USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=17 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= -5.75! C(o=-6.8!,f=-10!) USER MOD Set 1.2: A 574 GLN :FLIP amide:sc= -1.06 F(o=-7.9!,f=-6.8) USER MOD Set 2.1: A 520 THR OG1 : rot 97:sc= 1.24 USER MOD Set 2.2: A 565 GLN :FLIP amide:sc= -0.152 F(o=-0.79,f=1.1) USER MOD Single : A 504 THR OG1 : rot 24:sc= 0.0716 USER MOD Single : A 505 GLN : amide:sc= -0.423 X(o=-0.42,f=-0.54) USER MOD Single : A 506 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 508 THR OG1 : rot -162:sc= 1.34 USER MOD Single : A 511 GLN : amide:sc= -0.1 X(o=-0.1,f=-0.1) USER MOD Single : A 519 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 165:sc= -0.276 USER MOD Single : A 534 ASN : amide:sc= -0.02 X(o=-0.02,f=-0.02) USER MOD Single : A 535 HIS : no HD1:sc= -5.77! C(o=-5.8!,f=-7.9!) USER MOD Single : A 536 MET CE :methyl 178:sc= -0.886 (180deg=-0.906) USER MOD Single : A 537 MET CE :methyl -175:sc= -0.276 (180deg=-0.328) USER MOD Single : A 539 LYS NZ :NH3+ -166:sc= -1.68! (180deg=-1.82!) USER MOD Single : A 546 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 549 GLN : amide:sc= -0.0139 K(o=-0.014,f=-1.2) USER MOD Single : A 554 CYS SG : rot 14:sc= -1.39 USER MOD Single : A 555 CYS SG : rot -23:sc= 0.954 USER MOD Single : A 556 ASN : amide:sc= -0.659 X(o=-0.66,f=-1.2) USER MOD Single : A 564 GLN : amide:sc= 0.00012 X(o=0.00012,f=0) USER MOD Single : A 567 ASN : amide:sc= -0.0942 X(o=-0.094,f=-0.14) USER MOD Single : A 569 MET CE :methyl 155:sc= -0.0472 (180deg=-1.03) USER MOD Single : A 575 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 579 MET CE :methyl 176:sc= -3.95! (180deg=-3.98!) USER MOD ----------------------------------------------------------------- ATOM 445 N THR A 504 -7.384 -7.418 8.008 1.00 0.00 N ATOM 446 CA THR A 504 -8.138 -7.842 6.836 1.00 0.00 C ATOM 447 C THR A 504 -8.039 -6.812 5.716 1.00 0.00 C ATOM 448 O THR A 504 -7.350 -7.030 4.720 1.00 0.00 O ATOM 449 CB THR A 504 -9.623 -8.073 7.176 1.00 0.00 C ATOM 450 OG1 THR A 504 -9.741 -9.049 8.217 1.00 0.00 O ATOM 451 CG2 THR A 504 -10.393 -8.538 5.949 1.00 0.00 C ATOM 0 HA THR A 504 -7.699 -8.782 6.501 1.00 0.00 H new ATOM 0 HB THR A 504 -10.047 -7.128 7.515 1.00 0.00 H new ATOM 0 HG1 THR A 504 -8.908 -9.080 8.732 1.00 0.00 H new ATOM 0 HG21 THR A 504 -11.439 -8.695 6.213 1.00 0.00 H new ATOM 0 HG22 THR A 504 -10.326 -7.780 5.168 1.00 0.00 H new ATOM 0 HG23 THR A 504 -9.967 -9.473 5.585 1.00 0.00 H new ATOM 459 N GLN A 505 -8.732 -5.691 5.888 1.00 0.00 N ATOM 460 CA GLN A 505 -8.721 -4.627 4.890 1.00 0.00 C ATOM 461 C GLN A 505 -7.292 -4.229 4.534 1.00 0.00 C ATOM 462 O GLN A 505 -6.878 -4.338 3.381 1.00 0.00 O ATOM 463 CB GLN A 505 -9.489 -3.409 5.405 1.00 0.00 C ATOM 464 CG GLN A 505 -10.995 -3.520 5.230 1.00 0.00 C ATOM 465 CD GLN A 505 -11.719 -2.234 5.577 1.00 0.00 C ATOM 466 OE1 GLN A 505 -11.245 -1.441 6.392 1.00 0.00 O ATOM 467 NE2 GLN A 505 -12.875 -2.020 4.959 1.00 0.00 N ATOM 0 H GLN A 505 -9.307 -5.496 6.707 1.00 0.00 H new ATOM 0 HA GLN A 505 -9.209 -5.002 3.990 1.00 0.00 H new ATOM 0 HB2 GLN A 505 -9.264 -3.269 6.462 1.00 0.00 H new ATOM 0 HB3 GLN A 505 -9.136 -2.520 4.883 1.00 0.00 H new ATOM 0 HG2 GLN A 505 -11.218 -3.791 4.198 1.00 0.00 H new ATOM 0 HG3 GLN A 505 -11.372 -4.326 5.860 1.00 0.00 H new ATOM 0 HE21 GLN A 505 -13.230 -2.704 4.291 1.00 0.00 H new ATOM 0 HE22 GLN A 505 -13.407 -1.172 5.152 1.00 0.00 H new ATOM 476 N GLN A 506 -6.546 -3.768 5.532 1.00 0.00 N ATOM 477 CA GLN A 506 -5.163 -3.353 5.323 1.00 0.00 C ATOM 478 C GLN A 506 -4.437 -4.325 4.398 1.00 0.00 C ATOM 479 O GLN A 506 -3.686 -3.913 3.513 1.00 0.00 O ATOM 480 CB GLN A 506 -4.429 -3.258 6.661 1.00 0.00 C ATOM 481 CG GLN A 506 -5.091 -2.316 7.653 1.00 0.00 C ATOM 482 CD GLN A 506 -4.225 -2.044 8.867 1.00 0.00 C ATOM 483 OE1 GLN A 506 -3.565 -0.892 8.878 1.00 0.00 O flip ATOM 484 NE2 GLN A 506 -4.150 -2.861 9.786 1.00 0.00 N flip ATOM 0 H GLN A 506 -6.875 -3.672 6.493 1.00 0.00 H new ATOM 0 HA GLN A 506 -5.172 -2.370 4.852 1.00 0.00 H new ATOM 0 HB2 GLN A 506 -4.367 -4.252 7.103 1.00 0.00 H new ATOM 0 HB3 GLN A 506 -3.407 -2.924 6.482 1.00 0.00 H new ATOM 0 HG2 GLN A 506 -5.320 -1.373 7.156 1.00 0.00 H new ATOM 0 HG3 GLN A 506 -6.040 -2.744 7.977 1.00 0.00 H new ATOM 0 HE21 GLN A 506 -4.675 -3.734 9.736 1.00 0.00 H new ATOM 0 HE22 GLN A 506 -3.563 -2.664 10.597 1.00 0.00 H new ATOM 493 N LEU A 507 -4.666 -5.616 4.609 1.00 0.00 N ATOM 494 CA LEU A 507 -4.033 -6.648 3.795 1.00 0.00 C ATOM 495 C LEU A 507 -4.511 -6.570 2.349 1.00 0.00 C ATOM 496 O LEU A 507 -3.707 -6.494 1.420 1.00 0.00 O ATOM 497 CB LEU A 507 -4.332 -8.034 4.369 1.00 0.00 C ATOM 498 CG LEU A 507 -3.479 -8.465 5.563 1.00 0.00 C ATOM 499 CD1 LEU A 507 -4.152 -9.600 6.318 1.00 0.00 C ATOM 500 CD2 LEU A 507 -2.088 -8.879 5.102 1.00 0.00 C ATOM 0 H LEU A 507 -5.285 -5.973 5.337 1.00 0.00 H new ATOM 0 HA LEU A 507 -2.956 -6.480 3.812 1.00 0.00 H new ATOM 0 HB2 LEU A 507 -5.380 -8.063 4.667 1.00 0.00 H new ATOM 0 HB3 LEU A 507 -4.206 -8.769 3.574 1.00 0.00 H new ATOM 0 HG LEU A 507 -3.379 -7.616 6.239 1.00 0.00 H new ATOM 0 HD11 LEU A 507 -3.530 -9.893 7.164 1.00 0.00 H new ATOM 0 HD12 LEU A 507 -5.125 -9.269 6.680 1.00 0.00 H new ATOM 0 HD13 LEU A 507 -4.283 -10.453 5.652 1.00 0.00 H new ATOM 0 HD21 LEU A 507 -1.494 -9.183 5.964 1.00 0.00 H new ATOM 0 HD22 LEU A 507 -2.169 -9.713 4.405 1.00 0.00 H new ATOM 0 HD23 LEU A 507 -1.604 -8.038 4.606 1.00 0.00 H new ATOM 512 N THR A 508 -5.828 -6.588 2.165 1.00 0.00 N ATOM 513 CA THR A 508 -6.414 -6.518 0.832 1.00 0.00 C ATOM 514 C THR A 508 -5.770 -5.412 0.005 1.00 0.00 C ATOM 515 O THR A 508 -5.421 -5.616 -1.157 1.00 0.00 O ATOM 516 CB THR A 508 -7.934 -6.274 0.899 1.00 0.00 C ATOM 517 OG1 THR A 508 -8.533 -7.171 1.841 1.00 0.00 O ATOM 518 CG2 THR A 508 -8.573 -6.464 -0.468 1.00 0.00 C ATOM 0 H THR A 508 -6.508 -6.650 2.922 1.00 0.00 H new ATOM 0 HA THR A 508 -6.228 -7.480 0.354 1.00 0.00 H new ATOM 0 HB THR A 508 -8.101 -5.246 1.221 1.00 0.00 H new ATOM 0 HG1 THR A 508 -9.499 -7.215 1.682 1.00 0.00 H new ATOM 0 HG21 THR A 508 -9.646 -6.287 -0.396 1.00 0.00 H new ATOM 0 HG22 THR A 508 -8.135 -5.759 -1.175 1.00 0.00 H new ATOM 0 HG23 THR A 508 -8.396 -7.482 -0.814 1.00 0.00 H new ATOM 526 N ALA A 509 -5.613 -4.240 0.612 1.00 0.00 N ATOM 527 CA ALA A 509 -5.007 -3.102 -0.069 1.00 0.00 C ATOM 528 C ALA A 509 -3.534 -3.361 -0.366 1.00 0.00 C ATOM 529 O ALA A 509 -3.069 -3.143 -1.485 1.00 0.00 O ATOM 530 CB ALA A 509 -5.164 -1.842 0.769 1.00 0.00 C ATOM 0 H ALA A 509 -5.897 -4.054 1.574 1.00 0.00 H new ATOM 0 HA ALA A 509 -5.523 -2.961 -1.019 1.00 0.00 H new ATOM 0 HB1 ALA A 509 -4.707 -1.000 0.249 1.00 0.00 H new ATOM 0 HB2 ALA A 509 -6.223 -1.640 0.927 1.00 0.00 H new ATOM 0 HB3 ALA A 509 -4.674 -1.982 1.732 1.00 0.00 H new ATOM 536 N PHE A 510 -2.805 -3.828 0.642 1.00 0.00 N ATOM 537 CA PHE A 510 -1.383 -4.116 0.488 1.00 0.00 C ATOM 538 C PHE A 510 -1.135 -4.991 -0.737 1.00 0.00 C ATOM 539 O PHE A 510 -0.215 -4.739 -1.516 1.00 0.00 O ATOM 540 CB PHE A 510 -0.843 -4.808 1.741 1.00 0.00 C ATOM 541 CG PHE A 510 0.604 -5.198 1.633 1.00 0.00 C ATOM 542 CD1 PHE A 510 1.587 -4.231 1.495 1.00 0.00 C ATOM 543 CD2 PHE A 510 0.980 -6.531 1.672 1.00 0.00 C ATOM 544 CE1 PHE A 510 2.919 -4.587 1.395 1.00 0.00 C ATOM 545 CE2 PHE A 510 2.311 -6.893 1.573 1.00 0.00 C ATOM 546 CZ PHE A 510 3.281 -5.920 1.435 1.00 0.00 C ATOM 0 H PHE A 510 -3.175 -4.015 1.574 1.00 0.00 H new ATOM 0 HA PHE A 510 -0.859 -3.170 0.349 1.00 0.00 H new ATOM 0 HB2 PHE A 510 -0.969 -4.144 2.596 1.00 0.00 H new ATOM 0 HB3 PHE A 510 -1.438 -5.700 1.939 1.00 0.00 H new ATOM 0 HD1 PHE A 510 1.309 -3.188 1.465 1.00 0.00 H new ATOM 0 HD2 PHE A 510 0.225 -7.296 1.781 1.00 0.00 H new ATOM 0 HE1 PHE A 510 3.676 -3.824 1.286 1.00 0.00 H new ATOM 0 HE2 PHE A 510 2.591 -7.936 1.604 1.00 0.00 H new ATOM 0 HZ PHE A 510 4.321 -6.200 1.358 1.00 0.00 H new ATOM 556 N GLN A 511 -1.961 -6.019 -0.900 1.00 0.00 N ATOM 557 CA GLN A 511 -1.830 -6.932 -2.029 1.00 0.00 C ATOM 558 C GLN A 511 -2.111 -6.214 -3.345 1.00 0.00 C ATOM 559 O GLN A 511 -1.306 -6.266 -4.277 1.00 0.00 O ATOM 560 CB GLN A 511 -2.784 -8.117 -1.868 1.00 0.00 C ATOM 561 CG GLN A 511 -2.319 -9.136 -0.840 1.00 0.00 C ATOM 562 CD GLN A 511 -1.051 -9.853 -1.260 1.00 0.00 C ATOM 563 OE1 GLN A 511 0.024 -9.611 -0.711 1.00 0.00 O ATOM 564 NE2 GLN A 511 -1.170 -10.741 -2.240 1.00 0.00 N ATOM 0 H GLN A 511 -2.728 -6.241 -0.265 1.00 0.00 H new ATOM 0 HA GLN A 511 -0.804 -7.300 -2.048 1.00 0.00 H new ATOM 0 HB2 GLN A 511 -3.767 -7.745 -1.580 1.00 0.00 H new ATOM 0 HB3 GLN A 511 -2.901 -8.613 -2.832 1.00 0.00 H new ATOM 0 HG2 GLN A 511 -2.149 -8.634 0.112 1.00 0.00 H new ATOM 0 HG3 GLN A 511 -3.109 -9.869 -0.678 1.00 0.00 H new ATOM 0 HE21 GLN A 511 -2.081 -10.910 -2.667 1.00 0.00 H new ATOM 0 HE22 GLN A 511 -0.351 -11.254 -2.566 1.00 0.00 H new ATOM 573 N LEU A 512 -3.256 -5.545 -3.416 1.00 0.00 N ATOM 574 CA LEU A 512 -3.644 -4.816 -4.618 1.00 0.00 C ATOM 575 