USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 627 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 570 HIS : no HE2:sc= -3.02 K(o=-5.4,f=-10!) USER MOD Set 1.2: A 574 GLN :FLIP amide:sc= -2.33 F(o=-8.1!,f=-5.4) USER MOD Set 2.1: A 554 CYS SG : rot -36:sc= -1.71 USER MOD Set 2.2: A 555 CYS SG : rot 33:sc= -0.295 USER MOD Set 3.1: A 508 THR OG1 : rot -163:sc= 1.49 USER MOD Set 3.2: A 579 MET CE :methyl -160:sc= -0.0512 (180deg=-0.505) USER MOD Single : A 504 THR OG1 : rot 19:sc= 0.254 USER MOD Single : A 505 GLN : amide:sc= -0.498 X(o=-0.5,f=-0.87) USER MOD Single : A 506 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 511 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 519 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 520 THR OG1 : rot 180:sc= -0.02 USER MOD Single : A 527 SER OG : rot 180:sc= 0 USER MOD Single : A 528 TYR OH : rot 180:sc= 0 USER MOD Single : A 530 TYR OH : rot 180:sc= 0 USER MOD Single : A 534 ASN : amide:sc= -0.0704 X(o=-0.07,f=0) USER MOD Single : A 535 HIS : no HD1:sc= -7.84! C(o=-7.8!,f=-9.6!) USER MOD Single : A 536 MET CE :methyl -163:sc= -2.66! (180deg=-2.92!) USER MOD Single : A 537 MET CE :methyl -179:sc= 0 (180deg=-0.00102) USER MOD Single : A 539 LYS NZ :NH3+ -118:sc= -0.0169 (180deg=-1.98!) USER MOD Single : A 546 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 549 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 556 ASN : amide:sc= -0.0115 K(o=-0.011,f=-2.9!) USER MOD Single : A 564 GLN : amide:sc= -1.19 X(o=-1.2,f=-1.5!) USER MOD Single : A 565 GLN : amide:sc= -0.0767 K(o=-0.077,f=-1.5!) USER MOD Single : A 567 ASN : amide:sc= -1.55 X(o=-1.5,f=-1.8) USER MOD Single : A 569 MET CE :methyl -128:sc= -0.0506 (180deg=-1.24) USER MOD Single : A 575 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 445 N THR A 504 -8.093 -7.773 7.459 1.00 0.00 N ATOM 446 CA THR A 504 -8.665 -8.166 6.177 1.00 0.00 C ATOM 447 C THR A 504 -8.492 -7.065 5.137 1.00 0.00 C ATOM 448 O THR A 504 -7.843 -7.265 4.111 1.00 0.00 O ATOM 449 CB THR A 504 -10.163 -8.500 6.310 1.00 0.00 C ATOM 450 OG1 THR A 504 -10.378 -9.346 7.444 1.00 0.00 O ATOM 451 CG2 THR A 504 -10.678 -9.186 5.054 1.00 0.00 C ATOM 0 HA THR A 504 -8.129 -9.057 5.851 1.00 0.00 H new ATOM 0 HB THR A 504 -10.710 -7.567 6.445 1.00 0.00 H new ATOM 0 HG1 THR A 504 -9.612 -9.279 8.052 1.00 0.00 H new ATOM 0 HG21 THR A 504 -11.738 -9.412 5.171 1.00 0.00 H new ATOM 0 HG22 THR A 504 -10.540 -8.527 4.197 1.00 0.00 H new ATOM 0 HG23 THR A 504 -10.125 -10.111 4.892 1.00 0.00 H new ATOM 459 N GLN A 505 -9.075 -5.902 5.410 1.00 0.00 N ATOM 460 CA GLN A 505 -8.984 -4.769 4.497 1.00 0.00 C ATOM 461 C GLN A 505 -7.529 -4.457 4.160 1.00 0.00 C ATOM 462 O GLN A 505 -7.157 -4.378 2.989 1.00 0.00 O ATOM 463 CB GLN A 505 -9.653 -3.538 5.109 1.00 0.00 C ATOM 464 CG GLN A 505 -11.148 -3.462 4.841 1.00 0.00 C ATOM 465 CD GLN A 505 -11.747 -2.131 5.251 1.00 0.00 C ATOM 466 OE1 GLN A 505 -11.096 -1.321 5.912 1.00 0.00 O ATOM 467 NE2 GLN A 505 -12.994 -1.897 4.860 1.00 0.00 N ATOM 0 H GLN A 505 -9.615 -5.720 6.256 1.00 0.00 H new ATOM 0 HA GLN A 505 -9.503 -5.035 3.576 1.00 0.00 H new ATOM 0 HB2 GLN A 505 -9.485 -3.541 6.186 1.00 0.00 H new ATOM 0 HB3 GLN A 505 -9.175 -2.641 4.714 1.00 0.00 H new ATOM 0 HG2 GLN A 505 -11.332 -3.627 3.779 1.00 0.00 H new ATOM 0 HG3 GLN A 505 -11.651 -4.264 5.380 1.00 0.00 H new ATOM 0 HE21 GLN A 505 -13.497 -2.596 4.313 1.00 0.00 H new ATOM 0 HE22 GLN A 505 -13.449 -1.018 5.106 1.00 0.00 H new ATOM 476 N GLN A 506 -6.713 -4.281 5.193 1.00 0.00 N ATOM 477 CA GLN A 506 -5.299 -3.976 5.006 1.00 0.00 C ATOM 478 C GLN A 506 -4.655 -4.957 4.032 1.00 0.00 C ATOM 479 O GLN A 506 -4.028 -4.554 3.052 1.00 0.00 O ATOM 480 CB GLN A 506 -4.565 -4.016 6.347 1.00 0.00 C ATOM 481 CG GLN A 506 -4.952 -2.884 7.286 1.00 0.00 C ATOM 482 CD GLN A 506 -4.190 -2.927 8.596 1.00 0.00 C ATOM 483 OE1 GLN A 506 -3.121 -2.145 8.685 1.00 0.00 O flip ATOM 484 NE2 GLN A 506 -4.559 -3.655 9.518 1.00 0.00 N flip ATOM 0 H GLN A 506 -7.006 -4.344 6.168 1.00 0.00 H new ATOM 0 HA GLN A 506 -5.222 -2.972 4.587 1.00 0.00 H new ATOM 0 HB2 GLN A 506 -4.770 -4.969 6.836 1.00 0.00 H new ATOM 0 HB3 GLN A 506 -3.491 -3.975 6.165 1.00 0.00 H new ATOM 0 HG2 GLN A 506 -4.767 -1.929 6.794 1.00 0.00 H new ATOM 0 HG3 GLN A 506 -6.021 -2.936 7.490 1.00 0.00 H new ATOM 0 HE21 GLN A 506 -5.387 -4.240 9.406 1.00 0.00 H new ATOM 0 HE22 GLN A 506 -4.037 -3.673 10.394 1.00 0.00 H new ATOM 493 N LEU A 507 -4.814 -6.247 4.307 1.00 0.00 N ATOM 494 CA LEU A 507 -4.248 -7.287 3.454 1.00 0.00 C ATOM 495 C LEU A 507 -4.709 -7.118 2.010 1.00 0.00 C ATOM 496 O LEU A 507 -3.895 -7.068 1.088 1.00 0.00 O ATOM 497 CB LEU A 507 -4.647 -8.670 3.971 1.00 0.00 C ATOM 498 CG LEU A 507 -3.840 -9.203 5.155 1.00 0.00 C ATOM 499 CD1 LEU A 507 -4.509 -10.434 5.747 1.00 0.00 C ATOM 500 CD2 LEU A 507 -2.415 -9.522 4.728 1.00 0.00 C ATOM 0 H LEU A 507 -5.330 -6.598 5.114 1.00 0.00 H new ATOM 0 HA LEU A 507 -3.162 -7.195 3.482 1.00 0.00 H new ATOM 0 HB2 LEU A 507 -5.698 -8.639 4.258 1.00 0.00 H new ATOM 0 HB3 LEU A 507 -4.562 -9.381 3.149 1.00 0.00 H new ATOM 0 HG LEU A 507 -3.804 -8.430 5.923 1.00 0.00 H new ATOM 0 HD11 LEU A 507 -3.920 -10.799 6.588 1.00 0.00 H new ATOM 0 HD12 LEU A 507 -5.510 -10.174 6.090 1.00 0.00 H new ATOM 0 HD13 LEU A 507 -4.577 -11.212 4.987 1.00 0.00 H new ATOM 0 HD21 LEU A 507 -1.855 -9.900 5.583 1.00 0.00 H new ATOM 0 HD22 LEU A 507 -2.431 -10.277 3.942 1.00 0.00 H new ATOM 0 HD23 LEU A 507 -1.937 -8.618 4.352 1.00 0.00 H new ATOM 512 N THR A 508 -6.022 -7.029 1.820 1.00 0.00 N ATOM 513 CA THR A 508 -6.592 -6.864 0.489 1.00 0.00 C ATOM 514 C THR A 508 -5.933 -5.707 -0.252 1.00 0.00 C ATOM 515 O THR A 508 -5.539 -5.843 -1.410 1.00 0.00 O ATOM 516 CB THR A 508 -8.111 -6.618 0.555 1.00 0.00 C ATOM 517 OG1 THR A 508 -8.765 -7.746 1.147 1.00 0.00 O ATOM 518 CG2 THR A 508 -8.680 -6.368 -0.834 1.00 0.00 C ATOM 0 H THR A 508 -6.710 -7.068 2.572 1.00 0.00 H new ATOM 0 HA THR A 508 -6.405 -7.792 -0.052 1.00 0.00 H new ATOM 0 HB THR A 508 -8.287 -5.734 1.167 1.00 0.00 H new ATOM 0 HG1 THR A 508 -9.724 -7.708 0.951 1.00 0.00 H new ATOM 0 HG21 THR A 508 -9.754 -6.197 -0.762 1.00 0.00 H new ATOM 0 HG22 THR A 508 -8.201 -5.491 -1.271 1.00 0.00 H new ATOM 0 HG23 THR A 508 -8.493 -7.236 -1.466 1.00 0.00 H new ATOM 526 N ALA A 509 -5.816 -4.568 0.423 1.00 0.00 N ATOM 527 CA ALA A 509 -5.202 -3.387 -0.171 1.00 0.00 C ATOM 528 C ALA A 509 -3.728 -3.631 -0.480 1.00 0.00 C ATOM 529 O ALA A 509 -3.294 -3.503 -1.624 1.00 0.00 O ATOM 530 CB ALA A 509 -5.358 -2.189 0.753 1.00 0.00 C ATOM 0 H ALA A 509 -6.139 -4.438 1.382 1.00 0.00 H new ATOM 0 HA ALA A 509 -5.713 -3.176 -1.110 1.00 0.00 H new ATOM 0 HB1 ALA A 509 -4.895 -1.314 0.296 1.00 0.00 H new ATOM 0 HB2 ALA A 509 -6.417 -1.993 0.919 1.00 0.00 H new ATOM 0 HB3 ALA A 509 -4.874 -2.400 1.707 1.00 0.00 H new ATOM 536 N PHE A 510 -2.964 -3.983 0.549 1.00 0.00 N ATOM 537 CA PHE A 510 -1.538 -4.243 0.388 1.00 0.00 C ATOM 538 C PHE A 510 -1.274 -5.069 -0.867 1.00 0.00 C ATOM 539 O PHE A 510 -0.350 -4.782 -1.628 1.00 0.00 O ATOM 540 CB PHE A 510 -0.989 -4.971 1.616 1.00 0.00 C ATOM 541 CG PHE A 510 0.509 -5.078 1.631 1.00 0.00 C ATOM 542 CD1 PHE A 510 1.296 -3.944 1.758 1.00 0.00 C ATOM 543 CD2 PHE A 510 1.131 -6.311 1.517 1.00 0.00 C ATOM 544 CE1 PHE A 510 2.675 -4.039 1.771 1.00 0.00 C ATOM 545 CE2 PHE A 510 2.509 -6.412 1.529 1.00 0.00 C ATOM 546 CZ PHE A 510 3.282 -5.275 1.657 1.00 0.00 C ATOM 0 H PHE A 510 -3.308 -4.095 1.503 1.00 0.00 H new ATOM 0 HA PHE A 510 -1.029 -3.285 0.285 1.00 0.00 H new ATOM 0 HB2 PHE A 510 -1.317 -4.448 2.515 1.00 0.00 H new ATOM 0 HB3 PHE A 510 -1.417 -5.973 1.656 1.00 0.00 H new ATOM 0 HD1 PHE A 510 0.827 -2.976 1.848 1.00 0.00 H new ATOM 0 HD2 PHE A 510 0.531 -7.204 1.418 1.00 0.00 H new ATOM 0 HE1 PHE A 510 3.277 -3.148 1.870 1.00 0.00 H new ATOM 0 HE2 PHE A 510 2.981 -7.379 1.438 1.00 0.00 H new ATOM 0 HZ PHE A 510 4.359 -5.352 1.668 1.00 0.00 H new ATOM 556 N GLN A 511 -2.092 -6.096 -1.075 1.00 0.00 N ATOM 557 CA GLN A 511 -1.947 -6.965 -2.237 1.00 0.00 C ATOM 558 C GLN A 511 -2.217 -6.198 -3.528 1.00 0.00 C ATOM 559 O GLN A 511 -1.367 -6.140 -4.417 1.00 0.00 O ATOM 560 CB GLN A 511 -2.898 -8.158 -2.130 1.00 0.00 C ATOM 561 CG GLN A 511 -2.846 -9.087 -3.332 1.00 0.00 C ATOM 562 CD GLN A 511 -3.723 -10.312 -3.162 1.00 0.00 C ATOM 563 OE1 GLN A 511 -4.640 -10.323 -2.340 1.00 0.00 O ATOM 564 NE2 GLN A 511 -3.445 -11.352 -3.940 1.00 0.00 N ATOM 0 H GLN A 511 -2.862 -6.346 -0.454 1.00 0.00 H new ATOM 0 HA GLN A 511 -0.920 -7.329 -2.261 1.00 0.00 H new ATOM 0 HB2 GLN A 511 -2.656 -8.726 -1.232 1.00 0.00 H new ATOM 0 HB3 GLN A 511 -3.917 -7.790 -2.009 1.00 0.00 H new ATOM 0 HG2 GLN A 511 -3.160 -8.541 -4.222 1.00 0.00 H new ATOM 0 HG3 GLN A 511 -1.816 -9.403 -3.498 1.00 0.00 H new ATOM 0 HE21 GLN A 511 -2.675 -11.298 -4.607 1.00 0.00 H new ATOM 0 HE22 GLN A 511 -4.001 -12.204 -3.870 1.00 0.00 H new ATOM 573 N LEU A 512 -3.405 -5.611 -3.624 1.00 0.00 N ATOM 574 CA