USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=21 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 826 TYR OH : rot 74:sc= 1.16 USER MOD Set 1.2: A 880 SER OG : rot 78:sc= 1.91 USER MOD Single : A 802 ASN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 804 GLN : amide:sc= -0.477 X(o=-0.48,f=-0.66) USER MOD Single : A 806 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 808 SER OG : rot -70:sc= 0.279 USER MOD Single : A 810 TYR OH : rot 180:sc= 0 USER MOD Single : A 811 TYR OH : rot 180:sc= 0 USER MOD Single : A 817 THR OG1 : rot -57:sc= 1.22 USER MOD Single : A 823 LYS NZ :NH3+ 150:sc= 1.26 (180deg=-0.263) USER MOD Single : A 827 THR OG1 : rot 67:sc= 1.08 USER MOD Single : A 831 THR OG1 : rot 78:sc= 1.22 USER MOD Single : A 832 SER OG : rot 180:sc= -0.0257 USER MOD Single : A 839 GLN : amide:sc= -0.085 X(o=-0.085,f=-0.13) USER MOD Single : A 840 THR OG1 : rot 75:sc= 1.02 USER MOD Single : A 842 HIS : no HD1:sc= -0.0962 X(o=-0.096,f=0) USER MOD Single : A 845 LYS NZ :NH3+ -107:sc= 2.18 (180deg=0.432) USER MOD Single : A 850 MET CE :methyl 175:sc= 0 (180deg=-0.0499) USER MOD Single : A 852 ASN : amide:sc= 0.467 X(o=0.47,f=0) USER MOD Single : A 857 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 858 GLN : amide:sc= -1.04 K(o=-1,f=-4.8!) USER MOD Single : A 860 CYS SG : rot 63:sc= -2.98! USER MOD Single : A 862 THR OG1 : rot 71:sc= 0.621 USER MOD Single : A 865 HIS : no HD1:sc= -0.964 K(o=-0.96,f=-0.021) USER MOD Single : A 870 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 877 LYS NZ :NH3+ 175:sc= 0.954 (180deg=0.608) USER MOD Single : A 878 TYR OH : rot 180:sc= 0 USER MOD Single : A 884 SER OG : rot -92:sc= 0.247 USER MOD Single : A 885 TYR OH : rot 30:sc= -0.172 USER MOD Single : A 887 LYS NZ :NH3+ -151:sc= 0.735 (180deg=-0.575!) USER MOD Single : A 888 SER OG : rot -83:sc= 1.32 USER MOD ----------------------------------------------------------------- ATOM 406 N ASN A 802 -8.949 -8.043 1.197 1.00 0.00 N ATOM 407 CA ASN A 802 -8.673 -8.388 -0.194 1.00 0.00 C ATOM 408 C ASN A 802 -9.732 -7.806 -1.123 1.00 0.00 C ATOM 409 O ASN A 802 -9.405 -7.233 -2.160 1.00 0.00 O ATOM 410 CB ASN A 802 -8.611 -9.909 -0.361 1.00 0.00 C ATOM 411 CG ASN A 802 -8.445 -10.334 -1.809 1.00 0.00 C ATOM 412 OD1 ASN A 802 -7.426 -10.058 -2.439 1.00 0.00 O ATOM 413 ND2 ASN A 802 -9.451 -11.001 -2.349 1.00 0.00 N ATOM 0 HA ASN A 802 -7.708 -7.959 -0.462 1.00 0.00 H new ATOM 0 HB2 ASN A 802 -7.780 -10.301 0.226 1.00 0.00 H new ATOM 0 HB3 ASN A 802 -9.522 -10.352 0.041 1.00 0.00 H new ATOM 0 HD21 ASN A 802 -9.398 -11.305 -3.321 1.00 0.00 H new ATOM 0 HD22 ASN A 802 -10.280 -11.211 -1.793 1.00 0.00 H new ATOM 420 N ALA A 803 -10.999 -7.950 -0.743 1.00 0.00 N ATOM 421 CA ALA A 803 -12.104 -7.394 -1.521 1.00 0.00 C ATOM 422 C ALA A 803 -11.970 -5.881 -1.653 1.00 0.00 C ATOM 423 O ALA A 803 -12.172 -5.321 -2.729 1.00 0.00 O ATOM 424 CB ALA A 803 -13.439 -7.747 -0.881 1.00 0.00 C ATOM 0 H ALA A 803 -11.287 -8.447 0.100 1.00 0.00 H new ATOM 0 HA ALA A 803 -12.066 -7.832 -2.519 1.00 0.00 H new ATOM 0 HB1 ALA A 803 -14.250 -7.324 -1.474 1.00 0.00 H new ATOM 0 HB2 ALA A 803 -13.547 -8.831 -0.839 1.00 0.00 H new ATOM 0 HB3 ALA A 803 -13.478 -7.339 0.129 1.00 0.00 H new ATOM 430 N GLN A 804 -11.605 -5.231 -0.556 1.00 0.00 N ATOM 431 CA GLN A 804 -11.468 -3.780 -0.533 1.00 0.00 C ATOM 432 C GLN A 804 -10.298 -3.331 -1.403 1.00 0.00 C ATOM 433 O GLN A 804 -10.417 -2.392 -2.194 1.00 0.00 O ATOM 434 CB GLN A 804 -11.276 -3.295 0.907 1.00 0.00 C ATOM 435 CG GLN A 804 -12.535 -2.720 1.541 1.00 0.00 C ATOM 436 CD GLN A 804 -13.813 -3.296 0.957 1.00 0.00 C ATOM 437 OE1 GLN A 804 -14.436 -2.693 0.087 1.00 0.00 O ATOM 438 NE2 GLN A 804 -14.210 -4.465 1.435 1.00 0.00 N ATOM 0 H GLN A 804 -11.398 -5.687 0.333 1.00 0.00 H new ATOM 0 HA GLN A 804 -12.380 -3.341 -0.938 1.00 0.00 H new ATOM 0 HB2 GLN A 804 -10.923 -4.128 1.516 1.00 0.00 H new ATOM 0 HB3 GLN A 804 -10.495 -2.535 0.922 1.00 0.00 H new ATOM 0 HG2 GLN A 804 -12.514 -2.912 2.614 1.00 0.00 H new ATOM 0 HG3 GLN A 804 -12.539 -1.638 1.411 1.00 0.00 H new ATOM 0 HE21 GLN A 804 -13.663 -4.933 2.158 1.00 0.00 H new ATOM 0 HE22 GLN A 804 -15.063 -4.898 1.080 1.00 0.00 H new ATOM 447 N LEU A 805 -9.174 -4.022 -1.262 1.00 0.00 N ATOM 448 CA LEU A 805 -7.974 -3.712 -2.027 1.00 0.00 C ATOM 449 C LEU A 805 -8.170 -4.068 -3.504 1.00 0.00 C ATOM 450 O LEU A 805 -7.542 -3.482 -4.391 1.00 0.00 O ATOM 451 CB LEU A 805 -6.770 -4.451 -1.424 1.00 0.00 C ATOM 452 CG LEU A 805 -5.853 -5.165 -2.409 1.00 0.00 C ATOM 453 CD1 LEU A 805 -4.436 -4.637 -2.281 1.00 0.00 C ATOM 454 CD2 LEU A 805 -5.887 -6.668 -2.177 1.00 0.00 C ATOM 0 H LEU A 805 -9.069 -4.807 -0.619 1.00 0.00 H new ATOM 0 HA LEU A 805 -7.780 -2.641 -1.973 1.00 0.00 H new ATOM 0 HB2 LEU A 805 -6.174 -3.732 -0.861 1.00 0.00 H new ATOM 0 HB3 LEU A 805 -7.142 -5.185 -0.709 1.00 0.00 H new ATOM 0 HG LEU A 805 -6.207 -4.969 -3.421 1.00 0.00 H new ATOM 0 HD11 LEU A 805 -3.789 -5.155 -2.990 1.00 0.00 H new ATOM 0 HD12 LEU A 805 -4.425 -3.568 -2.494 1.00 0.00 H new ATOM 0 HD13 LEU A 805 -4.074 -4.809 -1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 805 -5.226 -7.161 -2.890 1.00 0.00 H new ATOM 0 HD22 LEU A 805 -5.555 -6.887 -1.162 1.00 0.00 H new ATOM 0 HD23 LEU A 805 -6.905 -7.034 -2.313 1.00 0.00 H new ATOM 466 N HIS A 806 -9.049 -5.029 -3.757 1.00 0.00 N ATOM 467 CA HIS A 806 -9.419 -5.392 -5.119 1.00 0.00 C ATOM 468 C HIS A 806 -10.251 -4.280 -5.742 1.00 0.00 C ATOM 469 O HIS A 806 -9.994 -3.851 -6.866 1.00 0.00 O ATOM 470 CB HIS A 806 -10.214 -6.701 -5.124 1.00 0.00 C ATOM 471 CG HIS A 806 -9.556 -7.816 -5.880 1.00 0.00 C ATOM 472 ND1 HIS A 806 -9.606 -7.929 -7.250 1.00 0.00 N ATOM 473 CD2 HIS A 806 -8.836 -8.876 -5.445 1.00 0.00 C ATOM 474 CE1 HIS A 806 -8.955 -9.011 -7.627 1.00 0.00 C ATOM 475 NE2 HIS A 806 -8.475 -9.606 -6.553 1.00 0.00 N ATOM 0 H HIS A 806 -9.520 -5.573 -3.034 1.00 0.00 H new ATOM 0 HA HIS A 806 -8.510 -5.532 -5.704 1.00 0.00 H new ATOM 0 HB2 HIS A 806 -10.374 -7.020 -4.094 1.00 0.00 H new ATOM 0 HB3 HIS A 806 -11.197 -6.514 -5.556 1.00 0.00 H new ATOM 0 HD2 HIS A 806 -8.591 -9.106 -4.419 1.00 0.00 H new ATOM 0 HE1 HIS A 806 -8.835 -9.353 -8.644 1.00 0.00 H new ATOM 0 HE2 HIS A 806 -7.926 -10.466 -6.545 1.00 0.00 H new ATOM 484 N ALA A 807 -11.228 -3.801 -4.982 1.00 0.00 N ATOM 485 CA ALA A 807 -12.146 -2.770 -5.453 1.00 0.00 C ATOM 486 C ALA A 807 -11.424 -1.463 -5.765 1.00 0.00 C ATOM 487 O ALA A 807 -11.782 -0.760 -6.712 1.00 0.00 O ATOM 488 CB ALA A 807 -13.240 -2.535 -4.426 1.00 0.00 C ATOM 0 H ALA A 807 -11.406 -4.113 -4.028 1.00 0.00 H new ATOM 0 HA ALA A 807 -12.593 -3.126 -6.381 1.00 0.00 H new ATOM 0 HB1 ALA A 807 -13.919 -1.763 -4.788 1.00 0.00 H new ATOM 0 HB2 ALA A 807 -13.794 -3.460 -4.266 1.00 0.00 H new ATOM 0 HB3 ALA A 807 -12.793 -2.213 -3.486 1.00 0.00 H new ATOM 494 N SER A 808 -10.408 -1.137 -4.975 1.00 0.00 N ATOM 495 CA SER A 808 -9.647 0.088 -5.183 1.00 0.00 C ATOM 496 C SER A 808 -8.730 -0.033 -6.401 1.00 0.00 C ATOM 497 O SER A 808 -8.173 0.959 -6.873 1.00 0.00 O ATOM 498 CB SER A 808 -8.822 0.407 -3.937 1.00 0.00 C ATOM 499 OG SER A 808 -8.508 -0.777 -3.226 1.00 0.00 O ATOM 0 H SER A 808 -10.093 -1.702 -4.187 1.00 0.00 H new ATOM 0 HA SER A 808 -10.351 0.899 -5.368 1.00 0.00 H new ATOM 0 HB2 SER A 808 -7.903 0.919 -4.225 1.00 0.00 H new ATOM 0 HB3 SER A 808 -9.377 1.088 -3.292 1.00 0.00 H new ATOM 0 HG SER A 808 -9.321 -1.137 -2.815 1.00 0.00 H new ATOM 505 N GLY A 809 -8.579 -1.254 -6.905 1.00 0.00 N ATOM 506 CA GLY A 809 -7.713 -1.492 -8.045 1.00 0.00 C ATOM 507 C GLY A 809 -6.251 -1.493 -7.654 1.00 0.00 C ATOM 508 O GLY A 809 -5.365 -1.370 -8.501 1.00 0.00 O ATOM 0 H GLY A 809 -9.044 -2.086 -6.542 1.00 0.00 H new ATOM 0 HA2 GLY A 809 -7.967 -2.449 -8.500 1.00 0.00 H new ATOM 0 HA3 GLY A 809 -7.886 -0.724 -8.799 1.00 0.00 H new ATOM 512 N TYR A 810 -5.998 -1.649 -6.365 1.00 0.00 N ATOM 513 CA TYR A 810 -4.643 -1.618 -5.850 1.00 0.00 C ATOM 514 C TYR A 810 -4.076 -3.027 -5.759 1.00 0.00 C ATOM 515 O TYR A 810 -2.893 -3.216 -5.478 1.00 0.00 O ATOM 516 CB TYR A 810 -4.611 -0.933 -4.484 1.00 0.00 C ATOM 517 CG TYR A 810 -4.751 0.572 -4.561 1.00 0.00 C ATOM 518 CD1 TYR A 810 -4.358 1.265 -5.697 1.00 0.00 C ATOM 519 CD2 TYR A 810 -5.285 1.293 -3.504 1.00 0.00 C ATOM 520 CE1 TYR A 810 -4.492 2.635 -5.779 1.00 0.00 C ATOM 521 CE2 TYR A 810 -5.422 2.665 -3.576 1.00 0.00 C ATOM 522 CZ TYR A 810 -5.026 3.330 -4.716 1.00 0.00 C ATOM 523 OH TYR A 810 -5.168 4.695 -4.795 1.00 0.00 O ATOM 0 H TYR A 810 -6.716 -1.799 -5.656 1.00 0.00 H new ATOM 0 HA TYR A 810 -4.021 -1.044 -6.537 1.00 0.00 H new ATOM 0 HB2 TYR A 810 -5.415 -1.334 -3.866 1.00 0.00 H new ATOM 0 HB3 TYR A 810 -3.673 -1.178 -3.985 1.00 0.00 H new ATOM 0 HD1 TYR A 810 -3.940 0.722 -6.532 1.00 0.00 H new ATOM 0 HD2 TYR A 810 -5.599 0.773 -2.611 1.00 0.00 H new ATOM 0 HE1 TYR A 810 -4.181 3.159 -6.670 1.00 0.00 H new ATOM 0 HE2 TYR A 810 -5.837 3.214 -2.744 1.00 0.00 H new ATOM 0 HH TYR A 810 -5.561 5.032 -3.963 1.00 0.00 H new ATOM 533 N TYR A 811 -4.925 -4.014 -6.017 1.00 0.00 N ATOM 534 CA TYR A 811 -4.503 -5.409 -6.016 1.00 0.00 C ATOM 535 C TYR A 811 -3.397 -5.634 -7.047 1.00 0.00 C ATOM 536 O TYR A 811 -2.470 -6.413 -6.817 1.00 0.00 O ATOM 537 CB TYR A 811 -5.696 -6.321 -6.311 1.00 0.00 C ATOM 538 CG TYR A 811 -5.345 -7.792 -6.329 1.00 0.00 C ATOM 539 CD1 TYR A 811 -5.159 -8.496 -5.146 1.00 0.00 C ATOM 540 CD2 TYR A 811 -5.195 -8.473 -7.531 1.00 0.00 C ATOM 541 CE1 TYR A 811 -4.836 -9.839 -5.160 1.00 0.00 C ATOM 542 CE2 TYR A 811 -4.874 -9.814 -7.552 1.00 0.00 C ATOM 543 CZ TYR A 811 -4.694 -10.491 -6.367 1.00 0.00 C ATOM 544 OH TYR A 811 -4.374 -11.828 -6.391 1.00 0.00 O ATOM 0 H TYR A 811 -5.913 -3.874 -6.230 1.00 0.00 H new ATOM 0 HA TYR A 811 -4.110 -5.652 -5.029 1.00 0.00 H new ATOM 0 HB2 TYR A 811 -6.468 -6.150 -5.561 1.00 0.00 H new ATOM 0 HB3 TYR A 811 -6.123 -6.046 -7.276 1.00 0.00 H new ATOM 0 HD1 TYR A 811 -5.269 -7.985 -4.201 1.00 0.00 H new ATOM 0 HD2 TYR A 811 -5.332 -7.944 -8.463 1.00 0.00 H new ATOM 0 HE1 TYR A 811 -4.696 -10.374 -4.233 1.00 0.00 H new