USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 703 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 802 ASN : amide:sc= 1.09 K(o=1.1,f=-0.84) USER MOD Single : A 804 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 806 HIS : no HD1:sc= -0.268 X(o=-0.27,f=-0.06) USER MOD Single : A 808 SER OG : rot -90:sc= 1.26 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 65:sc= 1.3 USER MOD Single : A 823 LYS NZ :NH3+ -129:sc= 1.27 (180deg=-0.179) USER MOD Single : A 826 TYR OH : rot 30:sc= 0 USER MOD Single : A 827 THR OG1 : rot 69:sc= 1.2 USER MOD Single : A 831 THR OG1 : rot 180:sc= -0.421 USER MOD Single : A 832 SER OG : rot 180:sc= 0 USER MOD Single : A 839 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 840 THR OG1 : rot 85:sc= 1.21 USER MOD Single : A 842 HIS : no HE2:sc= 1.03 K(o=1,f=-5.8!) USER MOD Single : A 845 LYS NZ :NH3+ -178:sc= 2.21 (180deg=2.08) USER MOD Single : A 850 MET CE :methyl -170:sc= -0.39 (180deg=-0.428) USER MOD Single : A 852 ASN : amide:sc= 0.778 K(o=0.78,f=-0.38) USER MOD Single : A 857 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 858 GLN : amide:sc= -0.311 K(o=-0.31,f=-3.2!) USER MOD Single : A 860 CYS SG : rot -55:sc= -6.25! USER MOD Single : A 862 THR OG1 : rot 86:sc= 1.26 USER MOD Single : A 865 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 870 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 877 LYS NZ :NH3+ -127:sc= 0.156 (180deg=0) USER MOD Single : A 878 TYR OH : rot 180:sc= 0 USER MOD Single : A 880 SER OG : rot -75:sc= 0.651 USER MOD Single : A 884 SER OG : rot -89:sc= -0.158 USER MOD Single : A 885 TYR OH : rot -130:sc= -2.47! USER MOD Single : A 887 LYS NZ :NH3+ 139:sc= 1.13 (180deg=-0.811) USER MOD Single : A 888 SER OG : rot 89:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 406 N ASN A 802 -8.805 -8.899 1.111 1.00 0.00 N ATOM 407 CA ASN A 802 -8.407 -9.391 -0.211 1.00 0.00 C ATOM 408 C ASN A 802 -9.359 -8.893 -1.296 1.00 0.00 C ATOM 409 O ASN A 802 -8.923 -8.388 -2.334 1.00 0.00 O ATOM 410 CB ASN A 802 -8.352 -10.931 -0.207 1.00 0.00 C ATOM 411 CG ASN A 802 -8.577 -11.554 -1.579 1.00 0.00 C ATOM 412 OD1 ASN A 802 -9.715 -11.685 -2.041 1.00 0.00 O ATOM 413 ND2 ASN A 802 -7.502 -11.962 -2.232 1.00 0.00 N ATOM 0 HA ASN A 802 -7.414 -9.001 -0.435 1.00 0.00 H new ATOM 0 HB2 ASN A 802 -7.382 -11.250 0.173 1.00 0.00 H new ATOM 0 HB3 ASN A 802 -9.105 -11.311 0.483 1.00 0.00 H new ATOM 0 HD21 ASN A 802 -7.598 -12.401 -3.148 1.00 0.00 H new ATOM 0 HD22 ASN A 802 -6.577 -11.838 -1.820 1.00 0.00 H new ATOM 420 N ALA A 803 -10.656 -9.018 -1.041 1.00 0.00 N ATOM 421 CA ALA A 803 -11.660 -8.652 -2.027 1.00 0.00 C ATOM 422 C ALA A 803 -11.677 -7.149 -2.257 1.00 0.00 C ATOM 423 O ALA A 803 -11.723 -6.689 -3.398 1.00 0.00 O ATOM 424 CB ALA A 803 -13.032 -9.142 -1.594 1.00 0.00 C ATOM 