USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 703 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 852 ASN : amide:sc= 0.626 K(o=1.8,f=-7.2!) USER MOD Set 1.2: A 857 LYS NZ :NH3+ 170:sc= 1.21 (180deg=0) USER MOD Set 2.1: A 826 TYR OH : rot 30:sc= -0.154 USER MOD Set 2.2: A 880 SER OG : rot 180:sc= -0.242 USER MOD Set 3.1: A 810 TYR OH : rot 130:sc= 0 USER MOD Set 3.2: A 850 MET CE :methyl -133:sc= 0 (180deg=-0.0259) USER MOD Single : A 802 ASN : amide:sc= -0.0771 K(o=-0.077,f=-0.7) USER MOD Single : A 804 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 806 HIS : no HD1:sc= -0.384 X(o=-0.38,f=0.032) USER MOD Single : A 808 SER OG : rot 82:sc= 0.284 USER MOD Single : A 811 TYR OH : rot 159:sc= -2.42! USER MOD Single : A 817 THR OG1 : rot -85:sc= 1.27 USER MOD Single : A 823 LYS NZ :NH3+ 166:sc=-0.00233 (180deg=-0.11) USER MOD Single : A 827 THR OG1 : rot 74:sc= 1.29 USER MOD Single : A 831 THR OG1 : rot 173:sc= -0.801 USER MOD Single : A 832 SER OG : rot 180:sc= 0 USER MOD Single : A 839 GLN : amide:sc= -0.379 X(o=-0.38,f=-0.42) USER MOD Single : A 840 THR OG1 : rot 82:sc= 1.19 USER MOD Single : A 842 HIS : no HE2:sc= 0.797 K(o=0.8,f=-6.4!) USER MOD Single : A 845 LYS NZ :NH3+ -131:sc= 1.18 (180deg=-1.49) USER MOD Single : A 858 GLN : amide:sc= -0.237 K(o=-0.24,f=-3.1!) USER MOD Single : A 860 CYS SG : rot 74:sc= 1.08 USER MOD Single : A 862 THR OG1 : rot 79:sc= 1 USER MOD Single : A 865 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 870 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 877 LYS NZ :NH3+ -131:sc= 0.474 (180deg=-0.902) USER MOD Single : A 878 TYR OH : rot 180:sc= 0 USER MOD Single : A 884 SER OG : rot -89:sc= -0.352 USER MOD Single : A 885 TYR OH : rot -90:sc= -1.12 USER MOD Single : A 887 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 888 SER OG : rot -91:sc= 1.29 USER MOD ----------------------------------------------------------------- ATOM 406 N ASN A 802 -9.326 -7.675 1.642 1.00 0.00 N ATOM 407 CA ASN A 802 -8.927 -8.362 0.417 1.00 0.00 C ATOM 408 C ASN A 802 -9.916 -8.070 -0.712 1.00 0.00 C ATOM 409 O ASN A 802 -9.533 -7.986 -1.883 1.00 0.00 O ATOM 410 CB ASN A 802 -8.796 -9.875 0.681 1.00 0.00 C ATOM 411 CG ASN A 802 -9.540 -10.757 -0.318 1.00 0.00 C ATOM 412 OD1 ASN A 802 -10.772 -10.825 -0.314 1.00 0.00 O ATOM 413 ND2 ASN A 802 -8.795 -11.458 -1.160 1.00 0.00 N ATOM 0 HA ASN A 802 -7.953 -7.989 0.100 1.00 0.00 H new ATOM 0 HB2 ASN A 802 -7.740 -10.143 0.668 1.00 0.00 H new ATOM 0 HB3 ASN A 802 -9.167 -10.090 1.683 1.00 0.00 H new ATOM 0 HD21 ASN A 802 -9.238 -12.081 -1.836 1.00 0.00 H new ATOM 0 HD22 ASN A 802 -7.779 -11.375 -1.133 1.00 0.00 H new ATOM 420 N ALA A 803 -11.177 -7.882 -0.346 1.00 0.00 N ATOM 421 CA ALA A 803 -12.234 -7.637 -1.317 1.00 0.00 C ATOM 422 C ALA A 803 -12.109 -6.247 -1.928 1.00 0.00 C ATOM 423 O ALA A 803 -12.097 -6.102 -3.151 1.00 0.00 O ATOM 424 CB ALA A 803 -13.598 -7.814 -0.671 1.00 0.00 C ATOM 0 H ALA A 803 -11.494 -7.895 0.623 1.00 0.00 H new ATOM 0 HA ALA A 803 -12.130 -8.367 -2.120 1.00 0.00 H new ATOM 0 HB1 ALA A 803 -14.377 -7.627 -1.410 1.00 0.00 H new ATOM 0 HB2 ALA A 803 -13.692 -8.832 -0.293 1.00 0.00 H new ATOM 0 HB3 ALA A 803 -13.704 -7.110 0.154 1.00 0.00 H new ATOM 430 N GLN A 804 -11.998 -5.229 -1.081 1.00 0.00 N ATOM 431 CA GLN A 804 -11.893 -3.857 -1.559 1.00 0.00 C ATOM 432 C GLN A 804 -10.572 -3.643 -2.293 1.00 0.00 C ATOM 433 O GLN A 804 -10.524 -2.953 -3.310 1.00 0.00 O ATOM 434 CB GLN A 804 -12.042 -2.858 -0.403 1.00 0.00 C ATOM 435 CG GLN A 804 -10.945 -2.940 0.645 1.00 0.00 C ATOM 436 CD GLN A 804 -11.261 -2.121 1.879 1.00 0.00 C ATOM 437 OE1 GLN A 804 -11.421 -2.660 2.972 1.00 0.00 O ATOM 438 NE2 GLN A 804 -11.365 -0.812 1.711 1.00 0.00 N ATOM 0 H GLN A 804 -11.979 -5.328 -0.066 1.00 0.00 H new ATOM 0 HA GLN A 804 -12.708 -3.680 -2.261 1.00 0.00 H new ATOM 0 HB2 GLN A 804 -12.061 -1.848 -0.812 1.00 0.00 H new ATOM 0 HB3 GLN A 804 -13.004 -3.024 0.082 1.00 0.00 H new ATOM 0 HG2 GLN A 804 -10.798 -3.981 0.932 1.00 0.00 H new ATOM 0 HG3 GLN A 804 -10.007 -2.593 0.212 1.00 0.00 H new ATOM 0 HE21 GLN A 804 -11.225 -0.404 0.787 1.00 0.00 H new ATOM 0 HE22 GLN A 804 -11.585 -0.212 2.506 1.00 0.00 H new ATOM 447 N LEU A 805 -9.508 -4.265 -1.791 1.00 0.00 N ATOM 448 CA LEU A 805 -8.203 -4.171 -2.425 1.00 0.00 C ATOM 449 C LEU A 805 -8.256 -4.786 -3.820 1.00 0.00 C ATOM 450 O LEU A 805 -7.670 -4.262 -4.769 1.00 0.00 O ATOM 451 CB LEU A 805 -7.149 -4.862 -1.547 1.00 0.00 C ATOM 452 CG LEU A 805 -5.882 -5.313 -2.250 1.00 0.00 C ATOM 453 CD1 LEU A 805 -4.841 -4.208 -2.242 1.00 0.00 C ATOM 454 CD2 LEU A 805 -5.332 -6.570 -1.595 1.00 0.00 C ATOM 0 H LEU A 805 -9.528 -4.838 -0.948 1.00 0.00 H new ATOM 0 HA LEU A 805 -7.922 -3.123 -2.531 1.00 0.00 H new ATOM 0 HB2 LEU A 805 -6.871 -4.179 -0.744 1.00 0.00 H new ATOM 0 HB3 LEU A 805 -7.610 -5.732 -1.080 1.00 0.00 H new ATOM 0 HG LEU A 805 -6.127 -5.542 -3.287 1.00 0.00 H new ATOM 0 HD11 LEU A 805 -3.941 -4.552 -2.751 1.00 0.00 H new ATOM 0 HD12 LEU A 805 -5.236 -3.332 -2.757 1.00 0.00 H new ATOM 0 HD13 LEU A 805 -4.598 -3.945 -1.213 1.00 0.00 H new ATOM 0 HD21 LEU A 805 -4.423 -6.881 -2.110 1.00 0.00 H new ATOM 0 HD22 LEU A 805 -5.104 -6.365 -0.549 1.00 0.00 H new ATOM 0 HD23 LEU A 805 -6.074 -7.366 -1.655 1.00 0.00 H new ATOM 466 N HIS A 806 -8.993 -5.882 -3.940 1.00 0.00 N ATOM 467 CA HIS A 806 -9.198 -6.537 -5.226 1.00 0.00 C ATOM 468 C HIS A 806 -10.055 -5.667 -6.146 1.00 0.00 C ATOM 469 O HIS A 806 -9.655 -5.353 -7.264 1.00 0.00 O ATOM 470 CB HIS A 806 -9.880 -7.892 -5.019 1.00 0.00 C ATOM 471 CG HIS A 806 -9.564 -8.911 -6.073 1.00 0.00 C ATOM 472 ND1 HIS A 806 -10.417 -9.941 -6.395 1.00 0.00 N ATOM 473 CD2 HIS A 806 -8.485 -9.057 -6.875 1.00 0.00 C ATOM 474 CE1 HIS A 806 -9.871 -10.681 -7.341 1.00 0.00 C ATOM 475 NE2 HIS A 806 -8.698 -10.164 -7.653 1.00 0.00 N ATOM 0 H HIS A 806 -9.462 -6.339 -3.158 1.00 0.00 H new ATOM 0 HA HIS A 806 -8.225 -6.687 -5.694 1.00 0.00 H new ATOM 0 HB2 HIS A 806 -9.586 -8.289 -4.047 1.00 0.00 H new ATOM 0 HB3 HIS A 806 -10.959 -7.741 -4.988 1.00 0.00 H new ATOM 0 HD2 HIS A 806 -7.615 -8.418 -6.898 1.00 0.00 H new ATOM 0 HE1 HIS A 806 -10.310 -11.562 -7.785 1.00 0.00 H new ATOM 0 HE2 HIS A 806 -8.056 -10.528 -8.357 1.00 0.00 H new ATOM 484 N ALA A 807 -11.220 -5.261 -5.648 1.00 0.00 N ATOM 485 CA ALA A 807 -12.208 -4.546 -6.453 1.00 0.00 C ATOM 486 C ALA A 807 -11.706 -3.180 -6.920 1.00 0.00 C ATOM 487 O ALA A 807 -11.922 -2.796 -8.072 1.00 0.00 O ATOM 488 CB ALA A 807 -13.503 -4.392 -5.673 1.00 0.00 C ATOM 0 H ALA A 807 -11.505 -5.417 -4.681 1.00 0.00 H new ATOM 0 HA ALA A 807 -12.388 -5.142 -7.348 1.00 0.00 H new ATOM 0 HB1 ALA A 807 -14.233 -3.858 -6.281 1.00 0.00 H new ATOM 0 HB2 ALA A 807 -13.894 -5.377 -5.419 1.00 0.00 H new ATOM 0 HB3 ALA A 807 -13.312 -3.830 -4.759 1.00 0.00 H new ATOM 494 N SER A 808 -11.037 -2.441 -6.038 1.00 0.00 N ATOM 495 CA SER A 808 -10.549 -1.108 -6.379 1.00 0.00 C ATOM 496 C SER A 808 -9.306 -1.176 -7.273 1.00 0.00 C ATOM 497 O SER A 808 -8.701 -0.151 -7.591 1.00 0.00 O ATOM 498 CB SER A 808 -10.252 -0.310 -5.109 1.00 0.00 C ATOM 499 OG SER A 808 -11.388 -0.270 -4.257 1.00 0.00 O ATOM 0 H SER A 808 -10.822 -2.741 -5.087 1.00 0.00 H new ATOM 0 HA SER A 808 -11.333 -0.599 -6.941 1.00 0.00 H new ATOM 0 HB2 SER A 808 -9.412 -0.760 -4.580 1.00 0.00 H new ATOM 0 HB3 SER A 808 -9.955 0.705 -5.374 1.00 0.00 H new ATOM 0 HG SER A 808 -11.431 -1.095 -3.730 1.00 0.00 H new ATOM 505 N GLY A 809 -8.915 -2.389 -7.653 1.00 0.00 N ATOM 506 CA GLY A 809 -7.850 -2.564 -8.622 1.00 0.00 C ATOM 507 C GLY A 809 -6.459 -2.411 -8.036 1.00 0.00 C ATOM 508 O GLY A 809 -5.466 -2.682 -8.710 1.00 0.00 O ATOM 0 H GLY A 809 -9.320 -3.258 -7.304 1.00 0.00 H new ATOM 0 HA2 GLY A 809 -7.938 -3.553 -9.071 1.00 0.00 H new ATOM 0 HA3 GLY A 809 -7.978 -1.837 -9.424 1.00 0.00 H new ATOM 512 N TYR A 810 -6.373 -2.009 -6.775 1.00 0.00 N ATOM 513 CA TYR A 810 -5.079 -1.776 -6.150 1.00 0.00 C ATOM 514 C TYR A 810 -4.430 -3.091 -5.736 1.00 0.00 C ATOM 515 O TYR A 810 -3.331 -3.115 -5.182 1.00 0.00 O ATOM 516 CB TYR A 810 -5.209 -0.819 -4.966 1.00 0.00 C ATOM 517 CG TYR A 810 -4.587 0.531 -5.247 1.00 0.00 C ATOM 518 CD1 TYR A 810 -4.503 1.011 -6.549 1.00 0.00 C ATOM 519 CD2 TYR A 810 -4.063 1.315 -4.227 1.00 0.00 C ATOM 520 CE1 TYR A 810 -3.927 2.233 -6.827 1.00 0.00 C ATOM 521 CE2 TYR A 810 -3.478 2.541 -4.498 1.00 0.00 C ATOM 522 CZ TYR A 810 -3.411 2.993 -5.801 1.00 0.00 C ATOM 523 OH TYR A 810 -2.818 4.205 -6.085 1.00 0.00 O ATOM 0 H TYR A 810 -7.176 -1.839 -6.170 1.00 0.00 H new ATOM 0 HA TYR A 810 -4.427 -1.304 -6.885 1.00 0.00 H new ATOM 0 HB2 TYR A 810 -6.263 -0.687 -4.723 1.00 0.00 H new ATOM 0 HB3 TYR A 810 -4.733 -1.261 -4.091 1.00 0.00 H new ATOM 0 HD1 TYR A 810 -4.897 0.415 -7.359 1.00 0.00 H new ATOM 0 HD2 TYR A 810 -4.112 0.963 -3.207 1.00 0.00 H new ATOM 0 HE1 TYR A 810 -3.881 2.592 -7.844 1.00 0.00 H new ATOM 0 HE2 TYR A 810 -3.076 3.140 -3.694 1.00 0.00 H new ATOM 0 HH TYR A 810 -3.192 4.897 -5.501 1.00 0.00 H new ATOM 533 N TYR A 811 -5.121 -4.185 -6.029 1.00 0.00 N ATOM 534 CA TYR A 811 -4.564 -5.521 -5.886 1.00 0.00 C ATOM 535 C TYR A 811 -3.331 -5.661 -6.772 1.00 0.00 C ATOM 536 O TYR A 811 -2.422 -6.438 -6.480 1.00 0.00 O ATOM 537 CB TYR A 811 -5.609 -6.567 -6.280 1.00 0.00 C ATOM 538 CG TYR A 811 -5.415 -7.921 -5.637 1.00 0.00 C ATOM 539 CD1 TYR A 811 -4.604 -8.882 -6.228 1.00 0.00 C ATOM 540 CD2 TYR A 811 -6.062 -8.249 -4.453 1.00 0.00 C ATOM 541 CE1 TYR A 811 -4.439 -10.126 -5.652 1.00 0.00 C ATOM 542 CE2 TYR A 811 -5.906 -9.493 -3.874 1.00 0.00 C ATOM 543 CZ TYR A 811 -5.092 -10.427 -4.477 1.00 0.00 C ATOM 544 OH TYR A 811 -4.943 -11.673 -3.911 1.00 0.00 O ATOM 0 H TYR A 811 -6.082 -4.170 -6.372 1.00 0.00 H new ATOM 0 HA TYR A 811 -4.278 -5.680 -4.846 1.00 0.00 H new ATOM 0 HB2 TYR A 811 -6.598 -6.192 -6.016 1.00 0.00 H new ATOM 0 HB3 TYR A 811 -5.593 -6.688 -7.363 1.00 0.00 H new ATOM 0 HD1 TYR A 811 -4.095 -8.652 -7.152 1.00 0.00 H new ATOM 0 HD2 TYR A 811 -6.699 -7.518 -3.976 1.00 0.00 H new ATOM 0 HE1 TYR A 811 -3.801 -10.860 -6.121 1.00 0.00 H new