LEU A 512 -3.788 -4.848 -4.806 1.00 0.00 C ATOM 575 C LEU A 512 -2.627 -3.992 -5.301 1.00 0.00 C ATOM 576 O LEU A 512 -2.305 -3.991 -6.490 1.00 0.00 O ATOM 577 CB LEU A 512 -4.995 -3.960 -4.495 1.00 0.00 C ATOM 578 CG LEU A 512 -6.346 -4.671 -4.405 1.00 0.00 C ATOM 579 CD1 LEU A 512 -7.405 -3.736 -3.842 1.00 0.00 C ATOM 580 CD2 LEU A 512 -6.765 -5.194 -5.772 1.00 0.00 C ATOM 0 H LEU A 512 -4.120 -5.649 -2.897 1.00 0.00 H new ATOM 0 HA LEU A 512 -4.056 -5.553 -5.592 1.00 0.00 H new ATOM 0 HB2 LEU A 512 -4.812 -3.450 -3.549 1.00 0.00 H new ATOM 0 HB3 LEU A 512 -5.062 -3.191 -5.264 1.00 0.00 H new ATOM 0 HG LEU A 512 -6.244 -5.520 -3.729 1.00 0.00 H new ATOM 0 HD11 LEU A 512 -8.359 -4.259 -3.785 1.00 0.00 H new ATOM 0 HD12 LEU A 512 -7.110 -3.411 -2.844 1.00 0.00 H new ATOM 0 HD13 LEU A 512 -7.506 -2.867 -4.492 1.00 0.00 H new ATOM 0 HD21 LEU A 512 -7.728 -5.697 -5.689 1.00 0.00 H new ATOM 0 HD22 LEU A 512 -6.849 -4.361 -6.470 1.00 0.00 H new ATOM 0 HD23 LEU A 512 -6.018 -5.899 -6.137 1.00 0.00 H new ATOM 592 N LEU A 513 -2.000 -3.266 -4.382 1.00 0.00 N ATOM 593 CA LEU A 513 -0.872 -2.407 -4.725 1.00 0.00 C ATOM 594 C LEU A 513 0.275 -3.223 -5.312 1.00 0.00 C ATOM 595 O LEU A 513 0.708 -2.982 -6.439 1.00 0.00 O ATOM 596 CB LEU A 513 -0.391 -1.646 -3.488 1.00 0.00 C ATOM 597 CG LEU A 513 -1.335 -0.569 -2.952 1.00 0.00 C ATOM 598 CD1 LEU A 513 -0.901 -0.119 -1.566 1.00 0.00 C ATOM 599 CD2 LEU A 513 -1.390 0.615 -3.907 1.00 0.00 C ATOM 0 H LEU A 513 -2.253 -3.255 -3.394 1.00 0.00 H new ATOM 0 HA LEU A 513 -1.207 -1.692 -5.477 1.00 0.00 H new ATOM 0 HB2 LEU A 513 -0.206 -2.367 -2.692 1.00 0.00 H new ATOM 0 HB3 LEU A 513 0.565 -1.178 -3.723 1.00 0.00 H new ATOM 0 HG LEU A 513 -2.335 -0.995 -2.875 1.00 0.00 H new ATOM 0 HD11 LEU A 513 -1.585 0.647 -1.202 1.00 0.00 H new ATOM 0 HD12 LEU A 513 -0.915 -0.971 -0.886 1.00 0.00 H new ATOM 0 HD13 LEU A 513 0.108 0.289 -1.616 1.00 0.00 H new ATOM 0 HD21 LEU A 513 -2.066 1.372 -3.510 1.00 0.00 H new ATOM 0 HD22 LEU A 513 -0.393 1.041 -4.016 1.00 0.00 H new ATOM 0 HD23 LEU A 513 -1.750 0.281 -4.880 1.00 0.00 H new ATOM 611 N PHE A 514 0.762 -4.190 -4.541 1.00 0.00 N ATOM 612 CA PHE A 514 1.859 -5.042 -4.986 1.00 0.00 C ATOM 613 C PHE A 514 1.734 -5.357 -6.474 1.00 0.00 C ATOM 614 O PHE A 514 2.612 -5.016 -7.266 1.00 0.00 O ATOM 615 CB PHE A 514 1.881 -6.342 -4.178 1.00 0.00 C ATOM 616 CG PHE A 514 3.118 -7.165 -4.402 1.00 0.00 C ATOM 617 CD1 PHE A 514 4.367 -6.666 -4.071 1.00 0.00 C ATOM 618 CD2 PHE A 514 3.030 -8.438 -4.942 1.00 0.00 C ATOM 619 CE1 PHE A 514 5.506 -7.421 -4.276 1.00 0.00 C ATOM 620 CE2 PHE A 514 4.166 -9.198 -5.150 1.00 0.00 C ATOM 621 CZ PHE A 514 5.406 -8.689 -4.815 1.00 0.00 C ATOM 0 H PHE A 514 0.415 -4.403 -3.606 1.00 0.00 H new ATOM 0 HA PHE A 514 2.793 -4.505 -4.824 1.00 0.00 H new ATOM 0 HB2 PHE A 514 1.800 -6.103 -3.118 1.00 0.00 H new ATOM 0 HB3 PHE A 514 1.006 -6.937 -4.438 1.00 0.00 H new ATOM 0 HD1 PHE A 514 4.452 -5.676 -3.648 1.00 0.00 H new ATOM 0 HD2 PHE A 514 2.063 -8.841 -5.203 1.00 0.00 H new ATOM 0 HE1 PHE A 514 6.474 -7.020 -4.015 1.00 0.00 H new ATOM 0 HE2 PHE A 514 4.084 -10.188 -5.574 1.00 0.00 H new ATOM 0 HZ PHE A 514 6.295 -9.281 -4.974 1.00 0.00 H new ATOM 631 N ALA A 515 0.638 -6.010 -6.845 1.00 0.00 N ATOM 632 CA ALA A 515 0.397 -6.370 -8.237 1.00 0.00 C ATOM 633 C ALA A 515 0.535 -5.156 -9.149 1.00 0.00 C ATOM 634 O ALA A 515 1.310 -5.171 -10.106 1.00 0.00 O ATOM 635 CB ALA A 515 -0.982 -6.993 -8.390 1.00 0.00 C ATOM 0 H ALA A 515 -0.098 -6.301 -6.201 1.00 0.00 H new ATOM 0 HA ALA A 515 1.149 -7.102 -8.533 1.00 0.00 H new ATOM 0 HB1 ALA A 515 -1.148 -7.257 -9.434 1.00 0.00 H new ATOM 0 HB2 ALA A 515 -1.046 -7.890 -7.774 1.00 0.00 H new ATOM 0 HB3 ALA A 515 -1.741 -6.279 -8.071 1.00 0.00 H new ATOM 641 N TRP A 516 -0.220 -4.106 -8.847 1.00 0.00 N ATOM 642 CA TRP A 516 -0.182 -2.883 -9.642 1.00 0.00 C ATOM 643 C TRP A 516 1.254 -2.424 -9.866 1.00 0.00 C ATOM 644 O TRP A 516 1.643 -2.099 -10.988 1.00 0.00 O ATOM 645 CB TRP A 516 -0.982 -1.777 -8.951 1.00 0.00 C ATOM 646 CG TRP A 516 -0.709 -0.412 -9.506 1.00 0.00 C ATOM 647 CD1 TRP A 516 -1.310 0.168 -10.587 1.00 0.00 C ATOM 648 CD2 TRP A 516 0.235 0.542 -9.009 1.00 0.00 C ATOM 649 NE1 TRP A 516 -0.795 1.426 -10.792 1.00 0.00 N ATOM 650 CE2 TRP A 516 0.153 1.679 -9.836 1.00 0.00 C ATOM 651 CE3 TRP A 516 1.139 0.548 -7.944 1.00 0.00 C ATOM 652 CZ2 TRP A 516 0.943 2.807 -9.631 1.00 0.00 C ATOM 653 CZ3 TRP A 516 1.923 1.668 -7.741 1.00 0.00 C ATOM 654 CH2 TRP A 516 1.820 2.785 -8.581 1.00 0.00 C ATOM 0 H TRP A 516 -0.866 -4.076 -8.058 1.00 0.00 H new ATOM 0 HA TRP A 516 -0.631 -3.095 -10.612 1.00 0.00 H new ATOM 0 HB2 TRP A 516 -2.046 -1.994 -9.046 1.00 0.00 H new ATOM 0 HB3 TRP A 516 -0.750 -1.782 -7.886 1.00 0.00 H new ATOM 0 HD1 TRP A 516 -2.077 -0.294 -11.191 1.00 0.00 H new ATOM 0 HE1 TRP A 516 -1.073 2.067 -11.535 1.00 0.00 H new ATOM 0 HE3 TRP A 516 1.224 -0.308 -7.291 1.00 0.00 H new ATOM 0 HZ2 TRP A 516 0.866 3.669 -10.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 516 2.626 1.683 -6.922 1.00 0.00 H new ATOM 0 HH2 TRP A 516 2.445 3.646 -8.396 1.00 0.00 H new ATOM 665 N ARG A 517 2.038 -2.401 -8.793 1.00 0.00 N ATOM 666 CA ARG A 517 3.431 -1.980 -8.874 1.00 0.00 C ATOM 667 C ARG A 517 4.172 -2.758 -9.958 1.00 0.00 C ATOM 668 O ARG A 517 4.824 -2.170 -10.822 1.00 0.00 O ATOM 669 CB ARG A 517 4.125 -2.179 -7.525 1.00 0.00 C ATOM 670 CG ARG A 517 5.624 -1.929 -7.568 1.00 0.00 C ATOM 671 CD ARG A 517 6.138 -1.394 -6.241 1.00 0.00 C ATOM 672 NE ARG A 517 7.548 -1.712 -6.032 1.00 0.00 N ATOM 673 CZ ARG A 517 7.974 -2.859 -5.515 1.00 0.00 C ATOM 674 NH1 ARG A 517 7.104 -3.793 -5.157 1.00 0.00 N ATOM 675 NH2 ARG A 517 9.274 -3.074 -5.357 1.00 0.00 N ATOM 0 H ARG A 517 1.732 -2.669 -7.858 1.00 0.00 H new ATOM 0 HA ARG A 517 3.450 -0.921 -9.133 1.00 0.00 H new ATOM 0 HB2 ARG A 517 3.675 -1.510 -6.792 1.00 0.00 H new ATOM 0 HB3 ARG A 517 3.945 -3.197 -7.180 1.00 0.00 H new ATOM 0 HG2 ARG A 517 6.142 -2.856 -7.813 1.00 0.00 H new ATOM 0 HG3 ARG A 517 5.853 -1.217 -8.361 1.00 0.00 H new ATOM 0 HD2 ARG A 517 6.002 -0.313 -6.209 1.00 0.00 H new ATOM 0 HD3 ARG A 517 5.547 -1.814 -5.427 1.00 0.00 H new ATOM 0 HE ARG A 517 8.244 -1.015 -6.298 1.00 0.00 H new ATOM 0 HH11 ARG A 517 6.104 -3.632 -5.278 1.00 0.00 H new ATOM 0 HH12 ARG A 517 7.435 -4.673 -4.760 1.00 0.00 H new ATOM 0 HH21 ARG A 517 9.946 -2.358 -5.633 1.00 0.00 H new ATOM 0 HH22 ARG A 517 9.601 -3.955 -4.960 1.00 0.00 H new ATOM 689 N ASP A 518 4.066 -4.081 -9.906 1.00 0.00 N ATOM 690 CA ASP A 518 4.725 -4.939 -10.884 1.00 0.00 C ATOM 691 C ASP A 518 4.163 -4.702 -12.282 1.00 0.00 C ATOM 692 O ASP A 518 4.911 -4.597 -13.254 1.00 0.00 O ATOM 693 CB ASP A 518 4.559 -6.410 -10.497 1.00 0.00 C ATOM 694 CG ASP A 518 5.345 -7.339 -11.402 1.00 0.00 C ATOM 695 OD1 ASP A 518 5.555 -6.982 -12.580 1.00 0.00 O ATOM 696 OD2 ASP A 518 5.751 -8.421 -10.931 1.00 0.00 O ATOM 0 H ASP A 518 3.530 -4.583 -9.198 1.00 0.00 H new ATOM 0 HA ASP A 518 5.786 -4.690 -10.892 1.00 0.00 H new ATOM 0 HB2 ASP A 518 4.884 -6.550 -9.466 1.00 0.00 H new ATOM 0 HB3 ASP A 518 3.503 -6.676 -10.537 1.00 0.00 H new ATOM 701 N LYS A 519 2.840 -4.619 -12.376 1.00 0.00 N ATOM 702 CA LYS A 519 2.176 -4.394 -13.654 1.00 0.00 C ATOM 703 C LYS A 519 2.755 -3.172 -14.360 1.00 0.00 C ATOM 704 O LYS A 519 3.143 -3.242 -15.527 1.00 0.00 O ATOM 705 CB LYS A 519 0.671 -4.210 -13.445 1.00 0.00 C ATOM 706 CG LYS A 519 -0.073 -3.800 -14.704 1.00 0.00 C ATOM 707 CD LYS A 519 -0.146 -2.289 -14.842 1.00 0.00 C ATOM 708 CE LYS A 519 -1.087 -1.680 -13.814 1.00 0.00 C ATOM 709 NZ LYS A 519 -2.479 -1.572 -14.332 1.00 0.00 N ATOM 0 H LYS A 519 2.206 -4.704 -11.581 1.00 0.00 H new ATOM 0 HA LYS A 519 2.345 -5.269 -14.282 1.00 0.00 H new ATOM 0 HB2 LYS A 519 0.248 -5.142 -13.071 1.00 0.00 H new ATOM 0 HB3 LYS A 519 0.509 -3.455 -12.676 1.00 0.00 H new ATOM 0 HG2 LYS A 519 0.426 -4.222 -15.576 1.00 0.00 H new ATOM 0 HG3 LYS A 519 -1.081 -4.213 -14.683 1.00 0.00 H new ATOM 0 HD2 LYS A 519 0.850 -1.863 -14.722 1.00 0.00 H new ATOM 0 HD3 LYS A 519 -0.485 -2.030 -15.845 1.00 0.00 H new ATOM 0 HE2 LYS A 519 -1.082 -2.290 -12.911 1.00 0.00 H new ATOM 0 HE3 LYS A 519 -0.726 -0.691 -13.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 519 -3.089 -1.152 -13.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 519 -2.488 -0.969 -15.