USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=36 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 532 ASN : amide:sc= -0.0411 K(o=-0.041,f=-0.62) USER MOD Set 1.2: A 636 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 624 MET CE :methyl -169:sc= -0.264 (180deg=-0.549) USER MOD Set 2.2: A 644 TYR OH : rot 180:sc= -0.0118 USER MOD Set 3.1: A 550 CYS SG : rot 110:sc= -0.0761 USER MOD Set 3.2: A 612 THR OG1 : rot 159:sc= 1.08 USER MOD Set 4.1: A 536 MET CE :methyl -178:sc= -0.607 (180deg=-0.617) USER MOD Set 4.2: A 547 MET CE :methyl 178:sc= -0.709 (180deg=-0.728) USER MOD Set 4.3: A 606 MET CE :methyl -150:sc= -1.13 (180deg=-0.463) USER MOD Set 5.1: A 539 HIS : no HD1:sc= -1.05 X(o=-0.021,f=-0.074) USER MOD Set 5.2: A 543 THR OG1 : rot -79:sc= 1.03 USER MOD Single : A 528 THR OG1 : rot -133:sc= 0.266 USER MOD Single : A 530 SER OG : rot 180:sc= 0.0128 USER MOD Single : A 545 LYS NZ :NH3+ -132:sc= -0.172 (180deg=-2.05!) USER MOD Single : A 551 MET CE :methyl 177:sc= -0.222 (180deg=-0.246) USER MOD Single : A 557 MET CE :methyl 156:sc= -2.41 (180deg=-3.51!) USER MOD Single : A 559 THR OG1 : rot 78:sc= 0.69 USER MOD Single : A 561 GLN :FLIP amide:sc= -0.644 F(o=-1.1,f=-0.64) USER MOD Single : A 563 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 564 TYR OH : rot 110:sc= -0.254 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= -2.04 F(o=-7!,f=-2) USER MOD Single : A 576 TYR OH : rot 30:sc= 0 USER MOD Single : A 583 TYR OH : rot 15:sc= -0.0098 USER MOD Single : A 584 THR OG1 : rot 30:sc= 0.454 USER MOD Single : A 585 SER OG : rot -140:sc= 0.0213 USER MOD Single : A 586 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 591 SER OG : rot -160:sc= -0.343 USER MOD Single : A 594 THR OG1 : rot 180:sc= 0 USER MOD Single : A 595 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 597 ASN : amide:sc= -2.89! C(o=-2.9!,f=-4.9!) USER MOD Single : A 598 SER OG : rot 180:sc= 0 USER MOD Single : A 600 ASN : amide:sc= 0.254 K(o=0.25,f=-0.61) USER MOD Single : A 605 THR OG1 : rot 118:sc= 1.58 USER MOD Single : A 610 TYR OH : rot 180:sc= 0 USER MOD Single : A 613 HIS : no HE2:sc= -0.482 K(o=-0.48,f=-3.1!) USER MOD Single : A 616 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 623 CYS SG : rot 89:sc= -0.666 USER MOD Single : A 626 SER OG : rot 180:sc= 0 USER MOD Single : A 628 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 634 SER OG : rot -104:sc= 0.126 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 78:sc= 0.308 USER MOD Single : A 645 ASN : amide:sc= 0.672 K(o=0.67,f=0) USER MOD Single : A 647 TYR OH : rot 180:sc= 0 USER MOD Single : A 649 THR OG1 : rot 87:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 214 N GLU A 524 0.134 16.915 -6.180 1.00 0.00 N ATOM 215 CA GLU A 524 0.388 15.539 -5.766 1.00 0.00 C ATOM 216 C GLU A 524 1.608 15.434 -4.851 1.00 0.00 C ATOM 217 O GLU A 524 2.439 16.339 -4.781 1.00 0.00 O ATOM 218 CB GLU A 524 0.555 14.634 -6.993 1.00 0.00 C ATOM 219 CG GLU A 524 1.783 14.946 -7.862 1.00 0.00 C ATOM 220 CD GLU A 524 2.023 13.852 -8.908 1.00 0.00 C ATOM 221 OE1 GLU A 524 1.429 13.894 -10.009 1.00 0.00 O ATOM 222 OE2 GLU A 524 2.806 12.915 -8.606 1.00 0.00 O ATOM 0 HA GLU A 524 -0.477 15.204 -5.194 1.00 0.00 H new ATOM 0 HB2 GLU A 524 0.619 13.599 -6.657 1.00 0.00 H new ATOM 0 HB3 GLU A 524 -0.339 14.714 -7.611 1.00 0.00 H new ATOM 0 HG2 GLU A 524 1.642 15.904 -8.362 1.00 0.00 H new ATOM 0 HG3 GLU A 524 2.664 15.044 -7.227 1.00 0.00 H new ATOM 229 N ILE A 525 1.713 14.314 -4.132 1.00 0.00 N ATOM 230 CA ILE A 525 2.703 14.097 -3.086 1.00 0.00 C ATOM 231 C ILE A 525 3.579 12.923 -3.507 1.00 0.00 C ATOM 232 O ILE A 525 3.114 12.039 -4.232 1.00 0.00 O ATOM 233 CB ILE A 525 2.024 13.857 -1.725 1.00 0.00 C ATOM 234 CG1 ILE A 525 0.676 14.593 -1.587 1.00 0.00 C ATOM 235 CG2 ILE A 525 2.982 14.245 -0.583 1.00 0.00 C ATOM 236 CD1 ILE A 525 0.724 16.123 -1.620 1.00 0.00 C ATOM 0 H ILE A 525 1.094 13.515 -4.268 1.00 0.00 H new ATOM 0 HA ILE A 525 3.325 14.983 -2.960 1.00 0.00 H new ATOM 0 HB ILE A 525 1.797 12.793 -1.661 1.00 0.00 H new ATOM 0 HG12 ILE A 525 0.020 14.255 -2.389 1.00 0.00 H new ATOM 0 HG13 ILE A 525 0.215 14.287 -0.648 1.00 0.00 H new ATOM 0 HG21 ILE A 525 2.494 14.072 0.376 1.00 0.00 H new ATOM 0 HG22 ILE A 525 3.886 13.639 -0.645 1.00 0.00 H new ATOM 0 HG23 ILE A 525 3.245 15.299 -0.671 1.00 0.00 H new ATOM 0 HD11 ILE A 525 -0.285 16.521 -1.514 1.00 0.00 H new ATOM 0 HD12 ILE A 525 1.345 16.485 -0.801 1.00 0.00 H new ATOM 0 HD13 ILE A 525 1.146 16.453 -2.569 1.00 0.00 H new ATOM 248 N LEU A 526 4.835 12.890 -3.074 1.00 0.00 N ATOM 249 CA LEU A 526 5.787 11.868 -3.488 1.00 0.00 C ATOM 250 C LEU A 526 6.791 11.641 -2.354 1.00 0.00 C ATOM 251 O LEU A 526 6.865 12.424 -1.403 1.00 0.00 O ATOM 252 CB LEU A 526 6.448 12.329 -4.799 1.00 0.00 C ATOM 253 CG LEU A 526 6.794 11.285 -5.881 1.00 0.00 C ATOM 254 CD1 LEU A 526 8.012 10.423 -5.550 1.00 0.00 C ATOM 255 CD2 LEU A 526 5.616 10.379 -6.268 1.00 0.00 C ATOM 0 H LEU A 526 5.222 13.574 -2.424 1.00 0.00 H new ATOM 0 HA LEU A 526 5.303 10.911 -3.682 1.00 0.00 H new ATOM 0 HB2 LEU A 526 5.789 13.067 -5.256 1.00 0.00 H new ATOM 0 HB3 LEU A 526 7.371 12.846 -4.536 1.00 0.00 H new ATOM 0 HG LEU A 526 7.046 11.903 -6.743 1.00 0.00 H new ATOM 0 HD11 LEU A 526 8.188 9.715 -6.360 1.00 0.00 H new ATOM 0 HD12 LEU A 526 8.887 11.061 -5.429 1.00 0.00 H new ATOM 0 HD13 LEU A 526 7.830 9.877 -4.624 1.00 0.00 H new ATOM 0 HD21 LEU A 526 5.937 9.672 -7.033 1.00 0.00 H new ATOM 0 HD22 LEU A 526 5.274 9.832 -5.389 1.00 0.00 H new ATOM 0 HD23 LEU A 526 4.800 10.989 -6.657 1.00 0.00 H new ATOM 267 N GLY A 527 7.580 10.578 -2.469 1.00 0.00 N ATOM 268 CA GLY A 527 8.610 10.206 -1.515 1.00 0.00 C ATOM 269 C GLY A 527 8.040 9.457 -0.314 1.00 0.00 C ATOM 270 O GLY A 527 6.909 8.962 -0.364 1.00 0.00 O ATOM 0 H GLY A 527 7.515 9.933 -3.256 1.00 0.00 H new ATOM 0 HA2 GLY A 527 9.354 9.582 -2.011 1.00 0.00 H new ATOM 0 HA3 GLY A 527 9.125 11.103 -1.171 1.00 0.00 H new ATOM 274 N THR A 528 8.845 9.312 0.739 1.00 0.00 N ATOM 275 CA THR A 528 8.399 8.700 1.977 1.00 0.00 C ATOM 276 C THR A 528 7.685 9.776 2.801 1.00 0.00 C ATOM 277 O THR A 528 8.184 10.898 2.912 1.00 0.00 O ATOM 278 CB THR A 528 9.583 8.094 2.747 1.00 0.00 C ATOM 279 OG1 THR A 528 10.457 7.353 1.916 1.00 0.00 O ATOM 280 CG2 THR A 528 9.100 7.141 3.848 1.00 0.00 C ATOM 0 H THR A 528 9.819 9.616 0.752 1.00 0.00 H new ATOM 0 HA THR A 528 7.712 7.880 1.768 1.00 0.00 H new ATOM 0 HB THR A 528 10.115 8.947 3.168 1.00 0.00 H new ATOM 0 HG1 THR A 528 10.656 6.491 2.337 1.00 0.00 H new ATOM 0 HG21 THR A 528 9.960 6.728 4.375 1.00 0.00 H new ATOM 0 HG22 THR A 528 8.471 7.687 4.551 1.00 0.00 H new ATOM 0 HG23 THR A 528 8.525 6.330 3.401 1.00 0.00 H new ATOM 288 N VAL A 529 6.556 9.435 3.413 1.00 0.00 N ATOM 289 CA VAL A 529 5.770 10.304 4.282 1.00 0.00 C ATOM 290 C VAL A 529 5.461 9.573 5.598 1.00 0.00 C ATOM 291 O VAL A 529 5.712 8.373 5.734 1.00 0.00 O ATOM 292 CB VAL A 529 4.500 10.783 3.537 1.00 0.00 C ATOM 293 CG1 VAL A 529 4.817 11.850 2.478 1.00 0.00 C ATOM 294 CG2 VAL A 529 3.743 9.636 2.848 1.00 0.00 C ATOM 0 H VAL A 529 6.146 8.506 3.313 1.00 0.00 H new ATOM 0 HA VAL A 529 6.336 11.199 4.541 1.00 0.00 H new ATOM 0 HB VAL A 529 3.867 11.211 4.315 1.00 0.00 H new ATOM 0 HG11 VAL A 529 3.896 12.155 1.982 1.00 0.00 H new ATOM 0 HG12 VAL A 529 5.274 12.715 2.959 1.00 0.00 H new ATOM 0 HG13 VAL A 529 5.506 11.438 1.741 1.00 0.00 H new ATOM 0 HG21 VAL A 529 2.863 10.033 2.343 1.00 0.00 H new ATOM 0 HG22 VAL A 529 4.395 9.157 2.118 1.00 0.00 H new ATOM 0 HG23 VAL A 529 3.434 8.904 3.594 1.00 0.00 H new ATOM 304 N SER A 530 4.925 10.292 6.584 1.00 0.00 N ATOM 305 CA SER A 530 4.602 9.788 7.919 1.00 0.00 C ATOM 306 C SER A 530 3.122 9.384 8.027 1.00 0.00 C ATOM 307 O SER A 530 2.574 9.296 9.134 1.00 0.00 O ATOM 308 CB SER A 530 5.022 10.825 8.982 1.00 0.00 C ATOM 309 OG SER A 530 5.452 12.067 8.436 1.00 0.00 O ATOM 0 H SER A 530 4.695 11.279 6.471 1.00 0.00 H new ATOM 0 HA SER A 530 5.170 8.876 8.105 1.00 0.00 H new ATOM 0 HB2 SER A 530 4.181 11.005 9.652 1.00 0.00 H new ATOM 0 HB3 SER A 530 5.827 10.406 9.586 1.00 0.00 H new ATOM 0 HG SER A 530 5.701 12.675 9.163 1.00 0.00 H new ATOM 315 N TRP A 531 2.462 9.175 6.886 1.00 0.00 N ATOM 316 CA TRP A 531 1.054 8.833 6.792 1.00 0.00 C ATOM 317 C TRP A 531 0.804 7.464 7.421 1.00 0.00 C ATOM 318 O TRP A 531 1.719 6.667 7.648 1.00 0.00 O ATOM 319 CB TRP A 531 0.596 8.816 5.327 1.00 0.00 C ATOM 320 CG TRP A 531 0.675 10.080 4.543 1.00 0.00 C ATOM 321 CD1 TRP A 531 1.137 11.274 4.970 1.00 0.00 C ATOM 322 CD2 TRP A 531 0.324 10.264 3.144 1.00 0.00 C ATOM 323 NE1 TRP A 531 1.111 12.180 3.931 1.00 0.00 N ATOM 324 CE2 TRP A 531 0.651 11.600 2.773 1.00 0.00 C ATOM 325 CE3 TRP A 531 -0.169 9.409 2.135 1.00 0.00 C ATOM 326 CZ2 TRP A 531 0.521 12.063 1.461 1.00 0.00 C ATOM 327 CZ3 TRP A 531 -0.301 9.869 0.811 1.00 0.00 C ATOM 328 CH2 TRP A 531 0.043 11.191 0.471 1.00 0.00 C ATOM 0 H TRP A 531 2.915 9.243 5.975 1.00 0.00 H new ATOM 0 HA TRP A 531 0.483 9.589 7.330 1.00 0.00 H new ATOM 0 HB2 TRP A 531 1.187 8.064 4.804 1.00 0.00 H new ATOM 0 HB3 TRP A 531 -0.440 8.478 5.307 1.00 0.00 H new ATOM 0 HD1 TRP A 531 1.476 11.487 5.973 1.00 0.00 H new ATOM 0 HE1 TRP A 531 1.397 13.156 4.011 1.00 0.00 H new ATOM 0 HE3 TRP A 531 -0.447 8.395 2.380 1.00 0.00 H new ATOM 0 HZ2 TRP A 531 0.785 13.080 1.212 1.00 0.00 H new ATOM 0 HZ3 TRP A 531 -0.670 9.200 0.048 1.00 0.00 H new ATOM 0 HH2 TRP A 531 -0.061 11.533 -0.548 1.00 0.00 H new ATOM 339 N ASN A 532 -0.470 7.161 7.653 1.00 0.00 N ATOM 340 CA ASN A 532 -0.903 5.894 8.223 1.00 0.00 C ATOM 341 C ASN A 532 -2.084 5.393 7.422 1.00 0.00 C ATOM 342 O ASN A 532 -2.572 6.068 6.519 1.00 0.00 O ATOM 343 CB ASN A 532 -1.235 6.050 9.712 1.00 0.00 C ATOM 344 CG ASN A 532 0.032 6.378 10.476 1.00 0.00 C ATOM 345 OD1 ASN A 532 0.786 5.483 10.838 1.00 0.00 O ATOM 346 ND2 ASN A 532 0.308 7.663 10.628 1.00 0.00 N ATOM 0 H ASN A 532 -1.239 7.799 7.447 1.00 0.00 H new ATOM 0 HA ASN A 532 -0.100 5.159 8.166 1.00 0.00 H new ATOM 0 HB2 ASN A 532 -1.972 6.841 9.851 1.00 0.00 H new ATOM 0 HB3 ASN A 532 -1.677 5.131 10.096 1.00 0.00 H new ATOM 0 HD21 ASN A 532 1.185 7.948 11.065 1.00 0.00 H new ATOM 0 HD22 ASN A 532 -0.356 8.368 10.308 1.00 0.00 H new ATOM 353 N LEU A 533 -2.557 4.200 7.758 1.00 0.00 N ATOM 354 CA LEU A 533 -3.485 3.415 6.954 1.00 0.00 C ATOM 355 C LEU A 533 -4.723 4.229 6.534 1.00 0.00 C ATOM 356 O LEU A 533 -5.176 4.095 5.401 1.00 0.00 O ATOM 357 CB LEU A 533 -3.847 2.172 7.800 1.00 0.00 C ATOM 358 CG LEU A 533 -4.044 0.808 7.119 1.00 0.00 C ATOM 359 CD1 LEU A 533 -5.431 0.585 6.530 1.00 0.00 C ATOM 360 CD2 LEU A 533 -2.980 0.515 6.064 1.00 0.00 C ATOM 0 H LEU A 533 -2.296 3.736 8.628 1.00 0.00 H new ATOM 0 HA LEU A 533 -3.027 3.114 6.012 1.00 0.00 H new ATOM 0 HB2 LEU A 533 -3.064 2.050 8.548 1.00 0.00 H new ATOM 0 HB3 LEU A 533 -4.768 2.402 8.336 1.00 0.00 H new ATOM 0 HG LEU A 533 -3.934 0.099 7.939 1.00 0.00 H new ATOM 0 HD11 LEU A 533 -5.477 -0.403 6.071 1.00 0.00 H new ATOM 0 HD12 LEU A 533 -6.178 0.652 7.321 1.00 0.00 H new ATOM 0 HD13 LEU A 533 -5.632 1.345 5.776 1.00 0.00 H new ATOM 0 HD21 LEU A 533 -3.170 -0.461 5.617 1.00 0.00 H new ATOM 0 HD22 LEU A 533 -3.014 1.282 5.290 1.00 0.00 H new ATOM 0 HD23 LEU A 533 -1.995 0.515 6.531 1.00 0.00 H new ATOM 372 N ARG A 534 -5.237 5.103 7.416 1.00 0.00 N ATOM 373 CA ARG A 534 -6.374 5.986 7.127 1.00 0.00 C ATOM 374 C ARG A 534 -6.049 7.045 6.068 1.00 0.00 C ATOM 375 O ARG A 534 -6.823 7.202 5.126 1.00 0.00 O ATOM 376 CB ARG A 534 -6.901 6.670 8.398 1.00 0.00 C ATOM 377 CG ARG A 534 -7.616 5.681 9.337 1.00 0.00 C ATOM 378 CD ARG A 534 -6.969 5.637 10.722 1.00 0.00 C ATOM 379 NE ARG A 534 -7.193 6.894 11.455 1.00 0.00 N ATOM 380 CZ ARG A 534 -6.646 7.269 12.617 1.00 0.00 C ATOM 381 NH1 ARG A 534 -5.821 6.468 13.281 1.00 0.00 N ATOM 382 NH2 ARG A 534 -6.935 8.464 13.114 1.00 0.00 N ATOM 0 H ARG A 534 -4.868 5.216 8.360 1.00 0.00 H new ATOM 0 HA ARG A 534 -7.153 5.339 6.724 1.00 0.00 H new ATOM 0 HB2 ARG A 534 -6.071 7.136 8.928 1.00 0.00 H new ATOM 0 HB3 ARG A 534 -7.590 7.468 8.120 1.00 0.00 H new ATOM 0 HG2 ARG A 534 -8.663 5.967 9.435 1.00 0.00 H new ATOM 0 HG3 ARG A 534 -7.597 4.684 8.896 1.00 0.00 H new ATOM 0 HD2 ARG A 534 -7.379 4.803 11.291 1.00 0.00 H new ATOM 0 HD3 ARG A 534 -5.899 5.458 10.621 1.00 0.00 H new ATOM 0 HE ARG A 534 -7.840 7.556 11.027 1.00 0.00 H new ATOM 0 HH11 ARG A 534 -5.593 5.547 12.907 1.00 0.00 H new ATOM 0 HH12 ARG A 534 -5.415 6.774 14.165 1.00 0.00 H new ATOM 0 HH21 ARG A 534 -7.568 9.086 12.611 1.00 0.00 H new ATOM 0 HH22 ARG A 534 -6.524 8.761 13.999 1.00 0.00 H new ATOM 396 N GLU A 535 -4.932 7.761 6.226 1.00 0.00 N ATOM 397 CA GLU A 535 -4.451 8.770 5.274 1.00 0.00 C ATOM 398 C GLU A 535 -4.314 8.140 3.888 1.00 0.00 C ATOM 399 O GLU A 535 -4.711 8.699 2.870 1.00 0.00 O ATOM 400 CB GLU A 535 -3.073 9.288 5.693 1.00 0.00 C ATOM 401 CG GLU A 535 -3.122 10.270 6.858 1.00 0.00 C ATOM 402 CD GLU A 535 -2.812 11.697 6.400 1.00 0.00 C ATOM 403 OE1 GLU A 535 -3.753 12.421 5.998 1.00 0.00 O ATOM 404 OE2 GLU A 535 -1.637 12.114 6.456 1.00 0.00 O ATOM 0 H GLU A 535 -4.323 7.654 7.037 1.00 0.00 H new ATOM 0 HA GLU A 535 -5.167 9.592 5.257 1.00 0.00 H new ATOM 0 HB2 GLU A 535 -2.443 8.442 5.968 1.00 0.00 H new ATOM 0 HB3 GLU A 535 -2.601 9.773 4.839 1.00 0.00 H new ATOM 0 HG2 GLU A 535 -4.109 10.241 7.319 1.00 0.00 H new ATOM 0 HG3 GLU A 535 -2.405 9.967 7.621 1.00 0.00 H new ATOM 411 N MET A 536 -3.701 6.960 3.872 1.00 0.00 N ATOM 412 CA MET A 536 -3.275 6.253 2.685 1.00 0.00 C ATOM 413 C MET A 536 -4.484 5.845 1.840 1.00 0.00 C ATOM 414 O MET A 536 -4.518 6.193 0.663 1.00 0.00 O ATOM 415 CB MET A 536 -2.412 5.077 3.135 1.00 0.00 C ATOM 416 CG MET A 536 -1.141 5.551 3.862 1.00 0.00 C ATOM 417 SD MET A 536 0.278 5.866 2.802 1.00 0.00 S ATOM 418 CE MET A 536 0.670 4.157 2.438 1.00 0.00 C ATOM 0 H MET A 536 -3.481 6.454 4.730 1.00 0.00 H new ATOM 0 HA MET A 536 -2.674 6.887 2.033 1.00 0.00 H new ATOM 0 HB2 MET A 536 -2.991 4.432 3.796 1.00 0.00 H new ATOM 0 HB3 MET A 536 -2.134 4.477 2.269 1.00 0.00 H new ATOM 0 HG2 MET A 536 -1.375 6.464 4.410 1.00 0.00 H new ATOM 0 HG3 MET A 536 -0.863 4.799 4.600 1.00 0.00 H new ATOM 0 HE1 MET A 536 1.559 4.114 1.809 1.00 0.00 H new ATOM 0 HE2 MET A 536 0.857 3.620 3.368 1.00 0.00 H new ATOM 0 HE3 MET A 536 -0.167 3.695 1.915 1.00 0.00 H new ATOM 428 N LEU A 537 -5.494 5.185 2.426 1.00 0.00 N ATOM 429 CA LEU A 537 -6.831 5.012 1.908 1.00 0.00 C ATOM 430 C LEU A 537 -7.420 6.273 1.286 1.00 0.00 C ATOM 431 O LEU A 537 -7.935 6.225 0.168 1.00 0.00 O ATOM 432 CB LEU A 537 -7.687 4.611 3.117 1.00 0.00 C ATOM 433 CG LEU A 537 -8.049 3.141 3.119 1.00 0.00 C ATOM 434 CD1 LEU A 537 -6.953 2.088 3.124 1.00 0.00 C ATOM 435 CD2 LEU A 537 -8.981 2.888 4.302 1.00 0.00 C ATOM 0 H LEU A 537 -5.376 4.734 3.333 1.00 0.00 H new ATOM 0 HA LEU A 537 -6.811 4.270 1.109 1.00 0.00 H new ATOM 0 HB2 LEU A 537 -7.147 4.849 4.033 1.00 0.00 H new ATOM 0 HB3 LEU A 537 -8.601 5.205 3.122 1.00 0.00 H new ATOM 0 HG LEU A 537 -8.493 2.998 2.134 1.00 0.00 H new ATOM 0 HD11 LEU A 537 -7.402 1.095 3.125 1.00 0.00 H new ATOM 0 HD12 LEU A 537 -6.332 2.205 2.236 1.00 0.00 H new ATOM 0 HD13 LEU A 537 -6.337 2.208 4.015 1.00 0.00 H new ATOM 0 HD21 LEU A 537 -9.258 1.834 4.328 1.00 0.00 H new ATOM 0 HD22 LEU A 537 -8.472 3.152 5.229 1.00 0.00 H new ATOM 0 HD23 LEU A 537 -9.879 3.497 4.195 1.00 0.00 H new ATOM 447 N ALA A 538 -7.418 7.375 2.041 1.00 0.00 N ATOM 448 CA ALA A 538 -8.025 8.621 1.606 1.00 0.00 C ATOM 449 C ALA A 538 -7.339 9.074 0.313 1.00 0.00 C ATOM 450 O ALA A 538 -8.001 9.249 -0.714 1.00 0.00 O ATOM 451 CB ALA A 538 -7.973 9.650 2.743 1.00 0.00 C ATOM 0 H ALA A 538 -6.995 7.421 2.968 1.00 0.00 H new ATOM 0 HA ALA A 538 -9.083 8.493 1.375 1.00 0.00 H new ATOM 0 HB1 ALA A 538 -8.430 10.582 2.411 1.00 0.00 H new ATOM 0 HB2 ALA A 538 -8.517 9.266 3.606 1.00 0.00 H new ATOM 0 HB3 ALA A 538 -6.935 9.833 3.021 1.00 0.00 H new ATOM 457 N HIS A 539 -6.006 9.147 0.341 1.00 0.00 N ATOM 458 CA HIS A 539 -5.168 9.529 -0.787 1.00 0.00 C ATOM 459 C HIS A 539 -5.382 8.616 -1.992 1.00 0.00 C ATOM 460 O HIS A 539 -5.669 9.107 -3.079 1.00 0.00 O ATOM 461 CB HIS A 539 -3.694 9.573 -0.351 1.00 0.00 C ATOM 462 CG HIS A 539 -2.857 10.351 -1.331 1.00 0.00 C ATOM 463 ND1 HIS A 539 -2.937 11.720 -1.497 1.00 0.00 N ATOM 464 CD2 HIS A 539 -1.953 9.853 -2.232 1.00 0.00 C ATOM 465 CE1 HIS A 539 -2.122 12.058 -2.503 1.00 0.00 C ATOM 466 NE2 HIS A 539 -1.511 10.947 -2.960 1.00 0.00 N ATOM 0 H HIS A 539 -5.467 8.934 1.180 1.00 0.00 H new ATOM 0 HA HIS A 539 -5.460 10.528 -1.110 1.00 0.00 H new ATOM 0 HB2 HIS A 539 -3.618 10.028 0.637 1.00 0.00 H new ATOM 0 HB3 HIS A 539 -3.307 8.557 -0.265 1.00 0.00 H new ATOM 0 HD2 HIS A 539 -1.648 8.824 -2.350 1.00 0.00 H new ATOM 0 HE1 HIS A 539 -1.977 13.057 -2.886 1.00 0.00 H new ATOM 0 HE2 HIS A 539 -0.832 10.916 -3.720 1.00 0.00 H new ATOM 475 N ALA A 540 -5.223 7.302 -1.828 1.00 0.00 N ATOM 476 CA ALA A 540 -5.381 6.284 -2.868 1.00 0.00 C ATOM 477 C ALA A 540 -6.703 6.407 -3.630 1.00 0.00 C ATOM 478 O ALA A 540 -6.730 6.138 -4.830 1.00 0.00 O ATOM 479 CB ALA A 540 -5.304 4.894 -2.229 1.00 0.00 C ATOM 0 H ALA A 540 -4.969 6.900 -0.926 1.00 0.00 H new ATOM 0 HA ALA A 540 -4.576 6.434 -3.587 1.00 0.00 H new ATOM 0 HB1 ALA A 540 -5.421 4.132 -3.000 1.00 0.00 H new ATOM 0 HB2 ALA A 540 -4.337 4.771 -1.741 1.00 0.00 H new ATOM 0 HB3 ALA A 540 -6.099 4.788 -1.491 1.00 0.00 H new ATOM 485 N GLU A 541 -7.799 6.777 -2.967 1.00 0.00 N ATOM 486 CA GLU A 541 -9.063 7.063 -3.632 1.00 0.00 C ATOM 487 C GLU A 541 -8.982 8.415 -4.344 1.00 0.00 C ATOM 488 O GLU A 541 -9.254 8.483 -5.537 1.00 0.00 O ATOM 489 CB GLU A 541 -10.200 7.029 -2.605 1.00 0.00 C ATOM 490 CG GLU A 541 -10.929 5.678 -2.600 1.00 0.00 C ATOM 491 CD GLU A 541 -12.241 5.727 -3.383 1.00 0.00 C ATOM 492 OE1 GLU A 541 -12.225 5.691 -4.635 1.00 0.00 O ATOM 493 OE2 GLU A 541 -13.306 5.836 -2.729 1.00 0.00 O ATOM 0 H GLU A 541 -7.832 6.886 -1.953 1.00 0.00 H new ATOM 0 HA GLU A 541 -9.267 6.304 -4.387 1.00 0.00 H new ATOM 0 HB2 GLU A 541 -9.798 7.228 -1.612 1.00 0.00 H new ATOM 0 HB3 GLU A 541 -10.912 7.824 -2.825 1.00 0.00 H new ATOM 0 HG2 GLU A 541 -10.280 4.915 -3.030 1.00 0.00 H new ATOM 0 HG3 GLU A 541 -11.133 5.381 -1.571 1.00 0.00 H new ATOM 500 N GLU A 542 -8.573 9.472 -3.637 1.00 0.00 N ATOM 501 CA GLU A 542 -8.554 10.868 -4.101 1.00 0.00 C ATOM 502 C GLU A 542 -7.726 11.071 -5.374 1.00 0.00 C ATOM 503 O GLU A 542 -8.029 11.957 -6.175 1.00 0.00 O ATOM 504 CB GLU A 542 -8.010 11.724 -2.946 1.00 0.00 C ATOM 505 CG GLU A 542 -7.981 13.240 -3.190 1.00 0.00 C ATOM 506 CD GLU A 542 -7.867 13.996 -1.861 1.00 0.00 C ATOM 507 OE1 GLU A 542 -6.898 13.775 -1.095 1.00 0.00 O ATOM 508 OE2 GLU A 542 -8.814 14.724 -1.475 1.00 0.00 O ATOM 0 H GLU A 542 -8.230 9.377 -2.681 1.00 0.00 H new ATOM 0 HA GLU A 542 -9.567 11.166 -4.372 1.00 0.00 H new ATOM 0 HB2 GLU A 542 -8.614 11.530 -2.060 1.00 0.00 H new ATOM 0 HB3 GLU A 542 -6.997 11.393 -2.720 1.00 0.00 H new ATOM 0 HG2 GLU A 542 -7.139 13.495 -3.833 1.00 0.00 H new ATOM 0 HG3 GLU A 542 -8.886 13.547 -3.713 1.00 0.00 H new ATOM 515 N THR A 543 -6.707 10.232 -5.560 1.00 0.00 N ATOM 516 CA THR A 543 -5.736 10.300 -6.647 1.00 0.00 C ATOM 517 C THR A 543 -5.829 9.094 -7.592 1.00 0.00 C ATOM 518 O THR A 543 -5.116 9.023 -8.597 1.00 0.00 O ATOM 519 CB THR A 543 -4.331 10.392 -6.037 1.00 0.00 C ATOM 520 OG1 THR A 543 -4.089 9.324 -5.135 1.00 0.00 O ATOM 521 CG2 THR A 543 -4.123 11.693 -5.267 1.00 0.00 C ATOM 0 H THR A 543 -6.530 9.452 -4.927 1.00 0.00 H new ATOM 0 HA THR A 543 -5.953 11.182 -7.249 1.00 0.00 H new ATOM 0 HB THR A 543 -3.641 10.347 -6.879 1.00 0.00 H new ATOM 0 HG1 THR A 543 -4.524 9.515 -4.278 1.00 0.00 H new ATOM 0 HG21 THR A 543 -3.115 11.714 -4.853 1.00 0.00 H new ATOM 0 HG22 THR A 543 -4.256 12.540 -5.940 1.00 0.00 H new ATOM 0 HG23 THR A 543 -4.849 11.756 -4.457 1.00 0.00 H new ATOM 529 N ARG A 544 -6.685 8.117 -7.256 1.00 0.00 N ATOM 530 CA ARG A 544 -6.793 6.815 -7.912 1.00 0.00 C ATOM 531 C ARG A 544 -5.403 6.240 -8.177 1.00 0.00 C ATOM 532 O ARG A 544 -5.031 5.975 -9.321 1.00 0.00 O ATOM 533 CB ARG A 544 -7.705 6.930 -9.148 1.00 0.00 C ATOM 534 CG ARG A 544 -9.109 7.417 -8.769 1.00 0.00 C ATOM 535 CD ARG A 544 -9.972 6.355 -8.078 1.00 0.00 C ATOM 536 NE ARG A 544 -10.903 5.744 -9.039 1.00 0.00 N ATOM 537 CZ ARG A 544 -12.096 6.245 -9.380 1.00 0.00 C ATOM 538 NH1 ARG A 544 -12.602 7.280 -8.727 1.00 0.00 N ATOM 539 NH2 ARG A 544 -12.765 5.730 -10.403 1.00 0.00 N ATOM 0 H ARG A 544 -7.347 8.222 -6.487 1.00 0.00 H new ATOM 0 HA ARG A 544 -7.277 6.087 -7.261 1.00 0.00 H new ATOM 0 HB2 ARG A 544 -7.261 7.620 -9.866 1.00 0.00 H new ATOM 0 HB3 ARG A 544 -7.776 5.960 -9.640 1.00 0.00 H new ATOM 0 HG2 ARG A 544 -9.017 8.281 -8.110 1.00 0.00 H new ATOM 0 HG3 ARG A 544 -9.620 7.756 -9.670 1.00 0.00 H new ATOM 0 HD2 ARG A 544 -9.334 5.587 -7.642 1.00 0.00 H new ATOM 0 HD3 ARG A 544 -10.531 6.808 -7.259 1.00 0.00 H new ATOM 0 HE ARG A 544 -10.617 4.870 -9.480 1.00 0.00 H new ATOM 0 HH11 ARG A 544 -12.082 7.702 -7.958 1.00 0.00 H new ATOM 0 HH12 ARG A 544 -13.512 7.656 -8.993 1.00 0.00 H new ATOM 0 HH21 ARG A 544 -12.370 4.951 -10.930 1.00 0.00 H new ATOM 0 HH22 ARG A 544 -13.674 6.113 -10.662 1.00 0.00 H new ATOM 553 N LYS A 545 -4.600 6.113 -7.119 1.00 0.00 N ATOM 554 CA LYS A 545 -3.271 5.505 -7.161 1.00 0.00 C ATOM 555 C LYS A 545 -3.396 4.147 -6.489 1.00 0.00 C ATOM 556 O LYS A 545 -3.822 4.084 -5.336 1.00 0.00 O ATOM 557 CB LYS A 545 -2.233 6.421 -6.488 1.00 0.00 C ATOM 558 CG LYS A 545 -1.950 7.666 -7.355 1.00 0.00 C ATOM 559 CD LYS A 545 -1.267 8.807 -6.589 1.00 0.00 C ATOM 560 CE LYS A 545 0.216 8.616 -6.300 1.00 0.00 C ATOM 561 NZ LYS A 545 1.067 9.050 -7.423 1.00 0.00 N ATOM 0 H LYS A 545 -4.863 6.438 -6.188 1.00 0.00 H new ATOM 0 HA LYS A 545 -2.915 5.373 -8.183 1.00 0.00 H new ATOM 0 HB2 LYS A 545 -2.597 6.731 -5.508 1.00 0.00 H new ATOM 0 HB3 LYS A 545 -1.307 5.869 -6.324 1.00 0.00 H new ATOM 0 HG2 LYS A 545 -1.320 7.377 -8.196 1.00 0.00 H new ATOM 0 HG3 LYS A 545 -2.890 8.030 -7.770 1.00 0.00 H new ATOM 0 HD2 LYS A 545 -1.391 9.728 -7.159 1.00 0.00 H new ATOM 0 HD3 LYS A 545 -1.788 8.946 -5.642 1.00 0.00 H new ATOM 0 HE2 LYS A 545 0.485 9.178 -5.406 1.00 0.00 H new ATOM 0 HE3 LYS A 545 0.409 7.565 -6.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 545 1.771 8.313 -7.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 545 0.477 9.211 -8.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 545 1.555 9.933 -7.168 1.00 0.00 H new ATOM 575 N LEU A 546 -3.058 3.078 -7.219 1.00 0.00 N ATOM 576 CA LEU A 546 -3.154 1.690 -6.768 1.00 0.00 C ATOM 577 C LEU A 546 -2.497 1.535 -5.395 1.00 0.00 C ATOM 578 O LEU A 546 -1.421 2.093 -5.147 1.00 0.00 O ATOM 579 CB LEU A 546 -2.442 0.785 -7.794 1.00 0.00 C ATOM 580 CG LEU A 546 -2.516 -0.733 -7.536 1.00 0.00 C ATOM 581 CD1 LEU A 546 -3.881 -1.272 -7.974 1.00 0.00 C ATOM 582 CD2 LEU A 546 -1.401 -1.446 -8.312 1.00 0.00 C ATOM 0 H LEU A 546 -2.699 3.161 -8.170 1.00 0.00 H new ATOM 0 HA LEU A 546 -4.203 1.404 -6.684 1.00 0.00 H new ATOM 0 HB2 LEU A 546 -2.865 0.985 -8.778 1.00 0.00 H new ATOM 0 HB3 LEU A 546 -1.392 1.074 -7.834 1.00 0.00 H new ATOM 0 HG LEU A 546 -2.387 -0.920 -6.470 1.00 0.00 H new ATOM 0 HD11 LEU A 546 -3.925 -2.345 -7.788 1.00 0.00 H new ATOM 0 HD12 LEU A 546 -4.668 -0.773 -7.408 1.00 0.00 H new ATOM 0 HD13 LEU A 546 -4.023 -1.082 -9.038 1.00 0.00 H new ATOM 0 HD21 LEU A 546 -1.457 -2.519 -8.127 1.00 0.00 H new ATOM 0 HD22 LEU A 546 -1.521 -1.255 -9.378 1.00 0.00 H new ATOM 0 HD23 LEU A 546 -0.432 -1.071 -7.983 1.00 0.00 H new ATOM 594 N MET A 547 -3.103 0.714 -4.539 1.00 0.00 N ATOM 595 CA MET A 547 -2.630 0.445 -3.191 1.00 0.00 C ATOM 596 C MET A 547 -2.237 -1.036 -3.068 1.00 0.00 C ATOM 597 O MET A 547 -3.073 -1.871 -2.728 1.00 0.00 O ATOM 598 CB MET A 547 -3.707 0.902 -2.196 1.00 0.00 C ATOM 599 CG MET A 547 -3.167 1.000 -0.769 1.00 0.00 C ATOM 600 SD MET A 547 -4.164 2.055 0.318 1.00 0.00 S ATOM 601 CE MET A 547 -3.145 1.993 1.805 1.00 0.00 C ATOM 0 H MET A 547 -3.957 0.207 -4.774 1.00 0.00 H new ATOM 0 HA MET A 547 -1.727 1.008 -2.957 1.00 0.00 H new ATOM 0 HB2 MET A 547 -4.096 1.873 -2.504 1.00 0.00 H new ATOM 0 HB3 MET A 547 -4.542 0.202 -2.220 1.00 0.00 H new ATOM 0 HG2 MET A 547 -3.114 -0.001 -0.341 1.00 0.00 H new ATOM 0 HG3 MET A 547 -2.148 1.387 -0.801 1.00 0.00 H new ATOM 0 HE1 MET A 547 -3.590 2.621 2.577 1.00 0.00 H new ATOM 0 HE2 MET A 547 -3.085 0.965 2.163 1.00 0.00 H new ATOM 0 HE3 MET A 547 -2.143 2.356 1.575 1.00 0.00 H new ATOM 611 N PRO A 548 -0.993 -1.425 -3.383 1.00 0.00 N ATOM 612 CA PRO A 548 -0.540 -2.790 -3.141 1.00 0.00 C ATOM 613 C PRO A 548 -0.545 -3.111 -1.638 1.00 0.00 C ATOM 614 O PRO A 548 -0.054 -2.296 -0.848 1.00 0.00 O ATOM 615 CB PRO A 548 0.854 -2.888 -3.757 1.00 0.00 C ATOM 616 CG PRO A 548 1.219 -1.498 -4.278 1.00 0.00 C ATOM 617 CD PRO A 548 0.055 -0.585 -3.927 1.00 0.00 C ATOM 0 HA PRO A 548 -1.205 -3.525 -3.594 1.00 0.00 H new ATOM 0 HB2 PRO A 548 1.579 -3.223 -3.015 1.00 0.00 H new ATOM 0 HB3 PRO A 548 0.866 -3.617 -4.567 1.00 0.00 H new ATOM 0 HG2 PRO A 548 2.142 -1.143 -3.820 1.00 0.00 H new ATOM 0 HG3 PRO A 548 1.384 -1.519 -5.355 1.00 0.00 H new ATOM 0 HD2 PRO A 548 0.361 0.168 -3.201 1.00 0.00 H new ATOM 0 HD3 PRO A 548 -0.297 -0.052 -4.810 1.00 0.00 H new ATOM 625 N ILE A 549 -1.079 -4.277 -1.249 1.00 0.00 N ATOM 626 CA ILE A 549 -1.270 -4.722 0.135 1.00 0.00 C ATOM 627 C ILE A 549 -0.961 -6.222 0.217 1.00 0.00 C ATOM 628 O ILE A 549 -1.354 -6.975 -0.670 1.00 0.00 O ATOM 629 CB ILE A 549 -2.732 -4.455 0.559 1.00 0.00 C ATOM 630 CG1 ILE A 549 -3.109 -2.964 0.647 1.00 0.00 C ATOM 631 CG2 ILE A 549 -3.103 -5.162 1.869 1.00 0.00 C ATOM 632 CD1 ILE A 549 -2.404 -2.132 1.718 1.00 0.00 C ATOM 0 H ILE A 549 -1.405 -4.968 -1.925 1.00 0.00 H new ATOM 0 HA ILE A 549 -0.603 -4.177 0.804 1.00 0.00 H new ATOM 0 HB ILE A 549 -3.319 -4.882 -0.254 1.00 0.00 H new ATOM 0 HG12 ILE A 549 -2.911 -2.507 -0.322 1.00 0.00 H new ATOM 0 HG13 ILE A 549 -4.183 -2.896 0.818 1.00 0.00 H new ATOM 0 HG21 ILE A 549 -4.140 -4.941 2.121 1.00 0.00 H new ATOM 0 HG22 ILE A 549 -2.980 -6.238 1.749 1.00 0.00 H new ATOM 0 HG23 ILE A 549 -2.452 -4.810 2.669 1.00 0.00 H new ATOM 0 HD11 ILE A 549 -2.760 -1.103 1.672 1.00 0.00 H new ATOM 0 HD12 ILE A 549 -2.621 -2.547 2.702 1.00 0.00 H new ATOM 0 HD13 ILE A 549 -1.328 -2.152 1.545 1.00 0.00 H new ATOM 644 N CYS A 550 -0.298 -6.663 1.291 1.00 0.00 N ATOM 645 CA CYS A 550 0.096 -8.054 1.461 1.00 0.00 C ATOM 646 C CYS A 550 -0.974 -8.847 2.221 1.00 0.00 C ATOM 647 O CYS A 550 -1.358 -8.469 3.331 1.00 0.00 O ATOM 648 CB CYS A 550 1.444 -8.090 2.195 1.00 0.00 C ATOM 649 SG CYS A 550 2.116 -9.768 2.151 1.00 0.00 S ATOM 0 H CYS A 550 -0.022 -6.059 2.065 1.00 0.00 H new ATOM 0 HA CYS A 550 0.199 -8.527 0.484 1.00 0.00 H new ATOM 0 HB2 CYS A 550 2.142 -7.396 1.728 1.00 0.00 H new ATOM 0 HB3 CYS A 550 1.316 -7.766 3.228 1.00 0.00 H new ATOM 0 HG CYS A 550 3.154 -9.799 1.369 1.00 0.00 H new ATOM 655 N MET A 551 -1.399 -9.995 1.683 1.00 0.00 N ATOM 656 CA MET A 551 -2.403 -10.875 2.294 1.00 0.00 C ATOM 657 C MET A 551 -1.859 -11.773 3.416 1.00 0.00 C ATOM 658 O MET A 551 -2.566 -12.678 3.872 1.00 0.00 O ATOM 659 CB MET A 551 -3.111 -11.720 1.235 1.00 0.00 C ATOM 660 CG MET A 551 -2.278 -12.892 0.697 1.00 0.00 C ATOM 661 SD MET A 551 -3.195 -14.075 -0.337 1.00 0.00 S ATOM 662 CE MET A 551 -4.259 -12.989 -1.335 1.00 0.00 C ATOM 0 H MET A 551 -1.048 -10.346 0.792 1.00 0.00 H new ATOM 0 HA MET A 551 -3.120 -10.204 2.767 1.00 0.00 H new ATOM 0 HB2 MET A 551 -4.036 -12.112 1.659 1.00 0.00 H new ATOM 0 HB3 MET A 551 -3.391 -11.076 0.401 1.00 0.00 H new ATOM 0 HG2 MET A 551 -1.448 -12.491 0.115 1.00 0.00 H new ATOM 0 HG3 MET A 551 -1.846 -13.429 1.541 1.00 0.00 H new ATOM 0 HE1 MET A 551 -4.829 -13.590 -2.044 1.00 0.00 H new ATOM 0 HE2 MET A 551 -4.945 -12.451 -0.681 1.00 0.00 H new ATOM 0 HE3 MET A 551 -3.641 -12.275 -1.879 1.00 0.00 H new ATOM 672 N ASP A 552 -0.618 -11.552 3.841 1.00 0.00 N ATOM 673 CA ASP A 552 -0.029 -12.205 5.009 1.00 0.00 C ATOM 674 C ASP A 552 -0.113 -11.347 6.285 1.00 0.00 C ATOM 675 O ASP A 552 -0.212 -11.901 7.379 1.00 0.00 O ATOM 676 CB ASP A 552 1.416 -12.591 4.672 1.00 0.00 C ATOM 677 CG ASP A 552 2.289 -12.925 5.881 1.00 0.00 C ATOM 678 OD1 ASP A 552 2.708 -12.008 6.620 1.00 0.00 O ATOM 679 OD2 ASP A 552 2.630 -14.119 6.046 1.00 0.00 O ATOM 0 H ASP A 552 0.018 -10.904 3.377 1.00 0.00 H new ATOM 0 HA ASP A 552 -0.607 -13.101 5.235 1.00 0.00 H new ATOM 0 HB2 ASP A 552 1.401 -13.452 4.004 1.00 0.00 H new ATOM 0 HB3 ASP A 552 1.878 -11.770 4.124 1.00 0.00 H new ATOM 684 N VAL A 553 -0.107 -10.013 6.179 1.00 0.00 N ATOM 685 CA VAL A 553 -0.100 -9.113 7.337 1.00 0.00 C ATOM 686 C VAL A 553 -1.546 -8.858 7.747 