USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=20 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 839 GLN : amide:sc= -0.696 K(o=0.29,f=-4!) USER MOD Set 1.2: A 842 HIS : no HE2:sc= 0.985 K(o=0.29,f=-6.7!) USER MOD Single : A 802 ASN : amide:sc= -0.104 X(o=-0.1,f=-0.22) USER MOD Single : A 804 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 806 HIS : no HD1:sc= -0.203 X(o=-0.2,f=-0.037) USER MOD Single : A 808 SER OG : rot 70:sc= 1.22 USER MOD Single : A 810 TYR OH : rot 180:sc= 0 USER MOD Single : A 811 TYR OH : rot 180:sc= -0.545 USER MOD Single : A 817 THR OG1 : rot -79:sc= 1.21 USER MOD Single : A 823 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 826 TYR OH : rot 59:sc= 1.19 USER MOD Single : A 827 THR OG1 : rot 180:sc= -0.0443 USER MOD Single : A 831 THR OG1 : rot 72:sc= 1.2 USER MOD Single : A 832 SER OG : rot 180:sc= -0.137 USER MOD Single : A 840 THR OG1 : rot 87:sc= 1.22 USER MOD Single : A 845 LYS NZ :NH3+ -143:sc= 2.1 (180deg=-0.159) USER MOD Single : A 850 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 852 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 857 LYS NZ :NH3+ 179:sc= 1.27 (180deg=1.23) USER MOD Single : A 858 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 860 CYS SG : rot 58:sc= -1.25 USER MOD Single : A 862 THR OG1 : rot 180:sc= -0.0318 USER MOD Single : A 865 HIS : no HD1:sc=-0.00519 X(o=-0.0052,f=-0.31) USER MOD Single : A 870 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 877 LYS NZ :NH3+ -107:sc= 1.21 (180deg=-0.147) USER MOD Single : A 878 TYR OH : rot 30:sc=-0.00915 USER MOD Single : A 880 SER OG : rot -90:sc= 1.19 USER MOD Single : A 884 SER OG : rot 25:sc= -0.504 USER MOD Single : A 885 TYR OH : rot 143:sc= -2.32! USER MOD Single : A 887 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 888 SER OG : rot 86:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 406 N ASN A 802 -8.619 -7.647 1.604 1.00 0.00 N ATOM 407 CA ASN A 802 -8.129 -8.159 0.331 1.00 0.00 C ATOM 408 C ASN A 802 -9.170 -7.953 -0.765 1.00 0.00 C ATOM 409 O ASN A 802 -8.826 -7.718 -1.923 1.00 0.00 O ATOM 410 CB ASN A 802 -7.773 -9.646 0.449 1.00 0.00 C ATOM 411 CG ASN A 802 -8.967 -10.505 0.822 1.00 0.00 C ATOM 412 OD1 ASN A 802 -9.543 -10.349 1.901 1.00 0.00 O ATOM 413 ND2 ASN A 802 -9.351 -11.409 -0.062 1.00 0.00 N ATOM 0 HA ASN A 802 -7.228 -7.606 0.065 1.00 0.00 H new ATOM 0 HB2 ASN A 802 -7.362 -9.994 -0.499 1.00 0.00 H new ATOM 0 HB3 ASN A 802 -6.992 -9.770 1.199 1.00 0.00 H new ATOM 0 HD21 ASN A 802 -10.151 -12.009 0.137 1.00 0.00 H new ATOM 0 HD22 ASN A 802 -8.847 -11.506 -0.944 1.00 0.00 H new ATOM 420 N ALA A 803 -10.441 -8.023 -0.392 1.00 0.00 N ATOM 421 CA ALA A 803 -11.522 -7.787 -1.335 1.00 0.00 C ATOM 422 C ALA A 803 -11.617 -6.305 -1.667 1.00 0.00 C ATOM 423 O ALA A 803 -11.869 -5.928 -2.812 1.00 0.00 O ATOM 424 CB ALA A 803 -12.842 -8.295 -0.778 1.00 0.00 C ATOM 0 H ALA A 803 -10.747 -8.241 0.556 1.00 0.00 H new ATOM 0 HA ALA A 803 -11.307 -8.336 -2.252 1.00 0.00 H new ATOM 0 HB1 ALA A 803 -13.637 -8.108 -1.500 1.00 0.00 H new ATOM 0 HB2 ALA A 803 -12.769 -9.366 -0.588 1.00 0.00 H new ATOM 0 HB3 ALA A 803 -13.068 -7.776 0.153 1.00 0.00 H new ATOM 430 N GLN A 804 -11.393 -5.469 -0.657 1.00 0.00 N ATOM 431 CA GLN A 804 -11.401 -4.023 -0.841 1.00 0.00 C ATOM 432 C GLN A 804 -10.276 -3.596 -1.780 1.00 0.00 C ATOM 433 O GLN A 804 -10.492 -2.823 -2.716 1.00 0.00 O ATOM 434 CB GLN A 804 -11.258 -3.315 0.508 1.00 0.00 C ATOM 435 CG GLN A 804 -12.423 -2.401 0.842 1.00 0.00 C ATOM 436 CD GLN A 804 -12.008 -0.949 0.958 1.00 0.00 C ATOM 437 OE1 GLN A 804 -11.868 -0.248 -0.043 1.00 0.00 O ATOM 438 NE2 GLN A 804 -11.806 -0.490 2.185 1.00 0.00 N ATOM 0 H GLN A 804 -11.203 -5.770 0.299 1.00 0.00 H new ATOM 0 HA GLN A 804 -12.353 -3.739 -1.288 1.00 0.00 H new ATOM 0 HB2 GLN A 804 -11.158 -4.064 1.293 1.00 0.00 H new ATOM 0 HB3 GLN A 804 -10.338 -2.731 0.506 1.00 0.00 H new ATOM 0 HG2 GLN A 804 -13.188 -2.496 0.071 1.00 0.00 H new ATOM 0 HG3 GLN A 804 -12.875 -2.722 1.780 1.00 0.00 H new ATOM 0 HE21 GLN A 804 -11.934 -1.106 2.988 1.00 0.00 H new ATOM 0 HE22 GLN A 804 -11.523 0.480 2.327 1.00 0.00 H new ATOM 447 N LEU A 805 -9.078 -4.116 -1.538 1.00 0.00 N ATOM 448 CA LEU A 805 -7.928 -3.810 -2.379 1.00 0.00 C ATOM 449 C LEU A 805 -8.118 -4.400 -3.779 1.00 0.00 C ATOM 450 O LEU A 805 -7.660 -3.829 -4.774 1.00 0.00 O ATOM 451 CB LEU A 805 -6.635 -4.320 -1.718 1.00 0.00 C ATOM 452 CG LEU A 805 -5.781 -5.281 -2.542 1.00 0.00 C ATOM 453 CD1 LEU A 805 -4.368 -4.741 -2.693 1.00 0.00 C ATOM 454 CD2 LEU A 805 -5.751 -6.660 -1.901 1.00 0.00 C ATOM 0 H LEU A 805 -8.878 -4.752 -0.766 1.00 0.00 H new ATOM 0 HA LEU A 805 -7.843 -2.729 -2.487 1.00 0.00 H new ATOM 0 HB2 LEU A 805 -6.022 -3.457 -1.457 1.00 0.00 H new ATOM 0 HB3 LEU A 805 -6.902 -4.816 -0.785 1.00 0.00 H new ATOM 0 HG LEU A 805 -6.229 -5.370 -3.532 1.00 0.00 H new ATOM 0 HD11 LEU A 805 -3.773 -5.438 -3.283 1.00 0.00 H new ATOM 0 HD12 LEU A 805 -4.400 -3.775 -3.197 1.00 0.00 H new ATOM 0 HD13 LEU A 805 -3.917 -4.622 -1.708 1.00 0.00 H new ATOM 0 HD21 LEU A 805 -5.137 -7.329 -2.505 1.00 0.00 H new ATOM 0 HD22 LEU A 805 -5.329 -6.586 -0.899 1.00 0.00 H new ATOM 0 HD23 LEU A 805 -6.765 -7.055 -1.840 1.00 0.00 H new ATOM 466 N HIS A 806 -8.819 -5.530 -3.851 1.00 0.00 N ATOM 467 CA HIS A 806 -9.136 -6.164 -5.127 1.00 0.00 C ATOM 468 C HIS A 806 -10.104 -5.301 -5.931 1.00 0.00 C ATOM 469 O HIS A 806 -9.966 -5.164 -7.144 1.00 0.00 O ATOM 470 CB HIS A 806 -9.753 -7.549 -4.895 1.00 0.00 C ATOM 471 CG HIS A 806 -9.436 -8.552 -5.966 1.00 0.00 C ATOM 472 ND1 HIS A 806 -9.897 -9.851 -5.935 1.00 0.00 N ATOM 473 CD2 HIS A 806 -8.692 -8.448 -7.091 1.00 0.00 C ATOM 474 CE1 HIS A 806 -9.455 -10.499 -6.995 1.00 0.00 C ATOM 475 NE2 HIS A 806 -8.719 -9.671 -7.710 1.00 0.00 N ATOM 0 H HIS A 806 -9.179 -6.026 -3.036 1.00 0.00 H new ATOM 0 HA HIS A 806 -8.209 -6.274 -5.691 1.00 0.00 H new ATOM 0 HB2 HIS A 806 -9.403 -7.934 -3.937 1.00 0.00 H new ATOM 0 HB3 HIS A 806 -10.835 -7.444 -4.820 1.00 0.00 H new ATOM 0 HD2 HIS A 806 -8.173 -7.566 -7.437 1.00 0.00 H new ATOM 0 HE1 HIS A 806 -9.661 -11.531 -7.236 1.00 0.00 H new ATOM 0 HE2 HIS A 806 -8.246 -9.903 -8.583 1.00 0.00 H new ATOM 484 N ALA A 807 -11.077 -4.720 -5.244 1.00 0.00 N ATOM 485 CA ALA A 807 -12.088 -3.892 -5.890 1.00 0.00 C ATOM 486 C ALA A 807 -11.522 -2.534 -6.300 1.00 0.00 C ATOM 487 O ALA A 807 -11.820 -2.032 -7.383 1.00 0.00 O ATOM 488 CB ALA A 807 -13.286 -3.709 -4.969 1.00 0.00 C ATOM 0 H ALA A 807 -11.189 -4.807 -4.234 1.00 0.00 H new ATOM 0 HA ALA A 807 -12.410 -4.405 -6.796 1.00 0.00 H new ATOM 0 HB1 ALA A 807 -14.034 -3.089 -5.463 1.00 0.00 H new ATOM 0 HB2 ALA A 807 -13.718 -4.682 -4.736 1.00 0.00 H new ATOM 0 HB3 ALA A 807 -12.965 -3.225 -4.047 1.00 0.00 H new ATOM 494 N SER A 808 -10.692 -1.954 -5.441 1.00 0.00 N ATOM 495 CA SER A 808 -10.143 -0.621 -5.682 1.00 0.00 C ATOM 496 C SER A 808 -9.024 -0.640 -6.728 1.00 0.00 C ATOM 497 O SER A 808 -8.397 0.384 -6.993 1.00 0.00 O ATOM 498 CB SER A 808 -9.631 -0.026 -4.370 1.00 0.00 C ATOM 499 OG SER A 808 -10.604 -0.145 -3.344 1.00 0.00 O ATOM 0 H SER A 808 -10.383 -2.385 -4.570 1.00 0.00 H new ATOM 0 HA SER A 808 -10.945 0.002 -6.078 1.00 0.00 H new ATOM 0 HB2 SER A 808 -8.715 -0.535 -4.069 1.00 0.00 H new ATOM 0 HB3 SER A 808 -9.379 1.024 -4.517 1.00 0.00 H new ATOM 0 HG SER A 808 -10.695 -1.086 -3.087 1.00 0.00 H new ATOM 505 N GLY A 809 -8.769 -1.809 -7.306 1.00 0.00 N ATOM 506 CA GLY A 809 -7.794 -1.916 -8.378 1.00 0.00 C ATOM 507 C GLY A 809 -6.362 -1.853 -7.883 1.00 0.00 C ATOM 508 O GLY A 809 -5.444 -1.579 -8.654 1.00 0.00 O ATOM 0 H GLY A 809 -9.221 -2.687 -7.051 1.00 0.00 H new ATOM 0 HA2 GLY A 809 -7.948 -2.855 -8.910 1.00 0.00 H new ATOM 0 HA3 GLY A 809 -7.961 -1.112 -9.095 1.00 0.00 H new ATOM 512 N TYR A 810 -6.164 -2.126 -6.602 1.00 0.00 N ATOM 513 CA TYR A 810 -4.834 -2.057 -6.013 1.00 0.00 C ATOM 514 C TYR A 810 -4.079 -3.362 -6.228 1.00 0.00 C ATOM 515 O TYR A 810 -2.866 -3.431 -6.021 1.00 0.00 O ATOM 516 CB TYR A 810 -4.927 -1.762 -4.519 1.00 0.00 C ATOM 517 CG TYR A 810 -5.300 -0.333 -4.188 1.00 0.00 C ATOM 518 CD1 TYR A 810 -4.757 0.730 -4.898 1.00 0.00 C ATOM 519 CD2 TYR A 810 -6.186 -0.048 -3.156 1.00 0.00 C ATOM 520 CE1 TYR A 810 -5.090 2.035 -4.595 1.00 0.00 C ATOM 521 CE2 TYR A 810 -6.524 1.257 -2.846 1.00 0.00 C ATOM 522 CZ TYR A 810 -5.971 2.294 -3.567 1.00 0.00 C ATOM 523 OH TYR A 810 -6.304 3.596 -3.263 1.00 0.00 O ATOM 0 H TYR A 810 -6.903 -2.396 -5.953 1.00 0.00 H new ATOM 0 HA TYR A 810 -4.291 -1.250 -6.505 1.00 0.00 H new ATOM 0 HB2 TYR A 810 -5.664 -2.430 -4.074 1.00 0.00 H new ATOM 0 HB3 TYR A 810 -3.968 -1.992 -4.055 1.00 0.00 H new ATOM 0 HD1 TYR A 810 -4.062 0.532 -5.701 1.00 0.00 H new ATOM 0 HD2 TYR A 810 -6.617 -0.858 -2.587 1.00 0.00 H new ATOM 0 HE1 TYR A 810 -4.662 2.849 -5.161 1.00 0.00 H new ATOM 0 HE2 TYR A 810 -7.217 1.462 -2.044 1.00 0.00 H new ATOM 0 HH TYR A 810 -6.936 3.606 -2.514 1.00 0.00 H new ATOM 533 N TYR A 811 -4.803 -4.393 -6.653 1.00 0.00 N ATOM 534 CA TYR A 811 -4.218 -5.712 -6.869 1.00 0.00 C ATOM 535 C TYR A 811 -3.129 -5.656 -7.930 1.00 0.00 C ATOM 536 O TYR A 811 -2.167 -6.423 -7.887 1.00 0.00 O ATOM 537 CB TYR A 811 -5.297 -6.708 -7.288 1.00 0.00 C ATOM 538 CG TYR A 811 -5.223 -8.029 -6.558 1.00 0.00 C ATOM 539 CD1 TYR A 811 -5.494 -8.106 -5.199 1.00 0.00 C ATOM 540 CD2 TYR A 811 -4.887 -9.198 -7.228 1.00 0.00 C ATOM 541 CE1 TYR A 811 -5.434 -9.311 -4.528 1.00 0.00 C ATOM 542 CE2 TYR A 811 -4.829 -10.408 -6.564 1.00 0.00 C ATOM 543 CZ TYR A 811 -5.102 -10.459 -5.214 1.00 0.00 C ATOM 544 OH TYR A 811 -5.051 -11.661 -4.549 1.00 0.00 O ATOM 0 H TYR A 811 -5.801 -4.339 -6.856 1.00 0.00 H new ATOM 0 HA TYR A 811 -3.772 -6.041 -5.931 1.00 0.00 H new ATOM 0 HB2 TYR A 811 -6.277 -6.262 -7.115 1.00 0.00 H new ATOM 0 HB3 TYR A 811 -5.214 -6.890 -8.359 1.00 0.00 H new ATOM 0 HD1 TYR A 811 -5.756 -7.209 -4.658 1.00 0.00 H new ATOM 0 HD2 TYR A 811 -4.668 -9.161 -8.285 1.00 0.00 H new ATOM 0 HE1 TYR A 811 -5.646 -9.354 -3.470 1.00 0.00 H new ATOM 0 HE2 TYR A 811 -4.571 -11.309 -7.100 1.00 