C LEU A 546 -2.244 1.413 -5.047 1.00 0.00 C ATOM 578 O LEU A 546 -1.176 1.936 -4.721 1.00 0.00 O ATOM 579 CB LEU A 546 -2.052 0.706 -7.455 1.00 0.00 C ATOM 580 CG LEU A 546 -2.234 -0.809 -7.240 1.00 0.00 C ATOM 581 CD1 LEU A 546 -3.651 -1.255 -7.608 1.00 0.00 C ATOM 582 CD2 LEU A 546 -1.229 -1.558 -8.116 1.00 0.00 C ATOM 0 H LEU A 546 -1.932 3.122 -7.572 1.00 0.00 H new ATOM 0 HA LEU A 546 -3.859 1.319 -6.441 1.00 0.00 H new ATOM 0 HB2 LEU A 546 -2.381 0.957 -8.463 1.00 0.00 H new ATOM 0 HB3 LEU A 546 -0.989 0.941 -7.399 1.00 0.00 H new ATOM 0 HG LEU A 546 -2.067 -1.032 -6.186 1.00 0.00 H new ATOM 0 HD11 LEU A 546 -3.748 -2.328 -7.446 1.00 0.00 H new ATOM 0 HD12 LEU A 546 -4.372 -0.727 -6.984 1.00 0.00 H new ATOM 0 HD13 LEU A 546 -3.843 -1.028 -8.657 1.00 0.00 H new ATOM 0 HD21 LEU A 546 -1.349 -2.632 -7.971 1.00 0.00 H new ATOM 0 HD22 LEU A 546 -1.404 -1.311 -9.163 1.00 0.00 H new ATOM 0 HD23 LEU A 546 -0.216 -1.266 -7.839 1.00 0.00 H new ATOM 594 N MET A 547 -2.906 0.586 -4.244 1.00 0.00 N ATOM 595 CA MET A 547 -2.545 0.277 -2.872 1.00 0.00 C ATOM 596 C MET A 547 -2.169 -1.207 -2.756 1.00 0.00 C ATOM 597 O MET A 547 -3.034 -2.047 -2.508 1.00 0.00 O ATOM 598 CB MET A 547 -3.706 0.695 -1.961 1.00 0.00 C ATOM 599 CG MET A 547 -3.288 0.789 -0.493 1.00 0.00 C ATOM 600 SD MET A 547 -4.463 1.721 0.527 1.00 0.00 S ATOM 601 CE MET A 547 -3.559 1.775 2.094 1.00 0.00 C ATOM 0 H MET A 547 -3.745 0.093 -4.549 1.00 0.00 H new ATOM 0 HA MET A 547 -1.664 0.834 -2.553 1.00 0.00 H new ATOM 0 HB2 MET A 547 -4.093 1.660 -2.289 1.00 0.00 H new ATOM 0 HB3 MET A 547 -4.519 -0.024 -2.059 1.00 0.00 H new ATOM 0 HG2 MET A 547 -3.183 -0.217 -0.087 1.00 0.00 H new ATOM 0 HG3 MET A 547 -2.308 1.262 -0.431 1.00 0.00 H new ATOM 0 HE1 MET A 547 -4.147 2.317 2.835 1.00 0.00 H new ATOM 0 HE2 MET A 547 -3.380 0.759 2.446 1.00 0.00 H new ATOM 0 HE3 MET A 547 -2.605 2.282 1.947 1.00 0.00 H new ATOM 611 N PRO A 548 -0.903 -1.590 -2.982 1.00 0.00 N ATOM 612 CA PRO A 548 -0.484 -2.979 -2.846 1.00 0.00 C ATOM 613 C PRO A 548 -0.390 -3.378 -1.363 1.00 0.00 C ATOM 614 O PRO A 548 0.214 -2.636 -0.582 1.00 0.00 O ATOM 615 CB PRO A 548 0.848 -3.058 -3.592 1.00 0.00 C ATOM 616 CG PRO A 548 1.420 -1.656 -3.446 1.00 0.00 C ATOM 617 CD PRO A 548 0.194 -0.754 -3.443 1.00 0.00 C ATOM 0 HA PRO A 548 -1.196 -3.688 -3.268 1.00 0.00 H new ATOM 0 HB2 PRO A 548 1.508 -3.808 -3.157 1.00 0.00 H new ATOM 0 HB3 PRO A 548 0.707 -3.327 -4.639 1.00 0.00 H new ATOM 0 HG2 PRO A 548 1.993 -1.553 -2.524 1.00 0.00 H new ATOM 0 HG3 PRO A 548 2.092 -1.412 -4.268 1.00 0.00 H new ATOM 0 HD2 PRO A 548 0.338 0.102 -2.784 1.00 0.00 H new ATOM 0 HD3 PRO A 548 -0.005 -0.359 -4.439 1.00 0.00 H new ATOM 625 N ILE A 549 -0.956 -4.531 -0.977 1.00 0.00 N ATOM 626 CA ILE A 549 -1.075 -5.004 0.413 1.00 0.00 C ATOM 627 C ILE A 549 -0.706 -6.495 0.446 1.00 0.00 C ATOM 628 O ILE A 549 -1.008 -7.186 -0.523 1.00 0.00 O ATOM 629 CB ILE A 549 -2.539 -4.816 0.884 1.00 0.00 C ATOM 630 CG1 ILE A 549 -3.062 -3.365 0.832 1.00 0.00 C ATOM 631 CG2 ILE A 549 -2.826 -5.422 2.269 1.00 0.00 C ATOM 632 CD1 ILE A 549 -2.417 -2.375 1.804 1.00 0.00 C ATOM 0 H ILE A 549 -1.359 -5.185 -1.648 1.00 0.00 H new ATOM 0 HA ILE A 549 -0.411 -4.442 1.070 1.00 0.00 H new ATOM 0 HB ILE A 549 -3.096 -5.381 0.137 1.00 0.00 H new ATOM 0 HG12 ILE A 549 -2.924 -2.988 -0.181 1.00 0.00 H new ATOM 0 HG13 ILE A 549 -4.135 -3.381 1.023 1.00 0.00 H new ATOM 0 HG21 ILE A 549 -3.870 -5.251 2.532 1.00 0.00 H new ATOM 0 HG22 ILE A 549 -2.628 -6.494 2.245 1.00 0.00 H new ATOM 0 HG23 ILE A 549 -2.183 -4.951 3.013 1.00 0.00 H new ATOM 0 HD11 ILE A 549 -2.867 -1.391 1.673 1.00 0.00 H new ATOM 0 HD12 ILE A 549 -2.577 -2.714 2.828 1.00 0.00 H new ATOM 0 HD13 ILE A 549 -1.347 -2.314 1.605 1.00 0.00 H new ATOM 644 N CYS A 550 -0.138 -7.019 1.545 1.00 0.00 N ATOM 645 CA CYS A 550 0.146 -8.451 1.701 1.00 0.00 C ATOM 646 C CYS A 550 -0.870 -9.105 2.637 1.00 0.00 C ATOM 647 O CYS A 550 -1.053 -8.652 3.769 1.00 0.00 O ATOM 648 CB CYS A 550 1.553 -8.689 2.258 1.00 0.00 C ATOM 649 SG CYS A 550 2.035 -10.403 1.883 1.00 0.00 S ATOM 0 H CYS A 550 0.137 -6.458 2.351 1.00 0.00 H new ATOM 0 HA CYS A 550 0.077 -8.898 0.709 1.00 0.00 H new ATOM 0 HB2 CYS A 550 2.261 -7.990 1.813 1.00 0.00 H new ATOM 0 HB3 CYS A 550 1.569 -8.517 3.334 1.00 0.00 H new ATOM 0 HG CYS A 550 2.435 -10.481 0.649 1.00 0.00 H new ATOM 655 N MET A 551 -1.472 -10.205 2.187 1.00 0.00 N ATOM 656 CA MET A 551 -2.598 -10.868 2.830 1.00 0.00 C ATOM 657 C MET A 551 -2.218 -11.687 4.057 1.00 0.00 C ATOM 658 O MET A 551 -3.112 -12.255 4.688 1.00 0.00 O ATOM 659 CB MET A 551 -3.347 -11.746 1.815 1.00 0.00 C ATOM 660 CG MET A 551 -2.453 -12.833 1.202 1.00 0.00 C ATOM 661 SD MET A 551 -3.291 -13.968 0.065 1.00 0.00 S ATOM 662 CE MET A 551 -4.003 -12.799 -1.123 1.00 0.00 C ATOM 0 H MET A 551 -1.175 -10.674 1.331 1.00 0.00 H new ATOM 0 HA MET A 551 -3.250 -10.072 3.191 1.00 0.00 H new ATOM 0 HB2 MET A 551 -4.199 -12.216 2.306 1.00 0.00 H new ATOM 0 HB3 MET A 551 -3.745 -11.116 1.019 1.00 0.00 H new ATOM 0 HG2 MET A 551 -1.634 -12.350 0.670 1.00 0.00 H new ATOM 0 HG3 MET A 551 -2.009 -13.415 2.010 1.00 0.00 H new ATOM 0 HE1 MET A 551 -4.414 -13.347 -1.971 1.00 0.00 H new ATOM 0 HE2 MET A 551 -4.797 -12.228 -0.641 1.00 0.00 H new ATOM 0 HE3 MET A 551 -3.227 -12.118 -1.473 1.00 0.00 H new ATOM 672 N ASP A 552 -0.934 -11.785 4.402 1.00 0.00 N ATOM 673 CA ASP A 552 -0.496 -12.402 5.654 1.00 0.00 C ATOM 674 C ASP A 552 -0.888 -11.512 6.843 1.00 0.00 C ATOM 675 O ASP A 552 -1.410 -12.005 7.849 1.00 0.00 O ATOM 676 CB ASP A 552 1.018 -12.700 5.605 1.00 0.00 C ATOM 677 CG ASP A 552 1.810 -12.113 6.776 1.00 0.00 C ATOM 678 OD1 ASP A 552 1.669 -12.621 7.912 1.00 0.00 O ATOM 679 OD2 ASP A 552 2.537 -11.128 6.532 1.00 0.00 O ATOM 0 H ASP A 552 -0.169 -11.439 3.822 1.00 0.00 H new ATOM 0 HA ASP A 552 -1.000 -13.359 5.788 1.00 0.00 H new ATOM 0 HB2 ASP A 552 1.164 -13.780 5.587 1.00 0.00 H new ATOM 0 HB3 ASP A 552 1.424 -12.308 4.673 1.00 0.00 H new ATOM 684 N VAL A 553 -0.700 -10.196 6.704 1.00 0.00 N ATOM 685 CA VAL A 553 -0.745 -9.239 7.799 1.00 0.00 C ATOM 686 C VAL A 553 -2.201 -8.950 8.174 1.00 0.00 C ATOM 687 O VAL A 553 -2.827 -8.041 7.620 1.00 0.00 O ATOM 688 CB VAL A 553 0.030 -7.953 7.424 1.00 0.00 C ATOM 689 CG1 VAL A 553 0.301 -7.116 8.679 1.00 0.00 C ATOM 690 CG2 VAL A 553 1.390 -8.219 6.774 1.00 0.00 C ATOM 0 H VAL A 553 -0.508 -9.762 5.801 1.00 0.00 H new ATOM 0 HA VAL A 553 -0.255 -9.662 8.676 1.00 0.00 H new ATOM 0 HB VAL A 553 -0.607 -7.436 6.706 1.00 0.00 H new ATOM 0 HG11 VAL A 553 0.847 -6.214 8.404 1.00 0.00 H new ATOM 0 HG12 VAL A 553 -0.646 -6.840 9.144 1.00 0.00 H new ATOM 0 HG13 VAL A 553 0.895 -7.698 9.384 1.00 0.00 H new ATOM 0 HG21 VAL A 553 1.873 -7.270 6.540 1.00 0.00 H new ATOM 0 HG22 VAL A 553 2.017 -8.786 7.462 1.00 0.00 H new ATOM 0 HG23 VAL A 553 1.249 -8.791 5.857 1.00 0.00 H new ATOM 700 N ARG A 554 -2.751 -9.701 9.133 1.00 0.00 N ATOM 701 CA ARG A 554 -4.123 -9.497 9.594 1.00 0.00 C ATOM 702 C ARG A 554 -4.309 -8.067 10.083 1.00 0.00 C ATOM 703 O ARG A 554 -5.353 -7.497 9.803 1.00 0.00 O ATOM 704 CB ARG A 554 -4.507 -10.485 10.709 1.00 0.00 C ATOM 705 CG ARG A 554 -4.763 -11.926 10.244 1.00 0.00 C ATOM 706 CD ARG A 554 -6.111 -12.095 9.523 1.00 0.00 C ATOM 707 NE ARG A 554 -6.319 -13.495 9.123 1.00 0.00 N ATOM 708 CZ ARG A 554 -7.350 -14.010 8.446 1.00 0.00 C ATOM 709 NH1 ARG A 554 -8.367 -13.249 8.044 1.00 0.00 N ATOM 710 NH2 ARG A 554 -7.327 -15.307 8.176 1.00 0.00 N ATOM 0 H ARG A 554 -2.261 -10.460 9.606 1.00 0.00 H new ATOM 0 HA ARG A 554 -4.782 -9.680 8.745 1.00 0.00 H new ATOM 0 HB2 ARG A 554 -3.711 -10.496 11.453 1.00 0.00 H new ATOM 0 HB3 ARG A 554 -5.404 -10.116 11.207 1.00 0.00 H new ATOM 0 HG2 ARG A 554 -3.959 -12.234 9.576 1.00 0.00 H new ATOM 0 HG3 ARG A 554 -4.733 -12.591 11.107 1.00 0.00 H new ATOM 0 HD2 ARG A 554 -6.921 -11.775 10.178 1.00 0.00 H new ATOM 0 HD3 ARG A 554 -6.141 -11.453 8.643 1.00 0.00 H new ATOM 0 HE ARG A 554 -5.588 -14.152 9.395 1.00 0.00 H new ATOM 0 HH11 ARG A 554 -8.370 -12.250 8.252 1.00 0.00 H new ATOM 0 HH12 ARG A 554 -9.143 -13.665 7.529 1.00 0.00 H new ATOM 0 HH21 ARG A 554 -6.540 -15.878 8.483 1.00 0.00 H new ATOM 0 HH22 ARG A 554 -8.097 -15.734 7.661 1.00 0.00 H new ATOM 724 N ALA A 555 -3.316 -7.465 10.745 1.00 0.00 N ATOM 725 CA ALA A 555 -3.424 -6.099 11.246 1.00 0.00 C ATOM 726 C ALA A 555 -3.760 -5.103 10.131 1.00 0.00 C ATOM 727 O ALA A 555 -4.671 -4.291 10.288 1.00 0.00 O ATOM 728 CB ALA A 555 -2.134 -5.706 11.978 1.00 0.00 C ATOM 0 H ALA A 555 -2.421 -7.911 10.946 1.00 0.00 H new ATOM 0 HA ALA A 555 -4.252 -6.063 11.953 1.00 0.00 H new ATOM 0 HB1 ALA A 555 -2.223 -4.685 12.349 1.00 0.00 H new ATOM 0 HB2 ALA A 555 -1.970 -6.384 12.816 1.00 0.00 H new ATOM 0 HB3 ALA A 555 -1.291 -5.770 11.290 1.00 0.00 H new ATOM 734 N ILE A 556 -3.043 -5.148 9.007 1.00 0.00 N ATOM 735 CA ILE A 556 -3.295 -4.260 7.872 1.00 0.00 C ATOM 736 C ILE A 556 -4.657 -4.622 7.260 1.00 0.00 C ATOM 737 O ILE A 556 -5.466 -3.745 6.946 1.00 0.00 O ATOM 738 CB ILE A 556 -2.115 -4.363 6.868 1.00 0.00 C ATOM 739 CG1 ILE A 556 -0.825 -3.796 7.508 1.00 0.00 C ATOM 740 CG2 ILE A 556 -2.403 -3.614 5.558 1.00 0.00 C ATOM 741 CD1 ILE A 556 0.447 -3.961 6.663 1.00 0.00 C ATOM 0 H ILE A 556 -2.273 -5.800 8.858 1.00 0.00 H new ATOM 0 HA ILE A 556 -3.348 -3.216 8.181 1.00 0.00 H new ATOM 0 HB ILE A 556 -1.984 -5.419 6.630 1.00 0.00 H new ATOM 0 HG12 ILE A 556 -0.974 -2.735 7.710 1.00 0.00 H new ATOM 0 HG13 ILE A 556 -0.670 -4.285 8.470 1.00 0.00 H new ATOM 0 HG21 ILE A 556 -1.550 -3.714 4.887 1.00 0.00 H new ATOM 0 HG22 ILE A 556 -3.289 -4.037 5.084 1.00 0.00 H new ATOM 0 HG23 ILE A 556 -2.575 -2.559 5.772 1.00 0.00 H new ATOM 0 HD11 ILE A 556 1.296 -3.533 7.196 1.00 0.00 H new ATOM 0 HD12 ILE A 556 0.629 -5.020 6.482 1.00 0.00 H new ATOM 0 HD13 ILE A 556 0.320 -3.447 5.710 1.00 0.00 H new ATOM 753 N MET A 557 -4.917 -5.921 7.102 1.00 0.00 N ATOM 754 CA MET A 557 -6.106 -6.441 6.440 1.00 0.00 C ATOM 755 C MET A 557 -7.379 -6.065 7.192 1.00 0.00 C ATOM 756 O MET A 557 -8.412 -5.811 6.566 1.00 0.00 O ATOM 757 CB MET A 557 -6.012 -7.970 6.349 1.00 0.00 C ATOM 758 CG MET A 557 -4.926 -8.463 5.388 1.00 0.00 C ATOM 759 SD MET A 557 -5.592 -9.074 3.826 1.00 0.00 S ATOM 760 CE MET A 557 -6.507 -7.611 3.299 1.00 0.00 C ATOM 0 H MET A 557 -4.291 -6.653 7.439 1.00 0.00 H new ATOM 0 HA MET A 557 -6.154 -6.000 5.444 1.00 0.00 H new ATOM 0 HB2 MET A 557 -5.816 -8.373 7.343 1.00 0.00 H new ATOM 0 HB3 MET A 557 -6.976 -8.366 6.029 1.00 0.00 H new ATOM 0 HG2 MET A 557 -4.230 -7.649 5.186 1.00 0.00 H new ATOM 0 HG3 MET A 557 -4.356 -9.258 5.869 1.00 0.00 H new ATOM 0 HE1 MET A 557 -7.003 -7.814 2.350 1.00 0.00 H new ATOM 0 HE2 MET A 557 -7.253 -7.358 4.052 1.00 0.00 H new ATOM 0 HE3 MET A 557 -5.818 -6.775 3.176 1.00 0.00 H new ATOM 770 N ALA A 558 -7.294 -6.027 8.523 1.00 0.00 N ATOM 771 CA ALA A 558 -8.373 -5.747 9.443 1.00 0.00 C ATOM 772 C ALA A 558 -9.038 -4.438 9.053 1.00 0.00 C ATOM 773 O ALA A 558 -10.246 -4.426 8.801 1.00 0.00 O ATOM 774 CB ALA A 558 -7.842 -5.684 10.883 1.00 0.00 C ATOM 0 H ALA A 558 -6.413 -6.203 9.006 1.00 0.00 H new ATOM 0 HA ALA A 558 -9.112 -6.547 9.393 1.00 0.00 H new ATOM 0 HB1 ALA A 558 -8.665 -5.472 11.565 1.00 0.00 H new ATOM 0 HB2 ALA A 558 -7.389 -6.640 11.146 1.00 0.00 H new ATOM 0 HB3 ALA A 558 -7.094 -4.895 10.961 1.00 0.00 H new ATOM 780 N THR A 559 -8.253 -3.361 8.979 1.00 0.00 N ATOM 781 CA THR A 559 -8.786 -2.023 8.781 1.00 0.00 C ATOM 782 C THR A 559 -9.426 -1.931 7.399 1.00 0.00 C ATOM 783 O THR A 559 -10.519 -1.386 7.269 1.00 0.00 O