1.00 0.00 C ATOM 687 O VAL A 553 -2.244 -8.029 7.156 1.00 0.00 O ATOM 688 CB VAL A 553 0.621 -7.789 7.016 1.00 0.00 C ATOM 689 CG1 VAL A 553 0.816 -6.956 8.295 1.00 0.00 C ATOM 690 CG2 VAL A 553 1.983 -7.961 6.341 1.00 0.00 C ATOM 0 H VAL A 553 -0.107 -9.526 5.283 1.00 0.00 H new ATOM 0 HA VAL A 553 0.447 -9.578 8.158 1.00 0.00 H new ATOM 0 HB VAL A 553 -0.031 -7.279 6.306 1.00 0.00 H new ATOM 0 HG11 VAL A 553 1.327 -6.025 8.049 1.00 0.00 H new ATOM 0 HG12 VAL A 553 -0.156 -6.731 8.735 1.00 0.00 H new ATOM 0 HG13 VAL A 553 1.416 -7.521 9.009 1.00 0.00 H new ATOM 0 HG21 VAL A 553 2.421 -6.981 6.150 1.00 0.00 H new ATOM 0 HG22 VAL A 553 2.643 -8.533 6.994 1.00 0.00 H new ATOM 0 HG23 VAL A 553 1.857 -8.492 5.397 1.00 0.00 H new ATOM 700 N ARG A 554 -2.053 -9.614 8.708 1.00 0.00 N ATOM 701 CA ARG A 554 -3.466 -9.614 9.058 1.00 0.00 C ATOM 702 C ARG A 554 -3.881 -8.305 9.734 1.00 0.00 C ATOM 703 O ARG A 554 -5.056 -7.953 9.675 1.00 0.00 O ATOM 704 CB ARG A 554 -3.732 -10.810 9.986 1.00 0.00 C ATOM 705 CG ARG A 554 -3.289 -12.190 9.467 1.00 0.00 C ATOM 706 CD ARG A 554 -4.194 -12.692 8.339 1.00 0.00 C ATOM 707 NE ARG A 554 -5.423 -13.326 8.847 1.00 0.00 N ATOM 708 CZ ARG A 554 -6.297 -14.005 8.098 1.00 0.00 C ATOM 709 NH1 ARG A 554 -6.321 -13.829 6.777 1.00 0.00 N ATOM 710 NH2 ARG A 554 -7.140 -14.858 8.678 1.00 0.00 N ATOM 0 H ARG A 554 -1.491 -10.251 9.273 1.00 0.00 H new ATOM 0 HA ARG A 554 -4.061 -9.701 8.149 1.00 0.00 H new ATOM 0 HB2 ARG A 554 -3.229 -10.624 10.935 1.00 0.00 H new ATOM 0 HB3 ARG A 554 -4.801 -10.850 10.194 1.00 0.00 H new ATOM 0 HG2 ARG A 554 -2.261 -12.131 9.109 1.00 0.00 H new ATOM 0 HG3 ARG A 554 -3.300 -12.907 10.288 1.00 0.00 H new ATOM 0 HD2 ARG A 554 -4.460 -11.857 7.691 1.00 0.00 H new ATOM 0 HD3 ARG A 554 -3.645 -13.408 7.727 1.00 0.00 H new ATOM 0 HE ARG A 554 -5.621 -13.240 9.844 1.00 0.00 H new ATOM 0 HH11 ARG A 554 -5.672 -13.176 6.338 1.00 0.00 H new ATOM 0 HH12 ARG A 554 -6.988 -14.347 6.205 1.00 0.00 H new ATOM 0 HH21 ARG A 554 -7.116 -14.990 9.689 1.00 0.00 H new ATOM 0 HH22 ARG A 554 -7.809 -15.379 8.111 1.00 0.00 H new ATOM 724 N ALA A 555 -2.964 -7.549 10.348 1.00 0.00 N ATOM 725 CA ALA A 555 -3.282 -6.264 10.979 1.00 0.00 C ATOM 726 C ALA A 555 -3.836 -5.252 9.966 1.00 0.00 C ATOM 727 O ALA A 555 -4.820 -4.548 10.226 1.00 0.00 O ATOM 728 CB ALA A 555 -2.025 -5.701 11.646 1.00 0.00 C ATOM 0 H ALA A 555 -1.981 -7.811 10.421 1.00 0.00 H new ATOM 0 HA ALA A 555 -4.056 -6.436 11.727 1.00 0.00 H new ATOM 0 HB1 ALA A 555 -2.259 -4.746 12.116 1.00 0.00 H new ATOM 0 HB2 ALA A 555 -1.671 -6.400 12.403 1.00 0.00 H new ATOM 0 HB3 ALA A 555 -1.249 -5.555 10.895 1.00 0.00 H new ATOM 734 N ILE A 556 -3.211 -5.191 8.788 1.00 0.00 N ATOM 735 CA ILE A 556 -3.658 -4.350 7.688 1.00 0.00 C ATOM 736 C ILE A 556 -5.069 -4.797 7.290 1.00 0.00 C ATOM 737 O ILE A 556 -5.972 -3.965 7.184 1.00 0.00 O ATOM 738 CB ILE A 556 -2.606 -4.441 6.558 1.00 0.00 C ATOM 739 CG1 ILE A 556 -1.283 -3.774 7.014 1.00 0.00 C ATOM 740 CG2 ILE A 556 -3.137 -3.778 5.283 1.00 0.00 C ATOM 741 CD1 ILE A 556 -0.065 -4.072 6.127 1.00 0.00 C ATOM 0 H ILE A 556 -2.373 -5.731 8.574 1.00 0.00 H new ATOM 0 HA ILE A 556 -3.734 -3.296 7.954 1.00 0.00 H new ATOM 0 HB ILE A 556 -2.409 -5.490 6.339 1.00 0.00 H new ATOM 0 HG12 ILE A 556 -1.432 -2.695 7.050 1.00 0.00 H new ATOM 0 HG13 ILE A 556 -1.061 -4.099 8.030 1.00 0.00 H new ATOM 0 HG21 ILE A 556 -2.386 -3.849 4.496 1.00 0.00 H new ATOM 0 HG22 ILE A 556 -4.048 -4.283 4.962 1.00 0.00 H new ATOM 0 HG23 ILE A 556 -3.355 -2.729 5.482 1.00 0.00 H new ATOM 0 HD11 ILE A 556 0.811 -3.561 6.528 1.00 0.00 H new ATOM 0 HD12 ILE A 556 0.118 -5.146 6.109 1.00 0.00 H new ATOM 0 HD13 ILE A 556 -0.258 -3.720 5.114 1.00 0.00 H new ATOM 753 N MET A 557 -5.288 -6.102 7.126 1.00 0.00 N ATOM 754 CA MET A 557 -6.541 -6.617 6.576 1.00 0.00 C ATOM 755 C MET A 557 -7.692 -6.456 7.545 1.00 0.00 C ATOM 756 O MET A 557 -8.796 -6.133 7.106 1.00 0.00 O ATOM 757 CB MET A 557 -6.415 -8.081 6.159 1.00 0.00 C ATOM 758 CG MET A 557 -5.177 -8.268 5.293 1.00 0.00 C ATOM 759 SD MET A 557 -4.901 -7.076 3.966 1.00 0.00 S ATOM 760 CE MET A 557 -6.339 -7.493 2.988 1.00 0.00 C ATOM 0 H MET A 557 -4.610 -6.824 7.368 1.00 0.00 H new ATOM 0 HA MET A 557 -6.754 -6.021 5.689 1.00 0.00 H new ATOM 0 HB2 MET A 557 -6.351 -8.716 7.043 1.00 0.00 H new ATOM 0 HB3 MET A 557 -7.304 -8.389 5.609 1.00 0.00 H new ATOM 0 HG2 MET A 557 -4.304 -8.253 5.946 1.00 0.00 H new ATOM 0 HG3 MET A 557 -5.225 -9.262 4.848 1.00 0.00 H new ATOM 0 HE1 MET A 557 -6.616 -6.641 2.367 1.00 0.00 H new ATOM 0 HE2 MET A 557 -6.111 -8.348 2.351 1.00 0.00 H new ATOM 0 HE3 MET A 557 -7.168 -7.745 3.649 1.00 0.00 H new ATOM 770 N ALA A 558 -7.431 -6.599 8.845 1.00 0.00 N ATOM 771 CA ALA A 558 -8.393 -6.291 9.882 1.00 0.00 C ATOM 772 C ALA A 558 -8.900 -4.866 9.719 1.00 0.00 C ATOM 773 O ALA A 558 -10.102 -4.644 9.846 1.00 0.00 O ATOM 774 CB ALA A 558 -7.760 -6.483 11.263 1.00 0.00 C ATOM 0 H ALA A 558 -6.536 -6.935 9.202 1.00 0.00 H new ATOM 0 HA ALA A 558 -9.240 -6.972 9.793 1.00 0.00 H new ATOM 0 HB1 ALA A 558 -8.493 -6.248 12.035 1.00 0.00 H new ATOM 0 HB2 ALA A 558 -7.435 -7.518 11.374 1.00 0.00 H new ATOM 0 HB3 ALA A 558 -6.901 -5.820 11.365 1.00 0.00 H new ATOM 780 N THR A 559 -8.010 -3.924 9.402 1.00 0.00 N ATOM 781 CA THR A 559 -8.352 -2.524 9.219 1.00 0.00 C ATOM 782 C THR A 559 -9.110 -2.333 7.896 1.00 0.00 C ATOM 783 O THR A 559 -10.141 -1.657 7.875 1.00 0.00 O ATOM 784 CB THR A 559 -7.067 -1.675 9.313 1.00 0.00 C ATOM 785 OG1 THR A 559 -6.308 -2.050 10.459 1.00 0.00 O ATOM 786 CG2 THR A 559 -7.402 -0.186 9.435 1.00 0.00 C ATOM 0 H THR A 559 -7.019 -4.121 9.265 1.00 0.00 H new ATOM 0 HA THR A 559 -9.024 -2.186 10.007 1.00 0.00 H new ATOM 0 HB THR A 559 -6.493 -1.851 8.403 1.00 0.00 H new ATOM 0 HG1 THR A 559 -5.823 -2.881 10.273 1.00 0.00 H new ATOM 0 HG21 THR A 559 -6.479 0.390 9.500 1.00 0.00 H new ATOM 0 HG22 THR A 559 -7.968 0.132 8.560 1.00 0.00 H new ATOM 0 HG23 THR A 559 -7.997 -0.019 10.333 1.00 0.00 H new ATOM 794 N ILE A 560 -8.628 -2.908 6.787 1.00 0.00 N ATOM 795 CA ILE A 560 -9.269 -2.805 5.477 1.00 0.00 C ATOM 796 C ILE A 560 -10.664 -3.418 5.557 1.00 0.00 C ATOM 797 O ILE A 560 -11.646 -2.687 5.478 1.00 0.00 O ATOM 798 CB ILE A 560 -8.397 -3.449 4.374 1.00 0.00 C ATOM 799 CG1 ILE A 560 -7.116 -2.616 4.166 1.00 0.00 C ATOM 800 CG2 ILE A 560 -9.151 -3.560 3.028 1.00 0.00 C ATOM 801 CD1 ILE A 560 -6.107 -3.314 3.249 1.00 0.00 C ATOM 0 H ILE A 560 -7.772 -3.463 6.778 1.00 0.00 H new ATOM 0 HA ILE A 560 -9.373 -1.756 5.199 1.00 0.00 H new ATOM 0 HB ILE A 560 -8.146 -4.456 4.706 1.00 0.00 H new ATOM 0 HG12 ILE A 560 -7.381 -1.648 3.740 1.00 0.00 H new ATOM 0 HG13 ILE A 560 -6.651 -2.423 5.133 1.00 0.00 H new ATOM 0 HG21 ILE A 560 -8.500 -4.018 2.283 1.00 0.00 H new ATOM 0 HG22 ILE A 560 -10.041 -4.175 3.159 1.00 0.00 H new ATOM 0 HG23 ILE A 560 -9.444 -2.565 2.692 1.00 0.00 H new ATOM 0 HD11 ILE A 560 -5.223 -2.686 3.135 1.00 0.00 H new ATOM 0 HD12 ILE A 560 -5.819 -4.270 3.686 1.00 0.00 H new ATOM 0 HD13 ILE A 560 -6.560 -3.484 2.272 1.00 0.00 H new ATOM 813 N GLN A 561 -10.779 -4.739 5.714 1.00 0.00 N ATOM 814 CA GLN A 561 -12.053 -5.427 5.558 1.00 0.00 C ATOM 815 C GLN A 561 -13.110 -4.858 6.534 1.00 0.00 C ATOM 816 O GLN A 561 -14.299 -4.885 6.224 1.00 0.00 O ATOM 817 CB GLN A 561 -11.897 -6.937 5.777 1.00 0.00 C ATOM 818 CG GLN A 561 -11.001 -7.718 4.787 1.00 0.00 C ATOM 819 CD GLN A 561 -11.252 -9.198 5.044 1.00 0.00 C ATOM 820 OE1 GLN A 561 -12.151 -9.791 4.280 1.00 0.00 O flip ATOM 821 NE2 GLN A 561 -10.703 -9.803 5.960 1.00 0.00 N flip ATOM 0 H GLN A 561 -9.998 -5.352 5.950 1.00 0.00 H new ATOM 0 HA GLN A 561 -12.393 -5.260 4.536 1.00 0.00 H new ATOM 0 HB2 GLN A 561 -11.501 -7.091 6.781 1.00 0.00 H new ATOM 0 HB3 GLN A 561 -12.891 -7.384 5.754 1.00 0.00 H new ATOM 0 HG2 GLN A 561 -11.244 -7.457 3.757 1.00 0.00 H new ATOM 0 HG3 GLN A 561 -9.950 -7.472 4.939 1.00 0.00 H new ATOM 0 HE21 GLN A 561 -10.011 -9.330 6.541 1.00 0.00 H new ATOM 0 HE22 GLN A 561 -10.939 -10.779 6.140 1.00 0.00 H new ATOM 830 N ARG A 562 -12.707 -4.309 7.693 1.00 0.00 N ATOM 831 CA ARG A 562 -13.609 -3.674 8.658 1.00 0.00 C ATOM 832 C ARG A 562 -14.206 -2.390 8.106 1.00 0.00 C ATOM 833 O ARG A 562 -15.398 -2.154 8.301 1.00 0.00 O ATOM 834 CB ARG A 562 -12.855 -3.429 9.977 1.00 0.00 C ATOM 835 CG ARG A 562 -13.566 -2.561 11.027 1.00 0.00 C ATOM 836 CD ARG A 562 -13.223 -1.068 10.885 1.00 0.00 C ATOM 837 NE ARG A 562 -12.674 -0.520 12.134 1.00 0.00 N ATOM 838 CZ ARG A 562 -13.342 0.155 13.075 1.00 0.00 C ATOM 839 NH1 ARG A 562 -14.655 0.370 12.985 1.00 0.00 N ATOM 840 NH2 ARG A 562 -12.678 0.632 14.114 1.00 0.00 N ATOM 0 H ARG A 562 -11.730 -4.296 7.986 1.00 0.00 H new ATOM 0 HA ARG A 562 -14.446 -4.345 8.851 1.00 0.00 H new ATOM 0 HB2 ARG A 562 -12.635 -4.397 10.428 1.00 0.00 H new ATOM 0 HB3 ARG A 562 -11.899 -2.962 9.741 1.00 0.00 H new ATOM 0 HG2 ARG A 562 -14.644 -2.694 10.934 1.00 0.00 H new ATOM 0 HG3 ARG A 562 -13.288 -2.901 12.024 1.00 0.00 H new ATOM 0 HD2 ARG A 562 -12.501 -0.935 10.080 1.00 0.00 H new ATOM 0 HD3 ARG A 562 -14.118 -0.513 10.606 1.00 0.00 H new ATOM 0 HE ARG A 562 -11.679 -0.671 12.300 1.00 0.00 H new ATOM 0 HH11 ARG A 562 -15.176 0.016 12.183 1.00 0.00 H new ATOM 0 HH12 ARG A 562 -15.138 0.889 13.718 1.00 0.00 H new ATOM 0 HH21 ARG A 562 -11.672 0.483 14.188 1.00 0.00 H new ATOM 0 HH22 ARG A 562 -13.172 1.149 14.841 1.00 0.00 H new ATOM 854 N LYS A 563 -13.400 -1.543 7.462 1.00 0.00 N ATOM 855 CA LYS A 563 -13.890 -0.360 6.767 1.00 0.00 C ATOM 856 C LYS A 563 -14.895 -0.826 5.725 1.00 0.00 C ATOM 857 O LYS A 563 -16.081 -0.508 5.805 1.00 0.00 O ATOM 858 CB LYS A 563 -12.710 0.369 6.104 1.00 0.00 C ATOM 859 CG LYS A 563 -13.084 1.739 5.510 1.00 0.00 C ATOM 860 CD LYS A 563 -12.844 2.940 6.437 1.00 0.00 C ATOM 861 CE LYS A 563 -11.344 3.158 6.622 1.00 0.00 C ATOM 862 NZ LYS A 563 -10.994 4.507 7.119 1.00 0.00 N ATOM 0 H LYS A 563 -12.388 -1.662 7.410 1.00 0.00 H new ATOM 0 HA LYS A 563 -14.368 0.335 7.457 1.00 0.00 H new ATOM 0 HB2 LYS A 563 -11.919 0.506 6.841 1.00 0.00 H new ATOM 0 HB3 LYS A 563 -12.303 -0.261 5.313 1.00 0.00 H new ATOM 0 HG2 LYS A 563 -12.513 1.888 4.593 1.00 0.00 H new ATOM 0 HG3 LYS A 563 -14.137 1.721 5.230 1.00 0.00 H new ATOM 0 HD2 LYS A 563 -13.302 3.835 6.014 1.00 0.00 H new ATOM 0 HD3 LYS A 563 -13.318 2.766 7.403 1.00 0.00 H new ATOM 0 HE2 LYS A 563 -10.961 2.413 7.320 1.00 0.00 H new ATOM 0 HE3 LYS A 563 -10.842 2.990 5.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 563 -9.962 4.583 7.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 563 -11.329 5.223 6.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 563 -11.445 4.664 8.043 1.00 0.00 H new ATOM 876 N TYR A 564 -14.413 -1.630 4.785 1.00 0.00 N ATOM 877 CA TYR A 564 -15.125 -2.000 3.580 1.00 0.00 C ATOM 878 C TYR A 564 -15.982 -3.249 3.831 1.00 0.00 C ATOM 879 O TYR A 564 -15.933 -4.216 3.069 1.00 0.00 O ATOM 880 CB TYR A 564 -14.115 -2.191 2.444 1.00 0.00 C ATOM 881 CG TYR A 564 -13.207 -0.999 2.121 1.00 0.00 C ATOM 882 CD1 TYR A 564 -13.601 -0.040 1.166 1.00 0.00 C ATOM 883 CD2 TYR A 564 -11.950 -0.855 2.752 1.00 0.00 C ATOM 884 CE1 TYR A 564 -12.779 1.071 0.889 1.00 0.00 C ATOM 885 CE2 TYR A 564 -11.110 0.242 2.480 1.00 0.00 C ATOM 886 CZ TYR A 564 -11.557 1.227 1.577 1.00 0.00 C ATOM 887 OH TYR A 564 -10.815 2.348 1.422 1.00 0.00 O ATOM 0 H TYR A 564 -13.487 -2.053 4.848 1.00 0.00 H new ATOM 0 HA TYR A 564 -15.813 -1.208 3.285 1.00 0.00 H new ATOM 0 HB2 TYR A 564 -13.482 -3.043 2.691 1.00 0.00 H new ATOM 0 HB3 TYR A 564 -14.665 -2.454 1.541 1.00 0.00 H new ATOM 0 HD1 TYR A 564 -14.539 -0.157 0.643 1.00 0.00 H new ATOM 0 HD2 TYR A 564 -11.626 -1.604 3.459 1.00 0.00 H new ATOM 0 HE1 TYR A 564 -13.083 1.800 0.153 1.00 0.00 H new ATOM 0 HE2 TYR A 564 -10.143 0.327 2.954 1.00 0.00 H new ATOM 0 HH TYR A 564 -10.842 2.875 2.248 1.00 0.00 H new ATOM 897 N LYS A 565 -16.701 -3.292 4.958 1.00 0.00 N ATOM 898 CA LYS A 565 -17.413 -4.476 5.403 1.00 0.00 C ATOM 899 C LYS A 565 -18.387 -4.899 4.317 1.00 0.00 C ATOM 900 O LYS A 565 -19.066 -4.053 3.725 1.00 0.00 O ATOM 901 CB LYS A 565 -18.055 -4.240 6.769 1.00 0.00 C ATOM 902 CG LYS A 565 -19.513 -3.788 6.680 1.00 0.00 C ATOM 903 CD LYS A 565 -20.186 -3.613 8.044 1.00 0.00 C ATOM 904 CE LYS A 565 -19.375 -2.760 9.018 1.00 0.00 C ATOM 905 NZ LYS A 565 -20.149 -2.458 10.240 1.00 0.00 N ATOM 0 H LYS A 565 -16.801 -2.495 5.586 1.00 0.00 H new ATOM 0 HA LYS A 565 -16.726 -5.308 5.556 1.00 0.00 H new ATOM 0 HB2 LYS A 565 -18.001 -5.159 7.352 1.00 0.00 H new ATOM 0 HB3 LYS A 565 -17.480 -3.487 7.308 1.00 0.00 H new ATOM 0 HG2 LYS A 565 -19.559 -2.844 6.138 1.00 0.00 H new ATOM 0 HG3 LYS A 565 -20.076 -4.518 6.098 1.00 0.00 H new ATOM 0 HD2 LYS A 565 -21.165 -3.156 7.901 1.00 0.00 H new ATOM 0 HD3 LYS A 565 -20.354 -4.595 8.486 1.00 0.00 H new ATOM 0 HE2 LYS A 565 -18.457 -3.284 9.286 1.00 0.00 H new ATOM 0 HE3 LYS A 565 -19.081 -1.830 8.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 565 -19.572 -1.878 10.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 565 -21.012 -1.937 9.