ATOM 0 HE2 TYR A 811 -4.764 -10.331 -8.494 1.00 0.00 H new ATOM 0 HH TYR A 811 -4.313 -12.133 -7.320 1.00 0.00 H new ATOM 554 N ALA A 812 -3.499 -4.935 -8.172 1.00 0.00 N ATOM 555 CA ALA A 812 -2.496 -5.014 -9.227 1.00 0.00 C ATOM 556 C ALA A 812 -1.122 -4.602 -8.713 1.00 0.00 C ATOM 557 O ALA A 812 -0.107 -5.181 -9.091 1.00 0.00 O ATOM 558 CB ALA A 812 -2.905 -4.147 -10.407 1.00 0.00 C ATOM 0 H ALA A 812 -4.273 -4.303 -8.377 1.00 0.00 H new ATOM 0 HA ALA A 812 -2.432 -6.051 -9.557 1.00 0.00 H new ATOM 0 HB1 ALA A 812 -2.148 -4.215 -11.188 1.00 0.00 H new ATOM 0 HB2 ALA A 812 -3.862 -4.493 -10.798 1.00 0.00 H new ATOM 0 HB3 ALA A 812 -2.999 -3.111 -10.082 1.00 0.00 H new ATOM 564 N LEU A 813 -1.097 -3.607 -7.838 1.00 0.00 N ATOM 565 CA LEU A 813 0.148 -3.152 -7.236 1.00 0.00 C ATOM 566 C LEU A 813 0.576 -4.103 -6.124 1.00 0.00 C ATOM 567 O LEU A 813 1.768 -4.336 -5.914 1.00 0.00 O ATOM 568 CB LEU A 813 -0.019 -1.741 -6.670 1.00 0.00 C ATOM 569 CG LEU A 813 -0.064 -0.619 -7.706 1.00 0.00 C ATOM 570 CD1 LEU A 813 -1.223 0.320 -7.418 1.00 0.00 C ATOM 571 CD2 LEU A 813 1.252 0.141 -7.719 1.00 0.00 C ATOM 0 H LEU A 813 -1.926 -3.099 -7.529 1.00 0.00 H new ATOM 0 HA LEU A 813 0.917 -3.136 -8.008 1.00 0.00 H new ATOM 0 HB2 LEU A 813 -0.938 -1.709 -6.085 1.00 0.00 H new ATOM 0 HB3 LEU A 813 0.803 -1.544 -5.982 1.00 0.00 H new ATOM 0 HG LEU A 813 -0.216 -1.059 -8.691 1.00 0.00 H new ATOM 0 HD11 LEU A 813 -1.242 1.114 -8.164 1.00 0.00 H new ATOM 0 HD12 LEU A 813 -2.160 -0.236 -7.456 1.00 0.00 H new ATOM 0 HD13 LEU A 813 -1.100 0.757 -6.427 1.00 0.00 H new ATOM 0 HD21 LEU A 813 1.205 0.937 -8.462 1.00 0.00 H new ATOM 0 HD22 LEU A 813 1.432 0.573 -6.735 1.00 0.00 H new ATOM 0 HD23 LEU A 813 2.064 -0.542 -7.970 1.00 0.00 H new ATOM 583 N PHE A 814 -0.414 -4.648 -5.424 1.00 0.00 N ATOM 584 CA PHE A 814 -0.181 -5.565 -4.316 1.00 0.00 C ATOM 585 C PHE A 814 0.626 -6.781 -4.759 1.00 0.00 C ATOM 586 O PHE A 814 1.662 -7.091 -4.178 1.00 0.00 O ATOM 587 CB PHE A 814 -1.520 -6.005 -3.716 1.00 0.00 C ATOM 588 CG PHE A 814 -1.406 -7.070 -2.664 1.00 0.00 C ATOM 589 CD1 PHE A 814 -0.753 -6.815 -1.471 1.00 0.00 C ATOM 590 CD2 PHE A 814 -1.957 -8.324 -2.868 1.00 0.00 C ATOM 591 CE1 PHE A 814 -0.647 -7.792 -0.501 1.00 0.00 C ATOM 592 CE2 PHE A 814 -1.854 -9.306 -1.902 1.00 0.00 C ATOM 593 CZ PHE A 814 -1.199 -9.039 -0.716 1.00 0.00 C ATOM 0 H PHE A 814 -1.400 -4.466 -5.610 1.00 0.00 H new ATOM 0 HA PHE A 814 0.400 -5.041 -3.557 1.00 0.00 H new ATOM 0 HB2 PHE A 814 -2.014 -5.135 -3.283 1.00 0.00 H new ATOM 0 HB3 PHE A 814 -2.162 -6.370 -4.518 1.00 0.00 H new ATOM 0 HD1 PHE A 814 -0.321 -5.841 -1.297 1.00 0.00 H new ATOM 0 HD2 PHE A 814 -2.473 -8.537 -3.793 1.00 0.00 H new ATOM 0 HE1 PHE A 814 -0.133 -7.581 0.425 1.00 0.00 H new ATOM 0 HE2 PHE A 814 -2.285 -10.281 -2.074 1.00 0.00 H new ATOM 0 HZ PHE A 814 -1.119 -9.804 0.042 1.00 0.00 H new ATOM 603 N VAL A 815 0.163 -7.459 -5.796 1.00 0.00 N ATOM 604 CA VAL A 815 0.838 -8.666 -6.256 1.00 0.00 C ATOM 605 C VAL A 815 2.069 -8.334 -7.090 1.00 0.00 C ATOM 606 O VAL A 815 2.866 -9.213 -7.413 1.00 0.00 O ATOM 607 CB VAL A 815 -0.098 -9.574 -7.079 1.00 0.00 C ATOM 608 CG1 VAL A 815 -1.108 -10.256 -6.174 1.00 0.00 C ATOM 609 CG2 VAL A 815 -0.801 -8.788 -8.177 1.00 0.00 C ATOM 0 H VAL A 815 -0.666 -7.201 -6.331 1.00 0.00 H new ATOM 0 HA VAL A 815 1.145 -9.202 -5.358 1.00 0.00 H new ATOM 0 HB VAL A 815 0.511 -10.341 -7.557 1.00 0.00 H new ATOM 0 HG11 VAL A 815 -1.760 -10.893 -6.772 1.00 0.00 H new ATOM 0 HG12 VAL A 815 -0.584 -10.864 -5.437 1.00 0.00 H new ATOM 0 HG13 VAL A 815 -1.706 -9.502 -5.663 1.00 0.00 H new ATOM 0 HG21 VAL A 815 -1.454 -9.454 -8.740 1.00 0.00 H new ATOM 0 HG22 VAL A 815 -1.395 -7.990 -7.730 1.00 0.00 H new ATOM 0 HG23 VAL A 815 -0.058 -8.356 -8.847 1.00 0.00 H new ATOM 619 N ASP A 816 2.226 -7.064 -7.421 1.00 0.00 N ATOM 620 CA ASP A 816 3.339 -6.628 -8.250 1.00 0.00 C ATOM 621 C ASP A 816 4.585 -6.367 -7.416 1.00 0.00 C ATOM 622 O ASP A 816 5.552 -7.127 -7.466 1.00 0.00 O ATOM 623 CB ASP A 816 2.972 -5.361 -9.018 1.00 0.00 C ATOM 624 CG ASP A 816 4.026 -4.974 -10.033 1.00 0.00 C ATOM 625 OD1 ASP A 816 4.106 -5.635 -11.090 1.00 0.00 O ATOM 626 OD2 ASP A 816 4.764 -3.999 -9.789 1.00 0.00 O ATOM 0 H ASP A 816 1.597 -6.316 -7.129 1.00 0.00 H new ATOM 0 HA ASP A 816 3.553 -7.432 -8.954 1.00 0.00 H new ATOM 0 HB2 ASP A 816 2.020 -5.511 -9.527 1.00 0.00 H new ATOM 0 HB3 ASP A 816 2.831 -4.541 -8.314 1.00 0.00 H new ATOM 631 N THR A 817 4.552 -5.301 -6.633 1.00 0.00 N ATOM 632 CA THR A 817 5.744 -4.849 -5.946 1.00 0.00 C ATOM 633 C THR A 817 5.909 -5.494 -4.570 1.00 0.00 C ATOM 634 O THR A 817 7.029 -5.751 -4.154 1.00 0.00 O ATOM 635 CB THR A 817 5.777 -3.304 -5.821 1.00 0.00 C ATOM 636 OG1 THR A 817 7.119 -2.850 -5.580 1.00 0.00 O ATOM 637 CG2 THR A 817 4.863 -2.805 -4.709 1.00 0.00 C ATOM 0 H THR A 817 3.719 -4.739 -6.460 1.00 0.00 H new ATOM 0 HA THR A 817 6.586 -5.167 -6.561 1.00 0.00 H new ATOM 0 HB THR A 817 5.416 -2.896 -6.765 1.00 0.00 H new ATOM 0 HG1 THR A 817 7.473 -3.287 -4.777 1.00 0.00 H new ATOM 0 HG21 THR A 817 4.916 -1.718 -4.655 1.00 0.00 H new ATOM 0 HG22 THR A 817 3.837 -3.109 -4.917 1.00 0.00 H new ATOM 0 HG23 THR A 817 5.181 -3.231 -3.758 1.00 0.00 H new ATOM 645 N VAL A 818 4.805 -5.801 -3.891 1.00 0.00 N ATOM 646 CA VAL A 818 4.869 -6.215 -2.487 1.00 0.00 C ATOM 647 C VAL A 818 5.656 -7.521 -2.284 1.00 0.00 C ATOM 648 O VAL A 818 6.607 -7.542 -1.506 1.00 0.00 O ATOM 649 CB VAL A 818 3.465 -6.337 -1.852 1.00 0.00 C ATOM 650 CG1 VAL A 818 3.570 -6.769 -0.399 1.00 0.00 C ATOM 651 CG2 VAL A 818 2.717 -5.015 -1.958 1.00 0.00 C ATOM 0 H VAL A 818 3.864 -5.772 -4.283 1.00 0.00 H new ATOM 0 HA VAL A 818 5.411 -5.420 -1.975 1.00 0.00 H new ATOM 0 HB VAL A 818 2.907 -7.098 -2.398 1.00 0.00 H new ATOM 0 HG11 VAL A 818 2.571 -6.849 0.030 1.00 0.00 H new ATOM 0 HG12 VAL A 818 4.068 -7.737 -0.342 1.00 0.00 H new ATOM 0 HG13 VAL A 818 4.146 -6.031 0.159 1.00 0.00 H new ATOM 0 HG21 VAL A 818 1.730 -5.118 -1.506 1.00 0.00 H new ATOM 0 HG22 VAL A 818 3.276 -4.238 -1.436 1.00 0.00 H new ATOM 0 HG23 VAL A 818 2.609 -4.741 -3.008 1.00 0.00 H new ATOM 661 N PRO A 819 5.300 -8.629 -2.971 1.00 0.00 N ATOM 662 CA PRO A 819 6.026 -9.897 -2.816 1.00 0.00 C ATOM 663 C PRO A 819 7.493 -9.765 -3.224 1.00 0.00 C ATOM 664 O PRO A 819 8.388 -10.314 -2.576 1.00 0.00 O ATOM 665 CB PRO A 819 5.290 -10.860 -3.755 1.00 0.00 C ATOM 666 CG PRO A 819 3.955 -10.237 -3.977 1.00 0.00 C ATOM 667 CD PRO A 819 4.184 -8.756 -3.923 1.00 0.00 C ATOM 0 HA PRO A 819 6.041 -10.235 -1.780 1.00 0.00 H new ATOM 0 HB2 PRO A 819 5.829 -10.984 -4.694 1.00 0.00 H new ATOM 0 HB3 PRO A 819 5.194 -11.850 -3.309 1.00 0.00 H new ATOM 0 HG2 PRO A 819 3.540 -10.534 -4.940 1.00 0.00 H new ATOM 0 HG3 PRO A 819 3.244 -10.551 -3.213 1.00 0.00 H new ATOM 0 HD2 PRO A 819 4.440 -8.351 -4.902 1.00 0.00 H new ATOM 0 HD3 PRO A 819 3.298 -8.223 -3.580 1.00 0.00 H new ATOM 675 N ASP A 820 7.734 -9.008 -4.285 1.00 0.00 N ATOM 676 CA ASP A 820 9.087 -8.800 -4.779 1.00 0.00 C ATOM 677 C ASP A 820 9.864 -7.888 -3.836 1.00 0.00 C ATOM 678 O ASP A 820 11.085 -7.991 -3.718 1.00 0.00 O ATOM 679 CB ASP A 820 9.059 -8.212 -6.192 1.00 0.00 C ATOM 680 CG ASP A 820 10.154 -8.780 -7.073 1.00 0.00 C ATOM 681 OD1 ASP A 820 10.008 -9.920 -7.560 1.00 0.00 O ATOM 682 OD2 ASP A 820 11.169 -8.088 -7.286 1.00 0.00 O ATOM 0 H ASP A 820 7.010 -8.528 -4.820 1.00 0.00 H new ATOM 0 HA ASP A 820 9.591 -9.766 -4.819 1.00 0.00 H new ATOM 0 HB2 ASP A 820 8.089 -8.412 -6.647 1.00 0.00 H new ATOM 0 HB3 ASP A 820 9.167 -7.129 -6.135 1.00 0.00 H new ATOM 687 N ASP A 821 9.147 -7.003 -3.155 1.00 0.00 N ATOM 688 CA ASP A 821 9.741 -6.131 -2.147 1.00 0.00 C ATOM 689 C ASP A 821 10.186 -6.963 -0.954 1.00 0.00 C ATOM 690 O ASP A 821 11.221 -6.701 -0.345 1.00 0.00 O ATOM 691 CB ASP A 821 8.737 -5.068 -1.694 1.00 0.00 C ATOM 692 CG ASP A 821 9.036 -3.696 -2.265 1.00 0.00 C ATOM 693 OD1 ASP A 821 9.840 -2.958 -1.662 1.00 0.00 O ATOM 694 OD2 ASP A 821 8.463 -3.348 -3.322 1.00 0.00 O ATOM 0 H ASP A 821 8.144 -6.869 -3.284 1.00 0.00 H new ATOM 0 HA ASP A 821 10.604 -5.627 -2.583 1.00 0.00 H new ATOM 0 HB2 ASP A 821 7.734 -5.371 -1.994 1.00 0.00 H new ATOM 0 HB3 ASP A 821 8.740 -5.012 -0.605 1.00 0.00 H new ATOM 699 N VAL A 822 9.392 -7.978 -0.630 1.00 0.00 N ATOM 700 CA VAL A 822 9.760 -8.939 0.402 1.00 0.00 C ATOM 701 C VAL A 822 11.042 -9.668 0.001 1.00 0.00 C ATOM 702 O VAL A 822 11.932 -9.888 0.826 1.00 0.00 O ATOM 703 CB VAL A 822 8.630 -9.964 0.653 1.00 0.00 C ATOM 704 CG1 VAL A 822 9.101 -11.092 1.559 1.00 0.00 C ATOM 705 CG2 VAL A 822 7.413 -9.273 1.247 1.00 0.00 C ATOM 0 H VAL A 822 8.488 -8.156 -1.068 1.00 0.00 H new ATOM 0 HA VAL A 822 9.926 -8.388 1.328 1.00 0.00 H new ATOM 0 HB VAL A 822 8.351 -10.402 -0.305 1.00 0.00 H new ATOM 0 HG11 VAL A 822 8.285 -11.797 1.717 1.00 0.00 H new ATOM 0 HG12 VAL A 822 9.940 -11.608 1.092 1.00 0.00 H new ATOM 0 HG13 VAL A 822 9.416 -10.681 2.518 1.00 0.00 H new ATOM 0 HG21 VAL A 822 6.625 -10.007 1.418 1.00 0.00 H new ATOM 0 HG22 VAL A 822 7.686 -8.806 2.193 1.00 0.00 H new ATOM 0 HG23 VAL A 822 7.054 -8.510 0.556 1.00 0.00 H new ATOM 715 N LYS A 823 11.131 -10.026 -1.278 1.00 0.00 N ATOM 716 CA LYS A 823 12.350 -10.614 -1.829 1.00 0.00 C ATOM 717 C LYS A 823 13.523 -9.647 -1.668 1.00 0.00 C ATOM 718 O LYS A 823 14.638 -10.052 -1.339 1.00 0.00 O ATOM 719 CB LYS A 823 12.159 -10.969 -3.308 1.00 0.00 C ATOM 720 CG LYS A 823 11.185 -12.110 -3.546 1.00 0.00 C ATOM 721 CD LYS A 823 11.584 -12.940 -4.756 1.00 0.00 C ATOM 722 CE LYS A 823 10.514 -12.901 -5.836 1.00 0.00 C ATOM 723 NZ LYS A 823 11.041 -12.367 -7.119 1.00 0.00 N ATOM 0 H LYS A 823 10.373 -9.919 -1.953 1.00 0.00 H new ATOM 0 HA LYS A 823 12.568 -11.530 -1.279 1.00 0.00 H new ATOM 0 HB2 LYS A 823 11.806 -10.086 -3.841 1.00 0.00 H new ATOM 0 HB3 LYS A 823 13.126 -11.234 -3.736 1.00 0.00 H new ATOM 0 HG2 LYS A 823 11.147 -12.748 -2.663 1.00 0.00 H new ATOM 0 HG3 LYS A 823 10.182 -11.709 -3.693 1.00 0.00 H new ATOM 0 HD2 LYS A 823 12.525 -12.566 -5.161 1.00 0.00 H new ATOM 0 HD3 LYS A 823 11.756 -13.972 -4.450 1.00 0.00 H new ATOM 0 HE2 LYS A 823 10.122 -13.905 -5.995 1.00 0.00 H new ATOM 0 HE3 LYS A 823 9.681 -12.283 -5.