ATOM 784 CB THR A 559 -7.677 -0.974 8.965 1.00 0.00 C ATOM 785 OG1 THR A 559 -6.981 -1.238 10.173 1.00 0.00 O ATOM 786 CG2 THR A 559 -8.285 0.433 9.020 1.00 0.00 C ATOM 0 H THR A 559 -7.236 -3.397 9.055 1.00 0.00 H new ATOM 0 HA THR A 559 -9.554 -1.819 9.527 1.00 0.00 H new ATOM 0 HB THR A 559 -6.988 -1.028 8.122 1.00 0.00 H new ATOM 0 HG1 THR A 559 -6.272 -0.573 10.294 1.00 0.00 H new ATOM 0 HG21 THR A 559 -7.491 1.168 9.151 1.00 0.00 H new ATOM 0 HG22 THR A 559 -8.818 0.636 8.091 1.00 0.00 H new ATOM 0 HG23 THR A 559 -8.979 0.497 9.858 1.00 0.00 H new ATOM 794 N ILE A 560 -8.765 -2.476 6.375 1.00 0.00 N ATOM 795 CA ILE A 560 -9.239 -2.504 5.001 1.00 0.00 C ATOM 796 C ILE A 560 -10.607 -3.202 4.963 1.00 0.00 C ATOM 797 O ILE A 560 -11.611 -2.510 4.786 1.00 0.00 O ATOM 798 CB ILE A 560 -8.119 -3.108 4.120 1.00 0.00 C ATOM 799 CG1 ILE A 560 -6.877 -2.198 4.055 1.00 0.00 C ATOM 800 CG2 ILE A 560 -8.592 -3.346 2.686 1.00 0.00 C ATOM 801 CD1 ILE A 560 -5.642 -2.985 3.593 1.00 0.00 C ATOM 0 H ILE A 560 -7.855 -2.923 6.490 1.00 0.00 H new ATOM 0 HA ILE A 560 -9.430 -1.516 4.581 1.00 0.00 H new ATOM 0 HB ILE A 560 -7.858 -4.055 4.592 1.00 0.00 H new ATOM 0 HG12 ILE A 560 -7.063 -1.371 3.370 1.00 0.00 H new ATOM 0 HG13 ILE A 560 -6.689 -1.763 5.036 1.00 0.00 H new ATOM 0 HG21 ILE A 560 -7.777 -3.771 2.100 1.00 0.00 H new ATOM 0 HG22 ILE A 560 -9.434 -4.038 2.691 1.00 0.00 H new ATOM 0 HG23 ILE A 560 -8.903 -2.400 2.243 1.00 0.00 H new ATOM 0 HD11 ILE A 560 -4.780 -2.320 3.556 1.00 0.00 H new ATOM 0 HD12 ILE A 560 -5.444 -3.796 4.294 1.00 0.00 H new ATOM 0 HD13 ILE A 560 -5.824 -3.399 2.601 1.00 0.00 H new ATOM 813 N GLN A 561 -10.701 -4.514 5.216 1.00 0.00 N ATOM 814 CA GLN A 561 -11.977 -5.225 5.091 1.00 0.00 C ATOM 815 C GLN A 561 -13.080 -4.611 5.978 1.00 0.00 C ATOM 816 O GLN A 561 -14.253 -4.671 5.616 1.00 0.00 O ATOM 817 CB GLN A 561 -11.834 -6.698 5.480 1.00 0.00 C ATOM 818 CG GLN A 561 -11.034 -7.590 4.524 1.00 0.00 C ATOM 819 CD GLN A 561 -11.315 -9.030 4.929 1.00 0.00 C ATOM 820 OE1 GLN A 561 -10.728 -9.548 5.879 1.00 0.00 O ATOM 821 NE2 GLN A 561 -12.237 -9.687 4.241 1.00 0.00 N ATOM 0 H GLN A 561 -9.917 -5.098 5.505 1.00 0.00 H new ATOM 0 HA GLN A 561 -12.262 -5.134 4.043 1.00 0.00 H new ATOM 0 HB2 GLN A 561 -11.365 -6.746 6.463 1.00 0.00 H new ATOM 0 HB3 GLN A 561 -12.833 -7.121 5.583 1.00 0.00 H new ATOM 0 HG2 GLN A 561 -11.332 -7.414 3.490 1.00 0.00 H new ATOM 0 HG3 GLN A 561 -9.968 -7.370 4.591 1.00 0.00 H new ATOM 0 HE21 GLN A 561 -12.708 -9.234 3.458 1.00 0.00 H new ATOM 0 HE22 GLN A 561 -12.476 -10.646 4.494 1.00 0.00 H new ATOM 830 N ARG A 562 -12.732 -4.028 7.135 1.00 0.00 N ATOM 831 CA ARG A 562 -13.652 -3.323 8.038 1.00 0.00 C ATOM 832 C ARG A 562 -14.230 -2.072 7.372 1.00 0.00 C ATOM 833 O ARG A 562 -15.419 -1.783 7.498 1.00 0.00 O ATOM 834 CB ARG A 562 -12.866 -2.999 9.328 1.00 0.00 C ATOM 835 CG ARG A 562 -13.584 -2.254 10.456 1.00 0.00 C ATOM 836 CD ARG A 562 -13.808 -0.770 10.143 1.00 0.00 C ATOM 837 NE ARG A 562 -13.504 0.123 11.269 1.00 0.00 N ATOM 838 CZ ARG A 562 -13.541 1.458 11.207 1.00 0.00 C ATOM 839 NH1 ARG A 562 -14.014 2.061 10.122 1.00 0.00 N ATOM 840 NH2 ARG A 562 -13.096 2.177 12.226 1.00 0.00 N ATOM 0 H ARG A 562 -11.771 -4.035 7.478 1.00 0.00 H new ATOM 0 HA ARG A 562 -14.513 -3.945 8.282 1.00 0.00 H new ATOM 0 HB2 ARG A 562 -12.496 -3.940 9.736 1.00 0.00 H new ATOM 0 HB3 ARG A 562 -11.994 -2.410 9.045 1.00 0.00 H new ATOM 0 HG2 ARG A 562 -14.547 -2.730 10.644 1.00 0.00 H new ATOM 0 HG3 ARG A 562 -13.000 -2.343 11.372 1.00 0.00 H new ATOM 0 HD2 ARG A 562 -13.189 -0.490 9.291 1.00 0.00 H new ATOM 0 HD3 ARG A 562 -14.846 -0.623 9.844 1.00 0.00 H new ATOM 0 HE ARG A 562 -13.247 -0.305 12.159 1.00 0.00 H new ATOM 0 HH11 ARG A 562 -14.349 1.505 9.335 1.00 0.00 H new ATOM 0 HH12 ARG A 562 -14.042 3.080 10.076 1.00 0.00 H new ATOM 0 HH21 ARG A 562 -12.726 1.712 13.055 1.00 0.00 H new ATOM 0 HH22 ARG A 562 -13.123 3.196 12.182 1.00 0.00 H new ATOM 854 N LYS A 563 -13.392 -1.288 6.694 1.00 0.00 N ATOM 855 CA LYS A 563 -13.796 -0.047 6.034 1.00 0.00 C ATOM 856 C LYS A 563 -14.795 -0.307 4.914 1.00 0.00 C ATOM 857 O LYS A 563 -15.646 0.533 4.623 1.00 0.00 O ATOM 858 CB LYS A 563 -12.559 0.626 5.437 1.00 0.00 C ATOM 859 CG LYS A 563 -12.466 2.114 5.723 1.00 0.00 C ATOM 860 CD LYS A 563 -13.553 3.010 5.110 1.00 0.00 C ATOM 861 CE LYS A 563 -13.384 3.007 3.591 1.00 0.00 C ATOM 862 NZ LYS A 563 -14.332 3.901 2.898 1.00 0.00 N ATOM 0 H LYS A 563 -12.400 -1.500 6.586 1.00 0.00 H new ATOM 0 HA LYS A 563 -14.270 0.593 6.779 1.00 0.00 H new ATOM 0 HB2 LYS A 563 -11.667 0.135 5.827 1.00 0.00 H new ATOM 0 HB3 LYS A 563 -12.560 0.473 4.358 1.00 0.00 H new ATOM 0 HG2 LYS A 563 -12.482 2.253 6.804 1.00 0.00 H new ATOM 0 HG3 LYS A 563 -11.497 2.467 5.370 1.00 0.00 H new ATOM 0 HD2 LYS A 563 -14.543 2.644 5.382 1.00 0.00 H new ATOM 0 HD3 LYS A 563 -13.471 4.025 5.498 1.00 0.00 H new ATOM 0 HE2 LYS A 563 -12.366 3.307 3.345 1.00 0.00 H new ATOM 0 HE3 LYS A 563 -13.515 1.991 3.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 563 -14.167 3.854 1.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 563 -15.306 3.602 3.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 563 -14.192 4.878 3.227 1.00 0.00 H new ATOM 876 N TYR A 564 -14.613 -1.430 4.237 1.00 0.00 N ATOM 877 CA TYR A 564 -15.286 -1.772 2.996 1.00 0.00 C ATOM 878 C TYR A 564 -16.141 -3.030 3.192 1.00 0.00 C ATOM 879 O TYR A 564 -16.010 -3.993 2.439 1.00 0.00 O ATOM 880 CB TYR A 564 -14.226 -1.940 1.896 1.00 0.00 C ATOM 881 CG TYR A 564 -13.333 -0.734 1.633 1.00 0.00 C ATOM 882 CD1 TYR A 564 -13.802 0.309 0.815 1.00 0.00 C ATOM 883 CD2 TYR A 564 -12.032 -0.652 2.180 1.00 0.00 C ATOM 884 CE1 TYR A 564 -13.011 1.448 0.591 1.00 0.00 C ATOM 885 CE2 TYR A 564 -11.259 0.511 2.028 1.00 0.00 C ATOM 886 CZ TYR A 564 -11.763 1.569 1.237 1.00 0.00 C ATOM 887 OH TYR A 564 -11.094 2.743 1.192 1.00 0.00 O ATOM 0 H TYR A 564 -13.968 -2.155 4.550 1.00 0.00 H new ATOM 0 HA TYR A 564 -15.967 -0.978 2.691 1.00 0.00 H new ATOM 0 HB2 TYR A 564 -13.591 -2.786 2.159 1.00 0.00 H new ATOM 0 HB3 TYR A 564 -14.734 -2.199 0.967 1.00 0.00 H new ATOM 0 HD1 TYR A 564 -14.777 0.234 0.356 1.00 0.00 H new ATOM 0 HD2 TYR A 564 -11.627 -1.494 2.722 1.00 0.00 H new ATOM 0 HE1 TYR A 564 -13.357 2.227 -0.072 1.00 0.00 H new ATOM 0 HE2 TYR A 564 -10.295 0.596 2.508 1.00 0.00 H new ATOM 0 HH TYR A 564 -11.734 3.482 1.129 1.00 0.00 H new ATOM 897 N LYS A 565 -16.983 -3.063 4.233 1.00 0.00 N ATOM 898 CA LYS A 565 -17.447 -4.287 4.891 1.00 0.00 C ATOM 899 C LYS A 565 -17.943 -5.415 3.989 1.00 0.00 C ATOM 900 O LYS A 565 -17.774 -6.579 4.358 1.00 0.00 O ATOM 901 CB LYS A 565 -18.405 -3.958 6.037 1.00 0.00 C ATOM 902 CG LYS A 565 -19.836 -3.735 5.546 1.00 0.00 C ATOM 903 CD LYS A 565 -20.859 -3.518 6.667 1.00 0.00 C ATOM 904 CE LYS A 565 -20.957 -4.691 7.651 1.00 0.00 C ATOM 905 NZ LYS A 565 -21.407 -5.959 7.035 1.00 0.00 N ATOM 0 H LYS A 565 -17.369 -2.216 4.650 1.00 0.00 H new ATOM 0 HA LYS A 565 -16.542 -4.732 5.305 1.00 0.00 H new ATOM 0 HB2 LYS A 565 -18.394 -4.771 6.763 1.00 0.00 H new ATOM 0 HB3 LYS A 565 -18.057 -3.064 6.555 1.00 0.00 H new ATOM 0 HG2 LYS A 565 -19.850 -2.869 4.884 1.00 0.00 H new ATOM 0 HG3 LYS A 565 -20.142 -4.596 4.952 1.00 0.00 H new ATOM 0 HD2 LYS A 565 -20.595 -2.615 7.218 1.00 0.00 H new ATOM 0 HD3 LYS A 565 -21.839 -3.345 6.223 1.00 0.00 H new ATOM 0 HE2 LYS A 565 -19.981 -4.849 8.110 1.00 0.00 H new ATOM 0 HE3 LYS A 565 -21.647 -4.423 8.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 565 -21.448 -6.702 7.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 565 -22.352 -5.827 6.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 565 -20.738 -6.240 6.290 1.00 0.00 H new ATOM 919 N GLY A 566 -18.573 -5.111 2.854 1.00 0.00 N ATOM 920 CA GLY A 566 -19.135 -6.111 1.960 1.00 0.00 C ATOM 921 C GLY A 566 -18.097 -7.092 1.419 1.00 0.00 C ATOM 922 O GLY A 566 -18.460 -8.207 1.048 1.00 0.00 O ATOM 0 H GLY A 566 -18.706 -4.153 2.531 1.00 0.00 H new ATOM 0 HA2 GLY A 566 -19.909 -6.667 2.489 1.00 0.00 H new ATOM 0 HA3 GLY A 566 -19.620 -5.608 1.123 1.00 0.00 H new ATOM 926 N ILE A 567 -16.823 -6.706 1.383 1.00 0.00 N ATOM 927 CA ILE A 567 -15.739 -7.467 0.776 1.00 0.00 C ATOM 928 C ILE A 567 -15.372 -8.718 1.590 1.00 0.00 C ATOM 929 O ILE A 567 -15.548 -8.767 2.811 1.00 0.00 O ATOM 930 CB ILE A 567 -14.545 -6.512 0.651 1.00 0.00 C ATOM 931 CG1 ILE A 567 -13.531 -6.928 -0.428 1.00 0.00 C ATOM 932 CG2 ILE A 567 -13.921 -6.168 2.004 1.00 0.00 C ATOM 933 CD1 ILE A 567 -12.177 -6.232 -0.251 1.00 0.00 C ATOM 0 H ILE A 567 -16.509 -5.825 1.790 1.00 0.00 H new ATOM 0 HA ILE A 567 -16.047 -7.841 -0.200 1.00 0.00 H new ATOM 0 HB ILE A 567 -14.952 -5.572 0.278 1.00 0.00 H new ATOM 0 HG12 ILE A 567 -13.389 -8.008 -0.393 1.00 0.00 H new ATOM 0 HG13 ILE A 567 -13.933 -6.691 -1.413 1.00 0.00 H new ATOM 0 HG21 ILE A 567 -13.081 -5.490 1.855 1.00 0.00 H new ATOM 0 HG22 ILE A 567 -14.667 -5.688 2.637 1.00 0.00 H new ATOM 0 HG23 ILE A 567 -13.569 -7.081 2.485 1.00 0.00 H new ATOM 0 HD11 ILE A 567 -11.495 -6.558 -1.036 1.00 0.00 H new ATOM 0 HD12 ILE A 567 -12.312 -5.152 -0.313 1.00 0.00 H new ATOM 0 HD13 ILE A 567 -11.760 -6.490 0.722 1.00 0.00 H new ATOM 945 N LYS A 568 -14.750 -9.703 0.947 1.00 0.00 N ATOM 946 CA LYS A 568 -14.129 -10.884 1.535 1.00 0.00 C ATOM 947 C LYS A 568 -12.765 -11.021 0.859 1.00 0.00 C ATOM 948 O LYS A 568 -12.725 -10.834 -0.345 1.00 0.00 O ATOM 949 CB LYS A 568 -15.025 -12.089 1.204 1.00 0.00 C ATOM 950 CG LYS A 568 -14.776 -13.276 2.139 1.00 0.00 C ATOM 951 CD LYS A 568 -15.585 -13.098 3.429 1.00 0.00 C ATOM 952 CE LYS A 568 -15.213 -14.182 4.437 1.00 0.00 C ATOM 953 NZ LYS A 568 -16.133 -14.169 5.590 1.00 0.00 N ATOM 0 H LYS A 568 -14.661 -9.695 -0.069 1.00 0.00 H new ATOM 0 HA LYS A 568 -14.011 -10.819 2.617 1.00 0.00 H new ATOM 0 HB2 LYS A 568 -16.071 -11.790 1.272 1.00 0.00 H new ATOM 0 HB3 LYS A 568 -14.848 -12.398 0.174 1.00 0.00 H new ATOM 0 HG2 LYS A 568 -15.060 -14.205 1.646 1.00 0.00 H new ATOM 0 HG3 LYS A 568 -13.714 -13.351 2.372 1.00 0.00 H new ATOM 0 HD2 LYS A 568 -15.392 -12.113 3.855 1.00 0.00 H new ATOM 0 HD3 LYS A 568 -16.651 -13.147 3.208 1.00 0.00 H new ATOM 0 HE2 LYS A 568 -15.243 -15.159 3.954 1.00 0.00 H new ATOM 0 HE3 LYS A 568 -14.190 -14.028 4.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 -15.859 -14.915 6.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 -16.085 -13.244 6.