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 565 -20.408 -3.346 10.715 1.00 0.00 H new ATOM 919 N GLY A 566 -18.457 -6.197 4.069 1.00 0.00 N ATOM 920 CA GLY A 566 -19.060 -6.702 2.862 1.00 0.00 C ATOM 921 C GLY A 566 -18.030 -7.488 2.066 1.00 0.00 C ATOM 922 O GLY A 566 -18.369 -8.534 1.524 1.00 0.00 O ATOM 0 H GLY A 566 -18.099 -6.918 4.696 1.00 0.00 H new ATOM 0 HA2 GLY A 566 -19.909 -7.340 3.107 1.00 0.00 H new ATOM 0 HA3 GLY A 566 -19.444 -5.877 2.263 1.00 0.00 H new ATOM 926 N ILE A 567 -16.773 -7.044 2.041 1.00 0.00 N ATOM 927 CA ILE A 567 -15.675 -7.714 1.357 1.00 0.00 C ATOM 928 C ILE A 567 -15.256 -8.995 2.090 1.00 0.00 C ATOM 929 O ILE A 567 -15.245 -9.050 3.326 1.00 0.00 O ATOM 930 CB ILE A 567 -14.534 -6.677 1.232 1.00 0.00 C ATOM 931 CG1 ILE A 567 -13.499 -7.037 0.153 1.00 0.00 C ATOM 932 CG2 ILE A 567 -13.857 -6.368 2.575 1.00 0.00 C ATOM 933 CD1 ILE A 567 -12.255 -6.136 0.211 1.00 0.00 C ATOM 0 H ILE A 567 -16.486 -6.185 2.510 1.00 0.00 H new ATOM 0 HA ILE A 567 -15.970 -8.053 0.364 1.00 0.00 H new ATOM 0 HB ILE A 567 -15.024 -5.761 0.901 1.00 0.00 H new ATOM 0 HG12 ILE A 567 -13.197 -8.077 0.276 1.00 0.00 H new ATOM 0 HG13 ILE A 567 -13.960 -6.953 -0.831 1.00 0.00 H new ATOM 0 HG21 ILE A 567 -13.065 -5.634 2.423 1.00 0.00 H new ATOM 0 HG22 ILE A 567 -14.594 -5.967 3.271 1.00 0.00 H new ATOM 0 HG23 ILE A 567 -13.430 -7.283 2.986 1.00 0.00 H new ATOM 0 HD11 ILE A 567 -11.555 -6.431 -0.571 1.00 0.00 H new ATOM 0 HD12 ILE A 567 -12.550 -5.098 0.061 1.00 0.00 H new ATOM 0 HD13 ILE A 567 -11.776 -6.239 1.185 1.00 0.00 H new ATOM 945 N LYS A 568 -14.801 -9.988 1.330 1.00 0.00 N ATOM 946 CA LYS A 568 -13.939 -11.087 1.760 1.00 0.00 C ATOM 947 C LYS A 568 -12.663 -10.967 0.934 1.00 0.00 C ATOM 948 O LYS A 568 -12.775 -10.627 -0.236 1.00 0.00 O ATOM 949 CB LYS A 568 -14.640 -12.420 1.468 1.00 0.00 C ATOM 950 CG LYS A 568 -13.858 -13.610 2.062 1.00 0.00 C ATOM 951 CD LYS A 568 -14.350 -14.974 1.563 1.00 0.00 C ATOM 952 CE LYS A 568 -13.472 -16.085 2.161 1.00 0.00 C ATOM 953 NZ LYS A 568 -13.998 -17.437 1.884 1.00 0.00 N ATOM 0 H LYS A 568 -15.038 -10.051 0.340 1.00 0.00 H new ATOM 0 HA LYS A 568 -13.721 -11.047 2.827 1.00 0.00 H new ATOM 0 HB2 LYS A 568 -15.648 -12.401 1.883 1.00 0.00 H new ATOM 0 HB3 LYS A 568 -14.742 -12.551 0.391 1.00 0.00 H new ATOM 0 HG2 LYS A 568 -12.802 -13.501 1.815 1.00 0.00 H new ATOM 0 HG3 LYS A 568 -13.936 -13.580 3.149 1.00 0.00 H new ATOM 0 HD2 LYS A 568 -15.391 -15.124 1.850 1.00 0.00 H new ATOM 0 HD3 LYS A 568 -14.311 -15.011 0.474 1.00 0.00 H new ATOM 0 HE2 LYS A 568 -12.463 -16.002 1.757 1.00 0.00 H new ATOM 0 HE3 LYS A 568 -13.397 -15.943 3.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 -13.369 -18.148 2.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 -14.950 -17.529 2.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 -14.046 -17.587 0.856 1.00 0.00 H new ATOM 967 N ILE A 569 -11.478 -11.203 1.505 1.00 0.00 N ATOM 968 CA ILE A 569 -10.179 -11.305 0.821 1.00 0.00 C ATOM 969 C ILE A 569 -10.289 -12.000 -0.546 1.00 0.00 C ATOM 970 O ILE A 569 -11.112 -12.898 -0.750 1.00 0.00 O ATOM 971 CB ILE A 569 -9.122 -11.975 1.734 1.00 0.00 C ATOM 972 CG1 ILE A 569 -9.023 -11.298 3.119 1.00 0.00 C ATOM 973 CG2 ILE A 569 -7.726 -11.979 1.083 1.00 0.00 C ATOM 974 CD1 ILE A 569 -8.795 -9.783 3.041 1.00 0.00 C ATOM 0 H ILE A 569 -11.391 -11.336 2.513 1.00 0.00 H new ATOM 0 HA ILE A 569 -9.840 -10.290 0.615 1.00 0.00 H new ATOM 0 HB ILE A 569 -9.463 -13.001 1.870 1.00 0.00 H new ATOM 0 HG12 ILE A 569 -9.939 -11.492 3.676 1.00 0.00 H new ATOM 0 HG13 ILE A 569 -8.206 -11.753 3.680 1.00 0.00 H new ATOM 0 HG21 ILE A 569 -7.013 -12.457 1.754 1.00 0.00 H new ATOM 0 HG22 ILE A 569 -7.765 -12.529 0.143 1.00 0.00 H new ATOM 0 HG23 ILE A 569 -7.411 -10.953 0.890 1.00 0.00 H new ATOM 0 HD11 ILE A 569 -8.735 -9.372 4.049 1.00 0.00 H new ATOM 0 HD12 ILE A 569 -7.864 -9.582 2.511 1.00 0.00 H new ATOM 0 HD13 ILE A 569 -9.624 -9.317 2.508 1.00 0.00 H new ATOM 986 N GLN A 570 -9.457 -11.534 -1.475 1.00 0.00 N ATOM 987 CA GLN A 570 -9.397 -11.867 -2.886 1.00 0.00 C ATOM 988 C GLN A 570 -7.909 -12.066 -3.234 1.00 0.00 C ATOM 989 O GLN A 570 -7.066 -11.912 -2.348 1.00 0.00 O ATOM 990 CB GLN A 570 -9.998 -10.686 -3.661 1.00 0.00 C ATOM 991 CG GLN A 570 -11.335 -10.135 -3.112 1.00 0.00 C ATOM 992 CD GLN A 570 -11.189 -8.811 -2.339 1.00 0.00 C ATOM 993 OE1 GLN A 570 -10.929 -8.737 -1.032 1.00 0.00 O flip ATOM 994 NE2 GLN A 570 -11.347 -7.758 -2.933 1.00 0.00 N flip ATOM 0 H GLN A 570 -8.742 -10.849 -1.229 1.00 0.00 H new ATOM 0 HA GLN A 570 -9.951 -12.771 -3.137 1.00 0.00 H new ATOM 0 HB2 GLN A 570 -9.270 -9.875 -3.674 1.00 0.00 H new ATOM 0 HB3 GLN A 570 -10.150 -10.994 -4.695 1.00 0.00 H new ATOM 0 HG2 GLN A 570 -12.025 -9.986 -3.943 1.00 0.00 H new ATOM 0 HG3 GLN A 570 -11.783 -10.881 -2.456 1.00 0.00 H new ATOM 0 HE21 GLN A 570 -11.548 -7.762 -3.933 1.00 0.00 H new ATOM 0 HE22 GLN A 570 -11.278 -6.873 -2.430 1.00 0.00 H new ATOM 1003 N GLU A 571 -7.554 -12.328 -4.493 1.00 0.00 N ATOM 1004 CA GLU A 571 -6.172 -12.206 -4.955 1.00 0.00 C ATOM 1005 C GLU A 571 -6.102 -11.308 -6.193 1.00 0.00 C ATOM 1006 O GLU A 571 -7.124 -11.056 -6.849 1.00 0.00 O ATOM 1007 CB GLU A 571 -5.587 -13.601 -5.232 1.00 0.00 C ATOM 1008 CG GLU A 571 -4.066 -13.657 -4.984 1.00 0.00 C ATOM 1009 CD GLU A 571 -3.305 -14.406 -6.079 1.00 0.00 C ATOM 1010 OE1 GLU A 571 -3.597 -15.606 -6.300 1.00 0.00 O ATOM 1011 OE2 GLU A 571 -2.378 -13.802 -6.663 1.00 0.00 O ATOM 0 H GLU A 571 -8.210 -12.628 -5.214 1.00 0.00 H new ATOM 0 HA GLU A 571 -5.571 -11.738 -4.176 1.00 0.00 H new ATOM 0 HB2 GLU A 571 -6.084 -14.334 -4.596 1.00 0.00 H new ATOM 0 HB3 GLU A 571 -5.795 -13.882 -6.265 1.00 0.00 H new ATOM 0 HG2 GLU A 571 -3.678 -12.641 -4.911 1.00 0.00 H new ATOM 0 HG3 GLU A 571 -3.878 -14.139 -4.025 1.00 0.00 H new ATOM 1018 N GLY A 572 -4.892 -10.863 -6.534 1.00 0.00 N ATOM 1019 CA GLY A 572 -4.635 -9.985 -7.658 1.00 0.00 C ATOM 1020 C GLY A 572 -5.138 -8.577 -7.402 1.00 0.00 C ATOM 1021 O GLY A 572 -5.319 -8.140 -6.262 1.00 0.00 O ATOM 0 H GLY A 572 -4.048 -11.114 -6.019 1.00 0.00 H new ATOM 0 HA2 GLY A 572 -3.564 -9.957 -7.859 1.00 0.00 H new ATOM 0 HA3 GLY A 572 -5.117 -10.386 -8.550 1.00 0.00 H new ATOM 1025 N ILE A 573 -5.323 -7.849 -8.497 1.00 0.00 N ATOM 1026 CA ILE A 573 -5.987 -6.557 -8.522 1.00 0.00 C ATOM 1027 C ILE A 573 -7.314 -6.694 -7.780 1.00 0.00 C ATOM 1028 O ILE A 573 -8.057 -7.656 -7.985 1.00 0.00 O ATOM 1029 CB ILE A 573 -6.160 -6.137 -9.993 1.00 0.00 C ATOM 1030 CG1 ILE A 573 -4.784 -5.659 -10.516 1.00 0.00 C ATOM 1031 CG2 ILE A 573 -7.244 -5.051 -10.181 1.00 0.00 C ATOM 1032 CD1 ILE A 573 -4.719 -5.474 -12.031 1.00 0.00 C ATOM 0 H ILE A 573 -5.005 -8.153 -9.417 1.00 0.00 H new ATOM 0 HA ILE A 573 -5.409 -5.779 -8.024 1.00 0.00 H new ATOM 0 HB ILE A 573 -6.509 -6.994 -10.569 1.00 0.00 H new ATOM 0 HG12 ILE A 573 -4.534 -4.714 -10.035 1.00 0.00 H new ATOM 0 HG13 ILE A 573 -4.024 -6.380 -10.216 1.00 0.00 H new ATOM 0 HG21 ILE A 573 -7.322 -4.794 -11.237 1.00 0.00 H new ATOM 0 HG22 ILE A 573 -8.203 -5.429 -9.828 1.00 0.00 H new ATOM 0 HG23 ILE A 573 -6.972 -4.163 -9.611 1.00 0.00 H new ATOM 0 HD11 ILE A 573 -3.721 -5.138 -12.314 1.00 0.00 H new ATOM 0 HD12 ILE A 573 -4.936 -6.422 -12.523 1.00 0.00 H new ATOM 0 HD13 ILE A 573 -5.453 -4.730 -12.338 1.00 0.00 H new ATOM 1044 N VAL A 574 -7.623 -5.713 -6.943 1.00 0.00 N ATOM 1045 CA VAL A 574 -8.867 -5.618 -6.217 1.00 0.00 C ATOM 1046 C VAL A 574 -9.375 -4.211 -6.420 1.00 0.00 C ATOM 1047 O VAL A 574 -8.625 -3.246 -6.344 1.00 0.00 O ATOM 1048 CB VAL A 574 -8.593 -5.978 -4.735 1.00 0.00 C ATOM 1049 CG1 VAL A 574 -9.622 -5.390 -3.756 1.00 0.00 C ATOM 1050 CG2 VAL A 574 -8.510 -7.501 -4.553 1.00 0.00 C ATOM 0 H VAL A 574 -6.988 -4.939 -6.749 1.00 0.00 H new ATOM 0 HA VAL A 574 -9.634 -6.310 -6.565 1.00 0.00 H new ATOM 0 HB VAL A 574 -7.633 -5.522 -4.491 1.00 0.00 H new ATOM 0 HG11 VAL A 574 -9.365 -5.684 -2.738 1.00 0.00 H new ATOM 0 HG12 VAL A 574 -9.616 -4.303 -3.832 1.00 0.00 H new ATOM 0 HG13 VAL A 574 -10.615 -5.766 -4.003 1.00 0.00 H new ATOM 0 HG21 VAL A 574 -8.317 -7.732 -3.505 1.00 0.00 H new ATOM 0 HG22 VAL A 574 -9.453 -7.956 -4.857 1.00 0.00 H new ATOM 0 HG23 VAL A 574 -7.701 -7.897 -5.167 1.00 0.00 H new ATOM 1060 N ASP A 575 -10.677 -4.092 -6.614 1.00 0.00 N ATOM 1061 CA ASP A 575 -11.390 -2.854 -6.419 1.00 0.00 C ATOM 1062 C ASP A 575 -12.594 -3.204 -5.572 1.00 0.00 C ATOM 1063 O ASP A 575 -13.469 -3.962 -6.008 1.00 0.00 O ATOM 1064 CB ASP A 575 -11.754 -2.218 -7.755 1.00 0.00 C ATOM 1065 CG ASP A 575 -12.701 -1.010 -7.572 1.00 0.00 C ATOM 1066 OD1 ASP A 575 -12.913 -0.530 -6.436 1.00 0.00 O ATOM 1067 OD2 ASP A 575 -13.245 -0.501 -8.586 1.00 0.00 O ATOM 0 H ASP A 575 -11.270 -4.865 -6.915 1.00 0.00 H new ATOM 0 HA ASP A 575 -10.786 -2.101 -5.913 1.00 0.00 H new ATOM 0 HB2 ASP A 575 -10.846 -1.895 -8.264 1.00 0.00 H new ATOM 0 HB3 ASP A 575 -12.231 -2.961 -8.394 1.00 0.00 H new ATOM 1072 N TYR A 576 -12.582 -2.704 -4.339 1.00 0.00 N ATOM 1073 CA TYR A 576 -13.758 -2.737 -3.465 1.00 0.00 C ATOM 1074 C TYR A 576 -14.009 -1.364 -2.832 1.00 0.00 C ATOM 1075 O TYR A 576 -14.572 -1.264 -1.745 1.00 0.00 O ATOM 1076 CB TYR A 576 -13.672 -3.921 -2.464 1.00 0.00 C ATOM 1077 CG TYR A 576 -15.022 -4.410 -1.972 1.00 0.00 C ATOM 1078 CD1 TYR A 576 -15.705 -5.428 -2.654 1.00 0.00 C ATOM 1079 CD2 TYR A 576 -15.590 -3.866 -0.811 1.00 0.00 C ATOM 1080 CE1 TYR A 576 -16.941 -5.889 -2.173 1.00 0.00 C ATOM 1081 CE2 TYR A 576 -16.830 -4.303 -0.321 1.00 0.00 C ATOM 1082 CZ TYR A 576 -17.523 -5.324 -1.015 1.00 0.00 C ATOM 1083 OH TYR A 576 -18.712 -5.826 -0.565 1.00 0.00 O ATOM 0 H TYR A 576 -11.763 -2.266 -3.917 1.00 0.00 H new ATOM 0 HA TYR A 576 -14.650 -2.937 -4.058 1.00 0.00 H new ATOM 0 HB2 TYR A 576 -13.148 -4.750 -2.941 1.00 0.00 H new ATOM 0 HB3 TYR A 576 -13.072 -3.616 -1.606 1.00 0.00 H new ATOM 0 HD1 TYR A 576 -15.280 -5.857 -3.549 1.00 0.00 H new ATOM 0 HD2 TYR A 576 -15.059 -3.090 -0.280 1.00 0.00 H new ATOM 0 HE1 TYR A 576 -17.453 -6.685 -2.694 1.00 0.00 H new ATOM 0 HE2 TYR A 576 -17.250 -3.867 0.573 1.00 0.00 H new ATOM 0 HH TYR A 576 -18.775 -6.776 -0.798 1.00 0.00 H new ATOM 1093 N GLY A 577 -13.546 -0.296 -3.473 1.00 0.00 N ATOM 1094 CA GLY A 577 -13.471 1.020 -2.859 1.00 0.00 C ATOM 1095 C GLY A 577 -12.167 1.665 -3.272 1.00 0.00 C ATOM 1096 O GLY A 577 -12.109 2.396 -4.260 1.00 0.00 O ATOM 0 H GLY A 577 -13.212 -0.321 -4.436 1.00 0.00 H new ATOM 0 HA2 GLY A 577 -14.315 1.634 -3.174 1.00 0.00 H new ATOM 0 HA3 GLY A 577 -13.526 0.936 -1.774 1.00 0.00 H new ATOM 1100 N VAL A 578 -11.092 1.352 -2.552 1.00 0.00 N ATOM 1101 CA VAL A 578 -9.748 1.629 -3.028 1.00 0.00 C ATOM 1102 C VAL A 578 -9.393 0.497 -3.986 1.00 0.00 C ATOM 1103 O VAL A 578 -9.774 -0.666 -3.772 1.00 0.00 O ATOM 1104 CB VAL A 578 -8.798 1.758 -1.821 1.00 0.00 C ATOM 1105 CG1 VAL A 578 -7.309 1.721 -2.192 1.00 0.00 C ATOM 1106 CG2 VAL A 578 -9.088 3.084 -1.104 1.00 0.00 C ATOM 0 H VAL A 578 -11.131 0.906 -1.636 1.00 0.00 H new ATOM 0 HA VAL A 578 -9.663 2.574 -3.565 1.00 0.00 H new ATOM 0 HB VAL A 578 -8.986 0.894 -1.184 1.00 0.00 H new ATOM 0 HG11 VAL A 578 -6.706 1.817 -1.289 1.00 0.00 H new ATOM 0 HG12 VAL A 578 -7.080 0.775 -2.682 1.00 0.00 H new ATOM 0 HG13 VAL A 578 -7.082 2.545 -2.869 1.00 0.00 H new ATOM 0 HG21 VAL A 578 -8.422 3.188 -0.247 1.00 0.00 H new ATOM 0 HG22 VAL A 578 -8.925 3.913 -1.793 1.00 0.00 H new ATOM 0 HG23 VAL A 578 -10.123 3.094 -0.762 1.00 0.00 H new ATOM 1116 N ARG A 579 -8.658 0.838 -5.046 1.00 0.00 N ATOM 1117 CA ARG A 579 -8.099 -0.157 -5.936 1.00 0.00 C ATOM 1118 C ARG A 579 -6.871 -0.728 -5.243 1.00 0.00 C ATOM 1119 O ARG A 579 -5.799 -0.113 -5.261 1.00 0.00 O ATOM 1120 CB ARG A 579 -7.771 0.468 -7.295 1.00 0.00 C ATOM 1121 CG ARG A 579 -7.609 -0.598 -8.383 1.00 0.00 C ATOM 1122 CD ARG A 579 -7.242 0.027 -9.734 1.00 0.00 C ATOM 1123 NE ARG A 579 -8.388 0.694 -10.386 1.00 0.00 N ATOM 1124 CZ ARG A 579 -8.559 0.783 -11.714 1.00 0.00 C ATOM 1125 NH1 ARG A 579 -7.574 0.490 -12.552 1.00 0.00 N ATOM 1126 NH2 ARG A 579 -9.718 1.164 -12.226 1.00 0.00 N ATOM 0 H ARG A 579 -8.441 1.801 -5.302 1.00 0.00 H new ATOM 0 HA ARG A 579 -8.807 -0.960 -6.140 1.00 0.00 H new ATOM 0 HB2 ARG A 579 -8.564 1.160 -7.578 1.00 0.00 H new ATOM 0 HB3 ARG A 579 -6.853 1.050 -7.216 1.00 0.00 H new ATOM 0 HG2 ARG A 579 -6.835 -1.307 -8.087 1.00 0.00 H new ATOM 0 HG3 ARG A 579 -8.537 -1.162 -8.482 1.00 0.00 H new ATOM 0 HD2 ARG A 579 -6.441 0.751 -9.588 1.00 0.00 H new ATOM 0 HD3 ARG A 579 -6.855 -0.749 -10.395 1.00 0.00 H new ATOM 0 HE ARG A 579 -9.097 1.115 -9.786 1.00 0.00 H new ATOM 0 HH11 ARG A 579 -6.668 0.191 -12.190 1.00 0.00 H new ATOM 0 HH12 ARG A 579 -7.722 0.563 -13.559 1.00 0.00 H new ATOM 0 HH21 ARG A 579 -10.497 1.395 -11.609 1.00 0.00 H new ATOM 0 HH22 ARG A 579 -9.833 1.227 -13.238 1.00 0.00 H new ATOM 1140 N PHE A 580 -7.039 -1.839 -4.541 1.00 0.00 N ATOM 1141 CA PHE A 580 -5.918 -2.547 -3.958 1.00 0.00 C ATOM 1142 C PHE A 580 -5.233 -3.460 -4.994 1.00 0.00 C ATOM 1143 O PHE A 580 -5.750 -3.692 -6.084 1.00 0.00 O ATOM 1144 CB PHE A 580 -6.399 -3.303 -2.717 1.00 0.00 C ATOM 1145 CG PHE A 580 -6.833 -2.419 -1.554 1.00 0.00 C ATOM 1146 CD1 PHE A 580 -5.887 -1.642 -0.862 1.00 0.00 C ATOM 1147 CD2 PHE A 580 -8.179 -2.371 -1.143 1.00 0.00 C ATOM 1148 CE1 PHE A 580 -6.253 -0.889 0.264 1.00 0.00 C ATOM 1149 CE2 PHE A 580 -8.548 -1.622 -0.010 1.00 0.00 C ATOM 1150 CZ PHE A 580 -7.588 -0.883 0.696 1.00 0.00 C ATOM 0 H PHE A 580 -7.947 -2.268 -4.363 1.00 0.00 H new ATOM 0 HA PHE A 580 -5.153 -1.837 -3.644 1.00 0.00 H new ATOM 0 HB2 PHE A 580 -7.235 -3.942 -3.000 1.00 0.00 H new ATOM 0 HB3 PHE A 580 -5.598 -3.959 -2.376 1.00 0.00 H new ATOM 0 HD1 PHE A 580 -4.862 -1.625 -1.203 1.00 0.00 H new ATOM 0 HD2 PHE A 580 -8.931 -2.911 -1.699 1.00 0.00 H new ATOM 0 HE1 PHE A 580 -5.509 -0.315 0.797 1.00 0.00 H new ATOM 0 HE2 PHE A 580 -9.577 -1.616 0.318 1.00 0.00 H new ATOM 0 HZ PHE A 580 -7.874 -0.313 1.567 1.00 0.00 H new ATOM 1160 N PHE A 581 -4.079 -4.025 -4.637 1.00 0.00 N ATOM 1161 CA PHE A 581 -3.441 -5.138 -5.337 1.00 0.00 C ATOM 1162 C PHE A 581 -2.957 -6.102 -4.271 1.00 0.00 C ATOM 1163 O PHE A 581 -2.022 -5.785 -3.531 1.00 0.00 O ATOM 1164 CB PHE A 581 -2.310 -4.661 -6.268 1.00 0.00 C ATOM 1165 CG PHE A 581 -1.408 -5.753 -6.836 1.00 0.00 C ATOM 1166 CD1 PHE A 581 -1.876 -6.595 -7.861 1.00 0.00 C ATOM 1167 CD2 PHE A 581 -0.084 -5.910 -6.375 1.00 0.00 C ATOM 1168 CE1 PHE A 581 -1.031 -7.576 -8.410 1.00 0.00 C ATOM 1169 CE2 PHE A 581 0.774 -6.882 -6.924 1.00 0.00 C ATOM 1170 CZ PHE A 581 0.286 -7.723 -7.938 1.00 0.00 C ATOM 0 H PHE A 581 -3.546 -3.710 -3.826 1.00 0.00 H new ATOM 0 HA PHE A 581 -4.148 -5.637 -5.999 1.00 0.00 H new ATOM 0 HB2 PHE A 581 -2.756 -4.116 -7.100 1.00 0.00 H new ATOM 0 HB3 PHE A 581 -1.689 -3.953 -5.720 1.00 0.00 H new ATOM 0 HD1 PHE A 581 -2.886 -6.488 -8.227 1.00 0.00 H new ATOM 0 HD2 PHE A 581 0.279 -5.271 -5.584 1.00 0.00 H new ATOM 0 HE1 PHE A 581 -1.395 -8.219 -9.197 1.00 0.00 H new ATOM 0 HE2 PHE A 581 1.790 -6.979 -6.572 1.00 0.00 H new ATOM 0 HZ PHE A 581 0.925 -8.486 -8.357 1.00 0.00 H new ATOM 1180 N PHE A 582 -3.658 -7.222 -4.140 1.00 0.00 N ATOM 1181 CA PHE A 582 -3.284 -8.349 -3.310 1.00 0.00 C ATOM 1182 C PHE A 582 -2.525 -9.342 -4.183 1.00 0.00 C ATOM 1183 O PHE A 582 -2.640 -9.336 -5.404 1.00 0.00 O ATOM 1184 CB PHE A 582 -4.546 -8.995 -2.716 1.00 0.00 C ATOM 1185 CG PHE A 582 -5.433 -8.115 -1.843 1.00 0.00 C ATOM 1186 CD1 PHE A 582 -5.022 -6.845 -1.391 1.00 0.00 C ATOM 1187 CD2 PHE A 582 -6.705 -8.588 -1.478 1.00 0.00 C ATOM 1188 CE1 PHE A 582 -5.881 -6.061 -0.598 1.00 0.00 C ATOM 1189 CE2 PHE A 582 -7.556 -7.813 -0.674 1.00 0.00 C ATOM 1190 CZ PHE A 582 -7.151 -6.541 -0.246 