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 823 10.522 -12.795 -7.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 823 10.918 -11.335 -7.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 823 12.052 -12.597 -7.202 1.00 0.00 H new ATOM 737 N ARG A 824 13.251 -8.363 -1.888 1.00 0.00 N ATOM 738 CA ARG A 824 14.255 -7.321 -1.703 1.00 0.00 C ATOM 739 C ARG A 824 14.725 -7.296 -0.256 1.00 0.00 C ATOM 740 O ARG A 824 15.920 -7.240 0.008 1.00 0.00 O ATOM 741 CB ARG A 824 13.695 -5.952 -2.094 1.00 0.00 C ATOM 742 CG ARG A 824 14.231 -5.422 -3.412 1.00 0.00 C ATOM 743 CD ARG A 824 15.646 -4.887 -3.271 1.00 0.00 C ATOM 744 NE ARG A 824 16.496 -5.289 -4.393 1.00 0.00 N ATOM 745 CZ ARG A 824 17.827 -5.343 -4.338 1.00 0.00 C ATOM 746 NH1 ARG A 824 18.468 -4.966 -3.239 1.00 0.00 N ATOM 747 NH2 ARG A 824 18.524 -5.765 -5.384 1.00 0.00 N ATOM 0 H ARG A 824 12.341 -8.020 -2.195 1.00 0.00 H new ATOM 0 HA ARG A 824 15.103 -7.545 -2.350 1.00 0.00 H new ATOM 0 HB2 ARG A 824 12.609 -6.019 -2.155 1.00 0.00 H new ATOM 0 HB3 ARG A 824 13.927 -5.237 -1.305 1.00 0.00 H new ATOM 0 HG2 ARG A 824 14.216 -6.218 -4.157 1.00 0.00 H new ATOM 0 HG3 ARG A 824 13.578 -4.630 -3.778 1.00 0.00 H new ATOM 0 HD2 ARG A 824 15.618 -3.799 -3.208 1.00 0.00 H new ATOM 0 HD3 ARG A 824 16.080 -5.249 -2.339 1.00 0.00 H new ATOM 0 HE ARG A 824 16.042 -5.543 -5.270 1.00 0.00 H new ATOM 0 HH11 ARG A 824 17.942 -4.633 -2.431 1.00 0.00 H new ATOM 0 HH12 ARG A 824 19.486 -5.009 -3.202 1.00 0.00 H new ATOM 0 HH21 ARG A 824 18.042 -6.050 -6.236 1.00 0.00 H new ATOM 0 HH22 ARG A 824 19.542 -5.804 -5.336 1.00 0.00 H new ATOM 761 N LEU A 825 13.771 -7.355 0.676 1.00 0.00 N ATOM 762 CA LEU A 825 14.083 -7.415 2.102 1.00 0.00 C ATOM 763 C LEU A 825 15.065 -8.544 2.387 1.00 0.00 C ATOM 764 O LEU A 825 16.050 -8.359 3.099 1.00 0.00 O ATOM 765 CB LEU A 825 12.812 -7.635 2.927 1.00 0.00 C ATOM 766 CG LEU A 825 11.925 -6.406 3.119 1.00 0.00 C ATOM 767 CD1 LEU A 825 10.528 -6.824 3.544 1.00 0.00 C ATOM 768 CD2 LEU A 825 12.532 -5.461 4.145 1.00 0.00 C ATOM 0 H LEU A 825 12.773 -7.362 0.465 1.00 0.00 H new ATOM 0 HA LEU A 825 14.533 -6.463 2.384 1.00 0.00 H new ATOM 0 HB2 LEU A 825 12.221 -8.416 2.448 1.00 0.00 H new ATOM 0 HB3 LEU A 825 13.099 -8.010 3.909 1.00 0.00 H new ATOM 0 HG LEU A 825 11.856 -5.879 2.167 1.00 0.00 H new ATOM 0 HD11 LEU A 825 9.908 -5.938 3.677 1.00 0.00 H new ATOM 0 HD12 LEU A 825 10.090 -7.462 2.776 1.00 0.00 H new ATOM 0 HD13 LEU A 825 10.583 -7.373 4.484 1.00 0.00 H new ATOM 0 HD21 LEU A 825 11.885 -4.592 4.267 1.00 0.00 H new ATOM 0 HD22 LEU A 825 12.632 -5.976 5.100 1.00 0.00 H new ATOM 0 HD23 LEU A 825 13.515 -5.136 3.804 1.00 0.00 H new ATOM 780 N TYR A 826 14.788 -9.713 1.817 1.00 0.00 N ATOM 781 CA TYR A 826 15.658 -10.872 1.971 1.00 0.00 C ATOM 782 C TYR A 826 17.033 -10.602 1.362 1.00 0.00 C ATOM 783 O TYR A 826 18.055 -11.042 1.895 1.00 0.00 O ATOM 784 CB TYR A 826 15.027 -12.100 1.310 1.00 0.00 C ATOM 785 CG TYR A 826 14.390 -13.066 2.284 1.00 0.00 C ATOM 786 CD1 TYR A 826 14.935 -13.277 3.545 1.00 0.00 C ATOM 787 CD2 TYR A 826 13.247 -13.773 1.938 1.00 0.00 C ATOM 788 CE1 TYR A 826 14.358 -14.167 4.433 1.00 0.00 C ATOM 789 CE2 TYR A 826 12.665 -14.666 2.818 1.00 0.00 C ATOM 790 CZ TYR A 826 13.222 -14.858 4.065 1.00 0.00 C ATOM 791 OH TYR A 826 12.647 -15.753 4.940 1.00 0.00 O ATOM 0 H TYR A 826 13.963 -9.882 1.241 1.00 0.00 H new ATOM 0 HA TYR A 826 15.782 -11.065 3.037 1.00 0.00 H new ATOM 0 HB2 TYR A 826 14.272 -11.768 0.597 1.00 0.00 H new ATOM 0 HB3 TYR A 826 15.793 -12.627 0.741 1.00 0.00 H new ATOM 0 HD1 TYR A 826 15.824 -12.737 3.836 1.00 0.00 H new ATOM 0 HD2 TYR A 826 12.805 -13.623 0.964 1.00 0.00 H new ATOM 0 HE1 TYR A 826 14.794 -14.320 5.409 1.00 0.00 H new ATOM 0 HE2 TYR A 826 11.778 -15.211 2.530 1.00 0.00 H new ATOM 0 HH TYR A 826 12.188 -15.263 5.654 1.00 0.00 H new ATOM 801 N THR A 827 17.053 -9.867 0.257 1.00 0.00 N ATOM 802 CA THR A 827 18.297 -9.516 -0.415 1.00 0.00 C ATOM 803 C THR A 827 19.142 -8.590 0.461 1.00 0.00 C ATOM 804 O THR A 827 20.346 -8.801 0.629 1.00 0.00 O ATOM 805 CB THR A 827 18.022 -8.832 -1.772 1.00 0.00 C ATOM 806 OG1 THR A 827 17.077 -9.603 -2.527 1.00 0.00 O ATOM 807 CG2 THR A 827 19.304 -8.668 -2.578 1.00 0.00 C ATOM 0 H THR A 827 16.215 -9.500 -0.195 1.00 0.00 H new ATOM 0 HA THR A 827 18.846 -10.441 -0.593 1.00 0.00 H new ATOM 0 HB THR A 827 17.613 -7.842 -1.571 1.00 0.00 H new ATOM 0 HG1 THR A 827 16.205 -9.582 -2.079 1.00 0.00 H new ATOM 0 HG21 THR A 827 19.077 -8.184 -3.528 1.00 0.00 H new ATOM 0 HG22 THR A 827 20.010 -8.055 -2.018 1.00 0.00 H new ATOM 0 HG23 THR A 827 19.743 -9.648 -2.766 1.00 0.00 H new ATOM 815 N GLU A 828 18.505 -7.580 1.043 1.00 0.00 N ATOM 816 CA GLU A 828 19.207 -6.647 1.919 1.00 0.00 C ATOM 817 C GLU A 828 19.651 -7.358 3.191 1.00 0.00 C ATOM 818 O GLU A 828 20.713 -7.061 3.740 1.00 0.00 O ATOM 819 CB GLU A 828 18.326 -5.444 2.275 1.00 0.00 C ATOM 820 CG GLU A 828 17.449 -4.953 1.133 1.00 0.00 C ATOM 821 CD GLU A 828 18.239 -4.410 -0.044 1.00 0.00 C ATOM 822 OE1 GLU A 828 19.484 -4.515 -0.046 1.00 0.00 O ATOM 823 OE2 GLU A 828 17.616 -3.875 -0.986 1.00 0.00 O ATOM 0 H GLU A 828 17.510 -7.386 0.926 1.00 0.00 H new ATOM 0 HA GLU A 828 20.082 -6.279 1.384 1.00 0.00 H new ATOM 0 HB2 GLU A 828 17.689 -5.711 3.118 1.00 0.00 H new ATOM 0 HB3 GLU A 828 18.965 -4.625 2.605 1.00 0.00 H new ATOM 0 HG2 GLU A 828 16.819 -5.774 0.790 1.00 0.00 H new ATOM 0 HG3 GLU A 828 16.784 -4.174 1.505 1.00 0.00 H new ATOM 830 N ALA A 829 18.834 -8.304 3.646 1.00 0.00 N ATOM 831 CA ALA A 829 19.154 -9.102 4.825 1.00 0.00 C ATOM 832 C ALA A 829 20.401 -9.944 4.586 1.00 0.00 C ATOM 833 O ALA A 829 21.261 -10.056 5.458 1.00 0.00 O ATOM 834 CB ALA A 829 17.977 -9.992 5.200 1.00 0.00 C ATOM 0 H ALA A 829 17.940 -8.537 3.213 1.00 0.00 H new ATOM 0 HA ALA A 829 19.354 -8.422 5.653 1.00 0.00 H new ATOM 0 HB1 ALA A 829 18.232 -10.581 6.081 1.00 0.00 H new ATOM 0 HB2 ALA A 829 17.107 -9.372 5.417 1.00 0.00 H new ATOM 0 HB3 ALA A 829 17.748 -10.661 4.371 1.00 0.00 H new ATOM 840 N ALA A 830 20.500 -10.521 3.393 1.00 0.00 N ATOM 841 CA ALA A 830 21.662 -11.318 3.023 1.00 0.00 C ATOM 842 C ALA A 830 22.899 -10.435 2.888 1.00 0.00 C ATOM 843 O ALA A 830 24.026 -10.879 3.109 1.00 0.00 O ATOM 844 CB ALA A 830 21.401 -12.069 1.726 1.00 0.00 C ATOM 0 H ALA A 830 19.788 -10.451 2.666 1.00 0.00 H new ATOM 0 HA ALA A 830 21.844 -12.046 3.814 1.00 0.00 H new ATOM 0 HB1 ALA A 830 22.279 -12.659 1.464 1.00 0.00 H new ATOM 0 HB2 ALA A 830 20.544 -12.731 1.855 1.00 0.00 H new ATOM 0 HB3 ALA A 830 21.192 -11.356 0.928 1.00 0.00 H new ATOM 850 N THR A 831 22.678 -9.181 2.522 1.00 0.00 N ATOM 851 CA THR A 831 23.756 -8.208 2.414 1.00 0.00 C ATOM 852 C THR A 831 24.074 -7.592 3.784 1.00 0.00 C ATOM 853 O THR A 831 25.096 -6.922 3.957 1.00 0.00 O ATOM 854 CB THR A 831 23.377 -7.099 1.408 1.00 0.00 C ATOM 855 OG1 THR A 831 22.800 -7.687 0.230 1.00 0.00 O ATOM 856 CG2 THR A 831 24.589 -6.270 1.013 1.00 0.00 C ATOM 0 H THR A 831 21.755 -8.811 2.293 1.00 0.00 H new ATOM 0 HA THR A 831 24.646 -8.724 2.054 1.00 0.00 H new ATOM 0 HB THR A 831 22.653 -6.442 1.891 1.00 0.00 H new ATOM 0 HG1 THR A 831 21.870 -7.938 0.411 1.00 0.00 H new ATOM 0 HG21 THR A 831 24.287 -5.499 0.304 1.00 0.00 H new ATOM 0 HG22 THR A 831 25.014 -5.801 1.900 1.00 0.00 H new ATOM 0 HG23 THR A 831 25.336 -6.915 0.551 1.00 0.00 H new ATOM 864 N SER A 832 23.188 -7.839 4.754 1.00 0.00 N ATOM 865 CA SER A 832 23.310 -7.296 6.105 1.00 0.00 C ATOM 866 C SER A 832 23.247 -5.778 6.060 1.00 0.00 C ATOM 867 O SER A 832 23.758 -5.084 6.940 1.00 0.00 O ATOM 868 CB SER A 832 24.599 -7.777 6.782 1.00 0.00 C ATOM 869 OG SER A 832 24.993 -9.048 6.283 1.00 0.00 O ATOM 0 H SER A 832 22.363 -8.424 4.621 1.00 0.00 H new ATOM 0 HA SER A 832 22.475 -7.662 6.703 1.00 0.00 H new ATOM 0 HB2 SER A 832 25.396 -7.053 6.612 1.00 0.00 H new ATOM 0 HB3 SER A 832 24.447 -7.837 7.860 1.00 0.00 H new ATOM 0 HG SER A 832 25.818 -9.333 6.728 1.00 0.00 H new ATOM 875 N ASP A 833 22.598 -5.273 5.023 1.00 0.00 N ATOM 876 CA ASP A 833 22.452 -3.846 4.830 1.00 0.00 C ATOM 877 C ASP A 833 21.164 -3.382 5.476 1.00 0.00 C ATOM 878 O ASP A 833 20.152 -3.181 4.810 1.00 0.00 O ATOM 879 CB ASP A 833 22.454 -3.495 3.344 1.00 0.00 C ATOM 880 CG ASP A 833 22.876 -2.062 3.091 1.00 0.00 C ATOM 881 OD1 ASP A 833 22.407 -1.158 3.816 1.00 0.00 O ATOM 882 OD2 ASP A 833 23.688 -1.834 2.170 1.00 0.00 O ATOM 0 H ASP A 833 22.161 -5.841 4.297 1.00 0.00 H new ATOM 0 HA ASP A 833 23.297 -3.339 5.296 1.00 0.00 H new ATOM 0 HB2 ASP A 833 23.128 -4.169 2.815 1.00 0.00 H new ATOM 0 HB3 ASP A 833 21.457 -3.655 2.934 1.00 0.00 H new ATOM 887 N PHE A 834 21.206 -3.247 6.786 1.00 0.00 N ATOM 888 CA PHE A 834 20.042 -2.842 7.561 1.00 0.00 C ATOM 889 C PHE A 834 19.568 -1.443 7.179 1.00 0.00 C ATOM 890 O PHE A 834 18.403 -1.102 7.373 1.00 0.00 O ATOM 891 CB PHE A 834 20.348 -2.927 9.059 1.00 0.00 C ATOM 892 CG PHE A 834 21.022 -4.214 9.447 1.00 0.00 C ATOM 893 CD1 PHE A 834 20.383 -5.430 9.264 1.00 0.00 C ATOM 894 CD2 PHE A 834 22.298 -4.206 9.982 1.00 0.00 C ATOM 895 CE1 PHE A 834 21.007 -6.614 9.607 1.00 0.00 C ATOM 896 CE2 PHE A 834 22.927 -5.386 10.329 1.00 0.00 C ATOM 897 CZ PHE A 834 22.281 -6.591 10.141 1.00 0.00 C ATOM 0 H PHE A 834 22.043 -3.413 7.345 1.00 0.00 H new ATOM 0 HA PHE A 834 19.229 -3.530 7.330 1.00 0.00 H new ATOM 0 HB2 PHE A 834 20.985 -2.089 9.343 1.00 0.00 H new ATOM 0 HB3 PHE A 834 19.419 -2.825 9.621 1.00 0.00 H new ATOM 0 HD1 PHE A 834 19.386 -5.452 8.849 1.00 0.00 H new ATOM 0 HD2 PHE A 834 22.808 -3.266 10.130 1.00 0.00 H new ATOM 0 HE1 PHE A 834 20.500 -7.556 9.458 1.00 0.00 H new ATOM 0 HE2 PHE A 834 23.923 -5.366 10.747 1.00 0.00 H new ATOM 0 HZ PHE A 834 22.771 -7.515 10.411 1.00 0.00 H new ATOM 907 N ALA A 835 20.459 -0.643 6.613 1.00 0.00 N ATOM 908 CA ALA A 835 20.068 0.653 6.081 1.00 0.00 C ATOM 909 C ALA A 835 19.127 0.460 4.896 1.00 0.00 C ATOM 910 O ALA A 835 18.124 1.166 4.752 1.00 0.00 O ATOM 911 CB ALA A 