USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=15 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 554 CYS SG : rot -63:sc= -3.48! USER MOD Set 1.2: A 555 CYS SG : rot 27:sc= -1.66 USER MOD Set 2.1: A 519 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 520 THR OG1 : rot 146:sc= 0.56 USER MOD Set 2.3: A 565 GLN : amide:sc= 0 K(o=0.56,f=-0.074) USER MOD Single : A 504 THR OG1 : rot 29:sc= 0.097 USER MOD Single : A 505 GLN : amide:sc= 0.317 K(o=0.32,f=-0.66) USER MOD Single : A 506 GLN :FLIP amide:sc= -0.246 F(o=-1.3,f=-0.25) USER MOD Single : A 508 THR OG1 : rot 72:sc= 0.234 USER MOD Single : A 511 GLN : amide:sc= -0.795 K(o=-0.8,f=-3.6!) 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 X(o=0,f=-0.056) USER MOD Single : A 535 HIS : no HD1:sc= -5.79! C(o=-5.8!,f=-6.8!) USER MOD Single : A 536 MET CE :methyl -161:sc= -0.427 (180deg=-0.79) USER MOD Single : A 537 MET CE :methyl 169:sc= -0.244 (180deg=-0.577) USER MOD Single : A 539 LYS NZ :NH3+ 156:sc= -0.85 (180deg=-1.94!) USER MOD Single : A 546 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 549 GLN : amide:sc= -0.183 K(o=-0.18,f=-2.1!) USER MOD Single : A 556 ASN : amide:sc= 0.754 K(o=0.75,f=0.00019) USER MOD Single : A 564 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 567 ASN : amide:sc= -0.0115 X(o=-0.011,f=0) USER MOD Single : A 569 MET CE :methyl -130:sc= -0.0111 (180deg=-0.416) USER MOD Single : A 570 HIS : no HD1:sc= -2.98 X(o=-3,f=-3.4!) USER MOD Single : A 574 GLN :FLIP amide:sc= -0.38 F(o=-1.5,f=-0.38) USER MOD Single : A 575 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 579 MET CE :methyl -127:sc= -0.858 (180deg=-3.07) USER MOD ----------------------------------------------------------------- ATOM 445 N THR A 504 -7.804 -7.783 7.737 1.00 0.00 N ATOM 446 CA THR A 504 -8.381 -8.189 6.462 1.00 0.00 C ATOM 447 C THR A 504 -8.221 -7.094 5.413 1.00 0.00 C ATOM 448 O THR A 504 -7.475 -7.252 4.447 1.00 0.00 O ATOM 449 CB THR A 504 -9.875 -8.533 6.605 1.00 0.00 C ATOM 450 OG1 THR A 504 -10.050 -9.558 7.590 1.00 0.00 O ATOM 451 CG2 THR A 504 -10.454 -8.995 5.276 1.00 0.00 C ATOM 0 HA THR A 504 -7.841 -9.079 6.140 1.00 0.00 H new ATOM 0 HB THR A 504 -10.404 -7.633 6.920 1.00 0.00 H new ATOM 0 HG1 THR A 504 -9.335 -9.496 8.257 1.00 0.00 H new ATOM 0 HG21 THR A 504 -11.510 -9.232 5.402 1.00 0.00 H new ATOM 0 HG22 THR A 504 -10.346 -8.201 4.537 1.00 0.00 H new ATOM 0 HG23 THR A 504 -9.921 -9.883 4.936 1.00 0.00 H new ATOM 459 N GLN A 505 -8.927 -5.985 5.610 1.00 0.00 N ATOM 460 CA GLN A 505 -8.862 -4.864 4.679 1.00 0.00 C ATOM 461 C GLN A 505 -7.415 -4.514 4.348 1.00 0.00 C ATOM 462 O GLN A 505 -6.993 -4.610 3.196 1.00 0.00 O ATOM 463 CB GLN A 505 -9.573 -3.644 5.268 1.00 0.00 C ATOM 464 CG GLN A 505 -11.087 -3.710 5.158 1.00 0.00 C ATOM 465 CD GLN A 505 -11.749 -2.367 5.399 1.00 0.00 C ATOM 466 OE1 GLN A 505 -11.138 -1.452 5.951 1.00 0.00 O ATOM 467 NE2 GLN A 505 -13.004 -2.243 4.986 1.00 0.00 N ATOM 0 H GLN A 505 -9.550 -5.839 6.405 1.00 0.00 H new ATOM 0 HA GLN A 505 -9.364 -5.159 3.758 1.00 0.00 H new ATOM 0 HB2 GLN A 505 -9.297 -3.545 6.318 1.00 0.00 H new ATOM 0 HB3 GLN A 505 -9.219 -2.747 4.760 1.00 0.00 H new ATOM 0 HG2 GLN A 505 -11.360 -4.073 4.167 1.00 0.00 H new ATOM 0 HG3 GLN A 505 -11.469 -4.433 5.879 1.00 0.00 H new ATOM 0 HE21 GLN A 505 -13.472 -3.028 4.533 1.00 0.00 H new ATOM 0 HE22 GLN A 505 -13.501 -1.363 5.122 1.00 0.00 H new ATOM 476 N GLN A 506 -6.662 -4.108 5.365 1.00 0.00 N ATOM 477 CA GLN A 506 -5.263 -3.743 5.180 1.00 0.00 C ATOM 478 C GLN A 506 -4.585 -4.673 4.178 1.00 0.00 C ATOM 479 O GLN A 506 -4.062 -4.226 3.156 1.00 0.00 O ATOM 480 CB GLN A 506 -4.521 -3.787 6.517 1.00 0.00 C ATOM 481 CG GLN A 506 -4.870 -2.635 7.444 1.00 0.00 C ATOM 482 CD GLN A 506 -4.114 -2.693 8.757 1.00 0.00 C ATOM 483 OE1 GLN A 506 -3.119 -1.826 8.907 1.00 0.00 O flip ATOM 484 NE2 GLN A 506 -4.421 -3.507 9.628 1.00 0.00 N flip ATOM 0 H GLN A 506 -6.997 -4.024 6.325 1.00 0.00 H new ATOM 0 HA GLN A 506 -5.228 -2.727 4.786 1.00 0.00 H new ATOM 0 HB2 GLN A 506 -4.748 -4.728 7.018 1.00 0.00 H new ATOM 0 HB3 GLN A 506 -3.448 -3.778 6.328 1.00 0.00 H new ATOM 0 HG2 GLN A 506 -4.650 -1.692 6.944 1.00 0.00 H new ATOM 0 HG3 GLN A 506 -5.941 -2.647 7.645 1.00 0.00 H new ATOM 0 HE21 GLN A 506 -5.193 -4.155 9.471 1.00 0.00 H new ATOM 0 HE22 GLN A 506 -3.904 -3.533 10.507 1.00 0.00 H new ATOM 493 N LEU A 507 -4.598 -5.967 4.478 1.00 0.00 N ATOM 494 CA LEU A 507 -3.984 -6.960 3.603 1.00 0.00 C ATOM 495 C LEU A 507 -4.480 -6.804 2.169 1.00 0.00 C ATOM 496 O LEU A 507 -3.686 -6.671 1.237 1.00 0.00 O ATOM 497 CB LEU A 507 -4.289 -8.372 4.109 1.00 0.00 C ATOM 498 CG LEU A 507 -3.444 -8.860 5.286 1.00 0.00 C ATOM 499 CD1 LEU A 507 -4.070 -10.092 5.919 1.00 0.00 C ATOM 500 CD2 LEU A 507 -2.020 -9.154 4.835 1.00 0.00 C ATOM 0 H LEU A 507 -5.026 -6.353 5.319 1.00 0.00 H new ATOM 0 HA LEU A 507 -2.906 -6.801 3.614 1.00 0.00 H new ATOM 0 HB2 LEU A 507 -5.339 -8.413 4.399 1.00 0.00 H new ATOM 0 HB3 LEU A 507 -4.160 -9.069 3.281 1.00 0.00 H new ATOM 0 HG LEU A 507 -3.410 -8.070 6.036 1.00 0.00 H new ATOM 0 HD11 LEU A 507 -3.454 -10.424 6.755 1.00 0.00 H new ATOM 0 HD12 LEU A 507 -5.069 -9.848 6.279 1.00 0.00 H new ATOM 0 HD13 LEU A 507 -4.136 -10.888 5.178 1.00 0.00 H new ATOM 0 HD21 LEU A 507 -1.433 -9.500 5.686 1.00 0.00 H new ATOM 0 HD22 LEU A 507 -2.034 -9.926 4.066 1.00 0.00 H new ATOM 0 HD23 LEU A 507 -1.572 -8.247 4.430 1.00 0.00 H new ATOM 512 N THR A 508 -5.798 -6.819 1.999 1.00 0.00 N ATOM 513 CA THR A 508 -6.400 -6.678 0.679 1.00 0.00 C ATOM 514 C THR A 508 -5.756 -5.537 -0.100 1.00 0.00 C ATOM 515 O THR A 508 -5.396 -5.694 -1.266 1.00 0.00 O ATOM 516 CB THR A 508 -7.917 -6.427 0.777 1.00 0.00 C ATOM 517 OG1 THR A 508 -8.521 -7.403 1.633 1.00 0.00 O ATOM 518 CG2 THR A 508 -8.564 -6.480 -0.598 1.00 0.00 C ATOM 0 H THR A 508 -6.469 -6.927 2.759 1.00 0.00 H new ATOM 0 HA THR A 508 -6.228 -7.616 0.151 1.00 0.00 H new ATOM 0 HB THR A 508 -8.072 -5.433 1.195 1.00 0.00 H new ATOM 0 HG1 THR A 508 -8.274 -7.219 2.564 1.00 0.00 H new ATOM 0 HG21 THR A 508 -9.635 -6.300 -0.503 1.00 0.00 H new ATOM 0 HG22 THR A 508 -8.123 -5.716 -1.238 1.00 0.00 H new ATOM 0 HG23 THR A 508 -8.399 -7.463 -1.040 1.00 0.00 H new ATOM 526 N ALA A 509 -5.615 -4.388 0.553 1.00 0.00 N ATOM 527 CA ALA A 509 -5.011 -3.220 -0.078 1.00 0.00 C ATOM 528 C ALA A 509 -3.544 -3.471 -0.408 1.00 0.00 C ATOM 529 O ALA A 509 -3.074 -3.132 -1.494 1.00 0.00 O ATOM 530 CB ALA A 509 -5.152 -2.002 0.822 1.00 0.00 C ATOM 0 H ALA A 509 -5.911 -4.241 1.518 1.00 0.00 H new ATOM 0 HA ALA A 509 -5.538 -3.029 -1.013 1.00 0.00 H new ATOM 0 HB1 ALA A 509 -4.697 -1.138 0.338 1.00 0.00 H new ATOM 0 HB2 ALA A 509 -6.208 -1.803 1.002 1.00 0.00 H new ATOM 0 HB3 ALA A 509 -4.652 -2.192 1.772 1.00 0.00 H new ATOM 536 N PHE A 510 -2.823 -4.066 0.537 1.00 0.00 N ATOM 537 CA PHE A 510 -1.408 -4.361 0.348 1.00 0.00 C ATOM 538 C PHE A 510 -1.192 -5.218 -0.896 1.00 0.00 C ATOM 539 O PHE A 510 -0.295 -4.953 -1.696 1.00 0.00 O ATOM 540 CB PHE A 510 -0.845 -5.077 1.578 1.00 0.00 C ATOM 541 CG PHE A 510 0.625 -5.369 1.480 1.00 0.00 C ATOM 542 CD1 PHE A 510 1.075 -6.535 0.882 1.00 0.00 C ATOM 543 CD2 PHE A 510 1.557 -4.478 1.987 1.00 0.00 C ATOM 544 CE1 PHE A 510 2.427 -6.808 0.791 1.00 0.00 C ATOM 545 CE2 PHE A 510 2.910 -4.745 1.899 1.00 0.00 C ATOM 546 CZ PHE A 510 3.346 -5.911 1.301 1.00 0.00 C ATOM 0 H PHE A 510 -3.196 -4.353 1.442 1.00 0.00 H new ATOM 0 HA PHE A 510 -0.881 -3.416 0.213 1.00 0.00 H new ATOM 0 HB2 PHE A 510 -1.028 -4.464 2.461 1.00 0.00 H new ATOM 0 HB3 PHE A 510 -1.385 -6.013 1.723 1.00 0.00 H new ATOM 0 HD1 PHE A 510 0.361 -7.239 0.482 1.00 0.00 H new ATOM 0 HD2 PHE A 510 1.222 -3.565 2.456 1.00 0.00 H new ATOM 0 HE1 PHE A 510 2.764 -7.721 0.322 1.00 0.00 H new ATOM 0 HE2 PHE A 510 3.626 -4.042 2.298 1.00 0.00 H new ATOM 0 HZ PHE A 510 4.403 -6.121 1.232 1.00 0.00 H new ATOM 556 N GLN A 511 -2.022 -6.245 -1.051 1.00 0.00 N ATOM 557 CA GLN A 511 -1.921 -7.141 -2.196 1.00 0.00 C ATOM 558 C GLN A 511 -2.164 -6.388 -3.500 1.00 0.00 C ATOM 559 O GLN A 511 -1.397 -6.516 -4.455 1.00 0.00 O ATOM 560 CB GLN A 511 -2.924 -8.289 -2.062 1.00 0.00 C ATOM 561 CG GLN A 511 -2.790 -9.343 -3.149 1.00 0.00 C ATOM 562 CD GLN A 511 -1.516 -10.155 -3.022 1.00 0.00 C ATOM 563 OE1 GLN A 511 -0.414 -9.606 -3.035 1.00 0.00 O ATOM 564 NE2 GLN A 511 -1.661 -11.469 -2.899 1.00 0.00 N ATOM 0 H GLN A 511 -2.771 -6.477 -0.398 1.00 0.00 H new ATOM 0 HA GLN A 511 -0.911 -7.550 -2.217 1.00 0.00 H new ATOM 0 HB2 GLN A 511 -2.793 -8.763 -1.089 1.00 0.00 H new ATOM 0 HB3 GLN A 511 -3.935 -7.882 -2.085 1.00 0.00 H new ATOM 0 HG2 GLN A 511 -3.649 -10.013 -3.108 1.00 0.00 H new ATOM 0 HG3 GLN A 511 -2.811 -8.858 -4.125 1.00 0.00 H new ATOM 0 HE21 GLN A 511 -2.594 -11.881 -2.893 1.00 0.00 H new ATOM 0 HE22 GLN A 511 -0.839 -12.067 -2.810 1.00 0.00 H new ATOM 573 N LEU A 512 -3.236 -5.604 -3.533 1.00 0.00 N ATOM 574 CA LEU A 512 -3.581 -4.829 -4.721 1.00 0.00 C ATOM 575 C LEU A 512 -2.413 -3.949 -5.155 1.00 0.00 C ATOM 576 O LEU A 512 -1.964 -4.014 -6.300 1.00 0.00 O ATOM 577 CB LEU A 512 -4.813 -3.964 -4.449 1.00 0.00 C ATOM 578 CG LEU A 512 -6.111 -4.718 -4.158 1.00 0.00 C ATOM 579 CD1 LEU A 512 -7.157 -3.777 -3.583 1.00 0.00 C ATOM 580 CD2 LEU A 512 -6.632 -5.390 -5.421 1.00 0.00 C ATOM 0 H LEU A 512 -3.881 -5.488 -2.752 1.00 0.00 H new ATOM 0 HA LEU A 512 -3.805 -5.527 -5.528 1.00 0.00 H new ATOM 0 HB2 LEU A 512 -4.596 -3.314 -3.601 1.00 0.00 H new ATOM 0 HB3 LEU A 512 -4.977 -3.319 -5.312 1.00 0.00 H new ATOM 0 HG LEU A 512 -5.902 -5.491 -3.419 1.00 0.00 H new ATOM 0 HD11 LEU A 512 -8.074 -4.331 -3.382 1.00 0.00 H new ATOM 0 HD12 LEU A 512 -6.785 -3.343 -2.655 1.00 0.00 H new ATOM 0 HD13 LEU A 512 -7.363 -2.981 -4.299 1.00 0.00 H new ATOM 0 HD21 LEU A 512 -7.556 -5.922 -5.195 1.00 0.00 H new ATOM 0 HD22 LEU A 512 -6.825 -4.634 -6.182 1.00 0.00 H new ATOM 0 HD23 LEU A 512 -5.888 -6.096 -5.791 1.00 0.00 H new ATOM 592 N LEU A 513 -1.924 -3.128 -4.233 1.00 0.00 N ATOM 593 CA LEU A 513 -0.806 -2.235 -4.519 1.00 0.00 C ATOM 594 C LEU A 513 0.361 -3.003 -5.133 1.00 0.00 C ATOM 595 O LEU A 513 0.906 -2.605 -6.163 1.00 0.00 O ATOM 596 CB LEU A 513 -0.350 -1.530 -3.240 1.00 0.00 C ATOM 597 CG LEU A 513 -1.268 -0.423 -2.721 1.00 0.00 C ATOM 598 CD1 LEU A 513 -0.816 0.044 -1.346 1.00 0.00 C ATOM 599 CD2 LEU A 513 -1.303 0.743 -3.698 1.00 0.00 C ATOM 0 H LEU A 513 -2.284 -3.062 -3.281 1.00 0.00 H new ATOM 0 HA LEU A 513 -1.144 -1.488 -5.237 1.00 0.00 H new ATOM 0 HB2 LEU A 513 -0.238 -2.279 -2.456 1.00 0.00 H new ATOM 0 HB3 LEU A 513 0.637 -1.103 -3.416 1.00 0.00 H new ATOM 0 HG LEU A 513 -2.277 -0.826 -2.632 1.00 0.00 H new ATOM 0 HD11 LEU A 513 -1.481 0.832 -0.993 1.00 0.00 H new ATOM 0 HD12 LEU A 513 -0.844 -0.794 -0.650 1.00 0.00 H new ATOM 0 HD13 LEU A 513 0.202 0.429 -1.409 1.00 0.00 H new ATOM 0 HD21 LEU A 513 -1.961 1.521 -3.312 1.00 0.00 H new ATOM 0 HD22 LEU A 513 -0.298 1.146 -3.820 1.00 0.00 H new ATOM 0 HD23 LEU A 513 -1.675 0.398 -4.663 1.00 0.00 H new ATOM 611 N PHE A 514 0.737 -4.106 -4.495 1.00 0.00 N ATOM 612 CA PHE A 514 1.838 -4.931 -4.979 1.00 0.00 C ATOM 613 C PHE A 514 1.656 -5.269 -6.456 1.00 0.00 C ATOM 614 O PHE A 514 2.500 -4.939 -7.288 1.00 0.00 O ATOM 615 CB PHE A 514 1.939 -6.218 -4.158 1.00 0.00 C ATOM 616 CG PHE A 514 3.250 -6.932 -4.320 1.00 0.00 C ATOM 617 CD1 PHE A 514 4.432 -6.341 -3.906 1.00 0.00 C ATOM 618 CD2 PHE A 514 3.300 -8.196 -4.887 1.00 0.00 C ATOM 619 CE1 PHE A 514 5.640 -6.996 -4.056 1.00 0.00 C ATOM 620 CE2 PHE A 514 4.505 -8.856 -5.039 1.00 0.00 C ATOM 621 CZ PHE A 514 5.676 -8.255 -4.622 1.00 0.00 C ATOM 0 H PHE A 514 0.296 -4.449 -3.642 1.00 0.00 H new ATOM 0 HA PHE A 514 2.761 -4.363 -4.865 1.00 0.00 H new ATOM 0 HB2 PHE A 514 1.792 -5.980 -3.105 1.00 0.00 H new ATOM 0 HB3 PHE A 514 1.131 -6.889 -4.449 1.00 0.00 H new ATOM 0 HD1 PHE A 514 4.410 -5.357 -3.461 1.00 0.00 H new ATOM 0 HD2 PHE A 514 2.387 -8.671 -5.214 1.00 0.00 H new ATOM 0 HE1 PHE A 514 6.555 -6.523 -3.731 1.00 0.00 H new ATOM 0 HE2 PHE A 514 4.530 -9.840 -5.483 1.00 0.00 H new ATOM 0 HZ PHE A 514 6.619 -8.769 -4.738 1.00 0.00 H new ATOM 631 N ALA A 515 0.547 -5.931 -6.772 1.00 0.00 N ATOM 632 CA ALA A 515 0.253 -6.313 -8.148 1.00 0.00 C ATOM 633 C ALA A 515 0.433 -5.133 -9.096 1.00 0.00 C ATOM 634 O ALA A 515 1.142 -5.233 -10.098 1.00 0.00 O ATOM 635 CB ALA A 515 -1.162 -6.864 -8.251 1.00 0.00 C ATOM 0 H ALA A 515 -0.161 -6.213 -6.095 1.00 0.00 H new ATOM 0 HA ALA A 515 0.957 -7.091 -8.441 1.00 0.00 H new ATOM 0 HB1 ALA A 515 -1.369 -7.145 -9.284 1.00 0.00 H new ATOM 0 HB2 ALA A 515 -1.259 -7.740 -7.610 1.00 0.00 H new ATOM 0 HB3 ALA A 515 -1.873 -6.102 -7.933 1.00 0.00 H new ATOM 641 N TRP A 516 -0.212 -4.018 -8.775 1.00 0.00 N ATOM 642 CA TRP A 516 -0.122 -2.818 -9.600 1.00 0.00 C ATOM 643 C TRP A 516 1.330 -2.391 -9.783 1.00 0.00 C ATOM 644 O TRP A 516 1.748 -2.038 -10.886 1.00 0.00 O ATOM 645 CB TRP A 516 -0.926 -1.680 -8.969 1.00 0.00 C ATOM 646 CG TRP A 516 -0.612 -0.336 -9.554 1.00 0.00 C ATOM 647 CD1 TRP A 516 -1.168 0.222 -10.670 1.00 0.00 C ATOM 648 CD2 TRP A 516 0.334 0.616 -9.055 1.00 0.00 C ATOM 649 NE1 TRP A 516 -0.625 1.465 -10.894 1.00 0.00 N ATOM 650 CE2 TRP A 516 0.298 1.730 -9.917 1.00 0.00 C ATOM 651 CE3 TRP A 516 1.206 0.637 -7.964 1.00 0.00 C ATOM 652 CZ2 TRP A 516 1.101 2.850 -9.720 1.00 0.00 C ATOM 653 CZ3 TRP A 516 2.003 1.749 -7.769 1.00 0.00 C ATOM 654 CH2 TRP A 516 1.945 2.843 -8.643 1.00 0.00 C ATOM 0 H TRP A 516 -0.803 -3.919 -7.950 1.00 0.00 H new ATOM 0 HA TRP A 516 -0.539 -3.048 -10.580 1.00 0.00 H new ATOM 0 HB2 TRP A 516 -1.990 -1.883 -9.094 1.00 0.00 H new ATOM 0 HB3 TRP A 516 -0.730 -1.657 -7.897 1.00 0.00 H new ATOM 0 HD1 TRP A 516 -1.923 -0.245 -11.286 1.00 0.00 H new ATOM 0 HE1 TRP A 516 -0.870 2.089 -11.663 1.00 0.00 H new ATOM 0 HE3 TRP A 516 1.256 -0.201 -7.285 1.00 0.00 H new ATOM 0 HZ2 TRP A 516 1.059 3.694 -10.393 1.00 0.00 H new ATOM 0 HZ3 TRP A 516 2.682 1.775 -6.929 1.00 0.00 H new ATOM 0 HH2 TRP A 516 2.580 3.698 -8.463 1.00 0.00 H new ATOM 665 N ARG A 517 2.095 -2.426 -8.697 1.00 0.00 N ATOM 666 CA ARG A 517 3.500 -2.041 -8.740 1.00 0.00 C ATOM 667 C ARG A 517 4.237 -2.796 -9.842 1.00 0.00 C ATOM 668 O ARG A 517 4.971 -2.201 -10.632 1.00 0.00 O ATOM 669 CB ARG A 517 4.166 -2.312 -7.389 1.00 0.00 C ATOM 670 CG ARG A 517 5.555 -1.709 -7.263 1.00 0.00 C ATOM 671 CD ARG A 517 5.936 -1.485 -5.808 1.00 0.00 C ATOM 672 NE ARG A 517 6.593 -2.654 -5.228 1.00 0.00 N ATOM 673 CZ ARG A 517 7.889 -2.910 -5.362 1.00 0.00 C ATOM 674 NH1 ARG A 517 8.664 -2.084 -6.051 1.00 0.00 N ATOM 675 NH2 ARG A 517 8.413 -3.994 -4.804 1.00 0.00 N ATOM 0 H ARG A 517 1.765 -2.717 -7.777 1.00 0.00 H new ATOM 0 HA ARG A 517 3.552 -0.974 -8.957 1.00 0.00 H new ATOM 0 HB2 ARG A 517 3.533 -1.915 -6.595 1.00 0.00 H new ATOM 0 HB3 ARG A 517 4.231 -3.389 -7.235 1.00 0.00 H new ATOM 0 HG2 ARG A 517 6.283 -2.370 -7.733 1.00 0.00 H new ATOM 0 HG3 ARG A 517 5.591 -0.761 -7.800 1.00 0.00 H new ATOM 0 HD2 ARG A 517 6.599 -0.623 -5.736 1.00 0.00 H new ATOM 0 HD3 ARG A 517 5.042 -1.248 -5.231 1.00 0.00 H new ATOM 0 HE ARG A 517 6.025 -3.309 -4.691 1.00 0.00 H new ATOM 0 HH11 ARG A 517 8.265 -1.249 -6.480 1.00 0.00 H new ATOM 0 HH12 ARG A 517 9.659 -2.283 -6.152 1.00 0.00 H new ATOM 0 HH21 ARG A 517 7.820 -4.631 -4.272 1.00 0.00 H new ATOM 0 HH22 ARG A 517 9.409 -4.190 -4.907 1.00 0.00 H new ATOM 689 N ASP A 518 4.037 -4.108 -9.890 1.00 0.00 N ATOM 690 CA ASP A 518 4.682 -4.944 -10.896 1.00 0.00 C ATOM 691 C ASP A 518 4.245 -4.539 -12.300 1.00 0.00 C ATOM 692 O ASP A 518 5.068 -4.426 -13.210 1.00 0.00 O ATOM 693 CB ASP A 518 4.354 -6.418 -10.652 1.00 0.00 C ATOM 694 CG ASP A 518 5.034 -7.335 -11.649 1.00 0.00 C ATOM 695 OD1 ASP A 518 4.882 -7.105 -12.867 1.00 0.00 O ATOM 696 OD2 ASP A 518 5.719 -8.283 -11.211 1.00 0.00 O ATOM 0 H ASP A 518 3.433 -4.616 -9.244 1.00 0.00 H new ATOM 0 HA ASP A 518 5.760 -4.801 -10.815 1.00 0.00 H new ATOM 0 HB2 ASP A 518 4.660 -6.693 -9.643 1.00 0.00 H new ATOM 0 HB3 ASP A 518 3.275 -6.561 -10.708 1.00 0.00 H new ATOM 701 N LYS A 519 2.946 -4.322 -12.471 1.00 0.00 N ATOM 702 CA LYS A 519 2.398 -3.929 -13.764 1.00 0.00 C ATOM 703 C LYS A 519 3.079 -2.667 -14.282 1.00 0.00 C ATOM 704 O LYS A 519 3.745 -2.688 -15.318 1.00 0.00 O ATOM 705 CB LYS A 519 0.889 -3.699 -13.653 1.00 0.00 C ATOM 706 CG LYS A 519 0.222 -3.388 -14.982 1.00 0.00 C ATOM 707 CD LYS A 519 0.203 -1.894 -15.260 1.00 0.00 C ATOM 708 CE LYS A 519 -0.483 -1.127 -14.141 1.00 0.00 C ATOM 709 NZ LYS A 519 -1.068 0.154 -14.624 1.00 0.00 N ATOM 0 H LYS A 519 2.252 -4.412 -11.729 1.00 0.00 H new ATOM 0 HA LYS A 519 2.585 -4.737 -14.471 1.00 0.00 H new ATOM 0 HB2 LYS A 519 0.425 -4.586 -13.222 1.00 0.00 H new ATOM 0 HB3 LYS A 519 0.705 -2.876 -12.962 1.00 0.00 H new ATOM 0 HG2 LYS A 519 0.751 -3.902 -15.785 1.00 0.00 H new ATOM 0 HG3 LYS A 519 -0.798 -3.771 -14.977 1.00 0.00 H new ATOM 0 HD2 LYS A 519 1.224 -1.532 -15.378 1.00 0.00 H new ATOM 0 HD3 LYS A 519 -0.313 -1.705 -16.201 1.00 0.00 H new ATOM 0 HE2 LYS A 519 -1.269 -1.744 -13.707 1.00 0.00 H new ATOM 0 HE3 LYS A 519 0.236 -0.922 -13.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 519 -1.526 0.647 -13.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 519 -0.314 0.754 -15.