C LEU A 512 -2.496 -3.946 -5.122 1.00 0.00 C ATOM 576 O LEU A 512 -2.158 -3.970 -6.306 1.00 0.00 O ATOM 577 CB LEU A 512 -4.872 -3.947 -4.338 1.00 0.00 C ATOM 578 CG LEU A 512 -6.189 -4.695 -4.131 1.00 0.00 C ATOM 579 CD1 LEU A 512 -7.264 -3.750 -3.617 1.00 0.00 C ATOM 580 CD2 LEU A 512 -6.635 -5.359 -5.426 1.00 0.00 C ATOM 0 H LEU A 512 -3.933 -5.492 -2.655 1.00 0.00 H new ATOM 0 HA LEU A 512 -3.890 -5.544 -5.391 1.00 0.00 H new ATOM 0 HB2 LEU A 512 -4.674 -3.348 -3.449 1.00 0.00 H new ATOM 0 HB3 LEU A 512 -4.998 -3.253 -5.169 1.00 0.00 H new ATOM 0 HG LEU A 512 -6.030 -5.472 -3.384 1.00 0.00 H new ATOM 0 HD11 LEU A 512 -8.194 -4.300 -3.476 1.00 0.00 H new ATOM 0 HD12 LEU A 512 -6.947 -3.322 -2.666 1.00 0.00 H new ATOM 0 HD13 LEU A 512 -7.422 -2.950 -4.341 1.00 0.00 H new ATOM 0 HD21 LEU A 512 -7.574 -5.887 -5.260 1.00 0.00 H new ATOM 0 HD22 LEU A 512 -6.777 -4.599 -6.194 1.00 0.00 H new ATOM 0 HD23 LEU A 512 -5.874 -6.067 -5.753 1.00 0.00 H new ATOM 592 N LEU A 513 -1.898 -3.182 -4.215 1.00 0.00 N ATOM 593 CA LEU A 513 -0.786 -2.306 -4.566 1.00 0.00 C ATOM 594 C LEU A 513 0.387 -3.110 -5.118 1.00 0.00 C ATOM 595 O LEU A 513 0.974 -2.750 -6.139 1.00 0.00 O ATOM 596 CB LEU A 513 -0.338 -1.502 -3.344 1.00 0.00 C ATOM 597 CG LEU A 513 -1.311 -0.430 -2.852 1.00 0.00 C ATOM 598 CD1 LEU A 513 -0.864 0.119 -1.506 1.00 0.00 C ATOM 599 CD2 LEU A 513 -1.430 0.691 -3.874 1.00 0.00 C ATOM 0 H LEU A 513 -2.164 -3.151 -3.231 1.00 0.00 H new ATOM 0 HA LEU A 513 -1.128 -1.618 -5.340 1.00 0.00 H new ATOM 0 HB2 LEU A 513 -0.150 -2.197 -2.526 1.00 0.00 H new ATOM 0 HB3 LEU A 513 0.612 -1.022 -3.578 1.00 0.00 H new ATOM 0 HG LEU A 513 -2.293 -0.887 -2.727 1.00 0.00 H new ATOM 0 HD11 LEU A 513 -1.568 0.881 -1.172 1.00 0.00 H new ATOM 0 HD12 LEU A 513 -0.831 -0.690 -0.776 1.00 0.00 H new ATOM 0 HD13 LEU A 513 0.128 0.560 -1.604 1.00 0.00 H new ATOM 0 HD21 LEU A 513 -2.126 1.445 -3.507 1.00 0.00 H new ATOM 0 HD22 LEU A 513 -0.452 1.146 -4.031 1.00 0.00 H new ATOM 0 HD23 LEU A 513 -1.797 0.286 -4.817 1.00 0.00 H new ATOM 611 N PHE A 514 0.722 -4.201 -4.438 1.00 0.00 N ATOM 612 CA PHE A 514 1.824 -5.057 -4.861 1.00 0.00 C ATOM 613 C PHE A 514 1.712 -5.395 -6.345 1.00 0.00 C ATOM 614 O PHE A 514 2.683 -5.283 -7.092 1.00 0.00 O ATOM 615 CB PHE A 514 1.844 -6.344 -4.034 1.00 0.00 C ATOM 616 CG PHE A 514 3.090 -7.161 -4.226 1.00 0.00 C ATOM 617 CD1 PHE A 514 4.310 -6.710 -3.750 1.00 0.00 C ATOM 618 CD2 PHE A 514 3.040 -8.380 -4.883 1.00 0.00 C ATOM 619 CE1 PHE A 514 5.458 -7.460 -3.927 1.00 0.00 C ATOM 620 CE2 PHE A 514 4.184 -9.135 -5.062 1.00 0.00 C ATOM 621 CZ PHE A 514 5.395 -8.674 -4.582 1.00 0.00 C ATOM 0 H PHE A 514 0.246 -4.513 -3.592 1.00 0.00 H new ATOM 0 HA PHE A 514 2.755 -4.514 -4.699 1.00 0.00 H new ATOM 0 HB2 PHE A 514 1.745 -6.090 -2.979 1.00 0.00 H new ATOM 0 HB3 PHE A 514 0.977 -6.950 -4.299 1.00 0.00 H new ATOM 0 HD1 PHE A 514 4.365 -5.762 -3.235 1.00 0.00 H new ATOM 0 HD2 PHE A 514 2.096 -8.745 -5.260 1.00 0.00 H new ATOM 0 HE1 PHE A 514 6.404 -7.096 -3.553 1.00 0.00 H new ATOM 0 HE2 PHE A 514 4.131 -10.083 -5.576 1.00 0.00 H new ATOM 0 HZ PHE A 514 6.290 -9.262 -4.719 1.00 0.00 H new ATOM 631 N ALA A 515 0.521 -5.809 -6.763 1.00 0.00 N ATOM 632 CA ALA A 515 0.280 -6.161 -8.157 1.00 0.00 C ATOM 633 C ALA A 515 0.508 -4.964 -9.073 1.00 0.00 C ATOM 634 O ALA A 515 1.254 -5.050 -10.048 1.00 0.00 O ATOM 635 CB ALA A 515 -1.133 -6.699 -8.329 1.00 0.00 C ATOM 0 H ALA A 515 -0.293 -5.909 -6.156 1.00 0.00 H new ATOM 0 HA ALA A 515 0.990 -6.939 -8.437 1.00 0.00 H new ATOM 0 HB1 ALA A 515 -1.299 -6.958 -9.375 1.00 0.00 H new ATOM 0 HB2 ALA A 515 -1.262 -7.587 -7.711 1.00 0.00 H new ATOM 0 HB3 ALA A 515 -1.852 -5.938 -8.025 1.00 0.00 H new ATOM 641 N TRP A 516 -0.139 -3.849 -8.753 1.00 0.00 N ATOM 642 CA TRP A 516 -0.007 -2.634 -9.549 1.00 0.00 C ATOM 643 C TRP A 516 1.459 -2.257 -9.727 1.00 0.00 C ATOM 644 O TRP A 516 1.881 -1.867 -10.816 1.00 0.00 O ATOM 645 CB TRP A 516 -0.767 -1.482 -8.888 1.00 0.00 C ATOM 646 CG TRP A 516 -0.498 -0.152 -9.524 1.00 0.00 C ATOM 647 CD1 TRP A 516 -1.100 0.360 -10.638 1.00 0.00 C ATOM 648 CD2 TRP A 516 0.442 0.834 -9.085 1.00 0.00 C ATOM 649 NE1 TRP A 516 -0.590 1.605 -10.918 1.00 0.00 N ATOM 650 CE2 TRP A 516 0.357 1.919 -9.979 1.00 0.00 C ATOM 651 CE3 TRP A 516 1.346 0.907 -8.022 1.00 0.00 C ATOM 652 CZ2 TRP A 516 1.142 3.060 -9.842 1.00 0.00 C ATOM 653 CZ3 TRP A 516 2.126 2.040 -7.887 1.00 0.00 C ATOM 654 CH2 TRP A 516 2.019 3.105 -8.792 1.00 0.00 C ATOM 0 H TRP A 516 -0.760 -3.761 -7.949 1.00 0.00 H new ATOM 0 HA TRP A 516 -0.435 -2.825 -10.533 1.00 0.00 H new ATOM 0 HB2 TRP A 516 -1.836 -1.689 -8.933 1.00 0.00 H new ATOM 0 HB3 TRP A 516 -0.495 -1.434 -7.834 1.00 0.00 H new ATOM 0 HD1 TRP A 516 -1.864 -0.140 -11.214 1.00 0.00 H new ATOM 0 HE1 TRP A 516 -0.871 2.199 -11.698 1.00 0.00 H new ATOM 0 HE3 TRP A 516 1.434 0.092 -7.318 1.00 0.00 H new ATOM 0 HZ2 TRP A 516 1.062 3.881 -10.539 1.00 0.00 H new ATOM 0 HZ3 TRP A 516 2.830 2.106 -7.070 1.00 0.00 H new ATOM 0 HH2 TRP A 516 2.641 3.978 -8.658 1.00 0.00 H new ATOM 665 N ARG A 517 2.231 -2.375 -8.652 1.00 0.00 N ATOM 666 CA ARG A 517 3.651 -2.045 -8.690 1.00 0.00 C ATOM 667 C ARG A 517 4.375 -2.880 -9.743 1.00 0.00 C ATOM 668 O ARG A 517 4.977 -2.340 -10.671 1.00 0.00 O ATOM 669 CB ARG A 517 4.286 -2.272 -7.318 1.00 0.00 C ATOM 670 CG ARG A 517 5.803 -2.175 -7.325 1.00 0.00 C ATOM 671 CD ARG A 517 6.341 -1.755 -5.966 1.00 0.00 C ATOM 672 NE ARG A 517 7.764 -2.053 -5.825 1.00 0.00 N ATOM 673 CZ ARG A 517 8.234 -3.238 -5.450 1.00 0.00 C ATOM 674 NH1 ARG A 517 7.397 -4.231 -5.181 1.00 0.00 N ATOM 675 NH2 ARG A 517 9.542 -3.431 -5.345 1.00 0.00 N ATOM 0 H ARG A 517 1.897 -2.697 -7.743 1.00 0.00 H new ATOM 0 HA ARG A 517 3.747 -0.993 -8.957 1.00 0.00 H new ATOM 0 HB2 ARG A 517 3.887 -1.539 -6.617 1.00 0.00 H new ATOM 0 HB3 ARG A 517 3.995 -3.256 -6.951 1.00 0.00 H new ATOM 0 HG2 ARG A 517 6.229 -3.139 -7.604 1.00 0.00 H new ATOM 0 HG3 ARG A 517 6.119 -1.456 -8.081 1.00 0.00 H new ATOM 0 HD2 ARG A 517 6.179 -0.686 -5.826 1.00 0.00 H new ATOM 0 HD3 ARG A 517 5.784 -2.267 -5.181 1.00 0.00 H new ATOM 0 HE ARG A 517 8.434 -1.310 -6.025 1.00 0.00 H new ATOM 0 HH11 ARG A 517 6.391 -4.086 -5.262 1.00 0.00 H new ATOM 0 HH12 ARG A 517 7.760 -5.140 -4.893 1.00 0.00 H new ATOM 0 HH21 ARG A 517 10.188 -2.669 -5.552 1.00 0.00 H new ATOM 0 HH22 ARG A 517 9.902 -4.341 -5.057 1.00 0.00 H new ATOM 689 N ASP A 518 4.312 -4.198 -9.591 1.00 0.00 N ATOM 690 CA ASP A 518 4.961 -5.107 -10.528 1.00 0.00 C ATOM 691 C ASP A 518 4.518 -4.820 -11.959 1.00 0.00 C ATOM 692 O ASP A 518 5.344 -4.701 -12.864 1.00 0.00 O ATOM 693 CB ASP A 518 4.644 -6.559 -10.165 1.00 0.00 C ATOM 694 CG ASP A 518 4.909 -7.514 -11.312 1.00 0.00 C ATOM 695 OD1 ASP A 518 5.873 -7.278 -12.070 1.00 0.00 O ATOM 696 OD2 ASP A 518 4.153 -8.498 -11.451 1.00 0.00 O ATOM 0 H ASP A 518 3.818 -4.661 -8.828 1.00 0.00 H new ATOM 0 HA ASP A 518 6.038 -4.950 -10.462 1.00 0.00 H new ATOM 0 HB2 ASP A 518 5.244 -6.854 -9.304 1.00 0.00 H new ATOM 0 HB3 ASP A 518 3.599 -6.636 -9.866 1.00 0.00 H new ATOM 701 N LYS A 519 3.209 -4.710 -12.157 1.00 0.00 N ATOM 702 CA LYS A 519 2.655 -4.437 -13.478 1.00 0.00 C ATOM 703 C LYS A 519 3.223 -3.141 -14.049 1.00 0.00 C ATOM 704 O LYS A 519 3.927 -3.152 -15.059 1.00 0.00 O ATOM 705 CB LYS A 519 1.129 -4.348 -13.405 1.00 0.00 C ATOM 706 CG LYS A 519 0.485 -3.871 -14.695 1.00 0.00 C ATOM 707 CD LYS A 519 -0.808 -3.118 -14.428 1.00 0.00 C ATOM 708 CE LYS A 519 -0.537 -1.707 -13.928 1.00 0.00 C ATOM 709 NZ LYS A 519 -1.732 -0.829 -14.071 1.00 0.00 N ATOM 0 H LYS A 519 2.511 -4.806 -11.419 1.00 0.00 H new ATOM 0 HA LYS A 519 2.934 -5.258 -14.138 1.00 0.00 H new ATOM 0 HB2 LYS A 519 0.728 -5.329 -13.150 1.00 0.00 H new ATOM 0 HB3 LYS A 519 0.851 -3.670 -12.598 1.00 0.00 H new ATOM 0 HG2 LYS A 519 1.179 -3.225 -15.232 1.00 0.00 H new ATOM 0 HG3 LYS A 519 0.282 -4.726 -15.340 1.00 0.00 H new ATOM 0 HD2 LYS A 519 -1.400 -3.074 -15.342 1.00 0.00 H new ATOM 0 HD3 LYS A 519 -1.400 -3.659 -13.690 1.00 0.00 H new ATOM 0 HE2 LYS A 519 -0.237 -1.744 -12.881 1.00 0.00 H new ATOM 0 HE3 LYS A 519 0.297 -1.279 -14.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 519 -1.507 0.124 -13.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 519 -2.004 -0.773 -15.