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 -17.105 -14.339 5.261 1.00 0.00 H new ATOM 967 N ILE A 569 -11.657 -11.264 1.577 1.00 0.00 N ATOM 968 CA ILE A 569 -10.295 -11.427 1.026 1.00 0.00 C ATOM 969 C ILE A 569 -10.284 -12.195 -0.296 1.00 0.00 C ATOM 970 O ILE A 569 -11.042 -13.143 -0.490 1.00 0.00 O ATOM 971 CB ILE A 569 -9.308 -12.069 2.032 1.00 0.00 C ATOM 972 CG1 ILE A 569 -9.235 -11.298 3.360 1.00 0.00 C ATOM 973 CG2 ILE A 569 -7.878 -12.146 1.448 1.00 0.00 C ATOM 974 CD1 ILE A 569 -8.852 -9.824 3.169 1.00 0.00 C ATOM 0 H ILE A 569 -11.682 -11.356 2.593 1.00 0.00 H new ATOM 0 HA ILE A 569 -9.947 -10.413 0.828 1.00 0.00 H new ATOM 0 HB ILE A 569 -9.695 -13.070 2.221 1.00 0.00 H new ATOM 0 HG12 ILE A 569 -10.200 -11.356 3.863 1.00 0.00 H new ATOM 0 HG13 ILE A 569 -8.506 -11.777 4.014 1.00 0.00 H new ATOM 0 HG21 ILE A 569 -7.210 -12.601 2.179 1.00 0.00 H new ATOM 0 HG22 ILE A 569 -7.888 -12.749 0.540 1.00 0.00 H new ATOM 0 HG23 ILE A 569 -7.527 -11.141 1.212 1.00 0.00 H new ATOM 0 HD11 ILE A 569 -8.816 -9.329 4.139 1.00 0.00 H new ATOM 0 HD12 ILE A 569 -7.874 -9.761 2.693 1.00 0.00 H new ATOM 0 HD13 ILE A 569 -9.594 -9.334 2.539 1.00 0.00 H new ATOM 986 N GLN A 570 -9.420 -11.732 -1.192 1.00 0.00 N ATOM 987 CA GLN A 570 -9.251 -12.149 -2.566 1.00 0.00 C ATOM 988 C GLN A 570 -7.741 -12.274 -2.795 1.00 0.00 C ATOM 989 O GLN A 570 -6.952 -11.882 -1.932 1.00 0.00 O ATOM 990 CB GLN A 570 -9.841 -11.079 -3.504 1.00 0.00 C ATOM 991 CG GLN A 570 -11.204 -10.486 -3.102 1.00 0.00 C ATOM 992 CD GLN A 570 -11.113 -9.117 -2.404 1.00 0.00 C ATOM 993 OE1 GLN A 570 -10.834 -8.972 -1.105 1.00 0.00 O flip ATOM 994 NE2 GLN A 570 -11.309 -8.104 -3.052 1.00 0.00 N flip ATOM 0 H GLN A 570 -8.765 -10.990 -0.947 1.00 0.00 H new ATOM 0 HA GLN A 570 -9.759 -13.092 -2.767 1.00 0.00 H new ATOM 0 HB2 GLN A 570 -9.124 -10.262 -3.583 1.00 0.00 H new ATOM 0 HB3 GLN A 570 -9.939 -11.514 -4.499 1.00 0.00 H new ATOM 0 HG2 GLN A 570 -11.822 -10.386 -3.994 1.00 0.00 H new ATOM 0 HG3 GLN A 570 -11.712 -11.187 -2.439 1.00 0.00 H new ATOM 0 HE21 GLN A 570 -11.525 -8.169 -4.047 1.00 0.00 H new ATOM 0 HE22 GLN A 570 -11.257 -7.191 -2.600 1.00 0.00 H new ATOM 1003 N GLU A 571 -7.337 -12.744 -3.965 1.00 0.00 N ATOM 1004 CA GLU A 571 -5.962 -12.730 -4.427 1.00 0.00 C ATOM 1005 C GLU A 571 -5.941 -12.122 -5.821 1.00 0.00 C ATOM 1006 O GLU A 571 -6.915 -12.245 -6.576 1.00 0.00 O ATOM 1007 CB GLU A 571 -5.467 -14.178 -4.401 1.00 0.00 C ATOM 1008 CG GLU A 571 -3.948 -14.370 -4.555 1.00 0.00 C ATOM 1009 CD GLU A 571 -3.578 -15.023 -5.890 1.00 0.00 C ATOM 1010 OE1 GLU A 571 -3.908 -16.214 -6.113 1.00 0.00 O ATOM 1011 OE2 GLU A 571 -2.962 -14.335 -6.731 1.00 0.00 O ATOM 0 H GLU A 571 -7.980 -13.159 -4.639 1.00 0.00 H new ATOM 0 HA GLU A 571 -5.303 -12.130 -3.800 1.00 0.00 H new ATOM 0 HB2 GLU A 571 -5.778 -14.631 -3.460 1.00 0.00 H new ATOM 0 HB3 GLU A 571 -5.966 -14.727 -5.199 1.00 0.00 H new ATOM 0 HG2 GLU A 571 -3.452 -13.403 -4.476 1.00 0.00 H new ATOM 0 HG3 GLU A 571 -3.577 -14.986 -3.736 1.00 0.00 H new ATOM 1018 N GLY A 572 -4.824 -11.481 -6.149 1.00 0.00 N ATOM 1019 CA GLY A 572 -4.687 -10.689 -7.355 1.00 0.00 C ATOM 1020 C GLY A 572 -5.178 -9.263 -7.126 1.00 0.00 C ATOM 1021 O GLY A 572 -5.011 -8.686 -6.049 1.00 0.00 O ATOM 0 H GLY A 572 -3.981 -11.500 -5.575 1.00 0.00 H new ATOM 0 HA2 GLY A 572 -3.643 -10.673 -7.668 1.00 0.00 H new ATOM 0 HA3 GLY A 572 -5.255 -11.149 -8.164 1.00 0.00 H new ATOM 1025 N ILE A 573 -5.687 -8.640 -8.183 1.00 0.00 N ATOM 1026 CA ILE A 573 -6.143 -7.258 -8.183 1.00 0.00 C ATOM 1027 C ILE A 573 -7.425 -7.154 -7.349 1.00 0.00 C ATOM 1028 O ILE A 573 -8.318 -8.007 -7.434 1.00 0.00 O ATOM 1029 CB ILE A 573 -6.255 -6.792 -9.657 1.00 0.00 C ATOM 1030 CG1 ILE A 573 -4.883 -6.197 -10.052 1.00 0.00 C ATOM 1031 CG2 ILE A 573 -7.401 -5.801 -9.936 1.00 0.00 C ATOM 1032 CD1 ILE A 573 -4.675 -6.078 -11.563 1.00 0.00 C ATOM 0 H ILE A 573 -5.796 -9.097 -9.088 1.00 0.00 H new ATOM 0 HA ILE A 573 -5.442 -6.574 -7.704 1.00 0.00 H new ATOM 0 HB ILE A 573 -6.511 -7.657 -10.269 1.00 0.00 H new ATOM 0 HG12 ILE A 573 -4.782 -5.210 -9.602 1.00 0.00 H new ATOM 0 HG13 ILE A 573 -4.093 -6.820 -9.634 1.00 0.00 H new ATOM 0 HG21 ILE A 573 -7.400 -5.532 -10.992 1.00 0.00 H new ATOM 0 HG22 ILE A 573 -8.354 -6.265 -9.680 1.00 0.00 H new ATOM 0 HG23 ILE A 573 -7.261 -4.904 -9.333 1.00 0.00 H new ATOM 0 HD11 ILE A 573 -3.691 -5.653 -11.763 1.00 0.00 H new ATOM 0 HD12 ILE A 573 -4.743 -7.066 -12.019 1.00 0.00 H new ATOM 0 HD13 ILE A 573 -5.443 -5.430 -11.986 1.00 0.00 H new ATOM 1044 N VAL A 574 -7.526 -6.083 -6.557 1.00 0.00 N ATOM 1045 CA VAL A 574 -8.659 -5.820 -5.671 1.00 0.00 C ATOM 1046 C VAL A 574 -9.138 -4.382 -5.861 1.00 0.00 C ATOM 1047 O VAL A 574 -8.752 -3.466 -5.145 1.00 0.00 O ATOM 1048 CB VAL A 574 -8.318 -6.229 -4.219 1.00 0.00 C ATOM 1049 CG1 VAL A 574 -9.368 -5.735 -3.209 1.00 0.00 C ATOM 1050 CG2 VAL A 574 -8.213 -7.758 -4.121 1.00 0.00 C ATOM 0 H VAL A 574 -6.807 -5.361 -6.514 1.00 0.00 H new ATOM 0 HA VAL A 574 -9.514 -6.443 -5.932 1.00 0.00 H new ATOM 0 HB VAL A 574 -7.366 -5.761 -3.970 1.00 0.00 H new ATOM 0 HG11 VAL A 574 -9.082 -6.048 -2.205 1.00 0.00 H new ATOM 0 HG12 VAL A 574 -9.426 -4.647 -3.247 1.00 0.00 H new ATOM 0 HG13 VAL A 574 -10.341 -6.159 -3.458 1.00 0.00 H new ATOM 0 HG21 VAL A 574 -7.973 -8.041 -3.096 1.00 0.00 H new ATOM 0 HG22 VAL A 574 -9.164 -8.207 -4.408 1.00 0.00 H new ATOM 0 HG23 VAL A 574 -7.428 -8.112 -4.789 1.00 0.00 H new ATOM 1060 N ASP A 575 -10.008 -4.191 -6.843 1.00 0.00 N ATOM 1061 CA ASP A 575 -10.763 -2.964 -7.055 1.00 0.00 C ATOM 1062 C ASP A 575 -12.012 -3.052 -6.184 1.00 0.00 C ATOM 1063 O ASP A 575 -13.015 -3.639 -6.608 1.00 0.00 O ATOM 1064 CB ASP A 575 -11.083 -2.869 -8.546 1.00 0.00 C ATOM 1065 CG ASP A 575 -11.918 -1.659 -8.988 1.00 0.00 C ATOM 1066 OD1 ASP A 575 -12.506 -0.895 -8.183 1.00 0.00 O ATOM 1067 OD2 ASP A 575 -11.950 -1.435 -10.223 1.00 0.00 O ATOM 0 H ASP A 575 -10.214 -4.910 -7.537 1.00 0.00 H new ATOM 0 HA ASP A 575 -10.215 -2.064 -6.777 1.00 0.00 H new ATOM 0 HB2 ASP A 575 -10.143 -2.855 -9.097 1.00 0.00 H new ATOM 0 HB3 ASP A 575 -11.612 -3.775 -8.841 1.00 0.00 H new ATOM 1072 N TYR A 576 -11.933 -2.577 -4.939 1.00 0.00 N ATOM 1073 CA TYR A 576 -13.079 -2.556 -4.033 1.00 0.00 C ATOM 1074 C TYR A 576 -13.023 -1.285 -3.190 1.00 0.00 C ATOM 1075 O TYR A 576 -12.416 -1.274 -2.121 1.00 0.00 O ATOM 1076 CB TYR A 576 -13.208 -3.859 -3.199 1.00 0.00 C ATOM 1077 CG TYR A 576 -14.644 -4.138 -2.808 1.00 0.00 C ATOM 1078 CD1 TYR A 576 -15.529 -4.770 -3.703 1.00 0.00 C ATOM 1079 CD2 TYR A 576 -15.084 -3.795 -1.520 1.00 0.00 C ATOM 1080 CE1 TYR A 576 -16.848 -5.066 -3.309 1.00 0.00 C ATOM 1081 CE2 TYR A 576 -16.384 -4.132 -1.109 1.00 0.00 C ATOM 1082 CZ TYR A 576 -17.276 -4.760 -1.998 1.00 0.00 C ATOM 1083 OH TYR A 576 -18.520 -5.093 -1.555 1.00 0.00 O ATOM 0 H TYR A 576 -11.077 -2.198 -4.534 1.00 0.00 H new ATOM 0 HA TYR A 576 -13.998 -2.530 -4.618 1.00 0.00 H new ATOM 0 HB2 TYR A 576 -12.819 -4.699 -3.775 1.00 0.00 H new ATOM 0 HB3 TYR A 576 -12.596 -3.777 -2.301 1.00 0.00 H new ATOM 0 HD1 TYR A 576 -15.194 -5.029 -4.697 1.00 0.00 H new ATOM 0 HD2 TYR A 576 -14.423 -3.272 -0.845 1.00 0.00 H new ATOM 0 HE1 TYR A 576 -17.531 -5.526 -4.008 1.00 0.00 H new ATOM 0 HE2 TYR A 576 -16.702 -3.907 -0.102 1.00 0.00 H new ATOM 0 HH TYR A 576 -18.626 -4.799 -0.626 1.00 0.00 H new ATOM 1093 N GLY A 577 -13.601 -0.183 -3.668 1.00 0.00 N ATOM 1094 CA GLY A 577 -13.697 1.076 -2.921 1.00 0.00 C ATOM 1095 C GLY A 577 -12.398 1.886 -2.898 1.00 0.00 C ATOM 1096 O GLY A 577 -12.452 3.115 -2.852 1.00 0.00 O ATOM 0 H GLY A 577 -14.022 -0.137 -4.596 1.00 0.00 H new ATOM 0 HA2 GLY A 577 -14.487 1.687 -3.358 1.00 0.00 H new ATOM 0 HA3 GLY A 577 -13.995 0.857 -1.896 1.00 0.00 H new ATOM 1100 N VAL A 578 -11.249 1.224 -2.951 1.00 0.00 N ATOM 1101 CA VAL A 578 -9.934 1.739 -3.291 1.00 0.00 C ATOM 1102 C VAL A 578 -9.349 0.696 -4.247 1.00 0.00 C ATOM 1103 O VAL A 578 -9.732 -0.481 -4.229 1.00 0.00 O ATOM 1104 CB VAL A 578 -9.107 1.975 -2.002 1.00 0.00 C ATOM 1105 CG1 VAL A 578 -7.582 1.880 -2.169 1.00 0.00 C ATOM 1106 CG2 VAL A 578 -9.404 3.352 -1.398 1.00 0.00 C ATOM 0 H VAL A 578 -11.214 0.227 -2.738 1.00 0.00 H new ATOM 0 HA VAL A 578 -9.946 2.714 -3.778 1.00 0.00 H new ATOM 0 HB VAL A 578 -9.422 1.160 -1.351 1.00 0.00 H new ATOM 0 HG11 VAL A 578 -7.099 2.061 -1.209 1.00 0.00 H new ATOM 0 HG12 VAL A 578 -7.316 0.885 -2.527 1.00 0.00 H new ATOM 0 HG13 VAL A 578 -7.248 2.626 -2.890 1.00 0.00 H new ATOM 0 HG21 VAL A 578 -8.809 3.489 -0.495 1.00 0.00 H new ATOM 0 HG22 VAL A 578 -9.151 4.128 -2.120 1.00 0.00 H new ATOM 0 HG23 VAL A 578 -10.463 3.419 -1.149 1.00 0.00 H new ATOM 1116 N ARG A 579 -8.432 1.143 -5.100 1.00 0.00 N ATOM 1117 CA ARG A 579 -7.696 0.321 -6.041 1.00 0.00 C ATOM 1118 C ARG A 579 -6.570 -0.369 -5.267 1.00 0.00 C ATOM 1119 O ARG A 579 -5.576 0.282 -4.948 1.00 0.00 O ATOM 1120 CB ARG A 579 -7.213 1.255 -7.173 1.00 0.00 C ATOM 1121 CG ARG A 579 -7.026 0.506 -8.492 1.00 0.00 C ATOM 1122 CD ARG A 579 -6.677 1.465 -9.640 1.00 0.00 C ATOM 1123 NE ARG A 579 -7.031 0.859 -10.933 1.00 0.00 N ATOM 1124 CZ ARG A 579 -6.288 0.695 -12.031 1.00 0.00 C ATOM 1125 NH1 ARG A 579 -5.033 1.128 -12.085 1.00 0.00 N ATOM 1126 NH2 ARG A 579 -6.825 0.084 -13.077 1.00 0.00 N ATOM 0 H ARG A 579 -8.175 2.129 -5.153 1.00 0.00 H new ATOM 0 HA ARG A 579 -8.288 -0.469 -6.503 1.00 0.00 H new ATOM 0 HB2 ARG A 579 -7.935 2.060 -7.312 1.00 0.00 H new ATOM 0 HB3 ARG A 579 -6.270 1.719 -6.883 1.00 0.00 H new ATOM 0 HG2 ARG A 579 -6.234 -0.235 -8.382 1.00 0.00 H new ATOM 0 HG3 ARG A 579 -7.939 -0.038 -8.735 1.00 0.00 H new ATOM 0 HD2 ARG A 579 -7.212 2.406 -9.513 1.00 0.00 H new ATOM 0 HD3 ARG A 579 -5.612 1.698 -9.618 1.00 0.00 H new ATOM 0 HE ARG A 579 -7.988 0.512 -11.001 1.00 0.00 H new ATOM 0 HH11 ARG A 579 -4.620 1.596 -11.278 1.00 0.00 H new ATOM 0 HH12 ARG A 579 -4.483 0.993 -12.933 1.00 0.00 H new ATOM 0 HH21 ARG A 579 -7.788 -0.250 -13.034 1.00 0.00 H new ATOM 0 HH22 ARG A 579 -6.276 -0.052 -13.926 1.00 0.00 H new ATOM 1140 N PHE A 580 -6.701 -1.648 -4.914 1.00 0.00 N ATOM 1141 CA PHE A 580 -5.694 -2.428 -4.192 1.00 0.00 C ATOM 1142 C PHE A 580 -5.092 -3.532 -5.077 1.00 0.00 C ATOM 1143 O PHE A 580 -5.596 -3.840 -6.159 1.00 0.00 O ATOM 1144 CB PHE A 580 -6.276 -3.066 -2.918 1.00 0.00 C ATOM 1145 CG PHE A 580 -6.800 -2.159 -1.822 1.00 0.00 C ATOM 1146 CD1 PHE A 580 -5.935 -1.689 -0.817 1.00 0.00 C ATOM 1147 CD2 PHE A 580 -8.176 -1.894 -1.725 1.00 0.00 C ATOM 1148 CE1 PHE A 580 -6.436 -1.022 0.311 1.00 0.00 C ATOM 1149 CE2 PHE A 580 -8.675 -1.186 -0.619 1.00 0.00 C ATOM 1150 CZ PHE A 580 -7.812 -0.759 0.405 1.00 0.00 C ATOM 0 H PHE A 580 -7.539 -2.188 -5.130 1.00 0.00 H new ATOM 0 HA PHE A 580 -4.907 -1.728 -3.911 1.00 0.00 H new ATOM 0 HB2 PHE A 580 -7.091 -3.723 -3.221 1.00 0.00 H new ATOM 0 HB3 PHE A 580 -5.502 -3.698 -2.482 1.00 0.00 H new ATOM 0 HD1 PHE A 580 -4.871 -1.844 -0.915 1.00 0.00 H new ATOM 0 HD2 PHE A 580 -8.849 -2.234 -2.499 1.00 0.00 H new ATOM 0 HE1 PHE A 580 -5.768 -0.713 1.101 1.00 0.00 H new ATOM 0 HE2 PHE A 580 -9.731 -0.968 -0.555 1.00 0.00 H new ATOM 0 HZ PHE A 580 -8.206 -0.231 1.261 1.00 0.00 H new ATOM 1160 N PHE A 581 -4.016 -4.163 -4.599 1.00 0.00 N ATOM 1161 CA PHE A 581 -3.288 -5.245 -5.260 1.00 0.00 C ATOM 1162 C PHE A 581 -2.808 -6.202 -4.170 1.00 0.00 C ATOM 1163 O PHE A 581 -1.965 -5.827 -3.355 1.00 0.00 O ATOM 1164 CB PHE A 581 -2.145 -4.621 -6.076 1.00 0.00 C ATOM 1165 CG PHE A 581 -1.027 -5.517 -6.577 1.00 0.00 C ATOM 1166 CD1 PHE A 581 0.112 -5.753 -5.778 1.00 0.00 C ATOM 1167 CD2 PHE A 581 -1.054 -5.986 -7.903 1.00 0.00 C ATOM 1168 CE1 PHE A 581 1.243 -6.401 -6.305 1.00 0.00 C ATOM 1169 CE2 PHE A 581 0.081 -6.628 -8.437 1.00 0.00 C ATOM 1170 CZ PHE A 581 1.227 -6.822 -7.643 1.00 0.00 C ATOM 0 H PHE A 581 -3.610 -3.920 -3.695 1.00 0.00 H new ATOM 0 HA PHE A 581 -3.903 -5.815 -5.956 1.00 0.00 H new ATOM 0 HB2 PHE A 581 -2.588 -4.131 -6.943 1.00 0.00 H new ATOM 0 HB3 PHE A 581 -1.693 -3.840 -5.465 1.00 0.00 H new ATOM 0 HD1 PHE A 581 0.115 -5.431 -4.747 1.00 0.00 H new ATOM 0 HD2 PHE A 581 -1.939 -5.855 -8.508 1.00 0.00 H new ATOM 0 HE1 PHE A 581 2.113 -6.572 -5.688 1.00 0.00 H new ATOM 0 HE2 PHE A 581 0.072 -6.973 -9.460 1.00 0.00 H new ATOM 0 HZ PHE A 581 2.099 -7.298 -8.066 1.00 0.00 H new ATOM 1180 N PHE A 582 -3.396 -7.391 -4.087 1.00 0.00 N ATOM 1181 CA PHE A 582 -3.108 -8.403 -3.090 1.00 0.00 C ATOM 1182 C PHE A 582 -2.172 -9.462 -3.692 1.00 0.00 C ATOM 1183 O PHE A 582 -2.249 -9.760 -4.885 1.00 0.00 O ATOM 1184 CB PHE A 582 -4.449 -8.975 -2.582 1.00 0.00 C ATOM 1185 CG PHE A 582 -5.301 -8.064 -1.690 1.00 0.00 C ATOM 1186 CD1 PHE A 582 -4.927 -6.740 -1.366 1.00 0.00 C ATOM 1187 CD2 PHE A 582 -6.486 -8.573 -1.125 1.00 0.00 C ATOM 1188 CE1 PHE A 582 -5.705 -5.963 -0.486 1.00 0.00 C ATOM 1189 CE2 PHE A 582 -7.269 -7.795 -0.254 1.00 0.00 C ATOM 1190 CZ PHE A 582 -6.862 -6.496 0.097 1.00 0.00 C ATOM 0 H PHE A 582 -4.118 -7.684 -4.745 1.00 0.00 H new ATOM 0 HA PHE A 582 -2.583 -7.988 -2.229 1.00 0.00 H new ATOM 0 HB2 PHE A 582 -5.047 -9.256 -3.449 1.00 0.00 H new ATOM 0 HB3 PHE A 582 -4.239 -9.890 -2.029 1.00 0.00 H new ATOM 0 HD1 PHE A 582 -4.032 -6.318 -1.799 1.00 0.00 H new ATOM 0 HD2 PHE A 582 -6.799 -9.578 -1.365 1.00 0.00 H new ATOM 0 HE1 PHE A 582 -5.408 -4.950 -0.259 1.00 0.00 H new ATOM 0 HE2 PHE A 582 -8.187 -8.197 0.147 1.00 0.00 H new ATOM 0 HZ PHE A 582 -7.434 -5.917 0.807 1.00 0.00 H new ATOM 1200 N TYR A 583 -1.262 -10.008 -2.886 1.00 0.00 N ATOM 1201 CA TYR A 583 -0.227 -10.972 -3.247 1.00 0.00 C ATOM 1202 C TYR A 583 0.099 -11.822 -2.021 1.00 0.00 C ATOM 1203 O TYR A 583 -0.008 -11.369 -0.877 1.00 0.00 O ATOM 1204 CB TYR A 583 1.046 -10.264 -3.742 1.00 0.00 C ATOM 1205 CG TYR A 583 1.566 -9.171 -2.830 1.00 0.00 C ATOM 1206 CD1 TYR A 583 1.099 -7.857 -3.002 1.00 0.00 C ATOM 1207 CD2 TYR A 583 2.466 -9.466 -1.787 1.00 0.00 C ATOM 1208 CE1 TYR A 583 1.486 -6.850 -2.108 1.00 0.00 C ATOM 1209 CE2 TYR A 583 2.859 -8.461 -0.886 1.00 0.00 C ATOM 1210 CZ TYR A 583 2.328 -7.159 -1.019 1.00 0.00 C ATOM 1211 OH TYR A 583 2.580 -6.221 -0.066 1.00 0.00 O ATOM 0 H TYR A 583 -1.228 -9.771 -1.895 1.00 0.00 H new ATOM 0 HA TYR A 583 -0.596 -11.600 -4.058 1.00 0.00 H new ATOM 0 HB2 TYR A 583 1.830 -11.009 -3.875 1.00 0.00 H new ATOM 0 HB3 TYR A 583 0.846 -9.833 -4.723 1.00 0.00 H new ATOM 0 HD1 TYR A 583 0.440 -7.623 -3.825 1.00 0.00 H new ATOM 0 HD2 TYR A 583 2.855 -10.468 -1.679 1.00 0.00 H new ATOM 0 HE1 TYR A 583 1.140 -5.837 -2.253 1.00 0.00 H new ATOM 0 HE2 TYR A 583 3.562 -8.683 -0.097 1.00 0.00 H new ATOM 0 HH TYR A 583 1.810 -5.621 0.014 1.00 0.00 H new ATOM 1221 N THR A 584 0.512 -13.059 -2.272 1.00 0.00 N ATOM 1222 CA THR A 584 0.738 -14.061 -1.246 1.00 0.00 C ATOM 1223 C THR A 584 1.945 -13.703 -0.373 1.00 0.00 C ATOM 1224 O THR A 584 2.864 -13.005 -0.815 1.00 0.00 O ATOM 1225 CB THR A 584 0.846 -15.443 -1.913 1.00 0.00 C ATOM 1226 OG1 THR A 584 1.851 -15.510 -2.915 1.00 0.00 O ATOM 1227 CG2 THR A 584 -0.493 -15.857 -2.539 1.00 0.00 C ATOM 0 H THR A 584 0.702 -13.397 -3.215 1.00 0.00 H new ATOM 0 HA THR A 584 -0.108 -14.092 -0.559 1.00 0.00 H new ATOM 0 HB THR A 584 1.123 -16.128 -1.112 1.00 0.00 H new ATOM 0 HG1 THR A 584 1.871 -16.412 -3.299 1.00 0.00 H new ATOM 0 HG21 THR A 584 -0.390 -16.837 -3.004 1.00 0.00 H new ATOM 0 HG22 THR A 584 -1.258 -15.902 -1.764 1.00 0.00 H new ATOM 0 HG23 THR A 584 -0.783 -15.126 -3.294 1.00 0.00 H new ATOM 1235 N SER A 585 1.994 -14.229 0.859 1.00 0.00 N ATOM 1236 CA SER A 585 3.144 -14.002 1.733 1.00 0.00 C ATOM 1237 C SER A 585 4.421 -14.624 1.149 1.00 0.00 C ATOM 1238 O SER A 585 5.527 -14.251 1.537 1.00 0.00 O ATOM 1239 CB SER A 585 2.853 -14.520 3.148 1.00 0.00 C ATOM 1240 OG SER A 585 3.063 -15.913 3.277 1.00 0.00 O ATOM 0 H SER A 585 1.258 -14.807 1.265 1.00 0.00 H new ATOM 0 HA SER A 585 3.317 -12.928 1.800 1.00 0.00 H new ATOM 0 HB2 SER A 585 3.489 -13.994 3.860 1.00 0.00 H new ATOM 0 HB3 SER A 585 1.821 -14.287 3.410 1.00 0.00 H new ATOM 0 HG SER A 585 2.865 -16.190 4.196 1.00 0.00 H new ATOM 1246 N LYS A 586 4.252 -15.598 0.252 1.00 0.00 N ATOM 1247 CA LYS A 586 5.292 -16.416 -0.338 1.00 0.00 C ATOM 1248 C LYS A 586 5.803 -15.854 -1.654 1.00 0.00 C ATOM 1249 O LYS A 586 6.853 -16.313 -2.108 1.00 0.00 O ATOM 1250 CB LYS A 586 4.691 -17.816 -0.506 1.00 0.00 C ATOM 1251 CG LYS A 586 5.614 -18.852 -1.159 1.00 0.00 C ATOM 1252 CD LYS A 586 5.032 -20.237 -0.903 1.00 0.00 C ATOM 1253 CE LYS A 586 5.788 -21.310 -1.678 1.00 0.00 C ATOM 1254 NZ LYS A 586 5.190 -22.636 -1.450 1.00 0.00 N ATOM 0 H LYS A 586 3.326 -15.845 -0.097 1.00 0.00 H new ATOM 0 HA LYS A 586 6.170 -16.440 0.307 1.00 0.00 H new ATOM 0 HB2 LYS A 586 4.394 -18.186 0.475 1.00 0.00 H new ATOM 0 HB3 LYS A 586 3.783 -17.734 -1.104 1.00 0.00 H new ATOM 0 HG2 LYS A 586 5.696 -18.666 -2.230 1.00 0.00 H new ATOM 0 HG3 LYS A 586 6.620 -18.780 -0.745 1.00 0.00 H new ATOM 0 HD2 LYS A 586 5.073 -20.459 0.163 1.00 0.00 H new ATOM 0 HD3 LYS A 586 3.981 -20.251 -1.191 1.00 0.00 H new ATOM 0 HE2 LYS A 586 5.771 -21.076 -2.743 1.00 0.00 H new ATOM 0 HE3 LYS A 586 6.834 -21.319 -1.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 586 5.719 -23.353 -1.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 586 5.228 -22.864 -0.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 586 4.199 -22.629 -1.766 1.00 0.00 H new ATOM 1268 N GLU A 587 5.112 -14.898 -2.282 1.00 0.00 N ATOM 1269 CA GLU A 587 5.700 -14.252 -3.446 1.00 0.00 C ATOM 1270 C GLU A 587 6.876 -13.387 -2.962 1.00 0.00 C ATOM 1271 O GLU A 587 6.653 -12.517 -2.112 1.00 0.00 O ATOM 1272 CB GLU A 587 4.658 -13.457 -4.235 1.00 0.00 C ATOM 1273 CG GLU A 587 5.331 -12.927 -5.509 1.00 0.00 C ATOM 1274 CD GLU A 587 4.373 -12.493 -6.614 1.00 0.00 C ATOM 1275 OE1 GLU A 587 3.127 -12.560 -6.462 1.00 0.00 O ATOM 1276 OE2 GLU A 587 4.886 -12.272 -7.734 1.00 0.00 O ATOM 0 H GLU A 587 4.184 -14.569 -2.015 1.00 0.00 H new ATOM 0 HA GLU A 587 6.075 -14.998 -4.146 1.00 0.00 H new ATOM 0 HB2 GLU A 587 3.807 -14.090 -4.488 1.00 0.00 H new ATOM 0 HB3 GLU A 587 4.274 -12.632 -3.635 1.00 0.00 H new ATOM 0 HG2 GLU A 587 5.962 -12.079 -5.242 1.00 0.00 H new ATOM 0 HG3 GLU A 587 5.989 -13.702 -5.903 1.00 0.00 H new ATOM 1283 N PRO A 588 8.124 -13.622 -3.415 1.00 0.00 N ATOM 1284 CA PRO A 588 9.271 -12.854 -2.961 1.00 0.00 C ATOM 1285 C PRO A 588 9.137 -11.379 -3.275 1.00 0.00 C ATOM 1286 O PRO A 588 8.400 -10.945 -4.158 1.00 0.00 O ATOM 1287 CB PRO A 588 10.513 -13.413 -3.652 1.00 0.00 C ATOM 1288 CG PRO A 588 10.066 -14.776 -4.140 1.00 0.00 C ATOM 1289 CD PRO A 588 8.562 -14.627 -4.365 1.00 0.00 C ATOM 0 HA PRO A 588 9.343 -12.943 -1.877 1.00 0.00 H new ATOM 0 HB2 PRO A 588 10.833 -12.777 -4.477 1.00 0.00 H new ATOM 0 HB3 PRO A 588 11.355 -13.490 -2.964 1.00 0.00 H new ATOM 0 HG2 PRO A 588 10.579 -15.056 -5.060 1.00 0.00 H new ATOM 0 HG3 PRO A 588 10.283 -15.551 -3.405 1.00 0.00 H new ATOM 0 HD2 PRO A 588 8.347 -14.319 -5.388 1.00 0.00 H new ATOM 0 HD3 PRO A 588 8.045 -15.573 -4.201 1.00 0.00 H new ATOM 1297 N VAL A 589 9.960 -10.616 -2.577 1.00 0.00 N ATOM 1298 CA VAL A 589 9.962 -9.166 -2.692 1.00 0.00 C ATOM 1299 C VAL A 589 10.478 -8.786 -4.083 1.00 0.00 C ATOM 1300 O VAL A 589 9.938 -7.882 -4.712 1.00 0.00 O ATOM 1301 CB VAL A 589 10.809 -8.520 -1.577 1.00 0.00 C ATOM 1302 CG1 VAL A 589 10.629 -7.001 -1.562 1.00 0.00 C ATOM 1303 CG2 VAL A 589 10.446 -8.999 -0.170 1.00 0.00 C ATOM 0 H VAL A 589 10.645 -10.982 -1.916 1.00 0.00 H new ATOM 0 HA VAL A 589 8.947 -8.788 -2.570 1.00 0.00 H new ATOM 0 HB VAL A 589 11.832 -8.815 -1.810 1.00 0.00 H new ATOM 0 HG11 VAL A 589 11.237 -6.570 -0.766 1.00 0.00 H new ATOM 0 HG12 VAL A 589 10.941 -6.588 -2.521 1.00 0.00 H new ATOM 0 HG13 VAL A 589 9.580 -6.761 -1.388 1.00 0.00 H new ATOM 0 HG21 VAL A 589 11.084 -8.501 0.560 1.00 0.00 H new ATOM 0 HG22 VAL A 589 9.403 -8.761 0.038 1.00 0.00 H new ATOM 0 HG23 VAL A 589 10.592 -10.077 -0.104 1.00 0.00 H new ATOM 1313 N ALA A 590 11.474 -9.510 -4.602 1.00 0.00 N ATOM 1314 CA ALA A 590 11.949 -9.312 -5.966 1.00 0.00 C ATOM 1315 C ALA A 590 10.797 -9.481 -6.965 1.00 0.00 C ATOM 1316 O ALA A 590 10.643 -8.688 -7.898 1.00 0.00 O ATOM 1317 CB ALA A 590 13.075 -10.308 -6.257 1.00 0.00 C ATOM 0 H ALA A 590 11.967 -10.242 -4.091 1.00 0.00 H new ATOM 0 HA ALA A 590 12.335 -8.298 -6.073 1.00 0.00 H new ATOM 0 HB1 ALA A 590 13.434 -10.164 -7.276 1.00 0.00 H new ATOM 0 HB2 ALA A 590 13.895 -10.145 -5.557 1.00 0.00 H new ATOM 0 HB3 ALA A 590 12.699 -11.325 -6.145 1.00 0.00 H new ATOM 1323 N SER A 591 9.974 -10.508 -6.767 1.00 0.00 N ATOM 1324 CA SER A 591 8.896 -10.870 -7.649 1.00 0.00 C ATOM 1325 C SER A 591 7.737 -9.869 -7.565 1.00 0.00 C ATOM 1326 O SER A 591 7.233 -9.484 -8.621 1.00 0.00 O ATOM 1327 CB SER A 591 8.499 -12.303 -7.297 1.00 0.00 C ATOM 1328 OG SER A 591 9.666 -13.112 -7.201 1.00 0.00 O ATOM 0 H SER A 591 10.052 -11.124 -5.958 1.00 0.00 H new ATOM 0 HA SER A 591 9.206 -10.831 -8.693 1.00 0.00 H new ATOM 0 HB2 SER A 591 7.955 -12.319 -6.353 1.00 0.00 H new ATOM 0 HB3 SER A 591 7.829 -12.703 -8.058 1.00 0.00 H new ATOM 0 HG SER A 591 9.418 -14.056 -7.293 1.00 0.00 H new ATOM 1334 N ILE A 592 7.341 -9.374 -6.381 1.00 0.00 N ATOM 1335 CA ILE A 592 6.310 -8.343 -6.332 1.00 0.00 C ATOM 1336 C ILE A 592 6.850 -7.027 -6.910 1.00 0.00 C ATOM 1337 O ILE A 592 6.163 -6.417 -7.722 1.00 0.00 O ATOM 1338 CB ILE A 592 5.671 -8.207 -4.936 1.00 0.00 C ATOM 1339 CG1 ILE A 592 6.579 -7.557 -3.879 1.00 0.00 C ATOM 1340 CG2 ILE A 592 5.194 -9.560 -4.388 1.00 0.00 C ATOM 1341 CD1 ILE A 592 6.253 -6.074 -3.690 1.00 0.00 C ATOM 0 H ILE A 592 7.710 -9.664 -5.475 1.00 0.00 H new ATOM 0 HA ILE A 592 5.481 -8.650 -6.970 1.00 0.00 H new ATOM 0 HB ILE A 592 4.825 -7.541 -5.105 1.00 0.00 H new ATOM 0 HG12 ILE A 592 6.464 -8.079 -2.929 1.00 0.00 H new ATOM 0 HG13 ILE A 592 7.622 -7.666 -4.178 1.00 0.00 H new ATOM 0 HG21 ILE A 592 4.750 -9.417 -3.403 1.00 0.00 H new ATOM 0 HG22 ILE A 592 4.450 -9.984 -5.063 1.00 0.00 H new ATOM 0 HG23 ILE A 592 6.042 -10.240 -4.309 1.00 0.00 H new ATOM 0 HD11 ILE A 592 6.915 -5.649 -2.935 1.00 0.00 H new ATOM 0 HD12 ILE A 592 6.393 -5.547 -4.634 1.00 0.00 H new ATOM 0 HD13 ILE A 592 5.218 -5.967 -3.366 1.00 0.00 H new ATOM 1353 N ILE A 593 8.092 -6.619 -6.597 1.00 0.00 N ATOM 1354 CA ILE A 593 8.736 -5.430 -7.174 1.00 0.00 C ATOM 1355 C ILE A 593 8.673 -5.499 -8.693 1.00 0.00 C ATOM 1356 O ILE A 593 8.396 -4.493 -9.354 1.00 0.00 O ATOM 1357 CB ILE A 593 10.204 -5.319 -6.685 1.00 0.00 C ATOM 1358 CG1 ILE A 593 10.206 -4.763 -5.242 1.00 0.00 C ATOM 1359 CG2 ILE A 593 11.039 -4.411 -7.612 1.00 0.00 C ATOM 1360 CD1 ILE A 593 11.579 -4.803 -4.570 1.00 0.00 C ATOM 0 H ILE A 593 8.683 -7.113 -5.928 1.00 0.00 H new ATOM 0 HA ILE A 593 8.204 -4.538 -6.843 1.00 0.00 H new ATOM 0 HB ILE A 593 10.660 -6.309 -6.704 1.00 0.00 H new ATOM 0 HG12 ILE A 593 9.849 -3.733 -5.258 1.00 0.00 H new ATOM 0 HG13 ILE A 593 9.500 -5.336 -4.640 1.00 0.00 H new ATOM 0 HG21 ILE A 593 12.062 -4.355 -7.241 1.00 0.00 H new ATOM 0 HG22 ILE A 593 11.041 -4.824 -8.621 1.00 0.00 H new ATOM 0 HG23 ILE A 593 10.604 -3.412 -7.630 1.00 0.00 H new ATOM 0 HD11 ILE A 593 11.502 -4.397 -3.561 1.00 0.00 H new ATOM 0 HD12 ILE A 593 11.930 -5.834 -4.521 1.00 0.00 H new ATOM 0 HD13 ILE A 593 12.285 -4.207 -5.148 1.00 0.00 H new ATOM 1372 N THR A 594 8.965 -6.676 -9.239 1.00 0.00 N ATOM 1373 CA THR A 594 8.886 -6.889 -10.662 1.00 0.00 C ATOM 1374 C THR A 594 7.483 -6.504 -11.152 1.00 0.00 C ATOM 1375 O THR A 594 7.297 -5.692 -12.051 1.00 0.00 O ATOM 1376 CB THR A 594 9.238 -8.323 -11.002 1.00 0.00 C ATOM 1377 OG1 THR A 594 10.567 -8.622 -10.605 1.00 0.00 O ATOM 1378 CG2 THR A 594 9.002 -8.521 -12.495 1.00 0.00 C ATOM 0 H THR A 594 9.259 -7.494 -8.706 1.00 0.00 H new ATOM 0 HA THR A 594 9.610 -6.256 -11.175 1.00 0.00 H new ATOM 0 HB THR A 594 8.605 -9.021 -10.454 1.00 0.00 H new ATOM 0 HG1 THR A 594 10.625 -8.618 -9.627 1.00 0.00 H new ATOM 0 HG21 THR A 594 9.248 -9.547 -12.769 1.00 0.00 H new ATOM 0 HG22 THR A 594 7.955 -8.324 -12.727 1.00 0.00 H new ATOM 0 HG23 THR A 594 9.634 -7.834 -13.058 1.00 0.00 H new ATOM 1386 N LYS A 595 6.490 -7.116 -10.533 1.00 0.00 N ATOM 1387 CA LYS A 595 5.103 -7.063 -10.950 1.00 0.00 C ATOM 1388 C LYS A 595 4.539 -5.650 -10.847 1.00 0.00 C ATOM 1389 O LYS A 595 3.888 -5.214 -11.790 1.00 0.00 O ATOM 1390 CB LYS A 595 4.303 -8.102 -10.158 1.00 0.00 C ATOM 1391 CG LYS A 595 3.122 -8.615 -10.986 1.00 0.00 C ATOM 1392 CD LYS A 595 2.177 -9.533 -10.202 1.00 0.00 C ATOM 1393 CE LYS A 595 1.392 -10.495 -11.103 1.00 0.00 C ATOM 1394 NZ LYS A 595 0.537 -9.822 -12.100 1.00 0.00 N ATOM 0 H LYS A 595 6.633 -7.683 -9.697 1.00 0.00 H new ATOM 0 HA LYS A 595 5.024 -7.320 -12.006 1.00 0.00 H new ATOM 0 HB2 LYS A 595 4.950 -8.935 -9.882 1.00 0.00 H new ATOM 0 HB3 LYS A 595 3.939 -7.660 -9.230 1.00 0.00 H new ATOM 0 HG2 LYS A 595 2.557 -7.763 -11.364 1.00 0.00 H new ATOM 0 HG3 LYS A 595 3.504 -9.155 -11.853 1.00 0.00 H new ATOM 0 HD2 LYS A 595 2.755 -10.110 -9.481 1.00 0.00 H new ATOM 0 HD3 LYS A 595 1.476 -8.923 -9.633 1.00 0.00 H new ATOM 0 HE2 LYS A 595 2.096 -11.145 -11.623 1.00 0.00 H new ATOM 0 HE3 LYS A 595 0.769 -11.135 -10.