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 519 -1.773 -0.043 -15.363 1.00 0.00 H new ATOM 723 N THR A 520 2.910 -1.567 -13.554 1.00 0.00 N ATOM 724 CA THR A 520 3.508 -0.295 -13.940 1.00 0.00 C ATOM 725 C THR A 520 5.008 -0.441 -14.174 1.00 0.00 C ATOM 726 O THR A 520 5.578 0.221 -15.040 1.00 0.00 O ATOM 727 CB THR A 520 3.270 0.786 -12.869 1.00 0.00 C ATOM 728 OG1 THR A 520 1.865 1.009 -12.702 1.00 0.00 O ATOM 729 CG2 THR A 520 3.953 2.089 -13.255 1.00 0.00 C ATOM 0 H THR A 520 2.364 -1.532 -12.693 1.00 0.00 H new ATOM 0 HA THR A 520 3.026 0.012 -14.868 1.00 0.00 H new ATOM 0 HB THR A 520 3.696 0.435 -11.929 1.00 0.00 H new ATOM 0 HG1 THR A 520 1.677 1.220 -11.764 1.00 0.00 H new ATOM 0 HG21 THR A 520 3.771 2.838 -12.484 1.00 0.00 H new ATOM 0 HG22 THR A 520 5.026 1.922 -13.353 1.00 0.00 H new ATOM 0 HG23 THR A 520 3.552 2.442 -14.205 1.00 0.00 H new ATOM 737 N ALA A 521 5.640 -1.313 -13.396 1.00 0.00 N ATOM 738 CA ALA A 521 7.074 -1.548 -13.520 1.00 0.00 C ATOM 739 C ALA A 521 7.396 -2.312 -14.800 1.00 0.00 C ATOM 740 O ALA A 521 8.452 -2.118 -15.401 1.00 0.00 O ATOM 741 CB ALA A 521 7.592 -2.306 -12.307 1.00 0.00 C ATOM 0 H ALA A 521 5.182 -1.868 -12.673 1.00 0.00 H new ATOM 0 HA ALA A 521 7.573 -0.580 -13.570 1.00 0.00 H new ATOM 0 HB1 ALA A 521 8.664 -2.474 -12.413 1.00 0.00 H new ATOM 0 HB2 ALA A 521 7.404 -1.722 -11.406 1.00 0.00 H new ATOM 0 HB3 ALA A 521 7.080 -3.265 -12.231 1.00 0.00 H new ATOM 747 N ARG A 522 6.478 -3.182 -15.211 1.00 0.00 N ATOM 748 CA ARG A 522 6.666 -3.976 -16.419 1.00 0.00 C ATOM 749 C ARG A 522 6.544 -3.106 -17.667 1.00 0.00 C ATOM 750 O ARG A 522 7.300 -3.268 -18.625 1.00 0.00 O ATOM 751 CB ARG A 522 5.642 -5.111 -16.474 1.00 0.00 C ATOM 752 CG ARG A 522 6.010 -6.218 -17.448 1.00 0.00 C ATOM 753 CD ARG A 522 6.870 -7.281 -16.784 1.00 0.00 C ATOM 754 NE ARG A 522 7.686 -8.009 -17.752 1.00 0.00 N ATOM 755 CZ ARG A 522 8.256 -9.181 -17.499 1.00 0.00 C ATOM 756 NH1 ARG A 522 8.100 -9.756 -16.315 1.00 0.00 N ATOM 757 NH2 ARG A 522 8.984 -9.781 -18.432 1.00 0.00 N ATOM 0 H ARG A 522 5.598 -3.354 -14.725 1.00 0.00 H new ATOM 0 HA ARG A 522 7.669 -4.402 -16.390 1.00 0.00 H new ATOM 0 HB2 ARG A 522 5.532 -5.538 -15.477 1.00 0.00 H new ATOM 0 HB3 ARG A 522 4.672 -4.700 -16.754 1.00 0.00 H new ATOM 0 HG2 ARG A 522 5.102 -6.676 -17.840 1.00 0.00 H new ATOM 0 HG3 ARG A 522 6.545 -5.794 -18.297 1.00 0.00 H new ATOM 0 HD2 ARG A 522 7.518 -6.812 -16.043 1.00 0.00 H new ATOM 0 HD3 ARG A 522 6.230 -7.983 -16.249 1.00 0.00 H new ATOM 0 HE ARG A 522 7.826 -7.594 -18.673 1.00 0.00 H new ATOM 0 HH11 ARG A 522 7.541 -9.298 -15.595 1.00 0.00 H new ATOM 0 HH12 ARG A 522 8.539 -10.657 -16.124 1.00 0.00 H new ATOM 0 HH21 ARG A 522 9.106 -9.342 -19.344 1.00 0.00 H new ATOM 0 HH22 ARG A 522 9.422 -10.681 -18.237 1.00 0.00 H new ATOM 771 N ARG A 523 5.588 -2.184 -17.647 1.00 0.00 N ATOM 772 CA ARG A 523 5.365 -1.290 -18.777 1.00 0.00 C ATOM 773 C ARG A 523 6.387 -0.156 -18.783 1.00 0.00 C ATOM 774 O ARG A 523 6.889 0.234 -19.837 1.00 0.00 O ATOM 775 CB ARG A 523 3.949 -0.713 -18.728 1.00 0.00 C ATOM 776 CG ARG A 523 2.889 -1.656 -19.273 1.00 0.00 C ATOM 777 CD ARG A 523 2.322 -2.548 -18.180 1.00 0.00 C ATOM 778 NE ARG A 523 1.096 -3.220 -18.603 1.00 0.00 N ATOM 779 CZ ARG A 523 1.078 -4.288 -19.393 1.00 0.00 C ATOM 780 NH1 ARG A 523 2.214 -4.802 -19.843 1.00 0.00 N ATOM 781 NH2 ARG A 523 -0.078 -4.843 -19.733 1.00 0.00 N ATOM 0 H ARG A 523 4.955 -2.036 -16.861 1.00 0.00 H new ATOM 0 HA ARG A 523 5.483 -1.868 -19.693 1.00 0.00 H new ATOM 0 HB2 ARG A 523 3.704 -0.461 -17.696 1.00 0.00 H new ATOM 0 HB3 ARG A 523 3.924 0.216 -19.297 1.00 0.00 H new ATOM 0 HG2 ARG A 523 2.084 -1.077 -19.726 1.00 0.00 H new ATOM 0 HG3 ARG A 523 3.320 -2.274 -20.061 1.00 0.00 H new ATOM 0 HD2 ARG A 523 3.066 -3.294 -17.899 1.00 0.00 H new ATOM 0 HD3 ARG A 523 2.119 -1.949 -17.292 1.00 0.00 H new ATOM 0 HE ARG A 523 0.205 -2.849 -18.274 1.00 0.00 H new ATOM 0 HH11 ARG A 523 3.104 -4.378 -19.583 1.00 0.00 H new ATOM 0 HH12 ARG A 523 2.198 -5.622 -20.449 1.00 0.00 H new ATOM 0 HH21 ARG A 523 -0.954 -4.450 -19.388 1.00 0.00 H new ATOM 0 HH22 ARG A 523 -0.091 -5.663 -20.340 1.00 0.00 H new ATOM 795 N GLU A 524 6.690 0.367 -17.599 1.00 0.00 N ATOM 796 CA GLU A 524 7.651 1.456 -17.469 1.00 0.00 C ATOM 797 C GLU A 524 9.071 0.963 -17.735 1.00 0.00 C ATOM 798 O GLU A 524 9.904 1.697 -18.266 1.00 0.00 O ATOM 799 CB GLU A 524 7.568 2.075 -16.072 1.00 0.00 C ATOM 800 CG GLU A 524 6.388 3.015 -15.893 1.00 0.00 C ATOM 801 CD GLU A 524 5.130 2.510 -16.574 1.00 0.00 C ATOM 802 OE1 GLU A 524 5.097 2.493 -17.822 1.00 0.00 O ATOM 803 OE2 GLU A 524 4.180 2.132 -15.857 1.00 0.00 O ATOM 0 H GLU A 524 6.284 0.054 -16.717 1.00 0.00 H new ATOM 0 HA GLU A 524 7.403 2.216 -18.211 1.00 0.00 H new ATOM 0 HB2 GLU A 524 7.501 1.276 -15.333 1.00 0.00 H new ATOM 0 HB3 GLU A 524 8.490 2.620 -15.870 1.00 0.00 H new ATOM 0 HG2 GLU A 524 6.192 3.148 -14.829 1.00 0.00 H new ATOM 0 HG3 GLU A 524 6.645 3.995 -16.294 1.00 0.00 H new ATOM 810 N ASP A 525 9.338 -0.283 -17.361 1.00 0.00 N ATOM 811 CA ASP A 525 10.656 -0.875 -17.559 1.00 0.00 C ATOM 812 C ASP A 525 11.690 -0.215 -16.651 1.00 0.00 C ATOM 813 O ASP A 525 12.831 0.007 -17.055 1.00 0.00 O ATOM 814 CB ASP A 525 11.084 -0.742 -19.021 1.00 0.00 C ATOM 815 CG ASP A 525 12.105 -1.788 -19.423 1.00 0.00 C ATOM 816 OD1 ASP A 525 11.818 -2.992 -19.258 1.00 0.00 O ATOM 817 OD2 ASP A 525 13.191 -1.402 -19.902 1.00 0.00 O ATOM 0 H ASP A 525 8.659 -0.903 -16.919 1.00 0.00 H new ATOM 0 HA ASP A 525 10.595 -1.932 -17.301 1.00 0.00 H new ATOM 0 HB2 ASP A 525 10.207 -0.829 -19.663 1.00 0.00 H new ATOM 0 HB3 ASP A 525 11.502 0.251 -19.185 1.00 0.00 H new ATOM 822 N GLU A 526 11.281 0.098 -15.426 1.00 0.00 N ATOM 823 CA GLU A 526 12.172 0.734 -14.463 1.00 0.00 C ATOM 824 C GLU A 526 12.349 -0.140 -13.225 1.00 0.00 C ATOM 825 O GLU A 526 11.728 -1.196 -13.103 1.00 0.00 O ATOM 826 CB GLU A 526 11.626 2.105 -14.058 1.00 0.00 C ATOM 827 CG GLU A 526 11.958 3.209 -15.049 1.00 0.00 C ATOM 828 CD GLU A 526 10.951 4.342 -15.018 1.00 0.00 C ATOM 829 OE1 GLU A 526 10.236 4.472 -14.003 1.00 0.00 O ATOM 830 OE2 GLU A 526 10.877 5.098 -16.009 1.00 0.00 O ATOM 0 H GLU A 526 10.339 -0.078 -15.077 1.00 0.00 H new ATOM 0 HA GLU A 526 13.145 0.863 -14.938 1.00 0.00 H new ATOM 0 HB2 GLU A 526 10.543 2.038 -13.950 1.00 0.00 H new ATOM 0 HB3 GLU A 526 12.028 2.373 -13.081 1.00 0.00 H new ATOM 0 HG2 GLU A 526 12.950 3.603 -14.829 1.00 0.00 H new ATOM 0 HG3 GLU A 526 11.997 2.790 -16.054 1.00 0.00 H new ATOM 837 N SER A 527 13.202 0.307 -12.309 1.00 0.00 N ATOM 838 CA SER A 527 13.465 -0.436 -11.082 1.00 0.00 C ATOM 839 C SER A 527 12.195 -0.574 -10.248 1.00 0.00 C ATOM 840 O SER A 527 11.460 0.393 -10.051 1.00 0.00 O ATOM 841 CB SER A 527 14.554 0.260 -10.263 1.00 0.00 C ATOM 842 OG SER A 527 15.831 0.074 -10.848 1.00 0.00 O ATOM 0 H SER A 527 13.723 1.180 -12.393 1.00 0.00 H new ATOM 0 HA SER A 527 13.809 -1.433 -11.357 1.00 0.00 H new ATOM 0 HB2 SER A 527 14.335 1.325 -10.192 1.00 0.00 H new ATOM 0 HB3 SER A 527 14.556 -0.133 -9.246 1.00 0.00 H new ATOM 0 HG SER A 527 16.509 0.530 -10.306 1.00 0.00 H new ATOM 848 N TYR A 528 11.945 -1.784 -9.759 1.00 0.00 N ATOM 849 CA TYR A 528 10.763 -2.051 -8.948 1.00 0.00 C ATOM 850 C TYR A 528 10.659 -1.059 -7.795 1.00 0.00 C ATOM 851 O TYR A 528 9.680 -0.322 -7.681 1.00 0.00 O ATOM 852 CB TYR A 528 10.805 -3.480 -8.404 1.00 0.00 C ATOM 853 CG TYR A 528 10.400 -4.526 -9.418 1.00 0.00 C ATOM 854 CD1 TYR A 528 9.070 -4.681 -9.791 1.00 0.00 C ATOM 855 CD2 TYR A 528 11.345 -5.361 -10.001 1.00 0.00 C ATOM 856 CE1 TYR A 528 8.695 -5.636 -10.717 1.00 0.00 C ATOM 857 CE2 TYR A 528 10.979 -6.317 -10.928 1.00 0.00 C ATOM 858 CZ TYR A 528 9.653 -6.451 -11.282 1.00 0.00 C ATOM 859 OH TYR A 528 9.284 -7.404 -12.204 1.00 0.00 O ATOM 0 H TYR A 528 12.545 -2.595 -9.910 1.00 0.00 H new ATOM 0 HA TYR A 528 9.884 -1.936 -9.582 1.00 0.00 H new ATOM 0 HB2 TYR A 528 11.814 -3.697 -8.054 1.00 0.00 H new ATOM 0 HB3 TYR A 528 10.146 -3.550 -7.539 1.00 0.00 H new ATOM 0 HD1 TYR A 528 8.317 -4.045 -9.350 1.00 0.00 H new ATOM 0 HD2 TYR A 528 12.384 -5.261 -9.724 1.00 0.00 H new ATOM 0 HE1 TYR A 528 7.657 -5.743 -10.997 1.00 0.00 H new ATOM 0 HE2 TYR A 528 11.727 -6.956 -11.373 1.00 0.00 H new ATOM 0 HH TYR A 528 10.078 -7.892 -12.505 1.00 0.00 H new ATOM 869 N GLY A 529 11.677 -1.045 -6.940 1.00 0.00 N ATOM 870 CA GLY A 529 11.682 -0.139 -5.806 1.00 0.00 C ATOM 871 C GLY A 529 11.387 1.293 -6.206 1.00 0.00 C ATOM 872 O GLY A 529 10.571 1.966 -5.576 1.00 0.00 O ATOM 0 H GLY A 529 12.499 -1.645 -7.012 1.00 0.00 H new ATOM 0 HA2 GLY A 529 10.941 -0.469 -5.078 1.00 0.00 H new ATOM 0 HA3 GLY A 529 12.654 -0.183 -5.314 1.00 0.00 H new ATOM 876 N TYR A 530 12.053 1.761 -7.256 1.00 0.00 N ATOM 877 CA TYR A 530 11.861 3.124 -7.737 1.00 0.00 C ATOM 878 C TYR A 530 10.377 3.471 -7.812 1.00 0.00 C ATOM 879 O TYR A 530 9.962 4.562 -7.421 1.00 0.00 O ATOM 880 CB TYR A 530 12.507 3.297 -9.113 1.00 0.00 C ATOM 881 CG TYR A 530 12.107 4.576 -9.813 1.00 0.00 C ATOM 882 CD1 TYR A 530 12.761 5.772 -9.542 1.00 0.00 C ATOM 883 CD2 TYR A 530 11.076 4.590 -10.743 1.00 0.00 C ATOM 884 CE1 TYR A 530 12.399 6.944 -10.178 1.00 0.00 C ATOM 885 CE2 TYR A 530 10.709 5.756 -11.386 1.00 0.00 C ATOM 886 CZ TYR A 530 11.373 6.930 -11.100 1.00 0.00 C ATOM 887 OH TYR A 530 11.009 8.095 -11.736 1.00 0.00 O ATOM 0 H TYR A 530 12.730 1.217 -7.790 1.00 0.00 H new ATOM 0 HA TYR A 530 12.339 3.803 -7.031 1.00 0.00 H new ATOM 0 HB2 TYR A 530 13.591 3.278 -9.001 1.00 0.00 H new ATOM 0 HB3 TYR A 530 12.236 2.449 -9.742 1.00 0.00 H new ATOM 0 HD1 TYR A 530 13.566 5.786 -8.822 1.00 0.00 H new ATOM 0 HD2 TYR A 530 10.552 3.673 -10.968 