0.00 H new ATOM 0 HH TYR A 811 -4.803 -12.372 -5.177 1.00 0.00 H new ATOM 554 N ALA A 812 -3.286 -4.728 -8.869 1.00 0.00 N ATOM 555 CA ALA A 812 -2.323 -4.551 -9.947 1.00 0.00 C ATOM 556 C ALA A 812 -0.949 -4.178 -9.399 1.00 0.00 C ATOM 557 O ALA A 812 0.071 -4.593 -9.943 1.00 0.00 O ATOM 558 CB ALA A 812 -2.811 -3.488 -10.921 1.00 0.00 C ATOM 0 H ALA A 812 -4.076 -4.084 -8.903 1.00 0.00 H new ATOM 0 HA ALA A 812 -2.229 -5.499 -10.477 1.00 0.00 H new ATOM 0 HB1 ALA A 812 -2.082 -3.366 -11.722 1.00 0.00 H new ATOM 0 HB2 ALA A 812 -3.767 -3.794 -11.345 1.00 0.00 H new ATOM 0 HB3 ALA A 812 -2.934 -2.541 -10.395 1.00 0.00 H new ATOM 564 N LEU A 813 -0.935 -3.389 -8.327 1.00 0.00 N ATOM 565 CA LEU A 813 0.313 -3.002 -7.671 1.00 0.00 C ATOM 566 C LEU A 813 0.735 -4.070 -6.669 1.00 0.00 C ATOM 567 O LEU A 813 1.924 -4.348 -6.489 1.00 0.00 O ATOM 568 CB LEU A 813 0.153 -1.650 -6.962 1.00 0.00 C ATOM 569 CG LEU A 813 -0.274 -0.491 -7.862 1.00 0.00 C ATOM 570 CD1 LEU A 813 -1.726 -0.133 -7.612 1.00 0.00 C ATOM 571 CD2 LEU A 813 0.617 0.716 -7.631 1.00 0.00 C ATOM 0 H LEU A 813 -1.774 -3.005 -7.893 1.00 0.00 H new ATOM 0 HA LEU A 813 1.087 -2.906 -8.433 1.00 0.00 H new ATOM 0 HB2 LEU A 813 -0.582 -1.760 -6.165 1.00 0.00 H new ATOM 0 HB3 LEU A 813 1.100 -1.392 -6.488 1.00 0.00 H new ATOM 0 HG LEU A 813 -0.169 -0.804 -8.901 1.00 0.00 H new ATOM 0 HD11 LEU A 813 -2.014 0.694 -8.261 1.00 0.00 H new ATOM 0 HD12 LEU A 813 -2.356 -0.997 -7.825 1.00 0.00 H new ATOM 0 HD13 LEU A 813 -1.854 0.162 -6.570 1.00 0.00 H new ATOM 0 HD21 LEU A 813 0.299 1.532 -8.280 1.00 0.00 H new ATOM 0 HD22 LEU A 813 0.542 1.030 -6.590 1.00 0.00 H new ATOM 0 HD23 LEU A 813 1.651 0.454 -7.857 1.00 0.00 H new ATOM 583 N PHE A 814 -0.268 -4.673 -6.038 1.00 0.00 N ATOM 584 CA PHE A 814 -0.068 -5.662 -4.987 1.00 0.00 C ATOM 585 C PHE A 814 0.801 -6.827 -5.455 1.00 0.00 C ATOM 586 O PHE A 814 1.859 -7.085 -4.887 1.00 0.00 O ATOM 587 CB PHE A 814 -1.425 -6.185 -4.511 1.00 0.00 C ATOM 588 CG PHE A 814 -1.376 -6.885 -3.183 1.00 0.00 C ATOM 589 CD1 PHE A 814 -0.669 -6.341 -2.122 1.00 0.00 C ATOM 590 CD2 PHE A 814 -2.043 -8.084 -2.995 1.00 0.00 C ATOM 591 CE1 PHE A 814 -0.629 -6.980 -0.899 1.00 0.00 C ATOM 592 CE2 PHE A 814 -2.004 -8.728 -1.775 1.00 0.00 C ATOM 593 CZ PHE A 814 -1.298 -8.176 -0.727 1.00 0.00 C ATOM 0 H PHE A 814 -1.249 -4.487 -6.244 1.00 0.00 H new ATOM 0 HA PHE A 814 0.454 -5.173 -4.164 1.00 0.00 H new ATOM 0 HB2 PHE A 814 -2.122 -5.350 -4.445 1.00 0.00 H new ATOM 0 HB3 PHE A 814 -1.821 -6.872 -5.259 1.00 0.00 H new ATOM 0 HD1 PHE A 814 -0.144 -5.407 -2.254 1.00 0.00 H new ATOM 0 HD2 PHE A 814 -2.600 -8.520 -3.812 1.00 0.00 H new ATOM 0 HE1 PHE A 814 -0.076 -6.546 -0.079 1.00 0.00 H new ATOM 0 HE2 PHE A 814 -2.526 -9.664 -1.641 1.00 0.00 H new ATOM 0 HZ PHE A 814 -1.268 -8.679 0.228 1.00 0.00 H new ATOM 603 N VAL A 815 0.363 -7.519 -6.494 1.00 0.00 N ATOM 604 CA VAL A 815 1.077 -8.700 -6.967 1.00 0.00 C ATOM 605 C VAL A 815 2.235 -8.319 -7.881 1.00 0.00 C ATOM 606 O VAL A 815 2.934 -9.182 -8.409 1.00 0.00 O ATOM 607 CB VAL A 815 0.143 -9.674 -7.717 1.00 0.00 C ATOM 608 CG1 VAL A 815 -0.918 -10.226 -6.778 1.00 0.00 C ATOM 609 CG2 VAL A 815 -0.500 -8.994 -8.918 1.00 0.00 C ATOM 0 H VAL A 815 -0.477 -7.288 -7.025 1.00 0.00 H new ATOM 0 HA VAL A 815 1.467 -9.199 -6.080 1.00 0.00 H new ATOM 0 HB VAL A 815 0.743 -10.507 -8.084 1.00 0.00 H new ATOM 0 HG11 VAL A 815 -1.567 -10.910 -7.324 1.00 0.00 H new ATOM 0 HG12 VAL A 815 -0.437 -10.759 -5.958 1.00 0.00 H new ATOM 0 HG13 VAL A 815 -1.512 -9.405 -6.377 1.00 0.00 H new ATOM 0 HG21 VAL A 815 -1.153 -9.701 -9.430 1.00 0.00 H new ATOM 0 HG22 VAL A 815 -1.084 -8.138 -8.582 1.00 0.00 H new ATOM 0 HG23 VAL A 815 0.277 -8.656 -9.604 1.00 0.00 H new ATOM 619 N ASP A 816 2.447 -7.024 -8.048 1.00 0.00 N ATOM 620 CA ASP A 816 3.460 -6.536 -8.970 1.00 0.00 C ATOM 621 C ASP A 816 4.766 -6.230 -8.258 1.00 0.00 C ATOM 622 O ASP A 816 5.811 -6.773 -8.605 1.00 0.00 O ATOM 623 CB ASP A 816 2.973 -5.284 -9.687 1.00 0.00 C ATOM 624 CG ASP A 816 3.623 -5.113 -11.038 1.00 0.00 C ATOM 625 OD1 ASP A 816 3.307 -5.903 -11.954 1.00 0.00 O ATOM 626 OD2 ASP A 816 4.452 -4.193 -11.191 1.00 0.00 O ATOM 0 H ASP A 816 1.932 -6.292 -7.558 1.00 0.00 H new ATOM 0 HA ASP A 816 3.640 -7.328 -9.697 1.00 0.00 H new ATOM 0 HB2 ASP A 816 1.891 -5.335 -9.810 1.00 0.00 H new ATOM 0 HB3 ASP A 816 3.183 -4.410 -9.071 1.00 0.00 H new ATOM 631 N THR A 817 4.713 -5.357 -7.264 1.00 0.00 N ATOM 632 CA THR A 817 5.932 -4.904 -6.621 1.00 0.00 C ATOM 633 C THR A 817 6.120 -5.503 -5.227 1.00 0.00 C ATOM 634 O THR A 817 7.250 -5.742 -4.816 1.00 0.00 O ATOM 635 CB THR A 817 5.998 -3.358 -6.560 1.00 0.00 C ATOM 636 OG1 THR A 817 7.357 -2.931 -6.412 1.00 0.00 O ATOM 637 CG2 THR A 817 5.158 -2.797 -5.418 1.00 0.00 C ATOM 0 H THR A 817 3.853 -4.955 -6.891 1.00 0.00 H new ATOM 0 HA THR A 817 6.754 -5.263 -7.240 1.00 0.00 H new ATOM 0 HB THR A 817 5.589 -2.976 -7.495 1.00 0.00 H new ATOM 0 HG1 THR A 817 7.633 -3.037 -5.478 1.00 0.00 H new ATOM 0 HG21 THR A 817 5.233 -1.710 -5.412 1.00 0.00 H new ATOM 0 HG22 THR A 817 4.117 -3.088 -5.555 1.00 0.00 H new ATOM 0 HG23 THR A 817 5.523 -3.191 -4.470 1.00 0.00 H new ATOM 645 N VAL A 818 5.027 -5.790 -4.523 1.00 0.00 N ATOM 646 CA VAL A 818 5.116 -6.192 -3.117 1.00 0.00 C ATOM 647 C VAL A 818 5.971 -7.456 -2.920 1.00 0.00 C ATOM 648 O VAL A 818 6.977 -7.402 -2.217 1.00 0.00 O ATOM 649 CB VAL A 818 3.723 -6.379 -2.478 1.00 0.00 C ATOM 650 CG1 VAL A 818 3.848 -6.828 -1.027 1.00 0.00 C ATOM 651 CG2 VAL A 818 2.921 -5.087 -2.566 1.00 0.00 C ATOM 0 H VAL A 818 4.078 -5.753 -4.896 1.00 0.00 H new ATOM 0 HA VAL A 818 5.616 -5.371 -2.604 1.00 0.00 H new ATOM 0 HB VAL A 818 3.196 -7.156 -3.031 1.00 0.00 H new ATOM 0 HG11 VAL A 818 2.854 -6.953 -0.598 1.00 0.00 H new ATOM 0 HG12 VAL A 818 4.384 -7.776 -0.984 1.00 0.00 H new ATOM 0 HG13 VAL A 818 4.396 -6.076 -0.459 1.00 0.00 H new ATOM 0 HG21 VAL A 818 1.941 -5.235 -2.111 1.00 0.00 H new ATOM 0 HG22 VAL A 818 3.450 -4.294 -2.038 1.00 0.00 H new ATOM 0 HG23 VAL A 818 2.797 -4.806 -3.612 1.00 0.00 H new ATOM 661 N PRO A 819 5.618 -8.604 -3.540 1.00 0.00 N ATOM 662 CA PRO A 819 6.379 -9.849 -3.355 1.00 0.00 C ATOM 663 C PRO A 819 7.808 -9.757 -3.895 1.00 0.00 C ATOM 664 O PRO A 819 8.717 -10.406 -3.378 1.00 0.00 O ATOM 665 CB PRO A 819 5.571 -10.895 -4.128 1.00 0.00 C ATOM 666 CG PRO A 819 4.752 -10.117 -5.098 1.00 0.00 C ATOM 667 CD PRO A 819 4.470 -8.794 -4.444 1.00 0.00 C ATOM 0 HA PRO A 819 6.499 -10.089 -2.299 1.00 0.00 H new ATOM 0 HB2 PRO A 819 6.227 -11.598 -4.641 1.00 0.00 H new ATOM 0 HB3 PRO A 819 4.939 -11.478 -3.458 1.00 0.00 H new ATOM 0 HG2 PRO A 819 5.287 -9.980 -6.038 1.00 0.00 H new ATOM 0 HG3 PRO A 819 3.825 -10.640 -5.333 1.00 0.00 H new ATOM 0 HD2 PRO A 819 4.400 -7.991 -5.178 1.00 0.00 H new ATOM 0 HD3 PRO A 819 3.527 -8.810 -3.897 1.00 0.00 H new ATOM 675 N ASP A 820 8.010 -8.945 -4.923 1.00 0.00 N ATOM 676 CA ASP A 820 9.348 -8.751 -5.473 1.00 0.00 C ATOM 677 C ASP A 820 10.190 -7.923 -4.511 1.00 0.00 C ATOM 678 O ASP A 820 11.365 -8.213 -4.282 1.00 0.00 O ATOM 679 CB ASP A 820 9.281 -8.058 -6.835 1.00 0.00 C ATOM 680 CG ASP A 820 10.601 -8.128 -7.581 1.00 0.00 C ATOM 681 OD1 ASP A 820 10.899 -9.187 -8.173 1.00 0.00 O ATOM 682 OD2 ASP A 820 11.345 -7.124 -7.585 1.00 0.00 O ATOM 0 H ASP A 820 7.275 -8.414 -5.390 1.00 0.00 H new ATOM 0 HA ASP A 820 9.810 -9.729 -5.607 1.00 0.00 H new ATOM 0 HB2 ASP A 820 8.500 -8.521 -7.438 1.00 0.00 H new ATOM 0 HB3 ASP A 820 8.999 -7.014 -6.696 1.00 0.00 H new ATOM 687 N ASP A 821 9.566 -6.904 -3.934 1.00 0.00 N ATOM 688 CA ASP A 821 10.236 -6.026 -2.985 1.00 0.00 C ATOM 689 C ASP A 821 10.551 -6.766 -1.692 1.00 0.00 C ATOM 690 O ASP A 821 11.645 -6.636 -1.151 1.00 0.00 O ATOM 691 CB ASP A 821 9.376 -4.791 -2.685 1.00 0.00 C ATOM 692 CG ASP A 821 9.574 -3.675 -3.700 1.00 0.00 C ATOM 693 OD1 ASP A 821 10.723 -3.446 -4.127 1.00 0.00 O ATOM 694 OD2 ASP A 821 8.579 -3.018 -4.081 1.00 0.00 O ATOM 0 H ASP A 821 8.590 -6.665 -4.109 1.00 0.00 H new ATOM 0 HA ASP A 821 11.172 -5.699 -3.437 1.00 0.00 H new ATOM 0 HB2 ASP A 821 8.325 -5.080 -2.670 1.00 0.00 H new ATOM 0 HB3 ASP A 821 9.618 -4.418 -1.690 1.00 0.00 H new ATOM 699 N VAL A 822 9.596 -7.556 -1.203 1.00 0.00 N ATOM 700 CA VAL A 822 9.795 -8.317 0.022 1.00 0.00 C ATOM 701 C VAL A 822 10.843 -9.412 -0.173 1.00 0.00 C ATOM 702 O VAL A 822 11.570 -9.760 0.759 1.00 0.00 O ATOM 703 CB VAL A 822 8.476 -8.934 0.547 1.00 0.00 C ATOM 704 CG1 VAL A 822 7.468 -7.849 0.881 1.00 0.00 C ATOM 705 CG2 VAL A 822 7.885 -9.926 -0.438 1.00 0.00 C ATOM 0 H VAL A 822 8.682 -7.683 -1.637 1.00 0.00 H new ATOM 0 HA VAL A 822 10.155 -7.612 0.771 1.00 0.00 H new ATOM 0 HB VAL A 822 8.715 -9.480 1.460 1.00 0.00 H new ATOM 0 HG11 VAL A 822 6.549 -8.306 1.248 1.00 0.00 H new ATOM 0 HG12 VAL A 822 7.879 -7.194 1.649 1.00 0.00 H new ATOM 0 HG13 VAL A 822 7.251 -7.266 -0.014 1.00 0.00 H new ATOM 0 HG21 VAL A 822 6.960 -10.336 -0.031 1.00 0.00 H new ATOM 0 HG22 VAL A 822 7.674 -9.421 -1.381 1.00 0.00 H new ATOM 0 HG23 VAL A 822 8.595 -10.735 -0.610 1.00 0.00 H new ATOM 715 N LYS A 823 10.925 -9.949 -1.385 1.00 0.00 N ATOM 716 CA LYS A 823 11.961 -10.920 -1.711 1.00 0.00 C ATOM 717 C LYS A 823 13.330 -10.254 -1.647 1.00 0.00 C ATOM 718 O LYS A 823 14.269 -10.787 -1.052 1.00 0.00 O ATOM 719 CB LYS A 823 11.728 -11.516 -3.100 1.00 0.00 C ATOM 720 CG LYS A 823 11.085 -12.891 -3.069 1.00 0.00 C ATOM 721 CD LYS A 823 10.989 -13.492 -4.459 1.00 0.00 C ATOM 722 CE LYS A 823 9.543 -13.626 -4.910 1.00 0.00 C ATOM 723 NZ LYS A 823 8.913 -14.883 -4.423 1.00 0.00 N ATOM 0 H LYS A 823 10.291 -9.730 -2.153 1.00 0.00 H new ATOM 0 HA LYS A 823 11.921 -11.730 -0.982 1.00 0.00 H new ATOM 0 HB2 LYS A 823 11.095 -10.840 -3.675 1.00 0.00 H new ATOM 0 HB3 LYS A 823 12.682 -11.581 -3.623 1.00 0.00 H new ATOM 0 HG2 LYS A 823 11.666 -13.551 -2.425 1.00 0.00 H new ATOM 0 HG3 LYS A 823 10.088 -12.818 -2.634 1.00 0.00 H new ATOM 0 HD2 LYS A 823 11.535 -12.867 -5.165 1.00 0.00 H new ATOM 0 HD3 LYS A 823 11.466 -14.472 -4.466 1.00 0.00 H new ATOM 0 HE2 LYS A 823 8.971 -12.772 -4.548 1.00 0.00 H new ATOM 0 HE3 LYS A 823 9.501 -13.599 -5.