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 519 -2.521 -1.224 -13.520 1.00 0.00 H new ATOM 723 N THR A 520 2.914 -2.026 -13.394 1.00 0.00 N ATOM 724 CA THR A 520 3.394 -0.723 -13.836 1.00 0.00 C ATOM 725 C THR A 520 4.903 -0.738 -14.056 1.00 0.00 C ATOM 726 O THR A 520 5.408 -0.135 -15.002 1.00 0.00 O ATOM 727 CB THR A 520 3.046 0.379 -12.818 1.00 0.00 C ATOM 728 OG1 THR A 520 1.702 0.210 -12.354 1.00 0.00 O ATOM 729 CG2 THR A 520 3.203 1.759 -13.439 1.00 0.00 C ATOM 0 H THR A 520 2.334 -2.000 -12.556 1.00 0.00 H new ATOM 0 HA THR A 520 2.894 -0.506 -14.780 1.00 0.00 H new ATOM 0 HB THR A 520 3.734 0.296 -11.977 1.00 0.00 H new ATOM 0 HG1 THR A 520 1.708 -0.278 -11.504 1.00 0.00 H new ATOM 0 HG21 THR A 520 2.952 2.521 -12.701 1.00 0.00 H new ATOM 0 HG22 THR A 520 4.234 1.896 -13.765 1.00 0.00 H new ATOM 0 HG23 THR A 520 2.536 1.850 -14.296 1.00 0.00 H new ATOM 737 N ALA A 521 5.617 -1.432 -13.175 1.00 0.00 N ATOM 738 CA ALA A 521 7.068 -1.527 -13.275 1.00 0.00 C ATOM 739 C ALA A 521 7.495 -1.956 -14.675 1.00 0.00 C ATOM 740 O ALA A 521 8.444 -1.411 -15.239 1.00 0.00 O ATOM 741 CB ALA A 521 7.605 -2.500 -12.236 1.00 0.00 C ATOM 0 H ALA A 521 5.214 -1.936 -12.385 1.00 0.00 H new ATOM 0 HA ALA A 521 7.487 -0.539 -13.083 1.00 0.00 H new ATOM 0 HB1 ALA A 521 8.690 -2.562 -12.322 1.00 0.00 H new ATOM 0 HB2 ALA A 521 7.339 -2.150 -11.238 1.00 0.00 H new ATOM 0 HB3 ALA A 521 7.171 -3.486 -12.403 1.00 0.00 H new ATOM 747 N ARG A 522 6.789 -2.936 -15.229 1.00 0.00 N ATOM 748 CA ARG A 522 7.097 -3.439 -16.563 1.00 0.00 C ATOM 749 C ARG A 522 6.846 -2.367 -17.619 1.00 0.00 C ATOM 750 O ARG A 522 7.754 -1.987 -18.359 1.00 0.00 O ATOM 751 CB ARG A 522 6.257 -4.680 -16.870 1.00 0.00 C ATOM 752 CG ARG A 522 6.896 -5.613 -17.885 1.00 0.00 C ATOM 753 CD ARG A 522 6.142 -6.930 -17.984 1.00 0.00 C ATOM 754 NE ARG A 522 6.591 -7.733 -19.118 1.00 0.00 N ATOM 755 CZ ARG A 522 6.181 -8.977 -19.345 1.00 0.00 C ATOM 756 NH1 ARG A 522 5.319 -9.555 -18.521 1.00 0.00 N ATOM 757 NH2 ARG A 522 6.635 -9.644 -20.398 1.00 0.00 N ATOM 0 H ARG A 522 6.000 -3.397 -14.776 1.00 0.00 H new ATOM 0 HA ARG A 522 8.153 -3.709 -16.588 1.00 0.00 H new ATOM 0 HB2 ARG A 522 6.083 -5.229 -15.944 1.00 0.00 H new ATOM 0 HB3 ARG A 522 5.282 -4.365 -17.242 1.00 0.00 H new ATOM 0 HG2 ARG A 522 6.917 -5.130 -18.862 1.00 0.00 H new ATOM 0 HG3 ARG A 522 7.931 -5.806 -17.603 1.00 0.00 H new ATOM 0 HD2 ARG A 522 6.278 -7.496 -17.062 1.00 0.00 H new ATOM 0 HD3 ARG A 522 5.075 -6.730 -18.081 1.00 0.00 H new ATOM 0 HE ARG A 522 7.255 -7.317 -19.771 1.00 0.00 H new ATOM 0 HH11 ARG A 522 4.968 -9.045 -17.710 1.00 0.00 H new ATOM 0 HH12 ARG A 522 5.006 -10.510 -18.698 1.00 0.00 H new ATOM 0 HH21 ARG A 522 7.299 -9.202 -21.034 1.00 0.00 H new ATOM 0 HH22 ARG A 522 6.320 -10.598 -20.572 1.00 0.00 H new ATOM 771 N ARG A 523 5.610 -1.885 -17.684 1.00 0.00 N ATOM 772 CA ARG A 523 5.239 -0.859 -18.651 1.00 0.00 C ATOM 773 C ARG A 523 6.191 0.331 -18.573 1.00 0.00 C ATOM 774 O ARG A 523 6.567 0.905 -19.595 1.00 0.00 O ATOM 775 CB ARG A 523 3.803 -0.393 -18.407 1.00 0.00 C ATOM 776 CG ARG A 523 3.128 0.175 -19.645 1.00 0.00 C ATOM 777 CD ARG A 523 2.513 -0.923 -20.498 1.00 0.00 C ATOM 778 NE ARG A 523 2.371 -0.517 -21.893 1.00 0.00 N ATOM 779 CZ ARG A 523 1.544 -1.107 -22.750 1.00 0.00 C ATOM 780 NH1 ARG A 523 0.790 -2.124 -22.355 1.00 0.00 N ATOM 781 NH2 ARG A 523 1.471 -0.681 -24.004 1.00 0.00 N ATOM 0 H ARG A 523 4.848 -2.189 -17.078 1.00 0.00 H new ATOM 0 HA ARG A 523 5.308 -1.294 -19.648 1.00 0.00 H new ATOM 0 HB2 ARG A 523 3.216 -1.233 -18.036 1.00 0.00 H new ATOM 0 HB3 ARG A 523 3.804 0.365 -17.624 1.00 0.00 H new ATOM 0 HG2 ARG A 523 2.354 0.882 -19.347 1.00 0.00 H new ATOM 0 HG3 ARG A 523 3.857 0.731 -20.235 1.00 0.00 H new ATOM 0 HD2 ARG A 523 3.135 -1.817 -20.442 1.00 0.00 H new ATOM 0 HD3 ARG A 523 1.535 -1.189 -20.097 1.00 0.00 H new ATOM 0 HE ARG A 523 2.937 0.262 -22.228 1.00 0.00 H new ATOM 0 HH11 ARG A 523 0.844 -2.455 -21.392 1.00 0.00 H new ATOM 0 HH12 ARG A 523 0.156 -2.575 -23.014 1.00 0.00 H new ATOM 0 HH21 ARG A 523 2.050 0.100 -24.312 1.00 0.00 H new ATOM 0 HH22 ARG A 523 0.836 -1.135 -24.661 1.00 0.00 H new ATOM 795 N GLU A 524 6.577 0.694 -17.354 1.00 0.00 N ATOM 796 CA GLU A 524 7.484 1.817 -17.144 1.00 0.00 C ATOM 797 C GLU A 524 8.922 1.423 -17.473 1.00 0.00 C ATOM 798 O GLU A 524 9.745 2.271 -17.819 1.00 0.00 O ATOM 799 CB GLU A 524 7.397 2.308 -15.697 1.00 0.00 C ATOM 800 CG GLU A 524 6.310 3.345 -15.472 1.00 0.00 C ATOM 801 CD GLU A 524 6.453 4.548 -16.384 1.00 0.00 C ATOM 802 OE1 GLU A 524 7.591 4.841 -16.807 1.00 0.00 O ATOM 803 OE2 GLU A 524 5.427 5.197 -16.675 1.00 0.00 O ATOM 0 H GLU A 524 6.277 0.228 -16.498 1.00 0.00 H new ATOM 0 HA GLU A 524 7.184 2.624 -17.813 1.00 0.00 H new ATOM 0 HB2 GLU A 524 7.215 1.455 -15.043 1.00 0.00 H new ATOM 0 HB3 GLU A 524 8.358 2.733 -15.408 1.00 0.00 H new ATOM 0 HG2 GLU A 524 5.335 2.885 -15.634 1.00 0.00 H new ATOM 0 HG3 GLU A 524 6.338 3.676 -14.434 1.00 0.00 H new ATOM 810 N ASP A 525 9.215 0.132 -17.362 1.00 0.00 N ATOM 811 CA ASP A 525 10.553 -0.375 -17.648 1.00 0.00 C ATOM 812 C ASP A 525 11.582 0.248 -16.709 1.00 0.00 C ATOM 813 O ASP A 525 12.651 0.677 -17.143 1.00 0.00 O ATOM 814 CB ASP A 525 10.930 -0.087 -19.102 1.00 0.00 C ATOM 815 CG ASP A 525 9.882 -0.580 -20.080 1.00 0.00 C ATOM 816 OD1 ASP A 525 9.540 -1.780 -20.028 1.00 0.00 O ATOM 817 OD2 ASP A 525 9.405 0.234 -20.898 1.00 0.00 O ATOM 0 H ASP A 525 8.545 -0.582 -17.076 1.00 0.00 H new ATOM 0 HA ASP A 525 10.549 -1.453 -17.489 1.00 0.00 H new ATOM 0 HB2 ASP A 525 11.068 0.986 -19.233 1.00 0.00 H new ATOM 0 HB3 ASP A 525 11.885 -0.561 -19.328 1.00 0.00 H new ATOM 822 N GLU A 526 11.251 0.294 -15.423 1.00 0.00 N ATOM 823 CA GLU A 526 12.146 0.866 -14.424 1.00 0.00 C ATOM 824 C GLU A 526 12.301 -0.072 -13.230 1.00 0.00 C ATOM 825 O GLU A 526 11.617 -1.092 -13.136 1.00 0.00 O ATOM 826 CB GLU A 526 11.622 2.225 -13.955 1.00 0.00 C ATOM 827 CG GLU A 526 12.063 3.384 -14.833 1.00 0.00 C ATOM 828 CD GLU A 526 11.131 4.576 -14.736 1.00 0.00 C ATOM 829 OE1 GLU A 526 10.402 4.678 -13.728 1.00 0.00 O ATOM 830 OE2 GLU A 526 11.132 5.407 -15.668 1.00 0.00 O ATOM 0 H GLU A 526 10.370 -0.058 -15.048 1.00 0.00 H new ATOM 0 HA GLU A 526 13.124 1.002 -14.886 1.00 0.00 H new ATOM 0 HB2 GLU A 526 10.533 2.195 -13.928 1.00 0.00 H new ATOM 0 HB3 GLU A 526 11.962 2.403 -12.935 1.00 0.00 H new ATOM 0 HG2 GLU A 526 13.069 3.690 -14.546 1.00 0.00 H new ATOM 0 HG3 GLU A 526 12.114 3.051 -15.870 1.00 0.00 H new ATOM 837 N SER A 527 13.203 0.281 -12.321 1.00 0.00 N ATOM 838 CA SER A 527 13.451 -0.531 -11.135 1.00 0.00 C ATOM 839 C SER A 527 12.183 -0.671 -10.298 1.00 0.00 C ATOM 840 O SER A 527 11.487 0.310 -10.037 1.00 0.00 O ATOM 841 CB SER A 527 14.567 0.088 -10.291 1.00 0.00 C ATOM 842 OG SER A 527 14.637 -0.519 -9.013 1.00 0.00 O ATOM 0 H SER A 527 13.774 1.124 -12.382 1.00 0.00 H new ATOM 0 HA SER A 527 13.761 -1.523 -11.463 1.00 0.00 H new ATOM 0 HB2 SER A 527 15.522 -0.027 -10.804 1.00 0.00 H new ATOM 0 HB3 SER A 527 14.392 1.158 -10.180 1.00 0.00 H new ATOM 0 HG SER A 527 15.359 -0.107 -8.494 1.00 0.00 H new ATOM 848 N TYR A 528 11.891 -1.898 -9.880 1.00 0.00 N ATOM 849 CA TYR A 528 10.706 -2.168 -9.074 1.00 0.00 C ATOM 850 C TYR A 528 10.621 -1.208 -7.891 1.00 0.00 C ATOM 851 O TYR A 528 9.581 -0.598 -7.646 1.00 0.00 O ATOM 852 CB TYR A 528 10.724 -3.613 -8.572 1.00 0.00 C ATOM 853 CG TYR A 528 10.340 -4.625 -9.628 1.00 0.00 C ATOM 854 CD1 TYR A 528 9.006 -4.928 -9.874 1.00 0.00 C ATOM 855 CD2 TYR A 528 11.310 -5.279 -10.377 1.00 0.00 C ATOM 856 CE1 TYR A 528 8.650 -5.853 -10.837 1.00 0.00 C ATOM 857 CE2 TYR A 528 10.963 -6.204 -11.343 1.00 0.00 C ATOM 858 CZ TYR A 528 9.632 -6.488 -11.569 1.00 0.00 C ATOM 859 OH TYR A 528 9.283 -7.410 -12.529 1.00 0.00 O ATOM 0 H TYR A 528 12.458 -2.721 -10.086 1.00 0.00 H new ATOM 0 HA TYR A 528 9.828 -2.019 -9.703 1.00 0.00 H new ATOM 0 HB2 TYR A 528 11.722 -3.848 -8.201 1.00 0.00 H new ATOM 0 HB3 TYR A 528 10.041 -3.704 -7.728 1.00 0.00 H new ATOM 0 HD1 TYR A 528 8.235 -4.432 -9.303 1.00 0.00 H new ATOM 0 HD2 TYR A 528 12.353 -5.061 -10.201 1.00 0.00 H new ATOM 0 HE1 TYR A 528 7.609 -6.078 -11.016 1.00 0.00 H new ATOM 0 HE2 TYR A 528 11.730 -6.702 -11.918 1.00 0.00 H new ATOM 0 HH TYR A 528 10.093 -7.763 -12.953 1.00 0.00 H new ATOM 869 N GLY A 529 11.724 -1.080 -7.161 1.00 0.00 N ATOM 870 CA GLY A 529 11.755 -0.193 -6.013 1.00 0.00 C ATOM 871 C GLY A 529 11.359 1.227 -6.366 1.00 0.00 C ATOM 872 O GLY A 529 10.468 1.805 -5.743 1.00 0.00 O ATOM 0 H GLY A 529 12.597 -1.575 -7.344 1.00 0.00 H new ATOM 0 HA2 GLY A 529 11.082 -0.574 -5.245 1.00 0.00 H new ATOM 0 HA3 GLY A 529 12.758 -0.192 -5.586 1.00 0.00 H new ATOM 876 N TYR A 530 12.024 1.792 -7.368 1.00 0.00 N ATOM 877 CA TYR A 530 11.740 3.155 -7.801 1.00 0.00 C ATOM 878 C TYR A 530 10.237 3.421 -7.815 1.00 0.00 C ATOM 879 O TYR A 530 9.750 4.334 -7.147 1.00 0.00 O ATOM 880 CB TYR A 530 12.325 3.403 -9.193 1.00 0.00 C ATOM 881 CG TYR A 530 11.911 4.726 -9.797 1.00 0.00 C ATOM 882 CD1 TYR A 530 12.525 5.911 -9.411 1.00 0.00 C ATOM 883 CD2 TYR A 530 10.905 4.791 -10.753 1.00 0.00 C ATOM 884 CE1 TYR A 530 12.150 7.122 -9.959 1.00 0.00 C ATOM 885 CE2 TYR A 530 10.524 5.997 -11.308 1.00 0.00 C ATOM 886 CZ TYR A 530 11.149 7.160 -10.908 1.00 0.00 C ATOM 887 OH TYR A 530 10.772 8.364 -11.458 1.00 0.00 O ATOM 0 H TYR A 530 12.763 1.327 -7.895 1.00 0.00 H new ATOM 0 HA TYR A 530 12.205 3.838 -7.091 1.00 0.00 H new ATOM 0 HB2 TYR A 530 13.413 3.365 -9.133 1.00 0.00 H new ATOM 0 HB3 TYR A 530 12.014 2.597 -9.857 1.00 0.00 H new ATOM 0 HD1 TYR A 530 13.310 5.885 -8.669 1.00 0.00 H new ATOM 0 HD2 TYR A 530 10.412 3.883 -11.068 