ATOM 0 HE2 TYR A 811 -6.419 -9.732 -2.954 1.00 0.00 H new ATOM 0 HH TYR A 811 -5.165 -11.628 -2.957 1.00 0.00 H new ATOM 554 N ALA A 812 -3.307 -4.887 -7.853 1.00 0.00 N ATOM 555 CA ALA A 812 -2.171 -4.867 -8.758 1.00 0.00 C ATOM 556 C ALA A 812 -0.916 -4.408 -8.029 1.00 0.00 C ATOM 557 O ALA A 812 0.173 -4.921 -8.274 1.00 0.00 O ATOM 558 CB ALA A 812 -2.461 -3.957 -9.940 1.00 0.00 C ATOM 0 H ALA A 812 -4.068 -4.263 -8.121 1.00 0.00 H new ATOM 0 HA ALA A 812 -2.002 -5.878 -9.128 1.00 0.00 H new ATOM 0 HB1 ALA A 812 -1.603 -3.949 -10.612 1.00 0.00 H new ATOM 0 HB2 ALA A 812 -3.338 -4.323 -10.475 1.00 0.00 H new ATOM 0 HB3 ALA A 812 -2.651 -2.945 -9.582 1.00 0.00 H new ATOM 564 N LEU A 813 -1.087 -3.458 -7.114 1.00 0.00 N ATOM 565 CA LEU A 813 0.022 -2.933 -6.327 1.00 0.00 C ATOM 566 C LEU A 813 0.508 -3.977 -5.328 1.00 0.00 C ATOM 567 O LEU A 813 1.701 -4.068 -5.031 1.00 0.00 O ATOM 568 CB LEU A 813 -0.407 -1.666 -5.585 1.00 0.00 C ATOM 569 CG LEU A 813 0.541 -0.477 -5.723 1.00 0.00 C ATOM 570 CD1 LEU A 813 -0.173 0.695 -6.370 1.00 0.00 C ATOM 571 CD2 LEU A 813 1.094 -0.083 -4.363 1.00 0.00 C ATOM 0 H LEU A 813 -1.990 -3.034 -6.899 1.00 0.00 H new ATOM 0 HA LEU A 813 0.839 -2.688 -7.006 1.00 0.00 H new ATOM 0 HB2 LEU A 813 -1.391 -1.369 -5.946 1.00 0.00 H new ATOM 0 HB3 LEU A 813 -0.514 -1.903 -4.527 1.00 0.00 H new ATOM 0 HG LEU A 813 1.374 -0.767 -6.363 1.00 0.00 H new ATOM 0 HD11 LEU A 813 0.516 1.535 -6.462 1.00 0.00 H new ATOM 0 HD12 LEU A 813 -0.525 0.405 -7.360 1.00 0.00 H new ATOM 0 HD13 LEU A 813 -1.023 0.988 -5.754 1.00 0.00 H new ATOM 0 HD21 LEU A 813 1.768 0.766 -4.476 1.00 0.00 H new ATOM 0 HD22 LEU A 813 0.272 0.192 -3.702 1.00 0.00 H new ATOM 0 HD23 LEU A 813 1.639 -0.924 -3.934 1.00 0.00 H new ATOM 583 N PHE A 814 -0.433 -4.772 -4.832 1.00 0.00 N ATOM 584 CA PHE A 814 -0.143 -5.827 -3.869 1.00 0.00 C ATOM 585 C PHE A 814 0.866 -6.819 -4.439 1.00 0.00 C ATOM 586 O PHE A 814 1.814 -7.213 -3.765 1.00 0.00 O ATOM 587 CB PHE A 814 -1.439 -6.551 -3.497 1.00 0.00 C ATOM 588 CG PHE A 814 -1.394 -7.264 -2.175 1.00 0.00 C ATOM 589 CD1 PHE A 814 -0.757 -6.698 -1.082 1.00 0.00 C ATOM 590 CD2 PHE A 814 -1.998 -8.500 -2.029 1.00 0.00 C ATOM 591 CE1 PHE A 814 -0.724 -7.355 0.133 1.00 0.00 C ATOM 592 CE2 PHE A 814 -1.970 -9.160 -0.818 1.00 0.00 C ATOM 593 CZ PHE A 814 -1.333 -8.589 0.265 1.00 0.00 C ATOM 0 H PHE A 814 -1.418 -4.703 -5.086 1.00 0.00 H new ATOM 0 HA PHE A 814 0.291 -5.376 -2.976 1.00 0.00 H new ATOM 0 HB2 PHE A 814 -2.253 -5.826 -3.478 1.00 0.00 H new ATOM 0 HB3 PHE A 814 -1.674 -7.274 -4.278 1.00 0.00 H new ATOM 0 HD1 PHE A 814 -0.281 -5.733 -1.181 1.00 0.00 H new ATOM 0 HD2 PHE A 814 -2.497 -8.953 -2.873 1.00 0.00 H new ATOM 0 HE1 PHE A 814 -0.223 -6.905 0.978 1.00 0.00 H new ATOM 0 HE2 PHE A 814 -2.447 -10.124 -0.717 1.00 0.00 H new ATOM 0 HZ PHE A 814 -1.310 -9.105 1.213 1.00 0.00 H new ATOM 603 N VAL A 815 0.672 -7.200 -5.693 1.00 0.00 N ATOM 604 CA VAL A 815 1.575 -8.141 -6.345 1.00 0.00 C ATOM 605 C VAL A 815 2.602 -7.408 -7.206 1.00 0.00 C ATOM 606 O VAL A 815 3.310 -8.018 -8.007 1.00 0.00 O ATOM 607 CB VAL A 815 0.808 -9.152 -7.221 1.00 0.00 C ATOM 608 CG1 VAL A 815 0.086 -10.170 -6.349 1.00 0.00 C ATOM 609 CG2 VAL A 815 -0.169 -8.440 -8.144 1.00 0.00 C ATOM 0 H VAL A 815 -0.098 -6.875 -6.278 1.00 0.00 H new ATOM 0 HA VAL A 815 2.089 -8.685 -5.553 1.00 0.00 H new ATOM 0 HB VAL A 815 1.529 -9.682 -7.843 1.00 0.00 H new ATOM 0 HG11 VAL A 815 -0.451 -10.876 -6.983 1.00 0.00 H new ATOM 0 HG12 VAL A 815 0.813 -10.708 -5.740 1.00 0.00 H new ATOM 0 HG13 VAL A 815 -0.622 -9.655 -5.699 1.00 0.00 H new ATOM 0 HG21 VAL A 815 -0.697 -9.175 -8.751 1.00 0.00 H new ATOM 0 HG22 VAL A 815 -0.888 -7.877 -7.549 1.00 0.00 H new ATOM 0 HG23 VAL A 815 0.377 -7.757 -8.795 1.00 0.00 H new ATOM 619 N ASP A 816 2.683 -6.097 -7.025 1.00 0.00 N ATOM 620 CA ASP A 816 3.594 -5.272 -7.810 1.00 0.00 C ATOM 621 C ASP A 816 4.947 -5.152 -7.124 1.00 0.00 C ATOM 622 O ASP A 816 5.964 -5.582 -7.662 1.00 0.00 O ATOM 623 CB ASP A 816 3.001 -3.878 -8.036 1.00 0.00 C ATOM 624 CG ASP A 816 3.973 -2.926 -8.707 1.00 0.00 C ATOM 625 OD1 ASP A 816 4.181 -3.047 -9.934 1.00 0.00 O ATOM 626 OD2 ASP A 816 4.527 -2.053 -8.013 1.00 0.00 O ATOM 0 H ASP A 816 2.129 -5.581 -6.342 1.00 0.00 H new ATOM 0 HA ASP A 816 3.735 -5.758 -8.776 1.00 0.00 H new ATOM 0 HB2 ASP A 816 2.104 -3.965 -8.649 1.00 0.00 H new ATOM 0 HB3 ASP A 816 2.693 -3.460 -7.078 1.00 0.00 H new ATOM 631 N THR A 817 4.954 -4.579 -5.929 1.00 0.00 N ATOM 632 CA THR A 817 6.201 -4.323 -5.227 1.00 0.00 C ATOM 633 C THR A 817 6.339 -5.184 -3.969 1.00 0.00 C ATOM 634 O THR A 817 7.445 -5.565 -3.608 1.00 0.00 O ATOM 635 CB THR A 817 6.345 -2.813 -4.888 1.00 0.00 C ATOM 636 OG1 THR A 817 7.556 -2.297 -5.456 1.00 0.00 O ATOM 637 CG2 THR A 817 6.341 -2.545 -3.386 1.00 0.00 C ATOM 0 H THR A 817 4.115 -4.285 -5.429 1.00 0.00 H new ATOM 0 HA THR A 817 7.013 -4.603 -5.897 1.00 0.00 H new ATOM 0 HB THR A 817 5.478 -2.309 -5.316 1.00 0.00 H new ATOM 0 HG1 THR A 817 8.304 -2.473 -4.847 1.00 0.00 H new ATOM 0 HG21 THR A 817 6.444 -1.475 -3.207 1.00 0.00 H new ATOM 0 HG22 THR A 817 5.403 -2.896 -2.956 1.00 0.00 H new ATOM 0 HG23 THR A 817 7.173 -3.073 -2.920 1.00 0.00 H new ATOM 645 N VAL A 818 5.219 -5.519 -3.331 1.00 0.00 N ATOM 646 CA VAL A 818 5.252 -6.196 -2.031 1.00 0.00 C ATOM 647 C VAL A 818 6.120 -7.469 -2.041 1.00 0.00 C ATOM 648 O VAL A 818 7.083 -7.554 -1.281 1.00 0.00 O ATOM 649 CB VAL A 818 3.832 -6.526 -1.518 1.00 0.00 C ATOM 650 CG1 VAL A 818 3.888 -7.247 -0.180 1.00 0.00 C ATOM 651 CG2 VAL A 818 2.997 -5.257 -1.406 1.00 0.00 C ATOM 0 H VAL A 818 4.282 -5.335 -3.688 1.00 0.00 H new ATOM 0 HA VAL A 818 5.715 -5.488 -1.344 1.00 0.00 H new ATOM 0 HB VAL A 818 3.359 -7.191 -2.240 1.00 0.00 H new ATOM 0 HG11 VAL A 818 2.875 -7.467 0.157 1.00 0.00 H new ATOM 0 HG12 VAL A 818 4.444 -8.178 -0.291 1.00 0.00 H new ATOM 0 HG13 VAL A 818 4.385 -6.613 0.554 1.00 0.00 H new ATOM 0 HG21 VAL A 818 2.000 -5.508 -1.043 1.00 0.00 H new ATOM 0 HG22 VAL A 818 3.474 -4.568 -0.709 1.00 0.00 H new ATOM 0 HG23 VAL A 818 2.919 -4.785 -2.386 1.00 0.00 H new ATOM 661 N PRO A 819 5.820 -8.468 -2.896 1.00 0.00 N ATOM 662 CA PRO A 819 6.598 -9.712 -2.939 1.00 0.00 C ATOM 663 C PRO A 819 8.020 -9.488 -3.454 1.00 0.00 C ATOM 664 O PRO A 819 8.983 -10.035 -2.915 1.00 0.00 O ATOM 665 CB PRO A 819 5.817 -10.608 -3.909 1.00 0.00 C ATOM 666 CG PRO A 819 4.486 -9.954 -4.072 1.00 0.00 C ATOM 667 CD PRO A 819 4.725 -8.488 -3.874 1.00 0.00 C ATOM 0 HA PRO A 819 6.713 -10.145 -1.946 1.00 0.00 H new ATOM 0 HB2 PRO A 819 6.332 -10.693 -4.866 1.00 0.00 H new ATOM 0 HB3 PRO A 819 5.712 -11.618 -3.512 1.00 0.00 H new ATOM 0 HG2 PRO A 819 4.071 -10.153 -5.060 1.00 0.00 H new ATOM 0 HG3 PRO A 819 3.771 -10.336 -3.343 1.00 0.00 H new ATOM 0 HD2 PRO A 819 5.004 -7.994 -4.805 1.00 0.00 H new ATOM 0 HD3 PRO A 819 3.837 -7.980 -3.498 1.00 0.00 H new ATOM 675 N ASP A 820 8.142 -8.664 -4.491 1.00 0.00 N ATOM 676 CA ASP A 820 9.435 -8.406 -5.126 1.00 0.00 C ATOM 677 C ASP A 820 10.385 -7.693 -4.168 1.00 0.00 C ATOM 678 O ASP A 820 11.567 -8.033 -4.072 1.00 0.00 O ATOM 679 CB ASP A 820 9.243 -7.562 -6.386 1.00 0.00 C ATOM 680 CG ASP A 820 10.394 -7.702 -7.364 1.00 0.00 C ATOM 681 OD1 ASP A 820 10.835 -8.845 -7.612 1.00 0.00 O ATOM 682 OD2 ASP A 820 10.853 -6.669 -7.902 1.00 0.00 O ATOM 0 H ASP A 820 7.360 -8.162 -4.912 1.00 0.00 H new ATOM 0 HA ASP A 820 9.875 -9.366 -5.396 1.00 0.00 H new ATOM 0 HB2 ASP A 820 8.316 -7.856 -6.878 1.00 0.00 H new ATOM 0 HB3 ASP A 820 9.136 -6.514 -6.104 1.00 0.00 H new ATOM 687 N ASP A 821 9.855 -6.709 -3.451 1.00 0.00 N ATOM 688 CA ASP A 821 10.649 -5.930 -2.509 1.00 0.00 C ATOM 689 C ASP A 821 10.892 -6.721 -1.232 1.00 0.00 C ATOM 690 O ASP A 821 11.899 -6.527 -0.556 1.00 0.00 O ATOM 691 CB ASP A 821 9.966 -4.596 -2.190 1.00 0.00 C ATOM 692 CG ASP A 821 10.376 -3.499 -3.151 1.00 0.00 C ATOM 693 OD1 ASP A 821 11.456 -2.907 -2.959 1.00 0.00 O ATOM 694 OD2 ASP A 821 9.633 -3.242 -4.124 1.00 0.00 O ATOM 0 H ASP A 821 8.875 -6.431 -3.505 1.00 0.00 H new ATOM 0 HA ASP A 821 11.612 -5.717 -2.974 1.00 0.00 H new ATOM 0 HB2 ASP A 821 8.884 -4.725 -2.229 1.00 0.00 H new ATOM 0 HB3 ASP A 821 10.215 -4.297 -1.172 1.00 0.00 H new ATOM 699 N VAL A 822 9.973 -7.622 -0.904 1.00 0.00 N ATOM 700 CA VAL A 822 10.175 -8.530 0.219 1.00 0.00 C ATOM 701 C VAL A 822 11.348 -9.462 -0.079 1.00 0.00 C ATOM 702 O VAL A 822 12.160 -9.766 0.799 1.00 0.00 O ATOM 703 CB VAL A 822 8.884 -9.334 0.535 1.00 0.00 C ATOM 704 CG1 VAL A 822 9.140 -10.835 0.630 1.00 0.00 C ATOM 705 CG2 VAL A 822 8.255 -8.827 1.822 1.00 0.00 C ATOM 0 H VAL A 822 9.087 -7.743 -1.395 1.00 0.00 H new ATOM 0 HA VAL A 822 10.410 -7.942 1.106 1.00 0.00 H new ATOM 0 HB VAL A 822 8.196 -9.178 -0.296 1.00 0.00 H new ATOM 0 HG11 VAL A 822 8.206 -11.350 0.852 1.00 0.00 H new ATOM 0 HG12 VAL A 822 9.537 -11.197 -0.318 1.00 0.00 H new ATOM 0 HG13 VAL A 822 9.861 -11.032 1.424 1.00 0.00 H new ATOM 0 HG21 VAL A 822 7.351 -9.397 2.034 1.00 0.00 H new ATOM 0 HG22 VAL A 822 8.961 -8.947 2.644 1.00 0.00 H new ATOM 0 HG23 VAL A 822 8.002 -7.773 1.712 1.00 0.00 H new ATOM 715 N LYS A 823 11.449 -9.885 -1.335 1.00 0.00 N ATOM 716 CA LYS A 823 12.572 -10.686 -1.784 1.00 0.00 C ATOM 717 C LYS A 823 13.846 -9.845 -1.761 1.00 0.00 C ATOM 718 O LYS A 823 14.924 -10.340 -1.438 1.00 0.00 O ATOM 719 CB LYS A 823 12.316 -11.228 -3.190 1.00 0.00 C ATOM 720 CG LYS A 823 12.508 -12.732 -3.305 1.00 0.00 C ATOM 721 CD LYS A 823 12.188 -13.226 -4.706 1.00 0.00 C ATOM 722 CE LYS A 823 13.338 -12.964 -5.668 1.00 0.00 C ATOM 723 NZ LYS A 823 14.482 -13.881 -5.425 1.00 0.00 N ATOM 0 H LYS A 823 10.761 -9.683 -2.060 1.00 0.00 H new ATOM 0 HA LYS A 823 12.693 -11.534 -1.110 1.00 0.00 H new ATOM 0 HB2 LYS A 823 11.298 -10.976 -3.488 1.00 0.00 H new ATOM 0 HB3 LYS A 823 12.986 -10.730 -3.890 1.00 0.00 H new ATOM 0 HG2 LYS A 823 13.537 -12.989 -3.053 1.00 0.00 H new ATOM 0 HG3 LYS A 823 11.867 -13.238 -2.584 1.00 0.00 H new ATOM 0 HD2 LYS A 823 11.974 -14.294 -4.676 1.00 0.00 H new ATOM 0 HD3 LYS A 823 11.288 -12.731 -5.070 1.00 0.00 H new ATOM 0 HE2 LYS A 823 12.988 -13.083 -6.693 1.00 0.00 H new ATOM 0 HE3 LYS A 823 13.671 -11.932 -5.