1.00 0.00 C ATOM 0 H PHE A 582 -4.539 -7.371 -4.632 1.00 0.00 H new ATOM 0 HA PHE A 582 -2.651 -8.029 -2.483 1.00 0.00 H new ATOM 0 HB2 PHE A 582 -5.151 -9.374 -3.540 1.00 0.00 H new ATOM 0 HB3 PHE A 582 -4.238 -9.857 -2.124 1.00 0.00 H new ATOM 0 HD1 PHE A 582 -4.043 -6.472 -1.654 1.00 0.00 H new ATOM 0 HD2 PHE A 582 -7.032 -9.559 -1.820 1.00 0.00 H new ATOM 0 HE1 PHE A 582 -5.561 -5.087 -0.259 1.00 0.00 H new ATOM 0 HE2 PHE A 582 -8.523 -8.197 -0.385 1.00 0.00 H new ATOM 0 HZ PHE A 582 -7.814 -5.933 0.352 1.00 0.00 H new ATOM 1200 N TYR A 583 -1.740 -10.205 -3.556 1.00 0.00 N ATOM 1201 CA TYR A 583 -0.838 -11.116 -4.256 1.00 0.00 C ATOM 1202 C TYR A 583 -0.439 -12.239 -3.312 1.00 0.00 C ATOM 1203 O TYR A 583 -0.807 -12.232 -2.137 1.00 0.00 O ATOM 1204 CB TYR A 583 0.399 -10.342 -4.751 1.00 0.00 C ATOM 1205 CG TYR A 583 1.002 -9.398 -3.728 1.00 0.00 C ATOM 1206 CD1 TYR A 583 0.484 -8.095 -3.610 1.00 0.00 C ATOM 1207 CD2 TYR A 583 2.027 -9.825 -2.861 1.00 0.00 C ATOM 1208 CE1 TYR A 583 0.927 -7.247 -2.591 1.00 0.00 C ATOM 1209 CE2 TYR A 583 2.508 -8.959 -1.860 1.00 0.00 C ATOM 1210 CZ TYR A 583 1.940 -7.673 -1.711 1.00 0.00 C ATOM 1211 OH TYR A 583 2.369 -6.834 -0.737 1.00 0.00 O ATOM 0 H TYR A 583 -1.708 -10.296 -2.541 1.00 0.00 H new ATOM 0 HA TYR A 583 -1.337 -11.548 -5.124 1.00 0.00 H new ATOM 0 HB2 TYR A 583 1.161 -11.058 -5.059 1.00 0.00 H new ATOM 0 HB3 TYR A 583 0.123 -9.770 -5.637 1.00 0.00 H new ATOM 0 HD1 TYR A 583 -0.261 -7.748 -4.311 1.00 0.00 H new ATOM 0 HD2 TYR A 583 2.444 -10.816 -2.964 1.00 0.00 H new ATOM 0 HE1 TYR A 583 0.492 -6.265 -2.479 1.00 0.00 H new ATOM 0 HE2 TYR A 583 3.308 -9.276 -1.208 1.00 0.00 H new ATOM 0 HH TYR A 583 1.730 -6.099 -0.634 1.00 0.00 H new ATOM 1221 N THR A 584 0.332 -13.200 -3.793 1.00 0.00 N ATOM 1222 CA THR A 584 0.841 -14.308 -3.008 1.00 0.00 C ATOM 1223 C THR A 584 2.021 -13.845 -2.152 1.00 0.00 C ATOM 1224 O THR A 584 3.132 -13.728 -2.657 1.00 0.00 O ATOM 1225 CB THR A 584 1.238 -15.440 -3.972 1.00 0.00 C ATOM 1226 OG1 THR A 584 1.663 -14.935 -5.229 1.00 0.00 O ATOM 1227 CG2 THR A 584 0.026 -16.324 -4.261 1.00 0.00 C ATOM 0 H THR A 584 0.628 -13.230 -4.769 1.00 0.00 H new ATOM 0 HA THR A 584 0.078 -14.680 -2.324 1.00 0.00 H new ATOM 0 HB THR A 584 2.046 -15.991 -3.490 1.00 0.00 H new ATOM 0 HG1 THR A 584 2.071 -14.052 -5.106 1.00 0.00 H new ATOM 0 HG21 THR A 584 0.313 -17.123 -4.944 1.00 0.00 H new ATOM 0 HG22 THR A 584 -0.339 -16.756 -3.330 1.00 0.00 H new ATOM 0 HG23 THR A 584 -0.762 -15.724 -4.716 1.00 0.00 H new ATOM 1235 N SER A 585 1.820 -13.641 -0.849 1.00 0.00 N ATOM 1236 CA SER A 585 2.898 -13.427 0.112 1.00 0.00 C ATOM 1237 C SER A 585 3.955 -14.539 0.089 1.00 0.00 C ATOM 1238 O SER A 585 5.082 -14.322 0.527 1.00 0.00 O ATOM 1239 CB SER A 585 2.251 -13.348 1.492 1.00 0.00 C ATOM 1240 OG SER A 585 1.306 -14.396 1.645 1.00 0.00 O ATOM 0 H SER A 585 0.891 -13.620 -0.428 1.00 0.00 H new ATOM 0 HA SER A 585 3.428 -12.510 -0.146 1.00 0.00 H new ATOM 0 HB2 SER A 585 3.015 -13.420 2.266 1.00 0.00 H new ATOM 0 HB3 SER A 585 1.760 -12.383 1.618 1.00 0.00 H new ATOM 0 HG SER A 585 0.516 -14.058 2.115 1.00 0.00 H new ATOM 1246 N LYS A 586 3.603 -15.727 -0.414 1.00 0.00 N ATOM 1247 CA LYS A 586 4.486 -16.848 -0.628 1.00 0.00 C ATOM 1248 C LYS A 586 5.606 -16.521 -1.617 1.00 0.00 C ATOM 1249 O LYS A 586 6.650 -17.178 -1.564 1.00 0.00 O ATOM 1250 CB LYS A 586 3.632 -18.000 -1.158 1.00 0.00 C ATOM 1251 CG LYS A 586 2.680 -18.641 -0.132 1.00 0.00 C ATOM 1252 CD LYS A 586 1.762 -19.671 -0.813 1.00 0.00 C ATOM 1253 CE LYS A 586 2.510 -20.956 -1.203 1.00 0.00 C ATOM 1254 NZ LYS A 586 1.846 -21.658 -2.319 1.00 0.00 N ATOM 0 H LYS A 586 2.643 -15.929 -0.693 1.00 0.00 H new ATOM 0 HA LYS A 586 4.973 -17.112 0.311 1.00 0.00 H new ATOM 0 HB2 LYS A 586 3.041 -17.636 -1.998 1.00 0.00 H new ATOM 0 HB3 LYS A 586 4.295 -18.773 -1.546 1.00 0.00 H new ATOM 0 HG2 LYS A 586 3.258 -19.125 0.655 1.00 0.00 H new ATOM 0 HG3 LYS A 586 2.077 -17.868 0.345 1.00 0.00 H new ATOM 0 HD2 LYS A 586 0.941 -19.922 -0.141 1.00 0.00 H new ATOM 0 HD3 LYS A 586 1.320 -19.226 -1.705 1.00 0.00 H new ATOM 0 HE2 LYS A 586 3.533 -20.710 -1.486 1.00 0.00 H new ATOM 0 HE3 LYS A 586 2.569 -21.619 -0.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 586 2.379 -22.519 -2.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 586 0.878 -21.915 -2.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 586 1.813 -21.034 -3.151 1.00 0.00 H new ATOM 1268 N GLU A 587 5.429 -15.549 -2.515 1.00 0.00 N ATOM 1269 CA GLU A 587 6.477 -15.136 -3.438 1.00 0.00 C ATOM 1270 C GLU A 587 7.293 -14.003 -2.800 1.00 0.00 C ATOM 1271 O GLU A 587 6.831 -13.349 -1.856 1.00 0.00 O ATOM 1272 CB GLU A 587 5.892 -14.822 -4.823 1.00 0.00 C ATOM 1273 CG GLU A 587 5.448 -13.373 -5.029 1.00 0.00 C ATOM 1274 CD GLU A 587 4.205 -13.324 -5.930 1.00 0.00 C ATOM 1275 OE1 GLU A 587 4.189 -13.970 -7.002 1.00 0.00 O ATOM 1276 OE2 GLU A 587 3.169 -12.725 -5.558 1.00 0.00 O ATOM 0 H GLU A 587 4.557 -15.031 -2.619 1.00 0.00 H new ATOM 0 HA GLU A 587 7.179 -15.949 -3.620 1.00 0.00 H new ATOM 0 HB2 GLU A 587 6.638 -15.068 -5.579 1.00 0.00 H new ATOM 0 HB3 GLU A 587 5.037 -15.475 -4.995 1.00 0.00 H new ATOM 0 HG2 GLU A 587 5.227 -12.912 -4.066 1.00 0.00 H new ATOM 0 HG3 GLU A 587 6.256 -12.798 -5.480 1.00 0.00 H new ATOM 1283 N PRO A 588 8.523 -13.769 -3.267 1.00 0.00 N ATOM 1284 CA PRO A 588 9.416 -12.827 -2.639 1.00 0.00 C ATOM 1285 C PRO A 588 9.049 -11.405 -3.033 1.00 0.00 C ATOM 1286 O PRO A 588 8.457 -11.119 -4.072 1.00 0.00 O ATOM 1287 CB PRO A 588 10.823 -13.203 -3.098 1.00 0.00 C ATOM 1288 CG PRO A 588 10.606 -13.921 -4.419 1.00 0.00 C ATOM 1289 CD PRO A 588 9.172 -14.456 -4.357 1.00 0.00 C ATOM 0 HA PRO A 588 9.350 -12.866 -1.552 1.00 0.00 H new ATOM 0 HB2 PRO A 588 11.450 -12.320 -3.223 1.00 0.00 H new ATOM 0 HB3 PRO A 588 11.320 -13.847 -2.372 1.00 0.00 H new ATOM 0 HG2 PRO A 588 10.737 -13.242 -5.262 1.00 0.00 H new ATOM 0 HG3 PRO A 588 11.323 -14.732 -4.549 1.00 0.00 H new ATOM 0 HD2 PRO A 588 8.649 -14.274 -5.296 1.00 0.00 H new ATOM 0 HD3 PRO A 588 9.167 -15.534 -4.194 1.00 0.00 H new ATOM 1297 N VAL A 589 9.538 -10.492 -2.219 1.00 0.00 N ATOM 1298 CA VAL A 589 9.464 -9.056 -2.388 1.00 0.00 C ATOM 1299 C VAL A 589 10.079 -8.635 -3.718 1.00 0.00 C ATOM 1300 O VAL A 589 9.531 -7.832 -4.467 1.00 0.00 O ATOM 1301 CB VAL A 589 10.085 -8.452 -1.136 1.00 0.00 C ATOM 1302 CG1 VAL A 589 11.563 -8.560 -1.066 1.00 0.00 C ATOM 1303 CG2 VAL A 589 9.784 -6.965 -0.921 1.00 0.00 C ATOM 0 H VAL A 589 10.031 -10.752 -1.364 1.00 0.00 H new ATOM 0 HA VAL A 589 8.444 -8.679 -2.467 1.00 0.00 H new ATOM 0 HB VAL A 589 9.610 -9.060 -0.366 1.00 0.00 H new ATOM 0 HG11 VAL A 589 11.918 -8.104 -0.142 1.00 0.00 H new ATOM 0 HG12 VAL A 589 11.852 -9.611 -1.087 1.00 0.00 H new ATOM 0 HG13 VAL A 589 12.006 -8.045 -1.918 1.00 0.00 H new ATOM 0 HG21 VAL A 589 10.268 -6.624 -0.006 1.00 0.00 H new ATOM 0 HG22 VAL A 589 10.163 -6.391 -1.767 1.00 0.00 H new ATOM 0 HG23 VAL A 589 8.707 -6.820 -0.838 1.00 0.00 H new ATOM 1313 N ALA A 590 11.204 -9.262 -4.034 1.00 0.00 N ATOM 1314 CA ALA A 590 11.884 -9.093 -5.308 1.00 0.00 C ATOM 1315 C ALA A 590 10.979 -9.454 -6.500 1.00 0.00 C ATOM 1316 O ALA A 590 11.052 -8.784 -7.535 1.00 0.00 O ATOM 1317 CB ALA A 590 13.153 -9.942 -5.312 1.00 0.00 C ATOM 0 H ALA A 590 11.675 -9.911 -3.403 1.00 0.00 H new ATOM 0 HA ALA A 590 12.144 -8.041 -5.423 1.00 0.00 H new ATOM 0 HB1 ALA A 590 13.669 -9.821 -6.264 1.00 0.00 H new ATOM 0 HB2 ALA A 590 13.808 -9.622 -4.501 1.00 0.00 H new ATOM 0 HB3 ALA A 590 12.890 -10.991 -5.173 1.00 0.00 H new ATOM 1323 N SER A 591 10.142 -10.492 -6.387 1.00 0.00 N ATOM 1324 CA SER A 591 9.242 -10.895 -7.453 1.00 0.00 C ATOM 1325 C SER A 591 8.099 -9.901 -7.572 1.00 0.00 C ATOM 1326 O SER A 591 7.827 -9.403 -8.664 1.00 0.00 O ATOM 1327 CB SER A 591 8.720 -12.286 -7.124 1.00 0.00 C ATOM 1328 OG SER A 591 9.710 -13.255 -7.402 1.00 0.00 O ATOM 0 H SER A 591 10.076 -11.071 -5.550 1.00 0.00 H new ATOM 0 HA SER A 591 9.764 -10.914 -8.410 1.00 0.00 H new ATOM 0 HB2 SER A 591 8.435 -12.337 -6.073 1.00 0.00 H new ATOM 0 HB3 SER A 591 7.823 -12.494 -7.707 1.00 0.00 H new ATOM 0 HG SER A 591 9.289 -14.135 -7.497 1.00 0.00 H new ATOM 1334 N ILE A 592 7.438 -9.569 -6.460 1.00 0.00 N ATOM 1335 CA ILE A 592 6.285 -8.691 -6.544 1.00 0.00 C ATOM 1336 C ILE A 592 6.700 -7.309 -7.059 1.00 0.00 C ATOM 1337 O ILE A 592 5.962 -6.725 -7.845 1.00 0.00 O ATOM 1338 CB ILE A 592 5.487 -8.673 -5.231 1.00 0.00 C ATOM 1339 CG1 ILE A 592 6.160 -7.931 -4.066 1.00 0.00 C ATOM 1340 CG2 ILE A 592 5.200 -10.097 -4.750 1.00 0.00 C ATOM 1341 CD1 ILE A 592 5.330 -6.717 -3.674 1.00 0.00 C ATOM 0 H ILE A 592 7.677 -9.887 -5.521 1.00 0.00 H new ATOM 0 HA ILE A 592 5.586 -9.086 -7.281 1.00 0.00 H new ATOM 0 HB ILE A 592 4.578 -8.130 -5.489 1.00 0.00 H new ATOM 0 HG12 ILE A 592 6.268 -8.600 -3.212 1.00 0.00 H new ATOM 0 HG13 ILE A 592 7.164 -7.618 -4.354 1.00 0.00 H new ATOM 0 HG21 ILE A 592 4.634 -10.060 -3.819 1.00 0.00 H new ATOM 0 HG22 ILE A 592 4.620 -10.626 -5.506 1.00 0.00 H new ATOM 0 HG23 ILE A 592 6.141 -10.621 -4.582 1.00 0.00 H new ATOM 0 HD11 ILE A 592 5.814 -6.197 -2.848 1.00 0.00 H new ATOM 0 HD12 ILE A 592 5.245 -6.044 -4.527 1.00 0.00 H new ATOM 0 HD13 ILE A 592 4.335 -7.040 -3.367 1.00 0.00 H new ATOM 1353 N ILE A 593 7.904 -6.828 -6.722 1.00 0.00 N ATOM 1354 CA ILE A 593 8.452 -5.599 -7.278 1.00 0.00 C ATOM 1355 C ILE A 593 8.538 -5.717 -8.799 1.00 0.00 C ATOM 1356 O ILE A 593 7.976 -4.862 -9.475 1.00 0.00 O ATOM 1357 CB ILE A 593 9.784 -5.230 -6.584 1.00 0.00 C ATOM 1358 CG1 ILE A 593 9.427 -4.631 -5.201 1.00 0.00 C ATOM 1359 CG2 ILE A 593 10.622 -4.255 -7.437 1.00 0.00 C ATOM 1360 CD1 ILE A 593 10.627 -4.365 -4.292 1.00 0.00 C ATOM 0 H ILE A 593 8.522 -7.287 -6.053 1.00 0.00 H new ATOM 0 HA ILE A 593 7.787 -4.760 -7.075 1.00 0.00 H new ATOM 0 HB ILE A 593 10.407 -6.116 -6.461 1.00 0.00 H new ATOM 0 HG12 ILE A 593 8.889 -3.695 -5.353 1.00 0.00 H new ATOM 0 HG13 ILE A 593 8.745 -5.311 -4.690 1.00 0.00 H new ATOM 0 HG21 ILE A 593 11.550 -4.020 -6.915 1.00 0.00 H new ATOM 0 HG22 ILE A 593 10.853 -4.717 -8.397 1.00 0.00 H new ATOM 0 HG23 ILE A 593 10.057 -3.338 -7.602 1.00 0.00 H new ATOM 0 HD11 ILE A 593 10.282 -3.947 -3.347 1.00 0.00 H new ATOM 0 HD12 ILE A 593 11.155 -5.300 -4.104 1.00 0.00 H new ATOM 0 HD13 ILE A 593 11.301 -3.659 -4.777 1.00 0.00 H new ATOM 1372 N THR A 594 9.181 -6.759 -9.344 1.00 0.00 N ATOM 1373 CA THR A 594 9.188 -7.064 -10.780 1.00 0.00 C ATOM 1374 C THR A 594 7.785 -6.918 -11.392 1.00 0.00 C ATOM 1375 O THR A 594 7.614 -6.301 -12.445 1.00 0.00 O ATOM 1376 CB THR A 594 9.870 -8.432 -10.983 1.00 0.00 C ATOM 1377 OG1 THR A 594 11.283 -8.283 -11.053 1.00 0.00 O ATOM 1378 CG2 THR A 594 9.376 -9.224 -12.194 1.00 0.00 C ATOM 0 H THR A 594 9.720 -7.424 -8.789 1.00 0.00 H new ATOM 0 HA THR A 594 9.779 -6.337 -11.338 1.00 0.00 H new ATOM 0 HB THR A 594 9.589 -9.017 -10.107 1.00 0.00 H new ATOM 0 HG1 THR A 594 11.699 -9.161 -11.180 1.00 0.00 H new ATOM 0 HG21 THR A 594 9.913 -10.170 -12.254 1.00 0.00 H new ATOM 0 HG22 THR A 594 8.309 -9.419 -12.091 1.00 0.00 H new ATOM 0 HG23 THR A 594 9.553 -8.648 -13.102 1.00 0.00 H new ATOM 1386 N LYS A 595 6.773 -7.400 -10.683 1.00 0.00 N ATOM 1387 CA LYS A 595 5.385 -7.376 -11.134 1.00 0.00 C ATOM 1388 C LYS A 595 4.840 -5.948 -11.162 1.00 0.00 C ATOM 1389 O LYS A 595 4.225 -5.571 -12.163 1.00 0.00 O ATOM 1390 CB LYS A 595 4.515 -8.324 -10.285 1.00 0.00 C ATOM 1391 CG LYS A 595 3.656 -9.204 -11.206 1.00 0.00 C ATOM 1392 CD LYS A 595 2.781 -10.192 -10.433 1.00 0.00 C ATOM 1393 CE LYS A 595 1.941 -11.050 -11.394 1.00 0.00 C ATOM 1394 NZ LYS A 595 0.489 -10.892 -11.163 1.00 0.00 N ATOM 0 H LYS A 595 6.894 -7.826 -9.764 1.00 0.00 H new ATOM 0 HA LYS A 595 5.348 -7.745 -12.159 1.00 0.00 H new ATOM 0 HB2 LYS A 595 5.149 -8.949 -9.656 1.00 0.00 H new ATOM 0 HB3 LYS A 595 3.875 -7.746 -9.618 1.00 0.00 H new ATOM 0 HG2 LYS A 595 3.021 -8.567 -11.821 1.00 0.00 H new ATOM 0 HG3 LYS A 595 4.307 -9.756 -11.885 1.00 0.00 H new ATOM 0 HD2 LYS A 595 3.409 -10.837 -9.818 1.00 0.00 H new ATOM 0 HD3 LYS A 595 2.123 -9.648 -9.755 1.00 0.00 H new ATOM 0 HE2 LYS A 595 2.175 -10.775 -12.422 1.00 0.00 H new ATOM 0 HE3 LYS A 595 2.214 -12.099 -11.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 595 -0.036 -11.489 -11.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 595 0.259 -11.179 -10.