1.00 0.00 H new ATOM 0 HE1 TYR A 530 12.916 7.865 -9.955 1.00 0.00 H new ATOM 0 HE2 TYR A 530 9.906 5.748 -12.109 1.00 0.00 H new ATOM 0 HH TYR A 530 10.271 7.913 -12.355 1.00 0.00 H new ATOM 897 N VAL A 531 9.582 2.534 -8.319 1.00 0.00 N ATOM 898 CA VAL A 531 8.143 2.738 -8.444 1.00 0.00 C ATOM 899 C VAL A 531 7.513 3.053 -7.093 1.00 0.00 C ATOM 900 O VAL A 531 7.013 4.156 -6.870 1.00 0.00 O ATOM 901 CB VAL A 531 7.451 1.501 -9.046 1.00 0.00 C ATOM 902 CG1 VAL A 531 5.944 1.702 -9.093 1.00 0.00 C ATOM 903 CG2 VAL A 531 8.001 1.206 -10.434 1.00 0.00 C ATOM 0 H VAL A 531 9.910 1.626 -8.650 1.00 0.00 H new ATOM 0 HA VAL A 531 8.001 3.586 -9.114 1.00 0.00 H new ATOM 0 HB VAL A 531 7.659 0.643 -8.407 1.00 0.00 H new ATOM 0 HG11 VAL A 531 5.472 0.818 -9.521 1.00 0.00 H new ATOM 0 HG12 VAL A 531 5.567 1.861 -8.083 1.00 0.00 H new ATOM 0 HG13 VAL A 531 5.712 2.571 -9.708 1.00 0.00 H new ATOM 0 HG21 VAL A 531 7.501 0.329 -10.845 1.00 0.00 H new ATOM 0 HG22 VAL A 531 7.824 2.062 -11.085 1.00 0.00 H new ATOM 0 HG23 VAL A 531 9.072 1.015 -10.368 1.00 0.00 H new ATOM 913 N LEU A 532 7.539 2.076 -6.192 1.00 0.00 N ATOM 914 CA LEU A 532 6.971 2.248 -4.860 1.00 0.00 C ATOM 915 C LEU A 532 7.671 1.347 -3.848 1.00 0.00 C ATOM 916 O LEU A 532 7.632 0.120 -3.941 1.00 0.00 O ATOM 917 CB LEU A 532 5.472 1.942 -4.881 1.00 0.00 C ATOM 918 CG LEU A 532 4.716 2.199 -3.576 1.00 0.00 C ATOM 919 CD1 LEU A 532 4.523 3.691 -3.357 1.00 0.00 C ATOM 920 CD2 LEU A 532 3.374 1.481 -3.587 1.00 0.00 C ATOM 0 H LEU A 532 7.948 1.157 -6.360 1.00 0.00 H new ATOM 0 HA LEU A 532 7.121 3.285 -4.559 1.00 0.00 H new ATOM 0 HB2 LEU A 532 5.011 2.538 -5.668 1.00 0.00 H new ATOM 0 HB3 LEU A 532 5.339 0.895 -5.155 1.00 0.00 H new ATOM 0 HG LEU A 532 5.309 1.805 -2.751 1.00 0.00 H new ATOM 0 HD11 LEU A 532 3.983 3.855 -2.424 1.00 0.00 H new ATOM 0 HD12 LEU A 532 5.496 4.180 -3.304 1.00 0.00 H new ATOM 0 HD13 LEU A 532 3.951 4.109 -4.185 1.00 0.00 H new ATOM 0 HD21 LEU A 532 2.850 1.675 -2.651 1.00 0.00 H new ATOM 0 HD22 LEU A 532 2.774 1.844 -4.421 1.00 0.00 H new ATOM 0 HD23 LEU A 532 3.536 0.409 -3.697 1.00 0.00 H new ATOM 932 N PRO A 533 8.327 1.968 -2.857 1.00 0.00 N ATOM 933 CA PRO A 533 9.047 1.242 -1.807 1.00 0.00 C ATOM 934 C PRO A 533 8.104 0.511 -0.857 1.00 0.00 C ATOM 935 O PRO A 533 6.885 0.640 -0.957 1.00 0.00 O ATOM 936 CB PRO A 533 9.802 2.347 -1.065 1.00 0.00 C ATOM 937 CG PRO A 533 9.004 3.581 -1.309 1.00 0.00 C ATOM 938 CD PRO A 533 8.416 3.428 -2.684 1.00 0.00 C ATOM 0 HA PRO A 533 9.694 0.467 -2.218 1.00 0.00 H new ATOM 0 HB2 PRO A 533 9.877 2.128 0.000 1.00 0.00 H new ATOM 0 HB3 PRO A 533 10.819 2.453 -1.441 1.00 0.00 H new ATOM 0 HG2 PRO A 533 8.220 3.694 -0.560 1.00 0.00 H new ATOM 0 HG3 PRO A 533 9.632 4.470 -1.250 1.00 0.00 H new ATOM 0 HD2 PRO A 533 7.437 3.902 -2.757 1.00 0.00 H new ATOM 0 HD3 PRO A 533 9.049 3.885 -3.445 1.00 0.00 H new ATOM 946 N ASN A 534 8.677 -0.256 0.065 1.00 0.00 N ATOM 947 CA ASN A 534 7.887 -1.008 1.033 1.00 0.00 C ATOM 948 C ASN A 534 7.277 -0.078 2.077 1.00 0.00 C ATOM 949 O ASN A 534 6.058 -0.028 2.243 1.00 0.00 O ATOM 950 CB ASN A 534 8.755 -2.065 1.719 1.00 0.00 C ATOM 951 CG ASN A 534 8.895 -3.326 0.889 1.00 0.00 C ATOM 952 OD1 ASN A 534 7.904 -3.968 0.543 1.00 0.00 O ATOM 953 ND2 ASN A 534 10.132 -3.687 0.566 1.00 0.00 N ATOM 0 H ASN A 534 9.686 -0.373 0.162 1.00 0.00 H new ATOM 0 HA ASN A 534 7.077 -1.504 0.498 1.00 0.00 H new ATOM 0 HB2 ASN A 534 9.744 -1.649 1.913 1.00 0.00 H new ATOM 0 HB3 ASN A 534 8.320 -2.316 2.686 1.00 0.00 H new ATOM 0 HD21 ASN A 534 10.289 -4.527 0.009 1.00 0.00 H new ATOM 0 HD22 ASN A 534 10.925 -3.124 0.875 1.00 0.00 H new ATOM 960 N HIS A 535 8.134 0.659 2.777 1.00 0.00 N ATOM 961 CA HIS A 535 7.679 1.589 3.805 1.00 0.00 C ATOM 962 C HIS A 535 6.473 2.387 3.320 1.00 0.00 C ATOM 963 O HIS A 535 5.492 2.549 4.045 1.00 0.00 O ATOM 964 CB HIS A 535 8.810 2.540 4.198 1.00 0.00 C ATOM 965 CG HIS A 535 9.575 3.077 3.027 1.00 0.00 C ATOM 966 ND1 HIS A 535 9.161 4.168 2.294 1.00 0.00 N ATOM 967 CD2 HIS A 535 10.736 2.666 2.465 1.00 0.00 C ATOM 968 CE1 HIS A 535 10.033 4.405 1.330 1.00 0.00 C ATOM 969 NE2 HIS A 535 10.999 3.508 1.412 1.00 0.00 N ATOM 0 H HIS A 535 9.146 0.630 2.651 1.00 0.00 H new ATOM 0 HA HIS A 535 7.381 1.009 4.679 1.00 0.00 H new ATOM 0 HB2 HIS A 535 8.393 3.374 4.762 1.00 0.00 H new ATOM 0 HB3 HIS A 535 9.498 2.018 4.863 1.00 0.00 H new ATOM 0 HD2 HIS A 535 11.342 1.832 2.785 1.00 0.00 H new ATOM 0 HE1 HIS A 535 9.967 5.197 0.599 1.00 0.00 H new ATOM 0 HE2 HIS A 535 11.808 3.450 0.794 1.00 0.00 H new ATOM 977 N MET A 536 6.553 2.884 2.090 1.00 0.00 N ATOM 978 CA MET A 536 5.467 3.665 1.509 1.00 0.00 C ATOM 979 C MET A 536 4.255 2.783 1.226 1.00 0.00 C ATOM 980 O MET A 536 3.143 3.084 1.659 1.00 0.00 O ATOM 981 CB MET A 536 5.932 4.343 0.219 1.00 0.00 C ATOM 982 CG MET A 536 4.975 5.411 -0.285 1.00 0.00 C ATOM 983 SD MET A 536 5.657 6.365 -1.654 1.00 0.00 S ATOM 984 CE MET A 536 6.917 7.317 -0.810 1.00 0.00 C ATOM 0 H MET A 536 7.358 2.760 1.476 1.00 0.00 H new ATOM 0 HA MET A 536 5.177 4.430 2.229 1.00 0.00 H new ATOM 0 HB2 MET A 536 6.910 4.793 0.387 1.00 0.00 H new ATOM 0 HB3 MET A 536 6.058 3.586 -0.555 1.00 0.00 H new ATOM 0 HG2 MET A 536 4.045 4.939 -0.604 1.00 0.00 H new ATOM 0 HG3 MET A 536 4.726 6.086 0.534 1.00 0.00 H new ATOM 0 HE1 MET A 536 7.193 8.177 -1.420 1.00 0.00 H new ATOM 0 HE2 MET A 536 6.531 7.661 0.150 1.00 0.00 H new ATOM 0 HE3 MET A 536 7.795 6.693 -0.645 1.00 0.00 H new ATOM 994 N MET A 537 4.478 1.695 0.497 1.00 0.00 N ATOM 995 CA MET A 537 3.403 0.770 0.157 1.00 0.00 C ATOM 996 C MET A 537 2.576 0.421 1.391 1.00 0.00 C ATOM 997 O MET A 537 1.345 0.416 1.345 1.00 0.00 O ATOM 998 CB MET A 537 3.975 -0.505 -0.465 1.00 0.00 C ATOM 999 CG MET A 537 2.934 -1.358 -1.170 1.00 0.00 C ATOM 1000 SD MET A 537 3.332 -3.116 -1.130 1.00 0.00 S ATOM 1001 CE MET A 537 4.816 -3.150 -2.132 1.00 0.00 C ATOM 0 H MET A 537 5.393 1.432 0.130 1.00 0.00 H new ATOM 0 HA MET A 537 2.753 1.259 -0.569 1.00 0.00 H new ATOM 0 HB2 MET A 537 4.754 -0.234 -1.178 1.00 0.00 H new ATOM 0 HB3 MET A 537 4.451 -1.098 0.316 1.00 0.00 H new ATOM 0 HG2 MET A 537 1.962 -1.199 -0.702 1.00 0.00 H new ATOM 0 HG3 MET A 537 2.846 -1.033 -2.207 1.00 0.00 H new ATOM 0 HE1 MET A 537 5.292 -4.126 -2.044 1.00 0.00 H new ATOM 0 HE2 MET A 537 4.556 -2.966 -3.174 1.00 0.00 H new ATOM 0 HE3 MET A 537 5.505 -2.378 -1.789 1.00 0.00 H new ATOM 1011 N LEU A 538 3.260 0.129 2.492 1.00 0.00 N ATOM 1012 CA LEU A 538 2.588 -0.222 3.739 1.00 0.00 C ATOM 1013 C LEU A 538 1.773 0.953 4.268 1.00 0.00 C ATOM 1014 O LEU A 538 0.572 0.832 4.509 1.00 0.00 O ATOM 1015 CB LEU A 538 3.613 -0.660 4.787 1.00 0.00 C ATOM 1016 CG LEU A 538 4.125 -2.096 4.666 1.00 0.00 C ATOM 1017 CD1 LEU A 538 5.355 -2.299 5.536 1.00 0.00 C ATOM 1018 CD2 LEU A 538 3.032 -3.085 5.045 1.00 0.00 C ATOM 0 H LEU A 538 4.279 0.128 2.547 1.00 0.00 H new ATOM 0 HA LEU A 538 1.908 -1.049 3.536 1.00 0.00 H new ATOM 0 HB2 LEU A 538 4.467 0.015 4.735 1.00 0.00 H new ATOM 0 HB3 LEU A 538 3.169 -0.536 5.775 1.00 0.00 H new ATOM 0 HG LEU A 538 4.406 -2.275 3.628 1.00 0.00 H new ATOM 0 HD11 LEU A 538 5.705 -3.326 5.437 1.00 0.00 H new ATOM 0 HD12 LEU A 538 6.142 -1.615 5.218 1.00 0.00 H new ATOM 0 HD13 LEU A 538 5.101 -2.101 6.577 1.00 0.00 H new ATOM 0 HD21 LEU A 538 3.414 -4.102 4.953 1.00 0.00 H new ATOM 0 HD22 LEU A 538 2.720 -2.906 6.074 1.00 0.00 H new ATOM 0 HD23 LEU A 538 2.178 -2.956 4.380 1.00 0.00 H new ATOM 1030 N LYS A 539 2.433 2.093 4.444 1.00 0.00 N ATOM 1031 CA LYS A 539 1.771 3.292 4.941 1.00 0.00 C ATOM 1032 C LYS A 539 0.389 3.451 4.314 1.00 0.00 C ATOM 1033 O LYS A 539 -0.605 3.631 5.017 1.00 0.00 O ATOM 1034 CB LYS A 539 2.622 4.530 4.645 1.00 0.00 C ATOM 1035 CG LYS A 539 1.940 5.837 5.008 1.00 0.00 C ATOM 1036 CD LYS A 539 2.845 7.030 4.746 1.00 0.00 C ATOM 1037 CE LYS A 539 3.699 7.359 5.960 1.00 0.00 C ATOM 1038 NZ LYS A 539 4.720 6.307 6.222 1.00 0.00 N ATOM 0 H LYS A 539 3.427 2.211 4.249 1.00 0.00 H new ATOM 0 HA LYS A 539 1.652 3.190 6.020 1.00 0.00 H new ATOM 0 HB2 LYS A 539 3.561 4.455 5.194 1.00 0.00 H new ATOM 0 HB3 LYS A 539 2.873 4.543 3.584 1.00 0.00 H new ATOM 0 HG2 LYS A 539 1.022 5.942 4.430 1.00 0.00 H new ATOM 0 HG3 LYS A 539 1.655 5.820 6.060 1.00 0.00 H new ATOM 0 HD2 LYS A 539 3.490 6.818 3.893 1.00 0.00 H new ATOM 0 HD3 LYS A 539 2.239 7.896 4.481 1.00 0.00 H new ATOM 0 HE2 LYS A 539 4.196 8.317 5.806 1.00 0.00 H new ATOM 0 HE3 LYS A 539 3.059 7.470 6.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 539 5.512 6.718 6.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 539 4.291 5.537 6.