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 823 7.929 -14.929 -4.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 823 9.441 -15.701 -4.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 823 8.928 -14.899 -3.383 1.00 0.00 H new ATOM 737 N ARG A 824 13.426 -9.070 -2.244 1.00 0.00 N ATOM 738 CA ARG A 824 14.655 -8.289 -2.204 1.00 0.00 C ATOM 739 C ARG A 824 14.970 -7.867 -0.770 1.00 0.00 C ATOM 740 O ARG A 824 16.128 -7.847 -0.364 1.00 0.00 O ATOM 741 CB ARG A 824 14.536 -7.062 -3.109 1.00 0.00 C ATOM 742 CG ARG A 824 14.992 -7.319 -4.537 1.00 0.00 C ATOM 743 CD ARG A 824 14.077 -6.644 -5.545 1.00 0.00 C ATOM 744 NE ARG A 824 14.341 -5.210 -5.645 1.00 0.00 N ATOM 745 CZ ARG A 824 13.454 -4.320 -6.090 1.00 0.00 C ATOM 746 NH1 ARG A 824 12.274 -4.723 -6.552 1.00 0.00 N ATOM 747 NH2 ARG A 824 13.756 -3.027 -6.086 1.00 0.00 N ATOM 0 H ARG A 824 12.665 -8.631 -2.762 1.00 0.00 H new ATOM 0 HA ARG A 824 15.473 -8.910 -2.569 1.00 0.00 H new ATOM 0 HB2 ARG A 824 13.499 -6.728 -3.121 1.00 0.00 H new ATOM 0 HB3 ARG A 824 15.128 -6.250 -2.687 1.00 0.00 H new ATOM 0 HG2 ARG A 824 16.010 -6.952 -4.666 1.00 0.00 H new ATOM 0 HG3 ARG A 824 15.013 -8.392 -4.725 1.00 0.00 H new ATOM 0 HD2 ARG A 824 14.210 -7.107 -6.523 1.00 0.00 H new ATOM 0 HD3 ARG A 824 13.038 -6.803 -5.256 1.00 0.00 H new ATOM 0 HE ARG A 824 15.259 -4.870 -5.357 1.00 0.00 H new ATOM 0 HH11 ARG A 824 12.044 -5.717 -6.567 1.00 0.00 H new ATOM 0 HH12 ARG A 824 11.598 -4.038 -6.891 1.00 0.00 H new ATOM 0 HH21 ARG A 824 14.665 -2.717 -5.743 1.00 0.00 H new ATOM 0 HH22 ARG A 824 13.079 -2.344 -6.426 1.00 0.00 H new ATOM 761 N LEU A 825 13.925 -7.545 -0.011 1.00 0.00 N ATOM 762 CA LEU A 825 14.065 -7.226 1.408 1.00 0.00 C ATOM 763 C LEU A 825 14.780 -8.358 2.132 1.00 0.00 C ATOM 764 O LEU A 825 15.697 -8.125 2.917 1.00 0.00 O ATOM 765 CB LEU A 825 12.689 -6.998 2.044 1.00 0.00 C ATOM 766 CG LEU A 825 12.447 -5.602 2.619 1.00 0.00 C ATOM 767 CD1 LEU A 825 10.984 -5.437 3.002 1.00 0.00 C ATOM 768 CD2 LEU A 825 13.349 -5.355 3.821 1.00 0.00 C ATOM 0 H LEU A 825 12.967 -7.498 -0.357 1.00 0.00 H new ATOM 0 HA LEU A 825 14.653 -6.313 1.499 1.00 0.00 H new ATOM 0 HB2 LEU A 825 11.925 -7.199 1.294 1.00 0.00 H new ATOM 0 HB3 LEU A 825 12.552 -7.728 2.842 1.00 0.00 H new ATOM 0 HG LEU A 825 12.690 -4.864 1.855 1.00 0.00 H new ATOM 0 HD11 LEU A 825 10.825 -4.439 3.410 1.00 0.00 H new ATOM 0 HD12 LEU A 825 10.359 -5.572 2.119 1.00 0.00 H new ATOM 0 HD13 LEU A 825 10.718 -6.182 3.752 1.00 0.00 H new ATOM 0 HD21 LEU A 825 13.163 -4.357 4.217 1.00 0.00 H new ATOM 0 HD22 LEU A 825 13.139 -6.096 4.592 1.00 0.00 H new ATOM 0 HD23 LEU A 825 14.392 -5.435 3.516 1.00 0.00 H new ATOM 780 N TYR A 826 14.360 -9.586 1.851 1.00 0.00 N ATOM 781 CA TYR A 826 14.984 -10.761 2.438 1.00 0.00 C ATOM 782 C TYR A 826 16.439 -10.872 1.989 1.00 0.00 C ATOM 783 O TYR A 826 17.313 -11.251 2.770 1.00 0.00 O ATOM 784 CB TYR A 826 14.218 -12.026 2.052 1.00 0.00 C ATOM 785 CG TYR A 826 13.800 -12.865 3.239 1.00 0.00 C ATOM 786 CD1 TYR A 826 14.481 -12.779 4.448 1.00 0.00 C ATOM 787 CD2 TYR A 826 12.724 -13.737 3.154 1.00 0.00 C ATOM 788 CE1 TYR A 826 14.099 -13.536 5.536 1.00 0.00 C ATOM 789 CE2 TYR A 826 12.334 -14.496 4.241 1.00 0.00 C ATOM 790 CZ TYR A 826 13.025 -14.393 5.428 1.00 0.00 C ATOM 791 OH TYR A 826 12.640 -15.147 6.513 1.00 0.00 O ATOM 0 H TYR A 826 13.587 -9.792 1.218 1.00 0.00 H new ATOM 0 HA TYR A 826 14.958 -10.656 3.523 1.00 0.00 H new ATOM 0 HB2 TYR A 826 13.330 -11.745 1.485 1.00 0.00 H new ATOM 0 HB3 TYR A 826 14.840 -12.630 1.391 1.00 0.00 H new ATOM 0 HD1 TYR A 826 15.323 -12.108 4.537 1.00 0.00 H new ATOM 0 HD2 TYR A 826 12.183 -13.824 2.224 1.00 0.00 H new ATOM 0 HE1 TYR A 826 14.639 -13.458 6.468 1.00 0.00 H new ATOM 0 HE2 TYR A 826 11.491 -15.167 4.160 1.00 0.00 H new ATOM 0 HH TYR A 826 12.416 -14.554 7.260 1.00 0.00 H new ATOM 801 N THR A 827 16.692 -10.521 0.734 1.00 0.00 N ATOM 802 CA THR A 827 18.039 -10.573 0.189 1.00 0.00 C ATOM 803 C THR A 827 18.955 -9.568 0.889 1.00 0.00 C ATOM 804 O THR A 827 20.058 -9.917 1.310 1.00 0.00 O ATOM 805 CB THR A 827 18.032 -10.293 -1.323 1.00 0.00 C ATOM 806 OG1 THR A 827 16.877 -10.895 -1.928 1.00 0.00 O ATOM 807 CG2 THR A 827 19.292 -10.834 -1.976 1.00 0.00 C ATOM 0 H THR A 827 15.982 -10.198 0.077 1.00 0.00 H new ATOM 0 HA THR A 827 18.421 -11.579 0.362 1.00 0.00 H new ATOM 0 HB THR A 827 17.998 -9.214 -1.472 1.00 0.00 H new ATOM 0 HG1 THR A 827 16.879 -10.711 -2.891 1.00 0.00 H new ATOM 0 HG21 THR A 827 19.266 -10.625 -3.045 1.00 0.00 H new ATOM 0 HG22 THR A 827 20.165 -10.355 -1.534 1.00 0.00 H new ATOM 0 HG23 THR A 827 19.350 -11.911 -1.818 1.00 0.00 H new ATOM 815 N GLU A 828 18.477 -8.337 1.050 1.00 0.00 N ATOM 816 CA GLU A 828 19.261 -7.290 1.699 1.00 0.00 C ATOM 817 C GLU A 828 19.380 -7.563 3.199 1.00 0.00 C ATOM 818 O GLU A 828 20.331 -7.126 3.849 1.00 0.00 O ATOM 819 CB GLU A 828 18.636 -5.909 1.461 1.00 0.00 C ATOM 820 CG GLU A 828 18.218 -5.657 0.018 1.00 0.00 C ATOM 821 CD GLU A 828 19.349 -5.136 -0.851 1.00 0.00 C ATOM 822 OE1 GLU A 828 20.401 -5.801 -0.931 1.00 0.00 O ATOM 823 OE2 GLU A 828 19.179 -4.067 -1.480 1.00 0.00 O ATOM 0 H GLU A 828 17.552 -8.040 0.740 1.00 0.00 H new ATOM 0 HA GLU A 828 20.259 -7.295 1.260 1.00 0.00 H new ATOM 0 HB2 GLU A 828 17.763 -5.801 2.105 1.00 0.00 H new ATOM 0 HB3 GLU A 828 19.350 -5.142 1.761 1.00 0.00 H new ATOM 0 HG2 GLU A 828 17.837 -6.584 -0.410 1.00 0.00 H new ATOM 0 HG3 GLU A 828 17.398 -4.939 0.004 1.00 0.00 H new ATOM 830 N ALA A 829 18.408 -8.292 3.743 1.00 0.00 N ATOM 831 CA ALA A 829 18.438 -8.689 5.146 1.00 0.00 C ATOM 832 C ALA A 829 19.576 -9.668 5.395 1.00 0.00 C ATOM 833 O ALA A 829 20.291 -9.566 6.389 1.00 0.00 O ATOM 834 CB ALA A 829 17.112 -9.307 5.558 1.00 0.00 C ATOM 0 H ALA A 829 17.589 -8.620 3.231 1.00 0.00 H new ATOM 0 HA ALA A 829 18.604 -7.797 5.750 1.00 0.00 H new ATOM 0 HB1 ALA A 829 17.156 -9.596 6.608 1.00 0.00 H new ATOM 0 HB2 ALA A 829 16.312 -8.581 5.415 1.00 0.00 H new ATOM 0 HB3 ALA A 829 16.916 -10.188 4.947 1.00 0.00 H new ATOM 840 N ALA A 830 19.744 -10.611 4.476 1.00 0.00 N ATOM 841 CA ALA A 830 20.852 -11.555 4.539 1.00 0.00 C ATOM 842 C ALA A 830 22.181 -10.836 4.316 1.00 0.00 C ATOM 843 O ALA A 830 23.236 -11.298 4.744 1.00 0.00 O ATOM 844 CB ALA A 830 20.659 -12.657 3.509 1.00 0.00 C ATOM 0 H ALA A 830 19.125 -10.742 3.676 1.00 0.00 H new ATOM 0 HA ALA A 830 20.872 -12.006 5.531 1.00 0.00 H new ATOM 0 HB1 ALA A 830 21.493 -13.357 3.565 1.00 0.00 H new ATOM 0 HB2 ALA A 830 19.727 -13.185 3.712 1.00 0.00 H new ATOM 0 HB3 ALA A 830 20.618 -12.220 2.511 1.00 0.00 H new ATOM 850 N THR A 831 22.108 -9.702 3.631 1.00 0.00 N ATOM 851 CA THR A 831 23.266 -8.851 3.396 1.00 0.00 C ATOM 852 C THR A 831 23.555 -7.965 4.617 1.00 0.00 C ATOM 853 O THR A 831 24.612 -7.336 4.709 1.00 0.00 O ATOM 854 CB THR A 831 23.022 -7.974 2.149 1.00 0.00 C ATOM 855 OG1 THR A 831 22.566 -8.800 1.073 1.00 0.00 O ATOM 856 CG2 THR A 831 24.280 -7.241 1.718 1.00 0.00 C ATOM 0 H THR A 831 21.243 -9.347 3.223 1.00 0.00 H new ATOM 0 HA THR A 831 24.135 -9.487 3.227 1.00 0.00 H new ATOM 0 HB THR A 831 22.270 -7.228 2.406 1.00 0.00 H new ATOM 0 HG1 THR A 831 21.650 -9.097 1.254 1.00 0.00 H new ATOM 0 HG21 THR A 831 24.065 -6.636 0.838 1.00 0.00 H new ATOM 0 HG22 THR A 831 24.621 -6.596 2.528 1.00 0.00 H new ATOM 0 HG23 THR A 831 25.059 -7.965 1.479 1.00 0.00 H new ATOM 864 N SER A 832 22.602 -7.935 5.554 1.00 0.00 N ATOM 865 CA SER A 832 22.698 -7.134 6.772 1.00 0.00 C ATOM 866 C SER A 832 22.770 -5.654 6.431 1.00 0.00 C ATOM 867 O SER A 832 23.356 -4.859 7.165 1.00 0.00 O ATOM 868 CB SER A 832 23.899 -7.550 7.641 1.00 0.00 C ATOM 869 OG SER A 832 24.387 -8.837 7.290 1.00 0.00 O ATOM 0 H SER A 832 21.737 -8.471 5.485 1.00 0.00 H new ATOM 0 HA SER A 832 21.796 -7.317 7.356 1.00 0.00 H new ATOM 0 HB2 SER A 832 24.698 -6.817 7.531 1.00 0.00 H new ATOM 0 HB3 SER A 832 23.606 -7.547 8.691 1.00 0.00 H new ATOM 0 HG SER A 832 25.150 -9.065 7.862 1.00 0.00 H new ATOM 875 N ASP A 833 22.166 -5.286 5.309 1.00 0.00 N ATOM 876 CA ASP A 833 22.120 -3.897 4.901 1.00 0.00 C ATOM 877 C ASP A 833 20.921 -3.216 5.534 1.00 0.00 C ATOM 878 O ASP A 833 19.876 -3.040 4.910 1.00 0.00 O ATOM 879 CB ASP A 833 22.067 -3.763 3.381 1.00 0.00 C ATOM 880 CG ASP A 833 22.588 -2.417 2.926 1.00 0.00 C ATOM 881 OD1 ASP A 833 21.923 -1.396 3.193 1.00 0.00 O ATOM 882 OD2 ASP A 833 23.677 -2.370 2.316 1.00 0.00 O ATOM 0 H ASP A 833 21.703 -5.932 4.669 1.00 0.00 H new ATOM 0 HA ASP A 833 23.034 -3.411 5.243 1.00 0.00 H new ATOM 0 HB2 ASP A 833 22.658 -4.557 2.924 1.00 0.00 H new ATOM 0 HB3 ASP A 833 21.040 -3.892 3.039 1.00 0.00 H new ATOM 887 N PHE A 834 21.081 -2.870 6.798 1.00 0.00 N ATOM 888 CA PHE A 834 20.028 -2.219 7.571 1.00 0.00 C ATOM 889 C PHE A 834 19.611 -0.882 6.965 1.00 0.00 C ATOM 890 O PHE A 834 18.499 -0.413 7.202 1.00 0.00 O ATOM 891 CB PHE A 834 20.475 -2.022 9.024 1.00 0.00 C ATOM 892 CG PHE A 834 20.951 -3.284 9.685 1.00 0.00 C ATOM 893 CD1 PHE A 834 20.049 -4.256 10.090 1.00 0.00 C ATOM 894 CD2 PHE A 834 22.302 -3.499 9.902 1.00 0.00 C ATOM 895 CE1 PHE A 834 20.488 -5.419 10.696 1.00 0.00 C ATOM 896 CE2 PHE A 834 22.746 -4.660 10.508 1.00 0.00 C ATOM 897 CZ PHE A 834 21.840 -5.622 10.904 1.00 0.00 C ATOM 0 H PHE A 834 21.942 -3.030 7.321 1.00 0.00 H new ATOM 0 HA PHE A 834 19.158 -2.876 7.546 1.00 0.00 H new ATOM 0 HB2 PHE A 834 21.276 -1.283 9.052 1.00 0.00 H new ATOM 0 HB3 PHE A 834 19.644 -1.613 9.598 1.00 0.00 H new ATOM 0 HD1 PHE A 834 18.992 -4.103 9.930 1.00 0.00 H new ATOM 0 HD2 PHE A 834 23.017 -2.751 9.594 1.00 0.00 H new ATOM 0 HE1 PHE A 834 19.775 -6.168 11.007 1.00 0.00 H new ATOM 0 HE2 PHE A 834 23.802 -4.814 10.671 1.00 0.00 H new ATOM 0 HZ PHE A 834 22.185 -6.531 11.375 1.00 0.00 H new ATOM 907 N ALA A 835 20.495 -0.264 6.196 1.00 0.00 N ATOM 908 CA ALA A 835 20.146 0.964 5.493 1.00 0.00 C ATOM 909 C ALA A 835 19.095 0.677 4.428 1.00 0.00 C ATOM 910 O ALA A 835 18.107 1.407 4.290 1.00 0.00 O ATOM 911 CB ALA A 835 21.380 1.592 4.866 