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 595 0.222 -9.897 -11.303 1.00 0.00 H new ATOM 1408 N LEU A 596 5.091 -5.140 -10.122 1.00 0.00 N ATOM 1409 CA LEU A 596 4.734 -3.720 -10.106 1.00 0.00 C ATOM 1410 C LEU A 596 5.405 -2.982 -11.258 1.00 0.00 C ATOM 1411 O LEU A 596 4.785 -2.109 -11.857 1.00 0.00 O ATOM 1412 CB LEU A 596 5.136 -2.995 -8.803 1.00 0.00 C ATOM 1413 CG LEU A 596 4.199 -3.068 -7.585 1.00 0.00 C ATOM 1414 CD1 LEU A 596 2.720 -2.882 -7.925 1.00 0.00 C ATOM 1415 CD2 LEU A 596 4.354 -4.348 -6.783 1.00 0.00 C ATOM 0 H LEU A 596 5.549 -5.457 -9.267 1.00 0.00 H new ATOM 0 HA LEU A 596 3.648 -3.702 -10.194 1.00 0.00 H new ATOM 0 HB2 LEU A 596 6.106 -3.386 -8.495 1.00 0.00 H new ATOM 0 HB3 LEU A 596 5.279 -1.942 -9.044 1.00 0.00 H new ATOM 0 HG LEU A 596 4.520 -2.223 -6.976 1.00 0.00 H new ATOM 0 HD11 LEU A 596 2.126 -2.947 -7.013 1.00 0.00 H new ATOM 0 HD12 LEU A 596 2.573 -1.905 -8.385 1.00 0.00 H new ATOM 0 HD13 LEU A 596 2.405 -3.661 -8.619 1.00 0.00 H new ATOM 0 HD21 LEU A 596 3.664 -4.334 -5.939 1.00 0.00 H new ATOM 0 HD22 LEU A 596 4.132 -5.205 -7.419 1.00 0.00 H new ATOM 0 HD23 LEU A 596 5.377 -4.425 -6.415 1.00 0.00 H new ATOM 1427 N ASN A 597 6.660 -3.291 -11.576 1.00 0.00 N ATOM 1428 CA ASN A 597 7.400 -2.568 -12.618 1.00 0.00 C ATOM 1429 C ASN A 597 6.751 -2.783 -13.982 1.00 0.00 C ATOM 1430 O ASN A 597 6.771 -1.890 -14.823 1.00 0.00 O ATOM 1431 CB ASN A 597 8.866 -3.005 -12.695 1.00 0.00 C ATOM 1432 CG ASN A 597 9.565 -2.950 -11.350 1.00 0.00 C ATOM 1433 OD1 ASN A 597 9.477 -1.974 -10.616 1.00 0.00 O ATOM 1434 ND2 ASN A 597 10.224 -4.026 -10.975 1.00 0.00 N ATOM 0 H ASN A 597 7.190 -4.038 -11.128 1.00 0.00 H new ATOM 0 HA ASN A 597 7.368 -1.512 -12.348 1.00 0.00 H new ATOM 0 HB2 ASN A 597 8.918 -4.021 -13.085 1.00 0.00 H new ATOM 0 HB3 ASN A 597 9.395 -2.365 -13.401 1.00 0.00 H new ATOM 0 HD21 ASN A 597 10.672 -4.056 -10.059 1.00 0.00 H new ATOM 0 HD22 ASN A 597 10.286 -4.830 -11.600 1.00 0.00 H new ATOM 1441 N SER A 598 6.143 -3.950 -14.188 1.00 0.00 N ATOM 1442 CA SER A 598 5.404 -4.321 -15.377 1.00 0.00 C ATOM 1443 C SER A 598 4.006 -3.665 -15.429 1.00 0.00 C ATOM 1444 O SER A 598 3.353 -3.669 -16.474 1.00 0.00 O ATOM 1445 CB SER A 598 5.310 -5.846 -15.329 1.00 0.00 C ATOM 1446 OG SER A 598 6.220 -6.422 -16.248 1.00 0.00 O ATOM 0 H SER A 598 6.158 -4.694 -13.491 1.00 0.00 H new ATOM 0 HA SER A 598 5.906 -3.972 -16.279 1.00 0.00 H new ATOM 0 HB2 SER A 598 5.528 -6.199 -14.321 1.00 0.00 H new ATOM 0 HB3 SER A 598 4.294 -6.162 -15.565 1.00 0.00 H new ATOM 0 HG SER A 598 6.152 -7.399 -16.207 1.00 0.00 H new ATOM 1452 N LEU A 599 3.530 -3.102 -14.317 1.00 0.00 N ATOM 1453 CA LEU A 599 2.366 -2.228 -14.248 1.00 0.00 C ATOM 1454 C LEU A 599 2.821 -0.803 -14.535 1.00 0.00 C ATOM 1455 O LEU A 599 2.135 -0.105 -15.275 1.00 0.00 O ATOM 1456 CB LEU A 599 1.675 -2.279 -12.872 1.00 0.00 C ATOM 1457 CG LEU A 599 1.169 -3.660 -12.444 1.00 0.00 C ATOM 1458 CD1 LEU A 599 0.723 -3.614 -10.985 1.00 0.00 C ATOM 1459 CD2 LEU A 599 0.020 -4.155 -13.329 1.00 0.00 C ATOM 0 H LEU A 599 3.964 -3.251 -13.406 1.00 0.00 H new ATOM 0 HA LEU A 599 1.638 -2.567 -14.985 1.00 0.00 H new ATOM 0 HB2 LEU A 599 2.375 -1.917 -12.119 1.00 0.00 H new ATOM 0 HB3 LEU A 599 0.832 -1.588 -12.881 1.00 0.00 H new ATOM 0 HG LEU A 599 1.993 -4.365 -12.559 1.00 0.00 H new ATOM 0 HD11 LEU A 599 0.364 -4.598 -10.683 1.00 0.00 H new ATOM 0 HD12 LEU A 599 1.566 -3.327 -10.356 1.00 0.00 H new ATOM 0 HD13 LEU A 599 -0.079 -2.884 -10.873 1.00 0.00 H new ATOM 0 HD21 LEU A 599 -0.305 -5.138 -12.987 1.00 0.00 H new ATOM 0 HD22 LEU A 599 -0.814 -3.455 -13.268 1.00 0.00 H new ATOM 0 HD23 LEU A 599 0.360 -4.225 -14.362 1.00 0.00 H new ATOM 1471 N ASN A 600 3.963 -0.391 -13.956 1.00 0.00 N ATOM 1472 CA ASN A 600 4.604 0.929 -14.064 1.00 0.00 C ATOM 1473 C ASN A 600 3.695 2.093 -13.687 1.00 0.00 C ATOM 1474 O ASN A 600 4.053 3.251 -13.902 1.00 0.00 O ATOM 1475 CB ASN A 600 5.409 1.118 -15.374 1.00 0.00 C ATOM 1476 CG ASN A 600 4.771 0.496 -16.603 1.00 0.00 C ATOM 1477 OD1 ASN A 600 4.066 1.150 -17.361 1.00 0.00 O ATOM 1478 ND2 ASN A 600 5.005 -0.793 -16.789 1.00 0.00 N ATOM 0 H ASN A 600 4.500 -1.018 -13.357 1.00 0.00 H new ATOM 0 HA ASN A 600 5.365 0.946 -13.284 1.00 0.00 H new ATOM 0 HB2 ASN A 600 5.544 2.185 -15.551 1.00 0.00 H new ATOM 0 HB3 ASN A 600 6.402 0.689 -15.240 1.00 0.00 H new ATOM 0 HD21 ASN A 600 4.592 -1.276 -17.587 1.00 0.00 H new ATOM 0 HD22 ASN A 600 5.598 -1.303 -16.135 1.00 0.00 H new ATOM 1485 N GLU A 601 2.584 1.787 -13.029 1.00 0.00 N ATOM 1486 CA GLU A 601 1.604 2.715 -12.543 1.00 0.00 C ATOM 1487 C GLU A 601 2.094 3.429 -11.291 1.00 0.00 C ATOM 1488 O GLU A 601 2.931 2.894 -10.562 1.00 0.00 O ATOM 1489 CB GLU A 601 0.326 1.945 -12.174 1.00 0.00 C ATOM 1490 CG GLU A 601 -0.216 1.165 -13.363 1.00 0.00 C ATOM 1491 CD GLU A 601 -1.643 0.656 -13.189 1.00 0.00 C ATOM 1492 OE1 GLU A 601 -2.156 0.562 -12.046 1.00 0.00 O ATOM 1493 OE2 GLU A 601 -2.232 0.295 -14.238 1.00 0.00 O ATOM 0 H GLU A 601 2.340 0.820 -12.814 1.00 0.00 H new ATOM 0 HA GLU A 601 1.416 3.450 -13.326 1.00 0.00 H new ATOM 0 HB2 GLU A 601 0.537 1.260 -11.353 1.00 0.00 H new ATOM 0 HB3 GLU A 601 -0.432 2.644 -11.819 1.00 0.00 H new ATOM 0 HG2 GLU A 601 -0.176 1.801 -14.247 1.00 0.00 H new ATOM 0 HG3 GLU A 601 0.439 0.315 -13.552 1.00 0.00 H new ATOM 1500 N PRO A 602 1.503 4.585 -10.974 1.00 0.00 N ATOM 1501 CA PRO A 602 1.715 5.243 -9.710 1.00 0.00 C ATOM 1502 C PRO A 602 1.020 4.458 -8.600 1.00 0.00 C ATOM 1503 O PRO A 602 -0.110 3.976 -8.752 1.00 0.00 O ATOM 1504 CB PRO A 602 1.163 6.654 -9.888 1.00 0.00 C ATOM 1505 CG PRO A 602 0.144 6.542 -11.020 1.00 0.00 C ATOM 1506 CD PRO A 602 0.571 5.310 -11.813 1.00 0.00 C ATOM 0 HA PRO A 602 2.764 5.293 -9.419 1.00 0.00 H new ATOM 0 HB2 PRO A 602 0.696 7.013 -8.971 1.00 0.00 H new ATOM 0 HB3 PRO A 602 1.956 7.359 -10.139 1.00 0.00 H new ATOM 0 HG2 PRO A 602 -0.868 6.430 -10.631 1.00 0.00 H new ATOM 0 HG3 PRO A 602 0.148 7.435 -11.645 1.00 0.00 H new ATOM 0 HD2 PRO A 602 -0.291 4.690 -12.061 1.00 0.00 H new ATOM 0 HD3 PRO A 602 1.039 5.597 -12.755 1.00 0.00 H new ATOM 1514 N LEU A 603 1.715 4.352 -7.474 1.00 0.00 N ATOM 1515 CA LEU A 603 1.340 3.566 -6.306 1.00 0.00 C ATOM 1516 C LEU A 603 1.345 4.445 -5.060 1.00 0.00 C ATOM 1517 O LEU A 603 2.045 5.463 -5.000 1.00 0.00 O ATOM 1518 CB LEU A 603 2.353 2.428 -6.063 1.00 0.00 C ATOM 1519 CG LEU A 603 2.749 1.567 -7.274 1.00 0.00 C ATOM 1520 CD1 LEU A 603 3.830 0.580 -6.825 1.00 0.00 C ATOM 1521 CD2 LEU A 603 1.559 0.797 -7.851 1.00 0.00 C ATOM 0 H LEU A 603 2.602 4.838 -7.345 1.00 0.00 H new ATOM 0 HA LEU A 603 0.347 3.157 -6.493 1.00 0.00 H new ATOM 0 HB2 LEU A 603 3.261 2.867 -5.650 1.00 0.00 H new ATOM 0 HB3 LEU A 603 1.942 1.768 -5.299 1.00 0.00 H new ATOM 0 HG LEU A 603 3.117 2.225 -8.061 1.00 0.00 H new ATOM 0 HD11 LEU A 603 4.127 -0.043 -7.669 1.00 0.00 H new ATOM 0 HD12 LEU A 603 4.696 1.131 -6.458 1.00 0.00 H new ATOM 0 HD13 LEU A 603 3.437 -0.052 -6.028 1.00 0.00 H new ATOM 0 HD21 LEU A 603 1.889 0.204 -8.704 1.00 0.00 H new ATOM 0 HD22 LEU A 603 1.148 0.137 -7.087 1.00 0.00 H new ATOM 0 HD23 LEU A 603 0.792 1.501 -8.173 1.00 0.00 H new ATOM 1533 N VAL A 604 0.677 3.981 -4.011 1.00 0.00 N ATOM 1534 CA VAL A 604 0.873 4.444 -2.646 1.00 0.00 C ATOM 1535 C VAL A 604 0.881 3.179 -1.780 1.00 0.00 C ATOM 1536 O VAL A 604 -0.089 2.424 -1.754 1.00 0.00 O ATOM 1537 CB VAL A 604 -0.188 5.512 -2.283 1.00 0.00 C ATOM 1538 CG1 VAL A 604 -1.634 5.049 -2.487 1.00 0.00 C ATOM 1539 CG2 VAL A 604 -0.038 6.006 -0.840 1.00 0.00 C ATOM 0 H VAL A 604 -0.034 3.254 -4.090 1.00 0.00 H new ATOM 0 HA VAL A 604 1.815 4.969 -2.485 1.00 0.00 H new ATOM 0 HB VAL A 604 0.008 6.326 -2.981 1.00 0.00 H new ATOM 0 HG11 VAL A 604 -2.316 5.853 -2.211 1.00 0.00 H new ATOM 0 HG12 VAL A 604 -1.788 4.786 -3.534 1.00 0.00 H new ATOM 0 HG13 VAL A 604 -1.829 4.178 -1.862 1.00 0.00 H new ATOM 0 HG21 VAL A 604 -0.803 6.754 -0.630 1.00 0.00 H new ATOM 0 HG22 VAL A 604 -0.153 5.167 -0.154 1.00 0.00 H new ATOM 0 HG23 VAL A 604 0.949 6.450 -0.708 1.00 0.00 H new ATOM 1549 N THR A 605 2.003 2.878 -1.137 1.00 0.00 N ATOM 1550 CA THR A 605 2.124 1.759 -0.206 1.00 0.00 C ATOM 1551 C THR A 605 3.259 2.052 0.778 1.00 0.00 C ATOM 1552 O THR A 605 3.628 3.206 0.997 1.00 0.00 O ATOM 1553 CB THR A 605 2.225 0.402 -0.950 1.00 0.00 C ATOM 1554 OG1 THR A 605 2.033 -0.697 -0.080 1.00 0.00 O ATOM 1555 CG2 THR A 605 3.516 0.182 -1.741 1.00 0.00 C ATOM 0 H THR A 605 2.866 3.410 -1.248 1.00 0.00 H new ATOM 0 HA THR A 605 1.216 1.656 0.389 1.00 0.00 H new ATOM 0 HB THR A 605 1.415 0.459 -1.677 1.00 0.00 H new ATOM 0 HG1 THR A 605 1.239 -1.199 -0.358 1.00 0.00 H new ATOM 0 HG21 THR A 605 3.486 -0.795 -2.223 1.00 0.00 H new ATOM 0 HG22 THR A 605 3.614 0.958 -2.500 1.00 0.00 H new ATOM 0 HG23 THR A 605 4.369 0.227 -1.064 1.00 0.00 H new ATOM 1563 N MET A 606 3.723 1.013 1.451 1.00 0.00 N ATOM 1564 CA MET A 606 4.691 1.000 2.532 1.00 0.00 C ATOM 1565 C MET A 606 5.866 0.085 2.144 1.00 0.00 C ATOM 1566 O MET A 606 5.834 -0.509 1.064 1.00 0.00 O ATOM 1567 CB MET A 606 3.974 0.529 3.807 1.00 0.00 C ATOM 1568 CG MET A 606 2.501 0.923 3.861 1.00 0.00 C ATOM 1569 SD MET A 606 1.380 -0.268 3.077 1.00 0.00 S ATOM 1570 CE MET A 606 -0.057 0.800 2.860 1.00 0.00 C ATOM 0 H MET A 606 3.401 0.070 1.233 1.00 0.00 H new ATOM 0 HA MET A 606 5.103 1.992 2.718 1.00 0.00 H new ATOM 0 HB2 MET A 606 4.054 -0.556 3.879 1.00 0.00 H new ATOM 0 HB3 MET A 606 4.485 0.945 4.676 1.00 0.00 H new ATOM 0 HG2 MET A 606 2.208 1.048 4.904 1.00 0.00 H new ATOM 0 HG3 MET A 606 2.378 1.892 3.378 1.00 0.00 H new ATOM 0 HE1 MET A 606 -0.966 0.201 2.906 1.00 0.00 H new ATOM 0 HE2 MET A 606 -0.076 1.550 3.651 1.00 0.00 H new ATOM 0 HE3 MET A 606 0.001 1.296 1.891 1.00 0.00 H new ATOM 1580 N PRO A 607 6.912 -0.065 2.977 1.00 0.00 N ATOM 1581 CA PRO A 607 7.946 -1.059 2.744 1.00 0.00 C ATOM 1582 C PRO A 607 7.362 -2.474 2.882 1.00 0.00 C ATOM 1583 O PRO A 607 7.414 -3.064 3.954 1.00 0.00 O ATOM 1584 CB PRO A 607 9.074 -0.736 3.735 1.00 0.00 C ATOM 1585 CG PRO A 607 8.502 0.243 4.758 1.00 0.00 C ATOM 1586 CD PRO A 607 7.119 0.621 4.242 1.00 0.00 C ATOM 0 HA PRO A 607 8.350 -1.029 1.732 1.00 0.00 H new ATOM 0 HB2 PRO A 607 9.428 -1.643 4.225 1.00 0.00 H new ATOM 0 HB3 PRO A 607 9.928 -0.299 3.218 1.00 0.00 H new ATOM 0 HG2 PRO A 607 8.439 -0.215 5.745 1.00 0.00 H new ATOM 0 HG3 PRO A 607 9.137 1.123 4.855 1.00 0.00 H new ATOM 0 HD2 PRO A 607 6.352 0.335 4.961 1.00 0.00 H new ATOM 0 HD3 PRO A 607 7.043 1.700 4.108 1.00 0.00 H new ATOM 1594 N ILE A 608 6.790 -3.019 1.803 1.00 0.00 N ATOM 1595 CA ILE A 608 6.125 -4.323 1.779 1.00 0.00 C ATOM 1596 C ILE A 608 6.989 -5.403 2.434 1.00 0.00 C ATOM 1597 O ILE A 608 6.559 -6.031 3.403 1.00 0.00 O ATOM 1598 CB ILE A 608 5.668 -4.682 0.343 1.00 0.00 C ATOM 1599 CG1 ILE A 608 4.495 -3.769 -0.083 1.00 0.00 C ATOM 1600 CG2 ILE A 608 5.268 -6.167 0.225 1.00 0.00 C ATOM 1601 CD1 ILE A 608 4.235 -3.784 -1.592 1.00 0.00 C ATOM 0 H ILE A 608 6.777 -2.550 0.897 1.00 0.00 H new ATOM 0 HA ILE A 608 5.219 -4.265 2.383 1.00 0.00 H new ATOM 0 HB ILE A 608 6.511 -4.518 -0.328 1.00 0.00 H new ATOM 0 HG12 ILE A 608 3.591 -4.084 0.438 1.00 0.00 H new ATOM 0 HG13 ILE A 608 4.705 -2.747 0.233 1.00 0.00 H new ATOM 0 HG21 ILE A 608 4.954 -6.379 -0.797 1.00 0.00 H new ATOM 0 HG22 ILE A 608 6.122 -6.795 0.480 1.00 0.00 H new ATOM 0 HG23 ILE A 608 4.446 -6.378 0.909 1.00 0.00 H new ATOM 0 HD11 ILE A 608 3.400 -3.123 -1.824 1.00 0.00 H new ATOM 0 HD12 ILE A 608 5.126 -3.441 -2.118 1.00 0.00 H new ATOM 0 HD13 ILE A 608 3.994 -4.798 -1.910 1.00 0.00 H new ATOM 1613 N GLY A 609 8.189 -5.638 1.907 1.00 0.00 N ATOM 1614 CA GLY A 609 9.120 -6.636 2.423 1.00 0.00 C ATOM 1615 C GLY A 609 9.765 -6.107 3.692 1.00 0.00 C ATOM 1616 O GLY A 609 10.917 -5.723 3.639 1.00 0.00 O ATOM 0 H GLY A 609 8.546 -5.132 1.097 1.00 0.00 H new ATOM 0 HA2 GLY A 609 8.595 -7.569 2.629 1.00 0.00 H new ATOM 0 HA3 GLY A 609 9.884 -6.858 1.678 1.00 0.00 H new ATOM 1620 N TYR A 610 9.030 -6.050 4.797 1.00 0.00 N ATOM 1621 CA TYR A 610 9.448 -5.601 6.125 1.00 0.00 C ATOM 1622 C TYR A 610 8.928 -6.549 7.209 1.00 0.00 C ATOM 1623 O TYR A 610 9.630 -6.836 8.172 1.00 0.00 O ATOM 1624 CB TYR A 610 8.928 -4.174 6.329 1.00 0.00 C ATOM 1625 CG TYR A 610 9.165 -3.564 7.692 1.00 0.00 C ATOM 1626 CD1 TYR A 610 10.470 -3.256 8.121 1.00 0.00 C ATOM 1627 CD2 TYR A 610 8.066 -3.285 8.524 1.00 0.00 C ATOM 1628 CE1 TYR A 610 10.679 -2.692 9.395 1.00 0.00 C ATOM 1629 CE2 TYR A 610 8.268 -2.738 9.799 1.00 0.00 C ATOM 1630 CZ TYR A 610 9.574 -2.440 10.240 1.00 0.00 C ATOM 1631 OH TYR A 610 9.740 -1.876 11.468 1.00 0.00 O ATOM 0 H TYR A 610 8.052 -6.338 4.790 1.00 0.00 H new ATOM 0 HA TYR A 610 10.535 -5.607 6.200 1.00 0.00 H new ATOM 0 HB2 TYR A 610 9.391 -3.531 5.581 1.00 0.00 H new ATOM 0 HB3 TYR A 610 7.856 -4.169 6.134 1.00 0.00 H new ATOM 0 HD1 TYR A 610 11.311 -3.452 7.473 1.00 0.00 H new ATOM 0 HD2 TYR A 610 7.064 -3.493 8.180 1.00 0.00 H new ATOM 0 HE1 TYR A 610 11.679 -2.453 9.725 1.00 0.00 H new ATOM 0 HE2 TYR A 610 7.423 -2.545 10.444 1.00 0.00 H new ATOM 0 HH TYR A 610 8.868 -1.778 11.904 1.00 0.00 H new ATOM 1641 N VAL A 611 7.736 -7.116 7.029 1.00 0.00 N ATOM 1642 CA VAL A 611 7.059 -7.911 8.056 1.00 0.00 C ATOM 1643 C VAL A 611 6.687 -9.274 7.512 1.00 0.00 C ATOM 1644 O VAL A 611 7.203 -10.282 7.981 1.00 0.00 O ATOM 1645 CB VAL A 611 5.867 -7.186 8.699 1.00 0.00 C ATOM 1646 CG1 VAL A 611 6.348 -6.423 9.935 1.00 0.00 C ATOM 1647 CG2 VAL A 611 5.163 -6.227 7.738 1.00 0.00 C ATOM 0 H VAL A 611 7.208 -7.037 6.160 1.00 0.00 H new ATOM 0 HA VAL A 611 7.769 -8.056 8.870 1.00 0.00 H new ATOM 0 HB VAL A 611 5.136 -7.945 8.977 1.00 0.00 H new ATOM 0 HG11 VAL A 611 5.505 -5.907 10.395 1.00 0.00 H new ATOM 0 HG12 VAL A 611 6.778 -7.124 10.650 1.00 0.00 H new ATOM 0 HG13 VAL A 611 7.104 -5.694 9.642 1.00 0.00 H new ATOM 0 HG21 VAL A 611 4.330 -5.745 8.250 1.00 0.00 H new ATOM 0 HG22 VAL A 611 5.869 -5.468 7.399 1.00 0.00 H new ATOM 0 HG23 VAL A 611 4.788 -6.783 6.879 1.00 0.00 H new ATOM 1657 N THR A 612 5.920 -9.296 6.426 1.00 0.00 N ATOM 1658 CA THR A 612 5.570 -10.497 5.682 1.00 0.00 C ATOM 1659 C THR A 612 6.800 -11.370 5.402 1.00 0.00 C ATOM 1660 O THR A 612 6.705 -12.594 5.487 1.00 0.00 O ATOM 1661 CB THR A 612 4.765 -10.090 4.428 1.00 0.00 C ATOM 1662 OG1 THR A 612 4.676 -11.113 3.466 1.00 0.00 O ATOM 1663 CG2 THR A 612 5.350 -8.861 3.722 1.00 0.00 C ATOM 0 H THR A 612 5.513 -8.450 6.028 1.00 0.00 H new ATOM 0 HA THR A 612 4.925 -11.140 6.280 1.00 0.00 H new ATOM 0 HB THR A 612 3.773 -9.867 4.821 1.00 0.00 H new ATOM 0 HG1 THR A 612 3.911 -10.943 2.877 1.00 0.00 H new ATOM 0 HG21 THR A 612 4.744 -8.621 2.848 1.00 0.00 H new ATOM 0 HG22 THR A 612 5.350 -8.014 4.407 1.00 0.00 H new ATOM 0 HG23 THR A 612 6.372 -9.074 3.408 1.00 0.00 H new ATOM 1671 N HIS A 613 7.977 -10.773 5.167 1.00 0.00 N ATOM 1672 CA HIS A 613 9.221 -11.503 4.927 1.00 0.00 C ATOM 1673 C HIS A 613 10.212 -11.415 6.103 1.00 0.00 C ATOM 1674 O HIS A 613 11.328 -11.904 5.957 1.00 0.00 O ATOM 1675 CB HIS A 613 9.823 -11.039 3.585 1.00 0.00 C ATOM 1676 CG HIS A 613 10.652 -12.093 2.892 1.00 0.00 C ATOM 1677 ND1 HIS A 613 11.398 -13.091 3.496 1.00 0.00 N ATOM 1678 CD2 HIS A 613 10.796 -12.207 1.539 1.00 0.00 C ATOM 1679 CE1 HIS A 613 11.965 -13.821 2.520 1.00 0.00 C ATOM 1680 NE2 HIS A 613 11.611 -13.306 1.324 1.00 0.00 N ATOM 0 H HIS A 613 8.089 -9.760 5.139 1.00 0.00 H new ATOM 0 HA HIS A 613 8.994 -12.567 4.856 1.00 0.00 H new ATOM 0 HB2 HIS A 613 9.014 -10.732 2.922 1.00 0.00 H new ATOM 0 HB3 HIS A 613 10.443 -10.160 3.760 1.00 0.00 H new ATOM 0 HD1 HIS A 613 11.499 -13.244 4.499 1.00 0.00 H new ATOM 0 HD2 HIS A 613 10.361 -11.567 0.786 1.00 0.00 H new ATOM 0 HE1 HIS A 613 12.601 -14.681 2.669 1.00 0.00 H new ATOM 1689 N GLY A 614 9.855 -10.794 7.231 1.00 0.00 N ATOM 1690 CA GLY A 614 10.732 -10.626 8.388 1.00 0.00 C ATOM 1691 C GLY A 614 12.015 -9.875 8.034 1.00 0.00 C ATOM 1692 O GLY A 614 13.104 -10.290 8.434 1.00 0.00 O ATOM 0 H GLY A 614 8.930 -10.387 7.366 1.00 0.00 H new ATOM 0 HA2 GLY A 614 10.200 -10.084 9.170 1.00 0.00 H new ATOM 0 HA3 GLY A 614 10.986 -11.605 8.795 1.00 0.00 H new ATOM 1696 N PHE A 615 11.910 -8.826 7.215 1.00 0.00 N ATOM 1697 CA PHE A 615 13.067 -8.023 6.818 1.00 0.00 C ATOM 1698 C PHE A 615 13.280 -6.891 7.824 1.00 0.00 C ATOM 1699 O PHE A 615 12.388 -6.542 8.593 1.00 0.00 O ATOM 1700 CB PHE A 615 12.808 -7.421 5.434 1.00 0.00 C