835 21.291 1.461 5.673 1.00 0.00 C ATOM 0 H ALA A 835 21.449 -0.866 6.511 1.00 0.00 H new ATOM 0 HA ALA A 835 19.546 1.210 6.859 1.00 0.00 H new ATOM 0 HB1 ALA A 835 20.974 2.426 5.278 1.00 0.00 H new ATOM 0 HB2 ALA A 835 21.931 1.617 6.542 1.00 0.00 H new ATOM 0 HB3 ALA A 835 21.846 0.920 4.906 1.00 0.00 H new ATOM 917 N ALA A 836 19.437 -0.533 4.073 1.00 0.00 N ATOM 918 CA ALA A 836 18.607 -0.856 2.923 1.00 0.00 C ATOM 919 C ALA A 836 17.356 -1.596 3.375 1.00 0.00 C ATOM 920 O ALA A 836 16.287 -1.461 2.778 1.00 0.00 O ATOM 921 CB ALA A 836 19.393 -1.680 1.919 1.00 0.00 C ATOM 0 H ALA A 836 20.258 -1.128 4.182 1.00 0.00 H new ATOM 0 HA ALA A 836 18.301 0.069 2.434 1.00 0.00 H new ATOM 0 HB1 ALA A 836 18.759 -1.914 1.064 1.00 0.00 H new ATOM 0 HB2 ALA A 836 20.261 -1.113 1.582 1.00 0.00 H new ATOM 0 HB3 ALA A 836 19.725 -2.606 2.389 1.00 0.00 H new ATOM 927 N LEU A 837 17.504 -2.370 4.445 1.00 0.00 N ATOM 928 CA LEU A 837 16.381 -3.032 5.085 1.00 0.00 C ATOM 929 C LEU A 837 15.325 -2.003 5.468 1.00 0.00 C ATOM 930 O LEU A 837 14.148 -2.156 5.147 1.00 0.00 O ATOM 931 CB LEU A 837 16.855 -3.776 6.338 1.00 0.00 C ATOM 932 CG LEU A 837 16.864 -5.306 6.256 1.00 0.00 C ATOM 933 CD1 LEU A 837 16.008 -5.804 5.100 1.00 0.00 C ATOM 934 CD2 LEU A 837 18.290 -5.821 6.134 1.00 0.00 C ATOM 0 H LEU A 837 18.404 -2.553 4.889 1.00 0.00 H new ATOM 0 HA LEU A 837 15.949 -3.749 4.387 1.00 0.00 H new ATOM 0 HB2 LEU A 837 17.865 -3.440 6.574 1.00 0.00 H new ATOM 0 HB3 LEU A 837 16.218 -3.482 7.172 1.00 0.00 H new ATOM 0 HG LEU A 837 16.431 -5.696 7.177 1.00 0.00 H new ATOM 0 HD11 LEU A 837 16.036 -6.893 5.070 1.00 0.00 H new ATOM 0 HD12 LEU A 837 14.979 -5.471 5.239 1.00 0.00 H new ATOM 0 HD13 LEU A 837 16.395 -5.405 4.162 1.00 0.00 H new ATOM 0 HD21 LEU A 837 18.280 -6.909 6.077 1.00 0.00 H new ATOM 0 HD22 LEU A 837 18.748 -5.414 5.232 1.00 0.00 H new ATOM 0 HD23 LEU A 837 18.865 -5.509 7.005 1.00 0.00 H new ATOM 946 N ALA A 838 15.771 -0.947 6.138 1.00 0.00 N ATOM 947 CA ALA A 838 14.888 0.131 6.561 1.00 0.00 C ATOM 948 C ALA A 838 14.254 0.828 5.362 1.00 0.00 C ATOM 949 O ALA A 838 13.066 1.144 5.384 1.00 0.00 O ATOM 950 CB ALA A 838 15.650 1.129 7.421 1.00 0.00 C ATOM 0 H ALA A 838 16.748 -0.815 6.401 1.00 0.00 H new ATOM 0 HA ALA A 838 14.084 -0.302 7.156 1.00 0.00 H new ATOM 0 HB1 ALA A 838 14.978 1.930 7.731 1.00 0.00 H new ATOM 0 HB2 ALA A 838 16.043 0.624 8.303 1.00 0.00 H new ATOM 0 HB3 ALA A 838 16.475 1.549 6.846 1.00 0.00 H new ATOM 956 N GLN A 839 15.046 1.063 4.320 1.00 0.00 N ATOM 957 CA GLN A 839 14.541 1.691 3.102 1.00 0.00 C ATOM 958 C GLN A 839 13.431 0.850 2.472 1.00 0.00 C ATOM 959 O GLN A 839 12.392 1.376 2.068 1.00 0.00 O ATOM 960 CB GLN A 839 15.679 1.891 2.102 1.00 0.00 C ATOM 961 CG GLN A 839 16.153 3.331 2.007 1.00 0.00 C ATOM 962 CD GLN A 839 15.111 4.247 1.395 1.00 0.00 C ATOM 963 OE1 GLN A 839 14.389 4.947 2.105 1.00 0.00 O ATOM 964 NE2 GLN A 839 15.030 4.253 0.075 1.00 0.00 N ATOM 0 H GLN A 839 16.038 0.829 4.294 1.00 0.00 H new ATOM 0 HA GLN A 839 14.124 2.662 3.368 1.00 0.00 H new ATOM 0 HB2 GLN A 839 16.519 1.258 2.388 1.00 0.00 H new ATOM 0 HB3 GLN A 839 15.350 1.559 1.117 1.00 0.00 H new ATOM 0 HG2 GLN A 839 16.409 3.692 3.003 1.00 0.00 H new ATOM 0 HG3 GLN A 839 17.064 3.372 1.409 1.00 0.00 H new ATOM 0 HE21 GLN A 839 15.647 3.657 -0.477 1.00 0.00 H new ATOM 0 HE22 GLN A 839 14.350 4.853 -0.392 1.00 0.00 H new ATOM 973 N THR A 840 13.650 -0.457 2.399 1.00 0.00 N ATOM 974 CA THR A 840 12.665 -1.367 1.829 1.00 0.00 C ATOM 975 C THR A 840 11.411 -1.433 2.704 1.00 0.00 C ATOM 976 O THR A 840 10.290 -1.372 2.200 1.00 0.00 O ATOM 977 CB THR A 840 13.253 -2.782 1.639 1.00 0.00 C ATOM 978 OG1 THR A 840 14.571 -2.691 1.076 1.00 0.00 O ATOM 979 CG2 THR A 840 12.368 -3.620 0.726 1.00 0.00 C ATOM 0 H THR A 840 14.502 -0.911 2.728 1.00 0.00 H new ATOM 0 HA THR A 840 12.388 -0.976 0.850 1.00 0.00 H new ATOM 0 HB THR A 840 13.303 -3.265 2.615 1.00 0.00 H new ATOM 0 HG1 THR A 840 15.201 -2.390 1.764 1.00 0.00 H new ATOM 0 HG21 THR A 840 12.803 -4.612 0.608 1.00 0.00 H new ATOM 0 HG22 THR A 840 11.374 -3.710 1.165 1.00 0.00 H new ATOM 0 HG23 THR A 840 12.292 -3.139 -0.249 1.00 0.00 H new ATOM 987 N ALA A 841 11.605 -1.530 4.016 1.00 0.00 N ATOM 988 CA ALA A 841 10.488 -1.561 4.953 1.00 0.00 C ATOM 989 C ALA A 841 9.715 -0.247 4.915 1.00 0.00 C ATOM 990 O ALA A 841 8.496 -0.224 5.085 1.00 0.00 O ATOM 991 CB ALA A 841 10.988 -1.852 6.360 1.00 0.00 C ATOM 0 H ALA A 841 12.525 -1.588 4.454 1.00 0.00 H new ATOM 0 HA ALA A 841 9.809 -2.360 4.656 1.00 0.00 H new ATOM 0 HB1 ALA A 841 10.144 -1.872 7.049 1.00 0.00 H new ATOM 0 HB2 ALA A 841 11.492 -2.819 6.375 1.00 0.00 H new ATOM 0 HB3 ALA A 841 11.687 -1.074 6.666 1.00 0.00 H new ATOM 997 N HIS A 842 10.438 0.842 4.681 1.00 0.00 N ATOM 998 CA HIS A 842 9.836 2.160 4.520 1.00 0.00 C ATOM 999 C HIS A 842 8.882 2.159 3.335 1.00 0.00 C ATOM 1000 O HIS A 842 7.744 2.620 3.435 1.00 0.00 O ATOM 1001 CB HIS A 842 10.932 3.207 4.297 1.00 0.00 C ATOM 1002 CG HIS A 842 10.791 4.440 5.132 1.00 0.00 C ATOM 1003 ND1 HIS A 842 11.870 5.186 5.553 1.00 0.00 N ATOM 1004 CD2 HIS A 842 9.694 5.069 5.612 1.00 0.00 C ATOM 1005 CE1 HIS A 842 11.444 6.218 6.251 1.00 0.00 C ATOM 1006 NE2 HIS A 842 10.128 6.174 6.303 1.00 0.00 N ATOM 0 H HIS A 842 11.455 0.837 4.598 1.00 0.00 H new ATOM 0 HA HIS A 842 9.279 2.406 5.424 1.00 0.00 H new ATOM 0 HB2 HIS A 842 11.900 2.751 4.505 1.00 0.00 H new ATOM 0 HB3 HIS A 842 10.934 3.494 3.245 1.00 0.00 H new ATOM 0 HD2 HIS A 842 8.668 4.760 5.477 1.00 0.00 H new ATOM 0 HE1 HIS A 842 12.068 6.974 6.705 1.00 0.00 H new ATOM 0 HE2 HIS A 842 9.530 6.850 6.778 1.00 0.00 H new ATOM 1015 N ARG A 843 9.358 1.622 2.218 1.00 0.00 N ATOM 1016 CA ARG A 843 8.551 1.516 1.013 1.00 0.00 C ATOM 1017 C ARG A 843 7.338 0.630 1.263 1.00 0.00 C ATOM 1018 O ARG A 843 6.220 0.977 0.886 1.00 0.00 O ATOM 1019 CB ARG A 843 9.387 0.951 -0.139 1.00 0.00 C ATOM 1020 CG ARG A 843 8.661 0.940 -1.478 1.00 0.00 C ATOM 1021 CD ARG A 843 9.327 -0.005 -2.464 1.00 0.00 C ATOM 1022 NE ARG A 843 10.620 0.506 -2.921 1.00 0.00 N ATOM 1023 CZ ARG A 843 11.783 -0.123 -2.745 1.00 0.00 C ATOM 1024 NH1 ARG A 843 11.821 -1.329 -2.186 1.00 0.00 N ATOM 1025 NH2 ARG A 843 12.907 0.446 -3.157 1.00 0.00 N ATOM 0 H ARG A 843 10.304 1.252 2.124 1.00 0.00 H new ATOM 0 HA ARG A 843 8.205 2.513 0.740 1.00 0.00 H new ATOM 0 HB2 ARG A 843 10.299 1.539 -0.236 1.00 0.00 H new ATOM 0 HB3 ARG A 843 9.689 -0.067 0.108 1.00 0.00 H new ATOM 0 HG2 ARG A 843 7.624 0.640 -1.328 1.00 0.00 H new ATOM 0 HG3 ARG A 843 8.645 1.948 -1.893 1.00 0.00 H new ATOM 0 HD2 ARG A 843 9.467 -0.979 -1.995 1.00 0.00 H new ATOM 0 HD3 ARG A 843 8.672 -0.155 -3.322 1.00 0.00 H new ATOM 0 HE ARG A 843 10.633 1.403 -3.406 1.00 0.00 H new ATOM 0 HH11 ARG A 843 10.956 -1.780 -1.888 1.00 0.00 H new ATOM 0 HH12 ARG A 843 12.715 -1.803 -2.055 1.00 0.00 H new ATOM 0 HH21 ARG A 843 12.880 1.361 -3.607 1.00 0.00 H new ATOM 0 HH22 ARG A 843 13.799 -0.031 -3.024 1.00 0.00 H new ATOM 1039 N LEU A 844 7.567 -0.496 1.927 1.00 0.00 N ATOM 1040 CA LEU A 844 6.506 -1.458 2.204 1.00 0.00 C ATOM 1041 C LEU A 844 5.455 -0.861 3.131 1.00 0.00 C ATOM 1042 O LEU A 844 4.261 -1.109 2.975 1.00 0.00 O ATOM 1043 CB LEU A 844 7.086 -2.730 2.821 1.00 0.00 C ATOM 1044 CG LEU A 844 7.098 -3.945 1.896 1.00 0.00 C ATOM 1045 CD1 LEU A 844 8.509 -4.487 1.754 1.00 0.00 C ATOM 1046 CD2 LEU A 844 6.162 -5.021 2.421 1.00 0.00 C ATOM 0 H LEU A 844 8.483 -0.767 2.286 1.00 0.00 H new ATOM 0 HA LEU A 844 6.026 -1.710 1.258 1.00 0.00 H new ATOM 0 HB2 LEU A 844 8.107 -2.527 3.144 1.00 0.00 H new ATOM 0 HB3 LEU A 844 6.513 -2.977 3.714 1.00 0.00 H new ATOM 0 HG LEU A 844 6.747 -3.636 0.911 1.00 0.00 H new ATOM 0 HD11 LEU A 844 8.501 -5.353 1.092 1.00 0.00 H new ATOM 0 HD12 LEU A 844 9.155 -3.715 1.335 1.00 0.00 H new ATOM 0 HD13 LEU A 844 8.885 -4.783 2.733 1.00 0.00 H new ATOM 0 HD21 LEU A 844 6.182 -5.880 1.750 1.00 0.00 H new ATOM 0 HD22 LEU A 844 6.484 -5.330 3.416 1.00 0.00 H new ATOM 0 HD23 LEU A 844 5.147 -4.626 2.474 1.00 0.00 H new ATOM 1058 N LYS A 845 5.906 -0.075 4.097 1.00 0.00 N ATOM 1059 CA LYS A 845 5.004 0.610 5.009 1.00 0.00 C ATOM 1060 C LYS A 845 4.115 1.578 4.230 1.00 0.00 C ATOM 1061 O LYS A 845 2.898 1.633 4.438 1.00 0.00 O ATOM 1062 CB LYS A 845 5.822 1.337 6.089 1.00 0.00 C ATOM 1063 CG LYS A 845 5.227 2.657 6.559 1.00 0.00 C ATOM 1064 CD LYS A 845 6.188 3.422 7.457 1.00 0.00 C ATOM 1065 CE LYS A 845 6.783 2.525 8.531 1.00 0.00 C ATOM 1066 NZ LYS A 845 7.744 3.255 9.396 1.00 0.00 N ATOM 0 H LYS A 845 6.895 0.104 4.269 1.00 0.00 H new ATOM 0 HA LYS A 845 4.355 -0.113 5.503 1.00 0.00 H new ATOM 0 HB2 LYS A 845 5.930 0.676 6.949 1.00 0.00 H new ATOM 0 HB3 LYS A 845 6.824 1.523 5.702 1.00 0.00 H new ATOM 0 HG2 LYS A 845 4.972 3.269 5.694 1.00 0.00 H new ATOM 0 HG3 LYS A 845 4.299 2.466 7.099 1.00 0.00 H new ATOM 0 HD2 LYS A 845 6.989 3.849 6.854 1.00 0.00 H new ATOM 0 HD3 LYS A 845 5.664 4.255 7.926 1.00 0.00 H new ATOM 0 HE2 LYS A 845 5.982 2.115 9.145 1.00 0.00 H new ATOM 0 HE3 LYS A 845 7.288 1.681 8.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 845 8.713 2.955 9.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 845 7.651 4.278 9.