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 519 -2.833 -2.519 -14.577 1.00 0.00 H new ATOM 723 N THR A 520 2.811 -2.052 -13.646 1.00 0.00 N ATOM 724 CA THR A 520 3.343 -0.816 -14.204 1.00 0.00 C ATOM 725 C THR A 520 4.865 -0.858 -14.283 1.00 0.00 C ATOM 726 O THR A 520 5.464 -0.291 -15.196 1.00 0.00 O ATOM 727 CB THR A 520 2.917 0.406 -13.368 1.00 0.00 C ATOM 728 OG1 THR A 520 1.489 0.501 -13.331 1.00 0.00 O ATOM 729 CG2 THR A 520 3.500 1.687 -13.946 1.00 0.00 C ATOM 0 H THR A 520 2.494 -1.976 -12.679 1.00 0.00 H new ATOM 0 HA THR A 520 2.933 -0.721 -15.209 1.00 0.00 H new ATOM 0 HB THR A 520 3.299 0.276 -12.355 1.00 0.00 H new ATOM 0 HG1 THR A 520 1.227 1.279 -12.796 1.00 0.00 H new ATOM 0 HG21 THR A 520 3.186 2.536 -13.339 1.00 0.00 H new ATOM 0 HG22 THR A 520 4.588 1.624 -13.946 1.00 0.00 H new ATOM 0 HG23 THR A 520 3.144 1.820 -14.968 1.00 0.00 H new ATOM 737 N ALA A 521 5.484 -1.533 -13.320 1.00 0.00 N ATOM 738 CA ALA A 521 6.937 -1.651 -13.283 1.00 0.00 C ATOM 739 C ALA A 521 7.497 -1.970 -14.664 1.00 0.00 C ATOM 740 O ALA A 521 8.278 -1.198 -15.221 1.00 0.00 O ATOM 741 CB ALA A 521 7.354 -2.720 -12.283 1.00 0.00 C ATOM 0 H ALA A 521 5.003 -2.006 -12.555 1.00 0.00 H new ATOM 0 HA ALA A 521 7.347 -0.692 -12.966 1.00 0.00 H new ATOM 0 HB1 ALA A 521 8.441 -2.798 -12.266 1.00 0.00 H new ATOM 0 HB2 ALA A 521 6.993 -2.450 -11.290 1.00 0.00 H new ATOM 0 HB3 ALA A 521 6.926 -3.679 -12.576 1.00 0.00 H new ATOM 747 N ARG A 522 7.095 -3.112 -15.212 1.00 0.00 N ATOM 748 CA ARG A 522 7.559 -3.533 -16.529 1.00 0.00 C ATOM 749 C ARG A 522 7.290 -2.452 -17.572 1.00 0.00 C ATOM 750 O ARG A 522 8.190 -2.047 -18.307 1.00 0.00 O ATOM 751 CB ARG A 522 6.873 -4.837 -16.942 1.00 0.00 C ATOM 752 CG ARG A 522 5.362 -4.808 -16.780 1.00 0.00 C ATOM 753 CD ARG A 522 4.807 -6.194 -16.492 1.00 0.00 C ATOM 754 NE ARG A 522 4.531 -6.939 -17.717 1.00 0.00 N ATOM 755 CZ ARG A 522 4.074 -8.186 -17.733 1.00 0.00 C ATOM 756 NH1 ARG A 522 3.842 -8.824 -16.594 1.00 0.00 N ATOM 757 NH2 ARG A 522 3.847 -8.797 -18.888 1.00 0.00 N ATOM 0 H ARG A 522 6.449 -3.762 -14.765 1.00 0.00 H new ATOM 0 HA ARG A 522 8.635 -3.698 -16.472 1.00 0.00 H new ATOM 0 HB2 ARG A 522 7.114 -5.051 -17.983 1.00 0.00 H new ATOM 0 HB3 ARG A 522 7.278 -5.655 -16.347 1.00 0.00 H new ATOM 0 HG2 ARG A 522 5.095 -4.132 -15.968 1.00 0.00 H new ATOM 0 HG3 ARG A 522 4.905 -4.413 -17.687 1.00 0.00 H new ATOM 0 HD2 ARG A 522 5.519 -6.750 -15.882 1.00 0.00 H new ATOM 0 HD3 ARG A 522 3.891 -6.103 -15.909 1.00 0.00 H new ATOM 0 HE ARG A 522 4.698 -6.476 -18.610 1.00 0.00 H new ATOM 0 HH11 ARG A 522 4.014 -8.357 -15.704 1.00 0.00 H new ATOM 0 HH12 ARG A 522 3.491 -9.782 -16.608 1.00 0.00 H new ATOM 0 HH21 ARG A 522 4.023 -8.309 -19.766 1.00 0.00 H new ATOM 0 HH22 ARG A 522 3.496 -9.755 -18.898 1.00 0.00 H new ATOM 771 N ARG A 523 6.046 -1.989 -17.629 1.00 0.00 N ATOM 772 CA ARG A 523 5.658 -0.956 -18.583 1.00 0.00 C ATOM 773 C ARG A 523 6.637 0.213 -18.546 1.00 0.00 C ATOM 774 O ARG A 523 7.114 0.668 -19.585 1.00 0.00 O ATOM 775 CB ARG A 523 4.242 -0.460 -18.282 1.00 0.00 C ATOM 776 CG ARG A 523 3.157 -1.236 -19.009 1.00 0.00 C ATOM 777 CD ARG A 523 3.244 -2.725 -18.713 1.00 0.00 C ATOM 778 NE ARG A 523 4.103 -3.423 -19.666 1.00 0.00 N ATOM 779 CZ ARG A 523 3.698 -3.820 -20.867 1.00 0.00 C ATOM 780 NH1 ARG A 523 2.453 -3.589 -21.260 1.00 0.00 N ATOM 781 NH2 ARG A 523 4.539 -4.449 -21.678 1.00 0.00 N ATOM 0 H ARG A 523 5.289 -2.312 -17.026 1.00 0.00 H new ATOM 0 HA ARG A 523 5.678 -1.392 -19.582 1.00 0.00 H new ATOM 0 HB2 ARG A 523 4.065 -0.523 -17.208 1.00 0.00 H new ATOM 0 HB3 ARG A 523 4.169 0.593 -18.556 1.00 0.00 H new ATOM 0 HG2 ARG A 523 2.178 -0.861 -18.711 1.00 0.00 H new ATOM 0 HG3 ARG A 523 3.248 -1.071 -20.083 1.00 0.00 H new ATOM 0 HD2 ARG A 523 3.628 -2.872 -17.704 1.00 0.00 H new ATOM 0 HD3 ARG A 523 2.245 -3.159 -18.740 1.00 0.00 H new ATOM 0 HE ARG A 523 5.067 -3.616 -19.394 1.00 0.00 H new ATOM 0 HH11 ARG A 523 1.804 -3.105 -20.640 1.00 0.00 H new ATOM 0 HH12 ARG A 523 2.144 -3.895 -22.183 1.00 0.00 H new ATOM 0 HH21 ARG A 523 5.498 -4.628 -21.379 1.00 0.00 H new ATOM 0 HH22 ARG A 523 4.227 -4.753 -22.600 1.00 0.00 H new ATOM 795 N GLU A 524 6.932 0.694 -17.343 1.00 0.00 N ATOM 796 CA GLU A 524 7.853 1.811 -17.172 1.00 0.00 C ATOM 797 C GLU A 524 9.291 1.377 -17.443 1.00 0.00 C ATOM 798 O GLU A 524 10.126 2.182 -17.857 1.00 0.00 O ATOM 799 CB GLU A 524 7.740 2.383 -15.757 1.00 0.00 C ATOM 800 CG GLU A 524 6.439 3.126 -15.503 1.00 0.00 C ATOM 801 CD GLU A 524 6.363 4.441 -16.254 1.00 0.00 C ATOM 802 OE1 GLU A 524 7.428 5.031 -16.530 1.00 0.00 O ATOM 803 OE2 GLU A 524 5.236 4.881 -16.566 1.00 0.00 O ATOM 0 H GLU A 524 6.547 0.328 -16.472 1.00 0.00 H new ATOM 0 HA GLU A 524 7.583 2.584 -17.891 1.00 0.00 H new ATOM 0 HB2 GLU A 524 7.831 1.570 -15.037 1.00 0.00 H new ATOM 0 HB3 GLU A 524 8.576 3.060 -15.580 1.00 0.00 H new ATOM 0 HG2 GLU A 524 5.601 2.495 -15.797 1.00 0.00 H new ATOM 0 HG3 GLU A 524 6.336 3.315 -14.435 1.00 0.00 H new ATOM 810 N ASP A 525 9.572 0.101 -17.207 1.00 0.00 N ATOM 811 CA ASP A 525 10.907 -0.442 -17.426 1.00 0.00 C ATOM 812 C ASP A 525 11.910 0.174 -16.455 1.00 0.00 C ATOM 813 O ASP A 525 12.987 0.613 -16.857 1.00 0.00 O ATOM 814 CB ASP A 525 11.353 -0.190 -18.867 1.00 0.00 C ATOM 815 CG ASP A 525 12.458 -1.131 -19.304 1.00 0.00 C ATOM 816 OD1 ASP A 525 12.165 -2.323 -19.538 1.00 0.00 O ATOM 817 OD2 ASP A 525 13.616 -0.677 -19.413 1.00 0.00 O ATOM 0 H ASP A 525 8.892 -0.578 -16.864 1.00 0.00 H new ATOM 0 HA ASP A 525 10.869 -1.517 -17.248 1.00 0.00 H new ATOM 0 HB2 ASP A 525 10.498 -0.303 -19.534 1.00 0.00 H new ATOM 0 HB3 ASP A 525 11.698 0.840 -18.963 1.00 0.00 H new ATOM 822 N GLU A 526 11.547 0.204 -15.176 1.00 0.00 N ATOM 823 CA GLU A 526 12.415 0.769 -14.149 1.00 0.00 C ATOM 824 C GLU A 526 12.517 -0.168 -12.949 1.00 0.00 C ATOM 825 O GLU A 526 11.828 -1.185 -12.881 1.00 0.00 O ATOM 826 CB GLU A 526 11.890 2.135 -13.702 1.00 0.00 C ATOM 827 CG GLU A 526 12.393 3.289 -14.553 1.00 0.00 C ATOM 828 CD GLU A 526 13.704 3.859 -14.046 1.00 0.00 C ATOM 829 OE1 GLU A 526 13.788 4.174 -12.841 1.00 0.00 O ATOM 830 OE2 GLU A 526 14.646 3.990 -14.856 1.00 0.00 O ATOM 0 H GLU A 526 10.659 -0.156 -14.827 1.00 0.00 H new ATOM 0 HA GLU A 526 13.410 0.893 -14.577 1.00 0.00 H new ATOM 0 HB2 GLU A 526 10.800 2.123 -13.729 1.00 0.00 H new ATOM 0 HB3 GLU A 526 12.181 2.305 -12.665 1.00 0.00 H new ATOM 0 HG2 GLU A 526 12.522 2.949 -15.580 1.00 0.00 H new ATOM 0 HG3 GLU A 526 11.641 4.078 -14.571 1.00 0.00 H new ATOM 837 N SER A 527 13.382 0.185 -12.003 1.00 0.00 N ATOM 838 CA SER A 527 13.579 -0.625 -10.807 1.00 0.00 C ATOM 839 C SER A 527 12.299 -0.691 -9.979 1.00 0.00 C ATOM 840 O SER A 527 11.697 0.336 -9.664 1.00 0.00 O ATOM 841 CB SER A 527 14.719 -0.055 -9.961 1.00 0.00 C ATOM 842 OG SER A 527 15.980 -0.401 -10.505 1.00 0.00 O ATOM 0 H SER A 527 13.957 1.026 -12.042 1.00 0.00 H new ATOM 0 HA SER A 527 13.840 -1.635 -11.121 1.00 0.00 H new ATOM 0 HB2 SER A 527 14.628 1.030 -9.907 1.00 0.00 H new ATOM 0 HB3 SER A 527 14.643 -0.433 -8.941 1.00 0.00 H new ATOM 0 HG SER A 527 16.692 -0.023 -9.947 1.00 0.00 H new ATOM 848 N TYR A 528 11.889 -1.905 -9.630 1.00 0.00 N ATOM 849 CA TYR A 528 10.680 -2.107 -8.841 1.00 0.00 C ATOM 850 C TYR A 528 10.602 -1.100 -7.697 1.00 0.00 C ATOM 851 O TYR A 528 9.589 -0.424 -7.518 1.00 0.00 O ATOM 852 CB TYR A 528 10.640 -3.531 -8.284 1.00 0.00 C ATOM 853 CG TYR A 528 10.307 -4.578 -9.323 1.00 0.00 C ATOM 854 CD1 TYR A 528 9.027 -4.675 -9.854 1.00 0.00 C ATOM 855 CD2 TYR A 528 11.272 -5.470 -9.773 1.00 0.00 C ATOM 856 CE1 TYR A 528 8.718 -5.630 -10.803 1.00 0.00 C ATOM 857 CE2 TYR A 528 10.972 -6.428 -10.722 1.00 0.00 C ATOM 858 CZ TYR A 528 9.694 -6.504 -11.234 1.00 0.00 C ATOM 859 OH TYR A 528 9.391 -7.457 -12.179 1.00 0.00 O ATOM 0 H TYR A 528 12.377 -2.765 -9.881 1.00 0.00 H new ATOM 0 HA TYR A 528 9.821 -1.956 -9.495 1.00 0.00 H new ATOM 0 HB2 TYR A 528 11.608 -3.766 -7.840 1.00 0.00 H new ATOM 0 HB3 TYR A 528 9.902 -3.578 -7.483 1.00 0.00 H new ATOM 0 HD1 TYR A 528 8.260 -3.992 -9.519 1.00 0.00 H new ATOM 0 HD2 TYR A 528 12.274 -5.414 -9.374 1.00 0.00 H new ATOM 0 HE1 TYR A 528 7.718 -5.692 -11.205 1.00 0.00 H new ATOM 0 HE2 TYR A 528 11.734 -7.114 -11.061 1.00 0.00 H new ATOM 0 HH TYR A 528 10.190 -7.991 -12.373 1.00 0.00 H new ATOM 869 N GLY A 529 11.681 -1.004 -6.926 1.00 0.00 N ATOM 870 CA GLY A 529 11.715 -0.078 -5.810 1.00 0.00 C ATOM 871 C GLY A 529 11.398 1.345 -6.227 1.00 0.00 C ATOM 872 O GLY A 529 10.573 2.013 -5.603 1.00 0.00 O ATOM 0 H GLY A 529 12.532 -1.551 -7.055 1.00 0.00 H new ATOM 0 HA2 GLY A 529 10.999 -0.399 -5.053 1.00 0.00 H new ATOM 0 HA3 GLY A 529 12.702 -0.107 -5.348 1.00 0.00 H new ATOM 876 N TYR A 530 12.055 1.810 -7.284 1.00 0.00 N ATOM 877 CA TYR A 530 11.842 3.164 -7.781 1.00 0.00 C ATOM 878 C TYR A 530 10.355 3.503 -7.816 1.00 0.00 C ATOM 879 O TYR A 530 9.938 4.568 -7.361 1.00 0.00 O ATOM 880 CB TYR A 530 12.445 3.317 -9.178 1.00 0.00 C ATOM 881 CG TYR A 530 12.039 4.596 -9.876 1.00 0.00 C ATOM 882 CD1 TYR A 530 12.633 5.808 -9.547 1.00 0.00 C ATOM 883 CD2 TYR A 530 11.061 4.593 -10.863 1.00 0.00 C ATOM 884 CE1 TYR A 530 12.265 6.979 -10.181 1.00 0.00 C ATOM 885 CE2 TYR A 530 10.688 5.758 -11.503 1.00 0.00 C ATOM 886 CZ TYR A 530 11.293 6.949 -11.158 1.00 0.00 C ATOM 887 OH TYR A 530 10.923 8.113 -11.793 1.00 0.00 O ATOM 0 H TYR A 530 12.739 1.269 -7.813 1.00 0.00 H new ATOM 0 HA TYR A 530 12.338 3.856 -7.101 1.00 0.00 H new ATOM 0 HB2 TYR A 530 13.532 3.284 -9.101 1.00 0.00 H new ATOM 0 HB3 TYR A 530 12.143 2.467 -9.790 1.00 0.00 H new ATOM 0 HD1 TYR A 530 13.395 5.835 -8.783 