ATOM 1701 CG PHE A 615 13.082 -8.251 4.194 1.00 0.00 C ATOM 1702 CD1 PHE A 615 13.255 -9.651 4.213 1.00 0.00 C ATOM 1703 CD2 PHE A 615 13.109 -7.591 2.956 1.00 0.00 C ATOM 1704 CE1 PHE A 615 13.336 -10.367 3.000 1.00 0.00 C ATOM 1705 CE2 PHE A 615 13.245 -8.294 1.777 1.00 0.00 C ATOM 1706 CZ PHE A 615 13.239 -9.691 1.769 1.00 0.00 C ATOM 0 H PHE A 615 11.028 -8.512 6.811 1.00 0.00 H new ATOM 0 HA PHE A 615 13.954 -8.655 6.791 1.00 0.00 H new ATOM 0 HB2 PHE A 615 11.761 -7.119 5.400 1.00 0.00 H new ATOM 0 HB3 PHE A 615 13.404 -6.512 5.357 1.00 0.00 H new ATOM 0 HD1 PHE A 615 13.325 -10.174 5.155 1.00 0.00 H new ATOM 0 HD2 PHE A 615 13.022 -6.515 2.926 1.00 0.00 H new ATOM 0 HE1 PHE A 615 13.473 -11.438 3.016 1.00 0.00 H new ATOM 0 HE2 PHE A 615 13.358 -7.757 0.847 1.00 0.00 H new ATOM 0 HZ PHE A 615 13.162 -10.239 0.841 1.00 0.00 H new ATOM 1716 N ASN A 616 14.444 -6.254 7.788 1.00 0.00 N ATOM 1717 CA ASN A 616 14.671 -5.008 8.521 1.00 0.00 C ATOM 1718 C ASN A 616 14.160 -3.827 7.712 1.00 0.00 C ATOM 1719 O ASN A 616 13.976 -3.937 6.500 1.00 0.00 O ATOM 1720 CB ASN A 616 16.165 -4.802 8.772 1.00 0.00 C ATOM 1721 CG ASN A 616 16.786 -5.902 9.625 1.00 0.00 C ATOM 1722 OD1 ASN A 616 16.092 -6.723 10.221 1.00 0.00 O ATOM 1723 ND2 ASN A 616 18.098 -5.923 9.760 1.00 0.00 N ATOM 0 H ASN A 616 15.252 -6.580 7.257 1.00 0.00 H new ATOM 0 HA ASN A 616 14.140 -5.074 9.471 1.00 0.00 H new ATOM 0 HB2 ASN A 616 16.685 -4.756 7.815 1.00 0.00 H new ATOM 0 HB3 ASN A 616 16.315 -3.841 9.264 1.00 0.00 H new ATOM 0 HD21 ASN A 616 18.538 -6.621 10.360 1.00 0.00 H new ATOM 0 HD22 ASN A 616 18.673 -5.241 9.265 1.00 0.00 H new ATOM 1730 N LEU A 617 14.042 -2.655 8.345 1.00 0.00 N ATOM 1731 CA LEU A 617 13.725 -1.402 7.660 1.00 0.00 C ATOM 1732 C LEU A 617 14.770 -1.116 6.576 1.00 0.00 C ATOM 1733 O LEU A 617 14.411 -0.697 5.479 1.00 0.00 O ATOM 1734 CB LEU A 617 13.646 -0.253 8.684 1.00 0.00 C ATOM 1735 CG LEU A 617 13.075 1.062 8.125 1.00 0.00 C ATOM 1736 CD1 LEU A 617 11.575 0.940 7.818 1.00 0.00 C ATOM 1737 CD2 LEU A 617 13.274 2.193 9.140 1.00 0.00 C ATOM 0 H LEU A 617 14.165 -2.551 9.352 1.00 0.00 H new ATOM 0 HA LEU A 617 12.754 -1.489 7.172 1.00 0.00 H new ATOM 0 HB2 LEU A 617 13.030 -0.574 9.524 1.00 0.00 H new ATOM 0 HB3 LEU A 617 14.645 -0.063 9.076 1.00 0.00 H new ATOM 0 HG LEU A 617 13.608 1.282 7.200 1.00 0.00 H new ATOM 0 HD11 LEU A 617 11.206 1.887 7.425 1.00 0.00 H new ATOM 0 HD12 LEU A 617 11.418 0.155 7.079 1.00 0.00 H new ATOM 0 HD13 LEU A 617 11.036 0.691 8.732 1.00 0.00 H new ATOM 0 HD21 LEU A 617 12.867 3.120 8.736 1.00 0.00 H new ATOM 0 HD22 LEU A 617 12.759 1.944 10.068 1.00 0.00 H new ATOM 0 HD23 LEU A 617 14.338 2.320 9.339 1.00 0.00 H new ATOM 1749 N GLU A 618 16.046 -1.388 6.863 1.00 0.00 N ATOM 1750 CA GLU A 618 17.159 -1.254 5.928 1.00 0.00 C ATOM 1751 C GLU A 618 16.977 -2.156 4.704 1.00 0.00 C ATOM 1752 O GLU A 618 17.150 -1.709 3.572 1.00 0.00 O ATOM 1753 CB GLU A 618 18.458 -1.587 6.675 1.00 0.00 C ATOM 1754 CG GLU A 618 19.722 -1.314 5.850 1.00 0.00 C ATOM 1755 CD GLU A 618 20.976 -1.624 6.667 1.00 0.00 C ATOM 1756 OE1 GLU A 618 21.344 -2.821 6.757 1.00 0.00 O ATOM 1757 OE2 GLU A 618 21.592 -0.702 7.240 1.00 0.00 O ATOM 0 H GLU A 618 16.339 -1.718 7.783 1.00 0.00 H new ATOM 0 HA GLU A 618 17.199 -0.231 5.554 1.00 0.00 H new ATOM 0 HB2 GLU A 618 18.500 -1.003 7.594 1.00 0.00 H new ATOM 0 HB3 GLU A 618 18.442 -2.637 6.965 1.00 0.00 H new ATOM 0 HG2 GLU A 618 19.711 -1.923 4.946 1.00 0.00 H new ATOM 0 HG3 GLU A 618 19.737 -0.271 5.532 1.00 0.00 H new ATOM 1764 N GLU A 619 16.644 -3.428 4.916 1.00 0.00 N ATOM 1765 CA GLU A 619 16.543 -4.431 3.857 1.00 0.00 C ATOM 1766 C GLU A 619 15.315 -4.158 2.997 1.00 0.00 C ATOM 1767 O GLU A 619 15.371 -4.243 1.771 1.00 0.00 O ATOM 1768 CB GLU A 619 16.448 -5.836 4.457 1.00 0.00 C ATOM 1769 CG GLU A 619 17.668 -6.150 5.343 1.00 0.00 C ATOM 1770 CD GLU A 619 17.523 -7.461 6.109 1.00 0.00 C ATOM 1771 OE1 GLU A 619 16.385 -7.866 6.432 1.00 0.00 O ATOM 1772 OE2 GLU A 619 18.562 -8.114 6.364 1.00 0.00 O ATOM 0 H GLU A 619 16.433 -3.797 5.843 1.00 0.00 H new ATOM 0 HA GLU A 619 17.438 -4.372 3.238 1.00 0.00 H new ATOM 0 HB2 GLU A 619 15.536 -5.921 5.047 1.00 0.00 H new ATOM 0 HB3 GLU A 619 16.379 -6.572 3.656 1.00 0.00 H new ATOM 0 HG2 GLU A 619 18.561 -6.196 4.720 1.00 0.00 H new ATOM 0 HG3 GLU A 619 17.815 -5.335 6.052 1.00 0.00 H new ATOM 1779 N ALA A 620 14.214 -3.781 3.640 1.00 0.00 N ATOM 1780 CA ALA A 620 12.987 -3.360 2.999 1.00 0.00 C ATOM 1781 C ALA A 620 13.255 -2.120 2.150 1.00 0.00 C ATOM 1782 O ALA A 620 12.847 -2.075 0.993 1.00 0.00 O ATOM 1783 CB ALA A 620 11.962 -3.083 4.108 1.00 0.00 C ATOM 0 H ALA A 620 14.157 -3.762 4.658 1.00 0.00 H new ATOM 0 HA ALA A 620 12.597 -4.129 2.332 1.00 0.00 H new ATOM 0 HB1 ALA A 620 11.021 -2.762 3.662 1.00 0.00 H new ATOM 0 HB2 ALA A 620 11.798 -3.992 4.687 1.00 0.00 H new ATOM 0 HB3 ALA A 620 12.339 -2.298 4.764 1.00 0.00 H new ATOM 1789 N ALA A 621 13.969 -1.126 2.685 1.00 0.00 N ATOM 1790 CA ALA A 621 14.398 0.044 1.934 1.00 0.00 C ATOM 1791 C ALA A 621 15.244 -0.385 0.731 1.00 0.00 C ATOM 1792 O ALA A 621 14.919 -0.005 -0.390 1.00 0.00 O ATOM 1793 CB ALA A 621 15.158 1.010 2.853 1.00 0.00 C ATOM 0 H ALA A 621 14.265 -1.116 3.661 1.00 0.00 H new ATOM 0 HA ALA A 621 13.524 0.572 1.551 1.00 0.00 H new ATOM 0 HB1 ALA A 621 15.475 1.882 2.282 1.00 0.00 H new ATOM 0 HB2 ALA A 621 14.506 1.327 3.667 1.00 0.00 H new ATOM 0 HB3 ALA A 621 16.034 0.508 3.264 1.00 0.00 H new ATOM 1799 N ARG A 622 16.276 -1.218 0.932 1.00 0.00 N ATOM 1800 CA ARG A 622 17.153 -1.723 -0.135 1.00 0.00 C ATOM 1801 C ARG A 622 16.342 -2.334 -1.266 1.00 0.00 C ATOM 1802 O ARG A 622 16.591 -2.044 -2.437 1.00 0.00 O ATOM 1803 CB ARG A 622 18.105 -2.796 0.387 1.00 0.00 C ATOM 1804 CG ARG A 622 19.289 -2.209 1.141 1.00 0.00 C ATOM 1805 CD ARG A 622 19.830 -3.253 2.104 1.00 0.00 C ATOM 1806 NE ARG A 622 21.272 -3.106 2.336 1.00 0.00 N ATOM 1807 CZ ARG A 622 22.222 -3.826 1.733 1.00 0.00 C ATOM 1808 NH1 ARG A 622 21.960 -4.667 0.733 1.00 0.00 N ATOM 1809 NH2 ARG A 622 23.475 -3.705 2.131 1.00 0.00 N ATOM 0 H ARG A 622 16.529 -1.566 1.857 1.00 0.00 H new ATOM 0 HA ARG A 622 17.722 -0.867 -0.498 1.00 0.00 H new ATOM 0 HB2 ARG A 622 17.559 -3.472 1.045 1.00 0.00 H new ATOM 0 HB3 ARG A 622 18.470 -3.391 -0.450 1.00 0.00 H new ATOM 0 HG2 ARG A 622 20.067 -1.904 0.441 1.00 0.00 H new ATOM 0 HG3 ARG A 622 18.983 -1.316 1.687 1.00 0.00 H new ATOM 0 HD2 ARG A 622 19.302 -3.175 3.054 1.00 0.00 H new ATOM 0 HD3 ARG A 622 19.628 -4.248 1.708 1.00 0.00 H new ATOM 0 HE ARG A 622 21.571 -2.400 3.009 1.00 0.00 H new ATOM 0 HH11 ARG A 622 21.003 -4.780 0.399 1.00 0.00 H new ATOM 0 HH12 ARG A 622 22.717 -5.197 0.301 1.00 0.00 H new ATOM 0 HH21 ARG A 622 23.709 -3.067 2.891 1.00 0.00 H new ATOM 0 HH22 ARG A 622 24.209 -4.250 1.678 1.00 0.00 H new ATOM 1823 N CYS A 623 15.405 -3.198 -0.895 1.00 0.00 N ATOM 1824 CA CYS A 623 14.491 -3.874 -1.784 1.00 0.00 C ATOM 1825 C CYS A 623 13.646 -2.865 -2.551 1.00 0.00 C ATOM 1826 O CYS A 623 13.460 -3.018 -3.752 1.00 0.00 O ATOM 1827 CB CYS A 623 13.662 -4.833 -0.924 1.00 0.00 C ATOM 1828 SG CYS A 623 14.736 -6.254 -0.594 1.00 0.00 S ATOM 0 H CYS A 623 15.262 -3.453 0.082 1.00 0.00 H new ATOM 0 HA CYS A 623 15.016 -4.447 -2.549 1.00 0.00 H new ATOM 0 HB2 CYS A 623 13.350 -4.355 0.004 1.00 0.00 H new ATOM 0 HB3 CYS A 623 12.755 -5.141 -1.445 1.00 0.00 H new ATOM 0 HG CYS A 623 15.430 -6.032 0.483 1.00 0.00 H new ATOM 1834 N MET A 624 13.152 -1.826 -1.890 1.00 0.00 N ATOM 1835 CA MET A 624 12.304 -0.816 -2.506 1.00 0.00 C ATOM 1836 C MET A 624 13.078 0.073 -3.485 1.00 0.00 C ATOM 1837 O MET A 624 12.512 0.440 -4.504 1.00 0.00 O ATOM 1838 CB MET A 624 11.615 -0.016 -1.408 1.00 0.00 C ATOM 1839 CG MET A 624 10.634 -0.906 -0.620 1.00 0.00 C ATOM 1840 SD MET A 624 8.908 -0.825 -1.138 1.00 0.00 S ATOM 1841 CE MET A 624 8.600 0.863 -0.573 1.00 0.00 C ATOM 0 H MET A 624 13.331 -1.660 -0.900 1.00 0.00 H new ATOM 0 HA MET A 624 11.543 -1.309 -3.111 1.00 0.00 H new ATOM 0 HB2 MET A 624 12.361 0.399 -0.731 1.00 0.00 H new ATOM 0 HB3 MET A 624 11.079 0.826 -1.846 1.00 0.00 H new ATOM 0 HG2 MET A 624 10.969 -1.940 -0.698 1.00 0.00 H new ATOM 0 HG3 MET A 624 10.690 -0.632 0.433 1.00 0.00 H new ATOM 0 HE1 MET A 624 7.531 1.070 -0.612 1.00 0.00 H new ATOM 0 HE2 MET A 624 8.954 0.974 0.452 1.00 0.00 H new ATOM 0 HE3 MET A 624 9.130 1.565 -1.217 1.00 0.00 H new ATOM 1851 N ARG A 625 14.377 0.339 -3.294 1.00 0.00 N ATOM 1852 CA ARG A 625 15.217 0.931 -4.354 1.00 0.00 C ATOM 1853 C ARG A 625 15.236 0.102 -5.648 1.00 0.00 C ATOM 1854 O ARG A 625 15.580 0.614 -6.710 1.00 0.00 O ATOM 1855 CB ARG A 625 16.660 1.113 -3.870 1.00 0.00 C ATOM 1856 CG ARG A 625 16.756 1.918 -2.572 1.00 0.00 C ATOM 1857 CD ARG A 625 18.194 2.224 -2.166 1.00 0.00 C ATOM 1858 NE ARG A 625 19.058 1.043 -1.964 1.00 0.00 N ATOM 1859 CZ ARG A 625 20.210 1.021 -1.272 1.00 0.00 C ATOM 1860 NH1 ARG A 625 20.653 2.071 -0.587 1.00 0.00 N ATOM 1861 NH2 ARG A 625 20.962 -0.074 -1.292 1.00 0.00 N ATOM 0 H ARG A 625 14.871 0.156 -2.421 1.00 0.00 H new ATOM 0 HA ARG A 625 14.765 1.897 -4.579 1.00 0.00 H new ATOM 0 HB2 ARG A 625 17.113 0.133 -3.718 1.00 0.00 H new ATOM 0 HB3 ARG A 625 17.238 1.615 -4.646 1.00 0.00 H new ATOM 0 HG2 ARG A 625 16.211 2.854 -2.690 1.00 0.00 H new ATOM 0 HG3 ARG A 625 16.268 1.364 -1.770 1.00 0.00 H new ATOM 0 HD2 ARG A 625 18.644 2.856 -2.932 1.00 0.00 H new ATOM 0 HD3 ARG A 625 18.178 2.804 -1.243 1.00 0.00 H new ATOM 0 HE ARG A 625 18.753 0.166 -2.387 1.00 0.00 H new ATOM 0 HH11 ARG A 625 20.113 2.936 -0.573 1.00 0.00 H new ATOM 0 HH12 ARG A 625 21.533 2.011 -0.075 1.00 0.00 H new ATOM 0 HH21 ARG A 625 20.663 -0.888 -1.829 1.00 0.00 H new ATOM 0 HH22 ARG A 625 21.838 -0.101 -0.770 1.00 0.00 H new ATOM 1875 N SER A 626 14.903 -1.188 -5.583 1.00 0.00 N ATOM 1876 CA SER A 626 14.747 -2.064 -6.749 1.00 0.00 C ATOM 1877 C SER A 626 13.417 -1.830 -7.505 1.00 0.00 C ATOM 1878 O SER A 626 13.187 -2.450 -8.552 1.00 0.00 O ATOM 1879 CB SER A 626 14.890 -3.524 -6.293 1.00 0.00 C ATOM 1880 OG SER A 626 15.722 -4.287 -7.150 1.00 0.00 O ATOM 0 H SER A 626 14.730 -1.665 -4.698 1.00 0.00 H new ATOM 0 HA SER A 626 15.532 -1.824 -7.466 1.00 0.00 H new ATOM 0 HB2 SER A 626 15.299 -3.546 -5.283 1.00 0.00 H new ATOM 0 HB3 SER A 626 13.903 -3.984 -6.248 1.00 0.00 H new ATOM 0 HG SER A 626 15.781 -5.206 -6.815 1.00 0.00 H new ATOM 1886 N LEU A 627 12.513 -0.991 -6.979 1.00 0.00 N ATOM 1887 CA LEU A 627 11.213 -0.677 -7.564 1.00 0.00 C ATOM 1888 C LEU A 627 11.349 0.482 -8.540 1.00 0.00 C ATOM 1889 O LEU A 627 12.034 1.473 -8.272 1.00 0.00 O ATOM 1890 CB LEU A 627 10.221 -0.318 -6.444 1.00 0.00 C ATOM 1891 CG LEU A 627 8.785 -0.010 -6.897 1.00 0.00 C ATOM 1892 CD1 LEU A 627 8.053 -1.230 -7.463 1.00 0.00 C ATOM 1893 CD2 LEU A 627 7.994 0.511 -5.694 1.00 0.00 C ATOM 0 H LEU A 627 12.679 -0.497 -6.102 1.00 0.00 H new ATOM 0 HA LEU A 627 10.840 -1.546 -8.106 1.00 0.00 H new ATOM 0 HB2 LEU A 627 10.189 -1.145 -5.734 1.00 0.00 H new ATOM 0 HB3 LEU A 627 10.606 0.549 -5.907 1.00 0.00 H new ATOM 0 HG LEU A 627 8.853 0.728 -7.696 1.00 0.00 H new ATOM 0 HD11 LEU A 627 7.045 -0.943 -7.763 1.00 0.00 H new ATOM 0 HD12 LEU A 627 8.595 -1.610 -8.329 1.00 0.00 H new ATOM 0 HD13 LEU A 627 7.997 -2.007 -6.700 1.00 0.00 H new ATOM 0 HD21 LEU A 627 6.972 0.734 -6.000 1.00 0.00 H new ATOM 0 HD22 LEU A 627 7.981 -0.247 -4.911 1.00 0.00 H new ATOM 0 HD23 LEU A 627 8.465 1.417 -5.314 1.00 0.00 H new ATOM 1905 N LYS A 628 10.643 0.374 -9.661 1.00 0.00 N ATOM 1906 CA LYS A 628 10.739 1.258 -10.816 1.00 0.00 C ATOM 1907 C LYS A 628 9.395 1.922 -11.125 1.00 0.00 C ATOM 1908 O LYS A 628 9.341 2.803 -11.984 1.00 0.00 O ATOM 1909 CB LYS A 628 11.259 0.444 -12.020 1.00 0.00 C ATOM 1910 CG LYS A 628 12.530 -0.401 -11.755 1.00 0.00 C ATOM 1911 CD LYS A 628 13.845 0.363 -11.976 1.00 0.00 C ATOM 1912 CE LYS A 628 14.017 1.490 -10.950 1.00 0.00 C ATOM 1913 NZ LYS A 628 15.368 2.088 -10.976 1.00 0.00 N ATOM 0 H LYS A 628 9.956 -0.368 -9.794 1.00 0.00 H new ATOM 0 HA LYS A 628 11.439 2.065 -10.598 1.00 0.00 H new ATOM 0 HB2 LYS A 628 10.465 -0.222 -12.356 1.00 0.00 H new ATOM 0 HB3 LYS A 628 11.466 1.132 -12.840 1.00 0.00 H new ATOM 0 HG2 LYS A 628 12.503 -0.768 -10.729 1.00 0.00 H new ATOM 0 HG3 LYS A 628 12.515 -1.275 -12.406 1.00 0.00 H new ATOM 0 HD2 LYS A 628 14.685 -0.328 -11.904 1.00 0.00 H new ATOM 0 HD3 LYS A 628 13.860 0.780 -12.983 1.00 0.00 H new ATOM 0 HE2 LYS A 628 13.277 2.267 -11.143 1.00 0.00 H new ATOM 0 HE3 LYS A 628 13.817 1.100 -9.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 628 15.427 2.843 -10.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 628 16.076 1.356 -10.