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 845 7.542 3.045 10.394 1.00 0.00 H new ATOM 1080 N GLY A 846 4.727 2.308 3.307 1.00 0.00 N ATOM 1081 CA GLY A 846 3.995 3.269 2.508 1.00 0.00 C ATOM 1082 C GLY A 846 3.006 2.611 1.566 1.00 0.00 C ATOM 1083 O GLY A 846 1.843 3.012 1.502 1.00 0.00 O ATOM 0 H GLY A 846 5.724 2.250 3.097 1.00 0.00 H new ATOM 0 HA2 GLY A 846 3.462 3.954 3.168 1.00 0.00 H new ATOM 0 HA3 GLY A 846 4.699 3.867 1.930 1.00 0.00 H new ATOM 1087 N VAL A 847 3.455 1.592 0.839 1.00 0.00 N ATOM 1088 CA VAL A 847 2.596 0.930 -0.135 1.00 0.00 C ATOM 1089 C VAL A 847 1.441 0.208 0.547 1.00 0.00 C ATOM 1090 O VAL A 847 0.331 0.205 0.034 1.00 0.00 O ATOM 1091 CB VAL A 847 3.366 -0.059 -1.044 1.00 0.00 C ATOM 1092 CG1 VAL A 847 4.349 0.686 -1.933 1.00 0.00 C ATOM 1093 CG2 VAL A 847 4.081 -1.126 -0.232 1.00 0.00 C ATOM 0 H VAL A 847 4.399 1.210 0.905 1.00 0.00 H new ATOM 0 HA VAL A 847 2.201 1.722 -0.771 1.00 0.00 H new ATOM 0 HB VAL A 847 2.635 -0.562 -1.677 1.00 0.00 H new ATOM 0 HG11 VAL A 847 4.880 -0.026 -2.564 1.00 0.00 H new ATOM 0 HG12 VAL A 847 3.808 1.394 -2.561 1.00 0.00 H new ATOM 0 HG13 VAL A 847 5.065 1.225 -1.312 1.00 0.00 H new ATOM 0 HG21 VAL A 847 4.610 -1.801 -0.904 1.00 0.00 H new ATOM 0 HG22 VAL A 847 4.795 -0.653 0.442 1.00 0.00 H new ATOM 0 HG23 VAL A 847 3.352 -1.690 0.349 1.00 0.00 H new ATOM 1103 N PHE A 848 1.689 -0.376 1.716 1.00 0.00 N ATOM 1104 CA PHE A 848 0.639 -1.076 2.444 1.00 0.00 C ATOM 1105 C PHE A 848 -0.415 -0.089 2.935 1.00 0.00 C ATOM 1106 O PHE A 848 -1.617 -0.359 2.857 1.00 0.00 O ATOM 1107 CB PHE A 848 1.227 -1.864 3.616 1.00 0.00 C ATOM 1108 CG PHE A 848 1.433 -3.323 3.310 1.00 0.00 C ATOM 1109 CD1 PHE A 848 0.627 -3.971 2.389 1.00 0.00 C ATOM 1110 CD2 PHE A 848 2.430 -4.045 3.945 1.00 0.00 C ATOM 1111 CE1 PHE A 848 0.811 -5.311 2.107 1.00 0.00 C ATOM 1112 CE2 PHE A 848 2.619 -5.386 3.668 1.00 0.00 C ATOM 1113 CZ PHE A 848 1.808 -6.020 2.747 1.00 0.00 C ATOM 0 H PHE A 848 2.600 -0.378 2.175 1.00 0.00 H new ATOM 0 HA PHE A 848 0.161 -1.783 1.765 1.00 0.00 H new ATOM 0 HB2 PHE A 848 2.182 -1.421 3.900 1.00 0.00 H new ATOM 0 HB3 PHE A 848 0.564 -1.771 4.476 1.00 0.00 H new ATOM 0 HD1 PHE A 848 -0.155 -3.422 1.885 1.00 0.00 H new ATOM 0 HD2 PHE A 848 3.068 -3.554 4.665 1.00 0.00 H new ATOM 0 HE1 PHE A 848 0.175 -5.804 1.386 1.00 0.00 H new ATOM 0 HE2 PHE A 848 3.400 -5.937 4.171 1.00 0.00 H new ATOM 0 HZ PHE A 848 1.953 -7.068 2.528 1.00 0.00 H new ATOM 1123 N ALA A 849 0.037 1.064 3.418 1.00 0.00 N ATOM 1124 CA ALA A 849 -0.873 2.128 3.825 1.00 0.00 C ATOM 1125 C ALA A 849 -1.714 2.585 2.638 1.00 0.00 C ATOM 1126 O ALA A 849 -2.910 2.851 2.774 1.00 0.00 O ATOM 1127 CB ALA A 849 -0.095 3.295 4.417 1.00 0.00 C ATOM 0 H ALA A 849 1.026 1.285 3.537 1.00 0.00 H new ATOM 0 HA ALA A 849 -1.543 1.742 4.593 1.00 0.00 H new ATOM 0 HB1 ALA A 849 -0.789 4.081 4.716 1.00 0.00 H new ATOM 0 HB2 ALA A 849 0.465 2.955 5.288 1.00 0.00 H new ATOM 0 HB3 ALA A 849 0.597 3.686 3.671 1.00 0.00 H new ATOM 1133 N MET A 850 -1.079 2.649 1.470 1.00 0.00 N ATOM 1134 CA MET A 850 -1.762 3.015 0.234 1.00 0.00 C ATOM 1135 C MET A 850 -2.741 1.915 -0.194 1.00 0.00 C ATOM 1136 O MET A 850 -3.825 2.203 -0.698 1.00 0.00 O ATOM 1137 CB MET A 850 -0.734 3.303 -0.875 1.00 0.00 C ATOM 1138 CG MET A 850 -1.025 2.615 -2.200 1.00 0.00 C ATOM 1139 SD MET A 850 -0.239 3.430 -3.603 1.00 0.00 S ATOM 1140 CE MET A 850 0.730 2.078 -4.271 1.00 0.00 C ATOM 0 H MET A 850 -0.085 2.450 1.355 1.00 0.00 H new ATOM 0 HA MET A 850 -2.340 3.922 0.411 1.00 0.00 H new ATOM 0 HB2 MET A 850 -0.690 4.379 -1.041 1.00 0.00 H new ATOM 0 HB3 MET A 850 0.252 2.993 -0.528 1.00 0.00 H new ATOM 0 HG2 MET A 850 -0.684 1.581 -2.149 1.00 0.00 H new ATOM 0 HG3 MET A 850 -2.103 2.587 -2.360 1.00 0.00 H new ATOM 0 HE1 MET A 850 1.208 2.396 -5.198 1.00 0.00 H new ATOM 0 HE2 MET A 850 1.494 1.787 -3.550 1.00 0.00 H new ATOM 0 HE3 MET A 850 0.078 1.228 -4.472 1.00 0.00 H new ATOM 1150 N LEU A 851 -2.359 0.658 0.023 1.00 0.00 N ATOM 1151 CA LEU A 851 -3.229 -0.474 -0.293 1.00 0.00 C ATOM 1152 C LEU A 851 -4.349 -0.587 0.735 1.00 0.00 C ATOM 1153 O LEU A 851 -5.288 -1.361 0.556 1.00 0.00 O ATOM 1154 CB LEU A 851 -2.433 -1.785 -0.327 1.00 0.00 C ATOM 1155 CG LEU A 851 -1.257 -1.822 -1.305 1.00 0.00 C ATOM 1156 CD1 LEU A 851 -0.456 -3.100 -1.122 1.00 0.00 C ATOM 1157 CD2 LEU A 851 -1.742 -1.700 -2.738 1.00 0.00 C ATOM 0 H LEU A 851 -1.454 0.397 0.416 1.00 0.00 H new ATOM 0 HA LEU A 851 -3.660 -0.299 -1.279 1.00 0.00 H new ATOM 0 HB2 LEU A 851 -2.054 -1.985 0.675 1.00 0.00 H new ATOM 0 HB3 LEU A 851 -3.116 -2.597 -0.578 1.00 0.00 H new ATOM 0 HG LEU A 851 -0.609 -0.972 -1.092 1.00 0.00 H new ATOM 0 HD11 LEU A 851 0.377 -3.111 -1.825 1.00 0.00 H new ATOM 0 HD12 LEU A 851 -0.072 -3.146 -0.103 1.00 0.00 H new ATOM 0 HD13 LEU A 851 -1.098 -3.961 -1.307 1.00 0.00 H new ATOM 0 HD21 LEU A 851 -0.888 -1.729 -3.415 1.00 0.00 H new ATOM 0 HD22 LEU A 851 -2.414 -2.527 -2.966 1.00 0.00 H new ATOM 0 HD23 LEU A 851 -2.273 -0.756 -2.863 1.00 0.00 H new ATOM 1169 N ASN A 852 -4.201 0.168 1.829 1.00 0.00 N ATOM 1170 CA ASN A 852 -5.207 0.262 2.891 1.00 0.00 C ATOM 1171 C ASN A 852 -5.135 -0.951 3.807 1.00 0.00 C ATOM 1172 O ASN A 852 -6.041 -1.205 4.604 1.00 0.00 O ATOM 1173 CB ASN A 852 -6.625 0.419 2.323 1.00 0.00 C ATOM 1174 CG ASN A 852 -7.439 1.456 3.072 1.00 0.00 C ATOM 1175 OD1 ASN A 852 -7.887 2.446 2.492 1.00 0.00 O ATOM 1176 ND2 ASN A 852 -7.638 1.240 4.363 1.00 0.00 N ATOM 0 H ASN A 852 -3.372 0.736 2.003 1.00 0.00 H new ATOM 0 HA ASN A 852 -4.983 1.157 3.472 1.00 0.00 H new ATOM 0 HB2 ASN A 852 -6.563 0.701 1.272 1.00 0.00 H new ATOM 0 HB3 ASN A 852 -7.138 -0.542 2.366 1.00 0.00 H new ATOM 0 HD21 ASN A 852 -8.179 1.906 4.914 1.00 0.00 H new ATOM 0 HD22 ASN A 852 -7.250 0.407 4.807 1.00 0.00 H new ATOM 1183 N LEU A 853 -4.038 -1.684 3.698 1.00 0.00 N ATOM 1184 CA LEU A 853 -3.795 -2.838 4.543 1.00 0.00 C ATOM 1185 C LEU A 853 -3.171 -2.392 5.858 1.00 0.00 C ATOM 1186 O LEU A 853 -1.950 -2.418 6.021 1.00 0.00 O ATOM 1187 CB LEU A 853 -2.883 -3.839 3.830 1.00 0.00 C ATOM 1188 CG LEU A 853 -3.497 -5.223 3.598 1.00 0.00 C ATOM 1189 CD1 LEU A 853 -2.760 -5.957 2.491 1.00 0.00 C ATOM 1190 CD2 LEU A 853 -3.481 -6.041 4.881 1.00 0.00 C ATOM 0 H LEU A 853 -3.296 -1.495 3.024 1.00 0.00 H new ATOM 0 HA LEU A 853 -4.745 -3.330 4.752 1.00 0.00 H new ATOM 0 HB2 LEU A 853 -2.593 -3.421 2.866 1.00 0.00 H new ATOM 0 HB3 LEU A 853 -1.970 -3.956 4.414 1.00 0.00 H new ATOM 0 HG LEU A 853 -4.534 -5.087 3.291 1.00 0.00 H new ATOM 0 HD11 LEU A 853 -3.211 -6.938 2.342 1.00 0.00 H new ATOM 0 HD12 LEU A 853 -2.826 -5.383 1.567 1.00 0.00 H new ATOM 0 HD13 LEU A 853 -1.713 -6.078 2.769 1.00 0.00 H new ATOM 0 HD21 LEU A 853 -3.922 -7.020 4.694 1.00 0.00 H new ATOM 0 HD22 LEU A 853 -2.453 -6.165 5.221 1.00 0.00 H new ATOM 0 HD23 LEU A 853 -4.057 -5.525 5.649 1.00 0.00 H new ATOM 1202 N VAL A 854 -4.026 -1.973 6.783 1.00 0.00 N ATOM 1203 CA VAL A 854 -3.590 -1.447 8.074 1.00 0.00 C ATOM 1204 C VAL A 854 -2.647 -2.412 8.808 1.00 0.00 C ATOM 1205 O VAL A 854 -1.523 -2.032 9.138 1.00 0.00 O ATOM 1206 CB VAL A 854 -4.787 -1.097 8.987 1.00 0.00 C ATOM 1207 CG1 VAL A 854 -4.322 -0.297 10.192 1.00 0.00 C ATOM 1208 CG2 VAL A 854 -5.852 -0.334 8.211 1.00 0.00 C ATOM 0 H VAL A 854 -5.039 -1.987 6.662 1.00 0.00 H new ATOM 0 HA VAL A 854 -3.039 -0.533 7.852 1.00 0.00 H new ATOM 0 HB VAL A 854 -5.229 -2.027 9.344 1.00 0.00 H new ATOM 0 HG11 VAL A 854 -5.178 -0.060 10.823 1.00 0.00 H new ATOM 0 HG12 VAL A 854 -3.602 -0.884 10.762 1.00 0.00 H new ATOM 0 HG13 VAL A 854 -3.852 0.627 9.856 1.00 0.00 H new ATOM 0 HG21 VAL A 854 -6.685 -0.098 8.873 1.00 0.00 H new ATOM 0 HG22 VAL A 854 -5.426 0.590 7.820 1.00 0.00 H new ATOM 0 HG23 VAL A 854 -6.209 -0.947 7.383 1.00 0.00 H new ATOM 1218 N PRO A 855 -3.069 -3.672 9.068 1.00 0.00 N ATOM 1219 CA PRO A 855 -2.218 -4.656 9.754 1.00 0.00 C ATOM 1220 C PRO A 855 -0.890 -4.876 9.030 1.00 0.00 C ATOM 1221 O PRO A 855 0.142 -5.120 9.660 1.00 0.00 O ATOM 1222 CB PRO A 855 -3.057 -5.941 9.752 1.00 0.00 C ATOM 1223 CG PRO A 855 -4.133 -5.713 8.746 1.00 0.00 C ATOM 1224 CD PRO A 855 -4.392 -4.236 8.750 1.00 0.00 C ATOM 0 HA PRO A 855 -1.945 -4.324 10.756 1.00 0.00 H new ATOM 0 HB2 PRO A 855 -2.449 -6.806 9.487 1.00 0.00 H new ATOM 0 HB3 PRO A 855 -3.477 -6.137 10.738 1.00 0.00 H new ATOM 0 HG2 PRO A 855 -3.822 -6.053 7.758 1.00 0.00 H new ATOM 0 HG3 PRO A 855 -5.034 -6.268 9.005 1.00 0.00 H new ATOM 0 HD2 PRO A 855 -4.759 -3.887 7.785 1.00 0.00 H new ATOM 0 HD3 PRO A 855 -5.139 -3.959 9.494 1.00 0.00 H new ATOM 1232 N GLY A 856 -0.920 -4.771 7.708 1.00 0.00 N ATOM 1233 CA GLY A 856 0.290 -4.917 6.923 1.00 0.00 C ATOM 1234 C GLY A 856 1.256 -3.778 7.167 1.00 0.00 C ATOM 1235 O GLY A 856 2.451 -3.997 7.366 1.00 0.00 O ATOM 0 H GLY A 856 -1.763 -4.587 7.164 1.00 0.00 H new ATOM 0 HA2 GLY A 856 0.772 -5.863 7.170 1.00 0.00 H new ATOM 0 HA3 GLY A 856 0.034 -4.957 5.864 1.00 0.00 H new ATOM 1239 N LYS A 857 0.730 -2.557 7.170 1.00 0.00 N ATOM 1240 CA LYS A 857 1.532 -1.373 7.445 1.00 0.00 C ATOM 1241 C LYS A 857 2.106 -1.449 8.857 1.00 0.00 C ATOM 1242 O LYS A 857 3.239 -1.034 9.101 1.00 0.00 O ATOM 1243 CB LYS A 857 0.683 -0.104 7.254 1.00 0.00 C ATOM 1244 CG LYS A 857 0.951 1.008 8.265 1.00 0.00 C ATOM 1245 CD LYS A 857 -0.323 1.424 8.987 1.00 0.00 C ATOM 1246 CE LYS A 857 -1.035 2.549 8.255 1.00 0.00 C ATOM 1247 NZ LYS A 857 -1.554 3.585 9.187 1.00 0.00 N ATOM 0 H LYS A 857 -0.254 -2.363 6.984 1.00 0.00 H new ATOM 0 HA LYS A 857 2.365 -1.329 6.743 1.00 0.00 H new ATOM 0 HB2 LYS A 857 0.860 0.286 6.252 1.00 0.00 H new ATOM 0 HB3 LYS A 857 -0.371 -0.378 7.308 1.00 0.00 H new ATOM 0 HG2 LYS A 857 1.689 0.670 8.992 1.00 0.00 H new ATOM 0 HG3 LYS A 857 1.379 1.870 7.754 1.00 0.00 H new ATOM 0 HD2 LYS A 857 -0.990 0.566 9.075 1.00 0.00 H new ATOM 0 HD3 LYS A 857 -0.080 1.744 10.000 1.00 0.00 H new ATOM 0 HE2 LYS A 857 -0.348 3.011 7.547 1.00 0.00 H new ATOM 0 HE3 LYS A 857 -1.861 2.137 7.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 857 -2.032 4.332 8.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 857 -2.230 3.151 9.