1.00 0.00 H new ATOM 0 HD2 TYR A 530 10.584 3.663 -11.134 1.00 0.00 H new ATOM 0 HE1 TYR A 530 12.736 7.913 -9.913 1.00 0.00 H new ATOM 0 HE2 TYR A 530 9.927 5.737 -12.269 1.00 0.00 H new ATOM 0 HH TYR A 530 10.227 7.918 -12.455 1.00 0.00 H new ATOM 897 N VAL A 531 9.558 2.588 -8.361 1.00 0.00 N ATOM 898 CA VAL A 531 8.117 2.788 -8.455 1.00 0.00 C ATOM 899 C VAL A 531 7.520 3.135 -7.096 1.00 0.00 C ATOM 900 O VAL A 531 7.022 4.242 -6.888 1.00 0.00 O ATOM 901 CB VAL A 531 7.412 1.536 -9.009 1.00 0.00 C ATOM 902 CG1 VAL A 531 5.911 1.763 -9.097 1.00 0.00 C ATOM 903 CG2 VAL A 531 7.983 1.160 -10.368 1.00 0.00 C ATOM 0 H VAL A 531 9.887 1.701 -8.744 1.00 0.00 H new ATOM 0 HA VAL A 531 7.957 3.620 -9.141 1.00 0.00 H new ATOM 0 HB VAL A 531 7.590 0.707 -8.324 1.00 0.00 H new ATOM 0 HG11 VAL A 531 5.430 0.868 -9.491 1.00 0.00 H new ATOM 0 HG12 VAL A 531 5.517 1.980 -8.104 1.00 0.00 H new ATOM 0 HG13 VAL A 531 5.709 2.605 -9.760 1.00 0.00 H new ATOM 0 HG21 VAL A 531 7.473 0.273 -10.744 1.00 0.00 H new ATOM 0 HG22 VAL A 531 7.837 1.985 -11.065 1.00 0.00 H new ATOM 0 HG23 VAL A 531 9.048 0.952 -10.270 1.00 0.00 H new ATOM 913 N LEU A 532 7.574 2.182 -6.172 1.00 0.00 N ATOM 914 CA LEU A 532 7.039 2.386 -4.830 1.00 0.00 C ATOM 915 C LEU A 532 7.742 1.484 -3.821 1.00 0.00 C ATOM 916 O LEU A 532 7.714 0.257 -3.923 1.00 0.00 O ATOM 917 CB LEU A 532 5.534 2.114 -4.813 1.00 0.00 C ATOM 918 CG LEU A 532 4.781 2.582 -3.568 1.00 0.00 C ATOM 919 CD1 LEU A 532 4.560 4.086 -3.612 1.00 0.00 C ATOM 920 CD2 LEU A 532 3.453 1.850 -3.440 1.00 0.00 C ATOM 0 H LEU A 532 7.983 1.260 -6.327 1.00 0.00 H new ATOM 0 HA LEU A 532 7.217 3.424 -4.548 1.00 0.00 H new ATOM 0 HB2 LEU A 532 5.089 2.594 -5.684 1.00 0.00 H new ATOM 0 HB3 LEU A 532 5.378 1.041 -4.926 1.00 0.00 H new ATOM 0 HG LEU A 532 5.387 2.349 -2.692 1.00 0.00 H new ATOM 0 HD11 LEU A 532 4.022 4.401 -2.718 1.00 0.00 H new ATOM 0 HD12 LEU A 532 5.523 4.594 -3.654 1.00 0.00 H new ATOM 0 HD13 LEU A 532 3.976 4.342 -4.496 1.00 0.00 H new ATOM 0 HD21 LEU A 532 2.931 2.196 -2.548 1.00 0.00 H new ATOM 0 HD22 LEU A 532 2.841 2.050 -4.319 1.00 0.00 H new ATOM 0 HD23 LEU A 532 3.635 0.778 -3.361 1.00 0.00 H new ATOM 932 N PRO A 533 8.385 2.103 -2.820 1.00 0.00 N ATOM 933 CA PRO A 533 9.105 1.375 -1.771 1.00 0.00 C ATOM 934 C PRO A 533 8.162 0.628 -0.833 1.00 0.00 C ATOM 935 O PRO A 533 6.942 0.724 -0.959 1.00 0.00 O ATOM 936 CB PRO A 533 9.845 2.482 -1.015 1.00 0.00 C ATOM 937 CG PRO A 533 9.037 3.710 -1.256 1.00 0.00 C ATOM 938 CD PRO A 533 8.459 3.563 -2.636 1.00 0.00 C ATOM 0 HA PRO A 533 9.762 0.609 -2.183 1.00 0.00 H new ATOM 0 HB2 PRO A 533 9.915 2.256 0.049 1.00 0.00 H new ATOM 0 HB3 PRO A 533 10.864 2.600 -1.383 1.00 0.00 H new ATOM 0 HG2 PRO A 533 8.247 3.810 -0.511 1.00 0.00 H new ATOM 0 HG3 PRO A 533 9.656 4.604 -1.186 1.00 0.00 H new ATOM 0 HD2 PRO A 533 7.476 4.028 -2.712 1.00 0.00 H new ATOM 0 HD3 PRO A 533 9.092 4.032 -3.389 1.00 0.00 H new ATOM 946 N ASN A 534 8.737 -0.115 0.107 1.00 0.00 N ATOM 947 CA ASN A 534 7.948 -0.879 1.066 1.00 0.00 C ATOM 948 C ASN A 534 7.290 0.045 2.087 1.00 0.00 C ATOM 949 O ASN A 534 6.071 0.026 2.262 1.00 0.00 O ATOM 950 CB ASN A 534 8.830 -1.903 1.783 1.00 0.00 C ATOM 951 CG ASN A 534 9.122 -3.117 0.922 1.00 0.00 C ATOM 952 OD1 ASN A 534 10.277 -3.407 0.610 1.00 0.00 O ATOM 953 ND2 ASN A 534 8.073 -3.834 0.535 1.00 0.00 N ATOM 0 H ASN A 534 9.746 -0.204 0.225 1.00 0.00 H new ATOM 0 HA ASN A 534 7.165 -1.404 0.519 1.00 0.00 H new ATOM 0 HB2 ASN A 534 9.769 -1.431 2.072 1.00 0.00 H new ATOM 0 HB3 ASN A 534 8.338 -2.222 2.702 1.00 0.00 H new ATOM 0 HD21 ASN A 534 8.207 -4.662 -0.045 1.00 0.00 H new ATOM 0 HD22 ASN A 534 7.133 -3.556 0.818 1.00 0.00 H new ATOM 960 N HIS A 535 8.104 0.853 2.758 1.00 0.00 N ATOM 961 CA HIS A 535 7.601 1.785 3.760 1.00 0.00 C ATOM 962 C HIS A 535 6.380 2.537 3.239 1.00 0.00 C ATOM 963 O HIS A 535 5.348 2.601 3.906 1.00 0.00 O ATOM 964 CB HIS A 535 8.694 2.778 4.158 1.00 0.00 C ATOM 965 CG HIS A 535 9.422 3.368 2.989 1.00 0.00 C ATOM 966 ND1 HIS A 535 8.947 4.448 2.275 1.00 0.00 N ATOM 967 CD2 HIS A 535 10.596 3.024 2.412 1.00 0.00 C ATOM 968 CE1 HIS A 535 9.798 4.741 1.308 1.00 0.00 C ATOM 969 NE2 HIS A 535 10.808 3.892 1.369 1.00 0.00 N ATOM 0 H HIS A 535 9.115 0.881 2.626 1.00 0.00 H new ATOM 0 HA HIS A 535 7.305 1.211 4.638 1.00 0.00 H new ATOM 0 HB2 HIS A 535 8.247 3.583 4.741 1.00 0.00 H new ATOM 0 HB3 HIS A 535 9.412 2.275 4.806 1.00 0.00 H new ATOM 0 HD2 HIS A 535 11.246 2.217 2.715 1.00 0.00 H new ATOM 0 HE1 HIS A 535 9.687 5.539 0.589 1.00 0.00 H new ATOM 0 HE2 HIS A 535 11.614 3.883 0.744 1.00 0.00 H new ATOM 977 N MET A 536 6.506 3.104 2.044 1.00 0.00 N ATOM 978 CA MET A 536 5.412 3.851 1.434 1.00 0.00 C ATOM 979 C MET A 536 4.197 2.955 1.216 1.00 0.00 C ATOM 980 O MET A 536 3.110 3.235 1.718 1.00 0.00 O ATOM 981 CB MET A 536 5.860 4.456 0.102 1.00 0.00 C ATOM 982 CG MET A 536 4.883 5.476 -0.461 1.00 0.00 C ATOM 983 SD MET A 536 5.019 7.085 0.342 1.00 0.00 S ATOM 984 CE MET A 536 6.577 7.666 -0.324 1.00 0.00 C ATOM 0 H MET A 536 7.354 3.061 1.479 1.00 0.00 H new ATOM 0 HA MET A 536 5.131 4.655 2.114 1.00 0.00 H new ATOM 0 HB2 MET A 536 6.832 4.931 0.237 1.00 0.00 H new ATOM 0 HB3 MET A 536 5.995 3.655 -0.625 1.00 0.00 H new ATOM 0 HG2 MET A 536 5.061 5.592 -1.530 1.00 0.00 H new ATOM 0 HG3 MET A 536 3.866 5.101 -0.345 1.00 0.00 H new ATOM 0 HE1 MET A 536 6.950 8.488 0.287 1.00 0.00 H new ATOM 0 HE2 MET A 536 7.302 6.852 -0.318 1.00 0.00 H new ATOM 0 HE3 MET A 536 6.429 8.012 -1.347 1.00 0.00 H new ATOM 994 N MET A 537 4.390 1.877 0.463 1.00 0.00 N ATOM 995 CA MET A 537 3.310 0.939 0.179 1.00 0.00 C ATOM 996 C MET A 537 2.528 0.611 1.448 1.00 0.00 C ATOM 997 O MET A 537 1.300 0.701 1.473 1.00 0.00 O ATOM 998 CB MET A 537 3.868 -0.345 -0.436 1.00 0.00 C ATOM 999 CG MET A 537 2.810 -1.211 -1.100 1.00 0.00 C ATOM 1000 SD MET A 537 3.208 -2.968 -1.033 1.00 0.00 S ATOM 1001 CE MET A 537 4.644 -3.031 -2.102 1.00 0.00 C ATOM 0 H MET A 537 5.284 1.631 0.038 1.00 0.00 H new ATOM 0 HA MET A 537 2.632 1.409 -0.534 1.00 0.00 H new ATOM 0 HB2 MET A 537 4.628 -0.085 -1.173 1.00 0.00 H new ATOM 0 HB3 MET A 537 4.364 -0.925 0.342 1.00 0.00 H new ATOM 0 HG2 MET A 537 1.849 -1.041 -0.614 1.00 0.00 H new ATOM 0 HG3 MET A 537 2.698 -0.907 -2.141 1.00 0.00 H new ATOM 0 HE1 MET A 537 4.997 -4.059 -2.176 1.00 0.00 H new ATOM 0 HE2 MET A 537 4.376 -2.667 -3.094 1.00 0.00 H new ATOM 0 HE3 MET A 537 5.434 -2.405 -1.687 1.00 0.00 H new ATOM 1011 N LEU A 538 3.247 0.231 2.498 1.00 0.00 N ATOM 1012 CA LEU A 538 2.621 -0.112 3.770 1.00 0.00 C ATOM 1013 C LEU A 538 1.807 1.061 4.309 1.00 0.00 C ATOM 1014 O LEU A 538 0.611 0.933 4.570 1.00 0.00 O ATOM 1015 CB LEU A 538 3.684 -0.522 4.791 1.00 0.00 C ATOM 1016 CG LEU A 538 4.224 -1.946 4.661 1.00 0.00 C ATOM 1017 CD1 LEU A 538 5.506 -2.106 5.464 1.00 0.00 C ATOM 1018 CD2 LEU A 538 3.180 -2.956 5.113 1.00 0.00 C ATOM 0 H LEU A 538 4.264 0.153 2.494 1.00 0.00 H new ATOM 0 HA LEU A 538 1.947 -0.952 3.601 1.00 0.00 H new ATOM 0 HB2 LEU A 538 4.521 0.171 4.712 1.00 0.00 H new ATOM 0 HB3 LEU A 538 3.265 -0.403 5.790 1.00 0.00 H new ATOM 0 HG LEU A 538 4.451 -2.133 3.611 1.00 0.00 H new ATOM 0 HD11 LEU A 538 5.876 -3.126 5.360 1.00 0.00 H new ATOM 0 HD12 LEU A 538 6.257 -1.408 5.094 1.00 0.00 H new ATOM 0 HD13 LEU A 538 5.305 -1.899 6.515 1.00 0.00 H new ATOM 0 HD21 LEU A 538 3.582 -3.964 5.013 1.00 0.00 H new ATOM 0 HD22 LEU A 538 2.921 -2.770 6.155 1.00 0.00 H new ATOM 0 HD23 LEU A 538 2.288 -2.859 4.495 1.00 0.00 H new ATOM 1030 N LYS A 539 2.464 2.204 4.473 1.00 0.00 N ATOM 1031 CA LYS A 539 1.803 3.402 4.977 1.00 0.00 C ATOM 1032 C LYS A 539 0.454 3.606 4.296 1.00 0.00 C ATOM 1033 O LYS A 539 -0.522 4.001 4.935 1.00 0.00 O ATOM 1034 CB LYS A 539 2.689 4.630 4.757 1.00 0.00 C ATOM 1035 CG LYS A 539 2.243 5.851 5.543 1.00 0.00 C ATOM 1036 CD LYS A 539 1.190 6.646 4.788 1.00 0.00 C ATOM 1037 CE LYS A 539 0.816 7.920 5.531 1.00 0.00 C ATOM 1038 NZ LYS A 539 1.946 8.889 5.574 1.00 0.00 N ATOM 0 H LYS A 539 3.455 2.326 4.264 1.00 0.00 H new ATOM 0 HA LYS A 539 1.634 3.271 6.046 1.00 0.00 H new ATOM 0 HB2 LYS A 539 3.713 4.383 5.036 1.00 0.00 H new ATOM 0 HB3 LYS A 539 2.698 4.875 3.695 1.00 0.00 H new ATOM 0 HG2 LYS A 539 1.842 5.538 6.507 1.00 0.00 H new ATOM 0 HG3 LYS A 539 3.104 6.488 5.747 1.00 0.00 H new ATOM 0 HD2 LYS A 539 1.565 6.898 3.796 1.00 0.00 H new ATOM 0 HD3 LYS A 539 0.301 6.032 4.646 1.00 0.00 H new ATOM 0 HE2 LYS A 539 -0.043 8.385 5.046 1.00 0.00 H new ATOM 0 HE3 LYS A 539 0.512 7.671 6.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 539 2.221 9.058 6.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 539 2.756 8.501 5.