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 539 5.070 5.930 5.318 1.00 0.00 H new ATOM 1052 N ILE A 540 0.335 3.381 2.988 1.00 0.00 N ATOM 1053 CA ILE A 540 -0.925 3.514 2.268 1.00 0.00 C ATOM 1054 C ILE A 540 -1.847 2.333 2.551 1.00 0.00 C ATOM 1055 O ILE A 540 -2.992 2.513 2.965 1.00 0.00 O ATOM 1056 CB ILE A 540 -0.696 3.618 0.748 1.00 0.00 C ATOM 1057 CG1 ILE A 540 0.167 4.840 0.423 1.00 0.00 C ATOM 1058 CG2 ILE A 540 -2.027 3.694 0.016 1.00 0.00 C ATOM 1059 CD1 ILE A 540 0.890 4.734 -0.901 1.00 0.00 C ATOM 0 H ILE A 540 1.149 3.233 2.391 1.00 0.00 H new ATOM 0 HA ILE A 540 -1.395 4.432 2.621 1.00 0.00 H new ATOM 0 HB ILE A 540 -0.169 2.724 0.413 1.00 0.00 H new ATOM 0 HG12 ILE A 540 -0.465 5.728 0.413 1.00 0.00 H new ATOM 0 HG13 ILE A 540 0.900 4.979 1.218 1.00 0.00 H new ATOM 0 HG21 ILE A 540 -1.849 3.767 -1.057 1.00 0.00 H new ATOM 0 HG22 ILE A 540 -2.610 2.797 0.227 1.00 0.00 H new ATOM 0 HG23 ILE A 540 -2.578 4.572 0.353 1.00 0.00 H new ATOM 0 HD11 ILE A 540 1.482 5.635 -1.066 1.00 0.00 H new ATOM 0 HD12 ILE A 540 1.548 3.865 -0.888 1.00 0.00 H new ATOM 0 HD13 ILE A 540 0.162 4.626 -1.705 1.00 0.00 H new ATOM 1071 N ALA A 541 -1.340 1.125 2.327 1.00 0.00 N ATOM 1072 CA ALA A 541 -2.117 -0.085 2.562 1.00 0.00 C ATOM 1073 C ALA A 541 -2.814 -0.036 3.918 1.00 0.00 C ATOM 1074 O ALA A 541 -3.954 -0.476 4.055 1.00 0.00 O ATOM 1075 CB ALA A 541 -1.222 -1.313 2.471 1.00 0.00 C ATOM 0 H ALA A 541 -0.394 0.959 1.983 1.00 0.00 H new ATOM 0 HA ALA A 541 -2.884 -0.150 1.791 1.00 0.00 H new ATOM 0 HB1 ALA A 541 -1.816 -2.210 2.649 1.00 0.00 H new ATOM 0 HB2 ALA A 541 -0.775 -1.365 1.478 1.00 0.00 H new ATOM 0 HB3 ALA A 541 -0.434 -1.245 3.221 1.00 0.00 H new ATOM 1081 N GLU A 542 -2.119 0.502 4.916 1.00 0.00 N ATOM 1082 CA GLU A 542 -2.673 0.607 6.261 1.00 0.00 C ATOM 1083 C GLU A 542 -3.630 1.791 6.365 1.00 0.00 C ATOM 1084 O GLU A 542 -4.681 1.698 6.998 1.00 0.00 O ATOM 1085 CB GLU A 542 -1.549 0.755 7.288 1.00 0.00 C ATOM 1086 CG GLU A 542 -0.599 -0.431 7.326 1.00 0.00 C ATOM 1087 CD GLU A 542 0.004 -0.652 8.700 1.00 0.00 C ATOM 1088 OE1 GLU A 542 -0.768 -0.869 9.658 1.00 0.00 O ATOM 1089 OE2 GLU A 542 1.246 -0.608 8.817 1.00 0.00 O ATOM 0 H GLU A 542 -1.173 0.871 4.819 1.00 0.00 H new ATOM 0 HA GLU A 542 -3.229 -0.307 6.470 1.00 0.00 H new ATOM 0 HB2 GLU A 542 -0.981 1.658 7.065 1.00 0.00 H new ATOM 0 HB3 GLU A 542 -1.987 0.891 8.277 1.00 0.00 H new ATOM 0 HG2 GLU A 542 -1.134 -1.330 7.019 1.00 0.00 H new ATOM 0 HG3 GLU A 542 0.201 -0.274 6.603 1.00 0.00 H new ATOM 1096 N GLU A 543 -3.258 2.903 5.738 1.00 0.00 N ATOM 1097 CA GLU A 543 -4.082 4.105 5.762 1.00 0.00 C ATOM 1098 C GLU A 543 -5.464 3.828 5.176 1.00 0.00 C ATOM 1099 O GLU A 543 -6.485 4.155 5.782 1.00 0.00 O ATOM 1100 CB GLU A 543 -3.402 5.232 4.982 1.00 0.00 C ATOM 1101 CG GLU A 543 -2.381 6.007 5.799 1.00 0.00 C ATOM 1102 CD GLU A 543 -1.708 7.106 5.000 1.00 0.00 C ATOM 1103 OE1 GLU A 543 -1.665 6.996 3.757 1.00 0.00 O ATOM 1104 OE2 GLU A 543 -1.225 8.077 5.619 1.00 0.00 O ATOM 0 H GLU A 543 -2.392 2.996 5.208 1.00 0.00 H new ATOM 0 HA GLU A 543 -4.201 4.413 6.801 1.00 0.00 H new ATOM 0 HB2 GLU A 543 -2.909 4.810 4.106 1.00 0.00 H new ATOM 0 HB3 GLU A 543 -4.164 5.922 4.619 1.00 0.00 H new ATOM 0 HG2 GLU A 543 -2.873 6.444 6.668 1.00 0.00 H new ATOM 0 HG3 GLU A 543 -1.623 5.319 6.174 1.00 0.00 H new ATOM 1111 N LEU A 544 -5.488 3.225 3.992 1.00 0.00 N ATOM 1112 CA LEU A 544 -6.743 2.904 3.322 1.00 0.00 C ATOM 1113 C LEU A 544 -7.567 4.164 3.075 1.00 0.00 C ATOM 1114 O LEU A 544 -8.743 4.246 3.428 1.00 0.00 O ATOM 1115 CB LEU A 544 -7.551 1.910 4.158 1.00 0.00 C ATOM 1116 CG LEU A 544 -6.905 0.542 4.384 1.00 0.00 C ATOM 1117 CD1 LEU A 544 -7.878 -0.401 5.073 1.00 0.00 C ATOM 1118 CD2 LEU A 544 -6.431 -0.048 3.064 1.00 0.00 C ATOM 0 H LEU A 544 -4.652 2.949 3.477 1.00 0.00 H new ATOM 0 HA LEU A 544 -6.506 2.452 2.359 1.00 0.00 H new ATOM 0 HB2 LEU A 544 -7.750 2.361 5.130 1.00 0.00 H new ATOM 0 HB3 LEU A 544 -8.516 1.758 3.674 1.00 0.00 H new ATOM 0 HG LEU A 544 -6.039 0.673 5.032 1.00 0.00 H new ATOM 0 HD11 LEU A 544 -7.401 -1.369 5.225 1.00 0.00 H new ATOM 0 HD12 LEU A 544 -8.168 0.016 6.037 1.00 0.00 H new ATOM 0 HD13 LEU A 544 -8.764 -0.527 4.451 1.00 0.00 H new ATOM 0 HD21 LEU A 544 -5.974 -1.021 3.244 1.00 0.00 H new ATOM 0 HD22 LEU A 544 -7.281 -0.165 2.392 1.00 0.00 H new ATOM 0 HD23 LEU A 544 -5.698 0.619 2.610 1.00 0.00 H new ATOM 1130 N PRO A 545 -6.935 5.171 2.453 1.00 0.00 N ATOM 1131 CA PRO A 545 -7.591 6.445 2.142 1.00 0.00 C ATOM 1132 C PRO A 545 -8.647 6.302 1.051 1.00 0.00 C ATOM 1133 O PRO A 545 -8.377 5.763 -0.022 1.00 0.00 O ATOM 1134 CB PRO A 545 -6.439 7.328 1.659 1.00 0.00 C ATOM 1135 CG PRO A 545 -5.418 6.372 1.146 1.00 0.00 C ATOM 1136 CD PRO A 545 -5.533 5.143 2.004 1.00 0.00 C ATOM 0 HA PRO A 545 -8.124 6.850 3.002 1.00 0.00 H new ATOM 0 HB2 PRO A 545 -6.767 8.014 0.878 1.00 0.00 H new ATOM 0 HB3 PRO A 545 -6.039 7.936 2.470 1.00 0.00 H new ATOM 0 HG2 PRO A 545 -5.598 6.134 0.098 1.00 0.00 H new ATOM 0 HG3 PRO A 545 -4.417 6.799 1.209 1.00 0.00 H new ATOM 0 HD2 PRO A 545 -5.309 4.237 1.441 1.00 0.00 H new ATOM 0 HD3 PRO A 545 -4.841 5.174 2.845 1.00 0.00 H new ATOM 1144 N LYS A 546 -9.851 6.789 1.332 1.00 0.00 N ATOM 1145 CA LYS A 546 -10.948 6.718 0.375 1.00 0.00 C ATOM 1146 C LYS A 546 -10.672 7.603 -0.837 1.00 0.00 C ATOM 1147 O LYS A 546 -10.849 7.180 -1.978 1.00 0.00 O ATOM 1148 CB LYS A 546 -12.260 7.141 1.039 1.00 0.00 C ATOM 1149 CG LYS A 546 -13.221 7.844 0.096 1.00 0.00 C ATOM 1150 CD LYS A 546 -14.635 7.865 0.653 1.00 0.00 C ATOM 1151 CE LYS A 546 -15.432 6.653 0.195 1.00 0.00 C ATOM 1152 NZ LYS A 546 -16.619 6.411 1.062 1.00 0.00 N ATOM 0 H LYS A 546 -10.092 7.238 2.216 1.00 0.00 H new ATOM 0 HA LYS A 546 -11.035 5.685 0.037 1.00 0.00 H new ATOM 0 HB2 LYS A 546 -12.749 6.259 1.451 1.00 0.00 H new ATOM 0 HB3 LYS A 546 -12.037 7.802 1.876 1.00 0.00 H new ATOM 0 HG2 LYS A 546 -12.882 8.865 -0.076 1.00 0.00 H new ATOM 0 HG3 LYS A 546 -13.217 7.340 -0.871 1.00 0.00 H new ATOM 0 HD2 LYS A 546 -14.598 7.887 1.742 1.00 0.00 H new ATOM 0 HD3 LYS A 546 -15.140 8.776 0.333 1.00 0.00 H new ATOM 0 HE2 LYS A 546 -15.758 6.800 -0.835 1.00 0.00 H new ATOM 0 HE3 LYS A 546 -14.790 5.772 0.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 546 -17.136 5.577 0.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 546 -16.307 6.245 2.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 546 -17.244 7.242 1.034 1.00 0.00 H new ATOM 1166 N GLU A 547 -10.235 8.832 -0.579 1.00 0.00 N ATOM 1167 CA GLU A 547 -9.933 9.775 -1.649 1.00 0.00 C ATOM 1168 C GLU A 547 -8.516 9.566 -2.176 1.00 0.00 C ATOM 1169 O GLU A 547 -7.664 8.969 -1.517 1.00 0.00 O ATOM 1170 CB GLU A 547 -10.098 11.213 -1.153 1.00 0.00 C ATOM 1171 CG GLU A 547 -11.500 11.766 -1.344 1.00 0.00 C ATOM 1172 CD GLU A 547 -11.560 13.273 -1.180 1.00 0.00 C ATOM 1173 OE1 GLU A 547 -10.818 13.808 -0.330 1.00 0.00 O ATOM 1174 OE2 GLU A 547 -12.350 13.916 -1.902 1.00 0.00 O ATOM 0 H GLU A 547 -10.082 9.197 0.361 1.00 0.00 H new ATOM 0 HA GLU A 547 -10.634 9.597 -2.464 1.00 0.00 H new ATOM 0 HB2 GLU A 547 -9.841 11.255 -0.095 1.00 0.00 H new ATOM 0 HB3 GLU A 547 -9.389 11.853 -1.679 1.00 0.00 H new ATOM 0 HG2 GLU A 547 -11.860 11.498 -2.337 1.00 0.00 H new ATOM 0 HG3 GLU A 547 -12.172 11.299 -0.624 1.00 0.00 H new ATOM 1181 N PRO A 548 -8.257 10.068 -3.392 1.00 0.00 N ATOM 1182 CA PRO A 548 -6.945 9.949 -4.035 1.00 0.00 C ATOM 1183 C PRO A 548 -5.884 10.803 -3.349 1.00 0.00 C ATOM 1184 O PRO A 548 -4.690 10.642 -3.598 1.00 0.00 O ATOM 1185 CB PRO A 548 -7.200 10.453 -5.457 1.00 0.00 C ATOM 1186 CG PRO A 548 -8.373 11.363 -5.332 1.00 0.00 C ATOM 1187 CD PRO A 548 -9.225 10.791 -4.234 1.00 0.00 C ATOM 0 HA PRO A 548 -6.561 8.930 -3.992 1.00 0.00 H new ATOM 0 HB2 PRO A 548 -6.331 10.979 -5.852 1.00 0.00 H new ATOM 0 HB3 PRO A 548 -7.410 9.628 -6.138 1.00 0.00 H new ATOM 0 HG2 PRO A 548 -8.056 12.378 -5.091 1.00 0.00 H new ATOM 0 HG3 PRO A 548 -8.928 11.416 -6.269 1.00 0.00 H new ATOM 0 HD2 PRO A 548 -9.738 11.573 -3.675 1.00 0.00 H new ATOM 0 HD3 PRO A 548 -9.992 10.124 -4.627 1.00 0.00 H new ATOM 1195 N GLN A 549 -6.329 11.710 -2.485 1.00 0.00 N ATOM 1196 CA GLN A 549 -5.416 12.589 -1.764 1.00 0.00 C ATOM 1197 C GLN A 549 -4.603 11.806 -0.738 1.00 0.00 C ATOM 1198 O GLN A 549 -3.389 11.976 -0.633 1.00 0.00 O ATOM 1199 CB GLN A 549 -6.194 13.708 -1.069 1.00 0.00 C ATOM 1200 CG GLN A 549 -5.403 14.997 -0.920 1.00 0.00 C ATOM 1201 CD GLN A 549 -5.523 15.899 -2.133 1.00 0.00 C ATOM 1202 OE1 GLN A 549 -6.446 15.759 -2.936 1.00 0.00 O ATOM 1203 NE2 GLN A 549 -4.588 16.831 -2.273 1.00 0.00 N ATOM 0 H GLN A 549 -7.315 11.855 -2.268 1.00 0.00 H new ATOM 0 HA GLN A 549 -4.728 13.029 -2.487 1.00 0.00 H new ATOM 0 HB2 GLN A 549 -7.103 13.913 -1.635 1.00 0.00 H new ATOM 0 HB3 GLN A 549 -6.503 13.365 -0.082 1.00 0.00 H new ATOM 0 HG2 GLN A 549 -5.752 15.533 -0.037 1.00 0.00 H new ATOM 0 HG3 GLN A 549 -4.353 14.757 -0.753 1.00 0.00 H new ATOM 0 HE21 GLN A 549 -3.841 16.911 -1.583 1.00 0.00 H new ATOM 0 HE22 GLN A 549 -4.617 17.467 -3.070 1.00 0.00 H new ATOM 1212 N GLY A 550 -5.282 10.948 0.018 1.00 0.00 N ATOM 1213 CA GLY A 550 -4.606 10.153 1.027 1.00 0.00 C ATOM 1214 C GLY A 550 -3.438 9.369 0.461 1.00 0.00 C ATOM 1215 O GLY A 550 -2.547 8.951 1.200 1.00 0.00 O ATOM 0 H GLY A 550 -6.287 10.789 -0.050 