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 857 -0.764 3.998 9.722 1.00 0.00 H new ATOM 1261 N GLN A 858 1.318 -2.000 9.779 1.00 0.00 N ATOM 1262 CA GLN A 858 1.759 -2.186 11.158 1.00 0.00 C ATOM 1263 C GLN A 858 2.941 -3.146 11.219 1.00 0.00 C ATOM 1264 O GLN A 858 3.878 -2.949 11.996 1.00 0.00 O ATOM 1265 CB GLN A 858 0.614 -2.718 12.017 1.00 0.00 C ATOM 1266 CG GLN A 858 -0.469 -1.692 12.300 1.00 0.00 C ATOM 1267 CD GLN A 858 -1.641 -2.286 13.053 1.00 0.00 C ATOM 1268 OE1 GLN A 858 -2.448 -3.025 12.490 1.00 0.00 O ATOM 1269 NE2 GLN A 858 -1.741 -1.971 14.333 1.00 0.00 N ATOM 0 H GLN A 858 0.369 -2.326 9.594 1.00 0.00 H new ATOM 0 HA GLN A 858 2.073 -1.218 11.547 1.00 0.00 H new ATOM 0 HB2 GLN A 858 0.166 -3.577 11.517 1.00 0.00 H new ATOM 0 HB3 GLN A 858 1.019 -3.076 12.964 1.00 0.00 H new ATOM 0 HG2 GLN A 858 -0.046 -0.871 12.879 1.00 0.00 H new ATOM 0 HG3 GLN A 858 -0.821 -1.270 11.359 1.00 0.00 H new ATOM 0 HE21 GLN A 858 -1.051 -1.355 14.762 1.00 0.00 H new ATOM 0 HE22 GLN A 858 -2.508 -2.344 14.892 1.00 0.00 H new ATOM 1278 N LEU A 859 2.892 -4.186 10.396 1.00 0.00 N ATOM 1279 CA LEU A 859 3.982 -5.152 10.316 1.00 0.00 C ATOM 1280 C LEU A 859 5.268 -4.469 9.867 1.00 0.00 C ATOM 1281 O LEU A 859 6.315 -4.628 10.493 1.00 0.00 O ATOM 1282 CB LEU A 859 3.628 -6.283 9.349 1.00 0.00 C ATOM 1283 CG LEU A 859 2.733 -7.378 9.927 1.00 0.00 C ATOM 1284 CD1 LEU A 859 2.060 -8.151 8.809 1.00 0.00 C ATOM 1285 CD2 LEU A 859 3.536 -8.317 10.816 1.00 0.00 C ATOM 0 H LEU A 859 2.108 -4.383 9.773 1.00 0.00 H new ATOM 0 HA LEU A 859 4.135 -5.575 11.309 1.00 0.00 H new ATOM 0 HB2 LEU A 859 3.133 -5.853 8.478 1.00 0.00 H new ATOM 0 HB3 LEU A 859 4.552 -6.740 8.996 1.00 0.00 H new ATOM 0 HG LEU A 859 1.963 -6.907 10.538 1.00 0.00 H new ATOM 0 HD11 LEU A 859 1.425 -8.928 9.235 1.00 0.00 H new ATOM 0 HD12 LEU A 859 1.451 -7.472 8.212 1.00 0.00 H new ATOM 0 HD13 LEU A 859 2.819 -8.609 8.175 1.00 0.00 H new ATOM 0 HD21 LEU A 859 2.879 -9.089 11.217 1.00 0.00 H new ATOM 0 HD22 LEU A 859 4.329 -8.783 10.231 1.00 0.00 H new ATOM 0 HD23 LEU A 859 3.976 -7.752 11.638 1.00 0.00 H new ATOM 1297 N CYS A 860 5.177 -3.691 8.792 1.00 0.00 N ATOM 1298 CA CYS A 860 6.329 -2.958 8.277 1.00 0.00 C ATOM 1299 C CYS A 860 6.826 -1.930 9.293 1.00 0.00 C ATOM 1300 O CYS A 860 8.027 -1.672 9.392 1.00 0.00 O ATOM 1301 CB CYS A 860 5.968 -2.267 6.967 1.00 0.00 C ATOM 1302 SG CYS A 860 5.171 -3.351 5.764 1.00 0.00 S ATOM 0 H CYS A 860 4.317 -3.552 8.261 1.00 0.00 H new ATOM 0 HA CYS A 860 7.132 -3.672 8.096 1.00 0.00 H new ATOM 0 HB2 CYS A 860 5.305 -1.428 7.181 1.00 0.00 H new ATOM 0 HB3 CYS A 860 6.874 -1.853 6.524 1.00 0.00 H new ATOM 0 HG CYS A 860 4.040 -3.776 6.245 1.00 0.00 H new ATOM 1308 N GLU A 861 5.899 -1.349 10.045 1.00 0.00 N ATOM 1309 CA GLU A 861 6.245 -0.397 11.095 1.00 0.00 C ATOM 1310 C GLU A 861 7.123 -1.064 12.149 1.00 0.00 C ATOM 1311 O GLU A 861 8.200 -0.564 12.494 1.00 0.00 O ATOM 1312 CB GLU A 861 4.978 0.158 11.749 1.00 0.00 C ATOM 1313 CG GLU A 861 4.518 1.480 11.161 1.00 0.00 C ATOM 1314 CD GLU A 861 5.165 2.667 11.839 1.00 0.00 C ATOM 1315 OE1 GLU A 861 6.409 2.749 11.840 1.00 0.00 O ATOM 1316 OE2 GLU A 861 4.436 3.518 12.384 1.00 0.00 O ATOM 0 H GLU A 861 4.898 -1.521 9.947 1.00 0.00 H new ATOM 0 HA GLU A 861 6.799 0.426 10.644 1.00 0.00 H new ATOM 0 HB2 GLU A 861 4.176 -0.574 11.647 1.00 0.00 H new ATOM 0 HB3 GLU A 861 5.157 0.288 12.816 1.00 0.00 H new ATOM 0 HG2 GLU A 861 4.750 1.502 10.096 1.00 0.00 H new ATOM 0 HG3 GLU A 861 3.435 1.558 11.253 1.00 0.00 H new ATOM 1323 N THR A 862 6.655 -2.202 12.648 1.00 0.00 N ATOM 1324 CA THR A 862 7.391 -2.967 13.638 1.00 0.00 C ATOM 1325 C THR A 862 8.698 -3.504 13.053 1.00 0.00 C ATOM 1326 O THR A 862 9.714 -3.554 13.742 1.00 0.00 O ATOM 1327 CB THR A 862 6.542 -4.132 14.174 1.00 0.00 C ATOM 1328 OG1 THR A 862 5.170 -3.720 14.266 1.00 0.00 O ATOM 1329 CG2 THR A 862 7.037 -4.583 15.541 1.00 0.00 C ATOM 0 H THR A 862 5.762 -2.615 12.378 1.00 0.00 H new ATOM 0 HA THR A 862 7.627 -2.296 14.464 1.00 0.00 H new ATOM 0 HB THR A 862 6.630 -4.972 13.485 1.00 0.00 H new ATOM 0 HG1 THR A 862 4.796 -3.625 13.365 1.00 0.00 H new ATOM 0 HG21 THR A 862 6.420 -5.408 15.898 1.00 0.00 H new ATOM 0 HG22 THR A 862 8.073 -4.913 15.462 1.00 0.00 H new ATOM 0 HG23 THR A 862 6.973 -3.752 16.243 1.00 0.00 H new ATOM 1337 N LEU A 863 8.664 -3.887 11.777 1.00 0.00 N ATOM 1338 CA LEU A 863 9.861 -4.348 11.080 1.00 0.00 C ATOM 1339 C LEU A 863 10.931 -3.262 11.099 1.00 0.00 C ATOM 1340 O LEU A 863 12.078 -3.518 11.463 1.00 0.00 O ATOM 1341 CB LEU A 863 9.535 -4.731 9.630 1.00 0.00 C ATOM 1342 CG LEU A 863 10.133 -6.055 9.134 1.00 0.00 C ATOM 1343 CD1 LEU A 863 10.353 -6.008 7.632 1.00 0.00 C ATOM 1344 CD2 LEU A 863 11.438 -6.365 9.848 1.00 0.00 C ATOM 0 H LEU A 863 7.819 -3.887 11.206 1.00 0.00 H new ATOM 0 HA LEU A 863 10.236 -5.232 11.596 1.00 0.00 H new ATOM 0 HB2 LEU A 863 8.451 -4.782 9.523 1.00 0.00 H new ATOM 0 HB3 LEU A 863 9.882 -3.931 8.977 1.00 0.00 H new ATOM 0 HG LEU A 863 9.424 -6.851 9.360 1.00 0.00 H new ATOM 0 HD11 LEU A 863 10.777 -6.954 7.297 1.00 0.00 H new ATOM 0 HD12 LEU A 863 9.400 -5.839 7.130 1.00 0.00 H new ATOM 0 HD13 LEU A 863 11.039 -5.197 7.390 1.00 0.00 H new ATOM 0 HD21 LEU A 863 11.840 -7.308 9.478 1.00 0.00 H new ATOM 0 HD22 LEU A 863 12.155 -5.566 9.659 1.00 0.00 H new ATOM 0 HD23 LEU A 863 11.256 -6.444 10.920 1.00 0.00 H new ATOM 1356 N GLU A 864 10.543 -2.048 10.723 1.00 0.00 N ATOM 1357 CA GLU A 864 11.461 -0.915 10.717 1.00 0.00 C ATOM 1358 C GLU A 864 12.046 -0.685 12.108 1.00 0.00 C ATOM 1359 O GLU A 864 13.234 -0.397 12.255 1.00 0.00 O ATOM 1360 CB GLU A 864 10.748 0.346 10.230 1.00 0.00 C ATOM 1361 CG GLU A 864 11.149 0.770 8.828 1.00 0.00 C ATOM 1362 CD GLU A 864 11.039 2.266 8.631 1.00 0.00 C ATOM 1363 OE1 GLU A 864 11.983 2.989 9.004 1.00 0.00 O ATOM 1364 OE2 GLU A 864 10.000 2.730 8.121 1.00 0.00 O ATOM 0 H GLU A 864 9.596 -1.823 10.418 1.00 0.00 H new ATOM 0 HA GLU A 864 12.278 -1.143 10.033 1.00 0.00 H new ATOM 0 HB2 GLU A 864 9.671 0.177 10.255 1.00 0.00 H new ATOM 0 HB3 GLU A 864 10.959 1.162 10.921 1.00 0.00 H new ATOM 0 HG2 GLU A 864 12.174 0.454 8.634 1.00 0.00 H new ATOM 0 HG3 GLU A 864 10.515 0.262 8.101 1.00 0.00 H new ATOM 1371 N HIS A 865 11.209 -0.833 13.131 1.00 0.00 N ATOM 1372 CA HIS A 865 11.660 -0.695 14.513 1.00 0.00 C ATOM 1373 C HIS A 865 12.612 -1.833 14.885 1.00 0.00 C ATOM 1374 O HIS A 865 13.565 -1.632 15.629 1.00 0.00 O ATOM 1375 CB HIS A 865 10.462 -0.674 15.469 1.00 0.00 C ATOM 1376 CG HIS A 865 10.734 0.015 16.774 1.00 0.00 C ATOM 1377 ND1 HIS A 865 10.039 1.126 17.197 1.00 0.00 N ATOM 1378 CD2 HIS A 865 11.631 -0.254 17.752 1.00 0.00 C ATOM 1379 CE1 HIS A 865 10.489 1.504 18.377 1.00 0.00 C ATOM 1380 NE2 HIS A 865 11.458 0.686 18.737 1.00 0.00 N ATOM 0 H HIS A 865 10.217 -1.048 13.030 1.00 0.00 H new ATOM 0 HA HIS A 865 12.196 0.250 14.604 1.00 0.00 H new ATOM 0 HB2 HIS A 865 9.626 -0.179 14.976 1.00 0.00 H new ATOM 0 HB3 HIS A 865 10.152 -1.700 15.669 1.00 0.00 H new ATOM 0 HD2 HIS A 865 12.350 -1.060 17.756 1.00 0.00 H new ATOM 0 HE1 HIS A 865 10.125 2.343 18.952 1.00 0.00 H new ATOM 0 HE2 HIS A 865 11.991 0.742 19.605 1.00 0.00 H new ATOM 1389 N LEU A 866 12.352 -3.026 14.367 1.00 0.00 N ATOM 1390 CA LEU A 866 13.223 -4.172 14.618 1.00 0.00 C ATOM 1391 C LEU A 866 14.580 -3.964 13.959 1.00 0.00 C ATOM 1392 O LEU A 866 15.621 -4.294 14.533 1.00 0.00 O ATOM 1393 CB LEU A 866 12.580 -5.460 14.099 1.00 0.00 C ATOM 1394 CG LEU A 866 11.531 -6.076 15.024 1.00 0.00 C ATOM 1395 CD1 LEU A 866 10.763 -7.167 14.299 1.00 0.00 C ATOM 1396 CD2 LEU A 866 12.187 -6.627 16.282 1.00 0.00 C ATOM 0 H LEU A 866 11.548 -3.228 13.772 1.00 0.00 H new ATOM 0 HA LEU A 866 13.366 -4.262 15.695 1.00 0.00 H new ATOM 0 HB2 LEU A 866 12.116 -5.254 13.135 1.00 0.00 H new ATOM 0 HB3 LEU A 866 13.365 -6.195 13.924 1.00 0.00 H new ATOM 0 HG LEU A 866 10.828 -5.297 15.319 1.00 0.00 H new ATOM 0 HD11 LEU A 866 10.020 -7.596 14.971 1.00 0.00 H new ATOM 0 HD12 LEU A 866 10.263 -6.743 13.428 1.00 0.00 H new ATOM 0 HD13 LEU A 866 11.454 -7.946 13.977 1.00 0.00 H new ATOM 0 HD21 LEU A 866 11.425 -7.062 16.929 1.00 0.00 H new ATOM 0 HD22 LEU A 866 12.912 -7.394 16.008 1.00 0.00 H new ATOM 0 HD23 LEU A 866 12.695 -5.820 16.811 1.00 0.00 H new ATOM 1408 N ILE A 867 14.558 -3.407 12.755 1.00 0.00 N ATOM 1409 CA ILE A 867 15.779 -3.095 12.026 1.00 0.00 C ATOM 1410 C ILE A 867 16.566 -2.004 12.748 1.00 0.00 C ATOM 1411 O ILE A 867 17.784 -2.096 12.890 1.00 0.00 O ATOM 1412 CB ILE A 867 15.470 -2.646 10.579 1.00 0.00 C ATOM 1413 CG1 ILE A 867 14.791 -3.777 9.802 1.00 0.00 C ATOM 1414 CG2 ILE A 867 16.744 -2.215 9.869 1.00 0.00 C ATOM 1415 CD1 ILE A 867 13.903 -3.292 8.679 1.00 0.00 C ATOM 0 H ILE A 867 13.701 -3.161 12.260 1.00 0.00 H new ATOM 0 HA ILE A 867 16.380 -4.003 11.983 1.00 0.00 H new ATOM 0 HB ILE A 867 14.791 -1.794 10.623 1.00 0.00 H new ATOM 0 HG12 ILE A 867 15.557 -4.434 9.390 1.00 0.00 H new ATOM 0 HG13 ILE A 867 14.196 -4.374 10.492 1.00 0.00 H new ATOM 0 HG21 ILE A 867 16.506 -1.903 8.852 1.00 0.00 H new ATOM 0 HG22 ILE A 867 17.197 -1.383 10.408 1.00 0.00 H new ATOM 0 HG23 ILE A 867 17.443 -3.050 9.838 1.00 0.00 H new ATOM 0 HD11 ILE A 867 13.456 -4.148 8.173 1.00 0.00 H new ATOM 0 HD12 ILE A 867 13.115 -2.659 9.086 1.00 0.00 H new ATOM 0 HD13 ILE A 867 14.497 -2.719 7.967 1.00 0.00 H new ATOM 1427 N ARG A 868 15.851 -0.989 13.226 1.00 0.00 N ATOM 1428 CA ARG A 868 16.471 0.110 13.962 1.00 0.00 C ATOM 1429 C ARG A 868 17.051 -0.385 15.290 1.00 0.00 C ATOM 1430 O ARG A 868 18.015 0.175 15.812 1.00 0.00 O ATOM 1431 CB ARG A 868 15.447 1.233 14.200 1.00 0.00 C ATOM 1432 CG ARG A 868 14.707 1.141 15.512 1.00 0.00 C ATOM 1433 CD ARG A 868 15.199 2.174 16.492 1.00 0.00 C ATOM 1434 NE ARG A 868 14.623 3.493 16.241 1.00 0.00 N ATOM 1435 CZ ARG A 868 14.874 4.571 16.981 1.00 0.00 C ATOM 1436 NH1 ARG A 868 15.672 4.488 18.039 1.00 0.00 N ATOM 1437 NH2 ARG A 868 14.328 5.732 16.653 1.00 0.00 N ATOM 0 H ARG A 868 14.840 -0.904 13.117 1.00 0.00 H new ATOM 0 HA ARG A 868 17.291 0.508 13.365 1.00 0.00 H new ATOM 0 HB2 ARG A 868 15.963 2.192 14.155 1.00 0.00 H new ATOM 0 HB3 ARG A 868 14.721 1.223 13.387 1.00 0.00 H new ATOM 0 HG2 ARG A 868 13.640 1.279 15.340 1.00 0.00 H new ATOM 0 HG3 ARG A 868 14.836 0.145 15.935 1.00 0.00 H new ATOM 0 HD2 ARG A 868 14.951 1.858 17.505 1.00 0.00 H new ATOM 0 HD3 ARG A 868 16.286 2.237 16.435 1.00 0.00 H new ATOM 0 HE ARG A 868 13.989 3.594 15.449 1.00 0.00 H new ATOM 0 HH11 ARG A 868 16.097 3.595 18.289 1.00 0.00 H new ATOM 0 HH12 ARG A 868 15.860 5.317 18.602 1.00 0.00 H new ATOM 0 HH21 ARG A 868 13.719 5.797 15.837 1.00 0.00 H new ATOM 0 HH22 ARG A 868 14.516 6.561 17.216 1.00 0.00 H new ATOM 1451 N GLU A 869 16.450 -1.439 15.834 1.00 0.00 N ATOM 1452 CA GLU A 869 16.923 -2.039 17.074 1.00 0.00 C ATOM 1453 C GLU A 869 18.034 -3.041 16.782 1.00 0.00 C ATOM 1454 O GLU A 869 18.644 -3.595 17.698 1.00 