1.00 0.00 C ATOM 0 H ALA A 835 21.450 -0.587 6.043 1.00 0.00 H new ATOM 0 HA ALA A 835 19.733 1.671 6.213 1.00 0.00 H new ATOM 0 HB1 ALA A 835 21.098 2.508 4.346 1.00 0.00 H new ATOM 0 HB2 ALA A 835 22.105 1.826 5.645 1.00 0.00 H new ATOM 0 HB3 ALA A 835 21.823 0.893 4.156 1.00 0.00 H new ATOM 917 N ALA A 836 19.291 -0.420 3.711 1.00 0.00 N ATOM 918 CA ALA A 836 18.371 -0.813 2.655 1.00 0.00 C ATOM 919 C ALA A 836 17.122 -1.418 3.264 1.00 0.00 C ATOM 920 O ALA A 836 16.016 -1.251 2.748 1.00 0.00 O ATOM 921 CB ALA A 836 19.029 -1.799 1.704 1.00 0.00 C ATOM 0 H ALA A 836 20.079 -1.054 3.842 1.00 0.00 H new ATOM 0 HA ALA A 836 18.096 0.073 2.083 1.00 0.00 H new ATOM 0 HB1 ALA A 836 18.322 -2.078 0.923 1.00 0.00 H new ATOM 0 HB2 ALA A 836 19.906 -1.337 1.251 1.00 0.00 H new ATOM 0 HB3 ALA A 836 19.331 -2.690 2.255 1.00 0.00 H new ATOM 927 N LEU A 837 17.317 -2.120 4.371 1.00 0.00 N ATOM 928 CA LEU A 837 16.217 -2.681 5.136 1.00 0.00 C ATOM 929 C LEU A 837 15.255 -1.578 5.551 1.00 0.00 C ATOM 930 O LEU A 837 14.053 -1.671 5.314 1.00 0.00 O ATOM 931 CB LEU A 837 16.753 -3.400 6.376 1.00 0.00 C ATOM 932 CG LEU A 837 16.712 -4.930 6.323 1.00 0.00 C ATOM 933 CD1 LEU A 837 16.886 -5.426 4.896 1.00 0.00 C ATOM 934 CD2 LEU A 837 17.788 -5.518 7.223 1.00 0.00 C ATOM 0 H LEU A 837 18.239 -2.315 4.761 1.00 0.00 H new ATOM 0 HA LEU A 837 15.685 -3.400 4.513 1.00 0.00 H new ATOM 0 HB2 LEU A 837 17.785 -3.087 6.538 1.00 0.00 H new ATOM 0 HB3 LEU A 837 16.180 -3.069 7.242 1.00 0.00 H new ATOM 0 HG LEU A 837 15.737 -5.259 6.682 1.00 0.00 H new ATOM 0 HD11 LEU A 837 16.854 -6.515 4.883 1.00 0.00 H new ATOM 0 HD12 LEU A 837 16.083 -5.032 4.273 1.00 0.00 H new ATOM 0 HD13 LEU A 837 17.846 -5.087 4.508 1.00 0.00 H new ATOM 0 HD21 LEU A 837 17.747 -6.606 7.176 1.00 0.00 H new ATOM 0 HD22 LEU A 837 18.768 -5.177 6.889 1.00 0.00 H new ATOM 0 HD23 LEU A 837 17.621 -5.193 8.250 1.00 0.00 H new ATOM 946 N ALA A 838 15.802 -0.526 6.149 1.00 0.00 N ATOM 947 CA ALA A 838 15.003 0.607 6.589 1.00 0.00 C ATOM 948 C ALA A 838 14.281 1.259 5.417 1.00 0.00 C ATOM 949 O ALA A 838 13.088 1.547 5.501 1.00 0.00 O ATOM 950 CB ALA A 838 15.879 1.623 7.303 1.00 0.00 C ATOM 0 H ALA A 838 16.800 -0.436 6.340 1.00 0.00 H new ATOM 0 HA ALA A 838 14.249 0.240 7.285 1.00 0.00 H new ATOM 0 HB1 ALA A 838 15.269 2.466 7.627 1.00 0.00 H new ATOM 0 HB2 ALA A 838 16.344 1.156 8.172 1.00 0.00 H new ATOM 0 HB3 ALA A 838 16.654 1.977 6.623 1.00 0.00 H new ATOM 956 N GLN A 839 15.001 1.481 4.320 1.00 0.00 N ATOM 957 CA GLN A 839 14.418 2.112 3.142 1.00 0.00 C ATOM 958 C GLN A 839 13.249 1.300 2.588 1.00 0.00 C ATOM 959 O GLN A 839 12.176 1.845 2.320 1.00 0.00 O ATOM 960 CB GLN A 839 15.482 2.305 2.063 1.00 0.00 C ATOM 961 CG GLN A 839 15.918 3.751 1.904 1.00 0.00 C ATOM 962 CD GLN A 839 14.810 4.642 1.370 1.00 0.00 C ATOM 963 OE1 GLN A 839 13.804 4.871 2.040 1.00 0.00 O ATOM 964 NE2 GLN A 839 14.987 5.152 0.162 1.00 0.00 N ATOM 0 H GLN A 839 15.986 1.234 4.224 1.00 0.00 H new ATOM 0 HA GLN A 839 14.033 3.086 3.445 1.00 0.00 H new ATOM 0 HB2 GLN A 839 16.352 1.695 2.306 1.00 0.00 H new ATOM 0 HB3 GLN A 839 15.095 1.942 1.111 1.00 0.00 H new ATOM 0 HG2 GLN A 839 16.253 4.133 2.868 1.00 0.00 H new ATOM 0 HG3 GLN A 839 16.772 3.796 1.229 1.00 0.00 H new ATOM 0 HE21 GLN A 839 15.835 4.938 -0.362 1.00 0.00 H new ATOM 0 HE22 GLN A 839 14.275 5.759 -0.245 1.00 0.00 H new ATOM 973 N THR A 840 13.443 -0.003 2.438 1.00 0.00 N ATOM 974 CA THR A 840 12.395 -0.861 1.908 1.00 0.00 C ATOM 975 C THR A 840 11.278 -1.064 2.933 1.00 0.00 C ATOM 976 O THR A 840 10.134 -1.334 2.571 1.00 0.00 O ATOM 977 CB THR A 840 12.950 -2.224 1.455 1.00 0.00 C ATOM 978 OG1 THR A 840 14.261 -2.052 0.894 1.00 0.00 O ATOM 979 CG2 THR A 840 12.039 -2.862 0.416 1.00 0.00 C ATOM 0 H THR A 840 14.310 -0.485 2.674 1.00 0.00 H new ATOM 0 HA THR A 840 11.981 -0.356 1.035 1.00 0.00 H new ATOM 0 HB THR A 840 13.002 -2.878 2.325 1.00 0.00 H new ATOM 0 HG1 THR A 840 14.930 -2.090 1.609 1.00 0.00 H new ATOM 0 HG21 THR A 840 12.452 -3.824 0.111 1.00 0.00 H new ATOM 0 HG22 THR A 840 11.048 -3.012 0.844 1.00 0.00 H new ATOM 0 HG23 THR A 840 11.964 -2.208 -0.453 1.00 0.00 H new ATOM 987 N ALA A 841 11.608 -0.920 4.213 1.00 0.00 N ATOM 988 CA ALA A 841 10.603 -0.975 5.264 1.00 0.00 C ATOM 989 C ALA A 841 9.672 0.224 5.159 1.00 0.00 C ATOM 990 O ALA A 841 8.460 0.094 5.331 1.00 0.00 O ATOM 991 CB ALA A 841 11.253 -1.026 6.641 1.00 0.00 C ATOM 0 H ALA A 841 12.560 -0.765 4.544 1.00 0.00 H new ATOM 0 HA ALA A 841 10.021 -1.887 5.134 1.00 0.00 H new ATOM 0 HB1 ALA A 841 10.479 -1.067 7.407 1.00 0.00 H new ATOM 0 HB2 ALA A 841 11.882 -1.913 6.714 1.00 0.00 H new ATOM 0 HB3 ALA A 841 11.863 -0.135 6.788 1.00 0.00 H new ATOM 997 N HIS A 842 10.242 1.393 4.860 1.00 0.00 N ATOM 998 CA HIS A 842 9.439 2.589 4.614 1.00 0.00 C ATOM 999 C HIS A 842 8.542 2.352 3.408 1.00 0.00 C ATOM 1000 O HIS A 842 7.357 2.682 3.423 1.00 0.00 O ATOM 1001 CB HIS A 842 10.307 3.826 4.345 1.00 0.00 C ATOM 1002 CG HIS A 842 11.364 4.120 5.369 1.00 0.00 C ATOM 1003 ND1 HIS A 842 11.256 3.795 6.706 1.00 0.00 N ATOM 1004 CD2 HIS A 842 12.564 4.726 5.233 1.00 0.00 C ATOM 1005 CE1 HIS A 842 12.343 4.189 7.341 1.00 0.00 C ATOM 1006 NE2 HIS A 842 13.156 4.754 6.470 1.00 0.00 N ATOM 0 H HIS A 842 11.249 1.535 4.783 1.00 0.00 H new ATOM 0 HA HIS A 842 8.849 2.778 5.511 1.00 0.00 H new ATOM 0 HB2 HIS A 842 10.791 3.703 3.376 1.00 0.00 H new ATOM 0 HB3 HIS A 842 9.653 4.695 4.266 1.00 0.00 H new ATOM 0 HD1 HIS A 842 10.460 3.324 7.136 1.00 0.00 H new ATOM 0 HD2 HIS A 842 12.981 5.117 4.317 1.00 0.00 H new ATOM 0 HE1 HIS A 842 12.535 4.069 8.397 1.00 0.00 H new ATOM 1015 N ARG A 843 9.132 1.771 2.369 1.00 0.00 N ATOM 1016 CA ARG A 843 8.409 1.422 1.155 1.00 0.00 C ATOM 1017 C ARG A 843 7.211 0.537 1.478 1.00 0.00 C ATOM 1018 O ARG A 843 6.084 0.830 1.085 1.00 0.00 O ATOM 1019 CB ARG A 843 9.338 0.687 0.188 1.00 0.00 C ATOM 1020 CG ARG A 843 9.664 1.472 -1.068 1.00 0.00 C ATOM 1021 CD ARG A 843 10.878 2.366 -0.870 1.00 0.00 C ATOM 1022 NE ARG A 843 10.583 3.753 -1.215 1.00 0.00 N ATOM 1023 CZ ARG A 843 10.459 4.197 -2.463 1.00 0.00 C ATOM 1024 NH1 ARG A 843 10.768 3.411 -3.487 1.00 0.00 N ATOM 1025 NH2 ARG A 843 10.074 5.444 -2.684 1.00 0.00 N ATOM 0 H ARG A 843 10.123 1.530 2.346 1.00 0.00 H new ATOM 0 HA ARG A 843 8.053 2.342 0.692 1.00 0.00 H new ATOM 0 HB2 ARG A 843 10.267 0.445 0.705 1.00 0.00 H new ATOM 0 HB3 ARG A 843 8.876 -0.259 -0.096 1.00 0.00 H new ATOM 0 HG2 ARG A 843 9.850 0.782 -1.891 1.00 0.00 H new ATOM 0 HG3 ARG A 843 8.805 2.081 -1.350 1.00 0.00 H new ATOM 0 HD2 ARG A 843 11.207 2.310 0.168 1.00 0.00 H new ATOM 0 HD3 ARG A 843 11.702 2.004 -1.485 1.00 0.00 H new ATOM 0 HE ARG A 843 10.465 4.422 -0.454 1.00 0.00 H new ATOM 0 HH11 ARG A 843 11.102 2.462 -3.319 1.00 0.00 H new ATOM 0 HH12 ARG A 843 10.671 3.756 -4.442 1.00 0.00 H new ATOM 0 HH21 ARG A 843 9.873 6.063 -1.898 1.00 0.00 H new ATOM 0 HH22 ARG A 843 9.978 5.786 -3.640 1.00 0.00 H new ATOM 1039 N LEU A 844 7.473 -0.528 2.224 1.00 0.00 N ATOM 1040 CA LEU A 844 6.452 -1.516 2.556 1.00 0.00 C ATOM 1041 C LEU A 844 5.392 -0.918 3.476 1.00 0.00 C ATOM 1042 O LEU A 844 4.201 -1.198 3.333 1.00 0.00 O ATOM 1043 CB LEU A 844 7.101 -2.736 3.221 1.00 0.00 C ATOM 1044 CG LEU A 844 7.216 -3.984 2.340 1.00 0.00 C ATOM 1045 CD1 LEU A 844 5.869 -4.675 2.220 1.00 0.00 C ATOM 1046 CD2 LEU A 844 7.765 -3.628 0.964 1.00 0.00 C ATOM 0 H LEU A 844 8.393 -0.732 2.615 1.00 0.00 H new ATOM 0 HA LEU A 844 5.964 -1.828 1.633 1.00 0.00 H new ATOM 0 HB2 LEU A 844 8.100 -2.457 3.557 1.00 0.00 H new ATOM 0 HB3 LEU A 844 6.525 -2.992 4.110 1.00 0.00 H new ATOM 0 HG LEU A 844 7.915 -4.673 2.813 1.00 0.00 H new ATOM 0 HD11 LEU A 844 5.969 -5.560 1.591 1.00 0.00 H new ATOM 0 HD12 LEU A 844 5.522 -4.971 3.210 1.00 0.00 H new ATOM 0 HD13 LEU A 844 5.148 -3.991 1.773 1.00 0.00 H new ATOM 0 HD21 LEU A 844 7.838 -4.530 0.357 1.00 0.00 H new ATOM 0 HD22 LEU A 844 7.097 -2.917 0.479 1.00 0.00 H new ATOM 0 HD23 LEU A 844 8.754 -3.182 1.071 1.00 0.00 H new ATOM 1058 N LYS A 845 5.834 -0.102 4.421 1.00 0.00 N ATOM 1059 CA LYS A 845 4.924 0.589 5.323 1.00 0.00 C ATOM 1060 C LYS A 845 4.000 1.511 4.532 1.00 0.00 C ATOM 1061 O LYS A 845 2.786 1.527 4.745 1.00 0.00 O ATOM 1062 CB LYS A 845 5.722 1.386 6.361 1.00 0.00 C ATOM 1063 CG LYS A 845 4.930 2.495 7.037 1.00 0.00 C ATOM 1064 CD LYS A 845 5.806 3.318 7.967 1.00 0.00 C ATOM 1065 CE LYS A 845 6.477 2.451 9.019 1.00 0.00 C ATOM 1066 NZ LYS A 845 6.917 3.245 10.195 1.00 0.00 N ATOM 0 H LYS A 845 6.821 0.099 4.584 1.00 0.00 H new ATOM 0 HA LYS A 845 4.312 -0.147 5.845 1.00 0.00 H new ATOM 0 HB2 LYS A 845 6.091 0.701 7.124 1.00 0.00 H new ATOM 0 HB3 LYS A 845 6.595 1.822 5.875 1.00 0.00 H new ATOM 0 HG2 LYS A 845 4.492 3.144 6.279 1.00 0.00 H new ATOM 0 HG3 LYS A 845 4.105 2.062 7.602 1.00 0.00 H new ATOM 0 HD2 LYS A 845 6.567 3.838 7.385 1.00 0.00 H new ATOM 0 HD3 LYS A 845 5.201 4.081 8.456 1.00 0.00 H new ATOM 0 HE2 LYS A 845 5.785 1.674 9.344 1.00 0.00 H new ATOM 0 HE3 LYS A 845 7.338 1.947 8.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 845 7.822 2.872 10.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 845 7.037 4.240 9.