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 595 0.040 -10.536 -12.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 595 -0.159 -9.222 -11.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 595 1.127 -9.233 -12.722 1.00 0.00 H new ATOM 1408 N LEU A 596 4.834 -4.912 -9.767 1.00 0.00 N ATOM 1409 CA LEU A 596 4.454 -3.502 -9.657 1.00 0.00 C ATOM 1410 C LEU A 596 5.020 -2.715 -10.828 1.00 0.00 C ATOM 1411 O LEU A 596 4.325 -1.898 -11.426 1.00 0.00 O ATOM 1412 CB LEU A 596 4.971 -2.821 -8.373 1.00 0.00 C ATOM 1413 CG LEU A 596 4.192 -3.003 -7.060 1.00 0.00 C ATOM 1414 CD1 LEU A 596 2.671 -2.997 -7.232 1.00 0.00 C ATOM 1415 CD2 LEU A 596 4.633 -4.240 -6.299 1.00 0.00 C ATOM 0 H LEU A 596 5.337 -5.273 -8.956 1.00 0.00 H new ATOM 0 HA LEU A 596 3.364 -3.498 -9.642 1.00 0.00 H new ATOM 0 HB2 LEU A 596 5.988 -3.173 -8.202 1.00 0.00 H new ATOM 0 HB3 LEU A 596 5.033 -1.751 -8.572 1.00 0.00 H new ATOM 0 HG LEU A 596 4.442 -2.122 -6.469 1.00 0.00 H new ATOM 0 HD11 LEU A 596 2.194 -3.131 -6.261 1.00 0.00 H new ATOM 0 HD12 LEU A 596 2.357 -2.046 -7.662 1.00 0.00 H new ATOM 0 HD13 LEU A 596 2.377 -3.810 -7.895 1.00 0.00 H new ATOM 0 HD21 LEU A 596 4.055 -4.327 -5.379 1.00 0.00 H new ATOM 0 HD22 LEU A 596 4.469 -5.124 -6.915 1.00 0.00 H new ATOM 0 HD23 LEU A 596 5.692 -4.159 -6.056 1.00 0.00 H new ATOM 1427 N ASN A 597 6.299 -2.918 -11.140 1.00 0.00 N ATOM 1428 CA ASN A 597 6.912 -2.171 -12.228 1.00 0.00 C ATOM 1429 C ASN A 597 6.302 -2.510 -13.570 1.00 0.00 C ATOM 1430 O ASN A 597 6.155 -1.635 -14.411 1.00 0.00 O ATOM 1431 CB ASN A 597 8.418 -2.336 -12.223 1.00 0.00 C ATOM 1432 CG ASN A 597 9.030 -3.501 -12.919 1.00 0.00 C ATOM 1433 OD1 ASN A 597 9.729 -4.281 -12.135 1.00 0.00 O flip ATOM 1434 ND2 ASN A 597 9.033 -3.641 -14.138 1.00 0.00 N flip ATOM 0 H ASN A 597 6.916 -3.578 -10.666 1.00 0.00 H new ATOM 0 HA ASN A 597 6.701 -1.115 -12.058 1.00 0.00 H new ATOM 0 HB2 ASN A 597 8.847 -1.433 -12.658 1.00 0.00 H new ATOM 0 HB3 ASN A 597 8.739 -2.372 -11.182 1.00 0.00 H new ATOM 0 HD21 ASN A 597 8.478 -3.018 -14.724 1.00 0.00 H new ATOM 0 HD22 ASN A 597 9.590 -4.381 -14.565 1.00 0.00 H new ATOM 1441 N SER A 598 5.892 -3.757 -13.729 1.00 0.00 N ATOM 1442 CA SER A 598 5.229 -4.230 -14.923 1.00 0.00 C ATOM 1443 C SER A 598 3.823 -3.621 -15.102 1.00 0.00 C ATOM 1444 O SER A 598 3.304 -3.637 -16.219 1.00 0.00 O ATOM 1445 CB SER A 598 5.162 -5.758 -14.847 1.00 0.00 C ATOM 1446 OG SER A 598 5.728 -6.354 -15.995 1.00 0.00 O ATOM 0 H SER A 598 6.015 -4.478 -13.018 1.00 0.00 H new ATOM 0 HA SER A 598 5.800 -3.913 -15.796 1.00 0.00 H new ATOM 0 HB2 SER A 598 5.689 -6.103 -13.958 1.00 0.00 H new ATOM 0 HB3 SER A 598 4.124 -6.074 -14.745 1.00 0.00 H new ATOM 0 HG SER A 598 5.673 -7.329 -15.918 1.00 0.00 H new ATOM 1452 N LEU A 599 3.208 -3.090 -14.039 1.00 0.00 N ATOM 1453 CA LEU A 599 1.979 -2.288 -14.067 1.00 0.00 C ATOM 1454 C LEU A 599 2.323 -0.903 -14.603 1.00 0.00 C ATOM 1455 O LEU A 599 1.651 -0.413 -15.511 1.00 0.00 O ATOM 1456 CB LEU A 599 1.327 -2.192 -12.669 1.00 0.00 C ATOM 1457 CG LEU A 599 0.834 -3.518 -12.069 1.00 0.00 C ATOM 1458 CD1 LEU A 599 0.466 -3.331 -10.598 1.00 0.00 C ATOM 1459 CD2 LEU A 599 -0.404 -4.032 -12.802 1.00 0.00 C ATOM 0 H LEU A 599 3.570 -3.213 -13.093 1.00 0.00 H new ATOM 0 HA LEU A 599 1.250 -2.771 -14.718 1.00 0.00 H new ATOM 0 HB2 LEU A 599 2.049 -1.750 -11.982 1.00 0.00 H new ATOM 0 HB3 LEU A 599 0.482 -1.506 -12.729 1.00 0.00 H new ATOM 0 HG LEU A 599 1.645 -4.239 -12.172 1.00 0.00 H new ATOM 0 HD11 LEU A 599 0.119 -4.279 -10.187 1.00 0.00 H new ATOM 0 HD12 LEU A 599 1.342 -2.994 -10.044 1.00 0.00 H new ATOM 0 HD13 LEU A 599 -0.326 -2.586 -10.513 1.00 0.00 H new ATOM 0 HD21 LEU A 599 -0.728 -4.971 -12.354 1.00 0.00 H new ATOM 0 HD22 LEU A 599 -1.205 -3.297 -12.723 1.00 0.00 H new ATOM 0 HD23 LEU A 599 -0.163 -4.195 -13.853 1.00 0.00 H new ATOM 1471 N ASN A 600 3.416 -0.296 -14.125 1.00 0.00 N ATOM 1472 CA ASN A 600 3.838 1.069 -14.484 1.00 0.00 C ATOM 1473 C ASN A 600 2.766 2.068 -14.041 1.00 0.00 C ATOM 1474 O ASN A 600 2.499 3.064 -14.725 1.00 0.00 O ATOM 1475 CB ASN A 600 4.181 1.246 -15.982 1.00 0.00 C ATOM 1476 CG ASN A 600 4.974 0.103 -16.585 1.00 0.00 C ATOM 1477 OD1 ASN A 600 4.297 -0.975 -16.941 1.00 0.00 O flip ATOM 1478 ND2 ASN A 600 6.190 0.167 -16.734 1.00 0.00 N flip ATOM 0 H ASN A 600 4.047 -0.748 -13.463 1.00 0.00 H new ATOM 0 HA ASN A 600 4.770 1.263 -13.954 1.00 0.00 H new ATOM 0 HB2 ASN A 600 3.254 1.364 -16.543 1.00 0.00 H new ATOM 0 HB3 ASN A 600 4.747 2.169 -16.105 1.00 0.00 H new ATOM 0 HD21 ASN A 600 6.695 1.008 -16.453 1.00 0.00 H new ATOM 0 HD22 ASN A 600 6.696 -0.620 -17.139 1.00 0.00 H new ATOM 1485 N GLU A 601 2.111 1.760 -12.920 1.00 0.00 N ATOM 1486 CA GLU A 601 1.013 2.524 -12.352 1.00 0.00 C ATOM 1487 C GLU A 601 1.469 3.124 -11.021 1.00 0.00 C ATOM 1488 O GLU A 601 2.256 2.483 -10.317 1.00 0.00 O ATOM 1489 CB GLU A 601 -0.229 1.630 -12.187 1.00 0.00 C ATOM 1490 CG GLU A 601 -0.633 1.038 -13.543 1.00 0.00 C ATOM 1491 CD GLU A 601 -2.086 0.600 -13.625 1.00 0.00 C ATOM 1492 OE1 GLU A 601 -2.948 1.474 -13.866 1.00 0.00 O ATOM 1493 OE2 GLU A 601 -2.382 -0.615 -13.539 1.00 0.00 O ATOM 0 H GLU A 601 2.345 0.937 -12.365 1.00 0.00 H new ATOM 0 HA GLU A 601 0.732 3.338 -13.020 1.00 0.00 H new ATOM 0 HB2 GLU A 601 -0.019 0.828 -11.479 1.00 0.00 H new ATOM 0 HB3 GLU A 601 -1.054 2.211 -11.775 1.00 0.00 H new ATOM 0 HG2 GLU A 601 -0.444 1.778 -14.320 1.00 0.00 H new ATOM 0 HG3 GLU A 601 0.006 0.181 -13.757 1.00 0.00 H new ATOM 1500 N PRO A 602 1.004 4.335 -10.676 1.00 0.00 N ATOM 1501 CA PRO A 602 1.468 5.054 -9.502 1.00 0.00 C ATOM 1502 C PRO A 602 0.883 4.443 -8.235 1.00 0.00 C ATOM 1503 O PRO A 602 -0.319 4.171 -8.160 1.00 0.00 O ATOM 1504 CB PRO A 602 1.043 6.506 -9.736 1.00 0.00 C ATOM 1505 CG PRO A 602 -0.207 6.380 -10.611 1.00 0.00 C ATOM 1506 CD PRO A 602 0.095 5.158 -11.464 1.00 0.00 C ATOM 0 HA PRO A 602 2.547 4.996 -9.360 1.00 0.00 H new ATOM 0 HB2 PRO A 602 0.825 7.016 -8.798 1.00 0.00 H new ATOM 0 HB3 PRO A 602 1.826 7.077 -10.235 1.00 0.00 H new ATOM 0 HG2 PRO A 602 -1.107 6.242 -10.012 1.00 0.00 H new ATOM 0 HG3 PRO A 602 -0.364 7.269 -11.221 1.00 0.00 H new ATOM 0 HD2 PRO A 602 -0.818 4.613 -11.702 1.00 0.00 H new ATOM 0 HD3 PRO A 602 0.551 5.446 -12.411 1.00 0.00 H new ATOM 1514 N LEU A 603 1.734 4.240 -7.225 1.00 0.00 N ATOM 1515 CA LEU A 603 1.364 3.483 -6.028 1.00 0.00 C ATOM 1516 C LEU A 603 1.362 4.359 -4.779 1.00 0.00 C ATOM 1517 O LEU A 603 1.997 5.417 -4.727 1.00 0.00 O ATOM 1518 CB LEU A 603 2.310 2.295 -5.765 1.00 0.00 C ATOM 1519 CG LEU A 603 2.844 1.517 -6.982 1.00 0.00 C ATOM 1520 CD1 LEU A 603 3.897 0.528 -6.492 1.00 0.00 C ATOM 1521 CD2 LEU A 603 1.753 0.714 -7.683 1.00 0.00 C ATOM 0 H LEU A 603 2.691 4.593 -7.214 1.00 0.00 H new ATOM 0 HA LEU A 603 0.359 3.111 -6.227 1.00 0.00 H new ATOM 0 HB2 LEU A 603 3.167 2.668 -5.204 1.00 0.00 H new ATOM 0 HB3 LEU A 603 1.789 1.589 -5.119 1.00 0.00 H new ATOM 0 HG LEU A 603 3.247 2.243 -7.689 1.00 0.00 H new ATOM 0 HD11 LEU A 603 4.289 -0.035 -7.339 1.00 0.00 H new ATOM 0 HD12 LEU A 603 4.710 1.071 -6.009 1.00 0.00 H new ATOM 0 HD13 LEU A 603 3.445 -0.160 -5.777 1.00 0.00 H new ATOM 0 HD21 LEU A 603 2.181 0.184 -8.534 1.00 0.00 H new ATOM 0 HD22 LEU A 603 1.326 -0.006 -6.985 1.00 0.00 H new ATOM 0 HD23 LEU A 603 0.972 1.389 -8.032 1.00 0.00 H new ATOM 1533 N VAL A 604 0.754 3.844 -3.714 1.00 0.00 N ATOM 1534 CA VAL A 604 0.927 4.307 -2.347 1.00 0.00 C ATOM 1535 C VAL A 604 0.769 3.089 -1.430 1.00 0.00 C ATOM 1536 O VAL A 604 -0.237 2.384 -1.464 1.00 0.00 O ATOM 1537 CB VAL A 604 -0.034 5.481 -2.048 1.00 0.00 C ATOM 1538 CG1 VAL A 604 -1.478 5.193 -2.472 1.00 0.00 C ATOM 1539 CG2 VAL A 604 0.018 5.898 -0.571 1.00 0.00 C ATOM 0 H VAL A 604 0.103 3.062 -3.786 1.00 0.00 H new ATOM 0 HA VAL A 604 1.919 4.723 -2.172 1.00 0.00 H new ATOM 0 HB VAL A 604 0.320 6.314 -2.655 1.00 0.00 H new ATOM 0 HG11 VAL A 604 -2.105 6.053 -2.237 1.00 0.00 H new ATOM 0 HG12 VAL A 604 -1.511 5.002 -3.545 1.00 0.00 H new ATOM 0 HG13 VAL A 604 -1.847 4.318 -1.937 1.00 0.00 H new ATOM 0 HG21 VAL A 604 -0.671 6.725 -0.402 1.00 0.00 H new ATOM 0 HG22 VAL A 604 -0.268 5.053 0.056 1.00 0.00 H new ATOM 0 HG23 VAL A 604 1.031 6.212 -0.317 1.00 0.00 H new ATOM 1549 N THR A 605 1.794 2.784 -0.644 1.00 0.00 N ATOM 1550 CA THR A 605 1.758 1.726 0.364 1.00 0.00 C ATOM 1551 C THR A 605 2.797 2.028 1.447 1.00 0.00 C ATOM 1552 O THR A 605 3.242 3.161 1.612 1.00 0.00 O ATOM 1553 CB THR A 605 1.940 0.347 -0.311 1.00 0.00 C ATOM 1554 OG1 THR A 605 1.765 -0.754 0.568 1.00 0.00 O ATOM 1555 CG2 THR A 605 3.289 0.250 -1.015 1.00 0.00 C ATOM 0 H THR A 605 2.689 3.271 -0.688 1.00 0.00 H new ATOM 0 HA THR A 605 0.787 1.692 0.859 1.00 0.00 H new ATOM 0 HB THR A 605 1.140 0.281 -1.049 1.00 0.00 H new ATOM 0 HG1 THR A 605 1.022 -1.310 0.252 1.00 0.00 H new ATOM 0 HG21 THR A 605 3.387 -0.731 -1.480 1.00 0.00 H new ATOM 0 HG22 THR A 605 3.356 1.023 -1.781 1.00 0.00 H new ATOM 0 HG23 THR A 605 4.089 0.389 -0.288 1.00 0.00 H new ATOM 1563 N MET A 606 3.151 1.008 2.211 1.00 0.00 N ATOM 1564 CA MET A 606 4.133 0.960 3.275 1.00 0.00 C ATOM 1565 C MET A 606 5.319 0.132 2.762 1.00 0.00 C ATOM 1566 O MET A 606 5.257 -0.359 1.629 1.00 0.00 O ATOM 1567 CB MET A 606 3.458 0.341 4.508 1.00 0.00 C ATOM 1568 CG MET A 606 1.971 0.680 4.606 1.00 0.00 C ATOM 1569 SD MET A 606 0.885 -0.596 3.892 1.00 0.00 S ATOM 1570 CE MET A 606 -0.546 0.393 3.404 1.00 0.00 C ATOM 0 H MET A 606 2.708 0.098 2.085 1.00 0.00 H new ATOM 0 HA MET A 606 4.506 1.943 3.563 1.00 0.00 H new ATOM 0 HB2 MET A 606 3.577 -0.742 4.476 1.00 0.00 H new ATOM 0 HB3 MET A 606 3.965 0.691 5.407 1.00 0.00 H new ATOM 0 HG2 MET A 606 1.708 0.825 5.654 1.00 0.00 H new ATOM 0 HG3 MET A 606 1.788 1.627 4.098 1.00 0.00 H new ATOM 0 HE1 MET A 606 -1.065 -0.099 2.581 1.00 0.00 H new ATOM 0 HE2 MET A 606 -1.224 0.495 4.251 1.00 0.00 H new ATOM 0 HE3 MET A 606 -0.214 1.381 3.084 1.00 0.00 H new ATOM 1580 N PRO A 607 6.409 -0.045 3.525 1.00 0.00 N ATOM 1581 CA PRO A 607 7.520 -0.846 3.049 1.00 0.00 C ATOM 1582 C PRO A 607 7.110 -2.323 3.013 1.00 0.00 C ATOM 1583 O PRO A 607 7.170 -2.999 4.036 1.00 0.00 O ATOM 1584 CB PRO A 607 8.678 -0.528 3.995 1.00 0.00 C ATOM 1585 CG PRO A 607 8.033 -0.077 5.296 1.00 0.00 C ATOM 1586 CD PRO A 607 6.644 0.426 4.888 1.00 0.00 C ATOM 0 HA PRO A 607 7.826 -0.622 2.027 1.00 0.00 H new ATOM 0 HB2 PRO A 607 9.307 -1.404 4.153 1.00 0.00 H new ATOM 0 HB3 PRO A 607 9.317 0.253 3.583 1.00 0.00 H new ATOM 0 HG2 PRO A 607 7.963 -0.899 6.009 1.00 0.00 H new ATOM 0 HG3 PRO A 607 8.615 0.711 5.774 1.00 0.00 H new ATOM 0 HD2 PRO A 607 5.880 0.045 5.566 1.00 0.00 H new ATOM 0 HD3 PRO A 607 6.598 1.514 4.935 1.00 0.00 H new ATOM 1594 N ILE A 608 6.619 -2.808 1.867 1.00 0.00 N