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 539 1.651 9.786 5.139 1.00 0.00 H new ATOM 1052 N ILE A 540 0.405 3.334 2.996 1.00 0.00 N ATOM 1053 CA ILE A 540 -0.825 3.486 2.229 1.00 0.00 C ATOM 1054 C ILE A 540 -1.812 2.368 2.546 1.00 0.00 C ATOM 1055 O ILE A 540 -2.937 2.622 2.975 1.00 0.00 O ATOM 1056 CB ILE A 540 -0.547 3.497 0.715 1.00 0.00 C ATOM 1057 CG1 ILE A 540 0.453 4.601 0.365 1.00 0.00 C ATOM 1058 CG2 ILE A 540 -1.843 3.683 -0.061 1.00 0.00 C ATOM 1059 CD1 ILE A 540 1.112 4.414 -0.984 1.00 0.00 C ATOM 0 H ILE A 540 1.203 3.007 2.452 1.00 0.00 H new ATOM 0 HA ILE A 540 -1.260 4.443 2.516 1.00 0.00 H new ATOM 0 HB ILE A 540 -0.113 2.538 0.434 1.00 0.00 H new ATOM 0 HG12 ILE A 540 -0.060 5.563 0.380 1.00 0.00 H new ATOM 0 HG13 ILE A 540 1.224 4.639 1.135 1.00 0.00 H new ATOM 0 HG21 ILE A 540 -1.629 3.689 -1.130 1.00 0.00 H new ATOM 0 HG22 ILE A 540 -2.525 2.864 0.168 1.00 0.00 H new ATOM 0 HG23 ILE A 540 -2.304 4.629 0.222 1.00 0.00 H new ATOM 0 HD11 ILE A 540 1.808 5.233 -1.166 1.00 0.00 H new ATOM 0 HD12 ILE A 540 1.654 3.468 -0.996 1.00 0.00 H new ATOM 0 HD13 ILE A 540 0.350 4.406 -1.763 1.00 0.00 H new ATOM 1071 N ALA A 541 -1.381 1.129 2.333 1.00 0.00 N ATOM 1072 CA ALA A 541 -2.225 -0.030 2.600 1.00 0.00 C ATOM 1073 C ALA A 541 -2.880 0.072 3.973 1.00 0.00 C ATOM 1074 O ALA A 541 -4.066 -0.214 4.128 1.00 0.00 O ATOM 1075 CB ALA A 541 -1.412 -1.311 2.495 1.00 0.00 C ATOM 0 H ALA A 541 -0.453 0.902 1.976 1.00 0.00 H new ATOM 0 HA ALA A 541 -3.016 -0.052 1.850 1.00 0.00 H new ATOM 0 HB1 ALA A 541 -2.055 -2.168 2.697 1.00 0.00 H new ATOM 0 HB2 ALA A 541 -0.997 -1.397 1.491 1.00 0.00 H new ATOM 0 HB3 ALA A 541 -0.600 -1.287 3.222 1.00 0.00 H new ATOM 1081 N GLU A 542 -2.098 0.482 4.968 1.00 0.00 N ATOM 1082 CA GLU A 542 -2.603 0.620 6.329 1.00 0.00 C ATOM 1083 C GLU A 542 -3.525 1.829 6.447 1.00 0.00 C ATOM 1084 O GLU A 542 -4.536 1.786 7.147 1.00 0.00 O ATOM 1085 CB GLU A 542 -1.442 0.752 7.316 1.00 0.00 C ATOM 1086 CG GLU A 542 -0.472 -0.418 7.276 1.00 0.00 C ATOM 1087 CD GLU A 542 0.525 -0.389 8.418 1.00 0.00 C ATOM 1088 OE1 GLU A 542 0.123 -0.037 9.547 1.00 0.00 O ATOM 1089 OE2 GLU A 542 1.706 -0.717 8.183 1.00 0.00 O ATOM 0 H GLU A 542 -1.113 0.724 4.857 1.00 0.00 H new ATOM 0 HA GLU A 542 -3.175 -0.276 6.570 1.00 0.00 H new ATOM 0 HB2 GLU A 542 -0.898 1.672 7.102 1.00 0.00 H new ATOM 0 HB3 GLU A 542 -1.843 0.846 8.325 1.00 0.00 H new ATOM 0 HG2 GLU A 542 -1.033 -1.352 7.312 1.00 0.00 H new ATOM 0 HG3 GLU A 542 0.066 -0.406 6.328 1.00 0.00 H new ATOM 1096 N GLU A 543 -3.169 2.908 5.756 1.00 0.00 N ATOM 1097 CA GLU A 543 -3.964 4.130 5.785 1.00 0.00 C ATOM 1098 C GLU A 543 -5.362 3.883 5.226 1.00 0.00 C ATOM 1099 O GLU A 543 -6.364 4.212 5.862 1.00 0.00 O ATOM 1100 CB GLU A 543 -3.271 5.235 4.985 1.00 0.00 C ATOM 1101 CG GLU A 543 -2.252 6.023 5.791 1.00 0.00 C ATOM 1102 CD GLU A 543 -2.898 6.948 6.803 1.00 0.00 C ATOM 1103 OE1 GLU A 543 -3.770 7.748 6.405 1.00 0.00 O ATOM 1104 OE2 GLU A 543 -2.532 6.872 7.995 1.00 0.00 O ATOM 0 H GLU A 543 -2.336 2.960 5.170 1.00 0.00 H new ATOM 0 HA GLU A 543 -4.058 4.447 6.824 1.00 0.00 H new ATOM 0 HB2 GLU A 543 -2.774 4.790 4.123 1.00 0.00 H new ATOM 0 HB3 GLU A 543 -4.026 5.921 4.600 1.00 0.00 H new ATOM 0 HG2 GLU A 543 -1.590 5.330 6.309 1.00 0.00 H new ATOM 0 HG3 GLU A 543 -1.632 6.609 5.112 1.00 0.00 H new ATOM 1111 N LEU A 544 -5.421 3.302 4.033 1.00 0.00 N ATOM 1112 CA LEU A 544 -6.696 3.010 3.387 1.00 0.00 C ATOM 1113 C LEU A 544 -7.494 4.289 3.155 1.00 0.00 C ATOM 1114 O LEU A 544 -8.659 4.401 3.537 1.00 0.00 O ATOM 1115 CB LEU A 544 -7.511 2.035 4.238 1.00 0.00 C ATOM 1116 CG LEU A 544 -6.886 0.658 4.464 1.00 0.00 C ATOM 1117 CD1 LEU A 544 -7.856 -0.255 5.198 1.00 0.00 C ATOM 1118 CD2 LEU A 544 -6.467 0.038 3.139 1.00 0.00 C ATOM 0 H LEU A 544 -4.601 3.024 3.493 1.00 0.00 H new ATOM 0 HA LEU A 544 -6.488 2.552 2.420 1.00 0.00 H new ATOM 0 HB2 LEU A 544 -7.690 2.495 5.210 1.00 0.00 H new ATOM 0 HB3 LEU A 544 -8.484 1.897 3.766 1.00 0.00 H new ATOM 0 HG LEU A 544 -5.997 0.782 5.082 1.00 0.00 H new ATOM 0 HD11 LEU A 544 -7.394 -1.230 5.350 1.00 0.00 H new ATOM 0 HD12 LEU A 544 -8.107 0.182 6.165 1.00 0.00 H new ATOM 0 HD13 LEU A 544 -8.764 -0.372 4.606 1.00 0.00 H new ATOM 0 HD21 LEU A 544 -6.024 -0.942 3.319 1.00 0.00 H new ATOM 0 HD22 LEU A 544 -7.340 -0.071 2.496 1.00 0.00 H new ATOM 0 HD23 LEU A 544 -5.736 0.682 2.651 1.00 0.00 H new ATOM 1130 N PRO A 545 -6.855 5.278 2.512 1.00 0.00 N ATOM 1131 CA PRO A 545 -7.487 6.566 2.212 1.00 0.00 C ATOM 1132 C PRO A 545 -8.573 6.445 1.149 1.00 0.00 C ATOM 1133 O PRO A 545 -8.293 6.124 -0.007 1.00 0.00 O ATOM 1134 CB PRO A 545 -6.326 7.419 1.695 1.00 0.00 C ATOM 1135 CG PRO A 545 -5.342 6.436 1.161 1.00 0.00 C ATOM 1136 CD PRO A 545 -5.465 5.214 2.028 1.00 0.00 C ATOM 0 HA PRO A 545 -7.988 6.987 3.084 1.00 0.00 H new ATOM 0 HB2 PRO A 545 -6.657 8.109 0.919 1.00 0.00 H new ATOM 0 HB3 PRO A 545 -5.891 8.021 2.493 1.00 0.00 H new ATOM 0 HG2 PRO A 545 -5.555 6.198 0.119 1.00 0.00 H new ATOM 0 HG3 PRO A 545 -4.330 6.839 1.196 1.00 0.00 H new ATOM 0 HD2 PRO A 545 -5.278 4.300 1.464 1.00 0.00 H new ATOM 0 HD3 PRO A 545 -4.751 5.232 2.852 1.00 0.00 H new ATOM 1144 N LYS A 546 -9.815 6.703 1.546 1.00 0.00 N ATOM 1145 CA LYS A 546 -10.944 6.625 0.627 1.00 0.00 C ATOM 1146 C LYS A 546 -10.726 7.530 -0.582 1.00 0.00 C ATOM 1147 O LYS A 546 -11.148 7.209 -1.692 1.00 0.00 O ATOM 1148 CB LYS A 546 -12.239 7.017 1.343 1.00 0.00 C ATOM 1149 CG LYS A 546 -12.216 8.424 1.914 1.00 0.00 C ATOM 1150 CD LYS A 546 -13.589 8.848 2.408 1.00 0.00 C ATOM 1151 CE LYS A 546 -14.394 9.522 1.307 1.00 0.00 C ATOM 1152 NZ LYS A 546 -15.657 10.116 1.828 1.00 0.00 N ATOM 0 H LYS A 546 -10.065 6.968 2.499 1.00 0.00 H new ATOM 0 HA LYS A 546 -11.025 5.596 0.278 1.00 0.00 H new ATOM 0 HB2 LYS A 546 -13.071 6.931 0.644 1.00 0.00 H new ATOM 0 HB3 LYS A 546 -12.426 6.309 2.150 1.00 0.00 H new ATOM 0 HG2 LYS A 546 -11.502 8.472 2.736 1.00 0.00 H new ATOM 0 HG3 LYS A 546 -11.871 9.122 1.151 1.00 0.00 H new ATOM 0 HD2 LYS A 546 -14.130 7.976 2.774 1.00 0.00 H new ATOM 0 HD3 LYS A 546 -13.479 9.531 3.250 1.00 0.00 H new ATOM 0 HE2 LYS A 546 -13.791 10.302 0.841 1.00 0.00 H new ATOM 0 HE3 LYS A 546 -14.628 8.794 0.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 546 -16.177 10.566 1.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 546 -16.244 9.368 2.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 546 -15.433 10.829 2.551 1.00 0.00 H new ATOM 1166 N GLU A 547 -10.063 8.660 -0.357 1.00 0.00 N ATOM 1167 CA GLU A 547 -9.789 9.610 -1.429 1.00 0.00 C ATOM 1168 C GLU A 547 -8.396 9.386 -2.012 1.00 0.00 C ATOM 1169 O GLU A 547 -7.522 8.789 -1.384 1.00 0.00 O ATOM 1170 CB GLU A 547 -9.913 11.045 -0.914 1.00 0.00 C ATOM 1171 CG GLU A 547 -11.313 11.621 -1.048 1.00 0.00 C ATOM 1172 CD GLU A 547 -11.453 12.976 -0.381 1.00 0.00 C ATOM 1173 OE1 GLU A 547 -11.366 13.037 0.863 1.00 0.00 O ATOM 1174 OE2 GLU A 547 -11.648 13.975 -1.105 1.00 0.00 O ATOM 0 H GLU A 547 -9.706 8.940 0.557 1.00 0.00 H new ATOM 0 HA GLU A 547 -10.524 9.450 -2.217 1.00 0.00 H new ATOM 0 HB2 GLU A 547 -9.617 11.073 0.135 1.00 0.00 H new ATOM 0 HB3 GLU A 547 -9.214 11.679 -1.459 1.00 0.00 H new ATOM 0 HG2 GLU A 547 -11.564 11.713 -2.105 1.00 0.00 H new ATOM 0 HG3 GLU A 547 -12.030 10.928 -0.609 1.00 0.00 H new ATOM 1181 N PRO A 548 -8.184 9.875 -3.243 1.00 0.00 N ATOM 1182 CA PRO A 548 -6.901 9.741 -3.937 1.00 0.00 C ATOM 1183 C PRO A 548 -5.806 10.593 -3.304 1.00 0.00 C ATOM 1184 O PRO A 548 -4.619 10.319 -3.473 1.00 0.00 O ATOM 1185 CB PRO A 548 -7.210 10.235 -5.353 1.00 0.00 C ATOM 1186 CG PRO A 548 -8.371 11.154 -5.188 1.00 0.00 C ATOM 1187 CD PRO A 548 -9.181 10.598 -4.050 1.00 0.00 C ATOM 0 HA PRO A 548 -6.523 8.719 -3.899 1.00 0.00 H new ATOM 0 HB2 PRO A 548 -6.354 10.752 -5.788 1.00 0.00 H new ATOM 0 HB3 PRO A 548 -7.453 9.406 -6.018 1.00 0.00 H new ATOM 0 HG2 PRO A 548 -8.038 12.169 -4.970 1.00 0.00 H new ATOM 0 HG3 PRO A 548 -8.963 11.202 -6.102 1.00 0.00 H new ATOM 0 HD2 PRO A 548 -9.665 11.389 -3.477 1.00 0.00 H new ATOM 0 HD3 PRO A 548 -9.969 9.934 -4.405 1.00 0.00 H new ATOM 1195 N GLN A 549 -6.215 11.626 -2.574 1.00 0.00 N ATOM 1196 CA GLN A 549 -5.268 12.518 -1.915 1.00 0.00 C ATOM 1197 C GLN A 549 -4.422 11.759 -0.899 1.00 0.00 C ATOM 1198 O GLN A 549 -3.213 11.966 -0.804 1.00 0.00 O ATOM 1199 CB GLN A 549 -6.010 13.664 -1.225 1.00 0.00 C ATOM 1200 CG GLN A 549 -5.166 14.916 -1.047 1.00 0.00 C ATOM 1201 CD GLN A 549 -5.987 16.120 -0.631 1.00 0.00 C ATOM 1202 OE1 GLN A 549 -7.169 15.998 -0.307 1.00 0.00 O ATOM 1203 NE2 GLN A 549 -5.365 17.293 -0.639 1.00 0.00 N ATOM 0 H GLN A 549 -7.195 11.866 -2.424 1.00 0.00 H new ATOM 0 HA GLN A 549 -4.605 12.930 -2.676 1.00 0.00 H new ATOM 0 HB2 GLN A 549 -6.897 13.914 -1.807 1.00 0.00 H new ATOM 0 HB3 GLN A 549 -6.355 13.326 -0.248 1.00 0.00 H new ATOM 0 HG2 GLN A 549 -4.398 14.728 -0.297 1.00 0.00 H new ATOM 0 HG3 GLN A 549 -4.651 15.138 -1.982 1.00 0.00 H new ATOM 0 HE21 GLN A 549 -4.384 17.348 -0.914 1.00 0.00 H new ATOM 0 HE22 GLN A 549 -5.868 18.139 -0.370 1.00 0.00 H new ATOM 1212 N GLY A 550 -5.067 10.879 -0.139 1.00 0.00 N ATOM 1213 CA GLY A 550 -4.358 10.102 0.861 1.00 0.00 C ATOM 1214 C GLY A 550 -3.211 9.306 0.271 1.00 0.00 C ATOM 1215 O GLY A 550 -2.248 8.983 0.968 1.00 0.00 O ATOM 0 H GLY