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 845 6.200 3.180 10.946 1.00 0.00 H new ATOM 1080 N GLY A 846 4.589 2.248 3.596 1.00 0.00 N ATOM 1081 CA GLY A 846 3.837 3.190 2.793 1.00 0.00 C ATOM 1082 C GLY A 846 2.847 2.515 1.868 1.00 0.00 C ATOM 1083 O GLY A 846 1.691 2.919 1.802 1.00 0.00 O ATOM 0 H GLY A 846 5.585 2.207 3.379 1.00 0.00 H new ATOM 0 HA2 GLY A 846 3.303 3.876 3.451 1.00 0.00 H new ATOM 0 HA3 GLY A 846 4.529 3.790 2.202 1.00 0.00 H new ATOM 1087 N VAL A 847 3.287 1.483 1.155 1.00 0.00 N ATOM 1088 CA VAL A 847 2.417 0.802 0.201 1.00 0.00 C ATOM 1089 C VAL A 847 1.266 0.087 0.904 1.00 0.00 C ATOM 1090 O VAL A 847 0.135 0.131 0.434 1.00 0.00 O ATOM 1091 CB VAL A 847 3.183 -0.202 -0.695 1.00 0.00 C ATOM 1092 CG1 VAL A 847 4.107 0.532 -1.657 1.00 0.00 C ATOM 1093 CG2 VAL A 847 3.963 -1.213 0.132 1.00 0.00 C ATOM 0 H VAL A 847 4.231 1.102 1.218 1.00 0.00 H new ATOM 0 HA VAL A 847 2.012 1.583 -0.442 1.00 0.00 H new ATOM 0 HB VAL A 847 2.443 -0.754 -1.275 1.00 0.00 H new ATOM 0 HG11 VAL A 847 4.636 -0.192 -2.277 1.00 0.00 H new ATOM 0 HG12 VAL A 847 3.519 1.194 -2.293 1.00 0.00 H new ATOM 0 HG13 VAL A 847 4.829 1.120 -1.091 1.00 0.00 H new ATOM 0 HG21 VAL A 847 4.487 -1.900 -0.533 1.00 0.00 H new ATOM 0 HG22 VAL A 847 4.687 -0.690 0.757 1.00 0.00 H new ATOM 0 HG23 VAL A 847 3.275 -1.774 0.765 1.00 0.00 H new ATOM 1103 N PHE A 848 1.542 -0.551 2.036 1.00 0.00 N ATOM 1104 CA PHE A 848 0.494 -1.231 2.785 1.00 0.00 C ATOM 1105 C PHE A 848 -0.509 -0.213 3.325 1.00 0.00 C ATOM 1106 O PHE A 848 -1.719 -0.384 3.174 1.00 0.00 O ATOM 1107 CB PHE A 848 1.098 -2.071 3.912 1.00 0.00 C ATOM 1108 CG PHE A 848 1.451 -3.475 3.488 1.00 0.00 C ATOM 1109 CD1 PHE A 848 0.849 -4.053 2.380 1.00 0.00 C ATOM 1110 CD2 PHE A 848 2.388 -4.212 4.193 1.00 0.00 C ATOM 1111 CE1 PHE A 848 1.172 -5.339 1.987 1.00 0.00 C ATOM 1112 CE2 PHE A 848 2.716 -5.500 3.805 1.00 0.00 C ATOM 1113 CZ PHE A 848 2.107 -6.064 2.698 1.00 0.00 C ATOM 0 H PHE A 848 2.472 -0.611 2.451 1.00 0.00 H new ATOM 0 HA PHE A 848 -0.037 -1.909 2.117 1.00 0.00 H new ATOM 0 HB2 PHE A 848 1.995 -1.575 4.284 1.00 0.00 H new ATOM 0 HB3 PHE A 848 0.391 -2.116 4.741 1.00 0.00 H new ATOM 0 HD1 PHE A 848 0.118 -3.491 1.817 1.00 0.00 H new ATOM 0 HD2 PHE A 848 2.869 -3.777 5.056 1.00 0.00 H new ATOM 0 HE1 PHE A 848 0.693 -5.776 1.124 1.00 0.00 H new ATOM 0 HE2 PHE A 848 3.447 -6.064 4.366 1.00 0.00 H new ATOM 0 HZ PHE A 848 2.362 -7.068 2.391 1.00 0.00 H new ATOM 1123 N ALA A 849 -0.003 0.875 3.903 1.00 0.00 N ATOM 1124 CA ALA A 849 -0.861 1.957 4.382 1.00 0.00 C ATOM 1125 C ALA A 849 -1.637 2.574 3.219 1.00 0.00 C ATOM 1126 O ALA A 849 -2.756 3.066 3.386 1.00 0.00 O ATOM 1127 CB ALA A 849 -0.028 3.017 5.090 1.00 0.00 C ATOM 0 H ALA A 849 0.994 1.030 4.051 1.00 0.00 H new ATOM 0 HA ALA A 849 -1.576 1.546 5.095 1.00 0.00 H new ATOM 0 HB1 ALA A 849 -0.680 3.817 5.442 1.00 0.00 H new ATOM 0 HB2 ALA A 849 0.486 2.568 5.940 1.00 0.00 H new ATOM 0 HB3 ALA A 849 0.706 3.426 4.396 1.00 0.00 H new ATOM 1133 N MET A 850 -1.027 2.532 2.041 1.00 0.00 N ATOM 1134 CA MET A 850 -1.649 3.010 0.813 1.00 0.00 C ATOM 1135 C MET A 850 -2.814 2.102 0.410 1.00 0.00 C ATOM 1136 O MET A 850 -3.885 2.580 0.030 1.00 0.00 O ATOM 1137 CB MET A 850 -0.597 3.072 -0.301 1.00 0.00 C ATOM 1138 CG MET A 850 -1.174 3.197 -1.699 1.00 0.00 C ATOM 1139 SD MET A 850 -0.509 4.611 -2.603 1.00 0.00 S ATOM 1140 CE MET A 850 -1.345 5.964 -1.779 1.00 0.00 C ATOM 0 H MET A 850 -0.085 2.164 1.910 1.00 0.00 H new ATOM 0 HA MET A 850 -2.049 4.010 0.980 1.00 0.00 H new ATOM 0 HB2 MET A 850 0.062 3.920 -0.115 1.00 0.00 H new ATOM 0 HB3 MET A 850 0.019 2.174 -0.254 1.00 0.00 H new ATOM 0 HG2 MET A 850 -0.966 2.284 -2.257 1.00 0.00 H new ATOM 0 HG3 MET A 850 -2.258 3.290 -1.633 1.00 0.00 H new ATOM 0 HE1 MET A 850 -1.037 6.909 -2.227 1.00 0.00 H new ATOM 0 HE2 MET A 850 -2.423 5.846 -1.887 1.00 0.00 H new ATOM 0 HE3 MET A 850 -1.084 5.962 -0.721 1.00 0.00 H new ATOM 1150 N LEU A 851 -2.604 0.793 0.510 1.00 0.00 N ATOM 1151 CA LEU A 851 -3.650 -0.179 0.203 1.00 0.00 C ATOM 1152 C LEU A 851 -4.644 -0.278 1.355 1.00 0.00 C ATOM 1153 O LEU A 851 -5.641 -0.990 1.255 1.00 0.00 O ATOM 1154 CB LEU A 851 -3.053 -1.565 -0.083 1.00 0.00 C ATOM 1155 CG LEU A 851 -1.782 -1.577 -0.937 1.00 0.00 C ATOM 1156 CD1 LEU A 851 -1.082 -2.923 -0.829 1.00 0.00 C ATOM 1157 CD2 LEU A 851 -2.104 -1.262 -2.388 1.00 0.00 C ATOM 0 H LEU A 851 -1.718 0.380 0.802 1.00 0.00 H new ATOM 0 HA LEU A 851 -4.169 0.167 -0.691 1.00 0.00 H new ATOM 0 HB2 LEU A 851 -2.834 -2.049 0.869 1.00 0.00 H new ATOM 0 HB3 LEU A 851 -3.810 -2.170 -0.582 1.00 0.00 H new ATOM 0 HG LEU A 851 -1.111 -0.805 -0.561 1.00 0.00 H new ATOM 0 HD11 LEU A 851 -0.181 -2.915 -1.442 1.00 0.00 H new ATOM 0 HD12 LEU A 851 -0.812 -3.110 0.210 1.00 0.00 H new ATOM 0 HD13 LEU A 851 -1.751 -3.710 -1.178 1.00 0.00 H new ATOM 0 HD21 LEU A 851 -1.186 -1.276 -2.976 1.00 0.00 H new ATOM 0 HD22 LEU A 851 -2.796 -2.009 -2.778 1.00 0.00 H new ATOM 0 HD23 LEU A 851 -2.561 -0.275 -2.453 1.00 0.00 H new ATOM 1169 N ASN A 852 -4.325 0.418 2.455 1.00 0.00 N ATOM 1170 CA ASN A 852 -5.195 0.528 3.636 1.00 0.00 C ATOM 1171 C ASN A 852 -4.972 -0.652 4.571 1.00 0.00 C ATOM 1172 O ASN A 852 -5.694 -0.832 5.551 1.00 0.00 O ATOM 1173 CB ASN A 852 -6.683 0.630 3.257 1.00 0.00 C ATOM 1174 CG ASN A 852 -7.169 2.065 3.163 1.00 0.00 C ATOM 1175 OD1 ASN A 852 -7.959 2.523 3.992 1.00 0.00 O ATOM 1176 ND2 ASN A 852 -6.709 2.782 2.149 1.00 0.00 N ATOM 0 H ASN A 852 -3.446 0.926 2.552 1.00 0.00 H new ATOM 0 HA ASN A 852 -4.925 1.452 4.148 1.00 0.00 H new ATOM 0 HB2 ASN A 852 -6.844 0.133 2.300 1.00 0.00 H new ATOM 0 HB3 ASN A 852 -7.279 0.097 3.998 1.00 0.00 H new ATOM 0 HD21 ASN A 852 -7.007 3.750 2.032 1.00 0.00 H new ATOM 0 HD22 ASN A 852 -6.056 2.366 1.485 1.00 0.00 H new ATOM 1183 N LEU A 853 -3.940 -1.427 4.275 1.00 0.00 N ATOM 1184 CA LEU A 853 -3.593 -2.610 5.047 1.00 0.00 C ATOM 1185 C LEU A 853 -2.869 -2.219 6.335 1.00 0.00 C ATOM 1186 O LEU A 853 -1.639 -2.261 6.407 1.00 0.00 O ATOM 1187 CB LEU A 853 -2.715 -3.534 4.199 1.00 0.00 C ATOM 1188 CG LEU A 853 -3.478 -4.444 3.231 1.00 0.00 C ATOM 1189 CD1 LEU A 853 -2.515 -5.359 2.491 1.00 0.00 C ATOM 1190 CD2 LEU A 853 -4.530 -5.260 3.974 1.00 0.00 C ATOM 0 H LEU A 853 -3.316 -1.252 3.488 1.00 0.00 H new ATOM 0 HA LEU A 853 -4.507 -3.136 5.321 1.00 0.00 H new ATOM 0 HB2 LEU A 853 -2.018 -2.923 3.626 1.00 0.00 H new ATOM 0 HB3 LEU A 853 -2.119 -4.157 4.866 1.00 0.00 H new ATOM 0 HG LEU A 853 -3.988 -3.817 2.500 1.00 0.00 H new ATOM 0 HD11 LEU A 853 -3.073 -5.999 1.808 1.00 0.00 H new ATOM 0 HD12 LEU A 853 -1.804 -4.757 1.925 1.00 0.00 H new ATOM 0 HD13 LEU A 853 -1.977 -5.978 3.209 1.00 0.00 H new ATOM 0 HD21 LEU A 853 -5.060 -5.899 3.268 1.00 0.00 H new ATOM 0 HD22 LEU A 853 -4.045 -5.878 4.729 1.00 0.00 H new ATOM 0 HD23 LEU A 853 -5.239 -4.587 4.457 1.00 0.00 H new ATOM 1202 N VAL A 854 -3.643 -1.830 7.344 1.00 0.00 N ATOM 1203 CA VAL A 854 -3.089 -1.398 8.627 1.00 0.00 C ATOM 1204 C VAL A 854 -2.194 -2.468 9.262 1.00 0.00 C ATOM 1205 O VAL A 854 -1.034 -2.191 9.552 1.00 0.00 O ATOM 1206 CB VAL A 854 -4.192 -0.995 9.634 1.00 0.00 C ATOM 1207 CG1 VAL A 854 -3.592 -0.265 10.825 1.00 0.00 C ATOM 1208 CG2 VAL A 854 -5.249 -0.136 8.963 1.00 0.00 C ATOM 0 H VAL A 854 -4.662 -1.805 7.299 1.00 0.00 H new ATOM 0 HA VAL A 854 -2.482 -0.521 8.402 1.00 0.00 H new ATOM 0 HB VAL A 854 -4.670 -1.907 9.993 1.00 0.00 H new ATOM 0 HG11 VAL A 854 -4.385 0.009 11.521 1.00 0.00 H new ATOM 0 HG12 VAL A 854 -2.877 -0.916 11.328 1.00 0.00 H new ATOM 0 HG13 VAL A 854 -3.083 0.636 10.481 1.00 0.00 H new ATOM 0 HG21 VAL A 854 -6.014 0.135 9.691 1.00 0.00 H new ATOM 0 HG22 VAL A 854 -4.786 0.769 8.569 1.00 0.00 H new ATOM 0 HG23 VAL A 854 -5.707 -0.694 8.146 1.00 0.00 H new ATOM 1218 N PRO A 855 -2.704 -3.700 9.488 1.00 0.00 N ATOM 1219 CA PRO A 855 -1.915 -4.777 10.110 1.00 0.00 C ATOM 1220 C PRO A 855 -0.618 -5.079 9.358 1.00 0.00 C ATOM 1221 O PRO A 855 0.414 -5.361 9.974 1.00 0.00 O ATOM 1222 CB PRO A 855 -2.847 -5.994 10.076 1.00 0.00 C ATOM 1223 CG PRO A 855 -3.957 -5.632 9.151 1.00 0.00 C ATOM 1224 CD PRO A 855 -4.077 -4.140 9.192 1.00 0.00 C ATOM 0 HA PRO A 855 -1.598 -4.498 11.115 1.00 0.00 H new ATOM 0 HB2 PRO A 855 -2.319 -6.881 9.725 1.00 0.00 H new ATOM 0 HB3 PRO A 855 -3.227 -6.223 11.072 1.00 0.00 H new ATOM 0 HG2 PRO A 855 -3.746 -5.976 8.139 1.00 0.00 H new ATOM 0 HG3 PRO A 855 -4.889 -6.105 9.460 1.00 0.00 H new ATOM 0 HD2 PRO A 855 -4.433 -3.738 8.243 1.00 0.00 H new ATOM 0 HD3 PRO A 855 -4.779 -3.813 9.959 1.00 0.00 H new ATOM 1232 N GLY A 856 -0.674 -5.019 8.032 1.00 0.00 N ATOM 1233 CA GLY A 856 0.522 -5.207 7.234 1.00 0.00 C ATOM 1234 C GLY A 856 1.521 -4.094 7.465 1.00 0.00 C ATOM 1235 O GLY A 856 2.695 -4.345 7.748 1.00 0.00 O ATOM 0 H GLY A 856 -1.525 -4.844 7.497 1.00 0.00 H new ATOM 0 HA2 GLY A 856 0.979 -6.165 7.481 1.00 0.00 H new ATOM 0 HA3 GLY A 856 0.254 -5.244 6.178 1.00 0.00 H new ATOM 1239 N LYS A 857 1.046 -2.858 7.361 1.00 0.00 N ATOM 1240 CA LYS A 857 1.876 -1.691 7.623 1.00 0.00 C ATOM 1241 C LYS A 857 2.427 -1.757 9.044 1.00 0.00 C ATOM 1242 O LYS A 857 3.582 -1.420 9.286 1.00 0.00 O ATOM 1243 CB LYS A 857 1.060 -0.409 7.408 1.00 0.00 C ATOM 1244 CG LYS A 857 1.528 0.783 8.229 1.00 0.00 C ATOM 1245 CD LYS A 857 0.476 1.198 9.243 1.00 0.00 C ATOM 1246 CE LYS A 857 0.098 2.660 9.088 1.00 0.00 C ATOM 1247 NZ LYS A 857 0.453 3.456 10.291 1.00 0.00 N ATOM 0 H LYS A 857 0.086 -2.639 7.096 1.00 0.00 H new ATOM 0 HA LYS A 857 2.717 -1.680 6.929 1.00 0.00 H new ATOM 0 HB2 LYS A 857 1.097 -0.143 6.352 1.00 0.00 H new ATOM 0 HB3 LYS A 857 0.017 -0.613 7.649 1.00 0.00 H new ATOM 0 HG2 LYS A 857 2.455 0.531 8.745 1.00 0.00 H new ATOM 0 HG3 LYS A 857 1.749 1.620 7.567 1.00 0.00 H new ATOM 0 HD2 LYS A 857 -0.412 0.577 9.122 1.00 0.00 H new ATOM 0 HD3 LYS A 857 0.852 1.024 10.251 1.00 0.00 H new ATOM 0 HE2 LYS A 857 0.604 3.075 8.216 1.00 0.00 H new ATOM 0 HE3 LYS A 857 -0.973 2.740 8.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 857 0.194 4.451 10.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 857 -0.062 3.087 11.