0.00 O ATOM 1455 CB GLU A 869 15.768 -2.731 17.805 1.00 0.00 C ATOM 1456 CG GLU A 869 14.873 -1.787 18.593 1.00 0.00 C ATOM 1457 CD GLU A 869 15.635 -0.668 19.273 1.00 0.00 C ATOM 1458 OE1 GLU A 869 16.650 -0.949 19.942 1.00 0.00 O ATOM 1459 OE2 GLU A 869 15.219 0.498 19.147 1.00 0.00 O ATOM 0 H GLU A 869 15.631 -1.896 15.432 1.00 0.00 H new ATOM 0 HA GLU A 869 17.319 -1.250 17.714 1.00 0.00 H new ATOM 0 HB2 GLU A 869 15.160 -3.266 17.075 1.00 0.00 H new ATOM 0 HB3 GLU A 869 16.179 -3.477 18.486 1.00 0.00 H new ATOM 0 HG2 GLU A 869 14.130 -1.356 17.921 1.00 0.00 H new ATOM 0 HG3 GLU A 869 14.329 -2.357 19.346 1.00 0.00 H new ATOM 1466 N LYS A 870 18.282 -3.259 15.491 1.00 0.00 N ATOM 1467 CA LYS A 870 19.304 -4.190 15.028 1.00 0.00 C ATOM 1468 C LYS A 870 19.058 -5.591 15.581 1.00 0.00 C ATOM 1469 O LYS A 870 19.992 -6.303 15.952 1.00 0.00 O ATOM 1470 CB LYS A 870 20.701 -3.692 15.410 1.00 0.00 C ATOM 1471 CG LYS A 870 21.124 -2.435 14.667 1.00 0.00 C ATOM 1472 CD LYS A 870 22.399 -2.666 13.876 1.00 0.00 C ATOM 1473 CE LYS A 870 22.438 -1.812 12.619 1.00 0.00 C ATOM 1474 NZ LYS A 870 23.811 -1.335 12.312 1.00 0.00 N ATOM 0 H LYS A 870 17.777 -2.793 14.737 1.00 0.00 H new ATOM 0 HA LYS A 870 19.246 -4.244 13.941 1.00 0.00 H new ATOM 0 HB2 LYS A 870 20.727 -3.496 16.482 1.00 0.00 H new ATOM 0 HB3 LYS A 870 21.426 -4.482 15.212 1.00 0.00 H new ATOM 0 HG2 LYS A 870 20.327 -2.123 13.993 1.00 0.00 H new ATOM 0 HG3 LYS A 870 21.276 -1.623 15.378 1.00 0.00 H new ATOM 0 HD2 LYS A 870 23.262 -2.436 14.500 1.00 0.00 H new ATOM 0 HD3 LYS A 870 22.474 -3.719 13.604 1.00 0.00 H new ATOM 0 HE2 LYS A 870 22.058 -2.390 11.776 1.00 0.00 H new ATOM 0 HE3 LYS A 870 21.776 -0.955 12.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 870 23.792 -0.757 11.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 870 24.165 -0.762 13.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 870 24.438 -2.152 12.169 1.00 0.00 H new ATOM 1488 N ASP A 871 17.790 -5.969 15.639 1.00 0.00 N ATOM 1489 CA ASP A 871 17.402 -7.296 16.091 1.00 0.00 C ATOM 1490 C ASP A 871 17.369 -8.246 14.906 1.00 0.00 C ATOM 1491 O ASP A 871 16.323 -8.447 14.290 1.00 0.00 O ATOM 1492 CB ASP A 871 16.033 -7.250 16.770 1.00 0.00 C ATOM 1493 CG ASP A 871 15.796 -8.442 17.671 1.00 0.00 C ATOM 1494 OD1 ASP A 871 16.524 -8.590 18.676 1.00 0.00 O ATOM 1495 OD2 ASP A 871 14.874 -9.234 17.389 1.00 0.00 O ATOM 0 H ASP A 871 17.007 -5.370 15.376 1.00 0.00 H new ATOM 0 HA ASP A 871 18.133 -7.652 16.817 1.00 0.00 H new ATOM 0 HB2 ASP A 871 15.951 -6.334 17.355 1.00 0.00 H new ATOM 0 HB3 ASP A 871 15.254 -7.213 16.009 1.00 0.00 H new ATOM 1500 N VAL A 872 18.523 -8.826 14.601 1.00 0.00 N ATOM 1501 CA VAL A 872 18.710 -9.609 13.378 1.00 0.00 C ATOM 1502 C VAL A 872 17.659 -10.715 13.213 1.00 0.00 C ATOM 1503 O VAL A 872 16.936 -10.720 12.217 1.00 0.00 O ATOM 1504 CB VAL A 872 20.124 -10.227 13.289 1.00 0.00 C ATOM 1505 CG1 VAL A 872 20.578 -10.289 11.839 1.00 0.00 C ATOM 1506 CG2 VAL A 872 21.122 -9.443 14.132 1.00 0.00 C ATOM 0 H VAL A 872 19.355 -8.770 15.189 1.00 0.00 H new ATOM 0 HA VAL A 872 18.586 -8.896 12.563 1.00 0.00 H new ATOM 0 HB VAL A 872 20.079 -11.241 13.687 1.00 0.00 H new ATOM 0 HG11 VAL A 872 21.575 -10.726 11.788 1.00 0.00 H new ATOM 0 HG12 VAL A 872 19.883 -10.903 11.266 1.00 0.00 H new ATOM 0 HG13 VAL A 872 20.601 -9.282 11.422 1.00 0.00 H new ATOM 0 HG21 VAL A 872 22.107 -9.901 14.049 1.00 0.00 H new ATOM 0 HG22 VAL A 872 21.170 -8.414 13.776 1.00 0.00 H new ATOM 0 HG23 VAL A 872 20.804 -9.452 15.175 1.00 0.00 H new ATOM 1516 N PRO A 873 17.539 -11.662 14.177 1.00 0.00 N ATOM 1517 CA PRO A 873 16.552 -12.748 14.086 1.00 0.00 C ATOM 1518 C PRO A 873 15.129 -12.218 13.948 1.00 0.00 C ATOM 1519 O PRO A 873 14.309 -12.792 13.229 1.00 0.00 O ATOM 1520 CB PRO A 873 16.715 -13.509 15.407 1.00 0.00 C ATOM 1521 CG PRO A 873 18.087 -13.171 15.872 1.00 0.00 C ATOM 1522 CD PRO A 873 18.338 -11.763 15.412 1.00 0.00 C ATOM 0 HA PRO A 873 16.716 -13.371 13.207 1.00 0.00 H new ATOM 0 HB2 PRO A 873 15.964 -13.203 16.135 1.00 0.00 H new ATOM 0 HB3 PRO A 873 16.600 -14.583 15.262 1.00 0.00 H new ATOM 0 HG2 PRO A 873 18.163 -13.248 16.957 1.00 0.00 H new ATOM 0 HG3 PRO A 873 18.823 -13.857 15.452 1.00 0.00 H new ATOM 0 HD2 PRO A 873 18.020 -11.034 16.157 1.00 0.00 H new ATOM 0 HD3 PRO A 873 19.396 -11.585 15.222 1.00 0.00 H new ATOM 1530 N GLY A 874 14.850 -11.109 14.625 1.00 0.00 N ATOM 1531 CA GLY A 874 13.542 -10.496 14.545 1.00 0.00 C ATOM 1532 C GLY A 874 13.247 -9.965 13.157 1.00 0.00 C ATOM 1533 O GLY A 874 12.131 -10.106 12.658 1.00 0.00 O ATOM 0 H GLY A 874 15.512 -10.623 15.230 1.00 0.00 H new ATOM 0 HA2 GLY A 874 12.782 -11.226 14.823 1.00 0.00 H new ATOM 0 HA3 GLY A 874 13.479 -9.681 15.266 1.00 0.00 H new ATOM 1537 N ILE A 875 14.255 -9.367 12.526 1.00 0.00 N ATOM 1538 CA ILE A 875 14.111 -8.842 11.173 1.00 0.00 C ATOM 1539 C ILE A 875 13.798 -9.970 10.193 1.00 0.00 C ATOM 1540 O ILE A 875 12.813 -9.909 9.457 1.00 0.00 O ATOM 1541 CB ILE A 875 15.388 -8.102 10.709 1.00 0.00 C ATOM 1542 CG1 ILE A 875 15.692 -6.913 11.624 1.00 0.00 C ATOM 1543 CG2 ILE A 875 15.250 -7.631 9.269 1.00 0.00 C ATOM 1544 CD1 ILE A 875 17.148 -6.499 11.612 1.00 0.00 C ATOM 0 H ILE A 875 15.181 -9.234 12.932 1.00 0.00 H new ATOM 0 HA ILE A 875 13.286 -8.130 11.189 1.00 0.00 H new ATOM 0 HB ILE A 875 16.218 -8.806 10.766 1.00 0.00 H new ATOM 0 HG12 ILE A 875 15.079 -6.065 11.320 1.00 0.00 H new ATOM 0 HG13 ILE A 875 15.403 -7.166 12.644 1.00 0.00 H new ATOM 0 HG21 ILE A 875 16.161 -7.114 8.967 1.00 0.00 H new ATOM 0 HG22 ILE A 875 15.088 -8.491 8.619 1.00 0.00 H new ATOM 0 HG23 ILE A 875 14.402 -6.950 9.188 1.00 0.00 H new ATOM 0 HD11 ILE A 875 17.291 -5.651 12.282 1.00 0.00 H new ATOM 0 HD12 ILE A 875 17.766 -7.333 11.945 1.00 0.00 H new ATOM 0 HD13 ILE A 875 17.437 -6.214 10.600 1.00 0.00 H new ATOM 1556 N GLU A 876 14.631 -11.007 10.209 1.00 0.00 N ATOM 1557 CA GLU A 876 14.460 -12.150 9.317 1.00 0.00 C ATOM 1558 C GLU A 876 13.098 -12.809 9.542 1.00 0.00 C ATOM 1559 O GLU A 876 12.390 -13.150 8.587 1.00 0.00 O ATOM 1560 CB GLU A 876 15.585 -13.169 9.531 1.00 0.00 C ATOM 1561 CG GLU A 876 16.960 -12.532 9.676 1.00 0.00 C ATOM 1562 CD GLU A 876 18.089 -13.494 9.374 1.00 0.00 C ATOM 1563 OE1 GLU A 876 18.355 -14.384 10.204 1.00 0.00 O ATOM 1564 OE2 GLU A 876 18.725 -13.360 8.305 1.00 0.00 O ATOM 0 H GLU A 876 15.435 -11.079 10.833 1.00 0.00 H new ATOM 0 HA GLU A 876 14.505 -11.792 8.289 1.00 0.00 H new ATOM 0 HB2 GLU A 876 15.369 -13.755 10.424 1.00 0.00 H new ATOM 0 HB3 GLU A 876 15.601 -13.863 8.690 1.00 0.00 H new ATOM 0 HG2 GLU A 876 17.030 -11.675 9.006 1.00 0.00 H new ATOM 0 HG3 GLU A 876 17.074 -12.153 10.692 1.00 0.00 H new ATOM 1571 N LYS A 877 12.730 -12.967 10.809 1.00 0.00 N ATOM 1572 CA LYS A 877 11.441 -13.539 11.169 1.00 0.00 C ATOM 1573 C LYS A 877 10.303 -12.703 10.601 1.00 0.00 C ATOM 1574 O LYS A 877 9.386 -13.233 9.977 1.00 0.00 O ATOM 1575 CB LYS A 877 11.305 -13.635 12.693 1.00 0.00 C ATOM 1576 CG LYS A 877 10.383 -14.751 13.157 1.00 0.00 C ATOM 1577 CD LYS A 877 9.087 -14.202 13.737 1.00 0.00 C ATOM 1578 CE LYS A 877 7.900 -15.090 13.392 1.00 0.00 C ATOM 1579 NZ LYS A 877 6.603 -14.490 13.810 1.00 0.00 N ATOM 0 H LYS A 877 13.310 -12.705 11.606 1.00 0.00 H new ATOM 0 HA LYS A 877 11.385 -14.541 10.744 1.00 0.00 H new ATOM 0 HB2 LYS A 877 12.293 -13.788 13.128 1.00 0.00 H new ATOM 0 HB3 LYS A 877 10.932 -12.685 13.076 1.00 0.00 H new ATOM 0 HG2 LYS A 877 10.157 -15.409 12.318 1.00 0.00 H new ATOM 0 HG3 LYS A 877 10.891 -15.355 13.908 1.00 0.00 H new ATOM 0 HD2 LYS A 877 9.178 -14.120 14.820 1.00 0.00 H new ATOM 0 HD3 LYS A 877 8.913 -13.196 13.354 1.00 0.00 H new ATOM 0 HE2 LYS A 877 7.884 -15.270 12.317 1.00 0.00 H new ATOM 0 HE3 LYS A 877 8.022 -16.059 13.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 877 5.820 -15.090 13.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 877 6.571 -14.420 14.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 877 6.510 -13.540 13.396 1.00 0.00 H new ATOM 1593 N TYR A 878 10.385 -11.394 10.792 1.00 0.00 N ATOM 1594 CA TYR A 878 9.324 -10.492 10.368 1.00 0.00 C ATOM 1595 C TYR A 878 9.238 -10.396 8.850 1.00 0.00 C ATOM 1596 O TYR A 878 8.148 -10.240 8.303 1.00 0.00 O ATOM 1597 CB TYR A 878 9.519 -9.109 10.975 1.00 0.00 C ATOM 1598 CG TYR A 878 8.404 -8.718 11.914 1.00 0.00 C ATOM 1599 CD1 TYR A 878 8.110 -9.492 13.028 1.00 0.00 C ATOM 1600 CD2 TYR A 878 7.642 -7.581 11.684 1.00 0.00 C ATOM 1601 CE1 TYR A 878 7.088 -9.144 13.886 1.00 0.00 C ATOM 1602 CE2 TYR A 878 6.617 -7.226 12.541 1.00 0.00 C ATOM 1603 CZ TYR A 878 6.346 -8.010 13.639 1.00 0.00 C ATOM 1604 OH TYR A 878 5.329 -7.660 14.496 1.00 0.00 O ATOM 0 H TYR A 878 11.177 -10.932 11.239 1.00 0.00 H new ATOM 0 HA TYR A 878 8.382 -10.906 10.729 1.00 0.00 H new ATOM 0 HB2 TYR A 878 10.466 -9.084 11.514 1.00 0.00 H new ATOM 0 HB3 TYR A 878 9.588 -8.373 10.174 1.00 0.00 H new ATOM 0 HD1 TYR A 878 8.691 -10.381 13.226 1.00 0.00 H new ATOM 0 HD2 TYR A 878 7.853 -6.964 10.823 1.00 0.00 H new ATOM 0 HE1 TYR A 878 6.870 -9.758 14.748 1.00 0.00 H new ATOM 0 HE2 TYR A 878 6.032 -6.338 12.350 1.00 0.00 H new ATOM 0 HH TYR A 878 4.905 -6.835 14.181 1.00 0.00 H new ATOM 1614 N ILE A 879 10.375 -10.487 8.169 1.00 0.00 N ATOM 1615 CA ILE A 879 10.378 -10.522 6.712 1.00 0.00 C ATOM 1616 C ILE A 879 9.554 -11.713 6.236 1.00 0.00 C ATOM 1617 O ILE A 879 8.690 -11.589 5.365 1.00 0.00 O ATOM 1618 CB ILE A 879 11.811 -10.624 6.137 1.00 0.00 C ATOM 1619 CG1 ILE A 879 12.581 -9.330 6.392 1.00 0.00 C ATOM 1620 CG2 ILE A 879 11.779 -10.938 4.646 1.00 0.00 C ATOM 1621 CD1 ILE A 879 14.078 -9.475 6.213 1.00 0.00 C ATOM 0 H ILE A 879 11.299 -10.537 8.598 1.00 0.00 H new ATOM 0 HA ILE A 879 9.943 -9.589 6.354 1.00 0.00 H new ATOM 0 HB ILE A 879 12.323 -11.441 6.645 1.00 0.00 H new ATOM 0 HG12 ILE A 879 12.215 -8.559 5.715 1.00 0.00 H new ATOM 0 HG13 ILE A 879 12.375 -8.988 7.406 1.00 0.00 H new ATOM 0 HG21 ILE A 879 12.799 -11.004 4.266 1.00 0.00 H new ATOM 0 HG22 ILE A 879 11.269 -11.888 4.485 1.00 0.00 H new ATOM 0 HG23 ILE A 879 11.246 -10.147 4.119 1.00 0.00 H new ATOM 0 HD11 ILE A 879 14.562 -8.518 6.410 1.00 0.00 H new ATOM 0 HD12 ILE A 879 14.457 -10.223 6.909 1.00 0.00 H new ATOM 0 HD13 ILE A 879 14.294 -9.788 5.191 1.00 0.00 H new ATOM 1633 N SER A 880 9.811 -12.861 6.846 1.00 0.00 N ATOM 1634 CA SER A 880 9.078 -14.076 6.535 1.00 0.00 C ATOM 1635 C SER A 880 7.617 -13.967 6.989 1.00 0.00 C ATOM 1636 O SER A 880 6.732 -14.577 6.399 1.00 0.00 O ATOM 1637 CB SER A 880 9.765 -15.270 7.195 1.00 0.00 C ATOM 1638 OG SER A 880 11.178 -15.127 7.137 1.00 0.00 O ATOM 0 H SER A 880 10.527 -12.975 7.564 1.00 0.00 H new ATOM 0 HA SER A 880 9.076 -14.220 5.455 1.00 0.00 H new ATOM 0 HB2 SER A 880 9.444 -15.353 8.234 1.00 0.00 H new ATOM 0 HB3 SER A 880 9.466 -16.191 6.695 1.00 0.00 H new ATOM 0 HG SER A 880 11.471 -14.490 7.822 1.00 0.00 H new ATOM 1644 N ASP A 881 7.377 -13.178 8.032 1.00 0.00 N ATOM 1645 CA ASP A 881 6.022 -12.948 8.547 1.00 0.00 C ATOM 1646 C ASP A 881 5.202 -12.128 7.555 1.00 0.00 C ATOM 1647 O ASP A 881 4.023 -12.391 7.336 1.00 0.00 O ATOM 1648 CB ASP A 881 6.079 -12.209 9.891 1.00 0.00 C ATOM 1649 CG ASP A 881 5.846 -13.113 11.085 1.00 0.00 C ATOM 1650 OD1 ASP A 881 5.878 -14.349 10.928 1.00 0.00 O ATOM 1651 OD2 ASP A 881 5.647 -12.587 12.201 1.00 0.00 O ATOM 0 H ASP A 881 8.106 -12.682 8.544 1.00 0.00 H new ATOM 0 HA ASP A 881 5.546 -13.918 8.688 1.00 0.00 H new ATOM 0 HB2 ASP A 881 7.052 -11.729 9.992 1.00 0.00 H new ATOM 0 HB3 ASP A 881 5.331 -11.416 9.893 1.00 0.00 H new ATOM 1656 N ILE A 882 5.829 -11.126 6.958 1.00 0.00 N ATOM 1657 CA ILE A 882 5.178 -10.329 5.927 1.00 0.00 C ATOM 1658 C ILE A 882 4.971 -11.169 4.673 1.00 0.00 C ATOM 1659 O ILE A 882 3.968 -11.028 3.969 1.00 0.00 O ATOM 1660 CB ILE A 882 5.996 -9.063 5.583 1.00 0.00 C ATOM 1661 CG1 ILE A 882 6.132 -8.170 6.820 1.00 0.00 C ATOM 1662 CG2 ILE A 882 5.344 -8.291 4.443 1.00 0.00 C ATOM 1663 CD1 ILE A 882 7.037 -6.972 6.616 1.00 0.00 C ATOM 0 H ILE A 882 6.787 -10.845 7.169 1.00 0.00 H new ATOM 0 HA ILE A 882 4.212 -10.007 6.316 1.00 0.00 H new ATOM 0 HB ILE A 882 6.990 -9.373 5.260 1.00 0.00 H new ATOM 0 HG12 ILE A 882 5.142 -7.820 7.114 1.00 0.00 H new ATOM 0 HG13 ILE A 882 6.517 -8.767 7.647 1.00 0.00 H new ATOM 0 HG21 ILE A 882 5.937 -7.404 4.218 1.00 0.00 H new ATOM 0 HG22 ILE A 882 5.290 -8.925 3.558 1.00 0.00 H new ATOM 0 HG23 ILE A 882 4.338 -7.990 4.736 1.00 0.00 H new ATOM 0 HD11 ILE A 882 7.082 -6.389 7.536 1.00 0.00 H new ATOM 0 HD12 ILE A 882 8.038 -7.313 6.353 1.00 0.00 H new ATOM 0 HD13 ILE A 882 6.643 -6.351 5.812 1.00 0.00 H new ATOM 1675 N ASP A 883 5.908 -12.071 4.426 1.00 0.00 N ATOM 1676 CA ASP A 883 5.857 -12.924 3.252 1.00 0.00 C ATOM 1677 C ASP A 883 4.720 -13.916 3.393 1.00 0.00 C ATOM 1678 O ASP A 883 3.917 -14.099 2.478 1.00 0.00 O ATOM 1679 CB ASP A 883 7.184 -13.661 3.086 1.00 0.00 C ATOM 1680 CG ASP A 883 7.068 -14.914 2.242 1.00 0.00 C ATOM 1681 OD1 ASP A 883 6.986 -14.803 1.006 1.00 0.00 O ATOM 1682 OD2 ASP A 883 7.061 -16.024 2.814 1.00 0.00 O ATOM 0 H ASP A 883 6.716 -12.231 5.027 1.00 0.00 H new ATOM 0 HA ASP A 883 5.685 -12.311 2.367 1.00 0.00 H new ATOM 0 HB2 ASP A 883 7.911 -12.989 2.630 1.00 0.00 H new ATOM 0 HB3 ASP A 883 7.570 -13.928 4.070 1.00 0.00 H new ATOM 1687 N SER A 884 4.651 -14.526 4.564 1.00 0.00 N ATOM 1688 CA SER A 884 3.607 -15.475 4.883 1.00 0.00 C ATOM 1689 C SER A 884 2.245 -14.783 4.889 1.00 0.00 C ATOM 1690 O SER A 884 1.233 -15.378 4.517 1.00 0.00 O ATOM 1691 CB SER A 884 3.904 -16.105 6.243 1.00 0.00 C ATOM 1692 OG SER A 884 4.269 -15.126 7.190 1.00 0.00 O ATOM 0 H SER A 884 5.320 -14.375 5.319 1.00 0.00 H new ATOM 0 HA SER A 884 3.579 -16.258 4.126 1.00 0.00 H new ATOM 0 HB2 SER A 884 3.026 -16.646 6.596 1.00 0.00 H new ATOM 0 HB3 SER A 884 4.708 -16.834 6.141 1.00 0.00 H new ATOM 0 HG SER A 884 5.243 -15.021 7.193 1.00 0.00 H new ATOM 1698 N TYR A 885 2.244 -13.512 5.291 1.00 0.00 N ATOM 1699 CA TYR A 885 1.028 -12.698 5.310 1.00 0.00 C ATOM 1700 C TYR A 885 0.489 -12.535 3.904 1.00 0.00 C ATOM 1701 O TYR A 885 -0.668 -12.838 3.608 1.00 0.00 O ATOM 1702 CB TYR A 885 1.326 -11.309 5.869 1.00 0.00 C ATOM 1703 CG TYR A 885 0.245 -10.759 6.777 1.00 0.00 C ATOM 1704 CD1 TYR A 885 -0.123 -11.417 7.945 1.00 0.00 C ATOM 1705 CD2 TYR A 885 -0.410 -9.573 6.459 1.00 0.00 C ATOM 1706 CE1 TYR A 885 -1.111 -10.908 8.769 1.00 0.00 C ATOM 1707 CE2 TYR A 885 -1.396 -9.059 7.279 1.00 0.00 C ATOM 1708 CZ TYR A 885 -1.744 -9.729 8.430 1.00 0.00 C ATOM 1709 OH TYR A 885 -2.722 -9.216 9.252 1.00 0.00 O ATOM 0 H TYR A 885 3.079 -13.021 5.610 1.00 0.00 H new ATOM 0 HA TYR A 885 0.295 -13.203 5.939 1.00 0.00 H new ATOM 0 HB2 TYR A 885 2.265 -11.346 6.422 1.00 0.00 H new ATOM 0 HB3 TYR A 885 1.472 -10.619 5.038 1.00 0.00 H new ATOM 0 HD1 TYR A 885 0.370 -12.340 8.213 1.00 0.00 H new ATOM 0 HD2 TYR A 885 -0.143 -9.045 5.555 1.00 0.00 H new ATOM 0 HE1 TYR A 885 -1.386 -11.431 9.673 1.00 0.00 H new ATOM 0 HE2 TYR A 885 -1.892 -8.136 7.018 1.00 0.00 H new ATOM 0 HH TYR A 885 -2.538 -9.473 10.180 1.00 0.00 H new ATOM 1719 N VAL A 886 1.354 -12.043 3.046 1.00 0.00 N ATOM 1720 CA VAL A 886 1.024 -11.806 1.662 1.00 0.00 C ATOM 1721 C VAL A 886 0.655 -13.118 0.968 1.00 0.00 C ATOM 1722 O VAL A 886 -0.300 -13.175 0.194 1.00 0.00 O ATOM 1723 CB VAL A 886 2.219 -11.114 0.973 1.00 0.00 C ATOM 1724 CG1 VAL A 886 2.414 -11.581 -0.463 1.00 0.00 C ATOM 1725 CG2 VAL A 886 2.049 -9.606 1.029 1.00 0.00 C ATOM 0 H VAL A 886 2.312 -11.795 3.292 1.00 0.00 H new ATOM 0 HA VAL A 886 0.155 -11.152 1.594 1.00 0.00 H new ATOM 0 HB VAL A 886 3.119 -11.396 1.519 1.00 0.00 H new ATOM 0 HG11 VAL A 886 3.267 -11.063 -0.901 1.00 0.00 H new ATOM 0 HG12 VAL A 886 2.596 -12.656 -0.475 1.00 0.00 H new ATOM 0 HG13 VAL A 886 1.518 -11.359 -1.043 1.00 0.00 H new ATOM 0 HG21 VAL A 886 2.897 -9.126 0.540 1.00 0.00 H new ATOM 0 HG22 VAL A 886 1.128 -9.324 0.518 1.00 0.00 H new ATOM 0 HG23 VAL A 886 1.999 -9.284 2.069 1.00 0.00 H new ATOM 1735 N LYS A 887 1.384 -14.179 1.300 1.00 0.00 N ATOM 1736 CA LYS A 887 1.156 -15.485 0.695 1.00 0.00 C ATOM 1737 C LYS A 887 -0.220 -16.041 1.053 1.00 0.00 C ATOM 1738 O LYS A 887 -0.838 -16.730 0.243 1.00 0.00 O ATOM 1739 CB LYS A 887 2.247 -16.465 1.117 1.00 0.00 C ATOM 1740 CG LYS A 887 3.394 -16.538 0.126 1.00 0.00 C ATOM 1741 CD LYS A 887 4.328 -17.692 0.438 1.00 0.00 C ATOM 1742 CE LYS A 887 5.663 -17.535 -0.271 1.00 0.00 C ATOM 1743 NZ LYS A 887 6.801 -17.617 0.678 1.00 0.00 N ATOM 0 H LYS A 887 2.139 -14.159 1.986 1.00 0.00 H new ATOM 0 HA LYS A 887 1.191 -15.356 -0.387 1.00 0.00 H new ATOM 0 HB2 LYS A 887 2.635 -16.171 2.092 1.00 0.00 H new ATOM 0 HB3 LYS A 887 1.811 -17.457 1.234 1.00 0.00 H new ATOM 0 HG2 LYS A 887 2.997 -16.652 -0.883 1.00 0.00 H new ATOM 0 HG3 LYS A 887 3.952 -15.602 0.145 1.00 0.00 H new ATOM 0 HD2 LYS A 887 4.491 -17.749 1.514 1.00 0.00 H new ATOM 0 HD3 LYS A 887 3.862 -18.630 0.136 1.00 0.00 H new ATOM 0 HE2 LYS A 887 5.765 -18.311 -1.030 1.00 0.00 H new ATOM 0 HE3 LYS A 887 5.689 -16.576 -0.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 887 7.596 -17.052 0.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 887 6.507 -17.249 1.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 887 7.099 -18.608 0.778 1.00 0.00 H new ATOM 1757 N SER A 888 -0.702 -15.745 2.257 1.00 0.00 N ATOM 1758 CA SER A 888 -2.037 -16.180 2.653 1.00 0.00 C ATOM 1759 C SER A 888 -3.098 -15.261 2.051 1.00 0.00 C ATOM 1760 O SER A 888 -4.231 -15.680 1.810 1.00 0.00 O ATOM 1761 CB SER A 888 -2.176 -16.222 4.177 1.00 0.00 C ATOM 1762 OG SER A 888 -1.342 -15.265 4.801 1.00 0.00 O ATOM 0 H SER A 888 -0.196 -15.214 2.966 1.00 0.00 H new ATOM 0 HA SER A 888 -2.187 -17.190 2.271 1.00 0.00 H new ATOM 0 HB2 SER A 888 -3.214 -16.037 4.454 1.00 0.00 H new ATOM 0 HB3 SER A 888 -1.922 -17.218 4.539 1.00 0.00 H new ATOM 0 HG SER A 888 -0.438 -15.631 4.895 1.00 0.00 H new ATOM 1768 N LEU A 889 -2.717 -14.012 1.803 1.00 0.00 N ATOM 1769 CA LEU A 889 -3.625 -13.037 1.213 1.00 0.00 C ATOM 1770 C LEU A 889 -4.055 -13.468 -0.187 1.00 0.00 C ATOM 1771 O LEU A 889 -5.244 -13.450 -0.509 1.00 0.00 O ATOM 1772 CB LEU A 889 -2.970 -11.655 1.159 1.00 0.00 C ATOM 1773 CG LEU A 889 -3.490 -10.651 2.190 1.00 0.00 C ATOM 1774 CD1 LEU A 889 -2.337 -9.895 2.829 1.00 0.00 C ATOM 1775 CD2 LEU A 889 -4.469 -9.684 1.543 1.00 0.00 C ATOM 0 H LEU A 889 -1.784 -13.652 2.002 1.00 0.00 H new ATOM 0 HA LEU A 889 -4.512 -12.981 1.844 1.00 0.00 H new ATOM 0 HB2 LEU A 889 -1.896 -11.773 1.299 1.00 0.00 H new ATOM 0 HB3 LEU A 889 -3.117 -11.239 0.163 1.00 0.00 H new ATOM 0 HG LEU A 889 -4.014 -11.201 2.972 1.00 0.00 H new ATOM 0 HD11 LEU A 889 -2.727 -9.186 3.559 1.00 0.00 H new ATOM 0 HD12 LEU A 889 -1.671 -10.600 3.327 1.00 0.00 H new ATOM 0 HD13 LEU A 889 -1.784 -9.356 2.059 1.00 0.00 H new ATOM 0 HD21 LEU A 889 -4.829 -8.977 2.290 1.00 0.00 H new ATOM 0 HD22 LEU A 889 -3.968 -9.141 0.741 1.00 0.00 H new ATOM 0 HD23 LEU A 889 -5.312 -10.240 1.133 1.00 0.00 H new ATOM 1787 N LEU A 890 -3.091 -13.856 -1.015 1.00 0.00 N ATOM 1788 CA LEU A 890 -3.402 -14.324 -2.363 1.00 0.00 C ATOM 1789 C LEU A 890 -3.892 -15.767 -2.321 1.00 0.00 C ATOM 1790 O LEU A 890 -3.051 -16.683 -2.207 1.00 0.00 O ATOM 1791 CB LEU A 890 -2.190 -14.212 -3.295 1.00 0.00 C ATOM 1792 CG LEU A 890 -0.875 -13.801 -2.633 1.00 0.00 C ATOM 1793 CD1 LEU A 890 0.197 -14.851 -2.879 1.00 0.00 C ATOM 1794 CD2 LEU A 890 -0.422 -12.443 -3.149 1.00 0.00 C ATOM 1795 OXT LEU A 890 -5.121 -15.984 -2.381 1.00 0.00 O ATOM 0 H LEU A 890 -2.098 -13.857 -0.781 1.00 0.00 H new ATOM 0 HA LEU A 890 -4.191 -13.685 -2.759 1.00 0.00 H new ATOM 0 HB2 LEU A 890 -2.043 -15.174 -3.785 1.00 0.00 H new ATOM 0 HB3 LEU A 890 -2.423 -13.489 -4.077 1.00 0.00 H new ATOM 0 HG LEU A 890 -1.039 -13.724 -1.558 1.00 0.00 H new ATOM 0 HD11 LEU A 890 1.126 -14.541 -2.400 1.00 0.00 H new ATOM 0 HD12 LEU A 890 -0.126 -15.805 -2.462 1.00 0.00 H new ATOM 0 HD13 LEU A 890 0.360 -14.960 -3.951 1.00 0.00 H new ATOM 0 HD21 LEU A 890 0.516 -12.165 -2.668 1.00 0.00 H new ATOM 0 HD22 LEU A 890 -0.275 -12.494 -4.228 1.00 0.00 H new ATOM 0 HD23 LEU A 890 -1.182 -11.695 -2.922 1.00 0.00 H new