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 823 15.138 -13.839 -6.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 823 14.980 -13.593 -4.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 823 14.130 -14.853 -5.315 1.00 0.00 H new ATOM 737 N ARG A 824 13.707 -8.563 -2.092 1.00 0.00 N ATOM 738 CA ARG A 824 14.820 -7.622 -2.012 1.00 0.00 C ATOM 739 C ARG A 824 15.315 -7.522 -0.575 1.00 0.00 C ATOM 740 O ARG A 824 16.516 -7.577 -0.317 1.00 0.00 O ATOM 741 CB ARG A 824 14.392 -6.239 -2.509 1.00 0.00 C ATOM 742 CG ARG A 824 14.703 -5.993 -3.975 1.00 0.00 C ATOM 743 CD ARG A 824 14.464 -4.540 -4.365 1.00 0.00 C ATOM 744 NE ARG A 824 13.061 -4.284 -4.706 1.00 0.00 N ATOM 745 CZ ARG A 824 12.450 -4.777 -5.786 1.00 0.00 C ATOM 746 NH1 ARG A 824 13.122 -5.521 -6.655 1.00 0.00 N ATOM 747 NH2 ARG A 824 11.166 -4.521 -6.002 1.00 0.00 N ATOM 0 H ARG A 824 12.832 -8.152 -2.419 1.00 0.00 H new ATOM 0 HA ARG A 824 15.627 -7.987 -2.647 1.00 0.00 H new ATOM 0 HB2 ARG A 824 13.320 -6.121 -2.350 1.00 0.00 H new ATOM 0 HB3 ARG A 824 14.889 -5.477 -1.909 1.00 0.00 H new ATOM 0 HG2 ARG A 824 15.741 -6.258 -4.176 1.00 0.00 H new ATOM 0 HG3 ARG A 824 14.083 -6.642 -4.593 1.00 0.00 H new ATOM 0 HD2 ARG A 824 14.761 -3.891 -3.541 1.00 0.00 H new ATOM 0 HD3 ARG A 824 15.096 -4.285 -5.216 1.00 0.00 H new ATOM 0 HE ARG A 824 12.517 -3.692 -4.078 1.00 0.00 H new ATOM 0 HH11 ARG A 824 14.110 -5.719 -6.500 1.00 0.00 H new ATOM 0 HH12 ARG A 824 12.650 -5.895 -7.478 1.00 0.00 H new ATOM 0 HH21 ARG A 824 10.643 -3.946 -5.342 1.00 0.00 H new ATOM 0 HH22 ARG A 824 10.702 -4.899 -6.828 1.00 0.00 H new ATOM 761 N LEU A 825 14.373 -7.393 0.357 1.00 0.00 N ATOM 762 CA LEU A 825 14.695 -7.378 1.780 1.00 0.00 C ATOM 763 C LEU A 825 15.502 -8.613 2.151 1.00 0.00 C ATOM 764 O LEU A 825 16.503 -8.519 2.849 1.00 0.00 O ATOM 765 CB LEU A 825 13.416 -7.318 2.621 1.00 0.00 C ATOM 766 CG LEU A 825 12.931 -5.912 2.975 1.00 0.00 C ATOM 767 CD1 LEU A 825 11.420 -5.818 2.825 1.00 0.00 C ATOM 768 CD2 LEU A 825 13.351 -5.543 4.390 1.00 0.00 C ATOM 0 H LEU A 825 13.379 -7.297 0.150 1.00 0.00 H new ATOM 0 HA LEU A 825 15.291 -6.489 1.987 1.00 0.00 H new ATOM 0 HB2 LEU A 825 12.622 -7.833 2.081 1.00 0.00 H new ATOM 0 HB3 LEU A 825 13.583 -7.870 3.546 1.00 0.00 H new ATOM 0 HG LEU A 825 13.391 -5.204 2.285 1.00 0.00 H new ATOM 0 HD11 LEU A 825 11.091 -4.811 3.081 1.00 0.00 H new ATOM 0 HD12 LEU A 825 11.142 -6.040 1.795 1.00 0.00 H new ATOM 0 HD13 LEU A 825 10.943 -6.536 3.492 1.00 0.00 H new ATOM 0 HD21 LEU A 825 12.997 -4.539 4.624 1.00 0.00 H new ATOM 0 HD22 LEU A 825 12.919 -6.254 5.095 1.00 0.00 H new ATOM 0 HD23 LEU A 825 14.438 -5.572 4.466 1.00 0.00 H new ATOM 780 N TYR A 826 15.067 -9.769 1.659 1.00 0.00 N ATOM 781 CA TYR A 826 15.772 -11.026 1.895 1.00 0.00 C ATOM 782 C TYR A 826 17.176 -10.984 1.294 1.00 0.00 C ATOM 783 O TYR A 826 18.143 -11.442 1.910 1.00 0.00 O ATOM 784 CB TYR A 826 14.996 -12.191 1.280 1.00 0.00 C ATOM 785 CG TYR A 826 13.871 -12.710 2.143 1.00 0.00 C ATOM 786 CD1 TYR A 826 14.071 -12.982 3.490 1.00 0.00 C ATOM 787 CD2 TYR A 826 12.611 -12.934 1.606 1.00 0.00 C ATOM 788 CE1 TYR A 826 13.044 -13.464 4.276 1.00 0.00 C ATOM 789 CE2 TYR A 826 11.579 -13.416 2.385 1.00 0.00 C ATOM 790 CZ TYR A 826 11.800 -13.679 3.719 1.00 0.00 C ATOM 791 OH TYR A 826 10.774 -14.159 4.498 1.00 0.00 O ATOM 0 H TYR A 826 14.225 -9.862 1.091 1.00 0.00 H new ATOM 0 HA TYR A 826 15.852 -11.168 2.973 1.00 0.00 H new ATOM 0 HB2 TYR A 826 14.587 -11.874 0.321 1.00 0.00 H new ATOM 0 HB3 TYR A 826 15.689 -13.007 1.077 1.00 0.00 H new ATOM 0 HD1 TYR A 826 15.044 -12.814 3.929 1.00 0.00 H new ATOM 0 HD2 TYR A 826 12.435 -12.728 0.561 1.00 0.00 H new ATOM 0 HE1 TYR A 826 13.213 -13.672 5.322 1.00 0.00 H new ATOM 0 HE2 TYR A 826 10.604 -13.586 1.952 1.00 0.00 H new ATOM 0 HH TYR A 826 10.897 -13.858 5.423 1.00 0.00 H new ATOM 801 N THR A 827 17.283 -10.404 0.106 1.00 0.00 N ATOM 802 CA THR A 827 18.538 -10.378 -0.623 1.00 0.00 C ATOM 803 C THR A 827 19.545 -9.486 0.092 1.00 0.00 C ATOM 804 O THR A 827 20.722 -9.822 0.214 1.00 0.00 O ATOM 805 CB THR A 827 18.323 -9.873 -2.066 1.00 0.00 C ATOM 806 OG1 THR A 827 17.257 -10.603 -2.690 1.00 0.00 O ATOM 807 CG2 THR A 827 19.583 -10.020 -2.900 1.00 0.00 C ATOM 0 H THR A 827 16.509 -9.943 -0.373 1.00 0.00 H new ATOM 0 HA THR A 827 18.928 -11.395 -0.665 1.00 0.00 H new ATOM 0 HB THR A 827 18.066 -8.815 -2.010 1.00 0.00 H new ATOM 0 HG1 THR A 827 16.399 -10.310 -2.318 1.00 0.00 H new ATOM 0 HG21 THR A 827 19.396 -9.655 -3.910 1.00 0.00 H new ATOM 0 HG22 THR A 827 20.388 -9.440 -2.448 1.00 0.00 H new ATOM 0 HG23 THR A 827 19.871 -11.070 -2.942 1.00 0.00 H new ATOM 815 N GLU A 828 19.063 -8.356 0.582 1.00 0.00 N ATOM 816 CA GLU A 828 19.901 -7.416 1.301 1.00 0.00 C ATOM 817 C GLU A 828 20.118 -7.861 2.742 1.00 0.00 C ATOM 818 O GLU A 828 21.100 -7.475 3.373 1.00 0.00 O ATOM 819 CB GLU A 828 19.298 -6.017 1.242 1.00 0.00 C ATOM 820 CG GLU A 828 19.015 -5.558 -0.181 1.00 0.00 C ATOM 821 CD GLU A 828 20.265 -5.499 -1.046 1.00 0.00 C ATOM 822 OE1 GLU A 828 21.387 -5.671 -0.515 1.00 0.00 O ATOM 823 OE2 GLU A 828 20.130 -5.291 -2.270 1.00 0.00 O ATOM 0 H GLU A 828 18.089 -8.068 0.493 1.00 0.00 H new ATOM 0 HA GLU A 828 20.878 -7.389 0.818 1.00 0.00 H new ATOM 0 HB2 GLU A 828 18.371 -6.001 1.815 1.00 0.00 H new ATOM 0 HB3 GLU A 828 19.979 -5.312 1.718 1.00 0.00 H new ATOM 0 HG2 GLU A 828 18.295 -6.236 -0.639 1.00 0.00 H new ATOM 0 HG3 GLU A 828 18.552 -4.572 -0.153 1.00 0.00 H new ATOM 830 N ALA A 829 19.192 -8.656 3.272 1.00 0.00 N ATOM 831 CA ALA A 829 19.359 -9.244 4.595 1.00 0.00 C ATOM 832 C ALA A 829 20.524 -10.224 4.587 1.00 0.00 C ATOM 833 O ALA A 829 21.239 -10.366 5.581 1.00 0.00 O ATOM 834 CB ALA A 829 18.083 -9.938 5.049 1.00 0.00 C ATOM 0 H ALA A 829 18.320 -8.907 2.805 1.00 0.00 H new ATOM 0 HA ALA A 829 19.575 -8.443 5.302 1.00 0.00 H new ATOM 0 HB1 ALA A 829 18.235 -10.368 6.039 1.00 0.00 H new ATOM 0 HB2 ALA A 829 17.269 -9.214 5.089 1.00 0.00 H new ATOM 0 HB3 ALA A 829 17.829 -10.730 4.345 1.00 0.00 H new ATOM 840 N ALA A 830 20.712 -10.890 3.453 1.00 0.00 N ATOM 841 CA ALA A 830 21.864 -11.759 3.260 1.00 0.00 C ATOM 842 C ALA A 830 23.157 -10.954 3.357 1.00 0.00 C ATOM 843 O ALA A 830 24.146 -11.411 3.930 1.00 0.00 O ATOM 844 CB ALA A 830 21.775 -12.461 1.916 1.00 0.00 C ATOM 0 H ALA A 830 20.080 -10.844 2.654 1.00 0.00 H new ATOM 0 HA ALA A 830 21.867 -12.514 4.046 1.00 0.00 H new ATOM 0 HB1 ALA A 830 22.643 -13.107 1.785 1.00 0.00 H new ATOM 0 HB2 ALA A 830 20.866 -13.062 1.879 1.00 0.00 H new ATOM 0 HB3 ALA A 830 21.752 -11.718 1.118 1.00 0.00 H new ATOM 850 N THR A 831 23.135 -9.749 2.804 1.00 0.00 N ATOM 851 CA THR A 831 24.280 -8.850 2.859 1.00 0.00 C ATOM 852 C THR A 831 24.349 -8.127 4.206 1.00 0.00 C ATOM 853 O THR A 831 25.393 -7.591 4.582 1.00 0.00 O ATOM 854 CB THR A 831 24.191 -7.804 1.733 1.00 0.00 C ATOM 855 OG1 THR A 831 23.018 -8.044 0.939 1.00 0.00 O ATOM 856 CG2 THR A 831 25.425 -7.852 0.849 1.00 0.00 C ATOM 0 H THR A 831 22.329 -9.369 2.308 1.00 0.00 H new ATOM 0 HA THR A 831 25.180 -9.452 2.734 1.00 0.00 H new ATOM 0 HB THR A 831 24.130 -6.815 2.187 1.00 0.00 H new ATOM 0 HG1 THR A 831 22.903 -7.313 0.296 1.00 0.00 H new ATOM 0 HG21 THR A 831 25.338 -7.104 0.061 1.00 0.00 H new ATOM 0 HG22 THR A 831 26.311 -7.645 1.449 1.00 0.00 H new ATOM 0 HG23 THR A 831 25.513 -8.842 0.401 1.00 0.00 H new ATOM 864 N SER A 832 23.218 -8.118 4.917 1.00 0.00 N ATOM 865 CA SER A 832 23.076 -7.418 6.191 1.00 0.00 C ATOM 866 C SER A 832 23.141 -5.912 5.966 1.00 0.00 C ATOM 867 O SER A 832 23.602 -5.154 6.820 1.00 0.00 O ATOM 868 CB SER A 832 24.130 -7.879 7.205 1.00 0.00 C ATOM 869 OG SER A 832 24.179 -9.297 7.269 1.00 0.00 O ATOM 0 H SER A 832 22.370 -8.601 4.620 1.00 0.00 H new ATOM 0 HA SER A 832 22.102 -7.663 6.613 1.00 0.00 H new ATOM 0 HB2 SER A 832 25.108 -7.489 6.923 1.00 0.00 H new ATOM 0 HB3 SER A 832 23.897 -7.473 8.189 1.00 0.00 H new ATOM 0 HG SER A 832 24.858 -9.572 7.920 1.00 0.00 H new ATOM 875 N ASP A 833 22.660 -5.491 4.801 1.00 0.00 N ATOM 876 CA ASP A 833 22.598 -4.078 4.456 1.00 0.00 C ATOM 877 C ASP A 833 21.332 -3.473 5.046 1.00 0.00 C ATOM 878 O ASP A 833 20.354 -3.222 4.343 1.00 0.00 O ATOM 879 CB ASP A 833 22.625 -3.891 2.934 1.00 0.00 C ATOM 880 CG ASP A 833 23.093 -2.507 2.524 1.00 0.00 C ATOM 881 OD1 ASP A 833 22.756 -1.525 3.222 1.00 0.00 O ATOM 882 OD2 ASP A 833 23.799 -2.392 1.496 1.00 0.00 O ATOM 0 H ASP A 833 22.305 -6.115 4.076 1.00 0.00 H new ATOM 0 HA ASP A 833 23.468 -3.569 4.871 1.00 0.00 H new ATOM 0 HB2 ASP A 833 23.283 -4.639 2.491 1.00 0.00 H new ATOM 0 HB3 ASP A 833 21.627 -4.067 2.532 1.00 0.00 H new ATOM 887 N PHE A 834 21.356 -3.266 6.353 1.00 0.00 N ATOM 888 CA PHE A 834 20.188 -2.784 7.078 1.00 0.00 C ATOM 889 C PHE A 834 19.847 -1.337 6.738 1.00 0.00 C ATOM 890 O PHE A 834 18.748 -0.875 7.037 1.00 0.00 O ATOM 891 CB PHE A 834 20.393 -2.949 8.584 1.00 0.00 C ATOM 892 CG PHE A 834 20.751 -4.354 8.980 1.00 0.00 C ATOM 893 CD1 PHE A 834 19.946 -5.422 8.612 1.00 0.00 C ATOM 894 CD2 PHE A 834 21.894 -4.608 9.718 1.00 0.00 C ATOM 895 CE1 PHE A 834 20.278 -6.715 8.970 1.00 0.00 C ATOM 896 CE2 PHE A 834 22.232 -5.899 10.077 1.00 0.00 C ATOM 897 CZ PHE A 834 21.421 -6.952 9.704 1.00 0.00 C ATOM 0 H PHE A 834 22.176 -3.425 6.938 1.00 0.00 H new ATOM 0 HA PHE A 834 19.340 -3.392 6.763 1.00 0.00 H new ATOM 0 HB2 PHE A 834 21.182 -2.273 8.913 1.00 0.00 H new ATOM 0 HB3 PHE A 834 19.482 -2.653 9.103 1.00 0.00 H new ATOM 0 HD1 PHE A 834 19.049 -5.241 8.039 1.00 0.00 H new ATOM 0 HD2 PHE A 834 22.529 -3.787 10.017 1.00 0.00 H new ATOM 0 HE1 PHE A 834 19.644 -7.538 8.676 1.00 0.00 H new ATOM 0 HE2 PHE A 834 23.129 -6.084 10.649 1.00 0.00 H new ATOM 0 HZ PHE A 834 21.682 -7.961 9.987 1.00 0.00 H new ATOM 907 N ALA A 835 20.771 -0.621 6.115 1.00 0.00 N ATOM 908 CA ALA A 835 20.454 0.704 5.604 1.00 0.00 C ATOM 909 C ALA A 835 19.502 0.567 4.421 1.00 0.00 C ATOM 910 O ALA A 835 18.496 1.276 4.318 1.00 0.00 O ATOM 911 CB ALA