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 857 1.476 3.387 10.463 1.00 0.00 H new ATOM 1261 N GLN A 858 1.588 -2.219 9.964 1.00 0.00 N ATOM 1262 CA GLN A 858 1.964 -2.421 11.351 1.00 0.00 C ATOM 1263 C GLN A 858 3.181 -3.338 11.456 1.00 0.00 C ATOM 1264 O GLN A 858 4.093 -3.088 12.246 1.00 0.00 O ATOM 1265 CB GLN A 858 0.780 -3.022 12.105 1.00 0.00 C ATOM 1266 CG GLN A 858 0.888 -2.905 13.605 1.00 0.00 C ATOM 1267 CD GLN A 858 0.506 -4.190 14.307 1.00 0.00 C ATOM 1268 OE1 GLN A 858 1.357 -5.024 14.611 1.00 0.00 O ATOM 1269 NE2 GLN A 858 -0.780 -4.367 14.562 1.00 0.00 N ATOM 0 H GLN A 858 0.619 -2.465 9.762 1.00 0.00 H new ATOM 0 HA GLN A 858 2.231 -1.461 11.793 1.00 0.00 H new ATOM 0 HB2 GLN A 858 -0.135 -2.529 11.777 1.00 0.00 H new ATOM 0 HB3 GLN A 858 0.688 -4.075 11.838 1.00 0.00 H new ATOM 0 HG2 GLN A 858 1.909 -2.636 13.874 1.00 0.00 H new ATOM 0 HG3 GLN A 858 0.243 -2.098 13.952 1.00 0.00 H new ATOM 0 HE21 GLN A 858 -1.456 -3.652 14.294 1.00 0.00 H new ATOM 0 HE22 GLN A 858 -1.095 -5.219 15.026 1.00 0.00 H new ATOM 1278 N LEU A 859 3.194 -4.396 10.648 1.00 0.00 N ATOM 1279 CA LEU A 859 4.336 -5.299 10.594 1.00 0.00 C ATOM 1280 C LEU A 859 5.584 -4.536 10.166 1.00 0.00 C ATOM 1281 O LEU A 859 6.649 -4.683 10.767 1.00 0.00 O ATOM 1282 CB LEU A 859 4.072 -6.456 9.624 1.00 0.00 C ATOM 1283 CG LEU A 859 3.055 -7.489 10.104 1.00 0.00 C ATOM 1284 CD1 LEU A 859 2.538 -8.309 8.933 1.00 0.00 C ATOM 1285 CD2 LEU A 859 3.672 -8.394 11.158 1.00 0.00 C ATOM 0 H LEU A 859 2.427 -4.647 10.024 1.00 0.00 H new ATOM 0 HA LEU A 859 4.492 -5.714 11.590 1.00 0.00 H new ATOM 0 HB2 LEU A 859 3.726 -6.043 8.677 1.00 0.00 H new ATOM 0 HB3 LEU A 859 5.015 -6.964 9.425 1.00 0.00 H new ATOM 0 HG LEU A 859 2.214 -6.962 10.554 1.00 0.00 H new ATOM 0 HD11 LEU A 859 1.814 -9.040 9.292 1.00 0.00 H new ATOM 0 HD12 LEU A 859 2.058 -7.649 8.210 1.00 0.00 H new ATOM 0 HD13 LEU A 859 3.370 -8.826 8.456 1.00 0.00 H new ATOM 0 HD21 LEU A 859 2.933 -9.124 11.489 1.00 0.00 H new ATOM 0 HD22 LEU A 859 4.531 -8.914 10.734 1.00 0.00 H new ATOM 0 HD23 LEU A 859 3.995 -7.794 12.009 1.00 0.00 H new ATOM 1297 N CYS A 860 5.436 -3.701 9.142 1.00 0.00 N ATOM 1298 CA CYS A 860 6.544 -2.883 8.651 1.00 0.00 C ATOM 1299 C CYS A 860 7.047 -1.900 9.716 1.00 0.00 C ATOM 1300 O CYS A 860 8.247 -1.648 9.811 1.00 0.00 O ATOM 1301 CB CYS A 860 6.128 -2.125 7.391 1.00 0.00 C ATOM 1302 SG CYS A 860 5.079 -3.080 6.274 1.00 0.00 S ATOM 0 H CYS A 860 4.560 -3.572 8.635 1.00 0.00 H new ATOM 0 HA CYS A 860 7.365 -3.558 8.411 1.00 0.00 H new ATOM 0 HB2 CYS A 860 5.599 -1.218 7.683 1.00 0.00 H new ATOM 0 HB3 CYS A 860 7.024 -1.813 6.854 1.00 0.00 H new ATOM 0 HG CYS A 860 4.013 -3.471 6.908 1.00 0.00 H new ATOM 1308 N GLU A 861 6.134 -1.351 10.517 1.00 0.00 N ATOM 1309 CA GLU A 861 6.515 -0.425 11.588 1.00 0.00 C ATOM 1310 C GLU A 861 7.396 -1.129 12.617 1.00 0.00 C ATOM 1311 O GLU A 861 8.487 -0.657 12.952 1.00 0.00 O ATOM 1312 CB GLU A 861 5.279 0.157 12.283 1.00 0.00 C ATOM 1313 CG GLU A 861 4.200 0.629 11.324 1.00 0.00 C ATOM 1314 CD GLU A 861 3.888 2.102 11.468 1.00 0.00 C ATOM 1315 OE1 GLU A 861 4.814 2.891 11.748 1.00 0.00 O ATOM 1316 OE2 GLU A 861 2.716 2.486 11.283 1.00 0.00 O ATOM 0 H GLU A 861 5.132 -1.528 10.447 1.00 0.00 H new ATOM 0 HA GLU A 861 7.075 0.392 11.133 1.00 0.00 H new ATOM 0 HB2 GLU A 861 4.857 -0.599 12.946 1.00 0.00 H new ATOM 0 HB3 GLU A 861 5.587 0.994 12.909 1.00 0.00 H new ATOM 0 HG2 GLU A 861 4.517 0.428 10.301 1.00 0.00 H new ATOM 0 HG3 GLU A 861 3.291 0.052 11.495 1.00 0.00 H new ATOM 1323 N THR A 862 6.923 -2.270 13.098 1.00 0.00 N ATOM 1324 CA THR A 862 7.679 -3.071 14.049 1.00 0.00 C ATOM 1325 C THR A 862 8.994 -3.549 13.431 1.00 0.00 C ATOM 1326 O THR A 862 10.010 -3.669 14.120 1.00 0.00 O ATOM 1327 CB THR A 862 6.859 -4.282 14.529 1.00 0.00 C ATOM 1328 OG1 THR A 862 5.455 -3.999 14.412 1.00 0.00 O ATOM 1329 CG2 THR A 862 7.192 -4.621 15.973 1.00 0.00 C ATOM 0 H THR A 862 6.016 -2.662 12.844 1.00 0.00 H new ATOM 0 HA THR A 862 7.901 -2.438 14.909 1.00 0.00 H new ATOM 0 HB THR A 862 7.112 -5.138 13.903 1.00 0.00 H new ATOM 0 HG1 THR A 862 4.939 -4.774 14.717 1.00 0.00 H new ATOM 0 HG21 THR A 862 6.601 -5.480 16.291 1.00 0.00 H new ATOM 0 HG22 THR A 862 8.252 -4.860 16.055 1.00 0.00 H new ATOM 0 HG23 THR A 862 6.962 -3.767 16.610 1.00 0.00 H new ATOM 1337 N LEU A 863 8.970 -3.804 12.125 1.00 0.00 N ATOM 1338 CA LEU A 863 10.173 -4.181 11.392 1.00 0.00 C ATOM 1339 C LEU A 863 11.200 -3.057 11.452 1.00 0.00 C ATOM 1340 O LEU A 863 12.388 -3.303 11.652 1.00 0.00 O ATOM 1341 CB LEU A 863 9.839 -4.501 9.934 1.00 0.00 C ATOM 1342 CG LEU A 863 10.297 -5.877 9.446 1.00 0.00 C ATOM 1343 CD1 LEU A 863 9.482 -6.316 8.240 1.00 0.00 C ATOM 1344 CD2 LEU A 863 11.781 -5.859 9.105 1.00 0.00 C ATOM 0 H LEU A 863 8.127 -3.756 11.552 1.00 0.00 H new ATOM 0 HA LEU A 863 10.592 -5.073 11.858 1.00 0.00 H new ATOM 0 HB2 LEU A 863 8.760 -4.427 9.801 1.00 0.00 H new ATOM 0 HB3 LEU A 863 10.291 -3.739 9.299 1.00 0.00 H new ATOM 0 HG LEU A 863 10.137 -6.594 10.251 1.00 0.00 H new ATOM 0 HD11 LEU A 863 9.823 -7.297 7.908 1.00 0.00 H new ATOM 0 HD12 LEU A 863 8.428 -6.372 8.514 1.00 0.00 H new ATOM 0 HD13 LEU A 863 9.610 -5.595 7.433 1.00 0.00 H new ATOM 0 HD21 LEU A 863 12.087 -6.847 8.760 1.00 0.00 H new ATOM 0 HD22 LEU A 863 11.965 -5.127 8.319 1.00 0.00 H new ATOM 0 HD23 LEU A 863 12.355 -5.591 9.992 1.00 0.00 H new ATOM 1356 N GLU A 864 10.730 -1.825 11.283 1.00 0.00 N ATOM 1357 CA GLU A 864 11.591 -0.649 11.369 1.00 0.00 C ATOM 1358 C GLU A 864 12.250 -0.564 12.739 1.00 0.00 C ATOM 1359 O GLU A 864 13.437 -0.258 12.849 1.00 0.00 O ATOM 1360 CB GLU A 864 10.790 0.626 11.105 1.00 0.00 C ATOM 1361 CG GLU A 864 10.710 1.002 9.635 1.00 0.00 C ATOM 1362 CD GLU A 864 9.916 2.268 9.400 1.00 0.00 C ATOM 1363 OE1 GLU A 864 9.605 2.976 10.381 1.00 0.00 O ATOM 1364 OE2 GLU A 864 9.597 2.568 8.233 1.00 0.00 O ATOM 0 H GLU A 864 9.752 -1.614 11.085 1.00 0.00 H new ATOM 0 HA GLU A 864 12.366 -0.745 10.609 1.00 0.00 H new ATOM 0 HB2 GLU A 864 9.780 0.497 11.494 1.00 0.00 H new ATOM 0 HB3 GLU A 864 11.242 1.450 11.658 1.00 0.00 H new ATOM 0 HG2 GLU A 864 11.718 1.132 9.242 1.00 0.00 H new ATOM 0 HG3 GLU A 864 10.254 0.183 9.079 1.00 0.00 H new ATOM 1371 N HIS A 865 11.478 -0.842 13.783 1.00 0.00 N ATOM 1372 CA HIS A 865 12.014 -0.861 15.140 1.00 0.00 C ATOM 1373 C HIS A 865 13.054 -1.972 15.289 1.00 0.00 C ATOM 1374 O HIS A 865 14.019 -1.829 16.028 1.00 0.00 O ATOM 1375 CB HIS A 865 10.887 -1.041 16.170 1.00 0.00 C ATOM 1376 CG HIS A 865 11.365 -1.085 17.595 1.00 0.00 C ATOM 1377 ND1 HIS A 865 11.527 0.038 18.375 1.00 0.00 N ATOM 1378 CD2 HIS A 865 11.732 -2.132 18.372 1.00 0.00 C ATOM 1379 CE1 HIS A 865 11.976 -0.316 19.564 1.00 0.00 C ATOM 1380 NE2 HIS A 865 12.113 -1.629 19.590 1.00 0.00 N ATOM 0 H HIS A 865 10.483 -1.057 13.717 1.00 0.00 H new ATOM 0 HA HIS A 865 12.499 0.097 15.328 1.00 0.00 H new ATOM 0 HB2 HIS A 865 10.175 -0.223 16.061 1.00 0.00 H new ATOM 0 HB3 HIS A 865 10.350 -1.963 15.949 1.00 0.00 H new ATOM 0 HD2 HIS A 865 11.726 -3.173 18.085 1.00 0.00 H new ATOM 0 HE1 HIS A 865 12.195 0.356 20.380 1.00 0.00 H new ATOM 0 HE2 HIS A 865 12.446 -2.177 20.383 1.00 0.00 H new ATOM 1389 N LEU A 866 12.858 -3.078 14.588 1.00 0.00 N ATOM 1390 CA LEU A 866 13.821 -4.172 14.623 1.00 0.00 C ATOM 1391 C LEU A 866 15.089 -3.793 13.863 1.00 0.00 C ATOM 1392 O LEU A 866 16.190 -4.192 14.239 1.00 0.00 O ATOM 1393 CB LEU A 866 13.212 -5.445 14.039 1.00 0.00 C ATOM 1394 CG LEU A 866 12.256 -6.187 14.972 1.00 0.00 C ATOM 1395 CD1 LEU A 866 11.398 -7.162 14.185 1.00 0.00 C ATOM 1396 CD2 LEU A 866 13.029 -6.912 16.064 1.00 0.00 C ATOM 0 H LEU A 866 12.047 -3.243 13.991 1.00 0.00 H new ATOM 0 HA LEU A 866 14.084 -4.362 15.664 1.00 0.00 H new ATOM 0 HB2 LEU A 866 12.678 -5.188 13.124 1.00 0.00 H new ATOM 0 HB3 LEU A 866 14.020 -6.121 13.758 1.00 0.00 H new ATOM 0 HG LEU A 866 11.600 -5.457 15.446 1.00 0.00 H new ATOM 0 HD11 LEU A 866 10.723 -7.682 14.864 1.00 0.00 H new ATOM 0 HD12 LEU A 866 10.816 -6.617 13.442 1.00 0.00 H new ATOM 0 HD13 LEU A 866 12.038 -7.888 13.684 1.00 0.00 H new ATOM 0 HD21 LEU A 866 12.331 -7.434 16.718 1.00 0.00 H new ATOM 0 HD22 LEU A 866 13.710 -7.632 15.611 1.00 0.00 H new ATOM 0 HD23 LEU A 866 13.600 -6.189 16.646 1.00 0.00 H new ATOM 1408 N ILE A 867 14.922 -3.014 12.799 1.00 0.00 N ATOM 1409 CA ILE A 867 16.056 -2.494 12.046 1.00 0.00 C ATOM 1410 C ILE A 867 16.836 -1.498 12.899 1.00 0.00 C ATOM 1411 O ILE A 867 18.063 -1.547 12.963 1.00 0.00 O ATOM 1412 CB ILE A 867 15.602 -1.811 10.734 1.00 0.00 C ATOM 1413 CG1 ILE A 867 15.058 -2.853 9.754 1.00 0.00 C ATOM 1414 CG2 ILE A 867 16.752 -1.036 10.098 1.00 0.00 C ATOM 1415 CD1 ILE A 867 13.915 -2.349 8.900 1.00 0.00 C ATOM 0 H ILE A 867 14.011 -2.729 12.439 1.00 0.00 H new ATOM 0 HA ILE A 867 16.696 -3.337 11.786 1.00 0.00 H new ATOM 0 HB ILE A 867 14.807 -1.105 10.974 1.00 0.00 H new ATOM 0 HG12 ILE A 867 15.867 -3.184 9.103 1.00 0.00 H new ATOM 0 HG13 ILE A 867 14.723 -3.726 10.315 1.00 0.00 H new ATOM 0 HG21 ILE A 867 16.408 -0.565 9.177 1.00 0.00 H new ATOM 0 HG22 ILE A 867 17.100 -0.269 10.790 1.00 0.00 H new ATOM 0 HG23 ILE A 867 17.570 -1.720 9.872 1.00 0.00 H new ATOM 0 HD11 ILE A 867 13.583 -3.143 8.231 1.00 0.00 H new ATOM 0 HD12 ILE A 867 13.088 -2.045 9.542 1.00 0.00 H new ATOM 0 HD13 ILE A 867 14.250 -1.495 8.311 1.00 0.00 H new ATOM 1427 N ARG A 868 16.107 -0.605 13.567 1.00 0.00 N ATOM 1428 CA ARG A 868 16.721 0.373 14.462 1.00 0.00 C ATOM 1429 C ARG A 868 17.477 -0.333 15.581 1.00 0.00 C ATOM 1430 O ARG A 868 18.544 0.111 15.998 1.00 0.00 O ATOM 1431 CB ARG A 868 15.657 1.329 15.044 1.00 0.00 C ATOM 1432 CG ARG A 868 15.050 0.882 16.374 1.00 0.00 C ATOM 1433 CD ARG A 868 15.512 1.741 17.544 1.00 0.00 C ATOM 1434 NE ARG A 868 16.903 1.475 17.921 1.00 0.00 N ATOM 1435 CZ ARG A 868 17.316 1.270 19.173 1.00 0.00 C ATOM 1436 NH1 ARG A 868 16.457 1.339 20.183 1.00 0.00 N ATOM 1437 NH2 ARG A 868 18.596 1.006 19.416 1.00 0.00 N ATOM 0 H ARG A 868 15.091 -0.539 13.505 1.00 0.00 H new ATOM 0 HA ARG A 868 17.430 0.967 13.885 1.00 0.00 H new ATOM 0 HB2 ARG A 868 16.108 2.312 15.179 1.00 0.00 H new ATOM 0 HB3 ARG A 868 14.855 1.444 14.315 1.00 0.00 H new ATOM 0 HG2 ARG A 868 13.963 0.922 16.305 1.00 0.00 H new ATOM 0 HG3 ARG A 868 15.320 -0.157 16.562 1.00 0.00 H new ATOM 0 HD2 ARG A 868 15.405 2.794 17.282 1.00 0.00 H new ATOM 0 HD3 ARG A 868 14.865 1.559 18.402 1.00 0.00 H new ATOM 0 HE ARG A 868 17.601 1.445 17.178 1.00 0.00 H new ATOM 0 HH11 ARG A 868 15.475 1.550 20.004 1.00 0.00 H new ATOM 0 HH12 ARG A 868 16.779 1.181 21.138 1.00 0.00 H new ATOM 0 HH21 ARG A 868 19.263 0.960 18.645 1.00 0.00 H new ATOM 0 HH22 ARG A 868 18.912 0.849 20.373 1.00 0.00 H new ATOM 1451 N GLU A 869 16.912 -1.430 16.061 1.00 0.00 N ATOM 1452 CA GLU A 869 17.466 -2.174 17.162 1.00 0.00 C ATOM 1453 C GLU A 869 18.571 -3.114 16.686 1.00 0.00 C ATOM 1454 O GLU A 869 19.340 -3.639 17.491 1.00 