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 628 15.553 2.486 -11.919 1.00 0.00 H new ATOM 1927 N ALA A 629 8.309 1.495 -10.479 1.00 0.00 N ATOM 1928 CA ALA A 629 7.002 2.129 -10.568 1.00 0.00 C ATOM 1929 C ALA A 629 6.915 3.200 -9.467 1.00 0.00 C ATOM 1930 O ALA A 629 7.340 2.907 -8.346 1.00 0.00 O ATOM 1931 CB ALA A 629 5.928 1.056 -10.376 1.00 0.00 C ATOM 0 H ALA A 629 8.319 0.680 -9.866 1.00 0.00 H new ATOM 0 HA ALA A 629 6.852 2.603 -11.538 1.00 0.00 H new ATOM 0 HB1 ALA A 629 4.941 1.514 -10.440 1.00 0.00 H new ATOM 0 HB2 ALA A 629 6.028 0.298 -11.153 1.00 0.00 H new ATOM 0 HB3 ALA A 629 6.050 0.590 -9.398 1.00 0.00 H new ATOM 1937 N PRO A 630 6.390 4.410 -9.741 1.00 0.00 N ATOM 1938 CA PRO A 630 6.390 5.502 -8.781 1.00 0.00 C ATOM 1939 C PRO A 630 5.598 5.134 -7.546 1.00 0.00 C ATOM 1940 O PRO A 630 4.446 4.719 -7.631 1.00 0.00 O ATOM 1941 CB PRO A 630 5.765 6.721 -9.450 1.00 0.00 C ATOM 1942 CG PRO A 630 5.306 6.253 -10.822 1.00 0.00 C ATOM 1943 CD PRO A 630 5.873 4.850 -11.020 1.00 0.00 C ATOM 0 HA PRO A 630 7.413 5.715 -8.471 1.00 0.00 H new ATOM 0 HB2 PRO A 630 4.927 7.100 -8.866 1.00 0.00 H new ATOM 0 HB3 PRO A 630 6.487 7.533 -9.536 1.00 0.00 H new ATOM 0 HG2 PRO A 630 4.218 6.243 -10.883 1.00 0.00 H new ATOM 0 HG3 PRO A 630 5.663 6.928 -11.600 1.00 0.00 H new ATOM 0 HD2 PRO A 630 5.099 4.170 -11.376 1.00 0.00 H new ATOM 0 HD3 PRO A 630 6.662 4.857 -11.772 1.00 0.00 H new ATOM 1951 N ALA A 631 6.170 5.375 -6.380 1.00 0.00 N ATOM 1952 CA ALA A 631 5.648 4.888 -5.124 1.00 0.00 C ATOM 1953 C ALA A 631 5.887 5.928 -4.048 1.00 0.00 C ATOM 1954 O ALA A 631 7.023 6.133 -3.617 1.00 0.00 O ATOM 1955 CB ALA A 631 6.301 3.546 -4.781 1.00 0.00 C ATOM 0 H ALA A 631 7.024 5.924 -6.282 1.00 0.00 H new ATOM 0 HA ALA A 631 4.573 4.721 -5.197 1.00 0.00 H new ATOM 0 HB1 ALA A 631 5.906 3.181 -3.833 1.00 0.00 H new ATOM 0 HB2 ALA A 631 6.083 2.824 -5.568 1.00 0.00 H new ATOM 0 HB3 ALA A 631 7.380 3.677 -4.698 1.00 0.00 H new ATOM 1961 N VAL A 632 4.803 6.557 -3.604 1.00 0.00 N ATOM 1962 CA VAL A 632 4.748 7.123 -2.261 1.00 0.00 C ATOM 1963 C VAL A 632 4.999 5.953 -1.307 1.00 0.00 C ATOM 1964 O VAL A 632 4.399 4.883 -1.481 1.00 0.00 O ATOM 1965 CB VAL A 632 3.385 7.815 -2.041 1.00 0.00 C ATOM 1966 CG1 VAL A 632 3.112 8.217 -0.586 1.00 0.00 C ATOM 1967 CG2 VAL A 632 3.315 9.094 -2.883 1.00 0.00 C ATOM 0 H VAL A 632 3.953 6.687 -4.153 1.00 0.00 H new ATOM 0 HA VAL A 632 5.496 7.897 -2.091 1.00 0.00 H new ATOM 0 HB VAL A 632 2.636 7.078 -2.333 1.00 0.00 H new ATOM 0 HG11 VAL A 632 2.135 8.696 -0.518 1.00 0.00 H new ATOM 0 HG12 VAL A 632 3.125 7.329 0.045 1.00 0.00 H new ATOM 0 HG13 VAL A 632 3.881 8.912 -0.250 1.00 0.00 H new ATOM 0 HG21 VAL A 632 2.352 9.581 -2.726 1.00 0.00 H new ATOM 0 HG22 VAL A 632 4.116 9.770 -2.585 1.00 0.00 H new ATOM 0 HG23 VAL A 632 3.427 8.842 -3.938 1.00 0.00 H new ATOM 1977 N VAL A 633 5.912 6.134 -0.356 1.00 0.00 N ATOM 1978 CA VAL A 633 6.201 5.185 0.714 1.00 0.00 C ATOM 1979 C VAL A 633 5.702 5.811 1.998 1.00 0.00 C ATOM 1980 O VAL A 633 5.601 7.033 2.095 1.00 0.00 O ATOM 1981 CB VAL A 633 7.705 4.831 0.775 1.00 0.00 C ATOM 1982 CG1 VAL A 633 7.968 3.664 1.744 1.00 0.00 C ATOM 1983 CG2 VAL A 633 8.265 4.418 -0.591 1.00 0.00 C ATOM 0 H VAL A 633 6.490 6.973 -0.308 1.00 0.00 H new ATOM 0 HA VAL A 633 5.695 4.236 0.538 1.00 0.00 H new ATOM 0 HB VAL A 633 8.201 5.739 1.117 1.00 0.00 H new ATOM 0 HG11 VAL A 633 9.035 3.440 1.763 1.00 0.00 H new ATOM 0 HG12 VAL A 633 7.637 3.941 2.745 1.00 0.00 H new ATOM 0 HG13 VAL A 633 7.419 2.783 1.411 1.00 0.00 H new ATOM 0 HG21 VAL A 633 9.324 4.180 -0.493 1.00 0.00 H new ATOM 0 HG22 VAL A 633 7.728 3.542 -0.955 1.00 0.00 H new ATOM 0 HG23 VAL A 633 8.141 5.238 -1.298 1.00 0.00 H new ATOM 1993 N SER A 634 5.406 4.990 2.994 1.00 0.00 N ATOM 1994 CA SER A 634 4.978 5.505 4.270 1.00 0.00 C ATOM 1995 C SER A 634 5.372 4.551 5.382 1.00 0.00 C ATOM 1996 O SER A 634 5.466 3.338 5.167 1.00 0.00 O ATOM 1997 CB SER A 634 3.475 5.731 4.175 1.00 0.00 C ATOM 1998 OG SER A 634 3.024 6.583 5.202 1.00 0.00 O ATOM 0 H SER A 634 5.456 3.973 2.937 1.00 0.00 H new ATOM 0 HA SER A 634 5.463 6.450 4.513 1.00 0.00 H new ATOM 0 HB2 SER A 634 3.230 6.164 3.205 1.00 0.00 H new ATOM 0 HB3 SER A 634 2.956 4.775 4.237 1.00 0.00 H new ATOM 0 HG SER A 634 2.571 6.053 5.891 1.00 0.00 H new ATOM 2004 N VAL A 635 5.581 5.106 6.572 1.00 0.00 N ATOM 2005 CA VAL A 635 6.005 4.375 7.750 1.00 0.00 C ATOM 2006 C VAL A 635 5.221 4.866 8.958 1.00 0.00 C ATOM 2007 O VAL A 635 4.977 6.063 9.124 1.00 0.00 O ATOM 2008 CB VAL A 635 7.532 4.463 7.963 1.00 0.00 C ATOM 2009 CG1 VAL A 635 8.289 3.409 7.148 1.00 0.00 C ATOM 2010 CG2 VAL A 635 8.117 5.839 7.637 1.00 0.00 C ATOM 0 H VAL A 635 5.455 6.104 6.743 1.00 0.00 H new ATOM 0 HA VAL A 635 5.788 3.316 7.607 1.00 0.00 H new ATOM 0 HB VAL A 635 7.668 4.277 9.028 1.00 0.00 H new ATOM 0 HG11 VAL A 635 9.359 3.509 7.329 1.00 0.00 H new ATOM 0 HG12 VAL A 635 7.961 2.413 7.447 1.00 0.00 H new ATOM 0 HG13 VAL A 635 8.086 3.554 6.087 1.00 0.00 H new ATOM 0 HG21 VAL A 635 9.193 5.827 7.810 1.00 0.00 H new ATOM 0 HG22 VAL A 635 7.920 6.080 6.592 1.00 0.00 H new ATOM 0 HG23 VAL A 635 7.655 6.591 8.276 1.00 0.00 H new ATOM 2020 N SER A 636 4.851 3.924 9.822 1.00 0.00 N ATOM 2021 CA SER A 636 4.111 4.173 11.050 1.00 0.00 C ATOM 2022 C SER A 636 4.941 4.856 12.146 1.00 0.00 C ATOM 2023 O SER A 636 4.492 4.875 13.293 1.00 0.00 O ATOM 2024 CB SER A 636 3.504 2.853 11.533 1.00 0.00 C ATOM 2025 OG SER A 636 2.543 2.422 10.585 1.00 0.00 O ATOM 0 H SER A 636 5.066 2.937 9.680 1.00 0.00 H new ATOM 0 HA SER A 636 3.319 4.887 10.825 1.00 0.00 H new ATOM 0 HB2 SER A 636 4.283 2.100 11.651 1.00 0.00 H new ATOM 0 HB3 SER A 636 3.038 2.986 12.510 1.00 0.00 H new ATOM 0 HG SER A 636 2.147 1.576 10.882 1.00 0.00 H new ATOM 2031 N SER A 637 6.114 5.426 11.851 1.00 0.00 N ATOM 2032 CA SER A 637 6.683 6.421 12.753 1.00 0.00 C ATOM 2033 C SER A 637 7.335 7.578 11.982 1.00 0.00 C ATOM 2034 O SER A 637 7.965 7.349 10.947 1.00 0.00 O ATOM 2035 CB SER A 637 7.642 5.766 13.757 1.00 0.00 C ATOM 2036 OG SER A 637 8.438 4.736 13.192 1.00 0.00 O ATOM 0 H SER A 637 6.670 5.222 11.021 1.00 0.00 H new ATOM 0 HA SER A 637 5.869 6.860 13.329 1.00 0.00 H new ATOM 0 HB2 SER A 637 8.296 6.531 14.175 1.00 0.00 H new ATOM 0 HB3 SER A 637 7.064 5.355 14.584 1.00 0.00 H new ATOM 0 HG SER A 637 9.026 4.362 13.881 1.00 0.00 H new ATOM 2042 N PRO A 638 7.261 8.820 12.499 1.00 0.00 N ATOM 2043 CA PRO A 638 7.911 9.986 11.909 1.00 0.00 C ATOM 2044 C PRO A 638 9.431 9.845 11.951 1.00 0.00 C ATOM 2045 O PRO A 638 10.107 10.228 10.996 1.00 0.00 O ATOM 2046 CB PRO A 638 7.431 11.182 12.732 1.00 0.00 C ATOM 2047 CG PRO A 638 7.083 10.581 14.090 1.00 0.00 C ATOM 2048 CD PRO A 638 6.575 9.194 13.723 1.00 0.00 C ATOM 0 HA PRO A 638 7.655 10.104 10.856 1.00 0.00 H new ATOM 0 HB2 PRO A 638 8.206 11.943 12.819 1.00 0.00 H new ATOM 0 HB3 PRO A 638 6.565 11.660 12.274 1.00 0.00 H new ATOM 0 HG2 PRO A 638 7.952 10.533 14.746 1.00 0.00 H new ATOM 0 HG3 PRO A 638 6.324 11.166 14.609 1.00 0.00 H new ATOM 0 HD2 PRO A 638 6.784 8.480 14.520 1.00 0.00 H new ATOM 0 HD3 PRO A 638 5.495 9.202 13.577 1.00 0.00 H new ATOM 2056 N ASP A 639 9.963 9.227 13.008 1.00 0.00 N ATOM 2057 CA ASP A 639 11.380 8.898 13.145 1.00 0.00 C ATOM 2058 C ASP A 639 11.841 8.033 11.974 1.00 0.00 C ATOM 2059 O ASP A 639 12.977 8.135 11.522 1.00 0.00 O ATOM 2060 CB ASP A 639 11.605 8.080 14.423 1.00 0.00 C ATOM 2061 CG ASP A 639 11.934 8.881 15.674 1.00 0.00 C ATOM 2062 OD1 ASP A 639 11.341 9.958 15.894 1.00 0.00 O ATOM 2063 OD2 ASP A 639 12.718 8.354 16.498 1.00 0.00 O ATOM 0 H ASP A 639 9.405 8.935 13.811 1.00 0.00 H new ATOM 0 HA ASP A 639 11.938 9.834 13.174 1.00 0.00 H new ATOM 0 HB2 ASP A 639 10.709 7.491 14.617 1.00 0.00 H new ATOM 0 HB3 ASP A 639 12.416 7.375 14.242 1.00 0.00 H new ATOM 2068 N ALA A 640 10.966 7.159 11.487 1.00 0.00 N ATOM 2069 CA ALA A 640 11.309 6.140 10.518 1.00 0.00 C ATOM 2070 C ALA A 640 11.286 6.718 9.116 1.00 0.00 C ATOM 2071 O ALA A 640 12.010 6.199 8.282 1.00 0.00 O ATOM 2072 CB ALA A 640 10.380 4.928 10.622 1.00 0.00 C ATOM 0 H ALA A 640 9.984 7.144 11.763 1.00 0.00 H new ATOM 0 HA ALA A 640 12.319 5.795 10.738 1.00 0.00 H new ATOM 0 HB1 ALA A 640 10.668 4.184 9.879 1.00 0.00 H new ATOM 0 HB2 ALA A 640 10.458 4.494 11.619 1.00 0.00 H new ATOM 0 HB3 ALA A 640 9.352 5.241 10.442 1.00 0.00 H new ATOM 2078 N VAL A 641 10.535 7.793 8.842 1.00 0.00 N ATOM 2079 CA VAL A 641 10.595 8.486 7.551 1.00 0.00 C ATOM 2080 C VAL A 641 12.048 8.887 7.292 1.00 0.00 C ATOM 2081 O VAL A 641 12.563 8.730 6.183 1.00 0.00 O ATOM 2082 CB VAL A 641 9.679 9.729 7.571 1.00 0.00 C ATOM 2083 CG1 VAL A 641 9.698 10.498 6.239 1.00 0.00 C ATOM 2084 CG2 VAL A 641 8.223 9.379 7.889 1.00 0.00 C ATOM 0 H VAL A 641 9.875 8.203 9.503 1.00 0.00 H new ATOM 0 HA VAL A 641 10.247 7.830 6.753 1.00 0.00 H new ATOM 0 HB VAL A 641 10.086 10.358 8.362 1.00 0.00 H new ATOM 0 HG11 VAL A 641 9.037 11.362 6.308 1.00 0.00 H new ATOM 0 HG12 VAL A 641 10.713 10.834 6.027 1.00 0.00 H new ATOM 0 HG13 VAL A 641 9.357 9.844 5.436 1.00 0.00 H new ATOM 0 HG21 VAL A 641 7.622 10.288 7.891 1.00 0.00 H new ATOM 0 HG22 VAL A 641 7.840 8.693 7.134 1.00 0.00 H new ATOM 0 HG23 VAL A 641 8.168 8.906 8.870 1.00 0.00 H new ATOM 2094 N THR A 642 12.699 9.367 8.346 1.00 0.00 N ATOM 2095 CA THR A 642 14.039 9.878 8.390 1.00 0.00 C ATOM 2096 C THR A 642 15.010 8.702 8.301 1.00 0.00 C ATOM 2097 O THR A 642 15.884 8.710 7.434 1.00 0.00 O ATOM 2098 CB THR A 642 14.117 10.687 9.694 1.00 0.00 C ATOM 2099 OG1 THR A 642 13.170 11.737 9.623 1.00 0.00 O ATOM 2100 CG2 THR A 642 15.514 11.255 9.945 1.00 0.00 C ATOM 0 H THR A 642 12.253 9.406 9.263 1.00 0.00 H new ATOM 0 HA THR A 642 14.309 10.532 7.561 1.00 0.00 H new ATOM 0 HB THR A 642 13.897 10.021 10.528 1.00 0.00 H new ATOM 0 HG1 THR A 642 13.204 12.264 10.448 1.00 0.00 H new ATOM 0 HG21 THR A 642 15.516 11.818 10.878 1.00 0.00 H new ATOM 0 HG22 THR A 642 16.232 10.438 10.013 1.00 0.00 H new ATOM 0 HG23 THR A 642 15.792 11.915 9.123 1.00 0.00 H new ATOM 2108 N THR A 643 14.856 7.668 9.137 1.00 0.00 N ATOM 2109 CA THR A 643 15.752 6.517 9.110 1.00 0.00 C ATOM 2110 C THR A 643 15.715 5.818 7.744 1.00 0.00 C ATOM 2111 O THR A 643 16.761 5.507 7.176 1.00 0.00 O ATOM 2112 CB THR A 643 15.399 5.553 10.255 1.00 0.00 C ATOM 2113 OG1 THR A 643 15.397 6.258 11.477 1.00 0.00 O ATOM 2114 CG2 THR A 643 16.377 4.383 10.381 1.00 0.00 C ATOM 0 H THR A 643 14.118 7.610 9.839 1.00 0.00 H new ATOM 0 HA THR A 643 16.775 6.863 9.260 1.00 0.00 H new ATOM 0 HB THR A 643 14.416 5.143 10.024 1.00 0.00 H new ATOM 0 HG1 THR A 643 14.571 6.780 11.552 1.00 0.00 H new ATOM 0 HG21 THR A 643 16.072 3.741 11.207 1.00 0.00 H new ATOM 0 HG22 THR A 643 16.377 3.808 9.455 1.00 0.00 H new ATOM 0 HG23 THR A 643 17.380 4.766 10.571 1.00 0.00 H new ATOM 2122 N TYR A 644 14.515 5.609 7.201 1.00 0.00 N ATOM 2123 CA TYR A 644 14.266 5.002 5.907 1.00 0.00 C ATOM 2124 C TYR A 644 14.938 5.824 4.807 1.00 0.00 C ATOM 2125 O TYR A 644 15.681 5.280 3.990 1.00 0.00 O ATOM 2126 CB TYR A 644 12.747 4.891 5.726 1.00 0.00 C ATOM 2127 CG TYR A 644 12.315 4.085 4.534 1.00 0.00 C ATOM 2128 CD1 TYR A 644 12.174 2.697 4.668 1.00 0.00 C ATOM 2129 CD2 TYR A 644 12.026 4.715 3.315 1.00 0.00 C ATOM 2130 CE1 TYR A 644 11.821 1.909 3.566 1.00 0.00 C ATOM 2131 CE2 TYR A 644 11.615 3.941 2.219 1.00 0.00 C ATOM 2132 CZ TYR A 644 11.549 2.536 2.332 1.00 0.00 C ATOM 2133 OH TYR A 644 11.219 1.790 1.248 1.00 0.00 O ATOM 0 H TYR A 644 13.654 5.873 7.680 1.00 0.00 H new ATOM 0 HA TYR A 644 14.695 4.002 5.845 1.00 0.00 H new ATOM 0 HB2 TYR A 644 12.319 4.445 6.624 1.00 0.00 H new ATOM 0 HB3 TYR A 644 12.331 5.895 5.639 1.00 0.00 H new ATOM 0 HD1 TYR A 644 12.339 2.232 5.629 1.00 0.00 H new ATOM 0 HD2 TYR A 644 12.119 5.787 3.220 1.00 0.00 H new ATOM 0 HE1 TYR A 644 11.758 0.835 3.659 1.00 0.00 H new ATOM 0 HE2 TYR A 644 11.349 4.421 1.289 1.00 0.00 H new ATOM 0 HH TYR A 644 11.063 2.379 0.481 1.00 0.00 H new ATOM 2143 N ASN A 645 14.742 7.148 4.825 1.00 0.00 N ATOM 2144 CA ASN A 645 15.417 8.064 3.906 1.00 0.00 C ATOM 2145 C ASN A 645 16.928 7.986 4.037 1.00 0.00 C ATOM 2146 O ASN A 645 17.616 8.178 3.041 1.00 0.00 O ATOM 2147 CB ASN A 645 14.994 9.522 4.117 1.00 0.00 C ATOM 2148 CG ASN A 645 13.944 9.908 3.106 1.00 0.00 C ATOM 2149 OD1 ASN A 645 14.273 10.306 1.991 1.00 0.00 O ATOM 2150 ND2 ASN A 645 12.680 9.752 3.440 1.00 0.00 N ATOM 0 H ASN A 645 14.110 7.612 5.478 1.00 0.00 H new ATOM 0 HA ASN A 645 15.116 7.744 2.909 1.00 0.00 H new ATOM 0 HB2 ASN A 645 14.604 9.653 5.126 1.00 0.00 H new ATOM 0 HB3 ASN A 645 15.860 10.177 4.022 1.00 0.00 H new ATOM 0 HD21 ASN A 645 11.944 9.963 2.766 1.00 0.00 H new ATOM 0 HD22 ASN A 645 12.436 9.420 4.373 1.00 0.00 H new ATOM 2157 N GLY A 646 17.438 7.683 5.228 1.00 0.00 N ATOM 2158 CA GLY A 646 18.844 7.453 5.497 1.00 0.00 C ATOM 2159 C GLY A 646 19.423 6.421 4.541 1.00 0.00 C ATOM 2160 O GLY A 646 20.480 6.623 3.945 1.00 0.00 O ATOM 0 H GLY A 646 16.856 7.589 6.060 1.00 0.00 H new ATOM 0 HA2 GLY A 646 19.393 8.390 5.402 1.00 0.00 H new ATOM 0 HA3 GLY A 646 18.970 7.112 6.525 1.00 0.00 H new ATOM 2164 N TYR A 647 18.723 5.304 4.387 1.00 0.00 N ATOM 2165 CA TYR A 647 19.126 4.203 3.530 1.00 0.00 C ATOM 2166 C TYR A 647 18.945 4.545 2.054 1.00 0.00 C ATOM 2167 O TYR A 647 19.773 4.153 1.225 1.00 0.00 O ATOM 2168 CB TYR A 647 18.279 2.989 3.937 1.00 0.00 C ATOM 2169 CG TYR A 647 18.288 2.600 5.410 1.00 0.00 C ATOM 2170 CD1 TYR A 647 19.498 2.459 6.119 1.00 0.00 C ATOM 2171 CD2 TYR A 647 17.071 2.318 6.061 1.00 0.00 C ATOM 2172 CE1 TYR A 647 19.493 2.033 7.462 1.00 0.00 C ATOM 2173 CE2 TYR A 647 17.060 1.885 7.400 1.00 0.00 C ATOM 2174 CZ TYR A 647 18.273 1.730 8.106 1.00 0.00 C ATOM 2175 OH TYR A 647 18.252 1.243 9.382 1.00 0.00 O ATOM 0 H TYR A 647 17.839 5.137 4.867 1.00 0.00 H new ATOM 0 HA TYR A 647 20.187 3.989 3.656 1.00 0.00 H new ATOM 0 HB2 TYR A 647 17.247 3.183 3.644 1.00 0.00 H new ATOM 0 HB3 TYR A 647 18.618 2.130 3.358 1.00 0.00 H new ATOM 0 HD1 TYR A 647 20.435 2.679 5.630 1.00 0.00 H new ATOM 0 HD2 TYR A 647 16.139 2.435 5.528 1.00 0.00 H new ATOM 0 HE1 TYR A 647 20.424 1.938 8.000 1.00 0.00 H new ATOM 0 HE2 TYR A 647 16.121 1.671 7.889 1.00 0.00 H new ATOM 0 HH TYR A 647 17.324 1.094 9.660 1.00 0.00 H new ATOM 2185 N LEU A 648 17.903 5.306 1.712 1.00 0.00 N ATOM 2186 CA LEU A 648 17.674 5.687 0.323 1.00 0.00 C ATOM 2187 C LEU A 648 18.759 6.663 -0.129 1.00 0.00 C ATOM 2188 O LEU A 648 19.375 6.456 -1.171 1.00 0.00 O ATOM 2189 CB LEU A 648 16.268 6.264 0.108 1.00 0.00 C ATOM 2190 CG LEU A 648 15.086 5.358 0.523 1.00 0.00 C ATOM 2191 CD1 LEU A 648 13.824 5.731 -0.260 1.00 0.00 C ATOM 2192 CD2 LEU A 648 15.296 3.852 0.312 1.00 0.00 C ATOM 0 H LEU A 648 17.213 5.666 2.372 1.00 0.00 H new ATOM 0 HA LEU A 648 17.732 4.789 -0.292 1.00 0.00 H new ATOM 0 HB2 LEU A 648 16.193 7.199 0.663 1.00 0.00 H new ATOM 0 HB3 LEU A 648 16.157 6.510 -0.948 1.00 0.00 H new ATOM 0 HG LEU A 648 14.996 5.535 1.595 1.00 0.00 H new ATOM 0 HD11 LEU A 648 13.002 5.083 0.045 1.00 0.00 H new ATOM 0 HD12 LEU A 648 13.563 6.769 -0.056 1.00 0.00 H new ATOM 0 HD13 LEU A 648 14.008 5.606 -1.327 1.00 0.00 H new ATOM 0 HD21 LEU A 648 14.407 3.312 0.636 1.00 0.00 H new ATOM 0 HD22 LEU A 648 15.476 3.654 -0.745 1.00 0.00 H new ATOM 0 HD23 LEU A 648 16.155 3.519 0.895 1.00 0.00 H new ATOM 2204 N THR A 649 19.043 7.686 0.674 1.00 0.00 N ATOM 2205 CA THR A 649 20.075 8.686 0.419 1.00 0.00 C ATOM 2206 C THR A 649 21.460 8.026 0.378 1.00 0.00 C ATOM 2207 O THR A 649 22.306 8.438 -0.413 1.00 0.00 O ATOM 2208 CB THR A 649 19.971 9.793 1.486 1.00 0.00 C ATOM 2209 OG1 THR A 649 18.623 10.235 1.568 1.00 0.00 O ATOM 2210 CG2 THR A 649 20.841 11.015 1.188 1.00 0.00 C ATOM 0 H THR A 649 18.544 7.846 1.549 1.00 0.00 H new ATOM 0 HA THR A 649 19.926 9.147 -0.557 1.00 0.00 H new ATOM 0 HB THR A 649 20.322 9.352 2.419 1.00 0.00 H new ATOM 0 HG1 THR A 649 18.131 9.669 2.198 1.00 0.00 H new ATOM 0 HG21 THR A 649 20.717 11.752 1.981 1.00 0.00 H new ATOM 0 HG22 THR A 649 21.887 10.713 1.134 1.00 0.00 H new ATOM 0 HG23 THR A 649 20.540 11.452 0.236 1.00 0.00 H new