A 835 21.717 1.444 5.200 1.00 0.00 C ATOM 0 H ALA A 835 21.730 -0.928 5.953 1.00 0.00 H new ATOM 0 HA ALA A 835 19.971 1.287 6.388 1.00 0.00 H new ATOM 0 HB1 ALA A 835 21.455 2.432 4.821 1.00 0.00 H new ATOM 0 HB2 ALA A 835 22.370 1.549 6.066 1.00 0.00 H new ATOM 0 HB3 ALA A 835 22.234 0.883 4.422 1.00 0.00 H new ATOM 917 N ALA A 836 19.802 -0.395 3.555 1.00 0.00 N ATOM 918 CA ALA A 836 18.963 -0.669 2.401 1.00 0.00 C ATOM 919 C ALA A 836 17.671 -1.328 2.857 1.00 0.00 C ATOM 920 O ALA A 836 16.598 -1.069 2.316 1.00 0.00 O ATOM 921 CB ALA A 836 19.697 -1.553 1.401 1.00 0.00 C ATOM 0 H ALA A 836 20.622 -0.997 3.633 1.00 0.00 H new ATOM 0 HA ALA A 836 18.724 0.271 1.903 1.00 0.00 H new ATOM 0 HB1 ALA A 836 19.052 -1.747 0.544 1.00 0.00 H new ATOM 0 HB2 ALA A 836 20.603 -1.049 1.066 1.00 0.00 H new ATOM 0 HB3 ALA A 836 19.962 -2.497 1.876 1.00 0.00 H new ATOM 927 N LEU A 837 17.792 -2.173 3.876 1.00 0.00 N ATOM 928 CA LEU A 837 16.639 -2.815 4.496 1.00 0.00 C ATOM 929 C LEU A 837 15.659 -1.769 5.009 1.00 0.00 C ATOM 930 O LEU A 837 14.458 -1.871 4.780 1.00 0.00 O ATOM 931 CB LEU A 837 17.086 -3.710 5.651 1.00 0.00 C ATOM 932 CG LEU A 837 16.780 -5.196 5.476 1.00 0.00 C ATOM 933 CD1 LEU A 837 17.876 -5.870 4.673 1.00 0.00 C ATOM 934 CD2 LEU A 837 16.617 -5.868 6.830 1.00 0.00 C ATOM 0 H LEU A 837 18.687 -2.431 4.293 1.00 0.00 H new ATOM 0 HA LEU A 837 16.143 -3.426 3.742 1.00 0.00 H new ATOM 0 HB2 LEU A 837 18.161 -3.590 5.788 1.00 0.00 H new ATOM 0 HB3 LEU A 837 16.607 -3.362 6.566 1.00 0.00 H new ATOM 0 HG LEU A 837 15.842 -5.296 4.929 1.00 0.00 H new ATOM 0 HD11 LEU A 837 17.643 -6.929 4.557 1.00 0.00 H new ATOM 0 HD12 LEU A 837 17.946 -5.404 3.690 1.00 0.00 H new ATOM 0 HD13 LEU A 837 18.827 -5.763 5.194 1.00 0.00 H new ATOM 0 HD21 LEU A 837 16.399 -6.926 6.687 1.00 0.00 H new ATOM 0 HD22 LEU A 837 17.538 -5.761 7.403 1.00 0.00 H new ATOM 0 HD23 LEU A 837 15.796 -5.399 7.373 1.00 0.00 H new ATOM 946 N ALA A 838 16.188 -0.761 5.694 1.00 0.00 N ATOM 947 CA ALA A 838 15.370 0.328 6.206 1.00 0.00 C ATOM 948 C ALA A 838 14.660 1.051 5.070 1.00 0.00 C ATOM 949 O ALA A 838 13.477 1.368 5.173 1.00 0.00 O ATOM 950 CB ALA A 838 16.221 1.302 7.005 1.00 0.00 C ATOM 0 H ALA A 838 17.182 -0.677 5.907 1.00 0.00 H new ATOM 0 HA ALA A 838 14.614 -0.096 6.867 1.00 0.00 H new ATOM 0 HB1 ALA A 838 15.593 2.110 7.381 1.00 0.00 H new ATOM 0 HB2 ALA A 838 16.681 0.780 7.844 1.00 0.00 H new ATOM 0 HB3 ALA A 838 17.000 1.715 6.364 1.00 0.00 H new ATOM 956 N GLN A 839 15.385 1.304 3.986 1.00 0.00 N ATOM 957 CA GLN A 839 14.806 1.957 2.816 1.00 0.00 C ATOM 958 C GLN A 839 13.698 1.102 2.198 1.00 0.00 C ATOM 959 O GLN A 839 12.620 1.603 1.871 1.00 0.00 O ATOM 960 CB GLN A 839 15.893 2.244 1.782 1.00 0.00 C ATOM 961 CG GLN A 839 16.810 3.390 2.171 1.00 0.00 C ATOM 962 CD GLN A 839 16.050 4.603 2.664 1.00 0.00 C ATOM 963 OE1 GLN A 839 15.890 4.806 3.868 1.00 0.00 O ATOM 964 NE2 GLN A 839 15.560 5.407 1.735 1.00 0.00 N ATOM 0 H GLN A 839 16.373 1.068 3.892 1.00 0.00 H new ATOM 0 HA GLN A 839 14.364 2.900 3.138 1.00 0.00 H new ATOM 0 HB2 GLN A 839 16.491 1.344 1.635 1.00 0.00 H new ATOM 0 HB3 GLN A 839 15.423 2.474 0.826 1.00 0.00 H new ATOM 0 HG2 GLN A 839 17.495 3.054 2.950 1.00 0.00 H new ATOM 0 HG3 GLN A 839 17.418 3.672 1.311 1.00 0.00 H new ATOM 0 HE21 GLN A 839 15.716 5.201 0.748 1.00 0.00 H new ATOM 0 HE22 GLN A 839 15.026 6.233 2.005 1.00 0.00 H new ATOM 973 N THR A 840 13.959 -0.190 2.053 1.00 0.00 N ATOM 974 CA THR A 840 12.975 -1.103 1.487 1.00 0.00 C ATOM 975 C THR A 840 11.747 -1.214 2.393 1.00 0.00 C ATOM 976 O THR A 840 10.611 -1.191 1.919 1.00 0.00 O ATOM 977 CB THR A 840 13.574 -2.504 1.246 1.00 0.00 C ATOM 978 OG1 THR A 840 14.907 -2.384 0.731 1.00 0.00 O ATOM 979 CG2 THR A 840 12.724 -3.297 0.264 1.00 0.00 C ATOM 0 H THR A 840 14.841 -0.629 2.318 1.00 0.00 H new ATOM 0 HA THR A 840 12.670 -0.690 0.525 1.00 0.00 H new ATOM 0 HB THR A 840 13.593 -3.033 2.199 1.00 0.00 H new ATOM 0 HG1 THR A 840 15.532 -2.236 1.471 1.00 0.00 H new ATOM 0 HG21 THR A 840 13.167 -4.281 0.111 1.00 0.00 H new ATOM 0 HG22 THR A 840 11.717 -3.411 0.664 1.00 0.00 H new ATOM 0 HG23 THR A 840 12.678 -2.768 -0.688 1.00 0.00 H new ATOM 987 N ALA A 841 11.981 -1.305 3.699 1.00 0.00 N ATOM 988 CA ALA A 841 10.893 -1.371 4.669 1.00 0.00 C ATOM 989 C ALA A 841 10.096 -0.073 4.670 1.00 0.00 C ATOM 990 O ALA A 841 8.891 -0.075 4.912 1.00 0.00 O ATOM 991 CB ALA A 841 11.437 -1.665 6.057 1.00 0.00 C ATOM 0 H ALA A 841 12.914 -1.335 4.110 1.00 0.00 H new ATOM 0 HA ALA A 841 10.224 -2.182 4.382 1.00 0.00 H new ATOM 0 HB1 ALA A 841 10.613 -1.711 6.769 1.00 0.00 H new ATOM 0 HB2 ALA A 841 11.962 -2.620 6.047 1.00 0.00 H new ATOM 0 HB3 ALA A 841 12.127 -0.875 6.352 1.00 0.00 H new ATOM 997 N HIS A 842 10.782 1.030 4.392 1.00 0.00 N ATOM 998 CA HIS A 842 10.136 2.331 4.270 1.00 0.00 C ATOM 999 C HIS A 842 9.131 2.310 3.125 1.00 0.00 C ATOM 1000 O HIS A 842 7.996 2.765 3.273 1.00 0.00 O ATOM 1001 CB HIS A 842 11.184 3.418 4.028 1.00 0.00 C ATOM 1002 CG HIS A 842 10.898 4.710 4.723 1.00 0.00 C ATOM 1003 ND1 HIS A 842 10.463 4.791 6.027 1.00 0.00 N ATOM 1004 CD2 HIS A 842 11.002 5.985 4.285 1.00 0.00 C ATOM 1005 CE1 HIS A 842 10.314 6.058 6.361 1.00 0.00 C ATOM 1006 NE2 HIS A 842 10.636 6.805 5.322 1.00 0.00 N ATOM 0 H HIS A 842 11.791 1.048 4.246 1.00 0.00 H new ATOM 0 HA HIS A 842 9.609 2.551 5.198 1.00 0.00 H new ATOM 0 HB2 HIS A 842 12.156 3.049 4.356 1.00 0.00 H new ATOM 0 HB3 HIS A 842 11.258 3.603 2.956 1.00 0.00 H new ATOM 0 HD1 HIS A 842 10.284 3.995 6.639 1.00 0.00 H new ATOM 0 HD2 HIS A 842 11.315 6.300 3.301 1.00 0.00 H new ATOM 0 HE1 HIS A 842 9.984 6.423 7.323 1.00 0.00 H new ATOM 1015 N ARG A 843 9.554 1.769 1.986 1.00 0.00 N ATOM 1016 CA ARG A 843 8.676 1.638 0.829 1.00 0.00 C ATOM 1017 C ARG A 843 7.509 0.706 1.149 1.00 0.00 C ATOM 1018 O ARG A 843 6.364 0.986 0.797 1.00 0.00 O ATOM 1019 CB ARG A 843 9.448 1.108 -0.382 1.00 0.00 C ATOM 1020 CG ARG A 843 8.745 1.361 -1.708 1.00 0.00 C ATOM 1021 CD ARG A 843 9.213 0.402 -2.795 1.00 0.00 C ATOM 1022 NE ARG A 843 10.269 0.985 -3.625 1.00 0.00 N ATOM 1023 CZ ARG A 843 10.064 1.932 -4.545 1.00 0.00 C ATOM 1024 NH1 ARG A 843 8.830 2.328 -4.835 1.00 0.00 N ATOM 1025 NH2 ARG A 843 11.090 2.462 -5.200 1.00 0.00 N ATOM 0 H ARG A 843 10.499 1.415 1.840 1.00 0.00 H new ATOM 0 HA ARG A 843 8.286 2.627 0.587 1.00 0.00 H new ATOM 0 HB2 ARG A 843 10.433 1.574 -0.407 1.00 0.00 H new ATOM 0 HB3 ARG A 843 9.605 0.036 -0.262 1.00 0.00 H new ATOM 0 HG2 ARG A 843 7.668 1.258 -1.573 1.00 0.00 H new ATOM 0 HG3 ARG A 843 8.930 2.387 -2.026 1.00 0.00 H new ATOM 0 HD2 ARG A 843 9.579 -0.516 -2.335 1.00 0.00 H new ATOM 0 HD3 ARG A 843 8.367 0.128 -3.425 1.00 0.00 H new ATOM 0 HE ARG A 843 11.222 0.647 -3.492 1.00 0.00 H new ATOM 0 HH11 ARG A 843 8.034 1.909 -4.355 1.00 0.00 H new ATOM 0 HH12 ARG A 843 8.678 3.051 -5.538 1.00 0.00 H new ATOM 0 HH21 ARG A 843 12.039 2.146 -5.002 1.00 0.00 H new ATOM 0 HH22 ARG A 843 10.929 3.185 -5.902 1.00 0.00 H new ATOM 1039 N LEU A 844 7.811 -0.393 1.834 1.00 0.00 N ATOM 1040 CA LEU A 844 6.797 -1.374 2.209 1.00 0.00 C ATOM 1041 C LEU A 844 5.776 -0.759 3.161 1.00 0.00 C ATOM 1042 O LEU A 844 4.571 -0.955 3.000 1.00 0.00 O ATOM 1043 CB LEU A 844 7.450 -2.597 2.856 1.00 0.00 C ATOM 1044 CG LEU A 844 7.330 -3.895 2.056 1.00 0.00 C ATOM 1045 CD1 LEU A 844 8.422 -3.976 1.000 1.00 0.00 C ATOM 1046 CD2 LEU A 844 7.391 -5.096 2.985 1.00 0.00 C ATOM 0 H LEU A 844 8.755 -0.627 2.142 1.00 0.00 H new ATOM 0 HA LEU A 844 6.279 -1.690 1.304 1.00 0.00 H new ATOM 0 HB2 LEU A 844 8.507 -2.383 3.016 1.00 0.00 H new ATOM 0 HB3 LEU A 844 7.003 -2.751 3.838 1.00 0.00 H new ATOM 0 HG LEU A 844 6.365 -3.901 1.548 1.00 0.00 H new ATOM 0 HD11 LEU A 844 8.320 -4.906 0.441 1.00 0.00 H new ATOM 0 HD12 LEU A 844 8.331 -3.131 0.317 1.00 0.00 H new ATOM 0 HD13 LEU A 844 9.398 -3.949 1.484 1.00 0.00 H new ATOM 0 HD21 LEU A 844 7.304 -6.012 2.401 1.00 0.00 H new ATOM 0 HD22 LEU A 844 8.341 -5.095 3.519 1.00 0.00 H new ATOM 0 HD23 LEU A 844 6.571 -5.044 3.702 1.00 0.00 H new ATOM 1058 N LYS A 845 6.256 -0.008 4.147 1.00 0.00 N ATOM 1059 CA LYS A 845 5.373 0.694 5.061 1.00 0.00 C ATOM 1060 C LYS A 845 4.469 1.645 4.282 1.00 0.00 C ATOM 1061 O LYS A 845 3.280 1.766 4.577 1.00 0.00 O ATOM 1062 CB LYS A 845 6.194 1.448 6.122 1.00 0.00 C ATOM 1063 CG LYS A 845 5.932 2.950 6.189 1.00 0.00 C ATOM 1064 CD LYS A 845 6.745 3.611 7.289 1.00 0.00 C ATOM 1065 CE LYS A 845 6.547 2.912 8.622 1.00 0.00 C ATOM 1066 NZ LYS A 845 6.605 3.864 9.762 1.00 0.00 N ATOM 0 H LYS A 845 7.250 0.128 4.330 1.00 0.00 H new ATOM 0 HA LYS A 845 4.742 -0.029 5.578 1.00 0.00 H new ATOM 0 HB2 LYS A 845 5.984 1.013 7.099 1.00 0.00 H new ATOM 0 HB3 LYS A 845 7.253 1.287 5.922 1.00 0.00 H new ATOM 0 HG2 LYS A 845 6.178 3.406 5.230 1.00 0.00 H new ATOM 0 HG3 LYS A 845 4.871 3.127 6.363 1.00 0.00 H new ATOM 0 HD2 LYS A 845 7.802 3.595 7.022 1.00 0.00 H new ATOM 0 HD3 LYS A 845 6.455 4.658 7.379 1.00 0.00 H new ATOM 0 HE2 LYS A 845 5.584 2.401 8.624 1.00 0.00 H new ATOM 0 HE3 LYS A 845 7.314 2.148 8.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 845 7.248 3.494 10.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 845 6.953 4.785 9.