1.00 0.00 H new ATOM 0 HE1 TYR A 530 12.637 8.034 -9.647 1.00 0.00 H new ATOM 0 HE2 TYR A 530 9.741 6.029 -12.051 1.00 0.00 H new ATOM 0 HH TYR A 530 10.240 8.203 -12.265 1.00 0.00 H new ATOM 897 N VAL A 531 9.507 2.615 -8.580 1.00 0.00 N ATOM 898 CA VAL A 531 8.060 2.760 -8.680 1.00 0.00 C ATOM 899 C VAL A 531 7.442 3.054 -7.318 1.00 0.00 C ATOM 900 O VAL A 531 6.821 4.099 -7.117 1.00 0.00 O ATOM 901 CB VAL A 531 7.408 1.493 -9.265 1.00 0.00 C ATOM 902 CG1 VAL A 531 5.898 1.656 -9.341 1.00 0.00 C ATOM 903 CG2 VAL A 531 7.988 1.181 -10.636 1.00 0.00 C ATOM 0 H VAL A 531 9.894 1.855 -9.139 1.00 0.00 H new ATOM 0 HA VAL A 531 7.871 3.599 -9.350 1.00 0.00 H new ATOM 0 HB VAL A 531 7.626 0.654 -8.604 1.00 0.00 H new ATOM 0 HG11 VAL A 531 5.455 0.751 -9.757 1.00 0.00 H new ATOM 0 HG12 VAL A 531 5.500 1.829 -8.341 1.00 0.00 H new ATOM 0 HG13 VAL A 531 5.655 2.505 -9.980 1.00 0.00 H new ATOM 0 HG21 VAL A 531 7.516 0.283 -11.035 1.00 0.00 H new ATOM 0 HG22 VAL A 531 7.802 2.018 -11.309 1.00 0.00 H new ATOM 0 HG23 VAL A 531 9.062 1.018 -10.548 1.00 0.00 H new ATOM 913 N LEU A 532 7.615 2.126 -6.383 1.00 0.00 N ATOM 914 CA LEU A 532 7.074 2.285 -5.037 1.00 0.00 C ATOM 915 C LEU A 532 7.733 1.309 -4.067 1.00 0.00 C ATOM 916 O LEU A 532 7.651 0.091 -4.222 1.00 0.00 O ATOM 917 CB LEU A 532 5.560 2.068 -5.046 1.00 0.00 C ATOM 918 CG LEU A 532 4.861 2.161 -3.690 1.00 0.00 C ATOM 919 CD1 LEU A 532 4.644 3.615 -3.299 1.00 0.00 C ATOM 920 CD2 LEU A 532 3.536 1.412 -3.720 1.00 0.00 C ATOM 0 H LEU A 532 8.126 1.256 -6.532 1.00 0.00 H new ATOM 0 HA LEU A 532 7.287 3.301 -4.704 1.00 0.00 H new ATOM 0 HB2 LEU A 532 5.112 2.803 -5.715 1.00 0.00 H new ATOM 0 HB3 LEU A 532 5.356 1.085 -5.471 1.00 0.00 H new ATOM 0 HG LEU A 532 5.502 1.696 -2.941 1.00 0.00 H new ATOM 0 HD11 LEU A 532 4.145 3.661 -2.331 1.00 0.00 H new ATOM 0 HD12 LEU A 532 5.607 4.122 -3.236 1.00 0.00 H new ATOM 0 HD13 LEU A 532 4.024 4.105 -4.050 1.00 0.00 H new ATOM 0 HD21 LEU A 532 3.052 1.489 -2.746 1.00 0.00 H new ATOM 0 HD22 LEU A 532 2.889 1.847 -4.482 1.00 0.00 H new ATOM 0 HD23 LEU A 532 3.716 0.363 -3.954 1.00 0.00 H new ATOM 932 N PRO A 533 8.401 1.856 -3.041 1.00 0.00 N ATOM 933 CA PRO A 533 9.085 1.052 -2.023 1.00 0.00 C ATOM 934 C PRO A 533 8.107 0.308 -1.119 1.00 0.00 C ATOM 935 O PRO A 533 6.894 0.470 -1.236 1.00 0.00 O ATOM 936 CB PRO A 533 9.872 2.090 -1.220 1.00 0.00 C ATOM 937 CG PRO A 533 9.121 3.363 -1.408 1.00 0.00 C ATOM 938 CD PRO A 533 8.540 3.301 -2.794 1.00 0.00 C ATOM 0 HA PRO A 533 9.708 0.276 -2.467 1.00 0.00 H new ATOM 0 HB2 PRO A 533 9.929 1.816 -0.167 1.00 0.00 H new ATOM 0 HB3 PRO A 533 10.896 2.177 -1.582 1.00 0.00 H new ATOM 0 HG2 PRO A 533 8.335 3.466 -0.660 1.00 0.00 H new ATOM 0 HG3 PRO A 533 9.780 4.224 -1.299 1.00 0.00 H new ATOM 0 HD2 PRO A 533 7.579 3.813 -2.850 1.00 0.00 H new ATOM 0 HD3 PRO A 533 9.196 3.773 -3.526 1.00 0.00 H new ATOM 946 N ASN A 534 8.645 -0.506 -0.217 1.00 0.00 N ATOM 947 CA ASN A 534 7.820 -1.274 0.708 1.00 0.00 C ATOM 948 C ASN A 534 7.235 -0.374 1.792 1.00 0.00 C ATOM 949 O ASN A 534 6.017 -0.227 1.902 1.00 0.00 O ATOM 950 CB ASN A 534 8.642 -2.394 1.348 1.00 0.00 C ATOM 951 CG ASN A 534 9.446 -3.178 0.328 1.00 0.00 C ATOM 952 OD1 ASN A 534 10.669 -3.055 0.259 1.00 0.00 O ATOM 953 ND2 ASN A 534 8.760 -3.987 -0.470 1.00 0.00 N ATOM 0 H ASN A 534 9.649 -0.651 -0.107 1.00 0.00 H new ATOM 0 HA ASN A 534 6.998 -1.713 0.143 1.00 0.00 H new ATOM 0 HB2 ASN A 534 9.318 -1.967 2.089 1.00 0.00 H new ATOM 0 HB3 ASN A 534 7.975 -3.072 1.879 1.00 0.00 H new ATOM 0 HD21 ASN A 534 9.246 -4.539 -1.177 1.00 0.00 H new ATOM 0 HD22 ASN A 534 7.747 -4.057 -0.376 1.00 0.00 H new ATOM 960 N HIS A 535 8.111 0.227 2.590 1.00 0.00 N ATOM 961 CA HIS A 535 7.682 1.115 3.666 1.00 0.00 C ATOM 962 C HIS A 535 6.487 1.958 3.230 1.00 0.00 C ATOM 963 O HIS A 535 5.485 2.044 3.938 1.00 0.00 O ATOM 964 CB HIS A 535 8.833 2.024 4.095 1.00 0.00 C ATOM 965 CG HIS A 535 9.570 2.641 2.946 1.00 0.00 C ATOM 966 ND1 HIS A 535 9.135 3.775 2.295 1.00 0.00 N ATOM 967 CD2 HIS A 535 10.720 2.275 2.333 1.00 0.00 C ATOM 968 CE1 HIS A 535 9.985 4.080 1.330 1.00 0.00 C ATOM 969 NE2 HIS A 535 10.956 3.185 1.333 1.00 0.00 N ATOM 0 H HIS A 535 9.122 0.116 2.513 1.00 0.00 H new ATOM 0 HA HIS A 535 7.380 0.500 4.514 1.00 0.00 H new ATOM 0 HB2 HIS A 535 8.441 2.817 4.732 1.00 0.00 H new ATOM 0 HB3 HIS A 535 9.534 1.448 4.698 1.00 0.00 H new ATOM 0 HD2 HIS A 535 11.337 1.425 2.584 1.00 0.00 H new ATOM 0 HE1 HIS A 535 9.900 4.918 0.654 1.00 0.00 H new ATOM 0 HE2 HIS A 535 11.752 3.172 0.696 1.00 0.00 H new ATOM 977 N MET A 536 6.602 2.578 2.060 1.00 0.00 N ATOM 978 CA MET A 536 5.531 3.414 1.530 1.00 0.00 C ATOM 979 C MET A 536 4.286 2.583 1.239 1.00 0.00 C ATOM 980 O MET A 536 3.217 2.833 1.795 1.00 0.00 O ATOM 981 CB MET A 536 5.993 4.126 0.257 1.00 0.00 C ATOM 982 CG MET A 536 5.045 5.221 -0.204 1.00 0.00 C ATOM 983 SD MET A 536 5.208 6.734 0.763 1.00 0.00 S ATOM 984 CE MET A 536 6.777 7.354 0.161 1.00 0.00 C ATOM 0 H MET A 536 7.426 2.517 1.461 1.00 0.00 H new ATOM 0 HA MET A 536 5.280 4.160 2.284 1.00 0.00 H new ATOM 0 HB2 MET A 536 6.978 4.559 0.430 1.00 0.00 H new ATOM 0 HB3 MET A 536 6.103 3.392 -0.541 1.00 0.00 H new ATOM 0 HG2 MET A 536 5.236 5.443 -1.254 1.00 0.00 H new ATOM 0 HG3 MET A 536 4.019 4.860 -0.136 1.00 0.00 H new ATOM 0 HE1 MET A 536 7.000 8.307 0.640 1.00 0.00 H new ATOM 0 HE2 MET A 536 7.565 6.638 0.394 1.00 0.00 H new ATOM 0 HE3 MET A 536 6.723 7.495 -0.918 1.00 0.00 H new ATOM 994 N MET A 537 4.432 1.593 0.363 1.00 0.00 N ATOM 995 CA MET A 537 3.319 0.725 -0.001 1.00 0.00 C ATOM 996 C MET A 537 2.452 0.414 1.215 1.00 0.00 C ATOM 997 O MET A 537 1.250 0.686 1.218 1.00 0.00 O ATOM 998 CB MET A 537 3.839 -0.576 -0.617 1.00 0.00 C ATOM 999 CG MET A 537 2.804 -1.307 -1.456 1.00 0.00 C ATOM 1000 SD MET A 537 3.546 -2.280 -2.781 1.00 0.00 S ATOM 1001 CE MET A 537 4.604 -3.379 -1.843 1.00 0.00 C ATOM 0 H MET A 537 5.310 1.373 -0.107 1.00 0.00 H new ATOM 0 HA MET A 537 2.708 1.248 -0.737 1.00 0.00 H new ATOM 0 HB2 MET A 537 4.707 -0.353 -1.238 1.00 0.00 H new ATOM 0 HB3 MET A 537 4.179 -1.236 0.181 1.00 0.00 H new ATOM 0 HG2 MET A 537 2.218 -1.963 -0.813 1.00 0.00 H new ATOM 0 HG3 MET A 537 2.113 -0.582 -1.886 1.00 0.00 H new ATOM 0 HE1 MET A 537 5.198 -3.984 -2.528 1.00 0.00 H new ATOM 0 HE2 MET A 537 5.268 -2.791 -1.209 1.00 0.00 H new ATOM 0 HE3 MET A 537 3.991 -4.031 -1.221 1.00 0.00 H new ATOM 1011 N LEU A 538 3.067 -0.156 2.245 1.00 0.00 N ATOM 1012 CA LEU A 538 2.350 -0.504 3.467 1.00 0.00 C ATOM 1013 C LEU A 538 1.689 0.726 4.079 1.00 0.00 C ATOM 1014 O LEU A 538 0.500 0.712 4.397 1.00 0.00 O ATOM 1015 CB LEU A 538 3.306 -1.141 4.478 1.00 0.00 C ATOM 1016 CG LEU A 538 3.629 -2.619 4.258 1.00 0.00 C ATOM 1017 CD1 LEU A 538 4.880 -3.012 5.027 1.00 0.00 C ATOM 1018 CD2 LEU A 538 2.451 -3.489 4.671 1.00 0.00 C ATOM 0 H LEU A 538 4.060 -0.387 2.259 1.00 0.00 H new ATOM 0 HA LEU A 538 1.571 -1.222 3.211 1.00 0.00 H new ATOM 0 HB2 LEU A 538 4.241 -0.580 4.467 1.00 0.00 H new ATOM 0 HB3 LEU A 538 2.878 -1.028 5.474 1.00 0.00 H new ATOM 0 HG LEU A 538 3.816 -2.776 3.196 1.00 0.00 H new ATOM 0 HD11 LEU A 538 5.094 -4.067 4.858 1.00 0.00 H new ATOM 0 HD12 LEU A 538 5.722 -2.411 4.683 1.00 0.00 H new ATOM 0 HD13 LEU A 538 4.722 -2.840 6.092 1.00 0.00 H new ATOM 0 HD21 LEU A 538 2.698 -4.538 4.508 1.00 0.00 H new ATOM 0 HD22 LEU A 538 2.232 -3.328 5.727 1.00 0.00 H new ATOM 0 HD23 LEU A 538 1.577 -3.225 4.075 1.00 0.00 H new ATOM 1030 N LYS A 539 2.467 1.791 4.240 1.00 0.00 N ATOM 1031 CA LYS A 539 1.958 3.032 4.811 1.00 0.00 C ATOM 1032 C LYS A 539 0.596 3.384 4.222 1.00 0.00 C ATOM 1033 O LYS A 539 -0.358 3.650 4.954 1.00 0.00 O ATOM 1034 CB LYS A 539 2.944 4.175 4.561 1.00 0.00 C ATOM 1035 CG LYS A 539 2.453 5.523 5.062 1.00 0.00 C ATOM 1036 CD LYS A 539 3.604 6.492 5.272 1.00 0.00 C ATOM 1037 CE LYS A 539 3.153 7.740 6.015 1.00 0.00 C ATOM 1038 NZ LYS A 539 2.630 8.781 5.086 1.00 0.00 N ATOM 0 H LYS A 539 3.454 1.819 3.983 1.00 0.00 H new ATOM 0 HA LYS A 539 1.843 2.888 5.885 1.00 0.00 H new ATOM 0 HB2 LYS A 539 3.891 3.939 5.047 1.00 0.00 H new ATOM 0 HB3 LYS A 539 3.143 4.245 3.492 1.00 0.00 H new ATOM 0 HG2 LYS A 539 1.748 5.944 4.345 1.00 0.00 H new ATOM 0 HG3 LYS A 539 1.913 5.389 5.999 1.00 0.00 H new ATOM 0 HD2 LYS A 539 4.398 6.000 5.834 1.00 0.00 H new ATOM 0 HD3 LYS A 539 4.024 6.774 4.307 1.00 0.00 H new ATOM 0 HE2 LYS A 539 2.379 7.474 6.735 1.00 0.00 H new ATOM 0 HE3 LYS A 539 3.990 8.147 6.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 539 2.556 9.689 5.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 539 3.278 8.883 4.