1.00 0.00 H new ATOM 0 HA2 GLY A 550 -4.249 10.808 1.822 1.00 0.00 H new ATOM 0 HA3 GLY A 550 -5.318 9.463 1.479 1.00 0.00 H new ATOM 1219 N ILE A 551 -3.443 9.169 -0.853 1.00 0.00 N ATOM 1220 CA ILE A 551 -2.376 8.430 -1.517 1.00 0.00 C ATOM 1221 C ILE A 551 -1.233 9.357 -1.917 1.00 0.00 C ATOM 1222 O ILE A 551 -0.093 8.920 -2.073 1.00 0.00 O ATOM 1223 CB ILE A 551 -2.893 7.699 -2.770 1.00 0.00 C ATOM 1224 CG1 ILE A 551 -3.932 6.646 -2.380 1.00 0.00 C ATOM 1225 CG2 ILE A 551 -1.738 7.058 -3.523 1.00 0.00 C ATOM 1226 CD1 ILE A 551 -5.351 7.170 -2.373 1.00 0.00 C ATOM 0 H ILE A 551 -4.174 9.508 -1.478 1.00 0.00 H new ATOM 0 HA ILE A 551 -2.010 7.693 -0.802 1.00 0.00 H new ATOM 0 HB ILE A 551 -3.370 8.427 -3.427 1.00 0.00 H new ATOM 0 HG12 ILE A 551 -3.866 5.808 -3.074 1.00 0.00 H new ATOM 0 HG13 ILE A 551 -3.691 6.259 -1.390 1.00 0.00 H new ATOM 0 HG21 ILE A 551 -2.119 6.545 -4.406 1.00 0.00 H new ATOM 0 HG22 ILE A 551 -1.030 7.829 -3.828 1.00 0.00 H new ATOM 0 HG23 ILE A 551 -1.235 6.340 -2.875 1.00 0.00 H new ATOM 0 HD11 ILE A 551 -6.033 6.369 -2.088 1.00 0.00 H new ATOM 0 HD12 ILE A 551 -5.433 7.989 -1.658 1.00 0.00 H new ATOM 0 HD13 ILE A 551 -5.611 7.530 -3.368 1.00 0.00 H new ATOM 1238 N ILE A 552 -1.547 10.638 -2.081 1.00 0.00 N ATOM 1239 CA ILE A 552 -0.545 11.626 -2.461 1.00 0.00 C ATOM 1240 C ILE A 552 0.185 12.167 -1.236 1.00 0.00 C ATOM 1241 O ILE A 552 1.387 12.428 -1.283 1.00 0.00 O ATOM 1242 CB ILE A 552 -1.177 12.802 -3.229 1.00 0.00 C ATOM 1243 CG1 ILE A 552 -1.867 12.298 -4.499 1.00 0.00 C ATOM 1244 CG2 ILE A 552 -0.120 13.841 -3.571 1.00 0.00 C ATOM 1245 CD1 ILE A 552 -2.421 13.407 -5.366 1.00 0.00 C ATOM 0 H ILE A 552 -2.486 11.015 -1.957 1.00 0.00 H new ATOM 0 HA ILE A 552 0.168 11.119 -3.112 1.00 0.00 H new ATOM 0 HB ILE A 552 -1.927 13.271 -2.592 1.00 0.00 H new ATOM 0 HG12 ILE A 552 -1.155 11.713 -5.082 1.00 0.00 H new ATOM 0 HG13 ILE A 552 -2.679 11.626 -4.220 1.00 0.00 H new ATOM 0 HG21 ILE A 552 -0.582 14.666 -4.114 1.00 0.00 H new ATOM 0 HG22 ILE A 552 0.330 14.218 -2.653 1.00 0.00 H new ATOM 0 HG23 ILE A 552 0.651 13.385 -4.192 1.00 0.00 H new ATOM 0 HD11 ILE A 552 -2.896 12.977 -6.248 1.00 0.00 H new ATOM 0 HD12 ILE A 552 -3.157 13.978 -4.800 1.00 0.00 H new ATOM 0 HD13 ILE A 552 -1.610 14.066 -5.676 1.00 0.00 H new ATOM 1257 N ALA A 553 -0.550 12.332 -0.141 1.00 0.00 N ATOM 1258 CA ALA A 553 0.028 12.838 1.097 1.00 0.00 C ATOM 1259 C ALA A 553 1.049 11.859 1.668 1.00 0.00 C ATOM 1260 O ALA A 553 2.123 12.259 2.118 1.00 0.00 O ATOM 1261 CB ALA A 553 -1.067 13.115 2.116 1.00 0.00 C ATOM 0 H ALA A 553 -1.547 12.122 -0.087 1.00 0.00 H new ATOM 0 HA ALA A 553 0.545 13.771 0.872 1.00 0.00 H new ATOM 0 HB1 ALA A 553 -0.621 13.492 3.036 1.00 0.00 H new ATOM 0 HB2 ALA A 553 -1.757 13.858 1.716 1.00 0.00 H new ATOM 0 HB3 ALA A 553 -1.609 12.193 2.327 1.00 0.00 H new ATOM 1267 N CYS A 554 0.706 10.576 1.646 1.00 0.00 N ATOM 1268 CA CYS A 554 1.593 9.539 2.162 1.00 0.00 C ATOM 1269 C CYS A 554 3.026 9.766 1.694 1.00 0.00 C ATOM 1270 O CYS A 554 3.977 9.541 2.444 1.00 0.00 O ATOM 1271 CB CYS A 554 1.111 8.158 1.716 1.00 0.00 C ATOM 1272 SG CYS A 554 1.466 7.776 -0.015 1.00 0.00 S ATOM 0 H CYS A 554 -0.179 10.229 1.277 1.00 0.00 H new ATOM 0 HA CYS A 554 1.574 9.589 3.251 1.00 0.00 H new ATOM 0 HB2 CYS A 554 1.577 7.401 2.347 1.00 0.00 H new ATOM 0 HB3 CYS A 554 0.035 8.090 1.879 1.00 0.00 H new ATOM 0 HG CYS A 554 0.823 8.605 -0.783 1.00 0.00 H new ATOM 1278 N CYS A 555 3.173 10.211 0.451 1.00 0.00 N ATOM 1279 CA CYS A 555 4.492 10.467 -0.118 1.00 0.00 C ATOM 1280 C CYS A 555 4.795 11.962 -0.138 1.00 0.00 C ATOM 1281 O CYS A 555 3.920 12.778 -0.424 1.00 0.00 O ATOM 1282 CB CYS A 555 4.577 9.898 -1.535 1.00 0.00 C ATOM 1283 SG CYS A 555 3.043 10.039 -2.481 1.00 0.00 S ATOM 0 H CYS A 555 2.396 10.402 -0.182 1.00 0.00 H new ATOM 0 HA CYS A 555 5.234 9.973 0.510 1.00 0.00 H new ATOM 0 HB2 CYS A 555 5.372 10.412 -2.074 1.00 0.00 H new ATOM 0 HB3 CYS A 555 4.860 8.847 -1.476 1.00 0.00 H new ATOM 0 HG CYS A 555 2.350 11.046 -2.037 1.00 0.00 H new ATOM 1289 N ASN A 556 6.040 12.312 0.168 1.00 0.00 N ATOM 1290 CA ASN A 556 6.458 13.709 0.188 1.00 0.00 C ATOM 1291 C ASN A 556 7.979 13.822 0.160 1.00 0.00 C ATOM 1292 O ASN A 556 8.668 13.502 1.129 1.00 0.00 O ATOM 1293 CB ASN A 556 5.906 14.411 1.430 1.00 0.00 C ATOM 1294 CG ASN A 556 5.855 13.495 2.637 1.00 0.00 C ATOM 1295 OD1 ASN A 556 4.780 13.080 3.071 1.00 0.00 O ATOM 1296 ND2 ASN A 556 7.021 13.176 3.187 1.00 0.00 N ATOM 0 H ASN A 556 6.777 11.648 0.405 1.00 0.00 H new ATOM 0 HA ASN A 556 6.059 14.194 -0.703 1.00 0.00 H new ATOM 0 HB2 ASN A 556 6.527 15.277 1.660 1.00 0.00 H new ATOM 0 HB3 ASN A 556 4.904 14.784 1.218 1.00 0.00 H new ATOM 0 HD21 ASN A 556 7.050 12.564 4.002 1.00 0.00 H new ATOM 0 HD22 ASN A 556 7.888 13.543 2.794 1.00 0.00 H new ATOM 1303 N PRO A 557 8.517 14.288 -0.977 1.00 0.00 N ATOM 1304 CA PRO A 557 7.707 14.671 -2.137 1.00 0.00 C ATOM 1305 C PRO A 557 7.066 13.468 -2.819 1.00 0.00 C ATOM 1306 O PRO A 557 7.357 12.321 -2.480 1.00 0.00 O ATOM 1307 CB PRO A 557 8.720 15.339 -3.071 1.00 0.00 C ATOM 1308 CG PRO A 557 10.033 14.744 -2.695 1.00 0.00 C ATOM 1309 CD PRO A 557 9.958 14.477 -1.217 1.00 0.00 C ATOM 0 HA PRO A 557 6.874 15.316 -1.858 1.00 0.00 H new ATOM 0 HB2 PRO A 557 8.482 15.144 -4.117 1.00 0.00 H new ATOM 0 HB3 PRO A 557 8.724 16.421 -2.941 1.00 0.00 H new ATOM 0 HG2 PRO A 557 10.217 13.824 -3.249 1.00 0.00 H new ATOM 0 HG3 PRO A 557 10.851 15.425 -2.928 1.00 0.00 H new ATOM 0 HD2 PRO A 557 10.531 13.593 -0.939 1.00 0.00 H new ATOM 0 HD3 PRO A 557 10.356 15.310 -0.637 1.00 0.00 H new ATOM 1317 N VAL A 558 6.192 13.737 -3.784 1.00 0.00 N ATOM 1318 CA VAL A 558 5.510 12.675 -4.515 1.00 0.00 C ATOM 1319 C VAL A 558 6.229 12.360 -5.823 1.00 0.00 C ATOM 1320 O VAL A 558 6.639 13.252 -6.565 1.00 0.00 O ATOM 1321 CB VAL A 558 4.050 13.055 -4.823 1.00 0.00 C ATOM 1322 CG1 VAL A 558 3.342 11.915 -5.540 1.00 0.00 C ATOM 1323 CG2 VAL A 558 3.316 13.429 -3.544 1.00 0.00 C ATOM 0 H VAL A 558 5.940 14.681 -4.078 1.00 0.00 H new ATOM 0 HA VAL A 558 5.521 11.792 -3.876 1.00 0.00 H new ATOM 0 HB VAL A 558 4.050 13.923 -5.482 1.00 0.00 H new ATOM 0 HG11 VAL A 558 2.311 12.201 -5.750 1.00 0.00 H new ATOM 0 HG12 VAL A 558 3.856 11.699 -6.476 1.00 0.00 H new ATOM 0 HG13 VAL A 558 3.350 11.027 -4.908 1.00 0.00 H new ATOM 0 HG21 VAL A 558 2.286 13.695 -3.780 1.00 0.00 H new ATOM 0 HG22 VAL A 558 3.324 12.581 -2.859 1.00 0.00 H new ATOM 0 HG23 VAL A 558 3.812 14.279 -3.075 1.00 0.00 H new ATOM 1333 N PRO A 559 6.385 11.060 -6.113 1.00 0.00 N ATOM 1334 CA PRO A 559 7.053 10.596 -7.333 1.00 0.00 C ATOM 1335 C PRO A 559 6.232 10.879 -8.587 1.00 0.00 C ATOM 1336 O PRO A 559 5.031 11.141 -8.526 1.00 0.00 O ATOM 1337 CB PRO A 559 7.188 9.088 -7.111 1.00 0.00 C ATOM 1338 CG PRO A 559 6.089 8.744 -6.166 1.00 0.00 C ATOM 1339 CD PRO A 559 5.920 9.943 -5.274 1.00 0.00 C ATOM 0 HA PRO A 559 8.004 11.104 -7.496 1.00 0.00 H new ATOM 0 HB2 PRO A 559 7.090 8.540 -8.048 1.00 0.00 H new ATOM 0 HB3 PRO A 559 8.163 8.835 -6.694 1.00 0.00 H new ATOM 0 HG2 PRO A 559 5.167 8.524 -6.703 1.00 0.00 H new ATOM 0 HG3 PRO A 559 6.338 7.857 -5.584 1.00 0.00 H new ATOM 0 HD2 PRO A 559 4.882 10.074 -4.969 1.00 0.00 H new ATOM 0 HD3 PRO A 559 6.511 9.852 -4.362 1.00 0.00 H new ATOM 1347 N PRO A 560 6.894 10.825 -9.752 1.00 0.00 N ATOM 1348 CA PRO A 560 6.245 11.071 -11.043 1.00 0.00 C ATOM 1349 C PRO A 560 5.277 9.957 -11.428 1.00 0.00 C ATOM 1350 O PRO A 560 4.590 10.042 -12.446 1.00 0.00 O ATOM 1351 CB PRO A 560 7.417 11.124 -12.026 1.00 0.00 C ATOM 1352 CG PRO A 560 8.489 10.315 -11.381 1.00 0.00 C ATOM 1353 CD PRO A 560 8.327 10.518 -9.900 1.00 0.00 C ATOM 0 HA PRO A 560 5.642 11.979 -11.028 1.00 0.00 H new ATOM 0 HB2 PRO A 560 7.139 10.712 -12.996 1.00 0.00 H new ATOM 0 HB3 PRO A 560 7.744 12.150 -12.197 1.00 0.00 H new ATOM 0 HG2 PRO A 560 8.394 9.261 -11.643 1.00 0.00 H new ATOM 0 HG3 PRO A 560 9.475 10.638 -11.714 1.00 0.00 H new ATOM 0 HD2 PRO A 560 8.607 9.626 -9.339 1.00 0.00 H new ATOM 0 HD3 PRO A 560 8.952 11.333 -9.535 1.00 0.00 H new ATOM 1361 N LEU A 561 5.229 8.913 -10.608 1.00 0.00 N ATOM 1362 CA LEU A 561 4.345 7.781 -10.862 1.00 0.00 C ATOM 1363 C LEU A 561 3.076 7.882 -10.022 1.00 0.00 C ATOM 1364 O LEU A 561 1.985 8.101 -10.549 1.00 0.00 O ATOM 1365 CB LEU A 561 5.067 6.467 -10.561 1.00 0.00 C ATOM 1366 CG LEU A 561 6.284 6.154 -11.432 1.00 0.00 C ATOM 1367 CD1 LEU A 561 7.051 4.966 -10.872 1.00 0.00 C ATOM 1368 CD2 LEU A 561 5.857 5.887 -12.868 1.00 0.00 C ATOM 0 H LEU A 561 5.792 8.827 -9.762 1.00 0.00 H new ATOM 0 HA LEU A 561 4.064 7.800 -11.915 1.00 0.00 H new ATOM 0 HB2 LEU A 561 5.386 6.481 -9.519 1.00 0.00 H new ATOM 0 HB3 LEU A 561 4.352 5.651 -10.665 1.00 0.00 H new ATOM 0 HG LEU A 561 6.944 7.021 -11.425 1.00 0.00 H new ATOM 0 HD11 LEU A 561 7.913 4.758 -11.505 1.00 0.00 H new ATOM 0 HD12 LEU A 561 7.390 5.195 -9.862 1.00 0.00 H new ATOM 0 HD13 LEU A 561 6.400 4.092 -10.847 1.00 0.00 H new