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 845 5.654 3.980 10.166 1.00 0.00 H new ATOM 1080 N GLY A 846 5.040 2.288 3.270 1.00 0.00 N ATOM 1081 CA GLY A 846 4.290 3.219 2.459 1.00 0.00 C ATOM 1082 C GLY A 846 3.185 2.549 1.667 1.00 0.00 C ATOM 1083 O GLY A 846 2.053 3.025 1.663 1.00 0.00 O ATOM 0 H GLY A 846 6.017 2.177 2.998 1.00 0.00 H new ATOM 0 HA2 GLY A 846 3.857 3.986 3.101 1.00 0.00 H new ATOM 0 HA3 GLY A 846 4.969 3.724 1.772 1.00 0.00 H new ATOM 1087 N VAL A 847 3.505 1.437 1.010 1.00 0.00 N ATOM 1088 CA VAL A 847 2.530 0.744 0.173 1.00 0.00 C ATOM 1089 C VAL A 847 1.448 0.064 1.015 1.00 0.00 C ATOM 1090 O VAL A 847 0.277 0.057 0.641 1.00 0.00 O ATOM 1091 CB VAL A 847 3.192 -0.293 -0.768 1.00 0.00 C ATOM 1092 CG1 VAL A 847 3.932 0.408 -1.896 1.00 0.00 C ATOM 1093 CG2 VAL A 847 4.132 -1.213 -0.011 1.00 0.00 C ATOM 0 H VAL A 847 4.426 0.999 1.040 1.00 0.00 H new ATOM 0 HA VAL A 847 2.064 1.511 -0.446 1.00 0.00 H new ATOM 0 HB VAL A 847 2.398 -0.906 -1.194 1.00 0.00 H new ATOM 0 HG11 VAL A 847 4.391 -0.336 -2.547 1.00 0.00 H new ATOM 0 HG12 VAL A 847 3.230 1.011 -2.472 1.00 0.00 H new ATOM 0 HG13 VAL A 847 4.706 1.052 -1.478 1.00 0.00 H new ATOM 0 HG21 VAL A 847 4.578 -1.927 -0.703 1.00 0.00 H new ATOM 0 HG22 VAL A 847 4.919 -0.623 0.459 1.00 0.00 H new ATOM 0 HG23 VAL A 847 3.575 -1.751 0.756 1.00 0.00 H new ATOM 1103 N PHE A 848 1.828 -0.488 2.161 1.00 0.00 N ATOM 1104 CA PHE A 848 0.857 -1.114 3.054 1.00 0.00 C ATOM 1105 C PHE A 848 -0.061 -0.052 3.657 1.00 0.00 C ATOM 1106 O PHE A 848 -1.271 -0.253 3.762 1.00 0.00 O ATOM 1107 CB PHE A 848 1.570 -1.913 4.147 1.00 0.00 C ATOM 1108 CG PHE A 848 1.840 -3.337 3.746 1.00 0.00 C ATOM 1109 CD1 PHE A 848 0.868 -4.311 3.899 1.00 0.00 C ATOM 1110 CD2 PHE A 848 3.065 -3.702 3.208 1.00 0.00 C ATOM 1111 CE1 PHE A 848 1.111 -5.621 3.523 1.00 0.00 C ATOM 1112 CE2 PHE A 848 3.314 -5.008 2.831 1.00 0.00 C ATOM 1113 CZ PHE A 848 2.337 -5.970 2.990 1.00 0.00 C ATOM 0 H PHE A 848 2.792 -0.516 2.493 1.00 0.00 H new ATOM 0 HA PHE A 848 0.245 -1.809 2.479 1.00 0.00 H new ATOM 0 HB2 PHE A 848 2.513 -1.424 4.391 1.00 0.00 H new ATOM 0 HB3 PHE A 848 0.963 -1.904 5.052 1.00 0.00 H new ATOM 0 HD1 PHE A 848 -0.092 -4.045 4.317 1.00 0.00 H new ATOM 0 HD2 PHE A 848 3.835 -2.955 3.082 1.00 0.00 H new ATOM 0 HE1 PHE A 848 0.343 -6.370 3.646 1.00 0.00 H new ATOM 0 HE2 PHE A 848 4.273 -5.276 2.412 1.00 0.00 H new ATOM 0 HZ PHE A 848 2.530 -6.992 2.699 1.00 0.00 H new ATOM 1123 N ALA A 849 0.512 1.090 4.023 1.00 0.00 N ATOM 1124 CA ALA A 849 -0.277 2.222 4.501 1.00 0.00 C ATOM 1125 C ALA A 849 -1.134 2.784 3.371 1.00 0.00 C ATOM 1126 O ALA A 849 -2.239 3.271 3.599 1.00 0.00 O ATOM 1127 CB ALA A 849 0.629 3.307 5.065 1.00 0.00 C ATOM 0 H ALA A 849 1.518 1.257 3.998 1.00 0.00 H new ATOM 0 HA ALA A 849 -0.933 1.872 5.298 1.00 0.00 H new ATOM 0 HB1 ALA A 849 0.022 4.142 5.416 1.00 0.00 H new ATOM 0 HB2 ALA A 849 1.206 2.903 5.897 1.00 0.00 H new ATOM 0 HB3 ALA A 849 1.309 3.654 4.287 1.00 0.00 H new ATOM 1133 N MET A 850 -0.605 2.697 2.156 1.00 0.00 N ATOM 1134 CA MET A 850 -1.301 3.134 0.950 1.00 0.00 C ATOM 1135 C MET A 850 -2.645 2.428 0.815 1.00 0.00 C ATOM 1136 O MET A 850 -3.680 3.064 0.623 1.00 0.00 O ATOM 1137 CB MET A 850 -0.426 2.836 -0.272 1.00 0.00 C ATOM 1138 CG MET A 850 -0.926 3.429 -1.572 1.00 0.00 C ATOM 1139 SD MET A 850 0.426 4.013 -2.615 1.00 0.00 S ATOM 1140 CE MET A 850 -0.474 4.900 -3.884 1.00 0.00 C ATOM 0 H MET A 850 0.325 2.319 1.978 1.00 0.00 H new ATOM 0 HA MET A 850 -1.487 4.206 1.017 1.00 0.00 H new ATOM 0 HB2 MET A 850 0.580 3.211 -0.081 1.00 0.00 H new ATOM 0 HB3 MET A 850 -0.346 1.755 -0.389 1.00 0.00 H new ATOM 0 HG2 MET A 850 -1.504 2.680 -2.113 1.00 0.00 H new ATOM 0 HG3 MET A 850 -1.601 4.257 -1.356 1.00 0.00 H new ATOM 0 HE1 MET A 850 -0.096 4.614 -4.866 1.00 0.00 H new ATOM 0 HE2 MET A 850 -1.534 4.654 -3.817 1.00 0.00 H new ATOM 0 HE3 MET A 850 -0.341 5.973 -3.742 1.00 0.00 H new ATOM 1150 N LEU A 851 -2.618 1.106 0.921 1.00 0.00 N ATOM 1151 CA LEU A 851 -3.840 0.308 0.854 1.00 0.00 C ATOM 1152 C LEU A 851 -4.502 0.220 2.228 1.00 0.00 C ATOM 1153 O LEU A 851 -5.612 -0.293 2.362 1.00 0.00 O ATOM 1154 CB LEU A 851 -3.526 -1.095 0.326 1.00 0.00 C ATOM 1155 CG LEU A 851 -2.320 -1.176 -0.615 1.00 0.00 C ATOM 1156 CD1 LEU A 851 -1.504 -2.429 -0.329 1.00 0.00 C ATOM 1157 CD2 LEU A 851 -2.774 -1.157 -2.066 1.00 0.00 C ATOM 0 H LEU A 851 -1.765 0.562 1.054 1.00 0.00 H new ATOM 0 HA LEU A 851 -4.534 0.796 0.169 1.00 0.00 H new ATOM 0 HB2 LEU A 851 -3.351 -1.756 1.175 1.00 0.00 H new ATOM 0 HB3 LEU A 851 -4.403 -1.475 -0.198 1.00 0.00 H new ATOM 0 HG LEU A 851 -1.688 -0.305 -0.440 1.00 0.00 H new ATOM 0 HD11 LEU A 851 -0.651 -2.470 -1.007 1.00 0.00 H new ATOM 0 HD12 LEU A 851 -1.148 -2.404 0.701 1.00 0.00 H new ATOM 0 HD13 LEU A 851 -2.128 -3.311 -0.476 1.00 0.00 H new ATOM 0 HD21 LEU A 851 -1.904 -1.215 -2.720 1.00 0.00 H new ATOM 0 HD22 LEU A 851 -3.427 -2.009 -2.254 1.00 0.00 H new ATOM 0 HD23 LEU A 851 -3.317 -0.233 -2.265 1.00 0.00 H new ATOM 1169 N ASN A 852 -3.793 0.723 3.241 1.00 0.00 N ATOM 1170 CA ASN A 852 -4.269 0.748 4.622 1.00 0.00 C ATOM 1171 C ASN A 852 -4.469 -0.658 5.155 1.00 0.00 C ATOM 1172 O ASN A 852 -5.394 -0.933 5.918 1.00 0.00 O ATOM 1173 CB ASN A 852 -5.552 1.563 4.765 1.00 0.00 C ATOM 1174 CG ASN A 852 -5.425 2.610 5.853 1.00 0.00 C ATOM 1175 OD1 ASN A 852 -4.439 2.642 6.599 1.00 0.00 O ATOM 1176 ND2 ASN A 852 -6.418 3.473 5.960 1.00 0.00 N ATOM 0 H ASN A 852 -2.864 1.128 3.123 1.00 0.00 H new ATOM 0 HA ASN A 852 -3.499 1.237 5.218 1.00 0.00 H new ATOM 0 HB2 ASN A 852 -5.784 2.048 3.817 1.00 0.00 H new ATOM 0 HB3 ASN A 852 -6.384 0.897 4.994 1.00 0.00 H new ATOM 0 HD21 ASN A 852 -6.388 4.198 6.677 1.00 0.00 H new ATOM 0 HD22 ASN A 852 -7.215 3.415 5.326 1.00 0.00 H new ATOM 1183 N LEU A 853 -3.575 -1.541 4.748 1.00 0.00 N ATOM 1184 CA LEU A 853 -3.569 -2.909 5.222 1.00 0.00 C ATOM 1185 C LEU A 853 -2.987 -2.951 6.631 1.00 0.00 C ATOM 1186 O LEU A 853 -1.805 -3.227 6.811 1.00 0.00 O ATOM 1187 CB LEU A 853 -2.747 -3.776 4.261 1.00 0.00 C ATOM 1188 CG LEU A 853 -3.563 -4.730 3.384 1.00 0.00 C ATOM 1189 CD1 LEU A 853 -2.645 -5.594 2.539 1.00 0.00 C ATOM 1190 CD2 LEU A 853 -4.480 -5.595 4.232 1.00 0.00 C ATOM 0 H LEU A 853 -2.834 -1.328 4.080 1.00 0.00 H new ATOM 0 HA LEU A 853 -4.586 -3.301 5.256 1.00 0.00 H new ATOM 0 HB2 LEU A 853 -2.165 -3.121 3.613 1.00 0.00 H new ATOM 0 HB3 LEU A 853 -2.036 -4.362 4.843 1.00 0.00 H new ATOM 0 HG LEU A 853 -4.183 -4.131 2.717 1.00 0.00 H new ATOM 0 HD11 LEU A 853 -3.243 -6.265 1.923 1.00 0.00 H new ATOM 0 HD12 LEU A 853 -2.036 -4.958 1.897 1.00 0.00 H new ATOM 0 HD13 LEU A 853 -1.996 -6.180 3.190 1.00 0.00 H new ATOM 0 HD21 LEU A 853 -5.049 -6.264 3.586 1.00 0.00 H new ATOM 0 HD22 LEU A 853 -3.883 -6.184 4.929 1.00 0.00 H new ATOM 0 HD23 LEU A 853 -5.167 -4.959 4.790 1.00 0.00 H new ATOM 1202 N VAL A 854 -3.840 -2.662 7.614 1.00 0.00 N ATOM 1203 CA VAL A 854 -3.428 -2.462 9.010 1.00 0.00 C ATOM 1204 C VAL A 854 -2.425 -3.505 9.511 1.00 0.00 C ATOM 1205 O VAL A 854 -1.313 -3.137 9.875 1.00 0.00 O ATOM 1206 CB VAL A 854 -4.635 -2.419 9.972 1.00 0.00 C ATOM 1207 CG1 VAL A 854 -4.271 -1.708 11.265 1.00 0.00 C ATOM 1208 CG2 VAL A 854 -5.824 -1.749 9.311 1.00 0.00 C ATOM 0 H VAL A 854 -4.844 -2.559 7.466 1.00 0.00 H new ATOM 0 HA VAL A 854 -2.928 -1.493 9.010 1.00 0.00 H new ATOM 0 HB VAL A 854 -4.911 -3.445 10.214 1.00 0.00 H new ATOM 0 HG11 VAL A 854 -5.137 -1.690 11.927 1.00 0.00 H new ATOM 0 HG12 VAL A 854 -3.452 -2.237 11.753 1.00 0.00 H new ATOM 0 HG13 VAL A 854 -3.962 -0.686 11.044 1.00 0.00 H new ATOM 0 HG21 VAL A 854 -6.663 -1.729 10.006 1.00 0.00 H new ATOM 0 HG22 VAL A 854 -5.559 -0.729 9.033 1.00 0.00 H new ATOM 0 HG23 VAL A 854 -6.106 -2.307 8.418 1.00 0.00 H new ATOM 1218 N PRO A 855 -2.780 -4.809 9.548 1.00 0.00 N ATOM 1219 CA PRO A 855 -1.871 -5.846 10.061 1.00 0.00 C ATOM 1220 C PRO A 855 -0.531 -5.858 9.325 1.00 0.00 C ATOM 1221 O PRO A 855 0.524 -6.017 9.940 1.00 0.00 O ATOM 1222 CB PRO A 855 -2.634 -7.153 9.824 1.00 0.00 C ATOM 1223 CG PRO A 855 -4.064 -6.745 9.745 1.00 0.00 C ATOM 1224 CD PRO A 855 -4.069 -5.383 9.113 1.00 0.00 C ATOM 0 HA PRO A 855 -1.616 -5.680 11.108 1.00 0.00 H new ATOM 0 HB2 PRO A 855 -2.310 -7.640 8.904 1.00 0.00 H new ATOM 0 HB3 PRO A 855 -2.468 -7.861 10.636 1.00 0.00 H new ATOM 0 HG2 PRO A 855 -4.640 -7.454 9.150 1.00 0.00 H new ATOM 0 HG3 PRO A 855 -4.518 -6.718 10.736 1.00 0.00 H new ATOM 0 HD2 PRO A 855 -4.138 -5.443 8.027 1.00 0.00 H new ATOM 0 HD3 PRO A 855 -4.913 -4.783 9.454 1.00 0.00 H new ATOM 1232 N GLY A 856 -0.581 -5.664 8.013 1.00 0.00 N ATOM 1233 CA GLY A 856 0.636 -5.623 7.219 1.00 0.00 C ATOM 1234 C GLY A 856 1.436 -4.357 7.461 1.00 0.00 C ATOM 1235 O GLY A 856 2.664 -4.395 7.545 1.00 0.00 O ATOM 0 H GLY A 856 -1.442 -5.534 7.483 1.00 0.00 H new ATOM 0 HA2 GLY A 856 1.252 -6.491 7.456 1.00 0.00 H new ATOM 0 HA3 GLY A 856 0.380 -5.693 6.162 1.00 0.00 H new ATOM 1239 N LYS A 857 0.737 -3.235 7.585 1.00 0.00 N ATOM 1240 CA LYS A 857 1.375 -1.952 7.850 1.00 0.00 C ATOM 1241 C LYS A 857 1.963 -1.944 9.260 1.00 0.00 C ATOM 1242 O LYS A 857 3.005 -1.341 9.505 1.00 0.00 O ATOM 1243 CB LYS A 857 0.366 -0.800 7.636 1.00 0.00 C ATOM 1244 CG LYS A 857 0.031 0.018 8.880 1.00 0.00 C ATOM 1245 CD LYS A 857 -1.396 0.551 8.835 1.00 0.00 C ATOM 1246 CE LYS A 857 -1.426 2.067 8.678 1.00 0.00 C ATOM 1247 NZ LYS A 857 -2.801 2.624 8.824 1.00 0.00 N ATOM 0 H LYS A 857 -0.279 -3.189 7.506 1.00 0.00 H new ATOM 0 HA LYS A 857 2.196 -1.801 7.149 1.00 0.00 H new ATOM 0 HB2 LYS A 857 0.764 -0.127 6.876 1.00 0.00 H new ATOM 0 HB3 LYS A 857 -0.558 -1.219 7.238 1.00 0.00 H new ATOM 0 HG2 LYS A 857 0.161 -0.600 9.768 1.00 0.00 H new ATOM 0 HG3 LYS A 857 0.728 0.851 8.967 1.00 0.00 H new ATOM 0 HD2 LYS A 857 -1.931 0.088 8.006 1.00 0.00 H new ATOM 0 HD3 LYS A 857 -1.919 0.269 9.749 1.00 0.00 H new ATOM 0 HE2 LYS A 857 -0.772 2.520 9.423 1.00 0.00 H new ATOM 0 HE3 LYS A 857 -1.029 2.337 7.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 857 -2.751 3.661 8.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 857 -3.376 2.348 8.