0.00 O ATOM 1455 CB GLU A 869 16.329 -2.941 17.817 1.00 0.00 C ATOM 1456 CG GLU A 869 16.500 -3.142 19.298 1.00 0.00 C ATOM 1457 CD GLU A 869 15.375 -2.527 20.109 1.00 0.00 C ATOM 1458 OE1 GLU A 869 15.019 -1.360 19.857 1.00 0.00 O ATOM 1459 OE2 GLU A 869 14.838 -3.209 21.009 1.00 0.00 O ATOM 0 H GLU A 869 16.049 -1.825 15.688 1.00 0.00 H new ATOM 0 HA GLU A 869 17.924 -1.499 17.885 1.00 0.00 H new ATOM 0 HB2 GLU A 869 15.395 -2.408 17.638 1.00 0.00 H new ATOM 0 HB3 GLU A 869 16.237 -3.915 17.337 1.00 0.00 H new ATOM 0 HG2 GLU A 869 16.554 -4.210 19.511 1.00 0.00 H new ATOM 0 HG3 GLU A 869 17.448 -2.706 19.612 1.00 0.00 H new ATOM 1466 N LYS A 870 18.647 -3.297 15.368 1.00 0.00 N ATOM 1467 CA LYS A 870 19.664 -4.136 14.735 1.00 0.00 C ATOM 1468 C LYS A 870 19.499 -5.602 15.132 1.00 0.00 C ATOM 1469 O LYS A 870 20.472 -6.288 15.448 1.00 0.00 O ATOM 1470 CB LYS A 870 21.075 -3.643 15.084 1.00 0.00 C ATOM 1471 CG LYS A 870 21.370 -2.238 14.588 1.00 0.00 C ATOM 1472 CD LYS A 870 22.253 -2.263 13.354 1.00 0.00 C ATOM 1473 CE LYS A 870 22.522 -0.862 12.831 1.00 0.00 C ATOM 1474 NZ LYS A 870 23.898 -0.396 13.150 1.00 0.00 N ATOM 0 H LYS A 870 18.002 -2.865 14.706 1.00 0.00 H new ATOM 0 HA LYS A 870 19.528 -4.060 13.656 1.00 0.00 H new ATOM 0 HB2 LYS A 870 21.203 -3.671 16.166 1.00 0.00 H new ATOM 0 HB3 LYS A 870 21.806 -4.330 14.658 1.00 0.00 H new ATOM 0 HG2 LYS A 870 20.435 -1.727 14.358 1.00 0.00 H new ATOM 0 HG3 LYS A 870 21.860 -1.667 15.377 1.00 0.00 H new ATOM 0 HD2 LYS A 870 23.198 -2.751 13.592 1.00 0.00 H new ATOM 0 HD3 LYS A 870 21.775 -2.857 12.575 1.00 0.00 H new ATOM 0 HE2 LYS A 870 22.376 -0.845 11.751 1.00 0.00 H new ATOM 0 HE3 LYS A 870 21.798 -0.170 13.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 870 24.035 0.564 12.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 870 24.031 -0.386 14.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 870 24.591 -1.040 12.718 1.00 0.00 H new ATOM 1488 N ASP A 871 18.263 -6.081 15.109 1.00 0.00 N ATOM 1489 CA ASP A 871 17.984 -7.481 15.411 1.00 0.00 C ATOM 1490 C ASP A 871 17.780 -8.267 14.131 1.00 0.00 C ATOM 1491 O ASP A 871 16.671 -8.328 13.600 1.00 0.00 O ATOM 1492 CB ASP A 871 16.748 -7.621 16.299 1.00 0.00 C ATOM 1493 CG ASP A 871 16.730 -8.941 17.046 1.00 0.00 C ATOM 1494 OD1 ASP A 871 17.482 -9.075 18.034 1.00 0.00 O ATOM 1495 OD2 ASP A 871 15.976 -9.856 16.647 1.00 0.00 O ATOM 0 H ASP A 871 17.438 -5.524 14.885 1.00 0.00 H new ATOM 0 HA ASP A 871 18.844 -7.880 15.949 1.00 0.00 H new ATOM 0 HB2 ASP A 871 16.721 -6.799 17.015 1.00 0.00 H new ATOM 0 HB3 ASP A 871 15.850 -7.539 15.686 1.00 0.00 H new ATOM 1500 N VAL A 872 18.860 -8.860 13.641 1.00 0.00 N ATOM 1501 CA VAL A 872 18.834 -9.632 12.401 1.00 0.00 C ATOM 1502 C VAL A 872 17.757 -10.726 12.430 1.00 0.00 C ATOM 1503 O VAL A 872 16.933 -10.790 11.516 1.00 0.00 O ATOM 1504 CB VAL A 872 20.206 -10.270 12.092 1.00 0.00 C ATOM 1505 CG1 VAL A 872 20.272 -10.732 10.645 1.00 0.00 C ATOM 1506 CG2 VAL A 872 21.334 -9.297 12.391 1.00 0.00 C ATOM 0 H VAL A 872 19.776 -8.821 14.088 1.00 0.00 H new ATOM 0 HA VAL A 872 18.591 -8.924 11.609 1.00 0.00 H new ATOM 0 HB VAL A 872 20.325 -11.141 12.737 1.00 0.00 H new ATOM 0 HG11 VAL A 872 21.247 -11.178 10.450 1.00 0.00 H new ATOM 0 HG12 VAL A 872 19.492 -11.471 10.463 1.00 0.00 H new ATOM 0 HG13 VAL A 872 20.124 -9.878 9.983 1.00 0.00 H new ATOM 0 HG21 VAL A 872 22.291 -9.769 12.166 1.00 0.00 H new ATOM 0 HG22 VAL A 872 21.216 -8.404 11.777 1.00 0.00 H new ATOM 0 HG23 VAL A 872 21.306 -9.020 13.445 1.00 0.00 H new ATOM 1516 N PRO A 873 17.736 -11.599 13.471 1.00 0.00 N ATOM 1517 CA PRO A 873 16.718 -12.656 13.589 1.00 0.00 C ATOM 1518 C PRO A 873 15.296 -12.106 13.524 1.00 0.00 C ATOM 1519 O PRO A 873 14.412 -12.714 12.916 1.00 0.00 O ATOM 1520 CB PRO A 873 16.987 -13.266 14.965 1.00 0.00 C ATOM 1521 CG PRO A 873 18.417 -12.973 15.242 1.00 0.00 C ATOM 1522 CD PRO A 873 18.701 -11.650 14.592 1.00 0.00 C ATOM 0 HA PRO A 873 16.786 -13.372 12.770 1.00 0.00 H new ATOM 0 HB2 PRO A 873 16.340 -12.827 15.725 1.00 0.00 H new ATOM 0 HB3 PRO A 873 16.797 -14.339 14.965 1.00 0.00 H new ATOM 0 HG2 PRO A 873 18.606 -12.929 16.315 1.00 0.00 H new ATOM 0 HG3 PRO A 873 19.061 -13.753 14.836 1.00 0.00 H new ATOM 0 HD2 PRO A 873 18.554 -10.822 15.286 1.00 0.00 H new ATOM 0 HD3 PRO A 873 19.730 -11.590 14.238 1.00 0.00 H new ATOM 1530 N GLY A 874 15.084 -10.957 14.155 1.00 0.00 N ATOM 1531 CA GLY A 874 13.789 -10.305 14.105 1.00 0.00 C ATOM 1532 C GLY A 874 13.410 -9.907 12.698 1.00 0.00 C ATOM 1533 O GLY A 874 12.254 -10.050 12.295 1.00 0.00 O ATOM 0 H GLY A 874 15.789 -10.464 14.703 1.00 0.00 H new ATOM 0 HA2 GLY A 874 13.030 -10.975 14.509 1.00 0.00 H new ATOM 0 HA3 GLY A 874 13.804 -9.420 14.741 1.00 0.00 H new ATOM 1537 N ILE A 875 14.389 -9.412 11.950 1.00 0.00 N ATOM 1538 CA ILE A 875 14.182 -9.031 10.558 1.00 0.00 C ATOM 1539 C ILE A 875 13.687 -10.221 9.737 1.00 0.00 C ATOM 1540 O ILE A 875 12.650 -10.136 9.077 1.00 0.00 O ATOM 1541 CB ILE A 875 15.475 -8.477 9.911 1.00 0.00 C ATOM 1542 CG1 ILE A 875 16.069 -7.348 10.758 1.00 0.00 C ATOM 1543 CG2 ILE A 875 15.200 -7.988 8.495 1.00 0.00 C ATOM 1544 CD1 ILE A 875 15.120 -6.192 10.994 1.00 0.00 C ATOM 0 H ILE A 875 15.340 -9.264 12.287 1.00 0.00 H new ATOM 0 HA ILE A 875 13.428 -8.244 10.558 1.00 0.00 H new ATOM 0 HB ILE A 875 16.202 -9.288 9.863 1.00 0.00 H new ATOM 0 HG12 ILE A 875 16.378 -7.754 11.721 1.00 0.00 H new ATOM 0 HG13 ILE A 875 16.967 -6.973 10.267 1.00 0.00 H new ATOM 0 HG21 ILE A 875 16.121 -7.603 8.058 1.00 0.00 H new ATOM 0 HG22 ILE A 875 14.830 -8.815 7.890 1.00 0.00 H new ATOM 0 HG23 ILE A 875 14.452 -7.195 8.523 1.00 0.00 H new ATOM 0 HD11 ILE A 875 15.614 -5.434 11.601 1.00 0.00 H new ATOM 0 HD12 ILE A 875 14.830 -5.758 10.037 1.00 0.00 H new ATOM 0 HD13 ILE A 875 14.232 -6.551 11.514 1.00 0.00 H new ATOM 1556 N GLU A 876 14.413 -11.335 9.799 1.00 0.00 N ATOM 1557 CA GLU A 876 14.051 -12.525 9.025 1.00 0.00 C ATOM 1558 C GLU A 876 12.664 -13.026 9.415 1.00 0.00 C ATOM 1559 O GLU A 876 11.883 -13.442 8.557 1.00 0.00 O ATOM 1560 CB GLU A 876 15.070 -13.655 9.216 1.00 0.00 C ATOM 1561 CG GLU A 876 16.328 -13.239 9.952 1.00 0.00 C ATOM 1562 CD GLU A 876 17.363 -14.339 10.009 1.00 0.00 C ATOM 1563 OE1 GLU A 876 17.923 -14.689 8.953 1.00 0.00 O ATOM 1564 OE2 GLU A 876 17.627 -14.859 11.114 1.00 0.00 O ATOM 0 H GLU A 876 15.250 -11.441 10.372 1.00 0.00 H new ATOM 0 HA GLU A 876 14.048 -12.233 7.975 1.00 0.00 H new ATOM 0 HB2 GLU A 876 14.595 -14.469 9.763 1.00 0.00 H new ATOM 0 HB3 GLU A 876 15.348 -14.048 8.238 1.00 0.00 H new ATOM 0 HG2 GLU A 876 16.759 -12.366 9.462 1.00 0.00 H new ATOM 0 HG3 GLU A 876 16.067 -12.938 10.967 1.00 0.00 H new ATOM 1571 N LYS A 877 12.368 -12.974 10.707 1.00 0.00 N ATOM 1572 CA LYS A 877 11.084 -13.429 11.224 1.00 0.00 C ATOM 1573 C LYS A 877 9.943 -12.542 10.727 1.00 0.00 C ATOM 1574 O LYS A 877 8.899 -13.033 10.308 1.00 0.00 O ATOM 1575 CB LYS A 877 11.108 -13.449 12.753 1.00 0.00 C ATOM 1576 CG LYS A 877 9.730 -13.492 13.394 1.00 0.00 C ATOM 1577 CD LYS A 877 8.999 -14.786 13.081 1.00 0.00 C ATOM 1578 CE LYS A 877 8.129 -15.223 14.247 1.00 0.00 C ATOM 1579 NZ LYS A 877 6.786 -14.583 14.215 1.00 0.00 N ATOM 0 H LYS A 877 13.005 -12.619 11.420 1.00 0.00 H new ATOM 0 HA LYS A 877 10.911 -14.440 10.856 1.00 0.00 H new ATOM 0 HB2 LYS A 877 11.679 -14.316 13.086 1.00 0.00 H new ATOM 0 HB3 LYS A 877 11.635 -12.564 13.109 1.00 0.00 H new ATOM 0 HG2 LYS A 877 9.829 -13.383 14.474 1.00 0.00 H new ATOM 0 HG3 LYS A 877 9.139 -12.647 13.041 1.00 0.00 H new ATOM 0 HD2 LYS A 877 8.381 -14.652 12.193 1.00 0.00 H new ATOM 0 HD3 LYS A 877 9.722 -15.568 12.850 1.00 0.00 H new ATOM 0 HE2 LYS A 877 8.014 -16.307 14.227 1.00 0.00 H new ATOM 0 HE3 LYS A 877 8.627 -14.973 15.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 877 6.729 -13.859 14.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 877 6.636 -14.138 13.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 877 6.054 -15.304 14.376 1.00 0.00 H new ATOM 1593 N TYR A 878 10.149 -11.239 10.760 1.00 0.00 N ATOM 1594 CA TYR A 878 9.095 -10.313 10.382 1.00 0.00 C ATOM 1595 C TYR A 878 8.911 -10.271 8.870 1.00 0.00 C ATOM 1596 O TYR A 878 7.798 -10.084 8.385 1.00 0.00 O ATOM 1597 CB TYR A 878 9.370 -8.922 10.944 1.00 0.00 C ATOM 1598 CG TYR A 878 8.580 -8.640 12.202 1.00 0.00 C ATOM 1599 CD1 TYR A 878 8.834 -9.342 13.374 1.00 0.00 C ATOM 1600 CD2 TYR A 878 7.567 -7.691 12.213 1.00 0.00 C ATOM 1601 CE1 TYR A 878 8.105 -9.102 14.520 1.00 0.00 C ATOM 1602 CE2 TYR A 878 6.831 -7.449 13.356 1.00 0.00 C ATOM 1603 CZ TYR A 878 7.106 -8.158 14.507 1.00 0.00 C ATOM 1604 OH TYR A 878 6.375 -7.926 15.647 1.00 0.00 O ATOM 0 H TYR A 878 11.026 -10.800 11.041 1.00 0.00 H new ATOM 0 HA TYR A 878 8.161 -10.673 10.815 1.00 0.00 H new ATOM 0 HB2 TYR A 878 10.434 -8.824 11.157 1.00 0.00 H new ATOM 0 HB3 TYR A 878 9.126 -8.174 10.190 1.00 0.00 H new ATOM 0 HD1 TYR A 878 9.615 -10.088 13.388 1.00 0.00 H new ATOM 0 HD2 TYR A 878 7.351 -7.133 11.314 1.00 0.00 H new ATOM 0 HE1 TYR A 878 8.318 -9.653 15.424 1.00 0.00 H new ATOM 0 HE2 TYR A 878 6.045 -6.709 13.349 1.00 0.00 H new ATOM 0 HH TYR A 878 6.931 -8.104 16.434 1.00 0.00 H new ATOM 1614 N ILE A 879 9.990 -10.458 8.121 1.00 0.00 N ATOM 1615 CA ILE A 879 9.886 -10.521 6.670 1.00 0.00 C ATOM 1616 C ILE A 879 9.125 -11.778 6.248 1.00 0.00 C ATOM 1617 O ILE A 879 8.311 -11.737 5.329 1.00 0.00 O ATOM 1618 CB ILE A 879 11.267 -10.486 5.978 1.00 0.00 C ATOM 1619 CG1 ILE A 879 11.945 -9.134 6.213 1.00 0.00 C ATOM 1620 CG2 ILE A 879 11.125 -10.754 4.482 1.00 0.00 C ATOM 1621 CD1 ILE A 879 13.327 -9.033 5.603 1.00 0.00 C ATOM 0 H ILE A 879 10.935 -10.567 8.488 1.00 0.00 H new ATOM 0 HA ILE A 879 9.338 -9.635 6.350 1.00 0.00 H new ATOM 0 HB ILE A 879 11.889 -11.269 6.411 1.00 0.00 H new ATOM 0 HG12 ILE A 879 11.316 -8.345 5.800 1.00 0.00 H new ATOM 0 HG13 ILE A 879 12.017 -8.955 7.286 1.00 0.00 H new ATOM 0 HG21 ILE A 879 12.108 -10.725 4.012 1.00 0.00 H new ATOM 0 HG22 ILE A 879 10.678 -11.737 4.329 1.00 0.00 H new ATOM 0 HG23 ILE A 879 