ATOM 0 HD21 LEU A 561 6.736 5.666 -13.474 1.00 0.00 H new ATOM 0 HD22 LEU A 561 5.176 5.036 -12.893 1.00 0.00 H new ATOM 0 HD23 LEU A 561 5.353 6.767 -13.267 1.00 0.00 H new ATOM 1380 N VAL A 562 3.226 7.721 -8.711 1.00 0.00 N ATOM 1381 CA VAL A 562 2.093 7.797 -7.796 1.00 0.00 C ATOM 1382 C VAL A 562 1.136 8.913 -8.199 1.00 0.00 C ATOM 1383 O VAL A 562 -0.081 8.780 -8.065 1.00 0.00 O ATOM 1384 CB VAL A 562 2.557 8.032 -6.346 1.00 0.00 C ATOM 1385 CG1 VAL A 562 1.372 8.378 -5.456 1.00 0.00 C ATOM 1386 CG2 VAL A 562 3.292 6.810 -5.818 1.00 0.00 C ATOM 0 H VAL A 562 4.121 7.537 -8.259 1.00 0.00 H new ATOM 0 HA VAL A 562 1.575 6.840 -7.853 1.00 0.00 H new ATOM 0 HB VAL A 562 3.247 8.875 -6.335 1.00 0.00 H new ATOM 0 HG11 VAL A 562 1.719 8.541 -4.435 1.00 0.00 H new ATOM 0 HG12 VAL A 562 0.892 9.284 -5.825 1.00 0.00 H new ATOM 0 HG13 VAL A 562 0.655 7.557 -5.469 1.00 0.00 H new ATOM 0 HG21 VAL A 562 3.613 6.993 -4.793 1.00 0.00 H new ATOM 0 HG22 VAL A 562 2.627 5.947 -5.841 1.00 0.00 H new ATOM 0 HG23 VAL A 562 4.164 6.613 -6.441 1.00 0.00 H new ATOM 1396 N ARG A 563 1.693 10.014 -8.694 1.00 0.00 N ATOM 1397 CA ARG A 563 0.889 11.154 -9.116 1.00 0.00 C ATOM 1398 C ARG A 563 0.247 10.893 -10.476 1.00 0.00 C ATOM 1399 O ARG A 563 -0.918 11.222 -10.696 1.00 0.00 O ATOM 1400 CB ARG A 563 1.750 12.417 -9.180 1.00 0.00 C ATOM 1401 CG ARG A 563 0.942 13.699 -9.296 1.00 0.00 C ATOM 1402 CD ARG A 563 0.222 14.023 -7.997 1.00 0.00 C ATOM 1403 NE ARG A 563 -0.436 15.326 -8.045 1.00 0.00 N ATOM 1404 CZ ARG A 563 -1.606 15.537 -8.638 1.00 0.00 C ATOM 1405 NH1 ARG A 563 -2.244 14.536 -9.228 1.00 0.00 N ATOM 1406 NH2 ARG A 563 -2.140 16.752 -8.640 1.00 0.00 N ATOM 0 H ARG A 563 2.698 10.140 -8.812 1.00 0.00 H new ATOM 0 HA ARG A 563 0.097 11.300 -8.382 1.00 0.00 H new ATOM 0 HB2 ARG A 563 2.371 12.469 -8.286 1.00 0.00 H new ATOM 0 HB3 ARG A 563 2.424 12.344 -10.033 1.00 0.00 H new ATOM 0 HG2 ARG A 563 1.603 14.524 -9.563 1.00 0.00 H new ATOM 0 HG3 ARG A 563 0.214 13.600 -10.102 1.00 0.00 H new ATOM 0 HD2 ARG A 563 -0.519 13.250 -7.791 1.00 0.00 H new ATOM 0 HD3 ARG A 563 0.936 14.008 -7.174 1.00 0.00 H new ATOM 0 HE ARG A 563 0.028 16.117 -7.599 1.00 0.00 H new ATOM 0 HH11 ARG A 563 -1.837 13.601 -9.227 1.00 0.00 H new ATOM 0 HH12 ARG A 563 -3.142 14.701 -9.682 1.00 0.00 H new ATOM 0 HH21 ARG A 563 -1.652 17.524 -8.186 1.00 0.00 H new ATOM 0 HH22 ARG A 563 -3.038 16.914 -9.095 1.00 0.00 H new ATOM 1420 N GLN A 564 1.017 10.302 -11.384 1.00 0.00 N ATOM 1421 CA GLN A 564 0.524 9.998 -12.722 1.00 0.00 C ATOM 1422 C GLN A 564 -0.581 8.948 -12.670 1.00 0.00 C ATOM 1423 O GLN A 564 -1.676 9.160 -13.192 1.00 0.00 O ATOM 1424 CB GLN A 564 1.668 9.508 -13.611 1.00 0.00 C ATOM 1425 CG GLN A 564 1.276 9.344 -15.071 1.00 0.00 C ATOM 1426 CD GLN A 564 2.478 9.272 -15.993 1.00 0.00 C ATOM 1427 OE1 GLN A 564 3.083 10.292 -16.323 1.00 0.00 O ATOM 1428 NE2 GLN A 564 2.830 8.063 -16.413 1.00 0.00 N ATOM 0 H GLN A 564 1.984 10.024 -11.217 1.00 0.00 H new ATOM 0 HA GLN A 564 0.110 10.913 -13.146 1.00 0.00 H new ATOM 0 HB2 GLN A 564 2.497 10.212 -13.543 1.00 0.00 H new ATOM 0 HB3 GLN A 564 2.029 8.552 -13.231 1.00 0.00 H new ATOM 0 HG2 GLN A 564 0.681 8.438 -15.184 1.00 0.00 H new ATOM 0 HG3 GLN A 564 0.643 10.180 -15.370 1.00 0.00 H new ATOM 0 HE21 GLN A 564 2.300 7.245 -16.114 1.00 0.00 H new ATOM 0 HE22 GLN A 564 3.631 7.952 -17.035 1.00 0.00 H new ATOM 1437 N GLN A 565 -0.287 7.817 -12.038 1.00 0.00 N ATOM 1438 CA GLN A 565 -1.256 6.734 -11.919 1.00 0.00 C ATOM 1439 C GLN A 565 -2.032 6.839 -10.610 1.00 0.00 C ATOM 1440 O GLN A 565 -2.582 5.851 -10.123 1.00 0.00 O ATOM 1441 CB GLN A 565 -0.550 5.379 -12.000 1.00 0.00 C ATOM 1442 CG GLN A 565 0.239 5.180 -13.284 1.00 0.00 C ATOM 1443 CD GLN A 565 -0.616 4.647 -14.417 1.00 0.00 C ATOM 1444 OE1 GLN A 565 -1.529 5.322 -14.893 1.00 0.00 O ATOM 1445 NE2 GLN A 565 -0.323 3.428 -14.857 1.00 0.00 N ATOM 0 H GLN A 565 0.614 7.626 -11.600 1.00 0.00 H new ATOM 0 HA GLN A 565 -1.961 6.819 -12.746 1.00 0.00 H new ATOM 0 HB2 GLN A 565 0.124 5.279 -11.150 1.00 0.00 H new ATOM 0 HB3 GLN A 565 -1.293 4.586 -11.913 1.00 0.00 H new ATOM 0 HG2 GLN A 565 0.683 6.129 -13.584 1.00 0.00 H new ATOM 0 HG3 GLN A 565 1.061 4.489 -13.098 1.00 0.00 H new ATOM 0 HE21 GLN A 565 0.442 2.903 -14.434 1.00 0.00 H new ATOM 0 HE22 GLN A 565 -0.863 3.017 -15.618 1.00 0.00 H new ATOM 1454 N ILE A 566 -2.072 8.042 -10.047 1.00 0.00 N ATOM 1455 CA ILE A 566 -2.782 8.275 -8.795 1.00 0.00 C ATOM 1456 C ILE A 566 -4.201 7.721 -8.856 1.00 0.00 C ATOM 1457 O ILE A 566 -4.692 7.136 -7.891 1.00 0.00 O ATOM 1458 CB ILE A 566 -2.843 9.776 -8.455 1.00 0.00 C ATOM 1459 CG1 ILE A 566 -3.528 9.986 -7.103 1.00 0.00 C ATOM 1460 CG2 ILE A 566 -3.575 10.538 -9.549 1.00 0.00 C ATOM 1461 CD1 ILE A 566 -2.877 9.224 -5.970 1.00 0.00 C ATOM 0 H ILE A 566 -1.622 8.870 -10.437 1.00 0.00 H new ATOM 0 HA ILE A 566 -2.226 7.756 -8.015 1.00 0.00 H new ATOM 0 HB ILE A 566 -1.825 10.161 -8.390 1.00 0.00 H new ATOM 0 HG12 ILE A 566 -3.524 11.050 -6.864 1.00 0.00 H new ATOM 0 HG13 ILE A 566 -4.572 9.681 -7.182 1.00 0.00 H new ATOM 0 HG21 ILE A 566 -3.610 11.597 -9.294 1.00 0.00 H new ATOM 0 HG22 ILE A 566 -3.050 10.410 -10.496 1.00 0.00 H new ATOM 0 HG23 ILE A 566 -4.591 10.154 -9.643 1.00 0.00 H new ATOM 0 HD11 ILE A 566 -3.415 9.421 -5.043 1.00 0.00 H new ATOM 0 HD12 ILE A 566 -2.905 8.156 -6.186 1.00 0.00 H new ATOM 0 HD13 ILE A 566 -1.841 9.546 -5.863 1.00 0.00 H new ATOM 1473 N ASN A 567 -4.855 7.907 -9.999 1.00 0.00 N ATOM 1474 CA ASN A 567 -6.218 7.424 -10.186 1.00 0.00 C ATOM 1475 C ASN A 567 -6.308 5.927 -9.904 1.00 0.00 C ATOM 1476 O ASN A 567 -7.156 5.482 -9.131 1.00 0.00 O ATOM 1477 CB ASN A 567 -6.692 7.715 -11.611 1.00 0.00 C ATOM 1478 CG ASN A 567 -6.870 9.199 -11.870 1.00 0.00 C ATOM 1479 OD1 ASN A 567 -6.179 9.782 -12.705 1.00 0.00 O ATOM 1480 ND2 ASN A 567 -7.800 9.817 -11.151 1.00 0.00 N ATOM 0 H ASN A 567 -4.463 8.388 -10.808 1.00 0.00 H new ATOM 0 HA ASN A 567 -6.863 7.948 -9.481 1.00 0.00 H new ATOM 0 HB2 ASN A 567 -5.971 7.309 -12.321 1.00 0.00 H new ATOM 0 HB3 ASN A 567 -7.637 7.202 -11.788 1.00 0.00 H new ATOM 0 HD21 ASN A 567 -7.965 10.815 -11.280 1.00 0.00 H new ATOM 0 HD22 ASN A 567 -8.350 9.293 -10.470 1.00 0.00 H new ATOM 1487 N GLU A 568 -5.428 5.157 -10.536 1.00 0.00 N ATOM 1488 CA GLU A 568 -5.409 3.710 -10.353 1.00 0.00 C ATOM 1489 C GLU A 568 -5.259 3.351 -8.878 1.00 0.00 C ATOM 1490 O GLU A 568 -6.028 2.555 -8.340 1.00 0.00 O ATOM 1491 CB GLU A 568 -4.269 3.086 -11.161 1.00 0.00 C ATOM 1492 CG GLU A 568 -4.204 1.572 -11.052 1.00 0.00 C ATOM 1493 CD GLU A 568 -5.521 0.905 -11.400 1.00 0.00 C ATOM 1494 OE1 GLU A 568 -6.126 1.287 -12.424 1.00 0.00 O ATOM 1495 OE2 GLU A 568 -5.947 0.003 -10.649 1.00 0.00 O ATOM 0 H GLU A 568 -4.719 5.510 -11.179 1.00 0.00 H new ATOM 0 HA GLU A 568 -6.358 3.311 -10.711 1.00 0.00 H new ATOM 0 HB2 GLU A 568 -4.384 3.362 -12.209 1.00 0.00 H new ATOM 0 HB3 GLU A 568 -3.322 3.507 -10.823 1.00 0.00 H new ATOM 0 HG2 GLU A 568 -3.425 1.197 -11.715 1.00 0.00 H new ATOM 0 HG3 GLU A 568 -3.919 1.296 -10.037 1.00 0.00 H new ATOM 1502 N MET A 569 -4.260 3.943 -8.230 1.00 0.00 N ATOM 1503 CA MET A 569 -4.008 3.685 -6.817 1.00 0.00 C ATOM 1504 C MET A 569 -5.280 3.873 -5.995 1.00 0.00 C ATOM 1505 O MET A 569 -5.651 3.008 -5.201 1.00 0.00 O ATOM 1506 CB MET A 569 -2.909 4.613 -6.296 1.00 0.00 C ATOM 1507 CG MET A 569 -1.600 4.493 -7.060 1.00 0.00 C ATOM 1508 SD MET A 569 -0.208 5.215 -6.171 1.00 0.00 S ATOM 1509 CE MET A 569 0.307 3.826 -5.164 1.00 0.00 C ATOM 0 H MET A 569 -3.613 4.604 -8.661 1.00 0.00 H new ATOM 0 HA MET A 569 -3.680 2.651 -6.715 1.00 0.00 H new ATOM 0 HB2 MET A 569 -3.259 5.644 -6.351 1.00 0.00 H new ATOM 0 HB3 MET A 569 -2.728 4.393 -5.244 1.00 0.00 H new ATOM 0 HG2 MET A 569 -1.394 3.441 -7.257 1.00 0.00 H new ATOM 0 HG3 MET A 569 -1.702 4.984 -8.028 1.00 0.00 H new ATOM 0 HE1 MET A 569 0.407 4.146 -4.127 1.00 0.00 H new ATOM 0 HE2 MET A 569 -0.438 3.033 -5.229 1.00 0.00 H new ATOM 0 HE3 MET A 569 1.266 3.452 -5.523 1.00 0.00 H new ATOM 1519 N HIS A 570 -5.943 5.008 -6.190 1.00 0.00 N ATOM 1520 CA HIS A 570 -7.174 5.309 -5.467 1.00 0.00 C ATOM 1521 C HIS A 570 -8.190 4.183 -5.631 1.00 0.00 C ATOM 1522 O HIS A 570 -8.790 3.727 -4.657 1.00 0.00 O ATOM 1523 CB HIS A 570 -7.771 6.627 -5.960 1.00 0.00 C ATOM 1524 CG HIS A 570 -9.194 6.834 -5.539 1.00 0.00 C ATOM 1525 ND1 HIS A 570 -10.091 7.589 -6.265 1.00 0.00 N ATOM 1526 CD2 HIS A 570 -9.873 6.379 -4.461 1.00 0.00 C ATOM 1527 CE1 HIS A 570 -11.260 7.590 -5.650 1.00 0.00 C ATOM 1528 NE2 HIS A 570 -11.155 6.863 -4.553 1.00 0.00 N ATOM 0 H HIS A 570 -5.649 5.735 -6.843 1.00 0.00 H new ATOM 0 HA HIS A 570 -6.931 5.403 -4.409 1.00 0.00 H new ATOM 0 HB2 HIS A 570 -7.166 7.453 -5.586 1.00 0.00 H new ATOM 0 HB3 HIS A 570 -7.714 6.658 -7.048 1.00 0.00 H new ATOM 0 HD2 HIS A 570 -9.480 5.752 -3.674 1.00 0.00 H new ATOM 0 HE1 HIS A 570 -12.151 8.099 -5.987 1.00 0.00 H new ATOM 0 HE2 HIS A 570 -11.904 6.689 -3.883 1.00 