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 857 -3.236 2.252 9.692 1.00 0.00 H new ATOM 1261 N GLN A 858 1.301 -2.647 10.175 1.00 0.00 N ATOM 1262 CA GLN A 858 1.794 -2.800 11.537 1.00 0.00 C ATOM 1263 C GLN A 858 3.052 -3.658 11.543 1.00 0.00 C ATOM 1264 O GLN A 858 3.998 -3.394 12.286 1.00 0.00 O ATOM 1265 CB GLN A 858 0.719 -3.435 12.423 1.00 0.00 C ATOM 1266 CG GLN A 858 -0.287 -2.435 12.970 1.00 0.00 C ATOM 1267 CD GLN A 858 0.242 -1.675 14.169 1.00 0.00 C ATOM 1268 OE1 GLN A 858 1.333 -1.111 14.126 1.00 0.00 O ATOM 1269 NE2 GLN A 858 -0.522 -1.656 15.248 1.00 0.00 N ATOM 0 H GLN A 858 0.416 -3.122 9.994 1.00 0.00 H new ATOM 0 HA GLN A 858 2.036 -1.814 11.935 1.00 0.00 H new ATOM 0 HB2 GLN A 858 0.188 -4.194 11.849 1.00 0.00 H new ATOM 0 HB3 GLN A 858 1.202 -3.945 13.257 1.00 0.00 H new ATOM 0 HG2 GLN A 858 -0.555 -1.728 12.185 1.00 0.00 H new ATOM 0 HG3 GLN A 858 -1.200 -2.960 13.251 1.00 0.00 H new ATOM 0 HE21 GLN A 858 -1.422 -2.137 15.244 1.00 0.00 H new ATOM 0 HE22 GLN A 858 -0.212 -1.161 16.084 1.00 0.00 H new ATOM 1278 N LEU A 859 3.060 -4.685 10.700 1.00 0.00 N ATOM 1279 CA LEU A 859 4.235 -5.527 10.532 1.00 0.00 C ATOM 1280 C LEU A 859 5.413 -4.694 10.039 1.00 0.00 C ATOM 1281 O LEU A 859 6.531 -4.841 10.525 1.00 0.00 O ATOM 1282 CB LEU A 859 3.950 -6.661 9.544 1.00 0.00 C ATOM 1283 CG LEU A 859 3.199 -7.862 10.124 1.00 0.00 C ATOM 1284 CD1 LEU A 859 2.660 -8.744 9.008 1.00 0.00 C ATOM 1285 CD2 LEU A 859 4.100 -8.663 11.051 1.00 0.00 C ATOM 0 H LEU A 859 2.263 -4.953 10.122 1.00 0.00 H new ATOM 0 HA LEU A 859 4.485 -5.962 11.499 1.00 0.00 H new ATOM 0 HB2 LEU A 859 3.371 -6.259 8.712 1.00 0.00 H new ATOM 0 HB3 LEU A 859 4.898 -7.010 9.134 1.00 0.00 H new ATOM 0 HG LEU A 859 2.356 -7.490 10.706 1.00 0.00 H new ATOM 0 HD11 LEU A 859 2.129 -9.593 9.439 1.00 0.00 H new ATOM 0 HD12 LEU A 859 1.976 -8.166 8.386 1.00 0.00 H new ATOM 0 HD13 LEU A 859 3.488 -9.106 8.398 1.00 0.00 H new ATOM 0 HD21 LEU A 859 3.547 -9.512 11.452 1.00 0.00 H new ATOM 0 HD22 LEU A 859 4.965 -9.024 10.495 1.00 0.00 H new ATOM 0 HD23 LEU A 859 4.435 -8.028 11.871 1.00 0.00 H new ATOM 1297 N CYS A 860 5.146 -3.807 9.085 1.00 0.00 N ATOM 1298 CA CYS A 860 6.170 -2.920 8.546 1.00 0.00 C ATOM 1299 C CYS A 860 6.632 -1.912 9.600 1.00 0.00 C ATOM 1300 O CYS A 860 7.820 -1.598 9.685 1.00 0.00 O ATOM 1301 CB CYS A 860 5.636 -2.187 7.315 1.00 0.00 C ATOM 1302 SG CYS A 860 4.999 -3.286 6.028 1.00 0.00 S ATOM 0 H CYS A 860 4.223 -3.684 8.668 1.00 0.00 H new ATOM 0 HA CYS A 860 7.028 -3.527 8.256 1.00 0.00 H new ATOM 0 HB2 CYS A 860 4.842 -1.508 7.625 1.00 0.00 H new ATOM 0 HB3 CYS A 860 6.434 -1.575 6.894 1.00 0.00 H new ATOM 0 HG CYS A 860 3.854 -3.775 6.403 1.00 0.00 H new ATOM 1308 N GLU A 861 5.688 -1.408 10.393 1.00 0.00 N ATOM 1309 CA GLU A 861 6.006 -0.519 11.508 1.00 0.00 C ATOM 1310 C GLU A 861 7.013 -1.186 12.436 1.00 0.00 C ATOM 1311 O GLU A 861 8.079 -0.640 12.726 1.00 0.00 O ATOM 1312 CB GLU A 861 4.736 -0.173 12.292 1.00 0.00 C ATOM 1313 CG GLU A 861 3.957 0.999 11.721 1.00 0.00 C ATOM 1314 CD GLU A 861 4.693 2.314 11.870 1.00 0.00 C ATOM 1315 OE1 GLU A 861 5.556 2.423 12.765 1.00 0.00 O ATOM 1316 OE2 GLU A 861 4.425 3.241 11.079 1.00 0.00 O ATOM 0 H GLU A 861 4.693 -1.602 10.283 1.00 0.00 H new ATOM 0 HA GLU A 861 6.437 0.399 11.108 1.00 0.00 H new ATOM 0 HB2 GLU A 861 4.088 -1.049 12.318 1.00 0.00 H new ATOM 0 HB3 GLU A 861 5.008 0.053 13.323 1.00 0.00 H new ATOM 0 HG2 GLU A 861 3.755 0.817 10.665 1.00 0.00 H new ATOM 0 HG3 GLU A 861 2.992 1.068 12.223 1.00 0.00 H new ATOM 1323 N THR A 862 6.677 -2.391 12.872 1.00 0.00 N ATOM 1324 CA THR A 862 7.546 -3.153 13.749 1.00 0.00 C ATOM 1325 C THR A 862 8.832 -3.560 13.032 1.00 0.00 C ATOM 1326 O THR A 862 9.881 -3.670 13.655 1.00 0.00 O ATOM 1327 CB THR A 862 6.837 -4.407 14.297 1.00 0.00 C ATOM 1328 OG1 THR A 862 5.422 -4.173 14.387 1.00 0.00 O ATOM 1329 CG2 THR A 862 7.381 -4.773 15.672 1.00 0.00 C ATOM 0 H THR A 862 5.805 -2.861 12.630 1.00 0.00 H new ATOM 0 HA THR A 862 7.800 -2.505 14.588 1.00 0.00 H new ATOM 0 HB THR A 862 7.025 -5.234 13.612 1.00 0.00 H new ATOM 0 HG1 THR A 862 5.017 -4.271 13.500 1.00 0.00 H new ATOM 0 HG21 THR A 862 6.868 -5.661 16.042 1.00 0.00 H new ATOM 0 HG22 THR A 862 8.449 -4.976 15.598 1.00 0.00 H new ATOM 0 HG23 THR A 862 7.215 -3.945 16.361 1.00 0.00 H new ATOM 1337 N LEU A 863 8.747 -3.770 11.722 1.00 0.00 N ATOM 1338 CA LEU A 863 9.921 -4.106 10.924 1.00 0.00 C ATOM 1339 C LEU A 863 10.945 -2.978 10.982 1.00 0.00 C ATOM 1340 O LEU A 863 12.108 -3.205 11.308 1.00 0.00 O ATOM 1341 CB LEU A 863 9.528 -4.379 9.470 1.00 0.00 C ATOM 1342 CG LEU A 863 9.932 -5.754 8.919 1.00 0.00 C ATOM 1343 CD1 LEU A 863 10.191 -5.669 7.422 1.00 0.00 C ATOM 1344 CD2 LEU A 863 11.161 -6.291 9.642 1.00 0.00 C ATOM 0 H LEU A 863 7.878 -3.713 11.191 1.00 0.00 H new ATOM 0 HA LEU A 863 10.366 -5.010 11.340 1.00 0.00 H new ATOM 0 HB2 LEU A 863 8.447 -4.275 9.379 1.00 0.00 H new ATOM 0 HB3 LEU A 863 9.976 -3.610 8.841 1.00 0.00 H new ATOM 0 HG LEU A 863 9.108 -6.446 9.093 1.00 0.00 H new ATOM 0 HD11 LEU A 863 10.476 -6.651 7.046 1.00 0.00 H new ATOM 0 HD12 LEU A 863 9.286 -5.335 6.915 1.00 0.00 H new ATOM 0 HD13 LEU A 863 10.996 -4.960 7.232 1.00 0.00 H new ATOM 0 HD21 LEU A 863 11.427 -7.266 9.233 1.00 0.00 H new ATOM 0 HD22 LEU A 863 11.994 -5.601 9.506 1.00 0.00 H new ATOM 0 HD23 LEU A 863 10.943 -6.391 10.705 1.00 0.00 H new ATOM 1356 N GLU A 864 10.499 -1.759 10.691 1.00 0.00 N ATOM 1357 CA GLU A 864 11.370 -0.589 10.752 1.00 0.00 C ATOM 1358 C GLU A 864 11.908 -0.401 12.167 1.00 0.00 C ATOM 1359 O GLU A 864 13.053 0.006 12.362 1.00 0.00 O ATOM 1360 CB GLU A 864 10.615 0.665 10.303 1.00 0.00 C ATOM 1361 CG GLU A 864 10.851 1.024 8.843 1.00 0.00 C ATOM 1362 CD GLU A 864 10.614 2.492 8.549 1.00 0.00 C ATOM 1363 OE1 GLU A 864 11.171 3.348 9.267 1.00 0.00 O ATOM 1364 OE2 GLU A 864 9.873 2.799 7.595 1.00 0.00 O ATOM 0 H GLU A 864 9.540 -1.556 10.411 1.00 0.00 H new ATOM 0 HA GLU A 864 12.210 -0.750 10.076 1.00 0.00 H new ATOM 0 HB2 GLU A 864 9.548 0.514 10.464 1.00 0.00 H new ATOM 0 HB3 GLU A 864 10.916 1.505 10.929 1.00 0.00 H new ATOM 0 HG2 GLU A 864 11.875 0.765 8.572 1.00 0.00 H new ATOM 0 HG3 GLU A 864 10.193 0.423 8.216 1.00 0.00 H new ATOM 1371 N HIS A 865 11.070 -0.715 13.142 1.00 0.00 N ATOM 1372 CA HIS A 865 11.450 -0.659 14.549 1.00 0.00 C ATOM 1373 C HIS A 865 12.494 -1.729 14.874 1.00 0.00 C ATOM 1374 O HIS A 865 13.391 -1.504 15.677 1.00 0.00 O ATOM 1375 CB HIS A 865 10.203 -0.857 15.417 1.00 0.00 C ATOM 1376 CG HIS A 865 10.331 -0.354 16.818 1.00 0.00 C ATOM 1377 ND1 HIS A 865 10.011 0.933 17.192 1.00 0.00 N ATOM 1378 CD2 HIS A 865 10.703 -0.991 17.951 1.00 0.00 C ATOM 1379 CE1 HIS A 865 10.183 1.064 18.494 1.00 0.00 C ATOM 1380 NE2 HIS A 865 10.598 -0.090 18.979 1.00 0.00 N ATOM 0 H HIS A 865 10.108 -1.016 12.983 1.00 0.00 H new ATOM 0 HA HIS A 865 11.891 0.316 14.758 1.00 0.00 H new ATOM 0 HB2 HIS A 865 9.362 -0.354 14.940 1.00 0.00 H new ATOM 0 HB3 HIS A 865 9.963 -1.920 15.448 1.00 0.00 H new ATOM 0 HD2 HIS A 865 11.024 -2.019 18.031 1.00 0.00 H new ATOM 0 HE1 HIS A 865 10.013 1.964 19.066 1.00 0.00 H new ATOM 0 HE2 HIS A 865 10.807 -0.281 19.959 1.00 0.00 H new ATOM 1389 N LEU A 866 12.376 -2.889 14.249 1.00 0.00 N ATOM 1390 CA LEU A 866 13.334 -3.965 14.460 1.00 0.00 C ATOM 1391 C LEU A 866 14.640 -3.669 13.731 1.00 0.00 C ATOM 1392 O LEU A 866 15.716 -4.034 14.200 1.00 0.00 O ATOM 1393 CB LEU A 866 12.751 -5.299 13.994 1.00 0.00 C ATOM 1394 CG LEU A 866 11.726 -5.918 14.946 1.00 0.00 C ATOM 1395 CD1 LEU A 866 10.747 -6.801 14.184 1.00 0.00 C ATOM 1396 CD2 LEU A 866 12.423 -6.714 16.039 1.00 0.00 C ATOM 0 H LEU A 866 11.628 -3.111 13.592 1.00 0.00 H new ATOM 0 HA LEU A 866 13.544 -4.035 15.527 1.00 0.00 H new ATOM 0 HB2 LEU A 866 12.281 -5.154 13.021 1.00 0.00 H new ATOM 0 HB3 LEU A 866 13.568 -6.007 13.852 1.00 0.00 H new ATOM 0 HG LEU A 866 11.164 -5.110 15.414 1.00 0.00 H new ATOM 0 HD11 LEU A 866 10.027 -7.231 14.880 1.00 0.00 H new ATOM 0 HD12 LEU A 866 10.220 -6.203 13.441 1.00 0.00 H new ATOM 0 HD13 LEU A 866 11.292 -7.602 13.685 1.00 0.00 H new ATOM 0 HD21 LEU A 866 11.677 -7.146 16.706 1.00 0.00 H new ATOM 0 HD22 LEU A 866 13.013 -7.512 15.588 1.00 0.00 H new ATOM 0 HD23 LEU A 866 13.079 -6.055 16.607 1.00 0.00 H new ATOM 1408 N ILE A 867 14.545 -3.004 12.584 1.00 0.00 N ATOM 1409 CA ILE A 867 15.730 -2.584 11.844 1.00 0.00 C ATOM 1410 C ILE A 867 16.433 -1.450 12.582 1.00 0.00 C ATOM 1411 O ILE A 867 17.663 -1.389 12.631 1.00 0.00 O ATOM 1412 CB ILE A 867 15.380 -2.133 10.406 1.00 0.00 C ATOM 1413 CG1 ILE A 867 14.769 -3.299 9.620 1.00 0.00 C ATOM 1414 CG2 ILE A 867 16.615 -1.604 9.690 1.00 0.00 C ATOM 1415 CD1 ILE A 867 14.032 -2.869 8.370 1.00 0.00 C ATOM 0 H ILE A 867 13.661 -2.745 12.147 1.00 0.00 H new ATOM 0 HA ILE A 867 16.395 -3.445 11.773 1.00 0.00 H new ATOM 0 HB ILE A 867 14.649 -1.327 10.467 1.00 0.00 H new ATOM 0 HG12 ILE A 867 15.562 -3.994 9.343 1.00 0.00 H new ATOM 0 HG13 ILE A 867 14.081 -3.842 10.268 1.00 0.00 H new ATOM 0 HG21 ILE A 867 16.345 -1.293 8.681 1.00 0.00 H new ATOM 0 HG22 ILE A 867 17.016 -0.751 10.238 1.00 0.00 H new ATOM 0 HG23 ILE A 867 17.370 -2.389 9.638 1.00 0.00 H new ATOM 0 HD11 ILE A 867 13.627 -3.747 7.866 1.00 0.00 H new ATOM 0 HD12 ILE A 867 13.217 -2.198 8.641 1.00 0.00 H new ATOM 0 HD13 ILE A 867 14.720 -2.352 7.701 1.00 0.00 H new ATOM 1427 N ARG A 868 15.642 -0.564 13.178 1.00 0.00 N ATOM 1428 CA ARG A 868 16.186 0.541 13.949 1.00 0.00 C ATOM 1429 C ARG A 868 16.871 0.019 15.213 1.00 0.00 C ATOM 1430 O ARG A 868 17.891 0.553 15.643 1.00 0.00 O ATOM 1431 CB ARG A 868 15.077 1.552 14.292 1.00 0.00 C ATOM 1432 CG ARG A 868 14.359 1.286 15.600 1.00 0.00 C ATOM 1433 CD ARG A 868 14.902 2.135 16.735 1.00 0.00 C ATOM 1434 NE ARG A 868 15.631 3.312 16.257 1.00 0.00 N ATOM 1435 CZ ARG A 868 15.969 4.346 17.024 1.00 0.00 C ATOM 1436 NH1 ARG A 868 15.585 4.402 18.292 1.00 0.00 N ATOM 1437 NH2 ARG A 868 16.673 5.342 16.505 1.00 0.00 N ATOM 0 H ARG A 868 14.623 -0.592 13.140 1.00 0.00 H new ATOM 0 HA ARG A 868 16.935 1.056 13.348 1.00 0.00 H new ATOM 0 HB2 ARG A 868 15.513 2.550 14.329 1.00 0.00 H new ATOM 0 HB3 ARG A 868 14.344 1.554 13.485 1.00 0.00 H new ATOM 0 HG2 ARG A 868 13.295 1.486 15.476 1.00 0.00 H new ATOM 0 HG3 ARG A 868 14.457 0.232 15.858 1.00 0.00 H new ATOM 0 HD2 ARG A 868 14.077 2.456 17.371 1.00 0.00 H new ATOM 0 HD3 ARG A 868 15.564 1.529 17.354 1.00 0.00 H new ATOM 0 HE ARG A 868 15.897 3.341 15.273 1.00 0.00 H new ATOM 0 HH11 ARG A 868 15.025 3.648 18.689 1.00 0.00 H new ATOM 0 HH12 ARG A 868 15.850 5.199 18.870 1.00 0.00 H new ATOM 0 HH21 ARG A 868 16.952 5.313 15.524 1.00 0.00 H new ATOM 0 HH22 ARG A 868 16.936 6.138 17.086 1.00 0.00 H new ATOM 1451 N GLU A 869 16.308 -1.035 15.792 1.00 0.00 N ATOM 1452 CA GLU A 869 16.866 -1.646 16.985 1.00 0.00 C ATOM 1453 C GLU A 869 17.939 -2.670 16.618 1.00 0.00 C ATOM 1454 O GLU A 869 18.581 -3.250 17.496 1.00 