ATOM 1595 CA ILE A 608 6.216 -4.200 1.633 1.00 0.00 C ATOM 1596 C ILE A 608 7.207 -5.200 2.239 1.00 0.00 C ATOM 1597 O ILE A 608 6.914 -5.801 3.270 1.00 0.00 O ATOM 1598 CB ILE A 608 5.888 -4.453 0.139 1.00 0.00 C ATOM 1599 CG1 ILE A 608 4.657 -3.618 -0.284 1.00 0.00 C ATOM 1600 CG2 ILE A 608 5.699 -5.964 -0.124 1.00 0.00 C ATOM 1601 CD1 ILE A 608 4.308 -3.724 -1.773 1.00 0.00 C ATOM 0 H ILE A 608 6.486 -2.219 1.045 1.00 0.00 H new ATOM 0 HA ILE A 608 5.284 -4.374 2.170 1.00 0.00 H new ATOM 0 HB ILE A 608 6.726 -4.127 -0.477 1.00 0.00 H new ATOM 0 HG12 ILE A 608 3.796 -3.937 0.303 1.00 0.00 H new ATOM 0 HG13 ILE A 608 4.840 -2.572 -0.039 1.00 0.00 H new ATOM 0 HG21 ILE A 608 5.469 -6.124 -1.177 1.00 0.00 H new ATOM 0 HG22 ILE A 608 6.616 -6.495 0.132 1.00 0.00 H new ATOM 0 HG23 ILE A 608 4.879 -6.340 0.487 1.00 0.00 H new ATOM 0 HD11 ILE A 608 3.434 -3.109 -1.986 1.00 0.00 H new ATOM 0 HD12 ILE A 608 5.151 -3.376 -2.370 1.00 0.00 H new ATOM 0 HD13 ILE A 608 4.091 -4.763 -2.023 1.00 0.00 H new ATOM 1613 N GLY A 609 8.361 -5.424 1.616 1.00 0.00 N ATOM 1614 CA GLY A 609 9.340 -6.390 2.110 1.00 0.00 C ATOM 1615 C GLY A 609 10.079 -5.792 3.289 1.00 0.00 C ATOM 1616 O GLY A 609 11.204 -5.355 3.098 1.00 0.00 O ATOM 0 H GLY A 609 8.643 -4.945 0.761 1.00 0.00 H new ATOM 0 HA2 GLY A 609 8.841 -7.312 2.408 1.00 0.00 H new ATOM 0 HA3 GLY A 609 10.043 -6.650 1.319 1.00 0.00 H new ATOM 1620 N TYR A 610 9.458 -5.757 4.465 1.00 0.00 N ATOM 1621 CA TYR A 610 9.979 -5.251 5.725 1.00 0.00 C ATOM 1622 C TYR A 610 9.821 -6.287 6.834 1.00 0.00 C ATOM 1623 O TYR A 610 10.816 -6.718 7.397 1.00 0.00 O ATOM 1624 CB TYR A 610 9.272 -3.933 6.040 1.00 0.00 C ATOM 1625 CG TYR A 610 9.539 -3.349 7.405 1.00 0.00 C ATOM 1626 CD1 TYR A 610 10.856 -3.125 7.849 1.00 0.00 C ATOM 1627 CD2 TYR A 610 8.450 -3.067 8.246 1.00 0.00 C ATOM 1628 CE1 TYR A 610 11.089 -2.667 9.160 1.00 0.00 C ATOM 1629 CE2 TYR A 610 8.670 -2.620 9.555 1.00 0.00 C ATOM 1630 CZ TYR A 610 9.989 -2.417 10.017 1.00 0.00 C ATOM 1631 OH TYR A 610 10.156 -1.914 11.267 1.00 0.00 O ATOM 0 H TYR A 610 8.506 -6.109 4.566 1.00 0.00 H new ATOM 0 HA TYR A 610 11.049 -5.060 5.648 1.00 0.00 H new ATOM 0 HB2 TYR A 610 9.564 -3.199 5.289 1.00 0.00 H new ATOM 0 HB3 TYR A 610 8.198 -4.086 5.936 1.00 0.00 H new ATOM 0 HD1 TYR A 610 11.688 -3.304 7.184 1.00 0.00 H new ATOM 0 HD2 TYR A 610 7.441 -3.195 7.883 1.00 0.00 H new ATOM 0 HE1 TYR A 610 12.098 -2.508 9.509 1.00 0.00 H new ATOM 0 HE2 TYR A 610 7.832 -2.431 10.210 1.00 0.00 H new ATOM 0 HH TYR A 610 9.282 -1.812 11.698 1.00 0.00 H new ATOM 1641 N VAL A 611 8.604 -6.736 7.137 1.00 0.00 N ATOM 1642 CA VAL A 611 8.326 -7.581 8.304 1.00 0.00 C ATOM 1643 C VAL A 611 7.433 -8.754 7.911 1.00 0.00 C ATOM 1644 O VAL A 611 7.763 -9.885 8.246 1.00 0.00 O ATOM 1645 CB VAL A 611 7.786 -6.717 9.466 1.00 0.00 C ATOM 1646 CG1 VAL A 611 7.116 -7.529 10.579 1.00 0.00 C ATOM 1647 CG2 VAL A 611 8.932 -5.919 10.106 1.00 0.00 C ATOM 0 H VAL A 611 7.777 -6.524 6.579 1.00 0.00 H new ATOM 0 HA VAL A 611 9.246 -8.033 8.675 1.00 0.00 H new ATOM 0 HB VAL A 611 7.034 -6.066 9.019 1.00 0.00 H new ATOM 0 HG11 VAL A 611 6.762 -6.855 11.359 1.00 0.00 H new ATOM 0 HG12 VAL A 611 6.272 -8.083 10.168 1.00 0.00 H new ATOM 0 HG13 VAL A 611 7.836 -8.228 11.003 1.00 0.00 H new ATOM 0 HG21 VAL A 611 8.541 -5.313 10.924 1.00 0.00 H new ATOM 0 HG22 VAL A 611 9.684 -6.608 10.492 1.00 0.00 H new ATOM 0 HG23 VAL A 611 9.385 -5.269 9.357 1.00 0.00 H new ATOM 1657 N THR A 612 6.405 -8.543 7.087 1.00 0.00 N ATOM 1658 CA THR A 612 5.590 -9.578 6.434 1.00 0.00 C ATOM 1659 C THR A 612 6.418 -10.615 5.644 1.00 0.00 C ATOM 1660 O THR A 612 5.892 -11.602 5.137 1.00 0.00 O ATOM 1661 CB THR A 612 4.586 -8.840 5.523 1.00 0.00 C ATOM 1662 OG1 THR A 612 3.727 -9.675 4.788 1.00 0.00 O ATOM 1663 CG2 THR A 612 5.298 -7.953 4.500 1.00 0.00 C ATOM 0 H THR A 612 6.101 -7.601 6.843 1.00 0.00 H new ATOM 0 HA THR A 612 5.081 -10.169 7.195 1.00 0.00 H new ATOM 0 HB THR A 612 3.992 -8.261 6.230 1.00 0.00 H new ATOM 0 HG1 THR A 612 2.990 -9.972 5.362 1.00 0.00 H new ATOM 0 HG21 THR A 612 4.558 -7.450 3.877 1.00 0.00 H new ATOM 0 HG22 THR A 612 5.900 -7.209 5.021 1.00 0.00 H new ATOM 0 HG23 THR A 612 5.943 -8.567 3.872 1.00 0.00 H new ATOM 1671 N HIS A 613 7.708 -10.358 5.424 1.00 0.00 N ATOM 1672 CA HIS A 613 8.648 -11.190 4.678 1.00 0.00 C ATOM 1673 C HIS A 613 9.962 -11.326 5.454 1.00 0.00 C ATOM 1674 O HIS A 613 10.948 -11.772 4.869 1.00 0.00 O ATOM 1675 CB HIS A 613 8.872 -10.563 3.287 1.00 0.00 C ATOM 1676 CG HIS A 613 7.777 -10.837 2.271 1.00 0.00 C ATOM 1677 ND1 HIS A 613 6.413 -10.960 2.502 1.00 0.00 N ATOM 1678 CD2 HIS A 613 7.998 -11.124 0.952 1.00 0.00 C ATOM 1679 CE1 HIS A 613 5.824 -11.257 1.330 1.00 0.00 C ATOM 1680 NE2 HIS A 613 6.768 -11.372 0.378 1.00 0.00 N ATOM 0 H HIS A 613 8.149 -9.512 5.784 1.00 0.00 H new ATOM 0 HA HIS A 613 8.242 -12.193 4.548 1.00 0.00 H new ATOM 0 HB2 HIS A 613 8.975 -9.484 3.405 1.00 0.00 H new ATOM 0 HB3 HIS A 613 9.817 -10.932 2.888 1.00 0.00 H new ATOM 0 HD1 HIS A 613 5.942 -10.846 3.400 1.00 0.00 H new ATOM 0 HD2 HIS A 613 8.956 -11.151 0.453 1.00 0.00 H new ATOM 0 HE1 HIS A 613 4.762 -11.383 1.177 1.00 0.00 H new ATOM 0 HE2 HIS A 613 6.602 -11.603 -0.602 1.00 0.00 H new ATOM 1689 N GLY A 614 10.014 -10.911 6.725 1.00 0.00 N ATOM 1690 CA GLY A 614 11.214 -10.993 7.537 1.00 0.00 C ATOM 1691 C GLY A 614 12.398 -10.279 6.894 1.00 0.00 C ATOM 1692 O GLY A 614 13.435 -10.908 6.682 1.00 0.00 O ATOM 0 H GLY A 614 9.215 -10.508 7.214 1.00 0.00 H new ATOM 0 HA2 GLY A 614 11.018 -10.557 8.516 1.00 0.00 H new ATOM 0 HA3 GLY A 614 11.469 -12.040 7.700 1.00 0.00 H new ATOM 1696 N PHE A 615 12.248 -9.007 6.509 1.00 0.00 N ATOM 1697 CA PHE A 615 13.377 -8.169 6.090 1.00 0.00 C ATOM 1698 C PHE A 615 13.816 -7.327 7.311 1.00 0.00 C ATOM 1699 O PHE A 615 13.440 -7.622 8.450 1.00 0.00 O ATOM 1700 CB PHE A 615 12.976 -7.351 4.837 1.00 0.00 C ATOM 1701 CG PHE A 615 13.102 -8.033 3.475 1.00 0.00 C ATOM 1702 CD1 PHE A 615 12.966 -9.425 3.303 1.00 0.00 C ATOM 1703 CD2 PHE A 615 13.376 -7.247 2.341 1.00 0.00 C ATOM 1704 CE1 PHE A 615 13.202 -10.026 2.053 1.00 0.00 C ATOM 1705 CE2 PHE A 615 13.620 -7.837 1.095 1.00 0.00 C ATOM 1706 CZ PHE A 615 13.560 -9.232 0.951 1.00 0.00 C ATOM 0 H PHE A 615 11.346 -8.531 6.479 1.00 0.00 H new ATOM 0 HA PHE A 615 14.244 -8.753 5.780 1.00 0.00 H new ATOM 0 HB2 PHE A 615 11.940 -7.035 4.960 1.00 0.00 H new ATOM 0 HB3 PHE A 615 13.585 -6.447 4.817 1.00 0.00 H new ATOM 0 HD1 PHE A 615 12.676 -10.039 4.143 1.00 0.00 H new ATOM 0 HD2 PHE A 615 13.399 -6.171 2.433 1.00 0.00 H new ATOM 0 HE1 PHE A 615 13.108 -11.096 1.941 1.00 0.00 H new ATOM 0 HE2 PHE A 615 13.855 -7.217 0.242 1.00 0.00 H new ATOM 0 HZ PHE A 615 13.787 -9.691 0.000 1.00 0.00 H new ATOM 1716 N ASN A 616 14.638 -6.297 7.093 1.00 0.00 N ATOM 1717 CA ASN A 616 14.942 -5.231 8.052 1.00 0.00 C ATOM 1718 C ASN A 616 14.585 -3.909 7.386 1.00 0.00 C ATOM 1719 O ASN A 616 14.397 -3.891 6.172 1.00 0.00 O ATOM 1720 CB ASN A 616 16.437 -5.192 8.406 1.00 0.00 C ATOM 1721 CG ASN A 616 16.959 -6.495 8.997 1.00 0.00 C ATOM 1722 OD1 ASN A 616 16.270 -7.141 9.779 1.00 0.00 O ATOM 1723 ND2 ASN A 616 18.154 -6.922 8.642 1.00 0.00 N ATOM 0 H ASN A 616 15.130 -6.178 6.207 1.00 0.00 H new ATOM 0 HA ASN A 616 14.378 -5.408 8.968 1.00 0.00 H new ATOM 0 HB2 ASN A 616 17.008 -4.956 7.508 1.00 0.00 H new ATOM 0 HB3 ASN A 616 16.612 -4.385 9.117 1.00 0.00 H new ATOM 0 HD21 ASN A 616 18.515 -7.799 9.018 1.00 0.00 H new ATOM 0 HD22 ASN A 616 18.718 -6.376 7.991 1.00 0.00 H new ATOM 1730 N LEU A 617 14.564 -2.792 8.120 1.00 0.00 N ATOM 1731 CA LEU A 617 14.282 -1.481 7.532 1.00 0.00 C ATOM 1732 C LEU A 617 15.293 -1.132 6.430 1.00 0.00 C ATOM 1733 O LEU A 617 14.883 -0.616 5.390 1.00 0.00 O ATOM 1734 CB LEU A 617 14.234 -0.397 8.625 1.00 0.00 C ATOM 1735 CG LEU A 617 13.541 0.903 8.167 1.00 0.00 C ATOM 1736 CD1 LEU A 617 12.020 0.724 8.023 1.00 0.00 C ATOM 1737 CD2 LEU A 617 13.784 2.047 9.157 1.00 0.00 C ATOM 0 H LEU A 617 14.740 -2.771 9.125 1.00 0.00 H new ATOM 0 HA LEU A 617 13.300 -1.524 7.061 1.00 0.00 H new ATOM 0 HB2 LEU A 617 13.710 -0.792 9.496 1.00 0.00 H new ATOM 0 HB3 LEU A 617 15.251 -0.166 8.942 1.00 0.00 H new ATOM 0 HG LEU A 617 13.976 1.146 7.197 1.00 0.00 H new ATOM 0 HD11 LEU A 617 11.572 1.663 7.699 1.00 0.00 H new ATOM 0 HD12 LEU A 617 11.813 -0.051 7.284 1.00 0.00 H new ATOM 0 HD13 LEU A 617 11.595 0.432 8.984 1.00 0.00 H new ATOM 0 HD21 LEU A 617 13.282 2.947 8.803 1.00 0.00 H new ATOM 0 HD22 LEU A 617 13.389 1.772 10.135 1.00 0.00 H new ATOM 0 HD23 LEU A 617 14.854 2.237 9.238 1.00 0.00 H new ATOM 1749 N GLU A 618 16.580 -1.459 6.623 1.00 0.00 N ATOM 1750 CA GLU A 618 17.610 -1.275 5.597 1.00 0.00 C ATOM 1751 C GLU A 618 17.257 -2.092 4.366 1.00 0.00 C ATOM 1752 O GLU A 618 17.083 -1.544 3.282 1.00 0.00 O ATOM 1753 CB GLU A 618 19.013 -1.704 6.059 1.00 0.00 C ATOM 1754 CG GLU A 618 19.495 -1.015 7.326 1.00 0.00 C ATOM 1755 CD GLU A 618 20.985 -0.660 7.233 1.00 0.00 C ATOM 1756 OE1 GLU A 618 21.854 -1.498 7.568 1.00 0.00 O ATOM 1757 OE2 GLU A 618 21.350 0.391 6.660 1.00 0.00 O ATOM 0 H GLU A 618 16.932 -1.857 7.493 1.00 0.00 H new ATOM 0 HA GLU A 618 17.636 -0.207 5.381 1.00 0.00 H new ATOM 0 HB2 GLU A 618 19.015 -2.782 6.223 1.00 0.00 H new ATOM 0 HB3 GLU A 618 19.724 -1.502 5.257 1.00 0.00 H new ATOM 0 HG2 GLU A 618 18.913 -0.109 7.494 1.00 0.00 H new ATOM 0 HG3 GLU A 618 19.327 -1.666 8.184 1.00 0.00 H new ATOM 1764 N GLU A 619 17.175 -3.414 4.532 1.00 0.00 N ATOM 1765 CA GLU A 619 16.974 -4.337 3.413 1.00 0.00 C ATOM 1766 C GLU A 619 15.670 -4.033 2.673 1.00 0.00 C ATOM 1767 O GLU A 619 15.592 -4.188 1.452 1.00 0.00 O ATOM 1768 CB GLU A 619 16.975 -5.802 3.865 1.00 0.00 C ATOM 1769 CG GLU A 619 18.241 -6.174 4.661 1.00 0.00 C ATOM 1770 CD GLU A 619 18.859 -7.515 4.259 1.00 0.00 C ATOM 1771 OE1 GLU A 619 18.130 -8.430 3.819 1.00 0.00 O ATOM 1772 OE2 GLU A 619 20.105 -7.638 4.298 1.00 0.00 O ATOM 0 H GLU A 619 17.246 -3.873 5.440 1.00 0.00 H new ATOM 0 HA GLU A 619 17.815 -4.188 2.736 1.00 0.00 H new ATOM 0 HB2 GLU A 619 16.095 -5.989 4.480 1.00 0.00 H new ATOM 0 HB3 GLU A 619 16.896 -6.448 2.991 1.00 0.00 H new ATOM 0 HG2 GLU A 619 18.985 -5.389 4.528 1.00 0.00 H new ATOM 0 HG3 GLU A 619 17.995 -6.203 5.722 1.00 0.00 H new ATOM 1779 N ALA A 620 14.650 -3.581 3.407 1.00 0.00 N ATOM 1780 CA ALA A 620 13.379 -3.171 2.865 1.00 0.00 C ATOM 1781 C ALA A 620 13.573 -2.008 1.902 1.00 0.00 C ATOM 1782 O ALA A 620 13.214 -2.139 0.728 1.00 0.00 O ATOM 1783 CB ALA A 620 12.394 -2.849 4.002 1.00 0.00 C ATOM 0 H ALA A 620 14.700 -3.493 4.422 1.00 0.00 H new ATOM 0 HA ALA A 620 12.941 -3.988 2.292 1.00 0.00 H new ATOM 0 HB1 ALA A 620 11.438 -2.541 3.579 1.00 0.00 H new ATOM 0 HB2 ALA A 620 12.249 -3.735 4.619 1.00 0.00 H new ATOM 0 HB3 ALA A 620 12.797 -2.042 4.615 1.00 0.00 H new ATOM 1789 N ALA A 621 14.158 -0.911 2.386 1.00 0.00 N ATOM 1790 CA ALA A 621 14.470 0.273 1.599 1.00 0.00 C ATOM 1791 C ALA A 621 15.358 -0.093 0.402 1.00 0.00 C ATOM 1792 O ALA A 621 15.053 0.278 -0.731 1.00 0.00 O ATOM 1793 CB ALA A 621 15.156 1.291 2.521 1.00 0.00 C ATOM 0 H ALA A 621 14.434 -0.824 3.364 1.00 0.00 H new ATOM 0 HA ALA A 621 13.558 0.710 1.193 1.00 0.00 H new ATOM 0 HB1 ALA A 621 15.400 2.189 1.954 1.00 0.00 H new ATOM 0 HB2 ALA A 621 14.485 1.551 3.340 1.00 0.00 H new ATOM 0 HB3 ALA A 621 16.071 0.857 2.925 1.00 0.00 H new ATOM 1799 N ARG A 622 16.433 -0.853 0.635 1.00 0.00 N ATOM 1800 CA ARG A 622 17.387 -1.303 -0.381 1.00 0.00 C ATOM 1801 C ARG A 622 16.679 -2.021 -1.522 1.00 0.00 C ATOM 1802 O ARG A 622 16.963 -1.729 -2.685 1.00 0.00 O ATOM 1803 CB ARG A 622 18.441 -2.210 0.255 1.00 0.00 C ATOM 1804 CG ARG A 622 19.491 -1.374 0.999 1.00 0.00 C ATOM 1805 CD ARG A 622 20.157 -2.184 2.113 1.00 0.00 C ATOM 1806 NE ARG A 622 21.626 -2.112 2.064 1.00 0.00 N ATOM 1807 CZ ARG A 622 22.413 -2.897 1.312 1.00 0.00 C ATOM 1808 NH1 ARG A 622 21.901 -3.899 0.607 1.00 0.00 N ATOM 1809 NH2 ARG A 622 23.720 -2.665 1.224 1.00 0.00 N ATOM 0 H ARG A 622 16.670 -1.183 1.571 1.00 0.00 H new ATOM 0 HA ARG A 622 17.882 -0.426 -0.798 1.00 0.00 H new ATOM 0 HB2 ARG A 622 17.963 -2.904 0.947 1.00 0.00 H new ATOM 0 HB3 ARG A 622 18.925 -2.811 -0.515 1.00 0.00 H new ATOM 0 HG2 ARG A 622 20.248 -1.027 0.296 1.00 0.00 H new ATOM 0 HG3 ARG A 622 19.020 -0.487 1.423 1.00 0.00 H new ATOM 0 HD2 ARG A 622 19.811 -1.818 3.080 1.00 0.00 H new ATOM 0 HD3 ARG A 622 19.845 -3.226 2.036 1.00 0.00 H new ATOM 0 HE ARG A 622 22.082 -1.410 2.647 1.00 0.00 H new ATOM 0 HH11 ARG A 622 20.898 -4.080 0.633 1.00 0.00 H new ATOM 0 HH12 ARG A 622 22.511 -4.488 0.040 1.00 0.00 H new ATOM 0 HH21 ARG A 622 24.135 -1.883 1.731 1.00 0.00 H new ATOM 0 HH22 ARG A 622 24.308 -3.269 0.649 1.00 0.00 H new ATOM 1823 N CYS A 623 15.750 -2.931 -1.211 1.00 0.00 N ATOM 1824 CA CYS A 623 14.951 -3.608 -2.225 1.00 0.00 C ATOM 1825 C CYS A 623 14.183 -2.570 -3.058 1.00 0.00 C ATOM 1826 O CYS A 623 14.221 -2.605 -4.286 1.00 0.00 O ATOM 1827 CB CYS A 623 13.987 -4.622 -1.569 1.00 0.00 C ATOM 1828 SG CYS A 623 14.017 -6.190 -2.477 1.00 0.00 S ATOM 0 H CYS A 623 15.535 -3.214 -0.255 1.00 0.00 H new ATOM 0 HA CYS A 623 15.612 -4.164 -2.889 1.00 0.00 H new ATOM 0 HB2 CYS A 623 14.274 -4.789 -0.531 1.00 0.00 H new ATOM 0 HB3 CYS A 623 12.975 -4.218 -1.559 1.00 0.00 H new ATOM 0 HG CYS A 623 13.375 -7.095 -1.801 1.00 0.00 H new ATOM 1834 N MET A 624 13.490 -1.649 -2.384 1.00 0.00 N ATOM 1835 CA MET A 624 12.542 -0.706 -2.981 1.00 0.00 C ATOM 1836 C MET A 624 13.207 0.286 -3.931 1.00 0.00 C ATOM 1837 O MET A 624 12.609 0.616 -4.951 1.00 0.00 O ATOM 1838 CB MET A 624 11.797 0.044 -1.876 1.00 0.00 C ATOM 1839 CG MET A 624 10.975 -0.919 -1.012 1.00 0.00 C ATOM 1840 SD MET A 624 9.187 -0.992 -1.280 1.00 0.00 S ATOM 1841 CE MET A 624 8.717 0.743 -1.074 1.00 0.00 C ATOM 0 H MET A 624 13.576 -1.536 -1.374 1.00 0.00 H new ATOM 0 HA MET A 624 11.841 -1.290 -3.578 1.00 0.00 H new ATOM 0 HB2 MET A 624 12.511 0.579 -1.250 1.00 0.00 H new ATOM 0 HB3 MET A 624 11.139 0.791 -2.319 1.00 0.00 H new ATOM 0 HG2 MET A 624 11.375 -1.922 -1.159 1.00 0.00 H new ATOM 0 HG3 MET A 624 11.145 -0.657 0.032 1.00 0.00 H new ATOM 0 HE1 MET A 624 7.837 0.808 -0.434 1.00 0.00 H new ATOM 0 HE2 MET A 624 9.540 1.291 -0.616 1.00 0.00 H new ATOM 0 HE3 MET A 624 8.490 1.177 -2.048 1.00 0.00 H new ATOM 1851 N ARG A 625 14.453 0.707 -3.671 1.00 0.00 N ATOM 1852 CA ARG A 625 15.262 1.459 -4.643 1.00 0.00 C ATOM 1853 C ARG A 625 15.179 0.834 -6.039 1.00 0.00 C ATOM 1854 O ARG A 625 15.026 1.555 -7.023 1.00 0.00 O ATOM 1855 CB ARG A 625 16.728 1.546 -4.192 1.00 0.00 C ATOM 1856 CG ARG A 625 16.886 2.356 -2.899 1.00 0.00 C ATOM 1857 CD ARG A 625 18.337 2.366 -2.421 1.00 0.00 C ATOM 1858 NE ARG A 625 19.042 3.586 -2.840 1.00 0.00 N ATOM 1859 CZ ARG A 625 20.277 3.700 -3.337 1.00 0.00 C ATOM 1860 NH1 ARG A 625 21.016 2.634 -3.611 1.00 0.00 N ATOM 1861 NH2 ARG A 625 20.765 4.914 -3.545 1.00 0.00 N ATOM 0 H ARG A 625 14.928 0.537 -2.784 1.00 0.00 H new ATOM 0 HA ARG A 625 14.852 2.468 -4.693 1.00 0.00 H new ATOM 0 HB2 ARG A 625 17.120 0.541 -4.040 1.00 0.00 H new ATOM 0 HB3 ARG A 625 17.323 2.004 -4.982 1.00 0.00 H new ATOM 0 HG2 ARG A 625 16.549 3.379 -3.065 1.00 0.00 H new ATOM 0 HG3 ARG A 625 16.249 1.933 -2.123 1.00 0.00 H new ATOM 0 HD2 ARG A 625 18.362 2.287 -1.334 1.00 0.00 H new ATOM 0 HD3 ARG A 625 18.856 1.493 -2.816 1.00 0.00 H new ATOM 0 HE ARG A 625 18.522 4.457 -2.738 1.00 0.00 H new ATOM 0 HH11 ARG A 625 20.645 1.699 -3.443 1.00 0.00 H new ATOM 0 HH12 ARG A 625 21.956 2.749 -3.990 1.00 0.00 H new ATOM 0 HH21 ARG A 625 20.200 5.735 -3.326 1.00 0.00 H new ATOM 0 HH22 ARG A 625 21.705 5.028 -3.924 1.00 0.00 H new ATOM 1875 N SER A 626 15.222 -0.496 -6.117 1.00 0.00 N ATOM 1876 CA SER A 626 15.210 -1.266 -7.349 1.00 0.00 C ATOM 1877 C SER A 626 13.797 -1.511 -7.922 1.00 0.00 C ATOM 1878 O SER A 626 13.667 -2.279 -8.880 1.00 0.00 O ATOM 1879 CB SER A 626 15.943 -2.589 -7.077 1.00 0.00 C ATOM 1880 OG SER A 626 17.057 -2.769 -7.935 1.00 0.00 O ATOM 0 H SER A 626 15.268 -1.086 -5.286 1.00 0.00 H new ATOM 0 HA SER A 626 15.717 -0.688 -8.121 1.00 0.00 H new ATOM 0 HB2 SER A 626 16.278 -2.611 -6.040 1.00 0.00 H new ATOM 0 HB3 SER A 626 15.249 -3.420 -7.205 1.00 0.00 H new ATOM 0 HG SER A 626 17.495 -3.621 -7.728 1.00 0.00 H new ATOM 1886 N LEU A 627 12.729 -0.928 -7.366 1.00 0.00 N ATOM 1887 CA LEU A 627 11.397 -0.927 -7.965 1.00 0.00 C ATOM 1888 C LEU A 627 11.307 0.254 -8.908 1.00 0.00 C ATOM 1889 O LEU A 627 11.602 1.396 -8.561 1.00 0.00 O ATOM 1890 CB LEU A 627 10.335 -0.843 -6.862 1.00 0.00 C ATOM 1891 CG LEU A 627 8.904 -1.234 -7.292 1.00 0.00 C ATOM 1892 CD1 LEU A 627 8.055 -1.392 -6.029 1.00 0.00 C ATOM 1893 CD2 LEU A 627 8.194 -0.284 -8.235 1.00 0.00 C ATOM 0 H LEU A 627 12.771 -0.437 -6.473 1.00 0.00 H new ATOM 0 HA LEU A 627 11.221 -1.846 -8.523 1.00 0.00 H new ATOM 0 HB2 LEU A 627 10.638 -1.489 -6.038 1.00 0.00 H new ATOM 0 HB3 LEU A 627 10.315 0.176 -6.477 1.00 0.00 H new ATOM 0 HG LEU A 627 9.019 -2.155 -7.863 1.00 0.00 H new ATOM 0 HD11 LEU A 627 7.038 -1.669 -6.307 1.00 0.00 H new ATOM 0 HD12 LEU A 627 8.483 -2.171 -5.398 1.00 0.00 H new ATOM 0 HD13 LEU A 627 8.038 -0.450 -5.482 1.00 0.00 H new ATOM 0 HD21 LEU A 627 7.200 -0.670 -8.460 1.00 0.00 H new ATOM 0 HD22 LEU A 627 8.105 0.696 -7.765 1.00 0.00 H new ATOM 0 HD23 LEU A 627 8.766 -0.193 -9.158 1.00 0.00 H new ATOM 1905 N LYS A 628 10.914 -0.048 -10.135 1.00 0.00 N ATOM 1906 CA LYS A 628 11.060 0.843 -11.271 1.00 0.00 C ATOM 1907 C LYS A 628 9.919 1.869 -11.353 1.00 0.00 C ATOM 1908 O LYS A 628 9.973 2.715 -12.238 1.00 0.00 O ATOM 1909 CB LYS A 628 11.170 0.026 -12.577 1.00 0.00 C ATOM 1910 CG LYS A 628 11.732 -1.402 -12.400 1.00 0.00 C ATOM 1911 CD LYS A 628 13.235 -1.386 -12.123 1.00 0.00 C ATOM 1912 CE LYS A 628 13.645 -2.818 -11.814 1.00 0.00 C ATOM 1913 NZ LYS A 628 13.650 -3.656 -13.031 1.00 0.00 N ATOM 0 H LYS A 628 10.476 -0.938 -10.372 1.00 0.00 H new ATOM 0 HA LYS A 628 11.981 1.410 -11.132 1.00 0.00 H new ATOM 0 HB2 LYS A 628 10.182 -0.041 -13.032 1.00 0.00 H new ATOM 0 HB3 LYS A 628 11.807 0.568 -13.276 1.00 0.00 H new ATOM 0 HG2 LYS A 628 11.215 -1.897 -11.578 1.00 0.00 H new ATOM 0 HG3 LYS A 628 11.534 -1.986 -13.299 1.00 0.00 H new ATOM 0 HD2 LYS A 628 13.782 -1.006 -12.986 1.00 0.00 H new ATOM 0 HD3 LYS A 628 13.466 -0.729 -11.284 1.00 0.00 H new ATOM 0 HE2 LYS A 628 14.637 -2.824 -11.363 1.00 0.00 H new ATOM 0 HE3 LYS A 628 12.959 -3.243 -11.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 628 14.108 -4.566 -12.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 628 12.672 -3.823 -13.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 628 14.174 -3.169 -13.786 1.00 0.00 H new ATOM 1927 N ALA A 629 8.902 1.788 -10.479 1.00 0.00 N ATOM 1928 CA ALA A 629 7.648 2.542 -10.586 1.00 0.00 C ATOM 1929 C ALA A 629 7.549 3.695 -9.575 1.00 0.00 C ATOM 1930 O ALA A 629 8.144 3.605 -8.493 1.00 0.00 O ATOM 1931 CB ALA A 629 6.450 1.600 -10.364 1.00 0.00 C ATOM 0 H ALA A 629 8.933 1.181 -9.660 1.00 0.00 H new ATOM 0 HA ALA A 629 7.634 2.972 -11.588 1.00 0.00 H new ATOM 0 HB1 ALA A 629 5.522 2.166 -10.445 1.00 0.00 H new ATOM 0 HB2 ALA A 629 6.462 0.813 -11.118 1.00 0.00 H new ATOM 0 HB3 ALA A 629 6.517 1.153 -9.372 1.00 0.00 H new ATOM 1937 N PRO A 630 6.724 4.725 -9.853 1.00 0.00 N ATOM 1938 CA PRO A 630 6.318 5.727 -8.873 1.00 0.00 C ATOM 1939 C PRO A 630 5.539 5.098 -7.732 1.00 0.00 C ATOM 1940 O PRO A 630 4.585 4.352 -7.949 1.00 0.00 O ATOM 1941 CB PRO A 630 5.412 6.716 -9.605 1.00 0.00 C ATOM 1942 CG PRO A 630 4.980 5.973 -10.864 1.00 0.00 C ATOM 1943 CD PRO A 630 6.130 5.027 -11.151 1.00 0.00 C ATOM 0 HA PRO A 630 7.198 6.210 -8.449 1.00 0.00 H new ATOM 0 HB2 PRO A 630 4.554 6.996 -8.994 1.00 0.00 H new ATOM 0 HB3 PRO A 630 5.943 7.636 -9.849 1.00 0.00 H new ATOM 0 HG2 PRO A 630 4.048 5.430 -10.706 1.00 0.00 H new ATOM 0 HG3 PRO A 630 4.813 6.660 -11.694 1.00 0.00 H new ATOM 0 HD2 PRO A 630 5.778 4.119 -11.641 1.00 0.00 H new ATOM 0 HD3 PRO A 630 6.859 5.487 -11.818 1.00 0.00 H new ATOM 1951 N ALA A 631 5.904 5.432 -6.498 1.00 0.00 N ATOM 1952 CA ALA A 631 5.323 4.812 -5.333 1.00 0.00 C ATOM 1953 C ALA A 631 5.610 5.652 -4.098 1.00 0.00 C ATOM 1954 O ALA A 631 6.778 5.909 -3.790 1.00 0.00 O ATOM 1955 CB ALA A 631 5.934 3.422 -5.181 1.00 0.00 C ATOM 0 H ALA A 631 6.609 6.139 -6.288 1.00 0.00 H new ATOM 0 HA ALA A 631 4.242 4.734 -5.446 1.00 0.00 H new ATOM 0 HB1 ALA A 631 5.510 2.932 -4.305 1.00 0.00 H new ATOM 0 HB2 ALA A 631 5.716 2.830 -6.070 1.00 0.00 H new ATOM 0 HB3 ALA A 631 7.014 3.510 -5.060 1.00 0.00 H new ATOM 1961 N VAL A 632 4.565 6.084 -3.408 1.00 0.00 N ATOM 1962 CA VAL A 632 4.653 6.641 -2.060 1.00 0.00 C ATOM 1963 C VAL A 632 4.886 5.498 -1.058 1.00 0.00 C ATOM 1964 O VAL A 632 4.428 4.365 -1.277 1.00 0.00 O ATOM 1965 CB VAL A 632 3.363 7.441 -1.785 1.00 0.00 C ATOM 1966 CG1 VAL A 632 3.195 7.873 -0.330 1.00 0.00 C ATOM 1967 CG2 VAL A 632 3.339 8.713 -2.631 1.00 0.00 C ATOM 0 H VAL A 632 3.613 6.058 -3.773 1.00 0.00 H new ATOM 0 HA VAL A 632 5.495 7.326 -1.955 1.00 0.00 H new ATOM 0 HB VAL A 632 2.551 6.759 -2.037 1.00 0.00 H new ATOM 0 HG11 VAL A 632 2.264 8.430 -0.221 1.00 0.00 H new ATOM 0 HG12 VAL A 632 3.168 6.991 0.310 1.00 0.00 H new ATOM 0 HG13 VAL A 632 4.033 8.507 -0.040 1.00 0.00 H new ATOM 0 HG21 VAL A 632 2.423 9.268 -2.427 1.00 0.00 H new ATOM 0 HG22 VAL A 632 4.201 9.332 -2.382 1.00 0.00 H new ATOM 0 HG23 VAL A 632 3.375 8.448 -3.688 1.00 0.00 H new ATOM 1977 N VAL A 633 5.576 5.803 0.045 1.00 0.00 N ATOM 1978 CA VAL A 633 5.884 4.892 1.143 1.00 0.00 C ATOM 1979 C VAL A 633 5.400 5.521 2.449 1.00 0.00 C ATOM 1980 O VAL A 633 5.512 6.731 2.637 1.00 0.00 O ATOM 1981 CB VAL A 633 7.395 4.582 1.163 1.00 0.00 C ATOM 1982 CG1 VAL A 633 7.742 3.555 2.257 1.00 0.00 C ATOM 1983 CG2 VAL A 633 7.833 3.983 -0.179 1.00 0.00 C ATOM 0 H VAL A 633 5.952 6.738 0.201 1.00 0.00 H new ATOM 0 HA VAL A 633 5.369 3.940 1.012 1.00 0.00 H new ATOM 0 HB VAL A 633 7.910 5.523 1.358 1.00 0.00 H new ATOM 0 HG11 VAL A 633 8.814 3.358 2.245 1.00 0.00 H new ATOM 0 HG12 VAL A 633 7.457 3.951 3.232 1.00 0.00 H new ATOM 0 HG13 VAL A 633 7.201 2.627 2.070 1.00 0.00 H new ATOM 0 HG21 VAL A 633 8.901 3.769 -0.151 1.00 0.00 H new ATOM 0 HG22 VAL A 633 7.283 3.060 -0.362 1.00 0.00 H new ATOM 0 HG23 VAL A 633 7.626 4.694 -0.979 1.00 0.00 H new ATOM 1993 N SER A 634 4.904 4.704 3.377 1.00 0.00 N ATOM 1994 CA SER A 634 4.404 5.186 4.647 1.00 0.00 C ATOM 1995 C SER A 634 4.748 4.200 5.753 1.00 0.00 C ATOM 1996 O SER A 634 4.145 3.133 5.866 1.00 0.00 O ATOM 1997 CB SER A 634 2.917 5.441 4.493 1.00 0.00 C ATOM 1998 OG SER A 634 2.399 6.054 5.646 1.00 0.00 O ATOM 0 H SER A 634 4.841 3.692 3.262 1.00 0.00 H new ATOM 0 HA SER A 634 4.876 6.125 4.938 1.00 0.00 H new ATOM 0 HB2 SER A 634 2.739 6.077 3.626 1.00 0.00 H new ATOM 0 HB3 SER A 634 2.398 4.500 4.310 1.00 0.00 H new ATOM 0 HG SER A 634 1.909 5.392 6.177 1.00 0.00 H new ATOM 2004 N VAL A 635 5.755 4.539 6.547 1.00 0.00 N ATOM 2005 CA VAL A 635 6.156 3.798 7.739 1.00 0.00 C ATOM 2006 C VAL A 635 5.200 4.113 8.897 1.00 0.00 C ATOM 2007 O VAL A 635 4.588 5.181 8.930 1.00 0.00 O ATOM 2008 CB VAL A 635 7.607 