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 539 1.690 8.499 4.742 1.00 0.00 H new ATOM 1052 N ILE A 540 0.512 3.381 2.896 1.00 0.00 N ATOM 1053 CA ILE A 540 -0.735 3.697 2.209 1.00 0.00 C ATOM 1054 C ILE A 540 -1.791 2.628 2.467 1.00 0.00 C ATOM 1055 O ILE A 540 -2.869 2.918 2.985 1.00 0.00 O ATOM 1056 CB ILE A 540 -0.521 3.836 0.690 1.00 0.00 C ATOM 1057 CG1 ILE A 540 0.493 4.942 0.394 1.00 0.00 C ATOM 1058 CG2 ILE A 540 -1.843 4.122 -0.007 1.00 0.00 C ATOM 1059 CD1 ILE A 540 1.130 4.829 -0.973 1.00 0.00 C ATOM 0 H ILE A 540 1.292 3.163 2.276 1.00 0.00 H new ATOM 0 HA ILE A 540 -1.082 4.650 2.607 1.00 0.00 H new ATOM 0 HB ILE A 540 -0.126 2.895 0.307 1.00 0.00 H new ATOM 0 HG12 ILE A 540 -0.003 5.909 0.476 1.00 0.00 H new ATOM 0 HG13 ILE A 540 1.275 4.919 1.153 1.00 0.00 H new ATOM 0 HG21 ILE A 540 -1.675 4.218 -1.080 1.00 0.00 H new ATOM 0 HG22 ILE A 540 -2.538 3.303 0.180 1.00 0.00 H new ATOM 0 HG23 ILE A 540 -2.264 5.050 0.379 1.00 0.00 H new ATOM 0 HD11 ILE A 540 1.838 5.646 -1.113 1.00 0.00 H new ATOM 0 HD12 ILE A 540 1.655 3.877 -1.052 1.00 0.00 H new ATOM 0 HD13 ILE A 540 0.357 4.882 -1.740 1.00 0.00 H new ATOM 1071 N ALA A 541 -1.473 1.390 2.103 1.00 0.00 N ATOM 1072 CA ALA A 541 -2.392 0.276 2.299 1.00 0.00 C ATOM 1073 C ALA A 541 -3.056 0.347 3.670 1.00 0.00 C ATOM 1074 O ALA A 541 -4.243 0.055 3.810 1.00 0.00 O ATOM 1075 CB ALA A 541 -1.661 -1.048 2.132 1.00 0.00 C ATOM 0 H ALA A 541 -0.586 1.133 1.671 1.00 0.00 H new ATOM 0 HA ALA A 541 -3.173 0.344 1.542 1.00 0.00 H new ATOM 0 HB1 ALA A 541 -2.360 -1.871 2.281 1.00 0.00 H new ATOM 0 HB2 ALA A 541 -1.240 -1.107 1.128 1.00 0.00 H new ATOM 0 HB3 ALA A 541 -0.859 -1.116 2.867 1.00 0.00 H new ATOM 1081 N GLU A 542 -2.281 0.735 4.678 1.00 0.00 N ATOM 1082 CA GLU A 542 -2.796 0.841 6.039 1.00 0.00 C ATOM 1083 C GLU A 542 -3.731 2.040 6.175 1.00 0.00 C ATOM 1084 O GLU A 542 -4.810 1.935 6.756 1.00 0.00 O ATOM 1085 CB GLU A 542 -1.641 0.965 7.036 1.00 0.00 C ATOM 1086 CG GLU A 542 -0.807 -0.298 7.161 1.00 0.00 C ATOM 1087 CD GLU A 542 -0.101 -0.401 8.499 1.00 0.00 C ATOM 1088 OE1 GLU A 542 0.700 0.503 8.818 1.00 0.00 O ATOM 1089 OE2 GLU A 542 -0.349 -1.385 9.227 1.00 0.00 O ATOM 0 H GLU A 542 -1.296 0.981 4.579 1.00 0.00 H new ATOM 0 HA GLU A 542 -3.361 -0.065 6.259 1.00 0.00 H new ATOM 0 HB2 GLU A 542 -0.995 1.788 6.730 1.00 0.00 H new ATOM 0 HB3 GLU A 542 -2.044 1.223 8.016 1.00 0.00 H new ATOM 0 HG2 GLU A 542 -1.450 -1.168 7.026 1.00 0.00 H new ATOM 0 HG3 GLU A 542 -0.067 -0.321 6.361 1.00 0.00 H new ATOM 1096 N GLU A 543 -3.306 3.178 5.634 1.00 0.00 N ATOM 1097 CA GLU A 543 -4.105 4.396 5.696 1.00 0.00 C ATOM 1098 C GLU A 543 -5.504 4.159 5.135 1.00 0.00 C ATOM 1099 O GLU A 543 -6.503 4.556 5.737 1.00 0.00 O ATOM 1100 CB GLU A 543 -3.417 5.523 4.923 1.00 0.00 C ATOM 1101 CG GLU A 543 -2.253 6.152 5.669 1.00 0.00 C ATOM 1102 CD GLU A 543 -2.693 6.905 6.910 1.00 0.00 C ATOM 1103 OE1 GLU A 543 -3.543 7.811 6.783 1.00 0.00 O ATOM 1104 OE2 GLU A 543 -2.187 6.588 8.006 1.00 0.00 O ATOM 0 H GLU A 543 -2.415 3.281 5.149 1.00 0.00 H new ATOM 0 HA GLU A 543 -4.197 4.687 6.743 1.00 0.00 H new ATOM 0 HB2 GLU A 543 -3.058 5.132 3.971 1.00 0.00 H new ATOM 0 HB3 GLU A 543 -4.151 6.296 4.694 1.00 0.00 H new ATOM 0 HG2 GLU A 543 -1.545 5.373 5.953 1.00 0.00 H new ATOM 0 HG3 GLU A 543 -1.726 6.834 5.003 1.00 0.00 H new ATOM 1111 N LEU A 544 -5.568 3.511 3.978 1.00 0.00 N ATOM 1112 CA LEU A 544 -6.845 3.220 3.333 1.00 0.00 C ATOM 1113 C LEU A 544 -7.572 4.508 2.961 1.00 0.00 C ATOM 1114 O LEU A 544 -8.722 4.733 3.341 1.00 0.00 O ATOM 1115 CB LEU A 544 -7.723 2.373 4.255 1.00 0.00 C ATOM 1116 CG LEU A 544 -7.207 0.969 4.570 1.00 0.00 C ATOM 1117 CD1 LEU A 544 -8.256 0.172 5.331 1.00 0.00 C ATOM 1118 CD2 LEU A 544 -6.812 0.247 3.290 1.00 0.00 C ATOM 0 H LEU A 544 -4.751 3.177 3.466 1.00 0.00 H new ATOM 0 HA LEU A 544 -6.644 2.661 2.419 1.00 0.00 H new ATOM 0 HB2 LEU A 544 -7.852 2.910 5.195 1.00 0.00 H new ATOM 0 HB3 LEU A 544 -8.710 2.282 3.801 1.00 0.00 H new ATOM 0 HG LEU A 544 -6.323 1.061 5.200 1.00 0.00 H new ATOM 0 HD11 LEU A 544 -7.870 -0.825 5.546 1.00 0.00 H new ATOM 0 HD12 LEU A 544 -8.491 0.680 6.266 1.00 0.00 H new ATOM 0 HD13 LEU A 544 -9.159 0.089 4.726 1.00 0.00 H new ATOM 0 HD21 LEU A 544 -6.447 -0.751 3.533 1.00 0.00 H new ATOM 0 HD22 LEU A 544 -7.680 0.167 2.635 1.00 0.00 H new ATOM 0 HD23 LEU A 544 -6.026 0.808 2.784 1.00 0.00 H new ATOM 1130 N PRO A 545 -6.889 5.375 2.199 1.00 0.00 N ATOM 1131 CA PRO A 545 -7.452 6.655 1.757 1.00 0.00 C ATOM 1132 C PRO A 545 -8.563 6.474 0.727 1.00 0.00 C ATOM 1133 O PRO A 545 -8.359 5.861 -0.320 1.00 0.00 O ATOM 1134 CB PRO A 545 -6.253 7.371 1.130 1.00 0.00 C ATOM 1135 CG PRO A 545 -5.337 6.276 0.704 1.00 0.00 C ATOM 1136 CD PRO A 545 -5.515 5.173 1.710 1.00 0.00 C ATOM 0 HA PRO A 545 -7.912 7.204 2.578 1.00 0.00 H new ATOM 0 HB2 PRO A 545 -6.558 7.984 0.282 1.00 0.00 H new ATOM 0 HB3 PRO A 545 -5.770 8.035 1.847 1.00 0.00 H new ATOM 0 HG2 PRO A 545 -5.582 5.931 -0.301 1.00 0.00 H new ATOM 0 HG3 PRO A 545 -4.303 6.619 0.680 1.00 0.00 H new ATOM 0 HD2 PRO A 545 -5.391 4.190 1.255 1.00 0.00 H new ATOM 0 HD3 PRO A 545 -4.787 5.244 2.518 1.00 0.00 H new ATOM 1144 N LYS A 546 -9.738 7.013 1.032 1.00 0.00 N ATOM 1145 CA LYS A 546 -10.882 6.913 0.133 1.00 0.00 C ATOM 1146 C LYS A 546 -10.664 7.754 -1.120 1.00 0.00 C ATOM 1147 O LYS A 546 -10.980 7.325 -2.229 1.00 0.00 O ATOM 1148 CB LYS A 546 -12.158 7.364 0.847 1.00 0.00 C ATOM 1149 CG LYS A 546 -12.163 8.839 1.211 1.00 0.00 C ATOM 1150 CD LYS A 546 -13.423 9.222 1.970 1.00 0.00 C ATOM 1151 CE LYS A 546 -14.574 9.523 1.023 1.00 0.00 C ATOM 1152 NZ LYS A 546 -15.686 10.237 1.711 1.00 0.00 N ATOM 0 H LYS A 546 -9.924 7.524 1.895 1.00 0.00 H new ATOM 0 HA LYS A 546 -10.989 5.870 -0.165 1.00 0.00 H new ATOM 0 HB2 LYS A 546 -13.016 7.153 0.208 1.00 0.00 H new ATOM 0 HB3 LYS A 546 -12.284 6.774 1.755 1.00 0.00 H new ATOM 0 HG2 LYS A 546 -11.287 9.068 1.819 1.00 0.00 H new ATOM 0 HG3 LYS A 546 -12.087 9.439 0.304 1.00 0.00 H new ATOM 0 HD2 LYS A 546 -13.705 8.411 2.641 1.00 0.00 H new ATOM 0 HD3 LYS A 546 -13.224 10.095 2.591 1.00 0.00 H new ATOM 0 HE2 LYS A 546 -14.212 10.129 0.192 1.00 0.00 H new ATOM 0 HE3 LYS A 546 -14.948 8.591 0.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 546 -16.451 10.424 1.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 546 -16.049 9.648 2.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 546 -15.335 11.138 2.094 1.00 0.00 H new ATOM 1166 N GLU A 547 -10.120 8.954 -0.935 1.00 0.00 N ATOM 1167 CA GLU A 547 -9.859 9.854 -2.053 1.00 0.00 C ATOM 1168 C GLU A 547 -8.434 9.681 -2.570 1.00 0.00 C ATOM 1169 O GLU A 547 -7.563 9.135 -1.892 1.00 0.00 O ATOM 1170 CB GLU A 547 -10.087 11.306 -1.630 1.00 0.00 C ATOM 1171 CG GLU A 547 -11.507 11.794 -1.868 1.00 0.00 C ATOM 1172 CD GLU A 547 -11.813 13.081 -1.128 1.00 0.00 C ATOM 1173 OE1 GLU A 547 -10.916 13.947 -1.049 1.00 0.00 O ATOM 1174 OE2 GLU A 547 -12.948 13.223 -0.628 1.00 0.00 O ATOM 0 H GLU A 547 -9.852 9.324 -0.023 1.00 0.00 H new ATOM 0 HA GLU A 547 -10.551 9.604 -2.857 1.00 0.00 H new ATOM 0 HB2 GLU A 547 -9.849 11.409 -0.571 1.00 0.00 H new ATOM 0 HB3 GLU A 547 -9.395 11.947 -2.176 1.00 0.00 H new ATOM 0 HG2 GLU A 547 -11.660 11.948 -2.936 1.00 0.00 H new ATOM 0 HG3 GLU A 547 -12.210 11.023 -1.554 1.00 0.00 H new ATOM 1181 N PRO A 548 -8.190 10.156 -3.800 1.00 0.00 N ATOM 1182 CA PRO A 548 -6.872 10.066 -4.436 1.00 0.00 C ATOM 1183 C PRO A 548 -5.845 10.977 -3.773 1.00 0.00 C ATOM 1184 O PRO A 548 -4.649 10.884 -4.050 1.00 0.00 O ATOM 1185 CB PRO A 548 -7.140 10.519 -5.873 1.00 0.00 C ATOM 1186 CG PRO A 548 -8.346 11.389 -5.777 1.00 0.00 C ATOM 1187 CD PRO A 548 -9.180 10.819 -4.664 1.00 0.00 C ATOM 0 HA PRO A 548 -6.451 9.063 -4.362 1.00 0.00 H new ATOM 0 HB2 PRO A 548 -6.289 11.065 -6.281 1.00 0.00 H new ATOM 0 HB3 PRO A 548 -7.317 9.668 -6.530 1.00 0.00 H new ATOM 0 HG2 PRO A 548 -8.067 12.421 -5.566 1.00 0.00 H new ATOM 0 HG3 PRO A 548 -8.899 11.394 -6.716 1.00 0.00 H new ATOM 0 HD2 PRO A 548 -9.722 11.598 -4.129 1.00 0.00 H new ATOM 0 HD3 PRO A 548 -9.922 10.114 -5.039 1.00 0.00 H new ATOM 1195 N GLN A 549 -6.319 11.856 -2.896 1.00 0.00 N ATOM 1196 CA GLN A 549 -5.440 12.784 -2.194 1.00 0.00 C ATOM 1197 C GLN A 549 -4.718 12.087 -1.046 1.00 0.00 C ATOM 1198 O GLN A 549 -3.517 12.274 -0.851 1.00 0.00 O ATOM 1199 CB GLN A 549 -6.241 13.974 -1.662 1.00 0.00 C ATOM 1200 CG GLN A 549 -5.373 15.136 -1.205 1.00 0.00 C ATOM 1201 CD GLN A 549 -4.963 16.042 -2.349 1.00 0.00 C ATOM 1202 OE1 GLN A 549 -5.223 15.746 -3.515 1.00 0.00 O ATOM 1203 NE2 GLN A 549 -4.317 17.155 -2.021 1.00 0.00 N ATOM 0 H GLN A 549 -7.306 11.945 -2.655 1.00 0.00 H new ATOM 0 HA GLN A 549 -4.694 13.145 -2.902 1.00 0.00 H new ATOM 0 HB2 GLN A 549 -6.919 14.322 -2.441 1.00 0.00 H new ATOM 0 HB3 GLN A 549 -6.858 13.642 -0.827 1.00 0.00 H new ATOM 0 HG2 GLN A 549 -5.915 15.719 -0.461 1.00 0.00 H new ATOM 0 HG3 GLN A 549 -4.480 14.747 -0.716 1.00 0.00 H new ATOM 0 HE21 GLN A 549 -4.122 17.362 -1.041 1.00 0.00 H new ATOM 0 HE22 GLN A 549 -4.016 17.803 -2.749 1.00 0.00 H new ATOM 1212 N GLY A 550 -5.458 11.284 -0.288 1.00 0.00 N ATOM 1213 CA GLY A 550 -4.871 10.572 0.831 1.00 0.00 C ATOM 1214 C GLY A 550 -3.656 9.760 0.429 1.00 0.00 C ATOM 1215 O GLY A 550 -2.722 9.597 1.215 1.00 0.00 O ATOM 0 H GLY A 550 -6.454 11.114 -0.429 1.00 0.00 H new ATOM 0 HA2 GLY A 550 -4.587 11.287 1.604 1.00 0.00 H new ATOM 0 HA3 GLY A 550 -5.618 9.910 1.268 1.00 0.00 H new ATOM 1219 N ILE A 551 -3.668 9.247 -0.796 1.00 0.00 N ATOM 1220 CA ILE A 551 -2.558 8.447 -1.300 1.00 0.00 C ATOM 1221 C ILE A 551 -1.331 9.313 -1.564 1.00 0.00 C ATOM 1222 O ILE A 551 -0.196 8.866 -1.399 1.00 0.00 O ATOM 1223 CB ILE A 551 -2.940 7.709 -2.597 1.00 0.00 C ATOM 1224 CG1 ILE A 551 -4.043 6.686 -2.322 1.00 0.00 C ATOM 1225 CG2 ILE A 551 -1.719 7.031 -3.200 1.00 0.00 C ATOM 1226 CD1 ILE A 551 -5.440 7.244 -2.481 1.00 0.00 C ATOM 0 H ILE A 551 -4.434 9.371 -1.458 1.00 0.00 H new ATOM 0 HA ILE A 551 -2.322 7.713 -0.529 1.00 0.00 H new ATOM 0 HB ILE A 551 -3.318 8.438 -3.314 1.00 0.00 H new ATOM 0 HG12 ILE A 551 -3.919 5.840 -2.998 1.00 0.00 H new ATOM 0 HG13 ILE A 551 -3.927 6.303 -1.308 1.00 0.00 H new ATOM 0 HG21 ILE A 551 -2.005 6.514 -4.116 1.00 0.00 H new ATOM 0 HG22 ILE A 551 -0.962 7.781 -3.428 1.00 0.00 H new ATOM 0 HG23 ILE A 551 -1.314 6.312 -2.488 1.00 0.00 H new ATOM 0 HD11 ILE A 551 -6.170 6.463 -2.270 1.00 0.00 H new ATOM 0 HD12 ILE A 551 -5.583 8.071 -1.785 1.00 0.00 H new ATOM 0 HD13 ILE A 551 -5.575 7.601 -3.502 1.00 0.00 H new ATOM 1238 N ILE A 552 -1.567 10.556 -1.972 1.00 0.00 N ATOM 1239 CA ILE A 552 -0.481 11.485 -2.255 1.00 0.00 C ATOM 1240 C ILE A 552 0.115 12.043 -0.967 1.00 0.00 C ATOM 1241 O ILE A 552 1.328 12.220 -0.858 1.00 0.00 O ATOM 1242 CB ILE A 552 -0.957 12.656 -3.136 1.00 0.00 C ATOM 1243 CG1 ILE A 552 -1.675 12.128 -4.380 1.00 0.00 C ATOM 1244 CG2 ILE A 552 0.220 13.534 -3.531 1.00 0.00 C ATOM 1245 CD1 ILE A 552 -2.346 13.210 -5.196 1.00 0.00 C ATOM 0 H ILE A 552 -2.500 10.942 -2.114 1.00 0.00 H new ATOM 0 HA ILE A 552 0.283 10.923 -2.793 1.00 0.00 H new ATOM 0 HB ILE A 552 -1.660 13.260 -2.562 1.00 0.00 H new ATOM 0 HG12 ILE A 552 -0.956 11.603 -5.009 1.00 0.00 H new ATOM 0 HG13 ILE A 552 -2.424 11.398 -4.074 1.00 0.00 H new ATOM 0 HG21 ILE A 552 -0.132 14.357 -4.153 1.00 0.00 H new ATOM 0 HG22 ILE A 552 0.693 13.934 -2.634 1.00 0.00 H new ATOM 0 HG23 ILE A 552 0.945 12.941 -4.089 1.00 0.00 H new ATOM 0 HD11 ILE A 552 -2.834 12.763 -6.062 1.00 0.00 H new ATOM 0 HD12 ILE A 552 -3.089 13.720 -4.583 1.00 0.00 H new ATOM 0 HD13 ILE A 552 -1.598 13.929 -5.532 1.00 0.00 H new ATOM 1257 N ALA A 553 -0.746 12.316 0.007 1.00 0.00 N ATOM 1258 CA ALA A 553 -0.305 12.850 1.290 1.00 0.00 C ATOM 1259 C ALA A 553 0.804 11.992 1.889 1.00 0.00 C ATOM 1260 O ALA A 553 1.730 12.508 2.517 1.00 0.00 O ATOM 1261 CB ALA A 553 -1.479 12.947 2.253 1.00 0.00 C ATOM 0 H ALA A 553 -1.754 12.176 -0.068 1.00 0.00 H new ATOM 0 HA ALA A 553 0.096 13.850 1.122 1.00 0.00 H new ATOM 0 HB1 ALA A 553 -1.135 13.347 3.207 1.00 0.00 H new ATOM 0 HB2 ALA A 553 -2.239 13.607 1.835 1.00 0.00 H new ATOM 0 HB3 ALA A 553 -1.905 11.956 2.408 1.00 0.00 H new ATOM 1267 N CYS A 554 0.705 10.683 1.690 1.00 0.00 N ATOM 1268 CA CYS A 554 1.700 9.753 2.213 1.00 0.00 C ATOM 1269 C CYS A 554 3.081 10.055 1.639 1.00 0.00 C ATOM 1270 O CYS A 554 3.994 10.447 2.367 1.00 0.00 O ATOM 1271 CB CYS A 554 1.304 8.312 1.887 1.00 0.00 C ATOM 1272 SG CYS A 554 -0.481 8.021 1.881 1.00 0.00 S ATOM 0 H CYS A 554 -0.054 10.241 1.171 1.00 0.00 H new ATOM 0 HA CYS A 554 1.741 9.875 3.295 1.00 0.00 H new ATOM 0 HB2 CYS A 554 1.708 8.048 0.910 1.00 0.00 H new ATOM 0 HB3 CYS A 554 1.768 7.646 2.614 1.00 0.00 H new ATOM 0 HG CYS A 554 -1.106 9.161 1.861 1.00 0.00 H new ATOM 1278 N CYS A 555 3.226 9.869 0.332 1.00 0.00 N ATOM 1279 CA CYS A 555 4.497 10.120 -0.339 1.00 0.00 C ATOM 1280 C CYS A 555 4.897 11.587 -0.215 1.00 0.00 C ATOM 1281 O CYS A 555 4.124 12.482 -0.554 1.00 0.00 O ATOM 1282 CB CYS A 555 4.404 9.727 -1.814 1.00 0.00 C ATOM 1283 SG CYS A 555 3.802 8.045 -2.093 1.00 0.00 S ATOM 0 H CYS A 555 2.480 9.546 -0.284 1.00 0.00 H new ATOM 0 HA CYS A 555 5.262 9.512 0.144 1.00 0.00 H new ATOM 0 HB2 CYS A 555 3.743 10.427 -2.325 1.00 0.00 H new ATOM 0 HB3 CYS A 555 5.389 9.829 -2.269 1.00 0.00 H new ATOM 0 HG CYS A 555 4.013 7.327 -1.030 1.00 0.00 H new ATOM 1289 N ASN A 556 6.110 11.824 0.274 1.00 0.00 N ATOM 1290 CA ASN A 556 6.612 13.183 0.445 1.00 0.00 C ATOM 1291 C ASN A 556 8.137 13.206 0.418 1.00 0.00 C ATOM 1292 O ASN A 556 8.806 12.812 1.374 1.00 0.00 O ATOM 1293 CB ASN A 556 6.105 13.775 1.761 1.00 0.00 C ATOM 1294 CG ASN A 556 6.606 13.009 2.971 1.00 0.00 C ATOM 1295 OD1 ASN A 556 7.401 13.522 3.759 1.00 0.00 O ATOM 1296 ND2 ASN A 556 6.142 11.774 3.123 1.00 0.00 N ATOM 0 H ASN A 556 6.763 11.094 0.559 1.00 0.00 H new ATOM 0 HA ASN A 556 6.242 13.787 -0.383 1.00 0.00 H new ATOM 0 HB2 ASN A 556 6.424 14.815 1.835 1.00 0.00 H new ATOM 0 HB3 ASN A 556 5.015 13.775 1.760 1.00 0.00 H new ATOM 0 HD21 ASN A 556 6.443 11.210 3.918 1.00 0.00 H new ATOM 0 HD22 ASN A 556 5.484 11.389 2.445 1.00 0.00 H new ATOM 1303 N PRO A 557 8.703 13.679 -0.702 1.00 0.00 N ATOM 1304 CA PRO A 557 7.917 14.150 -1.847 1.00 0.00 C ATOM 1305 C PRO A 557 7.206 13.011 -2.570 1.00 0.00 C ATOM 1306 O PRO A 557 7.443 11.837 -2.285 1.00 0.00 O ATOM 1307 CB PRO A 557 8.968 14.789 -2.759 1.00 0.00 C ATOM 1308 CG PRO A 557 10.243 14.103 -2.406 1.00 0.00 C ATOM 1309 CD PRO A 557 10.152 13.790 -0.938 1.00 0.00 C ATOM 0 HA PRO A 557 7.123 14.833 -1.544 1.00 0.00 H new ATOM 0 HB2 PRO A 557 8.719 14.646 -3.811 1.00 0.00 H new ATOM 0 HB3 PRO A 557 9.037 15.864 -2.591 1.00 0.00 H new ATOM 0 HG2 PRO A 557 10.372 13.193 -2.992 1.00 0.00 H new ATOM 0 HG3 PRO A 557 11.101 14.742 -2.616 1.00 0.00 H new ATOM 0 HD2 PRO A 557 10.671 12.864 -0.692 1.00 0.00 H new ATOM 0 HD3 PRO A 557 10.599 14.577 -0.331 1.00 0.00 H new ATOM 1317 N VAL A 558 6.332 13.366 -3.507 1.00 0.00 N ATOM 1318 CA VAL A 558 5.587 12.373 -4.272 1.00 0.00 C ATOM 1319 C VAL A 558 6.276 12.070 -5.597 1.00 0.00 C ATOM 1320 O VAL A 558 6.718 12.967 -6.315 1.00 0.00 O ATOM 1321 CB VAL A 558 4.147 12.844 -4.550 1.00 0.00 C ATOM 1322 CG1 VAL A 558 3.404 11.820 -5.395 1.00 0.00 C ATOM 1323 CG2 VAL A 558 3.411 13.106 -3.245 1.00 0.00 C ATOM 0 H VAL A 558 6.123 14.333 -3.754 1.00 0.00 H new ATOM 0 HA VAL A 558 5.555 11.467 -3.668 1.00 0.00 H new ATOM 0 HB VAL A 558 4.190 13.778 -5.110 1.00 0.00 H new ATOM 0 HG11 VAL A 558 2.389 12.170 -5.581 1.00 0.00 H new ATOM 0 HG12 VAL A 558 3.922 11.687 -6.345 1.00 0.00 H new ATOM 0 HG13 VAL A 558 3.368 10.868 -4.865 1.00 0.00 H new ATOM 0 HG21 VAL A 558 2.395 13.438 -3.460 1.00 0.00 H new ATOM 0 HG22 VAL A 558 3.376 12.189 -2.657 1.00 0.00 H new ATOM 0 HG23 VAL A 558 3.933 13.879 -2.681 1.00 0.00 H new ATOM 1333 N PRO A 559 6.371 10.774 -5.932 1.00 0.00 N ATOM 1334 CA PRO A 559 7.004 10.322 -7.174 1.00 0.00 C ATOM 1335 C PRO A 559 6.184 10.683 -8.408 1.00 0.00 C ATOM 1336 O PRO A 559 4.996 10.996 -8.324 1.00 0.00 O ATOM 1337 CB PRO A 559 7.075 8.803 -7.004 1.00 0.00 C ATOM 1338 CG PRO A 559 5.972 8.476 -6.057 1.00 0.00 C ATOM 1339 CD PRO A 559 5.866 9.652 -5.124 1.00 0.00 C ATOM 0 HA PRO A 559 7.975 10.793 -7.331 1.00 0.00 H new ATOM 0 HB2 PRO A 559 6.943 8.291 -7.957 1.00 0.00 H new ATOM 0 HB3 PRO A 559 8.042 8.494 -6.607 1.00 0.00 H new ATOM 0 HG2 PRO A 559 5.035 8.315 -6.590 1.00 0.00 H new ATOM 0 HG3 PRO A 559 6.188 7.560 -5.507 1.00 0.00 H new ATOM 0 HD2 PRO A 559 4.838 9.819 -4.803 1.00 0.00 H new ATOM 0 HD3 PRO A 559 6.462 9.505 -4.223 1.00 0.00 H new ATOM 1347 N PRO A 560 6.829 10.637 -9.583 1.00 0.00 N ATOM 1348 CA PRO A 560 6.177 10.954 -10.857 1.00 0.00 C ATOM 1349 C PRO A 560 5.156 9.898 -11.265 1.00 0.00 C ATOM 1350 O PRO A 560 4.423 10.072 -12.239 1.00 0.00 O ATOM 1351 CB PRO A 560 7.340 10.987 -11.852 1.00 0.00 C ATOM 1352 CG PRO A 560 8.381 10.109 -11.247 1.00 0.00 C ATOM 1353 CD PRO A 560 8.245 10.271 -9.758 1.00 0.00 C ATOM 0 HA PRO A 560 5.615 11.887 -10.806 1.00 0.00 H new ATOM 0 HB2 PRO A 560 7.033 10.620 -12.832 1.00 0.00 H new ATOM 0 HB3 PRO A 560 7.711 12.002 -11.993 1.00 0.00 H new ATOM 0 HG2 PRO A 560 8.234 9.070 -11.541 1.00 0.00 H new ATOM 0 HG3 PRO A 560 9.377 10.398 -11.582 1.00 0.00 H new ATOM 0 HD2 PRO A 560 8.490 9.350 -9.229 1.00 0.00 H new ATOM 0 HD3 PRO A 560 8.910 11.045 -9.375 1.00 0.00 H new ATOM 1361 N LEU A 561 5.114 8.802 -10.515 1.00 0.00 N ATOM 1362 CA LEU A 561 4.182 7.716 -10.799 1.00 0.00 C ATOM 1363 C LEU A 561 2.920 7.847 -9.952 1.00 0.00 C ATOM 1364 O LEU A 561 1.836 8.112 -10.472 1.00 0.00 O ATOM 1365 CB LEU A 561 4.848 6.365 -10.536 1.00 0.00 C ATOM 1366 CG LEU A 561 5.932 5.946 -11.530 1.00 0.00 C ATOM 1367 CD1 LEU A 561 6.552 4.620 -11.117 1.00 0.00 C ATOM 1368 CD2 LEU A 561 5.359 5.854 -12.937 1.00 0.00 C ATOM 0 H LEU A 561 5.714 8.642 -9.706 1.00 0.00 H new ATOM 0 HA LEU A 561 3.900 7.777 -11.850 1.00 0.00 H new ATOM 0 HB2 LEU A 561 5.287 6.387 -9.538 1.00 0.00 H new ATOM 0 HB3 LEU A 561 4.075 5.597 -10.527 1.00 0.00 H new ATOM 0 HG LEU A 561 6.714 6.705 -11.527 1.00 0.00 H new ATOM 0 HD11 LEU A 561 7.321 4.338 -11.836 1.00 0.00 H new ATOM 0 HD12 LEU A 561 6.999 4.720 -10.128 1.00 0.00 H new ATOM 0 HD13 LEU A 561 5.781 3.850 -11.090 1.00 0.00 H new