0.00 H new ATOM 1536 N LEU A 571 -8.378 3.739 -6.869 1.00 0.00 N ATOM 1537 CA LEU A 571 -9.322 2.666 -7.161 1.00 0.00 C ATOM 1538 C LEU A 571 -9.037 1.440 -6.301 1.00 0.00 C ATOM 1539 O LEU A 571 -9.947 0.856 -5.711 1.00 0.00 O ATOM 1540 CB LEU A 571 -9.255 2.291 -8.643 1.00 0.00 C ATOM 1541 CG LEU A 571 -9.719 3.363 -9.629 1.00 0.00 C ATOM 1542 CD1 LEU A 571 -9.351 2.975 -11.052 1.00 0.00 C ATOM 1543 CD2 LEU A 571 -11.219 3.588 -9.506 1.00 0.00 C ATOM 0 H LEU A 571 -7.890 4.105 -7.686 1.00 0.00 H new ATOM 0 HA LEU A 571 -10.325 3.024 -6.928 1.00 0.00 H new ATOM 0 HB2 LEU A 571 -8.226 2.026 -8.884 1.00 0.00 H new ATOM 0 HB3 LEU A 571 -9.859 1.397 -8.798 1.00 0.00 H new ATOM 0 HG LEU A 571 -9.211 4.296 -9.386 1.00 0.00 H new ATOM 0 HD11 LEU A 571 -9.689 3.750 -11.740 1.00 0.00 H new ATOM 0 HD12 LEU A 571 -8.269 2.867 -11.131 1.00 0.00 H new ATOM 0 HD13 LEU A 571 -9.830 2.030 -11.307 1.00 0.00 H new ATOM 0 HD21 LEU A 571 -11.531 4.354 -10.215 1.00 0.00 H new ATOM 0 HD22 LEU A 571 -11.745 2.658 -9.721 1.00 0.00 H new ATOM 0 HD23 LEU A 571 -11.456 3.913 -8.493 1.00 0.00 H new ATOM 1555 N LEU A 572 -7.767 1.054 -6.232 1.00 0.00 N ATOM 1556 CA LEU A 572 -7.361 -0.102 -5.441 1.00 0.00 C ATOM 1557 C LEU A 572 -7.818 0.041 -3.993 1.00 0.00 C ATOM 1558 O LEU A 572 -8.478 -0.846 -3.450 1.00 0.00 O ATOM 1559 CB LEU A 572 -5.841 -0.271 -5.493 1.00 0.00 C ATOM 1560 CG LEU A 572 -5.217 -0.300 -6.889 1.00 0.00 C ATOM 1561 CD1 LEU A 572 -3.699 -0.338 -6.794 1.00 0.00 C ATOM 1562 CD2 LEU A 572 -5.733 -1.493 -7.680 1.00 0.00 C ATOM 0 H LEU A 572 -7.001 1.525 -6.714 1.00 0.00 H new ATOM 0 HA LEU A 572 -7.835 -0.987 -5.866 1.00 0.00 H new ATOM 0 HB2 LEU A 572 -5.385 0.543 -4.930 1.00 0.00 H new ATOM 0 HB3 LEU A 572 -5.581 -1.197 -4.981 1.00 0.00 H new ATOM 0 HG LEU A 572 -5.506 0.611 -7.414 1.00 0.00 H new ATOM 0 HD11 LEU A 572 -3.272 -0.358 -7.797 1.00 0.00 H new ATOM 0 HD12 LEU A 572 -3.345 0.548 -6.267 1.00 0.00 H new ATOM 0 HD13 LEU A 572 -3.391 -1.231 -6.250 1.00 0.00 H new ATOM 0 HD21 LEU A 572 -5.278 -1.497 -8.671 1.00 0.00 H new ATOM 0 HD22 LEU A 572 -5.475 -2.415 -7.158 1.00 0.00 H new ATOM 0 HD23 LEU A 572 -6.816 -1.423 -7.779 1.00 0.00 H new ATOM 1574 N ILE A 573 -7.465 1.162 -3.374 1.00 0.00 N ATOM 1575 CA ILE A 573 -7.843 1.422 -1.990 1.00 0.00 C ATOM 1576 C ILE A 573 -9.337 1.206 -1.778 1.00 0.00 C ATOM 1577 O ILE A 573 -9.755 0.637 -0.770 1.00 0.00 O ATOM 1578 CB ILE A 573 -7.478 2.857 -1.567 1.00 0.00 C ATOM 1579 CG1 ILE A 573 -5.999 3.134 -1.847 1.00 0.00 C ATOM 1580 CG2 ILE A 573 -7.793 3.071 -0.094 1.00 0.00 C ATOM 1581 CD1 ILE A 573 -5.061 2.195 -1.122 1.00 0.00 C ATOM 0 H ILE A 573 -6.918 1.905 -3.809 1.00 0.00 H new ATOM 0 HA ILE A 573 -7.286 0.717 -1.373 1.00 0.00 H new ATOM 0 HB ILE A 573 -8.076 3.556 -2.152 1.00 0.00 H new ATOM 0 HG12 ILE A 573 -5.820 3.057 -2.919 1.00 0.00 H new ATOM 0 HG13 ILE A 573 -5.769 4.159 -1.558 1.00 0.00 H new ATOM 0 HG21 ILE A 573 -7.530 4.090 0.190 1.00 0.00 H new ATOM 0 HG22 ILE A 573 -8.857 2.910 0.078 1.00 0.00 H new ATOM 0 HG23 ILE A 573 -7.218 2.367 0.507 1.00 0.00 H new ATOM 0 HD11 ILE A 573 -4.030 2.450 -1.367 1.00 0.00 H new ATOM 0 HD12 ILE A 573 -5.212 2.288 -0.047 1.00 0.00 H new ATOM 0 HD13 ILE A 573 -5.264 1.169 -1.429 1.00 0.00 H new ATOM 1593 N GLN A 574 -10.137 1.662 -2.737 1.00 0.00 N ATOM 1594 CA GLN A 574 -11.586 1.518 -2.655 1.00 0.00 C ATOM 1595 C GLN A 574 -11.995 0.054 -2.784 1.00 0.00 C ATOM 1596 O GLN A 574 -12.987 -0.376 -2.197 1.00 0.00 O ATOM 1597 CB GLN A 574 -12.265 2.348 -3.746 1.00 0.00 C ATOM 1598 CG GLN A 574 -11.993 3.839 -3.634 1.00 0.00 C ATOM 1599 CD GLN A 574 -12.951 4.537 -2.689 1.00 0.00 C ATOM 1600 OE1 GLN A 574 -12.569 4.630 -1.420 1.00 0.00 O flip ATOM 1601 NE2 GLN A 574 -14.022 4.989 -3.094 1.00 0.00 N flip ATOM 0 H GLN A 574 -9.807 2.134 -3.579 1.00 0.00 H new ATOM 0 HA GLN A 574 -11.908 1.882 -1.679 1.00 0.00 H new ATOM 0 HB2 GLN A 574 -11.926 1.998 -4.721 1.00 0.00 H new ATOM 0 HB3 GLN A 574 -13.341 2.179 -3.703 1.00 0.00 H new ATOM 0 HG2 GLN A 574 -10.971 3.993 -3.288 1.00 0.00 H new ATOM 0 HG3 GLN A 574 -12.067 4.293 -4.622 1.00 0.00 H new ATOM 0 HE21 GLN A 574 -14.276 4.895 -4.077 1.00 0.00 H new ATOM 0 HE22 GLN A 574 -14.656 5.457 -2.446 1.00 0.00 H new ATOM 1610 N GLN A 575 -11.225 -0.704 -3.557 1.00 0.00 N ATOM 1611 CA GLN A 575 -11.509 -2.119 -3.764 1.00 0.00 C ATOM 1612 C GLN A 575 -11.243 -2.919 -2.493 1.00 0.00 C ATOM 1613 O GLN A 575 -11.860 -3.959 -2.262 1.00 0.00 O ATOM 1614 CB GLN A 575 -10.662 -2.669 -4.913 1.00 0.00 C ATOM 1615 CG GLN A 575 -11.075 -2.143 -6.279 1.00 0.00 C ATOM 1616 CD GLN A 575 -10.760 -3.116 -7.398 1.00 0.00 C ATOM 1617 OE1 GLN A 575 -11.660 -3.611 -8.077 1.00 0.00 O ATOM 1618 NE2 GLN A 575 -9.478 -3.396 -7.596 1.00 0.00 N ATOM 0 H GLN A 575 -10.400 -0.362 -4.050 1.00 0.00 H new ATOM 0 HA GLN A 575 -12.564 -2.218 -4.020 1.00 0.00 H new ATOM 0 HB2 GLN A 575 -9.617 -2.416 -4.736 1.00 0.00 H new ATOM 0 HB3 GLN A 575 -10.731 -3.757 -4.916 1.00 0.00 H new ATOM 0 HG2 GLN A 575 -12.145 -1.933 -6.275 1.00 0.00 H new ATOM 0 HG3 GLN A 575 -10.566 -1.198 -6.470 1.00 0.00 H new ATOM 0 HE21 GLN A 575 -8.765 -2.963 -7.009 1.00 0.00 H new ATOM 0 HE22 GLN A 575 -9.206 -4.044 -8.335 1.00 0.00 H new ATOM 1627 N ALA A 576 -10.320 -2.428 -1.673 1.00 0.00 N ATOM 1628 CA ALA A 576 -9.974 -3.096 -0.424 1.00 0.00 C ATOM 1629 C ALA A 576 -10.909 -2.673 0.703 1.00 0.00 C ATOM 1630 O ALA A 576 -11.135 -3.425 1.651 1.00 0.00 O ATOM 1631 CB ALA A 576 -8.528 -2.802 -0.052 1.00 0.00 C ATOM 0 H ALA A 576 -9.798 -1.570 -1.851 1.00 0.00 H new ATOM 0 HA ALA A 576 -10.089 -4.170 -0.571 1.00 0.00 H new ATOM 0 HB1 ALA A 576 -8.283 -3.307 0.882 1.00 0.00 H new ATOM 0 HB2 ALA A 576 -7.869 -3.161 -0.842 1.00 0.00 H new ATOM 0 HB3 ALA A 576 -8.395 -1.727 0.071 1.00 0.00 H new ATOM 1637 N ARG A 577 -11.450 -1.464 0.594 1.00 0.00 N ATOM 1638 CA ARG A 577 -12.360 -0.940 1.606 1.00 0.00 C ATOM 1639 C ARG A 577 -13.792 -1.391 1.334 1.00 0.00 C ATOM 1640 O ARG A 577 -14.512 -1.785 2.251 1.00 0.00 O ATOM 1641 CB ARG A 577 -12.293 0.588 1.640 1.00 0.00 C ATOM 1642 CG ARG A 577 -11.238 1.130 2.591 1.00 0.00 C ATOM 1643 CD ARG A 577 -11.493 2.590 2.933 1.00 0.00 C ATOM 1644 NE ARG A 577 -12.512 2.739 3.969 1.00 0.00 N ATOM 1645 CZ ARG A 577 -12.324 2.396 5.238 1.00 0.00 C ATOM 1646 NH1 ARG A 577 -11.163 1.888 5.627 1.00 0.00 N ATOM 1647 NH2 ARG A 577 -13.300 2.563 6.123 1.00 0.00 N ATOM 0 H ARG A 577 -11.274 -0.829 -0.185 1.00 0.00 H new ATOM 0 HA ARG A 577 -12.051 -1.332 2.575 1.00 0.00 H new ATOM 0 HB2 ARG A 577 -12.088 0.957 0.635 1.00 0.00 H new ATOM 0 HB3 ARG A 577 -13.268 0.980 1.931 1.00 0.00 H new ATOM 0 HG2 ARG A 577 -11.232 0.537 3.505 1.00 0.00 H new ATOM 0 HG3 ARG A 577 -10.252 1.028 2.138 1.00 0.00 H new ATOM 0 HD2 ARG A 577 -10.564 3.051 3.269 1.00 0.00 H new ATOM 0 HD3 ARG A 577 -11.807 3.123 2.036 1.00 0.00 H new ATOM 0 HE ARG A 577 -13.417 3.128 3.703 1.00 0.00 H new ATOM 0 HH11 ARG A 577 -10.410 1.759 4.951 1.00 0.00 H new ATOM 0 HH12 ARG A 577 -11.022 1.626 6.603 1.00 0.00 H new ATOM 0 HH21 ARG A 577 -14.194 2.955 5.828 1.00 0.00 H new ATOM 0 HH22 ARG A 577 -13.155 2.299 7.098 1.00 0.00 H new ATOM 1661 N GLU A 578 -14.198 -1.328 0.070 1.00 0.00 N ATOM 1662 CA GLU A 578 -15.544 -1.729 -0.320 1.00 0.00 C ATOM 1663 C GLU A 578 -15.947 -3.028 0.371 1.00 0.00 C ATOM 1664 O GLU A 578 -17.094 -3.193 0.785 1.00 0.00 O ATOM 1665 CB GLU A 578 -15.630 -1.898 -1.839 1.00 0.00 C ATOM 1666 CG GLU A 578 -14.894 -3.122 -2.357 1.00 0.00 C ATOM 1667 CD GLU A 578 -15.011 -3.280 -3.861 1.00 0.00 C ATOM 1668 OE1 GLU A 578 -15.065 -2.249 -4.562 1.00 0.00 O ATOM 1669 OE2 GLU A 578 -15.049 -4.435 -4.335 1.00 0.00 O ATOM 0 H GLU A 578 -13.614 -1.003 -0.701 1.00 0.00 H new ATOM 0 HA GLU A 578 -16.233 -0.944 -0.009 1.00 0.00 H new ATOM 0 HB2 GLU A 578 -16.678 -1.964 -2.130 1.00 0.00 H new ATOM 0 HB3 GLU A 578 -15.222 -1.009 -2.319 1.00 0.00 H new ATOM 0 HG2 GLU A 578 -13.841 -3.051 -2.084 1.00 0.00 H new ATOM 0 HG3 GLU A 578 -15.290 -4.013 -1.870 1.00 0.00 H new ATOM 1676 N MET A 579 -14.995 -3.948 0.491 1.00 0.00 N ATOM 1677 CA MET A 579 -15.251 -5.232 1.132 1.00 0.00 C ATOM 1678 C MET A 579 -15.177 -5.106 2.650 1.00 0.00 C ATOM 1679 O MET A 579 -14.346 -4.380 3.197 1.00 0.00 O ATOM 1680 CB MET A 579 -14.245 -6.278 0.646 1.00 0.00 C ATOM 1681 CG MET A 579 -12.798 -5.905 0.924 1.00 0.00 C ATOM 1682 SD MET A 579 -12.280 -6.332 2.597 1.00 0.00 S ATOM 1683 CE MET A 579 -12.397 -8.119 2.542 1.00 0.00 C ATOM 0 H MET A 579 -14.040 -3.828 0.153 1.00 0.00 H new ATOM 0 HA MET A 579 -16.257 -5.552 0.860 1.00 0.00 H new ATOM 0 HB2 MET A 579 -14.464 -7.232 1.126 1.00 0.00 H new ATOM 0 HB3 MET A 579 -14.374 -6.424 -0.426 1.00 0.00 H new ATOM 0 HG2 MET A 579 -12.152 -6.412 0.207 1.00 0.00 H new ATOM 0 HG3 MET A 579 -12.667 -4.834 0.769 1.00 0.00 H new ATOM 0 HE1 MET A 579 -13.012 -8.469 3.371 1.00 0.00 H new ATOM 0 HE2 MET A 579 -12.851 -8.425 1.599 1.00 0.00 H new ATOM 0 HE3 MET A 579 -11.400 -8.552 2.622 1.00 0.00 H new