0.00 O ATOM 1455 CB GLU A 869 15.749 -2.318 17.780 1.00 0.00 C ATOM 1456 CG GLU A 869 15.094 -1.423 18.817 1.00 0.00 C ATOM 1457 CD GLU A 869 16.081 -0.610 19.631 1.00 0.00 C ATOM 1458 OE1 GLU A 869 17.174 -1.122 19.946 1.00 0.00 O ATOM 1459 OE2 GLU A 869 15.750 0.543 19.977 1.00 0.00 O ATOM 0 H GLU A 869 15.459 -1.485 15.449 1.00 0.00 H new ATOM 0 HA GLU A 869 17.331 -0.871 17.594 1.00 0.00 H new ATOM 0 HB2 GLU A 869 14.985 -2.669 17.086 1.00 0.00 H new ATOM 0 HB3 GLU A 869 16.154 -3.198 18.280 1.00 0.00 H new ATOM 0 HG2 GLU A 869 14.405 -0.744 18.315 1.00 0.00 H new ATOM 0 HG3 GLU A 869 14.500 -2.039 19.492 1.00 0.00 H new ATOM 1466 N LYS A 870 18.120 -2.875 15.314 1.00 0.00 N ATOM 1467 CA LYS A 870 19.106 -3.817 14.789 1.00 0.00 C ATOM 1468 C LYS A 870 18.901 -5.211 15.380 1.00 0.00 C ATOM 1469 O LYS A 870 19.817 -5.792 15.964 1.00 0.00 O ATOM 1470 CB LYS A 870 20.532 -3.319 15.061 1.00 0.00 C ATOM 1471 CG LYS A 870 20.894 -2.064 14.287 1.00 0.00 C ATOM 1472 CD LYS A 870 21.792 -2.383 13.104 1.00 0.00 C ATOM 1473 CE LYS A 870 21.652 -1.340 12.008 1.00 0.00 C ATOM 1474 NZ LYS A 870 22.965 -0.767 11.609 1.00 0.00 N ATOM 0 H LYS A 870 17.586 -2.392 14.591 1.00 0.00 H new ATOM 0 HA LYS A 870 18.966 -3.883 13.710 1.00 0.00 H new ATOM 0 HB2 LYS A 870 20.642 -3.123 16.128 1.00 0.00 H new ATOM 0 HB3 LYS A 870 21.239 -4.109 14.807 1.00 0.00 H new ATOM 0 HG2 LYS A 870 19.985 -1.577 13.935 1.00 0.00 H new ATOM 0 HG3 LYS A 870 21.398 -1.359 14.949 1.00 0.00 H new ATOM 0 HD2 LYS A 870 22.830 -2.429 13.434 1.00 0.00 H new ATOM 0 HD3 LYS A 870 21.539 -3.366 12.708 1.00 0.00 H new ATOM 0 HE2 LYS A 870 21.175 -1.791 11.138 1.00 0.00 H new ATOM 0 HE3 LYS A 870 20.997 -0.539 12.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 870 22.822 -0.060 10.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 870 23.410 -0.313 12.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 870 23.582 -1.526 11.256 1.00 0.00 H new ATOM 1488 N ASP A 871 17.689 -5.731 15.232 1.00 0.00 N ATOM 1489 CA ASP A 871 17.348 -7.057 15.733 1.00 0.00 C ATOM 1490 C ASP A 871 17.069 -8.003 14.572 1.00 0.00 C ATOM 1491 O ASP A 871 15.927 -8.136 14.128 1.00 0.00 O ATOM 1492 CB ASP A 871 16.127 -6.980 16.659 1.00 0.00 C ATOM 1493 CG ASP A 871 16.057 -8.135 17.640 1.00 0.00 C ATOM 1494 OD1 ASP A 871 16.917 -9.036 17.576 1.00 0.00 O ATOM 1495 OD2 ASP A 871 15.143 -8.137 18.491 1.00 0.00 O ATOM 0 H ASP A 871 16.920 -5.250 14.765 1.00 0.00 H new ATOM 0 HA ASP A 871 18.194 -7.441 16.303 1.00 0.00 H new ATOM 0 HB2 ASP A 871 16.155 -6.041 17.212 1.00 0.00 H new ATOM 0 HB3 ASP A 871 15.220 -6.967 16.055 1.00 0.00 H new ATOM 1500 N VAL A 872 18.120 -8.659 14.088 1.00 0.00 N ATOM 1501 CA VAL A 872 18.030 -9.523 12.907 1.00 0.00 C ATOM 1502 C VAL A 872 16.951 -10.608 13.048 1.00 0.00 C ATOM 1503 O VAL A 872 16.099 -10.732 12.171 1.00 0.00 O ATOM 1504 CB VAL A 872 19.384 -10.185 12.571 1.00 0.00 C ATOM 1505 CG1 VAL A 872 19.299 -10.946 11.253 1.00 0.00 C ATOM 1506 CG2 VAL A 872 20.488 -9.140 12.512 1.00 0.00 C ATOM 0 H VAL A 872 19.053 -8.610 14.497 1.00 0.00 H new ATOM 0 HA VAL A 872 17.745 -8.865 12.086 1.00 0.00 H new ATOM 0 HB VAL A 872 19.623 -10.896 13.362 1.00 0.00 H new ATOM 0 HG11 VAL A 872 20.263 -11.405 11.035 1.00 0.00 H new ATOM 0 HG12 VAL A 872 18.537 -11.722 11.329 1.00 0.00 H new ATOM 0 HG13 VAL A 872 19.036 -10.256 10.451 1.00 0.00 H new ATOM 0 HG21 VAL A 872 21.435 -9.624 12.274 1.00 0.00 H new ATOM 0 HG22 VAL A 872 20.253 -8.405 11.742 1.00 0.00 H new ATOM 0 HG23 VAL A 872 20.568 -8.641 13.478 1.00 0.00 H new ATOM 1516 N PRO A 873 16.958 -11.411 14.139 1.00 0.00 N ATOM 1517 CA PRO A 873 15.947 -12.459 14.348 1.00 0.00 C ATOM 1518 C PRO A 873 14.518 -11.930 14.225 1.00 0.00 C ATOM 1519 O PRO A 873 13.663 -12.559 13.591 1.00 0.00 O ATOM 1520 CB PRO A 873 16.218 -12.936 15.775 1.00 0.00 C ATOM 1521 CG PRO A 873 17.661 -12.648 15.998 1.00 0.00 C ATOM 1522 CD PRO A 873 17.951 -11.386 15.234 1.00 0.00 C ATOM 0 HA PRO A 873 16.021 -13.246 13.598 1.00 0.00 H new ATOM 0 HB2 PRO A 873 15.592 -12.409 16.495 1.00 0.00 H new ATOM 0 HB3 PRO A 873 16.004 -13.999 15.885 1.00 0.00 H new ATOM 0 HG2 PRO A 873 17.875 -12.520 17.059 1.00 0.00 H new ATOM 0 HG3 PRO A 873 18.283 -13.470 15.645 1.00 0.00 H new ATOM 0 HD2 PRO A 873 17.836 -10.502 15.861 1.00 0.00 H new ATOM 0 HD3 PRO A 873 18.971 -11.374 14.851 1.00 0.00 H new ATOM 1530 N GLY A 874 14.268 -10.769 14.824 1.00 0.00 N ATOM 1531 CA GLY A 874 12.959 -10.157 14.732 1.00 0.00 C ATOM 1532 C GLY A 874 12.640 -9.734 13.314 1.00 0.00 C ATOM 1533 O GLY A 874 11.540 -9.982 12.818 1.00 0.00 O ATOM 0 H GLY A 874 14.950 -10.243 15.371 1.00 0.00 H new ATOM 0 HA2 GLY A 874 12.203 -10.860 15.081 1.00 0.00 H new ATOM 0 HA3 GLY A 874 12.916 -9.289 15.390 1.00 0.00 H new ATOM 1537 N ILE A 875 13.612 -9.105 12.662 1.00 0.00 N ATOM 1538 CA ILE A 875 13.464 -8.686 11.274 1.00 0.00 C ATOM 1539 C ILE A 875 13.139 -9.883 10.388 1.00 0.00 C ATOM 1540 O ILE A 875 12.180 -9.852 9.617 1.00 0.00 O ATOM 1541 CB ILE A 875 14.752 -8.002 10.755 1.00 0.00 C ATOM 1542 CG1 ILE A 875 14.994 -6.677 11.480 1.00 0.00 C ATOM 1543 CG2 ILE A 875 14.677 -7.775 9.253 1.00 0.00 C ATOM 1544 CD1 ILE A 875 16.432 -6.205 11.410 1.00 0.00 C ATOM 0 H ILE A 875 14.515 -8.873 13.076 1.00 0.00 H new ATOM 0 HA ILE A 875 12.645 -7.968 11.233 1.00 0.00 H new ATOM 0 HB ILE A 875 15.590 -8.667 10.962 1.00 0.00 H new ATOM 0 HG12 ILE A 875 14.347 -5.913 11.049 1.00 0.00 H new ATOM 0 HG13 ILE A 875 14.706 -6.786 12.526 1.00 0.00 H new ATOM 0 HG21 ILE A 875 15.593 -7.293 8.912 1.00 0.00 H new ATOM 0 HG22 ILE A 875 14.560 -8.733 8.746 1.00 0.00 H new ATOM 0 HG23 ILE A 875 13.824 -7.136 9.024 1.00 0.00 H new ATOM 0 HD11 ILE A 875 16.531 -5.260 11.945 1.00 0.00 H new ATOM 0 HD12 ILE A 875 17.082 -6.951 11.867 1.00 0.00 H new ATOM 0 HD13 ILE A 875 16.718 -6.064 10.368 1.00 0.00 H new ATOM 1556 N GLU A 876 13.931 -10.942 10.528 1.00 0.00 N ATOM 1557 CA GLU A 876 13.768 -12.147 9.723 1.00 0.00 C ATOM 1558 C GLU A 876 12.347 -12.686 9.826 1.00 0.00 C ATOM 1559 O GLU A 876 11.666 -12.857 8.809 1.00 0.00 O ATOM 1560 CB GLU A 876 14.756 -13.221 10.183 1.00 0.00 C ATOM 1561 CG GLU A 876 16.158 -13.050 9.623 1.00 0.00 C ATOM 1562 CD GLU A 876 16.767 -14.367 9.190 1.00 0.00 C ATOM 1563 OE1 GLU A 876 16.482 -14.818 8.060 1.00 0.00 O ATOM 1564 OE2 GLU A 876 17.529 -14.963 9.979 1.00 0.00 O ATOM 0 H GLU A 876 14.699 -10.989 11.198 1.00 0.00 H new ATOM 0 HA GLU A 876 13.966 -11.888 8.683 1.00 0.00 H new ATOM 0 HB2 GLU A 876 14.807 -13.211 11.272 1.00 0.00 H new ATOM 0 HB3 GLU A 876 14.376 -14.200 9.890 1.00 0.00 H new ATOM 0 HG2 GLU A 876 16.127 -12.369 8.772 1.00 0.00 H new ATOM 0 HG3 GLU A 876 16.795 -12.588 10.378 1.00 0.00 H new ATOM 1571 N LYS A 877 11.898 -12.912 11.058 1.00 0.00 N ATOM 1572 CA LYS A 877 10.574 -13.474 11.308 1.00 0.00 C ATOM 1573 C LYS A 877 9.481 -12.595 10.713 1.00 0.00 C ATOM 1574 O LYS A 877 8.525 -13.095 10.121 1.00 0.00 O ATOM 1575 CB LYS A 877 10.338 -13.638 12.814 1.00 0.00 C ATOM 1576 CG LYS A 877 10.014 -15.065 13.243 1.00 0.00 C ATOM 1577 CD LYS A 877 8.876 -15.666 12.428 1.00 0.00 C ATOM 1578 CE LYS A 877 7.532 -15.500 13.125 1.00 0.00 C ATOM 1579 NZ LYS A 877 6.399 -15.553 12.162 1.00 0.00 N ATOM 0 H LYS A 877 12.435 -12.713 11.902 1.00 0.00 H new ATOM 0 HA LYS A 877 10.533 -14.451 10.827 1.00 0.00 H new ATOM 0 HB2 LYS A 877 11.227 -13.303 13.349 1.00 0.00 H new ATOM 0 HB3 LYS A 877 9.519 -12.985 13.116 1.00 0.00 H new ATOM 0 HG2 LYS A 877 10.903 -15.686 13.135 1.00 0.00 H new ATOM 0 HG3 LYS A 877 9.746 -15.073 14.299 1.00 0.00 H new ATOM 0 HD2 LYS A 877 8.839 -15.189 11.449 1.00 0.00 H new ATOM 0 HD3 LYS A 877 9.070 -16.725 12.259 1.00 0.00 H new ATOM 0 HE2 LYS A 877 7.411 -16.284 13.872 1.00 0.00 H new ATOM 0 HE3 LYS A 877 7.513 -14.548 13.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 877 5.763 -14.748 12.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 877 6.767 -15.507 11.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 877 5.874 -16.442 12.292 1.00 0.00 H new ATOM 1593 N TYR A 878 9.633 -11.287 10.855 1.00 0.00 N ATOM 1594 CA TYR A 878 8.605 -10.356 10.422 1.00 0.00 C ATOM 1595 C TYR A 878 8.553 -10.239 8.904 1.00 0.00 C ATOM 1596 O TYR A 878 7.481 -10.047 8.335 1.00 0.00 O ATOM 1597 CB TYR A 878 8.803 -8.992 11.076 1.00 0.00 C ATOM 1598 CG TYR A 878 8.106 -8.896 12.415 1.00 0.00 C ATOM 1599 CD1 TYR A 878 8.315 -9.862 13.391 1.00 0.00 C ATOM 1600 CD2 TYR A 878 7.223 -7.860 12.697 1.00 0.00 C ATOM 1601 CE1 TYR A 878 7.669 -9.800 14.608 1.00 0.00 C ATOM 1602 CE2 TYR A 878 6.576 -7.791 13.916 1.00 0.00 C ATOM 1603 CZ TYR A 878 6.801 -8.764 14.865 1.00 0.00 C ATOM 1604 OH TYR A 878 6.152 -8.703 16.079 1.00 0.00 O ATOM 0 H TYR A 878 10.457 -10.848 11.266 1.00 0.00 H new ATOM 0 HA TYR A 878 7.642 -10.752 10.745 1.00 0.00 H new ATOM 0 HB2 TYR A 878 9.869 -8.805 11.208 1.00 0.00 H new ATOM 0 HB3 TYR A 878 8.423 -8.214 10.414 1.00 0.00 H new ATOM 0 HD1 TYR A 878 8.996 -10.677 13.193 1.00 0.00 H new ATOM 0 HD2 TYR A 878 7.040 -7.099 11.953 1.00 0.00 H new ATOM 0 HE1 TYR A 878 7.844 -10.560 15.355 1.00 0.00 H new ATOM 0 HE2 TYR A 878 5.897 -6.978 14.124 1.00 0.00 H new ATOM 0 HH TYR A 878 5.576 -7.911 16.102 1.00 0.00 H new ATOM 1614 N ILE A 879 9.697 -10.367 8.243 1.00 0.00 N ATOM 1615 CA ILE A 879 9.709 -10.391 6.787 1.00 0.00 C ATOM 1616 C ILE A 879 8.961 -11.623 6.284 1.00 0.00 C ATOM 1617 O ILE A 879 8.204 -11.550 5.314 1.00 0.00 O ATOM 1618 CB ILE A 879 11.139 -10.380 6.198 1.00 0.00 C ATOM 1619 CG1 ILE A 879 11.907 -9.145 6.667 1.00 0.00 C ATOM 1620 CG2 ILE A 879 11.089 -10.410 4.677 1.00 0.00 C ATOM 1621 CD1 ILE A 879 13.359 -9.134 6.230 1.00 0.00 C ATOM 0 H ILE A 879 10.613 -10.454 8.683 1.00 0.00 H new ATOM 0 HA ILE A 879 9.213 -9.480 6.451 1.00 0.00 H new ATOM 0 HB ILE A 879 11.657 -11.271 6.553 1.00 0.00 H new ATOM 0 HG12 ILE A 879 11.413 -8.252 6.283 1.00 0.00 H new ATOM 0 HG13 ILE A 879 11.863 -9.091 7.755 1.00 0.00 H new ATOM 0 HG21 ILE A 879 12.104 -10.402 4.279 1.00 0.00 H new ATOM 0 HG22 ILE A 879 10.577 -11.314 4.348 1.00 0.00 H new ATOM 0 HG23 ILE A 879 10.550 -9.535 4.313 1.00 0.00 H new ATOM 0 HD11 ILE A 879 13.843 -8.229 6.598 1.00 0.00 H new ATOM 0 HD12 ILE A 879 13.868 -10.008 6.636 1.00 0.00 H new ATOM 0 HD13 ILE A 879 13.412 -9.157 5.142 1.00 0.00 H new ATOM 1633 N SER A 880 9.149 -12.755 6.962 1.00 0.00 N ATOM 1634 CA SER A 880 8.436 -13.969 6.590 1.00 0.00 C ATOM 1635 C SER A 880 6.953 -13.835 6.914 1.00 0.00 C ATOM 1636 O SER A 880 6.108 -14.427 6.248 1.00 0.00 O ATOM 1637 CB SER A 880 9.020 -15.194 7.294 1.00 0.00 C ATOM 1638 OG SER A 880 10.198 -14.873 8.013 1.00 0.00 O ATOM 0 H SER A 880 9.779 -12.854 7.758 1.00 0.00 H new ATOM 0 HA SER A 880 8.554 -14.108 5.515 1.00 0.00 H new ATOM 0 HB2 SER A 880 8.279 -15.609 7.977 1.00 0.00 H new ATOM 0 HB3 SER A 880 9.242 -15.966 6.557 1.00 0.00 H new ATOM 0 HG SER A 880 10.543 -15.679 8.452 1.00 0.00 H new ATOM 1644 N ASP A 881 6.637 -13.046 7.934 1.00 0.00 N ATOM 1645 CA ASP A 881 5.249 -12.798 8.311 1.00 0.00 C ATOM 1646 C ASP A 881 4.558 -11.928 7.266 1.00 0.00 C ATOM 1647 O ASP A 881 3.379 -12.106 6.973 1.00 0.00 O ATOM 1648 CB ASP A 881 5.171 -12.130 9.686 1.00 0.00 C ATOM 1649 CG ASP A 881 4.933 -13.126 10.803 1.00 0.00 C ATOM 1650 OD1 ASP A 881 4.089 -14.025 10.639 1.00 0.00 O ATOM 1651 OD2 ASP A 881 5.609 -13.024 11.848 1.00 0.00 O ATOM 0 H ASP A 881 7.323 -12.566 8.516 1.00 0.00 H new ATOM 0 HA ASP A 881 4.736 -13.758 8.363 1.00 0.00 H new ATOM 0 HB2 ASP A 881 6.098 -11.590 9.877 1.00 0.00 H new ATOM 0 HB3 ASP A 881 4.368 -11.393 9.683 1.00 0.00 H new ATOM 1656 N ILE A 882 5.299 -10.988 6.696 1.00 0.00 N ATOM 1657 CA ILE A 882 4.794 -10.181 5.593 1.00 0.00 C ATOM 1658 C ILE A 882 4.647 -11.043 4.338 1.00 0.00 C ATOM 1659 O ILE A 882 3.728 -10.854 3.538 1.00 0.00 O ATOM 1660 CB ILE A 882 5.718 -8.973 5.302 1.00 0.00 C ATOM 1661 CG1 ILE A 882 5.731 -8.021 6.500 1.00 0.00 C ATOM 1662 CG2 ILE A 882 5.270 -8.233 4.048 1.00 0.00 C ATOM 1663 CD1 ILE A 882 6.924 -7.093 6.524 1.00 0.00 C ATOM 0 H ILE A 882 6.253 -10.765 6.979 1.00 0.00 H new ATOM 0 HA ILE A 882 3.818 -9.792 5.883 1.00 0.00 H new ATOM 0 HB ILE A 882 6.727 -9.348 5.133 1.00 0.00 H new ATOM 0 HG12 ILE A 882 4.818 -7.425 6.490 1.00 0.00 H new ATOM 0 HG13 ILE A 882 5.719 -8.607 7.419 1.00 0.00 H new ATOM 0 HG21 ILE A 882 5.936 -7.389 3.866 1.00 0.00 H new ATOM 0 HG22 ILE A 882 5.302 -8.911 3.195 1.00 0.00 H new ATOM 0 HG23 ILE A 882 4.252 -7.869 4.185 1.00 0.00 H new ATOM 0 HD11 ILE A 882 6.866 -6.448 7.401 1.00 0.00 H new ATOM 0 HD12 ILE A 882 7.841 -7.680 6.566 1.00 0.00 H new ATOM 0 HD13 ILE A 882 6.927 -6.480 5.622 1.00 0.00 H new ATOM 1675 N ASP A 883 5.541 -12.012 4.193 1.00 0.00 N ATOM 1676 CA ASP A 883 5.538 -12.892 3.034 1.00 0.00 C ATOM 1677 C ASP A 883 4.356 -13.841 3.121 1.00 0.00 C ATOM 1678 O ASP A 883 3.657 -14.095 2.137 1.00 0.00 O ATOM 1679 CB ASP A 883 6.851 -13.676 2.972 1.00 0.00 C ATOM 1680 CG ASP A 883 6.776 -14.901 2.078 1.00 0.00 C ATOM 1681 OD1 ASP A 883 6.921 -14.757 0.845 1.00 0.00 O ATOM 1682 OD2 ASP A 883 6.586 -16.013 2.612 1.00 0.00 O ATOM 0 H ASP A 883 6.280 -12.208 4.868 1.00 0.00 H new ATOM 0 HA ASP A 883 5.447 -12.297 2.125 1.00 0.00 H new ATOM 0 HB2 ASP A 883 7.642 -13.019 2.611 1.00 0.00 H new ATOM 0 HB3 ASP A 883 7.129 -13.986 3.979 1.00 0.00 H new ATOM 1687 N SER A 884 4.129 -14.345 4.318 1.00 0.00 N ATOM 1688 CA SER A 884 2.996 -15.201 4.578 1.00 0.00 C ATOM 1689 C SER A 884 1.704 -14.388 4.523 1.00 0.00 C ATOM 1690 O SER A 884 0.654 -14.906 4.146 1.00 0.00 O ATOM 1691 CB SER A 884 3.164 -15.879 5.937 1.00 0.00 C ATOM 1692 OG SER A 884 3.576 -14.962 6.928 1.00 0.00 O ATOM 0 H SER A 884 4.722 -14.173 5.130 1.00 0.00 H new ATOM 0 HA SER A 884 2.940 -15.975 3.813 1.00 0.00 H new ATOM 0 HB2 SER A 884 2.221 -16.338 6.234 1.00 0.00 H new ATOM 0 HB3 SER A 884 3.897 -16.682 5.856 1.00 0.00 H new ATOM 0 HG SER A 884 4.555 -14.920 6.948 1.00 0.00 H new ATOM 1698 N TYR A 885 1.802 -13.106 4.874 1.00 0.00 N ATOM 1699 CA TYR A 885 0.666 -12.185 4.805 1.00 0.00 C ATOM 1700 C TYR A 885 0.145 -12.101 3.392 1.00 0.00 C ATOM 1701 O TYR A 885 -1.023 -12.361 3.114 1.00 0.00 O ATOM 1702 CB TYR A 885 1.084 -10.775 5.219 1.00 0.00 C ATOM 1703 CG TYR A 885 -0.075 -9.890 5.613 1.00 0.00 C ATOM 1704 CD1 TYR A 885 -0.840 -10.160 6.740 1.00 0.00 C ATOM 1705 CD2 TYR A 885 -0.412 -8.785 4.842 1.00 0.00 C ATOM 1706 CE1 TYR A 885 -1.906 -9.350 7.087 1.00 0.00 C ATOM 1707 CE2 TYR A 885 -1.473 -7.971 5.182 1.00 0.00 C ATOM 1708 CZ TYR A 885 -2.219 -8.259 6.303 1.00 0.00 C ATOM 1709 OH TYR A 885 -3.279 -7.451 6.642 1.00 0.00 O ATOM 0 H TYR A 885 2.664 -12.678 5.212 1.00 0.00 H new ATOM 0 HA TYR A 885 -0.101 -12.566 5.479 1.00 0.00 H new ATOM 0 HB2 TYR A 885 1.779 -10.843 6.056 1.00 0.00 H new ATOM 0 HB3 TYR A 885 1.622 -10.308 4.394 1.00 0.00 H new ATOM 0 HD1 TYR A 885 -0.599 -11.015 7.354 1.00 0.00 H new ATOM 0 HD2 TYR A 885 0.168 -8.559 3.959 1.00 0.00 H new ATOM 0 HE1 TYR A 885 -2.491 -9.571 7.968 1.00 0.00 H new ATOM 0 HE2 TYR A 885 -1.717 -7.113 4.573 1.00 0.00 H new ATOM 0 HH TYR A 885 -4.095 -7.785 6.214 1.00 0.00 H new ATOM 1719 N VAL A 886 1.041 -11.723 2.509 1.00 0.00 N ATOM 1720 CA VAL A 886 0.720 -11.539 1.117 1.00 0.00 C ATOM 1721 C VAL A 886 0.315 -12.864 0.478 1.00 0.00 C ATOM 1722 O VAL A 886 -0.537 -12.901 -0.407 1.00 0.00 O ATOM 1723 CB VAL A 886 1.913 -10.878 0.388 1.00 0.00 C ATOM 1724 CG1 VAL A 886 3.023 -11.873 0.090 1.00 0.00 C ATOM 1725 CG2 VAL A 886 1.460 -10.186 -0.887 1.00 0.00 C ATOM 0 H VAL A 886 2.016 -11.534 2.740 1.00 0.00 H new ATOM 0 HA VAL A 886 -0.136 -10.871 1.027 1.00 0.00 H new ATOM 0 HB VAL A 886 2.320 -10.126 1.064 1.00 0.00 H new ATOM 0 HG11 VAL A 886 3.840 -11.364 -0.422 1.00 0.00 H new ATOM 0 HG12 VAL A 886 3.390 -12.299 1.024 1.00 0.00 H new ATOM 0 HG13 VAL A 886 2.636 -12.670 -0.545 1.00 0.00 H new ATOM 0 HG21 VAL A 886 2.319 -9.730 -1.379 1.00 0.00 H new ATOM 0 HG22 VAL A 886 1.005 -10.917 -1.556 1.00 0.00 H new ATOM 0 HG23 VAL A 886 0.730 -9.414 -0.642 1.00 0.00 H new ATOM 1735 N LYS A 887 0.891 -13.958 0.971 1.00 0.00 N ATOM 1736 CA LYS A 887 0.582 -15.278 0.455 1.00 0.00 C ATOM 1737 C LYS A 887 -0.807 -15.749 0.902 1.00 0.00 C ATOM 1738 O LYS A 887 -1.438 -16.550 0.218 1.00 0.00 O ATOM 1739 CB LYS A 887 1.666 -16.273 0.875 1.00 0.00 C ATOM 1740 CG LYS A 887 1.195 -17.324 1.847 1.00 0.00 C ATOM 1741 CD LYS A 887 1.887 -18.655 1.607 1.00 0.00 C ATOM 1742 CE LYS A 887 0.928 -19.683 1.024 1.00 0.00 C ATOM 1743 NZ LYS A 887 0.772 -19.535 -0.451 1.00 0.00 N ATOM 0 H LYS A 887 1.574 -13.950 1.728 1.00 0.00 H new ATOM 0 HA LYS A 887 0.564 -15.222 -0.633 1.00 0.00 H new ATOM 0 HB2 LYS A 887 2.056 -16.766 -0.016 1.00 0.00 H new ATOM 0 HB3 LYS A 887 2.494 -15.724 1.324 1.00 0.00 H new ATOM 0 HG2 LYS A 887 1.389 -16.991 2.867 1.00 0.00 H new ATOM 0 HG3 LYS A 887 0.117 -17.451 1.753 1.00 0.00 H new ATOM 0 HD2 LYS A 887 2.727 -18.513 0.927 1.00 0.00 H new ATOM 0 HD3 LYS A 887 2.296 -19.028 2.546 1.00 0.00 H new ATOM 0 HE2 LYS A 887 1.291 -20.685 1.250 1.00 0.00 H new ATOM 0 HE3 LYS A 887 -0.046 -19.581 1.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 887 0.110 -20.255 -0.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 887 0.401 -18.588 -0.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 887 1.696 -19.658 -0.912 1.00 0.00 H new ATOM 1757 N SER A 888 -1.288 -15.258 2.044 1.00 0.00 N ATOM 1758 CA SER A 888 -2.603 -15.662 2.535 1.00 0.00 C ATOM 1759 C SER A 888 -3.691 -14.740 1.998 1.00 0.00 C ATOM 1760 O SER A 888 -4.859 -15.124 1.914 1.00 0.00 O ATOM 1761 CB SER A 888 -2.636 -15.690 4.065 1.00 0.00 C ATOM 1762 OG SER A 888 -1.881 -14.628 4.621 1.00 0.00 O ATOM 0 H SER A 888 -0.795 -14.591 2.638 1.00 0.00 H new ATOM 0 HA SER A 888 -2.796 -16.671 2.171 1.00 0.00 H new ATOM 0 HB2 SER A 888 -3.668 -15.623 4.409 1.00 0.00 H new ATOM 0 HB3 SER A 888 -2.243 -16.642 4.421 1.00 0.00 H new ATOM 0 HG SER A 888 -0.960 -14.926 4.772 1.00 0.00 H new ATOM 1768 N LEU A 889 -3.305 -13.522 1.639 1.00 0.00 N ATOM 1769 CA LEU A 889 -4.242 -12.573 1.053 1.00 0.00 C ATOM 1770 C LEU A 889 -4.389 -12.828 -0.443 1.00 0.00 C ATOM 1771 O LEU A 889 -5.372 -12.412 -1.063 1.00 0.00 O ATOM 1772 CB LEU A 889 -3.786 -11.137 1.310 1.00 0.00 C ATOM 1773 CG LEU A 889 -4.690 -10.335 2.249 1.00 0.00 C ATOM 1774 CD1 LEU A 889 -4.082 -10.258 3.638 1.00 0.00 C ATOM 1775 CD2 LEU A 889 -4.931 -8.939 1.692 1.00 0.00 C ATOM 0 H LEU A 889 -2.354 -13.169 1.743 1.00 0.00 H new ATOM 0 HA LEU A 889 -5.214 -12.712 1.526 1.00 0.00 H new ATOM 0 HB2 LEU A 889 -2.780 -11.160 1.729 1.00 0.00 H new ATOM 0 HB3 LEU A 889 -3.722 -10.615 0.356 1.00 0.00 H new ATOM 0 HG LEU A 889 -5.650 -10.846 2.323 1.00 0.00 H new ATOM 0 HD11 LEU A 889 -4.739 -9.684 4.291 1.00 0.00 H new ATOM 0 HD12 LEU A 889 -3.961 -11.265 4.039 1.00 0.00 H new ATOM 0 HD13 LEU A 889 -3.109 -9.770 3.583 1.00 0.00 H new ATOM 0 HD21 LEU A 889 -5.576 -8.382 2.372 1.00 0.00 H new ATOM 0 HD22 LEU A 889 -3.979 -8.419 1.588 1.00 0.00 H new ATOM 0 HD23 LEU A 889 -5.412 -9.014 0.717 1.00 0.00 H new ATOM 1787 N LEU A 890 -3.392 -13.490 -1.020 1.00 0.00 N ATOM 1788 CA LEU A 890 -3.480 -13.958 -2.395 1.00 0.00 C ATOM 1789 C LEU A 890 -4.504 -15.084 -2.502 1.00 0.00 C ATOM 1790 O LEU A 890 -4.655 -15.847 -1.524 1.00 0.00 O ATOM 1791 CB LEU A 890 -2.116 -14.447 -2.885 1.00 0.00 C ATOM 1792 CG LEU A 890 -1.213 -13.366 -3.487 1.00 0.00 C ATOM 1793 CD1 LEU A 890 0.169 -13.926 -3.786 1.00 0.00 C ATOM 1794 CD2 LEU A 890 -1.843 -12.797 -4.748 1.00 0.00 C ATOM 1795 OXT LEU A 890 -5.165 -15.195 -3.556 1.00 0.00 O ATOM 0 H LEU A 890 -2.513 -13.714 -0.554 1.00 0.00 H new ATOM 0 HA LEU A 890 -3.798 -13.125 -3.022 1.00 0.00 H new ATOM 0 HB2 LEU A 890 -1.593 -14.911 -2.049 1.00 0.00 H new ATOM 0 HB3 LEU A 890 -2.274 -15.224 -3.633 1.00 0.00 H new ATOM 0 HG LEU A 890 -1.104 -12.562 -2.759 1.00 0.00 H new ATOM 0 HD11 LEU A 890 0.795 -13.142 -4.213 1.00 0.00 H new ATOM 0 HD12 LEU A 890 0.622 -14.289 -2.863 1.00 0.00 H new ATOM 0 HD13 LEU A 890 0.083 -14.748 -4.496 1.00 0.00 H new ATOM 0 HD21 LEU A 890 -1.191 -12.030 -5.166 1.00 0.00 H new ATOM 0 HD22 LEU A 890 -1.979 -13.595 -5.478 1.00 0.00 H new ATOM 0 HD23 LEU A 890 -2.811 -12.358 -4.505 1.00 0.00 H new