ATOM 0 HD21 LEU A 561 6.145 5.555 -13.631 1.00 0.00 H new ATOM 0 HD22 LEU A 561 4.557 5.116 -12.956 1.00 0.00 H new ATOM 0 HD23 LEU A 561 4.964 6.826 -13.233 1.00 0.00 H new ATOM 1380 N VAL A 562 3.068 7.662 -8.645 1.00 0.00 N ATOM 1381 CA VAL A 562 1.941 7.762 -7.725 1.00 0.00 C ATOM 1382 C VAL A 562 1.017 8.912 -8.112 1.00 0.00 C ATOM 1383 O VAL A 562 -0.202 8.816 -7.969 1.00 0.00 O ATOM 1384 CB VAL A 562 2.417 7.967 -6.274 1.00 0.00 C ATOM 1385 CG1 VAL A 562 1.228 8.125 -5.340 1.00 0.00 C ATOM 1386 CG2 VAL A 562 3.300 6.809 -5.835 1.00 0.00 C ATOM 0 H VAL A 562 3.958 7.442 -8.198 1.00 0.00 H new ATOM 0 HA VAL A 562 1.394 6.821 -7.791 1.00 0.00 H new ATOM 0 HB VAL A 562 3.008 8.882 -6.229 1.00 0.00 H new ATOM 0 HG11 VAL A 562 1.583 8.269 -4.320 1.00 0.00 H new ATOM 0 HG12 VAL A 562 0.639 8.990 -5.644 1.00 0.00 H new ATOM 0 HG13 VAL A 562 0.608 7.230 -5.385 1.00 0.00 H new ATOM 0 HG21 VAL A 562 3.627 6.970 -4.808 1.00 0.00 H new ATOM 0 HG22 VAL A 562 2.736 5.878 -5.894 1.00 0.00 H new ATOM 0 HG23 VAL A 562 4.171 6.748 -6.488 1.00 0.00 H new ATOM 1396 N ARG A 563 1.606 9.997 -8.604 1.00 0.00 N ATOM 1397 CA ARG A 563 0.835 11.165 -9.012 1.00 0.00 C ATOM 1398 C ARG A 563 0.174 10.935 -10.368 1.00 0.00 C ATOM 1399 O ARG A 563 -0.999 11.252 -10.558 1.00 0.00 O ATOM 1400 CB ARG A 563 1.736 12.400 -9.074 1.00 0.00 C ATOM 1401 CG ARG A 563 0.971 13.704 -9.233 1.00 0.00 C ATOM 1402 CD ARG A 563 0.552 14.273 -7.887 1.00 0.00 C ATOM 1403 NE ARG A 563 -0.254 15.482 -8.030 1.00 0.00 N ATOM 1404 CZ ARG A 563 -0.431 16.367 -7.055 1.00 0.00 C ATOM 1405 NH1 ARG A 563 0.139 16.179 -5.873 1.00 0.00 N ATOM 1406 NH2 ARG A 563 -1.180 17.443 -7.262 1.00 0.00 N ATOM 0 H ARG A 563 2.614 10.091 -8.730 1.00 0.00 H new ATOM 0 HA ARG A 563 0.053 11.330 -8.271 1.00 0.00 H new ATOM 0 HB2 ARG A 563 2.335 12.448 -8.165 1.00 0.00 H new ATOM 0 HB3 ARG A 563 2.430 12.292 -9.907 1.00 0.00 H new ATOM 0 HG2 ARG A 563 1.592 14.430 -9.758 1.00 0.00 H new ATOM 0 HG3 ARG A 563 0.088 13.536 -9.849 1.00 0.00 H new ATOM 0 HD2 ARG A 563 -0.015 13.522 -7.337 1.00 0.00 H new ATOM 0 HD3 ARG A 563 1.440 14.497 -7.296 1.00 0.00 H new ATOM 0 HE ARG A 563 -0.706 15.657 -8.928 1.00 0.00 H new ATOM 0 HH11 ARG A 563 0.715 15.353 -5.710 1.00 0.00 H new ATOM 0 HH12 ARG A 563 0.001 16.860 -5.126 1.00 0.00 H new ATOM 0 HH21 ARG A 563 -1.620 17.591 -8.170 1.00 0.00 H new ATOM 0 HH22 ARG A 563 -1.315 18.122 -6.513 1.00 0.00 H new ATOM 1420 N GLN A 564 0.937 10.383 -11.305 1.00 0.00 N ATOM 1421 CA GLN A 564 0.425 10.111 -12.644 1.00 0.00 C ATOM 1422 C GLN A 564 -0.707 9.091 -12.597 1.00 0.00 C ATOM 1423 O GLN A 564 -1.833 9.381 -13.000 1.00 0.00 O ATOM 1424 CB GLN A 564 1.549 9.603 -13.549 1.00 0.00 C ATOM 1425 CG GLN A 564 2.287 10.711 -14.283 1.00 0.00 C ATOM 1426 CD GLN A 564 2.924 10.233 -15.573 1.00 0.00 C ATOM 1427 OE1 GLN A 564 2.383 10.439 -16.660 1.00 0.00 O ATOM 1428 NE2 GLN A 564 4.080 9.591 -15.459 1.00 0.00 N ATOM 0 H GLN A 564 1.911 10.115 -11.163 1.00 0.00 H new ATOM 0 HA GLN A 564 0.033 11.043 -13.052 1.00 0.00 H new ATOM 0 HB2 GLN A 564 2.262 9.040 -12.947 1.00 0.00 H new ATOM 0 HB3 GLN A 564 1.131 8.910 -14.280 1.00 0.00 H new ATOM 0 HG2 GLN A 564 1.592 11.521 -14.504 1.00 0.00 H new ATOM 0 HG3 GLN A 564 3.058 11.122 -13.632 1.00 0.00 H new ATOM 0 HE21 GLN A 564 4.492 9.443 -14.538 1.00 0.00 H new ATOM 0 HE22 GLN A 564 4.556 9.246 -16.292 1.00 0.00 H new ATOM 1437 N GLN A 565 -0.400 7.895 -12.104 1.00 0.00 N ATOM 1438 CA GLN A 565 -1.392 6.832 -12.006 1.00 0.00 C ATOM 1439 C GLN A 565 -2.125 6.892 -10.670 1.00 0.00 C ATOM 1440 O GLN A 565 -2.583 5.871 -10.156 1.00 0.00 O ATOM 1441 CB GLN A 565 -0.724 5.465 -12.173 1.00 0.00 C ATOM 1442 CG GLN A 565 0.360 5.445 -13.238 1.00 0.00 C ATOM 1443 CD GLN A 565 0.460 4.107 -13.944 1.00 0.00 C ATOM 1444 OE1 GLN A 565 0.547 3.033 -13.167 1.00 0.00 O flip ATOM 1445 NE2 GLN A 565 0.459 4.038 -15.173 1.00 0.00 N flip ATOM 0 H GLN A 565 0.528 7.639 -11.767 1.00 0.00 H new ATOM 0 HA GLN A 565 -2.119 6.974 -12.805 1.00 0.00 H new ATOM 0 HB2 GLN A 565 -0.291 5.162 -11.220 1.00 0.00 H new ATOM 0 HB3 GLN A 565 -1.485 4.726 -12.426 1.00 0.00 H new ATOM 0 HG2 GLN A 565 0.157 6.225 -13.972 1.00 0.00 H new ATOM 0 HG3 GLN A 565 1.320 5.682 -12.779 1.00 0.00 H new ATOM 0 HE21 GLN A 565 0.390 4.889 -15.732 1.00 0.00 H new ATOM 0 HE22 GLN A 565 0.527 3.130 -15.633 1.00 0.00 H new ATOM 1454 N ILE A 566 -2.232 8.094 -10.114 1.00 0.00 N ATOM 1455 CA ILE A 566 -2.911 8.287 -8.838 1.00 0.00 C ATOM 1456 C ILE A 566 -4.331 7.735 -8.882 1.00 0.00 C ATOM 1457 O ILE A 566 -4.800 7.123 -7.923 1.00 0.00 O ATOM 1458 CB ILE A 566 -2.963 9.776 -8.448 1.00 0.00 C ATOM 1459 CG1 ILE A 566 -3.703 9.952 -7.120 1.00 0.00 C ATOM 1460 CG2 ILE A 566 -3.633 10.588 -9.546 1.00 0.00 C ATOM 1461 CD1 ILE A 566 -2.968 9.362 -5.937 1.00 0.00 C ATOM 0 H ILE A 566 -1.858 8.948 -10.526 1.00 0.00 H new ATOM 0 HA ILE A 566 -2.336 7.743 -8.089 1.00 0.00 H new ATOM 0 HB ILE A 566 -1.943 10.140 -8.325 1.00 0.00 H new ATOM 0 HG12 ILE A 566 -3.867 11.015 -6.943 1.00 0.00 H new ATOM 0 HG13 ILE A 566 -4.686 9.486 -7.196 1.00 0.00 H new ATOM 0 HG21 ILE A 566 -3.662 11.638 -9.256 1.00 0.00 H new ATOM 0 HG22 ILE A 566 -3.068 10.483 -10.472 1.00 0.00 H new ATOM 0 HG23 ILE A 566 -4.650 10.225 -9.698 1.00 0.00 H new ATOM 0 HD11 ILE A 566 -3.550 9.523 -5.030 1.00 0.00 H new ATOM 0 HD12 ILE A 566 -2.827 8.292 -6.093 1.00 0.00 H new ATOM 0 HD13 ILE A 566 -1.996 9.845 -5.835 1.00 0.00 H new ATOM 1473 N ASN A 567 -5.011 7.954 -10.003 1.00 0.00 N ATOM 1474 CA ASN A 567 -6.379 7.476 -10.173 1.00 0.00 C ATOM 1475 C ASN A 567 -6.462 5.971 -9.942 1.00 0.00 C ATOM 1476 O ASN A 567 -7.351 5.489 -9.240 1.00 0.00 O ATOM 1477 CB ASN A 567 -6.890 7.817 -11.574 1.00 0.00 C ATOM 1478 CG ASN A 567 -6.746 9.292 -11.899 1.00 0.00 C ATOM 1479 OD1 ASN A 567 -7.084 10.153 -11.087 1.00 0.00 O ATOM 1480 ND2 ASN A 567 -6.243 9.589 -13.091 1.00 0.00 N ATOM 0 H ASN A 567 -4.638 8.459 -10.807 1.00 0.00 H new ATOM 0 HA ASN A 567 -7.006 7.974 -9.433 1.00 0.00 H new ATOM 0 HB2 ASN A 567 -6.341 7.230 -12.311 1.00 0.00 H new ATOM 0 HB3 ASN A 567 -7.939 7.531 -11.655 1.00 0.00 H new ATOM 0 HD21 ASN A 567 -6.123 10.564 -13.365 1.00 0.00 H new ATOM 0 HD22 ASN A 567 -5.976 8.842 -13.732 1.00 0.00 H new ATOM 1487 N GLU A 568 -5.530 5.233 -10.537 1.00 0.00 N ATOM 1488 CA GLU A 568 -5.499 3.782 -10.395 1.00 0.00 C ATOM 1489 C GLU A 568 -5.314 3.382 -8.934 1.00 0.00 C ATOM 1490 O GLU A 568 -6.052 2.548 -8.410 1.00 0.00 O ATOM 1491 CB GLU A 568 -4.372 3.189 -11.244 1.00 0.00 C ATOM 1492 CG GLU A 568 -4.370 1.670 -11.276 1.00 0.00 C ATOM 1493 CD GLU A 568 -5.562 1.099 -12.018 1.00 0.00 C ATOM 1494 OE1 GLU A 568 -6.701 1.276 -11.538 1.00 0.00 O ATOM 1495 OE2 GLU A 568 -5.356 0.477 -13.081 1.00 0.00 O ATOM 0 H GLU A 568 -4.787 5.616 -11.122 1.00 0.00 H new ATOM 0 HA GLU A 568 -6.454 3.388 -10.743 1.00 0.00 H new ATOM 0 HB2 GLU A 568 -4.459 3.566 -12.263 1.00 0.00 H new ATOM 0 HB3 GLU A 568 -3.415 3.537 -10.857 1.00 0.00 H new ATOM 0 HG2 GLU A 568 -3.452 1.322 -11.749 1.00 0.00 H new ATOM 0 HG3 GLU A 568 -4.366 1.289 -10.255 1.00 0.00 H new ATOM 1502 N MET A 569 -4.323 3.982 -8.283 1.00 0.00 N ATOM 1503 CA MET A 569 -4.041 3.689 -6.883 1.00 0.00 C ATOM 1504 C MET A 569 -5.292 3.867 -6.028 1.00 0.00 C ATOM 1505 O MET A 569 -5.648 2.989 -5.241 1.00 0.00 O ATOM 1506 CB MET A 569 -2.922 4.595 -6.365 1.00 0.00 C ATOM 1507 CG MET A 569 -1.625 4.465 -7.146 1.00 0.00 C ATOM 1508 SD MET A 569 -0.225 5.220 -6.297 1.00 0.00 S ATOM 1509 CE MET A 569 0.368 3.837 -5.325 1.00 0.00 C ATOM 0 H MET A 569 -3.702 4.674 -8.703 1.00 0.00 H new ATOM 0 HA MET A 569 -3.719 2.650 -6.813 1.00 0.00 H new ATOM 0 HB2 MET A 569 -3.258 5.631 -6.404 1.00 0.00 H new ATOM 0 HB3 MET A 569 -2.731 4.360 -5.318 1.00 0.00 H new ATOM 0 HG2 MET A 569 -1.414 3.410 -7.319 1.00 0.00 H new ATOM 0 HG3 MET A 569 -1.746 4.931 -8.124 1.00 0.00 H new ATOM 0 HE1 MET A 569 1.427 3.974 -5.105 1.00 0.00 H new ATOM 0 HE2 MET A 569 -0.193 3.781 -4.392 1.00 0.00 H new ATOM 0 HE3 MET A 569 0.231 2.913 -5.886 1.00 0.00 H new ATOM 1519 N HIS A 570 -5.955 5.007 -6.187 1.00 0.00 N ATOM 1520 CA HIS A 570 -7.167 5.299 -5.430 1.00 0.00 C ATOM 1521 C HIS A 570 -8.200 4.192 -5.610 1.00 0.00 C ATOM 1522 O HIS A 570 -8.837 3.760 -4.648 1.00 0.00 O ATOM 1523 CB HIS A 570 -7.757 6.640 -5.868 1.00 0.00 C ATOM 1524 CG HIS A 570 -9.205 6.799 -5.520 1.00 0.00 C ATOM 1525 ND1 HIS A 570 -10.077 7.569 -6.261 1.00 0.00 N ATOM 1526 CD2 HIS A 570 -9.934 6.281 -4.504 1.00 0.00 C ATOM 1527 CE1 HIS A 570 -11.279 7.519 -5.714 1.00 0.00 C ATOM 1528 NE2 HIS A 570 -11.219 6.743 -4.647 1.00 0.00 N ATOM 0 H HIS A 570 -5.674 5.744 -6.833 1.00 0.00 H new ATOM 0 HA HIS A 570 -6.901 5.355 -4.374 1.00 0.00 H new ATOM 0 HB2 HIS A 570 -7.189 7.446 -5.404 1.00 0.00 H new ATOM 0 HB3 HIS A 570 -7.637 6.746 -6.946 1.00 0.00 H new ATOM 0 HD1 HIS A 570 -9.832 8.095 -7.100 1.00 0.00 H new ATOM 0 HD2 HIS A 570 -9.572 5.626 -3.725 1.00 0.00 H new ATOM 0 HE1 HIS A 570 -12.160 8.026 -6.078 