10.487 -9.992 4.035 1.00 0.00 H new ATOM 0 HD11 ILE A 879 13.745 -8.048 5.810 1.00 0.00 H new ATOM 0 HD12 ILE A 879 13.972 -9.799 6.034 1.00 0.00 H new ATOM 0 HD13 ILE A 879 13.260 -9.180 4.525 1.00 0.00 H new ATOM 1633 N SER A 880 9.369 -12.894 6.936 1.00 0.00 N ATOM 1634 CA SER A 880 8.643 -14.125 6.642 1.00 0.00 C ATOM 1635 C SER A 880 7.186 -13.997 7.079 1.00 0.00 C ATOM 1636 O SER A 880 6.297 -14.586 6.474 1.00 0.00 O ATOM 1637 CB SER A 880 9.300 -15.330 7.320 1.00 0.00 C ATOM 1638 OG SER A 880 9.707 -15.019 8.639 1.00 0.00 O ATOM 0 H SER A 880 10.053 -12.969 7.689 1.00 0.00 H new ATOM 0 HA SER A 880 8.675 -14.287 5.565 1.00 0.00 H new ATOM 0 HB2 SER A 880 8.600 -16.165 7.341 1.00 0.00 H new ATOM 0 HB3 SER A 880 10.163 -15.652 6.737 1.00 0.00 H new ATOM 0 HG SER A 880 10.623 -14.671 8.625 1.00 0.00 H new ATOM 1644 N ASP A 881 6.953 -13.212 8.128 1.00 0.00 N ATOM 1645 CA ASP A 881 5.598 -12.937 8.597 1.00 0.00 C ATOM 1646 C ASP A 881 4.868 -12.034 7.609 1.00 0.00 C ATOM 1647 O ASP A 881 3.665 -12.169 7.394 1.00 0.00 O ATOM 1648 CB ASP A 881 5.629 -12.283 9.978 1.00 0.00 C ATOM 1649 CG ASP A 881 5.113 -13.206 11.061 1.00 0.00 C ATOM 1650 OD1 ASP A 881 4.031 -13.804 10.874 1.00 0.00 O ATOM 1651 OD2 ASP A 881 5.794 -13.349 12.099 1.00 0.00 O ATOM 0 H ASP A 881 7.686 -12.755 8.670 1.00 0.00 H new ATOM 0 HA ASP A 881 5.063 -13.884 8.672 1.00 0.00 H new ATOM 0 HB2 ASP A 881 6.651 -11.985 10.214 1.00 0.00 H new ATOM 0 HB3 ASP A 881 5.028 -11.374 9.961 1.00 0.00 H new ATOM 1656 N ILE A 882 5.608 -11.107 7.019 1.00 0.00 N ATOM 1657 CA ILE A 882 5.085 -10.270 5.951 1.00 0.00 C ATOM 1658 C ILE A 882 4.806 -11.124 4.711 1.00 0.00 C ATOM 1659 O ILE A 882 3.866 -10.866 3.956 1.00 0.00 O ATOM 1660 CB ILE A 882 6.052 -9.095 5.628 1.00 0.00 C ATOM 1661 CG1 ILE A 882 5.374 -7.763 5.943 1.00 0.00 C ATOM 1662 CG2 ILE A 882 6.523 -9.118 4.178 1.00 0.00 C ATOM 1663 CD1 ILE A 882 6.346 -6.624 6.146 1.00 0.00 C ATOM 0 H ILE A 882 6.579 -10.915 7.265 1.00 0.00 H new ATOM 0 HA ILE A 882 4.147 -9.826 6.283 1.00 0.00 H new ATOM 0 HB ILE A 882 6.936 -9.214 6.255 1.00 0.00 H new ATOM 0 HG12 ILE A 882 4.694 -7.509 5.130 1.00 0.00 H new ATOM 0 HG13 ILE A 882 4.767 -7.877 6.841 1.00 0.00 H new ATOM 0 HG21 ILE A 882 7.196 -8.279 4.001 1.00 0.00 H new ATOM 0 HG22 ILE A 882 7.049 -10.052 3.981 1.00 0.00 H new ATOM 0 HG23 ILE A 882 5.662 -9.039 3.514 1.00 0.00 H new ATOM 0 HD11 ILE A 882 5.795 -5.710 6.366 1.00 0.00 H new ATOM 0 HD12 ILE A 882 7.010 -6.856 6.979 1.00 0.00 H new ATOM 0 HD13 ILE A 882 6.936 -6.483 5.240 1.00 0.00 H new ATOM 1675 N ASP A 883 5.620 -12.159 4.528 1.00 0.00 N ATOM 1676 CA ASP A 883 5.497 -13.042 3.379 1.00 0.00 C ATOM 1677 C ASP A 883 4.283 -13.925 3.547 1.00 0.00 C ATOM 1678 O ASP A 883 3.479 -14.072 2.636 1.00 0.00 O ATOM 1679 CB ASP A 883 6.757 -13.897 3.231 1.00 0.00 C ATOM 1680 CG ASP A 883 6.515 -15.184 2.459 1.00 0.00 C ATOM 1681 OD1 ASP A 883 6.434 -15.132 1.217 1.00 0.00 O ATOM 1682 OD2 ASP A 883 6.417 -16.256 3.099 1.00 0.00 O ATOM 0 H ASP A 883 6.376 -12.406 5.167 1.00 0.00 H new ATOM 0 HA ASP A 883 5.380 -12.441 2.477 1.00 0.00 H new ATOM 0 HB2 ASP A 883 7.527 -13.315 2.724 1.00 0.00 H new ATOM 0 HB3 ASP A 883 7.142 -14.141 4.221 1.00 0.00 H new ATOM 1687 N SER A 884 4.141 -14.485 4.737 1.00 0.00 N ATOM 1688 CA SER A 884 2.996 -15.309 5.060 1.00 0.00 C ATOM 1689 C SER A 884 1.719 -14.473 5.018 1.00 0.00 C ATOM 1690 O SER A 884 0.642 -14.977 4.695 1.00 0.00 O ATOM 1691 CB SER A 884 3.196 -15.939 6.435 1.00 0.00 C ATOM 1692 OG SER A 884 3.648 -14.987 7.375 1.00 0.00 O ATOM 0 H SER A 884 4.812 -14.381 5.498 1.00 0.00 H new ATOM 0 HA SER A 884 2.899 -16.106 4.323 1.00 0.00 H new ATOM 0 HB2 SER A 884 2.257 -16.374 6.778 1.00 0.00 H new ATOM 0 HB3 SER A 884 3.917 -16.753 6.363 1.00 0.00 H new ATOM 0 HG SER A 884 3.374 -14.090 7.090 1.00 0.00 H new ATOM 1698 N TYR A 885 1.859 -13.189 5.333 1.00 0.00 N ATOM 1699 CA TYR A 885 0.754 -12.238 5.232 1.00 0.00 C ATOM 1700 C TYR A 885 0.267 -12.169 3.798 1.00 0.00 C ATOM 1701 O TYR A 885 -0.890 -12.458 3.486 1.00 0.00 O ATOM 1702 CB TYR A 885 1.227 -10.843 5.649 1.00 0.00 C ATOM 1703 CG TYR A 885 0.110 -9.862 5.932 1.00 0.00 C ATOM 1704 CD1 TYR A 885 -0.775 -10.059 6.984 1.00 0.00 C ATOM 1705 CD2 TYR A 885 -0.058 -8.735 5.138 1.00 0.00 C ATOM 1706 CE1 TYR A 885 -1.796 -9.160 7.234 1.00 0.00 C ATOM 1707 CE2 TYR A 885 -1.074 -7.833 5.382 1.00 0.00 C ATOM 1708 CZ TYR A 885 -1.940 -8.049 6.429 1.00 0.00 C ATOM 1709 OH TYR A 885 -2.953 -7.149 6.670 1.00 0.00 O ATOM 0 H TYR A 885 2.733 -12.780 5.663 1.00 0.00 H new ATOM 0 HA TYR A 885 -0.052 -12.570 5.887 1.00 0.00 H new ATOM 0 HB2 TYR A 885 1.848 -10.935 6.540 1.00 0.00 H new ATOM 0 HB3 TYR A 885 1.860 -10.436 4.860 1.00 0.00 H new ATOM 0 HD1 TYR A 885 -0.664 -10.927 7.617 1.00 0.00 H new ATOM 0 HD2 TYR A 885 0.619 -8.561 4.314 1.00 0.00 H new ATOM 0 HE1 TYR A 885 -2.477 -9.327 8.055 1.00 0.00 H new ATOM 0 HE2 TYR A 885 -1.189 -6.962 4.754 1.00 0.00 H new ATOM 0 HH TYR A 885 -2.632 -6.240 6.493 1.00 0.00 H new ATOM 1719 N VAL A 886 1.196 -11.820 2.933 1.00 0.00 N ATOM 1720 CA VAL A 886 0.921 -11.641 1.529 1.00 0.00 C ATOM 1721 C VAL A 886 0.546 -12.977 0.884 1.00 0.00 C ATOM 1722 O VAL A 886 -0.329 -13.030 0.027 1.00 0.00 O ATOM 1723 CB VAL A 886 2.147 -10.977 0.855 1.00 0.00 C ATOM 1724 CG1 VAL A 886 2.781 -11.851 -0.218 1.00 0.00 C ATOM 1725 CG2 VAL A 886 1.763 -9.625 0.278 1.00 0.00 C ATOM 0 H VAL A 886 2.169 -11.652 3.189 1.00 0.00 H new ATOM 0 HA VAL A 886 0.065 -10.981 1.393 1.00 0.00 H new ATOM 0 HB VAL A 886 2.899 -10.842 1.633 1.00 0.00 H new ATOM 0 HG11 VAL A 886 3.635 -11.331 -0.653 1.00 0.00 H new ATOM 0 HG12 VAL A 886 3.115 -12.788 0.227 1.00 0.00 H new ATOM 0 HG13 VAL A 886 2.048 -12.060 -0.997 1.00 0.00 H new ATOM 0 HG21 VAL A 886 2.634 -9.170 -0.193 1.00 0.00 H new ATOM 0 HG22 VAL A 886 0.976 -9.757 -0.465 1.00 0.00 H new ATOM 0 HG23 VAL A 886 1.402 -8.977 1.077 1.00 0.00 H new ATOM 1735 N LYS A 887 1.182 -14.048 1.347 1.00 0.00 N ATOM 1736 CA LYS A 887 0.881 -15.401 0.896 1.00 0.00 C ATOM 1737 C LYS A 887 -0.595 -15.725 1.076 1.00 0.00 C ATOM 1738 O LYS A 887 -1.239 -16.241 0.168 1.00 0.00 O ATOM 1739 CB LYS A 887 1.716 -16.403 1.690 1.00 0.00 C ATOM 1740 CG LYS A 887 2.315 -17.507 0.844 1.00 0.00 C ATOM 1741 CD LYS A 887 3.042 -18.525 1.705 1.00 0.00 C ATOM 1742 CE LYS A 887 2.087 -19.567 2.266 1.00 0.00 C ATOM 1743 NZ LYS A 887 2.079 -20.807 1.446 1.00 0.00 N ATOM 0 H LYS A 887 1.922 -14.002 2.047 1.00 0.00 H new ATOM 0 HA LYS A 887 1.123 -15.467 -0.165 1.00 0.00 H new ATOM 0 HB2 LYS A 887 2.520 -15.870 2.197 1.00 0.00 H new ATOM 0 HB3 LYS A 887 1.092 -16.849 2.464 1.00 0.00 H new ATOM 0 HG2 LYS A 887 1.527 -18.003 0.277 1.00 0.00 H new ATOM 0 HG3 LYS A 887 3.008 -17.079 0.119 1.00 0.00 H new ATOM 0 HD2 LYS A 887 3.813 -19.018 1.113 1.00 0.00 H new ATOM 0 HD3 LYS A 887 3.547 -18.015 2.525 1.00 0.00 H new ATOM 0 HE2 LYS A 887 2.374 -19.810 3.289 1.00 0.00 H new ATOM 0 HE3 LYS A 887 1.080 -19.152 2.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 887 1.416 -21.493 1.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 887 1.781 -20.580 0.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 887 3.035 -21.217 1.427 1.00 0.00 H new ATOM 1757 N SER A 888 -1.121 -15.423 2.256 1.00 0.00 N ATOM 1758 CA SER A 888 -2.520 -15.685 2.555 1.00 0.00 C ATOM 1759 C SER A 888 -3.430 -14.736 1.780 1.00 0.00 C ATOM 1760 O SER A 888 -4.548 -15.098 1.412 1.00 0.00 O ATOM 1761 CB SER A 888 -2.771 -15.552 4.060 1.00 0.00 C ATOM 1762 OG SER A 888 -1.729 -16.167 4.802 1.00 0.00 O ATOM 0 H SER A 888 -0.598 -14.996 3.021 1.00 0.00 H new ATOM 0 HA SER A 888 -2.751 -16.704 2.246 1.00 0.00 H new ATOM 0 HB2 SER A 888 -2.842 -14.498 4.329 1.00 0.00 H new ATOM 0 HB3 SER A 888 -3.726 -16.012 4.316 1.00 0.00 H new ATOM 0 HG SER A 888 -0.993 -15.531 4.921 1.00 0.00 H new ATOM 1768 N LEU A 889 -2.938 -13.527 1.530 1.00 0.00 N ATOM 1769 CA LEU A 889 -3.711 -12.513 0.826 1.00 0.00 C ATOM 1770 C LEU A 889 -3.903 -12.865 -0.652 1.00 0.00 C ATOM 1771 O LEU A 889 -5.034 -12.884 -1.139 1.00 0.00 O ATOM 1772 CB LEU A 889 -3.042 -11.146 0.966 1.00 0.00 C ATOM 1773 CG LEU A 889 -3.233 -10.473 2.328 1.00 0.00 C ATOM 1774 CD1 LEU A 889 -2.509 -9.139 2.369 1.00 0.00 C ATOM 1775 CD2 LEU A 889 -4.712 -10.283 2.633 1.00 0.00 C ATOM 0 H LEU A 889 -2.003 -13.226 1.806 1.00 0.00 H new ATOM 0 HA LEU A 889 -4.700 -12.476 1.284 1.00 0.00 H new ATOM 0 HB2 LEU A 889 -1.974 -11.259 0.779 1.00 0.00 H new ATOM 0 HB3 LEU A 889 -3.433 -10.485 0.192 1.00 0.00 H new ATOM 0 HG LEU A 889 -2.806 -11.123 3.092 1.00 0.00 H new ATOM 0 HD11 LEU A 889 -2.656 -8.675 3.344 1.00 0.00 H new ATOM 0 HD12 LEU A 889 -1.444 -9.298 2.199 1.00 0.00 H new ATOM 0 HD13 LEU A 889 -2.907 -8.485 1.593 1.00 0.00 H new ATOM 0 HD21 LEU A 889 -4.824 -9.803 3.605 1.00 0.00 H new ATOM 0 HD22 LEU A 889 -5.164 -9.656 1.865 1.00 0.00 H new ATOM 0 HD23 LEU A 889 -5.208 -11.253 2.648 1.00 0.00 H new ATOM 1787 N LEU A 890 -2.812 -13.145 -1.359 1.00 0.00 N ATOM 1788 CA LEU A 890 -2.897 -13.466 -2.784 1.00 0.00 C ATOM 1789 C LEU A 890 -2.886 -14.979 -3.001 1.00 0.00 C ATOM 1790 O LEU A 890 -3.613 -15.686 -2.276 1.00 0.00 O ATOM 1791 CB LEU A 890 -1.760 -12.803 -3.582 1.00 0.00 C ATOM 1792 CG LEU A 890 -0.430 -12.629 -2.843 1.00 0.00 C ATOM 1793 CD1 LEU A 890 0.528 -13.758 -3.188 1.00 0.00 C ATOM 1794 CD2 LEU A 890 0.196 -11.283 -3.178 1.00 0.00 C ATOM 1795 OXT LEU A 890 -2.167 -15.454 -3.904 1.00 0.00 O ATOM 0 H LEU A 890 -1.867 -13.157 -0.975 1.00 0.00 H new ATOM 0 HA LEU A 890 -3.842 -13.067 -3.152 1.00 0.00 H new ATOM 0 HB2 LEU A 890 -1.579 -13.396 -4.479 1.00 0.00 H new ATOM 0 HB3 LEU A 890 -2.100 -11.821 -3.912 1.00 0.00 H new ATOM 0 HG LEU A 890 -0.629 -12.662 -1.772 1.00 0.00 H new ATOM 0 HD11 LEU A 890 1.467 -13.615 -2.653 1.00 0.00 H new ATOM 0 HD12 LEU A 890 0.086 -14.711 -2.898 1.00 0.00 H new ATOM 0 HD13 LEU A 890 0.719 -13.758 -4.261 1.00 0.00 H new ATOM 0 HD21 LEU A 890 1.140 -11.178 -2.644 1.00 0.00 H new ATOM 0 HD22 LEU A 890 0.378 -11.223 -4.251 1.00 0.00 H new ATOM 0 HD23 LEU A 890 -0.481 -10.483 -2.880 1.00 0.00 H new