4.179 8.092 1.00 0.00 C ATOM 2009 CG1 VAL A 635 8.600 3.454 7.172 1.00 0.00 C ATOM 2010 CG2 VAL A 635 7.858 5.691 8.008 1.00 0.00 C ATOM 0 H VAL A 635 6.334 5.361 6.376 1.00 0.00 H new ATOM 0 HA VAL A 635 6.107 2.725 7.552 1.00 0.00 H new ATOM 0 HB VAL A 635 7.761 3.868 9.125 1.00 0.00 H new ATOM 0 HG11 VAL A 635 9.618 3.738 7.439 1.00 0.00 H new ATOM 0 HG12 VAL A 635 8.482 2.376 7.287 1.00 0.00 H new ATOM 0 HG13 VAL A 635 8.406 3.732 6.136 1.00 0.00 H new ATOM 0 HG21 VAL A 635 8.896 5.903 8.267 1.00 0.00 H new ATOM 0 HG22 VAL A 635 7.659 6.037 6.994 1.00 0.00 H new ATOM 0 HG23 VAL A 635 7.198 6.209 8.704 1.00 0.00 H new ATOM 2020 N SER A 636 5.089 3.216 9.880 1.00 0.00 N ATOM 2021 CA SER A 636 4.251 3.459 11.048 1.00 0.00 C ATOM 2022 C SER A 636 4.771 4.576 11.961 1.00 0.00 C ATOM 2023 O SER A 636 3.965 5.121 12.723 1.00 0.00 O ATOM 2024 CB SER A 636 4.039 2.151 11.826 1.00 0.00 C ATOM 2025 OG SER A 636 5.267 1.554 12.214 1.00 0.00 O ATOM 0 H SER A 636 5.570 2.317 9.887 1.00 0.00 H new ATOM 0 HA SER A 636 3.291 3.817 10.676 1.00 0.00 H new ATOM 0 HB2 SER A 636 3.438 2.351 12.713 1.00 0.00 H new ATOM 0 HB3 SER A 636 3.475 1.451 11.210 1.00 0.00 H new ATOM 0 HG SER A 636 5.087 0.726 12.707 1.00 0.00 H new ATOM 2031 N SER A 637 6.063 4.923 11.901 1.00 0.00 N ATOM 2032 CA SER A 637 6.720 5.774 12.893 1.00 0.00 C ATOM 2033 C SER A 637 7.385 6.990 12.247 1.00 0.00 C ATOM 2034 O SER A 637 7.800 6.912 11.088 1.00 0.00 O ATOM 2035 CB SER A 637 7.763 4.956 13.663 1.00 0.00 C ATOM 2036 OG SER A 637 8.660 4.286 12.808 1.00 0.00 O ATOM 0 H SER A 637 6.685 4.616 11.153 1.00 0.00 H new ATOM 0 HA SER A 637 5.956 6.141 13.579 1.00 0.00 H new ATOM 0 HB2 SER A 637 8.322 5.617 14.325 1.00 0.00 H new ATOM 0 HB3 SER A 637 7.255 4.227 14.295 1.00 0.00 H new ATOM 0 HG SER A 637 9.306 3.780 13.343 1.00 0.00 H new ATOM 2042 N PRO A 638 7.566 8.092 12.995 1.00 0.00 N ATOM 2043 CA PRO A 638 8.186 9.299 12.470 1.00 0.00 C ATOM 2044 C PRO A 638 9.706 9.136 12.321 1.00 0.00 C ATOM 2045 O PRO A 638 10.329 9.773 11.478 1.00 0.00 O ATOM 2046 CB PRO A 638 7.842 10.395 13.481 1.00 0.00 C ATOM 2047 CG PRO A 638 7.702 9.643 14.804 1.00 0.00 C ATOM 2048 CD PRO A 638 7.154 8.283 14.382 1.00 0.00 C ATOM 0 HA PRO A 638 7.820 9.536 11.471 1.00 0.00 H new ATOM 0 HB2 PRO A 638 8.625 11.151 13.532 1.00 0.00 H new ATOM 0 HB3 PRO A 638 6.919 10.909 13.214 1.00 0.00 H new ATOM 0 HG2 PRO A 638 8.660 9.549 15.316 1.00 0.00 H new ATOM 0 HG3 PRO A 638 7.024 10.155 15.487 1.00 0.00 H new ATOM 0 HD2 PRO A 638 7.548 7.490 15.018 1.00 0.00 H new ATOM 0 HD3 PRO A 638 6.068 8.255 14.473 1.00 0.00 H new ATOM 2056 N ASP A 639 10.342 8.284 13.126 1.00 0.00 N ATOM 2057 CA ASP A 639 11.801 8.100 13.124 1.00 0.00 C ATOM 2058 C ASP A 639 12.254 7.346 11.886 1.00 0.00 C ATOM 2059 O ASP A 639 13.379 7.476 11.400 1.00 0.00 O ATOM 2060 CB ASP A 639 12.216 7.324 14.377 1.00 0.00 C ATOM 2061 CG ASP A 639 11.985 8.105 15.666 1.00 0.00 C ATOM 2062 OD1 ASP A 639 11.765 9.339 15.593 1.00 0.00 O ATOM 2063 OD2 ASP A 639 11.927 7.436 16.725 1.00 0.00 O ATOM 0 H ASP A 639 9.859 7.696 13.805 1.00 0.00 H new ATOM 0 HA ASP A 639 12.274 9.082 13.119 1.00 0.00 H new ATOM 0 HB2 ASP A 639 11.657 6.389 14.420 1.00 0.00 H new ATOM 0 HB3 ASP A 639 13.271 7.061 14.302 1.00 0.00 H new ATOM 2068 N ALA A 640 11.330 6.574 11.347 1.00 0.00 N ATOM 2069 CA ALA A 640 11.519 5.719 10.210 1.00 0.00 C ATOM 2070 C ALA A 640 11.368 6.529 8.927 1.00 0.00 C ATOM 2071 O ALA A 640 12.002 6.163 7.949 1.00 0.00 O ATOM 2072 CB ALA A 640 10.542 4.550 10.306 1.00 0.00 C ATOM 0 H ALA A 640 10.380 6.530 11.716 1.00 0.00 H new ATOM 0 HA ALA A 640 12.526 5.301 10.194 1.00 0.00 H new ATOM 0 HB1 ALA A 640 10.676 3.893 9.447 1.00 0.00 H new ATOM 0 HB2 ALA A 640 10.731 3.992 11.223 1.00 0.00 H new ATOM 0 HB3 ALA A 640 9.520 4.930 10.317 1.00 0.00 H new ATOM 2078 N VAL A 641 10.624 7.645 8.920 1.00 0.00 N ATOM 2079 CA VAL A 641 10.518 8.536 7.762 1.00 0.00 C ATOM 2080 C VAL A 641 11.922 8.988 7.368 1.00 0.00 C ATOM 2081 O VAL A 641 12.292 8.958 6.197 1.00 0.00 O ATOM 2082 CB VAL A 641 9.625 9.751 8.106 1.00 0.00 C ATOM 2083 CG1 VAL A 641 9.466 10.711 6.921 1.00 0.00 C ATOM 2084 CG2 VAL A 641 8.229 9.306 8.533 1.00 0.00 C ATOM 0 H VAL A 641 10.077 7.954 9.724 1.00 0.00 H new ATOM 0 HA VAL A 641 10.058 8.011 6.925 1.00 0.00 H new ATOM 0 HB VAL A 641 10.129 10.266 8.924 1.00 0.00 H new ATOM 0 HG11 VAL A 641 8.831 11.547 7.213 1.00 0.00 H new ATOM 0 HG12 VAL A 641 10.445 11.086 6.623 1.00 0.00 H new ATOM 0 HG13 VAL A 641 9.009 10.183 6.084 1.00 0.00 H new ATOM 0 HG21 VAL A 641 7.624 10.182 8.769 1.00 0.00 H new ATOM 0 HG22 VAL A 641 7.761 8.749 7.722 1.00 0.00 H new ATOM 0 HG23 VAL A 641 8.304 8.669 9.414 1.00 0.00 H new ATOM 2094 N THR A 642 12.695 9.366 8.377 1.00 0.00 N ATOM 2095 CA THR A 642 14.060 9.819 8.330 1.00 0.00 C ATOM 2096 C THR A 642 14.982 8.632 8.066 1.00 0.00 C ATOM 2097 O THR A 642 15.808 8.680 7.152 1.00 0.00 O ATOM 2098 CB THR A 642 14.284 10.449 9.720 1.00 0.00 C ATOM 2099 OG1 THR A 642 13.393 11.536 9.883 1.00 0.00 O ATOM 2100 CG2 THR A 642 15.708 10.954 9.932 1.00 0.00 C ATOM 0 H THR A 642 12.340 9.359 9.333 1.00 0.00 H new ATOM 0 HA THR A 642 14.268 10.534 7.534 1.00 0.00 H new ATOM 0 HB THR A 642 14.104 9.664 10.455 1.00 0.00 H new ATOM 0 HG1 THR A 642 13.528 11.941 10.765 1.00 0.00 H new ATOM 0 HG21 THR A 642 15.797 11.385 10.929 1.00 0.00 H new ATOM 0 HG22 THR A 642 16.407 10.124 9.832 1.00 0.00 H new ATOM 0 HG23 THR A 642 15.939 11.715 9.186 1.00 0.00 H new ATOM 2108 N THR A 643 14.861 7.567 8.866 1.00 0.00 N ATOM 2109 CA THR A 643 15.802 6.466 8.806 1.00 0.00 C ATOM 2110 C THR A 643 15.767 5.799 7.423 1.00 0.00 C ATOM 2111 O THR A 643 16.809 5.630 6.792 1.00 0.00 O ATOM 2112 CB THR A 643 15.540 5.477 9.953 1.00 0.00 C ATOM 2113 OG1 THR A 643 15.641 6.086 11.228 1.00 0.00 O ATOM 2114 CG2 THR A 643 16.571 4.363 9.946 1.00 0.00 C ATOM 0 H THR A 643 14.120 7.453 9.557 1.00 0.00 H new ATOM 0 HA THR A 643 16.814 6.848 8.942 1.00 0.00 H new ATOM 0 HB THR A 643 14.529 5.104 9.789 1.00 0.00 H new ATOM 0 HG1 THR A 643 14.992 6.818 11.293 1.00 0.00 H new ATOM 0 HG21 THR A 643 16.368 3.674 10.766 1.00 0.00 H new ATOM 0 HG22 THR A 643 16.520 3.826 8.999 1.00 0.00 H new ATOM 0 HG23 THR A 643 17.567 4.788 10.068 1.00 0.00 H new ATOM 2122 N TYR A 644 14.566 5.460 6.947 1.00 0.00 N ATOM 2123 CA TYR A 644 14.314 4.777 5.688 1.00 0.00 C ATOM 2124 C TYR A 644 14.867 5.595 4.522 1.00 0.00 C ATOM 2125 O TYR A 644 15.641 5.083 3.714 1.00 0.00 O ATOM 2126 CB TYR A 644 12.799 4.562 5.580 1.00 0.00 C ATOM 2127 CG TYR A 644 12.337 3.643 4.479 1.00 0.00 C ATOM 2128 CD1 TYR A 644 12.203 2.276 4.761 1.00 0.00 C ATOM 2129 CD2 TYR A 644 11.962 4.149 3.221 1.00 0.00 C ATOM 2130 CE1 TYR A 644 11.692 1.393 3.803 1.00 0.00 C ATOM 2131 CE2 TYR A 644 11.468 3.268 2.243 1.00 0.00 C ATOM 2132 CZ TYR A 644 11.329 1.893 2.536 1.00 0.00 C ATOM 2133 OH TYR A 644 10.813 1.050 1.609 1.00 0.00 O ATOM 0 H TYR A 644 13.707 5.667 7.457 1.00 0.00 H new ATOM 0 HA TYR A 644 14.819 3.812 5.652 1.00 0.00 H new ATOM 0 HB2 TYR A 644 12.440 4.167 6.530 1.00 0.00 H new ATOM 0 HB3 TYR A 644 12.324 5.533 5.439 1.00 0.00 H new ATOM 0 HD1 TYR A 644 12.498 1.900 5.730 1.00 0.00 H new ATOM 0 HD2 TYR A 644 12.053 5.204 3.009 1.00 0.00 H new ATOM 0 HE1 TYR A 644 11.577 0.344 4.031 1.00 0.00 H new ATOM 0 HE2 TYR A 644 11.195 3.642 1.268 1.00 0.00 H new ATOM 0 HH TYR A 644 10.763 0.145 1.982 1.00 0.00 H new ATOM 2143 N ASN A 645 14.514 6.884 4.470 1.00 0.00 N ATOM 2144 CA ASN A 645 15.001 7.829 3.460 1.00 0.00 C ATOM 2145 C ASN A 645 16.525 7.881 3.454 1.00 0.00 C ATOM 2146 O ASN A 645 17.147 7.945 2.395 1.00 0.00 O ATOM 2147 CB ASN A 645 14.459 9.239 3.750 1.00 0.00 C ATOM 2148 CG ASN A 645 13.313 9.636 2.828 1.00 0.00 C ATOM 2149 OD1 ASN A 645 13.395 9.533 1.604 1.00 0.00 O ATOM 2150 ND2 ASN A 645 12.211 10.083 3.398 1.00 0.00 N ATOM 0 H ASN A 645 13.871 7.307 5.140 1.00 0.00 H new ATOM 0 HA ASN A 645 14.650 7.487 2.486 1.00 0.00 H new ATOM 0 HB2 ASN A 645 14.119 9.286 4.785 1.00 0.00 H new ATOM 0 HB3 ASN A 645 15.268 9.962 3.647 1.00 0.00 H new ATOM 0 HD21 ASN A 645 11.411 10.349 2.823 1.00 0.00 H new ATOM 0 HD22 ASN A 645 12.158 10.163 4.414 1.00 0.00 H new ATOM 2157 N GLY A 646 17.128 7.804 4.639 1.00 0.00 N ATOM 2158 CA GLY A 646 18.562 7.784 4.825 1.00 0.00 C ATOM 2159 C GLY A 646 19.234 6.658 4.057 1.00 0.00 C ATOM 2160 O GLY A 646 20.299 6.868 3.478 1.00 0.00 O ATOM 0 H GLY A 646 16.610 7.753 5.516 1.00 0.00 H new ATOM 0 HA2 GLY A 646 18.980 8.738 4.504 1.00 0.00 H new ATOM 0 HA3 GLY A 646 18.786 7.679 5.887 1.00 0.00 H new ATOM 2164 N TYR A 647 18.619 5.475 4.027 1.00 0.00 N ATOM 2165 CA TYR A 647 19.124 4.359 3.243 1.00 0.00 C ATOM 2166 C TYR A 647 18.904 4.614 1.747 1.00 0.00 C ATOM 2167 O TYR A 647 19.771 4.285 0.935 1.00 0.00 O ATOM 2168 CB TYR A 647 18.456 3.050 3.695 1.00 0.00 C ATOM 2169 CG TYR A 647 18.458 2.795 5.198 1.00 0.00 C ATOM 2170 CD1 TYR A 647 19.613 3.030 5.973 1.00 0.00 C ATOM 2171 CD2 TYR A 647 17.301 2.292 5.823 1.00 0.00 C ATOM 2172 CE1 TYR A 647 19.602 2.798 7.361 1.00 0.00 C ATOM 2173 CE2 TYR A 647 17.292 2.034 7.204 1.00 0.00 C ATOM 2174 CZ TYR A 647 18.438 2.297 7.985 1.00 0.00 C ATOM 2175 OH TYR A 647 18.423 1.995 9.316 1.00 0.00 O ATOM 0 H TYR A 647 17.764 5.269 4.543 1.00 0.00 H new ATOM 0 HA TYR A 647 20.197 4.264 3.408 1.00 0.00 H new ATOM 0 HB2 TYR A 647 17.423 3.050 3.346 1.00 0.00 H new ATOM 0 HB3 TYR A 647 18.959 2.218 3.203 1.00 0.00 H new ATOM 0 HD1 TYR A 647 20.513 3.391 5.497 1.00 0.00 H new ATOM 0 HD2 TYR A 647 16.414 2.103 5.237 1.00 0.00 H new ATOM 0 HE1 TYR A 647 20.484 3.003 7.949 1.00 0.00 H new ATOM 0 HE2 TYR A 647 16.404 1.633 7.670 1.00 0.00 H new ATOM 0 HH TYR A 647 17.535 1.664 9.566 1.00 0.00 H new ATOM 2185 N LEU A 648 17.766 5.214 1.370 1.00 0.00 N ATOM 2186 CA LEU A 648 17.409 5.447 -0.032 1.00 0.00 C ATOM 2187 C LEU A 648 18.345 6.450 -0.702 1.00 0.00 C ATOM 2188 O LEU A 648 18.768 6.215 -1.836 1.00 0.00 O ATOM 2189 CB LEU A 648 15.961 5.940 -0.194 1.00 0.00 C ATOM 2190 CG LEU A 648 14.863 4.980 0.290 1.00 0.00 C ATOM 2191 CD1 LEU A 648 13.507 5.542 -0.116 1.00 0.00 C ATOM 2192 CD2 LEU A 648 14.949 3.585 -0.325 1.00 0.00 C ATOM 0 H LEU A 648 17.067 5.551 2.032 1.00 0.00 H new ATOM 0 HA LEU A 648 17.509 4.478 -0.521 1.00 0.00 H new ATOM 0 HB2 LEU A 648 15.856 6.881 0.346 1.00 0.00 H new ATOM 0 HB3 LEU A 648 15.788 6.156 -1.248 1.00 0.00 H new ATOM 0 HG LEU A 648 14.994 4.892 1.369 1.00 0.00 H new ATOM 0 HD11 LEU A 648 12.718 4.870 0.222 1.00 0.00 H new ATOM 0 HD12 LEU A 648 13.368 6.522 0.340 1.00 0.00 H new ATOM 0 HD13 LEU A 648 13.463 5.637 -1.201 1.00 0.00 H new ATOM 0 HD21 LEU A 648 14.142 2.965 0.065 1.00 0.00 H new ATOM 0 HD22 LEU A 648 14.859 3.659 -1.409 1.00 0.00 H new ATOM 0 HD23 LEU A 648 15.908 3.134 -0.071 1.00 0.00 H new ATOM 2204 N THR A 649 18.656 7.560 -0.034 1.00 0.00 N ATOM 2205 CA THR A 649 19.581 8.557 -0.557 1.00 0.00 C ATOM 2206 C THR A 649 21.023 8.160 -0.225 1.00 0.00 C ATOM 2207 O THR A 649 21.948 8.608 -0.900 1.00 0.00 O ATOM 2208 CB THR A 649 19.156 9.959 -0.090 1.00 0.00 C ATOM 2209 OG1 THR A 649 19.562 10.971 -1.004 1.00 0.00 O ATOM 2210 CG2 THR A 649 19.665 10.309 1.304 1.00 0.00 C ATOM 0 H THR A 649 18.273 7.791 0.883 1.00 0.00 H new ATOM 0 HA THR A 649 19.544 8.596 -1.646 1.00 0.00 H new ATOM 0 HB THR A 649 18.067 9.924 -0.051 1.00 0.00 H new ATOM 0 HG1 THR A 649 19.272 11.847 -0.673 1.00 0.00 H new ATOM 0 HG21 THR A 649 19.330 11.311 1.573 1.00 0.00 H new ATOM 0 HG22 THR A 649 19.275 9.590 2.025 1.00 0.00 H new ATOM 0 HG23 THR A 649 20.754 10.276 1.312 1.00 0.00 H new