A 550 -6.068 10.690 -0.198 1.00 0.00 H new ATOM 0 HA2 GLY A 550 -3.974 10.771 1.631 1.00 0.00 H new ATOM 0 HA3 GLY A 550 -5.055 9.421 1.349 1.00 0.00 H new ATOM 1219 N ILE A 551 -3.314 8.986 -1.014 1.00 0.00 N ATOM 1220 CA ILE A 551 -2.278 8.222 -1.697 1.00 0.00 C ATOM 1221 C ILE A 551 -1.123 9.122 -2.125 1.00 0.00 C ATOM 1222 O ILE A 551 -0.017 8.648 -2.385 1.00 0.00 O ATOM 1223 CB ILE A 551 -2.836 7.498 -2.936 1.00 0.00 C ATOM 1224 CG1 ILE A 551 -3.929 6.509 -2.526 1.00 0.00 C ATOM 1225 CG2 ILE A 551 -1.718 6.782 -3.679 1.00 0.00 C ATOM 1226 CD1 ILE A 551 -5.324 7.091 -2.585 1.00 0.00 C ATOM 0 H ILE A 551 -4.105 9.244 -1.604 1.00 0.00 H new ATOM 0 HA ILE A 551 -1.914 7.480 -0.987 1.00 0.00 H new ATOM 0 HB ILE A 551 -3.274 8.239 -3.605 1.00 0.00 H new ATOM 0 HG12 ILE A 551 -3.881 5.636 -3.177 1.00 0.00 H new ATOM 0 HG13 ILE A 551 -3.732 6.162 -1.512 1.00 0.00 H new ATOM 0 HG21 ILE A 551 -2.128 6.275 -4.552 1.00 0.00 H new ATOM 0 HG22 ILE A 551 -0.970 7.508 -3.999 1.00 0.00 H new ATOM 0 HG23 ILE A 551 -1.253 6.049 -3.019 1.00 0.00 H new ATOM 0 HD11 ILE A 551 -6.047 6.334 -2.281 1.00 0.00 H new ATOM 0 HD12 ILE A 551 -5.390 7.946 -1.913 1.00 0.00 H new ATOM 0 HD13 ILE A 551 -5.541 7.412 -3.604 1.00 0.00 H new ATOM 1238 N ILE A 552 -1.388 10.422 -2.195 1.00 0.00 N ATOM 1239 CA ILE A 552 -0.371 11.389 -2.589 1.00 0.00 C ATOM 1240 C ILE A 552 0.381 11.921 -1.374 1.00 0.00 C ATOM 1241 O ILE A 552 1.591 12.142 -1.428 1.00 0.00 O ATOM 1242 CB ILE A 552 -0.987 12.573 -3.356 1.00 0.00 C ATOM 1243 CG1 ILE A 552 -1.721 12.076 -4.603 1.00 0.00 C ATOM 1244 CG2 ILE A 552 0.092 13.577 -3.735 1.00 0.00 C ATOM 1245 CD1 ILE A 552 -2.379 13.181 -5.398 1.00 0.00 C ATOM 0 H ILE A 552 -2.299 10.830 -1.984 1.00 0.00 H new ATOM 0 HA ILE A 552 0.325 10.865 -3.244 1.00 0.00 H new ATOM 0 HB ILE A 552 -1.708 13.071 -2.708 1.00 0.00 H new ATOM 0 HG12 ILE A 552 -1.015 11.549 -5.245 1.00 0.00 H new ATOM 0 HG13 ILE A 552 -2.480 11.353 -4.304 1.00 0.00 H new ATOM 0 HG21 ILE A 552 -0.359 14.408 -4.277 1.00 0.00 H new ATOM 0 HG22 ILE A 552 0.574 13.951 -2.832 1.00 0.00 H new ATOM 0 HG23 ILE A 552 0.835 13.091 -4.368 1.00 0.00 H new ATOM 0 HD11 ILE A 552 -2.880 12.755 -6.267 1.00 0.00 H new ATOM 0 HD12 ILE A 552 -3.110 13.693 -4.773 1.00 0.00 H new ATOM 0 HD13 ILE A 552 -1.622 13.892 -5.728 1.00 0.00 H new ATOM 1257 N ALA A 553 -0.343 12.122 -0.278 1.00 0.00 N ATOM 1258 CA ALA A 553 0.257 12.624 0.952 1.00 0.00 C ATOM 1259 C ALA A 553 1.393 11.721 1.418 1.00 0.00 C ATOM 1260 O ALA A 553 2.492 12.192 1.714 1.00 0.00 O ATOM 1261 CB ALA A 553 -0.799 12.751 2.041 1.00 0.00 C ATOM 0 H ALA A 553 -1.346 11.945 -0.217 1.00 0.00 H new ATOM 0 HA ALA A 553 0.673 13.610 0.747 1.00 0.00 H new ATOM 0 HB1 ALA A 553 -0.337 13.127 2.954 1.00 0.00 H new ATOM 0 HB2 ALA A 553 -1.576 13.443 1.716 1.00 0.00 H new ATOM 0 HB3 ALA A 553 -1.242 11.774 2.234 1.00 0.00 H new ATOM 1267 N CYS A 554 1.122 10.422 1.480 1.00 0.00 N ATOM 1268 CA CYS A 554 2.123 9.452 1.911 1.00 0.00 C ATOM 1269 C CYS A 554 3.458 9.702 1.217 1.00 0.00 C ATOM 1270 O CYS A 554 4.521 9.505 1.805 1.00 0.00 O ATOM 1271 CB CYS A 554 1.642 8.029 1.621 1.00 0.00 C ATOM 1272 SG CYS A 554 1.409 7.673 -0.136 1.00 0.00 S ATOM 0 H CYS A 554 0.218 10.016 1.238 1.00 0.00 H new ATOM 0 HA CYS A 554 2.266 9.568 2.985 1.00 0.00 H new ATOM 0 HB2 CYS A 554 2.363 7.322 2.031 1.00 0.00 H new ATOM 0 HB3 CYS A 554 0.700 7.862 2.143 1.00 0.00 H new ATOM 0 HG CYS A 554 0.946 8.730 -0.735 1.00 0.00 H new ATOM 1278 N CYS A 555 3.394 10.137 -0.036 1.00 0.00 N ATOM 1279 CA CYS A 555 4.598 10.412 -0.812 1.00 0.00 C ATOM 1280 C CYS A 555 5.075 11.843 -0.587 1.00 0.00 C ATOM 1281 O CYS A 555 4.442 12.797 -1.036 1.00 0.00 O ATOM 1282 CB CYS A 555 4.335 10.178 -2.301 1.00 0.00 C ATOM 1283 SG CYS A 555 3.486 8.624 -2.665 1.00 0.00 S ATOM 0 H CYS A 555 2.522 10.307 -0.536 1.00 0.00 H new ATOM 0 HA CYS A 555 5.380 9.730 -0.477 1.00 0.00 H new ATOM 0 HB2 CYS A 555 3.739 11.005 -2.688 1.00 0.00 H new ATOM 0 HB3 CYS A 555 5.286 10.194 -2.834 1.00 0.00 H new ATOM 0 HG CYS A 555 2.680 8.331 -1.688 1.00 0.00 H new ATOM 1289 N ASN A 556 6.196 11.984 0.114 1.00 0.00 N ATOM 1290 CA ASN A 556 6.757 13.299 0.402 1.00 0.00 C ATOM 1291 C ASN A 556 8.265 13.308 0.173 1.00 0.00 C ATOM 1292 O ASN A 556 9.045 12.814 0.988 1.00 0.00 O ATOM 1293 CB ASN A 556 6.446 13.704 1.844 1.00 0.00 C ATOM 1294 CG ASN A 556 6.603 15.195 2.072 1.00 0.00 C ATOM 1295 OD1 ASN A 556 6.764 15.966 1.126 1.00 0.00 O ATOM 1296 ND2 ASN A 556 6.559 15.609 3.334 1.00 0.00 N ATOM 0 H ASN A 556 6.733 11.204 0.493 1.00 0.00 H new ATOM 0 HA ASN A 556 6.300 14.019 -0.277 1.00 0.00 H new ATOM 0 HB2 ASN A 556 5.427 13.407 2.090 1.00 0.00 H new ATOM 0 HB3 ASN A 556 7.108 13.164 2.521 1.00 0.00 H new ATOM 0 HD21 ASN A 556 6.661 16.601 3.549 1.00 0.00 H new ATOM 0 HD22 ASN A 556 6.424 14.935 4.087 1.00 0.00 H new ATOM 1303 N PRO A 557 8.688 13.884 -0.962 1.00 0.00 N ATOM 1304 CA PRO A 557 7.769 14.475 -1.940 1.00 0.00 C ATOM 1305 C PRO A 557 6.941 13.421 -2.667 1.00 0.00 C ATOM 1306 O PRO A 557 6.921 12.254 -2.276 1.00 0.00 O ATOM 1307 CB PRO A 557 8.704 15.189 -2.918 1.00 0.00 C ATOM 1308 CG PRO A 557 9.998 14.459 -2.808 1.00 0.00 C ATOM 1309 CD PRO A 557 10.095 14.003 -1.379 1.00 0.00 C ATOM 0 HA PRO A 557 7.040 15.134 -1.469 1.00 0.00 H new ATOM 0 HB2 PRO A 557 8.315 15.153 -3.935 1.00 0.00 H new ATOM 0 HB3 PRO A 557 8.820 16.241 -2.658 1.00 0.00 H new ATOM 0 HG2 PRO A 557 10.027 13.610 -3.491 1.00 0.00 H new ATOM 0 HG3 PRO A 557 10.835 15.107 -3.069 1.00 0.00 H new ATOM 0 HD2 PRO A 557 10.621 13.052 -1.296 1.00 0.00 H new ATOM 0 HD3 PRO A 557 10.637 14.721 -0.764 1.00 0.00 H new ATOM 1317 N VAL A 558 6.259 13.840 -3.729 1.00 0.00 N ATOM 1318 CA VAL A 558 5.431 12.931 -4.512 1.00 0.00 C ATOM 1319 C VAL A 558 6.069 12.632 -5.863 1.00 0.00 C ATOM 1320 O VAL A 558 6.404 13.533 -6.633 1.00 0.00 O ATOM 1321 CB VAL A 558 4.022 13.511 -4.740 1.00 0.00 C ATOM 1322 CG1 VAL A 558 3.183 12.563 -5.582 1.00 0.00 C ATOM 1323 CG2 VAL A 558 3.343 13.798 -3.409 1.00 0.00 C ATOM 0 H VAL A 558 6.264 14.803 -4.066 1.00 0.00 H new ATOM 0 HA VAL A 558 5.348 12.007 -3.940 1.00 0.00 H new ATOM 0 HB VAL A 558 4.119 14.451 -5.283 1.00 0.00 H new ATOM 0 HG11 VAL A 558 2.191 12.990 -5.732 1.00 0.00 H new ATOM 0 HG12 VAL A 558 3.664 12.413 -6.549 1.00 0.00 H new ATOM 0 HG13 VAL A 558 3.092 11.605 -5.070 1.00 0.00 H new ATOM 0 HG21 VAL A 558 2.349 14.207 -3.588 1.00 0.00 H new ATOM 0 HG22 VAL A 558 3.257 12.874 -2.838 1.00 0.00 H new ATOM 0 HG23 VAL A 558 3.936 14.519 -2.846 1.00 0.00 H new ATOM 1333 N PRO A 559 6.243 11.336 -6.162 1.00 0.00 N ATOM 1334 CA PRO A 559 6.842 10.887 -7.422 1.00 0.00 C ATOM 1335 C PRO A 559 5.933 11.141 -8.619 1.00 0.00 C ATOM 1336 O PRO A 559 4.730 11.363 -8.480 1.00 0.00 O ATOM 1337 CB PRO A 559 7.035 9.383 -7.207 1.00 0.00 C ATOM 1338 CG PRO A 559 6.012 9.012 -6.190 1.00 0.00 C ATOM 1339 CD PRO A 559 5.867 10.209 -5.292 1.00 0.00 C ATOM 0 HA PRO A 559 7.765 11.421 -7.648 1.00 0.00 H new ATOM 0 HB2 PRO A 559 6.891 8.829 -8.134 1.00 0.00 H new ATOM 0 HB3 PRO A 559 8.042 9.159 -6.855 1.00 0.00 H new ATOM 0 HG2 PRO A 559 5.063 8.763 -6.664 1.00 0.00 H new ATOM 0 HG3 PRO A 559 6.325 8.135 -5.624 1.00 0.00 H new ATOM 0 HD2 PRO A 559 4.847 10.311 -4.920 1.00 0.00 H new ATOM 0 HD3 PRO A 559 6.518 10.139 -4.421 1.00 0.00 H new ATOM 1347 N PRO A 560 6.518 11.109 -9.825 1.00 0.00 N ATOM 1348 CA PRO A 560 5.778 11.333 -11.071 1.00 0.00 C ATOM 1349 C PRO A 560 4.826 10.187 -11.394 1.00 0.00 C ATOM 1350 O PRO A 560 3.887 10.347 -12.174 1.00 0.00 O ATOM 1351 CB PRO A 560 6.882 11.426 -12.128 1.00 0.00 C ATOM 1352 CG PRO A 560 8.020 10.653 -11.556 1.00 0.00 C ATOM 1353 CD PRO A 560 7.948 10.851 -10.067 1.00 0.00 C ATOM 0 HA PRO A 560 5.146 12.220 -11.016 1.00 0.00 H new ATOM 0 HB2 PRO A 560 6.556 11.005 -13.079 1.00 0.00 H new ATOM 0 HB3 PRO A 560 7.163 12.462 -12.317 1.00 0.00 H new ATOM 0 HG2 PRO A 560 7.943 9.597 -11.813 1.00 0.00 H new ATOM 0 HG3 PRO A 560 8.971 11.009 -11.951 1.00 0.00 H new ATOM 0 HD2 PRO A 560 8.294 9.969 -9.527 1.00 0.00 H new ATOM 0 HD3 PRO A 560 8.568 11.687 -9.742 1.00 0.00 H new ATOM 1361 N LEU A 561 5.074 9.030 -10.789 1.00 0.00 N ATOM 1362 CA LEU A 561 4.237 7.856 -11.012 1.00 0.00 C ATOM 1363 C LEU A 561 2.979 7.913 -10.152 1.00 0.00 C ATOM 1364 O LEU A 561 1.875 8.110 -10.661 1.00 0.00 O ATOM 1365 CB LEU A 561 5.023 6.580 -10.703 1.00 0.00 C ATOM 1366 CG LEU A 561 6.182 6.261 -11.647 1.00 0.00 C ATOM 1367 CD1 LEU A 561 6.936 5.029 -11.170 1.00 0.00 C ATOM 1368 CD2 LEU A 561 5.674 6.060 -13.067 1.00 0.00 C ATOM 0 H LEU A 561 5.847 8.880 -10.141 1.00 0.00 H new ATOM 0 HA LEU A 561 3.938 7.847 -12.060 1.00 0.00 H new ATOM 0 HB2 LEU A 561 5.417 6.656 -9.689 1.00 0.00 H new ATOM 0 HB3 LEU A 561 4.330 5.739 -10.713 1.00 0.00 H new ATOM 0 HG LEU A 561 6.870 7.107 -11.645 1.00 0.00 H new ATOM 0 HD11 LEU A 561 7.757 4.817 -11.855 1.00 0.00 H new ATOM 0 HD12 LEU A 561 7.333 5.210 -10.171 1.00 0.00 H new ATOM 0 HD13 LEU A 561 6.258 4.176 -11.142 