1.00 0.00 H new ATOM 1536 N LEU A 571 -8.363 3.736 -6.847 1.00 0.00 N ATOM 1537 CA LEU A 571 -9.320 2.679 -7.153 1.00 0.00 C ATOM 1538 C LEU A 571 -9.021 1.422 -6.342 1.00 0.00 C ATOM 1539 O LEU A 571 -9.919 0.828 -5.743 1.00 0.00 O ATOM 1540 CB LEU A 571 -9.290 2.354 -8.648 1.00 0.00 C ATOM 1541 CG LEU A 571 -9.851 3.429 -9.580 1.00 0.00 C ATOM 1542 CD1 LEU A 571 -9.534 3.097 -11.030 1.00 0.00 C ATOM 1543 CD2 LEU A 571 -11.352 3.576 -9.380 1.00 0.00 C ATOM 0 H LEU A 571 -7.845 4.082 -7.654 1.00 0.00 H new ATOM 0 HA LEU A 571 -10.315 3.034 -6.884 1.00 0.00 H new ATOM 0 HB2 LEU A 571 -8.258 2.155 -8.935 1.00 0.00 H new ATOM 0 HB3 LEU A 571 -9.849 1.433 -8.810 1.00 0.00 H new ATOM 0 HG LEU A 571 -9.377 4.379 -9.335 1.00 0.00 H new ATOM 0 HD11 LEU A 571 -9.941 3.873 -11.678 1.00 0.00 H new ATOM 0 HD12 LEU A 571 -8.454 3.043 -11.163 1.00 0.00 H new ATOM 0 HD13 LEU A 571 -9.980 2.137 -11.289 1.00 0.00 H new ATOM 0 HD21 LEU A 571 -11.735 4.345 -10.051 1.00 0.00 H new ATOM 0 HD22 LEU A 571 -11.843 2.627 -9.598 1.00 0.00 H new ATOM 0 HD23 LEU A 571 -11.555 3.861 -8.348 1.00 0.00 H new ATOM 1555 N LEU A 572 -7.754 1.022 -6.326 1.00 0.00 N ATOM 1556 CA LEU A 572 -7.336 -0.164 -5.586 1.00 0.00 C ATOM 1557 C LEU A 572 -7.771 -0.077 -4.127 1.00 0.00 C ATOM 1558 O LEU A 572 -8.455 -0.966 -3.619 1.00 0.00 O ATOM 1559 CB LEU A 572 -5.817 -0.331 -5.668 1.00 0.00 C ATOM 1560 CG LEU A 572 -5.216 -0.322 -7.074 1.00 0.00 C ATOM 1561 CD1 LEU A 572 -3.700 -0.419 -7.007 1.00 0.00 C ATOM 1562 CD2 LEU A 572 -5.789 -1.460 -7.906 1.00 0.00 C ATOM 0 H LEU A 572 -6.999 1.501 -6.817 1.00 0.00 H new ATOM 0 HA LEU A 572 -7.816 -1.032 -6.038 1.00 0.00 H new ATOM 0 HB2 LEU A 572 -5.352 0.468 -5.091 1.00 0.00 H new ATOM 0 HB3 LEU A 572 -5.548 -1.271 -5.186 1.00 0.00 H new ATOM 0 HG LEU A 572 -5.478 0.621 -7.555 1.00 0.00 H new ATOM 0 HD11 LEU A 572 -3.290 -0.411 -8.017 1.00 0.00 H new ATOM 0 HD12 LEU A 572 -3.305 0.430 -6.449 1.00 0.00 H new ATOM 0 HD13 LEU A 572 -3.416 -1.345 -6.507 1.00 0.00 H new ATOM 0 HD21 LEU A 572 -5.350 -1.438 -8.904 1.00 0.00 H new ATOM 0 HD22 LEU A 572 -5.558 -2.412 -7.428 1.00 0.00 H new ATOM 0 HD23 LEU A 572 -6.870 -1.346 -7.983 1.00 0.00 H new ATOM 1574 N ILE A 573 -7.372 1.000 -3.459 1.00 0.00 N ATOM 1575 CA ILE A 573 -7.724 1.205 -2.059 1.00 0.00 C ATOM 1576 C ILE A 573 -9.218 0.997 -1.832 1.00 0.00 C ATOM 1577 O ILE A 573 -9.622 0.300 -0.902 1.00 0.00 O ATOM 1578 CB ILE A 573 -7.334 2.616 -1.581 1.00 0.00 C ATOM 1579 CG1 ILE A 573 -5.865 2.898 -1.899 1.00 0.00 C ATOM 1580 CG2 ILE A 573 -7.596 2.760 -0.089 1.00 0.00 C ATOM 1581 CD1 ILE A 573 -4.921 1.830 -1.393 1.00 0.00 C ATOM 0 H ILE A 573 -6.805 1.744 -3.865 1.00 0.00 H new ATOM 0 HA ILE A 573 -7.165 0.468 -1.482 1.00 0.00 H new ATOM 0 HB ILE A 573 -7.947 3.346 -2.110 1.00 0.00 H new ATOM 0 HG12 ILE A 573 -5.747 2.994 -2.978 1.00 0.00 H new ATOM 0 HG13 ILE A 573 -5.585 3.856 -1.462 1.00 0.00 H new ATOM 0 HG21 ILE A 573 -7.316 3.762 0.235 1.00 0.00 H new ATOM 0 HG22 ILE A 573 -8.655 2.597 0.112 1.00 0.00 H new ATOM 0 HG23 ILE A 573 -7.006 2.024 0.457 1.00 0.00 H new ATOM 0 HD11 ILE A 573 -3.897 2.096 -1.654 1.00 0.00 H new ATOM 0 HD12 ILE A 573 -5.010 1.749 -0.310 1.00 0.00 H new ATOM 0 HD13 ILE A 573 -5.175 0.874 -1.850 1.00 0.00 H new ATOM 1593 N GLN A 574 -10.031 1.606 -2.689 1.00 0.00 N ATOM 1594 CA GLN A 574 -11.480 1.486 -2.582 1.00 0.00 C ATOM 1595 C GLN A 574 -11.912 0.025 -2.642 1.00 0.00 C ATOM 1596 O GLN A 574 -12.826 -0.391 -1.931 1.00 0.00 O ATOM 1597 CB GLN A 574 -12.162 2.278 -3.699 1.00 0.00 C ATOM 1598 CG GLN A 574 -11.776 3.748 -3.726 1.00 0.00 C ATOM 1599 CD GLN A 574 -12.583 4.582 -2.751 1.00 0.00 C ATOM 1600 OE1 GLN A 574 -12.204 4.537 -1.479 1.00 0.00 O flip ATOM 1601 NE2 GLN A 574 -13.537 5.259 -3.136 1.00 0.00 N flip ATOM 0 H GLN A 574 -9.711 2.187 -3.464 1.00 0.00 H new ATOM 0 HA GLN A 574 -11.783 1.895 -1.618 1.00 0.00 H new ATOM 0 HB2 GLN A 574 -11.910 1.827 -4.659 1.00 0.00 H new ATOM 0 HB3 GLN A 574 -13.243 2.197 -3.583 1.00 0.00 H new ATOM 0 HG2 GLN A 574 -10.716 3.846 -3.491 1.00 0.00 H new ATOM 0 HG3 GLN A 574 -11.916 4.138 -4.734 1.00 0.00 H new ATOM 0 HE21 GLN A 574 -13.793 5.264 -4.123 1.00 0.00 H new ATOM 0 HE22 GLN A 574 -14.071 5.815 -2.468 1.00 0.00 H new ATOM 1610 N GLN A 575 -11.249 -0.749 -3.495 1.00 0.00 N ATOM 1611 CA GLN A 575 -11.566 -2.164 -3.648 1.00 0.00 C ATOM 1612 C GLN A 575 -11.358 -2.913 -2.336 1.00 0.00 C ATOM 1613 O GLN A 575 -12.191 -3.726 -1.936 1.00 0.00 O ATOM 1614 CB GLN A 575 -10.702 -2.786 -4.747 1.00 0.00 C ATOM 1615 CG GLN A 575 -11.063 -2.313 -6.146 1.00 0.00 C ATOM 1616 CD GLN A 575 -10.315 -3.068 -7.227 1.00 0.00 C ATOM 1617 OE1 GLN A 575 -9.454 -2.509 -7.907 1.00 0.00 O ATOM 1618 NE2 GLN A 575 -10.641 -4.344 -7.393 1.00 0.00 N ATOM 0 H GLN A 575 -10.489 -0.420 -4.091 1.00 0.00 H new ATOM 0 HA GLN A 575 -12.616 -2.247 -3.930 1.00 0.00 H new ATOM 0 HB2 GLN A 575 -9.656 -2.551 -4.552 1.00 0.00 H new ATOM 0 HB3 GLN A 575 -10.798 -3.871 -4.703 1.00 0.00 H new ATOM 0 HG2 GLN A 575 -12.135 -2.432 -6.300 1.00 0.00 H new ATOM 0 HG3 GLN A 575 -10.844 -1.249 -6.234 1.00 0.00 H new ATOM 0 HE21 GLN A 575 -11.361 -4.767 -6.807 1.00 0.00 H new ATOM 0 HE22 GLN A 575 -10.172 -4.902 -8.107 1.00 0.00 H new ATOM 1627 N ALA A 576 -10.242 -2.633 -1.671 1.00 0.00 N ATOM 1628 CA ALA A 576 -9.926 -3.280 -0.403 1.00 0.00 C ATOM 1629 C ALA A 576 -10.958 -2.930 0.663 1.00 0.00 C ATOM 1630 O ALA A 576 -11.385 -3.791 1.433 1.00 0.00 O ATOM 1631 CB ALA A 576 -8.532 -2.882 0.058 1.00 0.00 C ATOM 0 H ALA A 576 -9.542 -1.963 -1.989 1.00 0.00 H new ATOM 0 HA ALA A 576 -9.952 -4.359 -0.556 1.00 0.00 H new ATOM 0 HB1 ALA A 576 -8.309 -3.372 1.006 1.00 0.00 H new ATOM 0 HB2 ALA A 576 -7.800 -3.188 -0.690 1.00 0.00 H new ATOM 0 HB3 ALA A 576 -8.487 -1.801 0.189 1.00 0.00 H new ATOM 1637 N ARG A 577 -11.355 -1.662 0.703 1.00 0.00 N ATOM 1638 CA ARG A 577 -12.336 -1.199 1.677 1.00 0.00 C ATOM 1639 C ARG A 577 -13.718 -1.767 1.369 1.00 0.00 C ATOM 1640 O ARG A 577 -14.446 -2.177 2.272 1.00 0.00 O ATOM 1641 CB ARG A 577 -12.392 0.330 1.688 1.00 0.00 C ATOM 1642 CG ARG A 577 -11.204 0.978 2.379 1.00 0.00 C ATOM 1643 CD ARG A 577 -11.436 2.462 2.612 1.00 0.00 C ATOM 1644 NE ARG A 577 -12.245 2.709 3.803 1.00 0.00 N ATOM 1645 CZ ARG A 577 -12.969 3.808 3.985 1.00 0.00 C ATOM 1646 NH1 ARG A 577 -12.986 4.756 3.058 1.00 0.00 N ATOM 1647 NH2 ARG A 577 -13.678 3.960 5.096 1.00 0.00 N ATOM 0 H ARG A 577 -11.012 -0.937 0.072 1.00 0.00 H new ATOM 0 HA ARG A 577 -12.028 -1.552 2.661 1.00 0.00 H new ATOM 0 HB2 ARG A 577 -12.445 0.691 0.661 1.00 0.00 H new ATOM 0 HB3 ARG A 577 -13.308 0.648 2.185 1.00 0.00 H new ATOM 0 HG2 ARG A 577 -11.022 0.483 3.333 1.00 0.00 H new ATOM 0 HG3 ARG A 577 -10.309 0.839 1.772 1.00 0.00 H new ATOM 0 HD2 ARG A 577 -10.476 2.967 2.715 1.00 0.00 H new ATOM 0 HD3 ARG A 577 -11.931 2.893 1.742 1.00 0.00 H new ATOM 0 HE ARG A 577 -12.255 1.999 4.535 1.00 0.00 H new ATOM 0 HH11 ARG A 577 -12.442 4.643 2.202 1.00 0.00 H new ATOM 0 HH12 ARG A 577 -13.543 5.599 3.200 1.00 0.00 H new ATOM 0 HH21 ARG A 577 -13.667 3.233 5.811 1.00 0.00 H new ATOM 0 HH22 ARG A 577 -14.234 4.804 5.235 1.00 0.00 H new ATOM 1661 N GLU A 578 -14.072 -1.788 0.087 1.00 0.00 N ATOM 1662 CA GLU A 578 -15.367 -2.305 -0.339 1.00 0.00 C ATOM 1663 C GLU A 578 -15.780 -3.505 0.509 1.00 0.00 C ATOM 1664 O GLU A 578 -16.907 -3.575 0.997 1.00 0.00 O ATOM 1665 CB GLU A 578 -15.323 -2.701 -1.816 1.00 0.00 C ATOM 1666 CG GLU A 578 -15.570 -1.540 -2.765 1.00 0.00 C ATOM 1667 CD GLU A 578 -17.014 -1.079 -2.759 1.00 0.00 C ATOM 1668 OE1 GLU A 578 -17.914 -1.944 -2.794 1.00 0.00 O ATOM 1669 OE2 GLU A 578 -17.244 0.148 -2.717 1.00 0.00 O ATOM 0 H GLU A 578 -13.480 -1.453 -0.673 1.00 0.00 H new ATOM 0 HA GLU A 578 -16.106 -1.515 -0.204 1.00 0.00 H new ATOM 0 HB2 GLU A 578 -14.350 -3.139 -2.037 1.00 0.00 H new ATOM 0 HB3 GLU A 578 -16.070 -3.474 -1.999 1.00 0.00 H new ATOM 0 HG2 GLU A 578 -14.925 -0.706 -2.488 1.00 0.00 H new ATOM 0 HG3 GLU A 578 -15.291 -1.837 -3.776 1.00 0.00 H new ATOM 1676 N MET A 579 -14.858 -4.447 0.679 1.00 0.00 N ATOM 1677 CA MET A 579 -15.125 -5.644 1.468 1.00 0.00 C ATOM 1678 C MET A 579 -15.112 -5.326 2.959 1.00 0.00 C ATOM 1679 O MET A 579 -14.381 -4.452 3.426 1.00 0.00 O ATOM 1680 CB MET A 579 -14.090 -6.727 1.156 1.00 0.00 C ATOM 1681 CG MET A 579 -12.653 -6.249 1.285 1.00 0.00 C ATOM 1682 SD MET A 579 -11.509 -7.586 1.681 1.00 0.00 S ATOM 1683 CE MET A 579 -11.993 -7.958 3.364 1.00 0.00 C ATOM 0 H MET A 579 -13.920 -4.405 0.281 1.00 0.00 H new ATOM 0 HA MET A 579 -16.116 -6.011 1.202 1.00 0.00 H new ATOM 0 HB2 MET A 579 -14.245 -7.571 1.828 1.00 0.00 H new ATOM 0 HB3 MET A 579 -14.253 -7.093 0.142 1.00 0.00 H new ATOM 0 HG2 MET A 579 -12.346 -5.778 0.351 1.00 0.00 H new ATOM 0 HG3 MET A 579 -12.596 -5.486 2.061 1.00 0.00 H new ATOM 0 HE1 MET A 579 -11.424 -8.814 3.726 1.00 0.00 H new ATOM 0 HE2 MET A 579 -11.793 -7.095 3.999 1.00 0.00 H new ATOM 0 HE3 MET A 579 -13.057 -8.192 3.393 1.00 0.00 H new