1.00 0.00 H new ATOM 0 HD21 LEU A 561 6.513 5.834 -13.725 1.00 0.00 H new ATOM 0 HD22 LEU A 561 4.965 5.233 -13.086 1.00 0.00 H new ATOM 0 HD23 LEU A 561 5.180 6.969 -13.409 1.00 0.00 H new ATOM 1380 N VAL A 562 3.152 7.741 -8.846 1.00 0.00 N ATOM 1381 CA VAL A 562 2.031 7.776 -7.914 1.00 0.00 C ATOM 1382 C VAL A 562 1.010 8.831 -8.323 1.00 0.00 C ATOM 1383 O VAL A 562 -0.195 8.580 -8.313 1.00 0.00 O ATOM 1384 CB VAL A 562 2.504 8.064 -6.477 1.00 0.00 C ATOM 1385 CG1 VAL A 562 1.315 8.179 -5.536 1.00 0.00 C ATOM 1386 CG2 VAL A 562 3.465 6.983 -6.006 1.00 0.00 C ATOM 0 H VAL A 562 4.059 7.576 -8.409 1.00 0.00 H new ATOM 0 HA VAL A 562 1.564 6.792 -7.943 1.00 0.00 H new ATOM 0 HB VAL A 562 3.034 9.017 -6.472 1.00 0.00 H new ATOM 0 HG11 VAL A 562 1.669 8.383 -4.525 1.00 0.00 H new ATOM 0 HG12 VAL A 562 0.668 8.993 -5.865 1.00 0.00 H new ATOM 0 HG13 VAL A 562 0.754 7.244 -5.542 1.00 0.00 H new ATOM 0 HG21 VAL A 562 3.789 7.202 -4.989 1.00 0.00 H new ATOM 0 HG22 VAL A 562 2.963 6.016 -6.026 1.00 0.00 H new ATOM 0 HG23 VAL A 562 4.333 6.955 -6.665 1.00 0.00 H new ATOM 1396 N ARG A 563 1.500 10.013 -8.683 1.00 0.00 N ATOM 1397 CA ARG A 563 0.630 11.108 -9.094 1.00 0.00 C ATOM 1398 C ARG A 563 -0.022 10.807 -10.441 1.00 0.00 C ATOM 1399 O ARG A 563 -1.216 11.038 -10.628 1.00 0.00 O ATOM 1400 CB ARG A 563 1.423 12.413 -9.180 1.00 0.00 C ATOM 1401 CG ARG A 563 0.547 13.654 -9.254 1.00 0.00 C ATOM 1402 CD ARG A 563 0.235 14.199 -7.870 1.00 0.00 C ATOM 1403 NE ARG A 563 -0.847 15.180 -7.899 1.00 0.00 N ATOM 1404 CZ ARG A 563 -1.028 16.102 -6.960 1.00 0.00 C ATOM 1405 NH1 ARG A 563 -0.204 16.168 -5.923 1.00 0.00 N ATOM 1406 NH2 ARG A 563 -2.036 16.959 -7.057 1.00 0.00 N ATOM 0 H ARG A 563 2.495 10.237 -8.698 1.00 0.00 H new ATOM 0 HA ARG A 563 -0.155 11.216 -8.345 1.00 0.00 H new ATOM 0 HB2 ARG A 563 2.075 12.490 -8.310 1.00 0.00 H new ATOM 0 HB3 ARG A 563 2.067 12.380 -10.059 1.00 0.00 H new ATOM 0 HG2 ARG A 563 1.050 14.421 -9.843 1.00 0.00 H new ATOM 0 HG3 ARG A 563 -0.383 13.414 -9.770 1.00 0.00 H new ATOM 0 HD2 ARG A 563 -0.039 13.376 -7.210 1.00 0.00 H new ATOM 0 HD3 ARG A 563 1.130 14.659 -7.451 1.00 0.00 H new ATOM 0 HE ARG A 563 -1.499 15.156 -8.683 1.00 0.00 H new ATOM 0 HH11 ARG A 563 0.571 15.510 -5.845 1.00 0.00 H new ATOM 0 HH12 ARG A 563 -0.345 16.877 -5.204 1.00 0.00 H new ATOM 0 HH21 ARG A 563 -2.672 16.910 -7.853 1.00 0.00 H new ATOM 0 HH22 ARG A 563 -2.175 17.667 -6.336 1.00 0.00 H new ATOM 1420 N GLN A 564 0.771 10.291 -11.374 1.00 0.00 N ATOM 1421 CA GLN A 564 0.271 9.960 -12.703 1.00 0.00 C ATOM 1422 C GLN A 564 -0.805 8.881 -12.627 1.00 0.00 C ATOM 1423 O GLN A 564 -1.922 9.072 -13.106 1.00 0.00 O ATOM 1424 CB GLN A 564 1.417 9.492 -13.601 1.00 0.00 C ATOM 1425 CG GLN A 564 2.103 10.622 -14.352 1.00 0.00 C ATOM 1426 CD GLN A 564 3.404 10.188 -14.997 1.00 0.00 C ATOM 1427 OE1 GLN A 564 4.485 10.614 -14.588 1.00 0.00 O ATOM 1428 NE2 GLN A 564 3.308 9.337 -16.011 1.00 0.00 N ATOM 0 H GLN A 564 1.762 10.093 -11.234 1.00 0.00 H new ATOM 0 HA GLN A 564 -0.172 10.859 -13.131 1.00 0.00 H new ATOM 0 HB2 GLN A 564 2.156 8.971 -12.991 1.00 0.00 H new ATOM 0 HB3 GLN A 564 1.032 8.770 -14.321 1.00 0.00 H new ATOM 0 HG2 GLN A 564 1.430 11.003 -15.120 1.00 0.00 H new ATOM 0 HG3 GLN A 564 2.300 11.444 -13.664 1.00 0.00 H new ATOM 0 HE21 GLN A 564 2.392 9.010 -16.317 1.00 0.00 H new ATOM 0 HE22 GLN A 564 4.151 9.010 -16.484 1.00 0.00 H new ATOM 1437 N GLN A 565 -0.458 7.749 -12.023 1.00 0.00 N ATOM 1438 CA GLN A 565 -1.395 6.640 -11.886 1.00 0.00 C ATOM 1439 C GLN A 565 -2.171 6.741 -10.577 1.00 0.00 C ATOM 1440 O GLN A 565 -2.692 5.745 -10.075 1.00 0.00 O ATOM 1441 CB GLN A 565 -0.649 5.305 -11.949 1.00 0.00 C ATOM 1442 CG GLN A 565 0.056 5.064 -13.274 1.00 0.00 C ATOM 1443 CD GLN A 565 -0.894 4.617 -14.367 1.00 0.00 C ATOM 1444 OE1 GLN A 565 -1.778 5.367 -14.782 1.00 0.00 O ATOM 1445 NE2 GLN A 565 -0.716 3.389 -14.841 1.00 0.00 N ATOM 0 H GLN A 565 0.463 7.576 -11.621 1.00 0.00 H new ATOM 0 HA GLN A 565 -2.104 6.692 -12.712 1.00 0.00 H new ATOM 0 HB2 GLN A 565 0.086 5.271 -11.145 1.00 0.00 H new ATOM 0 HB3 GLN A 565 -1.356 4.495 -11.770 1.00 0.00 H new ATOM 0 HG2 GLN A 565 0.558 5.980 -13.586 1.00 0.00 H new ATOM 0 HG3 GLN A 565 0.829 4.308 -13.138 1.00 0.00 H new ATOM 0 HE21 GLN A 565 0.030 2.801 -14.468 1.00 0.00 H new ATOM 0 HE22 GLN A 565 -1.325 3.034 -15.578 1.00 0.00 H new ATOM 1454 N ILE A 566 -2.243 7.950 -10.030 1.00 0.00 N ATOM 1455 CA ILE A 566 -2.956 8.180 -8.780 1.00 0.00 C ATOM 1456 C ILE A 566 -4.379 7.636 -8.850 1.00 0.00 C ATOM 1457 O ILE A 566 -4.916 7.147 -7.858 1.00 0.00 O ATOM 1458 CB ILE A 566 -3.008 9.679 -8.430 1.00 0.00 C ATOM 1459 CG1 ILE A 566 -3.696 9.886 -7.079 1.00 0.00 C ATOM 1460 CG2 ILE A 566 -3.731 10.453 -9.522 1.00 0.00 C ATOM 1461 CD1 ILE A 566 -3.064 9.099 -5.952 1.00 0.00 C ATOM 0 H ILE A 566 -1.817 8.785 -10.433 1.00 0.00 H new ATOM 0 HA ILE A 566 -2.406 7.652 -8.001 1.00 0.00 H new ATOM 0 HB ILE A 566 -1.988 10.056 -8.359 1.00 0.00 H new ATOM 0 HG12 ILE A 566 -3.674 10.946 -6.828 1.00 0.00 H new ATOM 0 HG13 ILE A 566 -4.744 9.601 -7.167 1.00 0.00 H new ATOM 0 HG21 ILE A 566 -3.760 11.511 -9.260 1.00 0.00 H new ATOM 0 HG22 ILE A 566 -3.203 10.327 -10.467 1.00 0.00 H new ATOM 0 HG23 ILE A 566 -4.749 10.076 -9.622 1.00 0.00 H new ATOM 0 HD11 ILE A 566 -3.603 9.294 -5.025 1.00 0.00 H new ATOM 0 HD12 ILE A 566 -3.110 8.034 -6.181 1.00 0.00 H new ATOM 0 HD13 ILE A 566 -2.023 9.401 -5.837 1.00 0.00 H new ATOM 1473 N ASN A 567 -4.982 7.725 -10.031 1.00 0.00 N ATOM 1474 CA ASN A 567 -6.343 7.240 -10.232 1.00 0.00 C ATOM 1475 C ASN A 567 -6.439 5.747 -9.932 1.00 0.00 C ATOM 1476 O ASN A 567 -7.310 5.309 -9.181 1.00 0.00 O ATOM 1477 CB ASN A 567 -6.798 7.514 -11.667 1.00 0.00 C ATOM 1478 CG ASN A 567 -5.831 6.959 -12.695 1.00 0.00 C ATOM 1479 OD1 ASN A 567 -5.942 5.804 -13.108 1.00 0.00 O ATOM 1480 ND2 ASN A 567 -4.877 7.781 -13.114 1.00 0.00 N ATOM 0 H ASN A 567 -4.550 8.128 -10.863 1.00 0.00 H new ATOM 0 HA ASN A 567 -6.997 7.773 -9.543 1.00 0.00 H new ATOM 0 HB2 ASN A 567 -7.783 7.074 -11.823 1.00 0.00 H new ATOM 0 HB3 ASN A 567 -6.902 8.589 -11.813 1.00 0.00 H new ATOM 0 HD21 ASN A 567 -4.198 7.464 -13.806 1.00 0.00 H new ATOM 0 HD22 ASN A 567 -4.823 8.730 -12.744 1.00 0.00 H new ATOM 1487 N GLU A 568 -5.536 4.971 -10.524 1.00 0.00 N ATOM 1488 CA GLU A 568 -5.519 3.527 -10.321 1.00 0.00 C ATOM 1489 C GLU A 568 -5.354 3.188 -8.842 1.00 0.00 C ATOM 1490 O GLU A 568 -6.127 2.410 -8.283 1.00 0.00 O ATOM 1491 CB GLU A 568 -4.389 2.889 -11.131 1.00 0.00 C ATOM 1492 CG GLU A 568 -4.679 1.461 -11.560 1.00 0.00 C ATOM 1493 CD GLU A 568 -6.096 1.281 -12.071 1.00 0.00 C ATOM 1494 OE1 GLU A 568 -6.532 2.100 -12.907 1.00 0.00 O ATOM 1495 OE2 GLU A 568 -6.768 0.324 -11.635 1.00 0.00 O ATOM 0 H GLU A 568 -4.807 5.318 -11.148 1.00 0.00 H new ATOM 0 HA GLU A 568 -6.473 3.126 -10.664 1.00 0.00 H new ATOM 0 HB2 GLU A 568 -4.202 3.495 -12.018 1.00 0.00 H new ATOM 0 HB3 GLU A 568 -3.475 2.903 -10.537 1.00 0.00 H new ATOM 0 HG2 GLU A 568 -3.976 1.170 -12.340 1.00 0.00 H new ATOM 0 HG3 GLU A 568 -4.513 0.791 -10.716 1.00 0.00 H new ATOM 1502 N MET A 569 -4.342 3.778 -8.215 1.00 0.00 N ATOM 1503 CA MET A 569 -4.076 3.539 -6.801 1.00 0.00 C ATOM 1504 C MET A 569 -5.337 3.745 -5.968 1.00 0.00 C ATOM 1505 O MET A 569 -5.722 2.878 -5.183 1.00 0.00 O ATOM 1506 CB MET A 569 -2.966 4.468 -6.305 1.00 0.00 C ATOM 1507 CG MET A 569 -1.677 4.355 -7.103 1.00 0.00 C ATOM 1508 SD MET A 569 -0.308 5.249 -6.342 1.00 0.00 S ATOM 1509 CE MET A 569 0.426 3.956 -5.343 1.00 0.00 C ATOM 0 H MET A 569 -3.693 4.425 -8.663 1.00 0.00 H new ATOM 0 HA MET A 569 -3.752 2.504 -6.688 1.00 0.00 H new ATOM 0 HB2 MET A 569 -3.320 5.498 -6.346 1.00 0.00 H new ATOM 0 HB3 MET A 569 -2.757 4.245 -5.259 1.00 0.00 H new ATOM 0 HG2 MET A 569 -1.408 3.304 -7.204 1.00 0.00 H new ATOM 0 HG3 MET A 569 -1.842 4.740 -8.109 1.00 0.00 H new ATOM 0 HE1 MET A 569 0.535 4.307 -4.317 1.00 0.00 H new ATOM 0 HE2 MET A 569 -0.216 3.075 -5.359 1.00 0.00 H new ATOM 0 HE3 MET A 569 1.406 3.698 -5.744 1.00 0.00 H new ATOM 1519 N HIS A 570 -5.976 4.897 -6.145 1.00 0.00 N ATOM 1520 CA HIS A 570 -7.195 5.216 -5.409 1.00 0.00 C ATOM 1521 C HIS A 570 -8.219 4.093 -5.543 1.00 0.00 C ATOM 1522 O HIS A 570 -8.758 3.609 -4.547 1.00 0.00 O ATOM 1523 CB HIS A 570 -7.792 6.530 -5.914 1.00 0.00 C ATOM 1524 CG HIS A 570 -9.171 6.799 -5.397 1.00 0.00 C ATOM 1525 ND1 HIS A 570 -10.082 7.593 -6.061 1.00 0.00 N ATOM 1526 CD2 HIS A 570 -9.794 6.372 -4.274 1.00 0.00 C ATOM 1527 CE1 HIS A 570 -11.205 7.645 -5.367 1.00 0.00 C ATOM 1528 NE2 HIS A 570 -11.057 6.912 -4.279 1.00 0.00 N ATOM 0 H HIS A 570 -5.671 5.625 -6.791 1.00 0.00 H new ATOM 0 HA HIS A 570 -6.937 5.325 -4.356 1.00 0.00 H new ATOM 0 HB2 HIS A 570 -7.137 7.352 -5.624 1.00 0.00 H new ATOM 0 HB3 HIS A 570 -7.818 6.513 -7.004 1.00 0.00 H new ATOM 0 HD1 HIS A 570 -9.915 8.066 -6.949 1.00 0.00 H new ATOM 0 HD2 HIS A 570 -9.376 5.727 -3.515 1.00 0.00 H new ATOM 0 HE1 HIS A 570 -12.093 8.194 -5.643 1.00 0.00 H new ATOM 1536 N LEU A 571 -8.484 3.685 -6.779 1.00 0.00 N ATOM 1537 CA LEU A 571 -9.445 2.620 -7.043 1.00 0.00 C ATOM 1538 C LEU A 571 -9.159 1.400 -6.173 1.00 0.00 C ATOM 1539 O LEU A 571 -10.065 0.837 -5.557 1.00 0.00 O ATOM 1540 CB LEU A 571 -9.407 2.226 -8.521 1.00 0.00 C ATOM 1541 CG LEU A 571 -9.992 3.243 -9.501 1.00 0.00 C ATOM 1542 CD1 LEU A 571 -9.625 2.878 -10.931 1.00 0.00 C ATOM 1543 CD2 LEU A 571 -11.503 3.329 -9.342 1.00 0.00 C ATOM 0 H LEU A 571 -8.047 4.075 -7.614 1.00 0.00 H new ATOM 0 HA LEU A 571 -10.439 2.993 -6.798 1.00 0.00 H new ATOM 0 HB2 LEU A 571 -8.370 2.037 -8.800 1.00 0.00 H new ATOM 0 HB3 LEU A 571 -9.945 1.286 -8.640 1.00 0.00 H new ATOM 0 HG LEU A 571 -9.567 4.221 -9.277 1.00 0.00 H new ATOM 0 HD11 LEU A 571 -10.050 3.613 -11.615 1.00 0.00 H new ATOM 0 HD12 LEU A 571 -8.540 2.868 -11.037 1.00 0.00 H new ATOM 0 HD13 LEU A 571 -10.021 1.891 -11.168 1.00 0.00 H new ATOM 0 HD21 LEU A 571 -11.902 4.058 -10.047 1.00 0.00 H new ATOM 0 HD22 LEU A 571 -11.946 2.353 -9.539 1.00 0.00 H new ATOM 0 HD23 LEU A 571 -11.745 3.638 -8.325 1.00 0.00 H new ATOM 1555 N LEU A 572 -7.894 0.997 -6.125 1.00 0.00 N ATOM 1556 CA LEU A 572 -7.487 -0.155 -5.328 1.00 0.00 C ATOM 1557 C LEU A 572 -7.918 0.009 -3.874 1.00 0.00 C ATOM 1558 O LEU A 572 -8.570 -0.868 -3.307 1.00 0.00 O ATOM 1559 CB LEU A 572 -5.971 -0.342 -5.404 1.00 0.00 C ATOM 1560 CG LEU A 572 -5.373 -0.418 -6.810 1.00 0.00 C ATOM 1561 CD1 LEU A 572 -3.867 -0.618 -6.739 1.00 0.00 C ATOM 1562 CD2 LEU A 572 -6.025 -1.540 -7.606 1.00 0.00 C ATOM 0 H LEU A 572 -7.132 1.451 -6.629 1.00 0.00 H new ATOM 0 HA LEU A 572 -7.977 -1.039 -5.735 1.00 0.00 H new ATOM 0 HB2 LEU A 572 -5.496 0.483 -4.873 1.00 0.00 H new ATOM 0 HB3 LEU A 572 -5.711 -1.256 -4.870 1.00 0.00 H new ATOM 0 HG LEU A 572 -5.570 0.525 -7.320 1.00 0.00 H new ATOM 0 HD11 LEU A 572 -3.459 -0.670 -7.748 1.00 0.00 H new ATOM 0 HD12 LEU A 572 -3.414 0.218 -6.207 1.00 0.00 H new ATOM 0 HD13 LEU A 572 -3.648 -1.546 -6.211 1.00 0.00 H new ATOM 0 HD21 LEU A 572 -5.588 -1.580 -8.604 1.00 0.00 H new ATOM 0 HD22 LEU A 572 -5.859 -2.490 -7.099 1.00 0.00 H new ATOM 0 HD23 LEU A 572 -7.096 -1.354 -7.686 1.00 0.00 H new ATOM 1574 N ILE A 573 -7.553 1.139 -3.278 1.00 0.00 N ATOM 1575 CA ILE A 573 -7.905 1.419 -1.892 1.00 0.00 C ATOM 1576 C ILE A 573 -9.406 1.273 -1.665 1.00 0.00 C ATOM 1577 O ILE A 573 -9.842 0.791 -0.620 1.00 0.00 O ATOM 1578 CB ILE A 573 -7.470 2.836 -1.475 1.00 0.00 C ATOM 1579 CG1 ILE A 573 -5.967 3.019 -1.699 1.00 0.00 C ATOM 1580 CG2 ILE A 573 -7.830 3.095 -0.020 1.00 0.00 C ATOM 1581 CD1 ILE A 573 -5.121 1.984 -0.991 1.00 0.00 C ATOM 0 H ILE A 573 -7.014 1.875 -3.733 1.00 0.00 H new ATOM 0 HA ILE A 573 -7.375 0.690 -1.279 1.00 0.00 H new ATOM 0 HB ILE A 573 -8.001 3.559 -2.094 1.00 0.00 H new ATOM 0 HG12 ILE A 573 -5.759 2.977 -2.768 1.00 0.00 H new ATOM 0 HG13 ILE A 573 -5.675 4.012 -1.356 1.00 0.00 H new ATOM 0 HG21 ILE A 573 -7.516 4.101 0.259 1.00 0.00 H new ATOM 0 HG22 ILE A 573 -8.908 3.002 0.110 1.00 0.00 H new ATOM 0 HG23 ILE A 573 -7.324 2.368 0.615 1.00 0.00 H new ATOM 0 HD11 ILE A 573 -4.067 2.175 -1.194 1.00 0.00 H new ATOM 0 HD12 ILE A 573 -5.300 2.041 0.083 1.00 0.00 H new ATOM 0 HD13 ILE A 573 -5.386 0.990 -1.351 1.00 0.00 H new ATOM 1593 N GLN A 574 -10.191 1.692 -2.653 1.00 0.00 N ATOM 1594 CA GLN A 574 -11.644 1.606 -2.562 1.00 0.00 C ATOM 1595 C GLN A 574 -12.114 0.162 -2.697 1.00 0.00 C ATOM 1596 O GLN A 574 -13.089 -0.245 -2.066 1.00 0.00 O ATOM 1597 CB GLN A 574 -12.295 2.471 -3.643 1.00 0.00 C ATOM 1598 CG GLN A 574 -11.821 3.915 -3.635 1.00 0.00 C ATOM 1599 CD GLN A 574 -12.667 4.802 -2.744 1.00 0.00 C ATOM 1600 OE1 GLN A 574 -12.237 4.974 -1.499 1.00 0.00 O flip ATOM 1601 NE2 GLN A 574 -13.696 5.328 -3.169 1.00 0.00 N flip ATOM 0 H GLN A 574 -9.846 2.094 -3.525 1.00 0.00 H new ATOM 0 HA GLN A 574 -11.944 1.975 -1.581 1.00 0.00 H new ATOM 0 HB2 GLN A 574 -12.087 2.035 -4.620 1.00 0.00 H new ATOM 0 HB3 GLN A 574 -13.377 2.452 -3.509 1.00 0.00 H new ATOM 0 HG2 GLN A 574 -10.785 3.951 -3.299 1.00 0.00 H new ATOM 0 HG3 GLN A 574 -11.840 4.305 -4.653 1.00 0.00 H new ATOM 0 HE21 GLN A 574 -13.990 5.169 -4.133 1.00 0.00 H new ATOM 0 HE22 GLN A 574 -14.255 5.923 -2.557 1.00 0.00 H new ATOM 1610 N GLN A 575 -11.415 -0.608 -3.525 1.00 0.00 N ATOM 1611 CA GLN A 575 -11.762 -2.007 -3.744 1.00 0.00 C ATOM 1612 C GLN A 575 -11.534 -2.828 -2.479 1.00 0.00 C ATOM 1613 O GLN A 575 -12.204 -3.835 -2.252 1.00 0.00 O ATOM 1614 CB GLN A 575 -10.939 -2.584 -4.897 1.00 0.00 C ATOM 1615 CG GLN A 575 -11.321 -2.023 -6.257 1.00 0.00 C ATOM 1616 CD GLN A 575 -10.824 -2.882 -7.403 1.00 0.00 C ATOM 1617 OE1 GLN A 575 -11.356 -3.962 -7.662 1.00 0.00 O ATOM 1618 NE2 GLN A 575 -9.798 -2.405 -8.098 1.00 0.00 N ATOM 0 H GLN A 575 -10.605 -0.286 -4.055 1.00 0.00 H new ATOM 0 HA GLN A 575 -12.820 -2.057 -4.002 1.00 0.00 H new ATOM 0 HB2 GLN A 575 -9.883 -2.384 -4.714 1.00 0.00 H new ATOM 0 HB3 GLN A 575 -11.060 -3.667 -4.913 1.00 0.00 H new ATOM 0 HG2 GLN A 575 -12.406 -1.935 -6.318 1.00 0.00 H new ATOM 0 HG3 GLN A 575 -10.913 -1.017 -6.358 1.00 0.00 H new ATOM 0 HE21 GLN A 575 -9.387 -1.505 -7.849 1.00 0.00 H new ATOM 0 HE22 GLN A 575 -9.420 -2.938 -8.881 1.00 0.00 H new ATOM 1627 N ALA A 576 -10.582 -2.393 -1.660 1.00 0.00 N ATOM 1628 CA ALA A 576 -10.266 -3.087 -0.418 1.00 0.00 C ATOM 1629 C ALA A 576 -11.108 -2.555 0.737 1.00 0.00 C ATOM 1630 O ALA A 576 -11.521 -3.312 1.616 1.00 0.00 O ATOM 1631 CB ALA A 576 -8.784 -2.952 -0.100 1.00 0.00 C ATOM 0 H ALA A 576 -10.016 -1.563 -1.835 1.00 0.00 H new ATOM 0 HA ALA A 576 -10.503 -4.143 -0.550 1.00 0.00 H new ATOM 0 HB1 ALA A 576 -8.562 -3.475 0.830 1.00 0.00 H new ATOM 0 HB2 ALA A 576 -8.197 -3.386 -0.909 1.00 0.00 H new ATOM 0 HB3 ALA A 576 -8.529 -1.898 0.007 1.00 0.00 H new ATOM 1637 N ARG A 577 -11.358 -1.250 0.729 1.00 0.00 N ATOM 1638 CA ARG A 577 -12.149 -0.617 1.777 1.00 0.00 C ATOM 1639 C ARG A 577 -13.633 -0.928 1.602 1.00 0.00 C ATOM 1640 O ARG A 577 -14.367 -1.064 2.580 1.00 0.00 O ATOM 1641 CB ARG A 577 -11.930 0.897 1.768 1.00 0.00 C ATOM 1642 CG ARG A 577 -12.180 1.557 3.114 1.00 0.00 C ATOM 1643 CD ARG A 577 -11.705 3.001 3.123 1.00 0.00 C ATOM 1644 NE ARG A 577 -12.492 3.830 4.033 1.00 0.00 N ATOM 1645 CZ ARG A 577 -13.707 4.284 3.749 1.00 0.00 C ATOM 1646 NH1 ARG A 577 -14.273 3.991 2.586 1.00 0.00 N ATOM 1647 NH2 ARG A 577 -14.359 5.033 4.629 1.00 0.00 N ATOM 0 H ARG A 577 -11.024 -0.610 0.008 1.00 0.00 H new ATOM 0 HA ARG A 577 -11.822 -1.019 2.736 1.00 0.00 H new ATOM 0 HB2 ARG A 577 -10.907 1.106 1.455 1.00 0.00 H new ATOM 0 HB3 ARG A 577 -12.589 1.346 1.025 1.00 0.00 H new ATOM 0 HG2 ARG A 577 -13.245 1.522 3.346 1.00 0.00 H new ATOM 0 HG3 ARG A 577 -11.665 0.999 3.896 1.00 0.00 H new ATOM 0 HD2 ARG A 577 -10.656 3.036 3.417 1.00 0.00 H new ATOM 0 HD3 ARG A 577 -11.768 3.410 2.114 1.00 0.00 H new ATOM 0 HE ARG A 577 -12.086 4.073 4.936 1.00 0.00 H new ATOM 0 HH11 ARG A 577 -13.775 3.415 1.907 1.00 0.00 H new ATOM 0 HH12 ARG A 577 -15.206 4.341 2.371 1.00 0.00 H new ATOM 0 HH21 ARG A 577 -13.927 5.260 5.525 1.00 0.00 H new ATOM 0 HH22 ARG A 577 -15.292 5.381 4.410 1.00 0.00 H new ATOM 1661 N GLU A 578 -14.065 -1.038 0.350 1.00 0.00 N ATOM 1662 CA GLU A 578 -15.461 -1.331 0.047 1.00 0.00 C ATOM 1663 C GLU A 578 -15.865 -2.691 0.609 1.00 0.00 C ATOM 1664 O GLU A 578 -16.981 -2.865 1.098 1.00 0.00 O ATOM 1665 CB GLU A 578 -15.695 -1.302 -1.465 1.00 0.00 C ATOM 1666 CG GLU A 578 -15.072 -2.477 -2.200 1.00 0.00 C ATOM 1667 CD GLU A 578 -15.350 -2.446 -3.690 1.00 0.00 C ATOM 1668 OE1 GLU A 578 -15.237 -1.357 -4.292 1.00 0.00 O ATOM 1669 OE2 GLU A 578 -15.681 -3.509 -4.255 1.00 0.00 O ATOM 0 H GLU A 578 -13.469 -0.929 -0.470 1.00 0.00 H new ATOM 0 HA GLU A 578 -16.077 -0.565 0.517 1.00 0.00 H new ATOM 0 HB2 GLU A 578 -16.768 -1.291 -1.658 1.00 0.00 H new ATOM 0 HB3 GLU A 578 -15.289 -0.375 -1.869 1.00 0.00 H new ATOM 0 HG2 GLU A 578 -13.995 -2.474 -2.035 1.00 0.00 H new ATOM 0 HG3 GLU A 578 -15.456 -3.407 -1.782 1.00 0.00 H new ATOM 1676 N MET A 579 -14.950 -3.652 0.535 1.00 0.00 N ATOM 1677 CA MET A 579 -15.210 -4.996 1.037 1.00 0.00 C ATOM 1678 C MET A 579 -15.077 -5.045 2.555 1.00 0.00 C ATOM 1679 O MET A 579 -14.237 -4.369 3.151 1.00 0.00 O ATOM 1680 CB MET A 579 -14.248 -5.998 0.396 1.00 0.00 C ATOM 1681 CG MET A 579 -12.787 -5.725 0.713 1.00 0.00 C ATOM 1682 SD MET A 579 -11.735 -7.162 0.431 1.00 0.00 S ATOM 1683 CE MET A 579 -12.213 -8.207 1.805 1.00 0.00 C ATOM 0 H MET A 579 -14.022 -3.525 0.132 1.00 0.00 H new ATOM 0 HA MET A 579 -16.233 -5.264 0.771 1.00 0.00 H new ATOM 0 HB2 MET A 579 -14.503 -7.002 0.735 1.00 0.00 H new ATOM 0 HB3 MET A 579 -14.386 -5.981 -0.685 1.00 0.00 H new ATOM 0 HG2 MET A 579 -12.435 -4.896 0.099 1.00 0.00 H new ATOM 0 HG3 MET A 579 -12.697 -5.412 1.753 1.00 0.00 H new ATOM 0 HE1 MET A 579 -11.435 -8.949 1.986 1.00 0.00 H new ATOM 0 HE2 MET A 579 -12.346 -7.596 2.698 1.00 0.00 H new ATOM 0 HE3 MET A 579 -13.149 -8.713 1.569 1.00 0.00 H new