0 H ALA A 803 -11.034 -9.369 -0.161 1.00 0.00 H new ATOM 0 HA ALA A 803 -11.401 -9.133 -2.970 1.00 0.00 H new ATOM 0 HB1 ALA A 803 -13.772 -8.860 -2.343 1.00 0.00 H new ATOM 0 HB2 ALA A 803 -13.015 -10.227 -1.491 1.00 0.00 H new ATOM 0 HB3 ALA A 803 -13.294 -8.691 -0.637 1.00 0.00 H new ATOM 430 N GLN A 804 -11.616 -6.383 -1.172 1.00 0.00 N ATOM 431 CA GLN A 804 -11.620 -4.930 -1.266 1.00 0.00 C ATOM 432 C GLN A 804 -10.358 -4.436 -1.970 1.00 0.00 C ATOM 433 O GLN A 804 -10.395 -3.456 -2.715 1.00 0.00 O ATOM 434 CB GLN A 804 -11.736 -4.304 0.124 1.00 0.00 C ATOM 435 CG GLN A 804 -13.141 -4.372 0.701 1.00 0.00 C ATOM 436 CD GLN A 804 -13.414 -3.285 1.721 1.00 0.00 C ATOM 437 OE1 GLN A 804 -13.689 -2.137 1.369 1.00 0.00 O ATOM 438 NE2 GLN A 804 -13.341 -3.635 2.996 1.00 0.00 N ATOM 0 H GLN A 804 -11.563 -6.745 -0.220 1.00 0.00 H new ATOM 0 HA GLN A 804 -12.485 -4.626 -1.855 1.00 0.00 H new ATOM 0 HB2 GLN A 804 -11.048 -4.810 0.801 1.00 0.00 H new ATOM 0 HB3 GLN A 804 -11.422 -3.261 0.072 1.00 0.00 H new ATOM 0 HG2 GLN A 804 -13.865 -4.292 -0.110 1.00 0.00 H new ATOM 0 HG3 GLN A 804 -13.290 -5.346 1.167 1.00 0.00 H new ATOM 0 HE21 GLN A 804 -13.110 -4.596 3.249 1.00 0.00 H new ATOM 0 HE22 GLN A 804 -13.515 -2.944 3.725 1.00 0.00 H new ATOM 447 N LEU A 805 -9.247 -5.133 -1.741 1.00 0.00 N ATOM 448 CA LEU A 805 -7.985 -4.811 -2.397 1.00 0.00 C ATOM 449 C LEU A 805 -8.084 -5.078 -3.899 1.00 0.00 C ATOM 450 O LEU A 805 -7.489 -4.369 -4.715 1.00 0.00 O ATOM 451 CB LEU A 805 -6.845 -5.624 -1.772 1.00 0.00 C ATOM 452 CG LEU A 805 -5.632 -5.860 -2.654 1.00 0.00 C ATOM 453 CD1 LEU A 805 -4.675 -4.680 -2.579 1.00 0.00 C ATOM 454 CD2 LEU A 805 -4.931 -7.147 -2.255 1.00 0.00 C ATOM 0 H LEU A 805 -9.197 -5.927 -1.103 1.00 0.00 H new ATOM 0 HA LEU A 805 -7.771 -3.752 -2.254 1.00 0.00 H new ATOM 0 HB2 LEU A 805 -6.517 -5.114 -0.866 1.00 0.00 H new ATOM 0 HB3 LEU A 805 -7.241 -6.593 -1.467 1.00 0.00 H new ATOM 0 HG LEU A 805 -5.969 -5.957 -3.686 1.00 0.00 H new ATOM 0 HD11 LEU A 805 -3.813 -4.870 -3.218 1.00 0.00 H new ATOM 0 HD12 LEU A 805 -5.184 -3.777 -2.915 1.00 0.00 H new ATOM 0 HD13 LEU A 805 -4.341 -4.547 -1.550 1.00 0.00 H new ATOM 0 HD21 LEU A 805 -4.063 -7.303 -2.896 1.00 0.00 H new ATOM 0 HD22 LEU A 805 -4.607 -7.078 -1.217 1.00 0.00 H new ATOM 0 HD23 LEU A 805 -5.619 -7.985 -2.365 1.00 0.00 H new ATOM 466 N HIS A 806 -8.843 -6.102 -4.259 1.00 0.00 N ATOM 467 CA HIS A 806 -9.092 -6.403 -5.662 1.00 0.00 C ATOM 468 C HIS A 806 -10.029 -5.364 -6.271 1.00 0.00 C ATOM 469 O HIS A 806 -9.789 -4.873 -7.372 1.00 0.00 O ATOM 470 CB HIS A 806 -9.692 -7.805 -5.812 1.00 0.00 C ATOM 471 CG HIS A 806 -9.347 -8.467 -7.111 1.00 0.00 C ATOM 472 ND1 HIS A 806 -9.954 -9.622 -7.553 1.00 0.00 N ATOM 473 CD2 HIS A 806 -8.449 -8.131 -8.066 1.00 0.00 C ATOM 474 CE1 HIS A 806 -9.444 -9.965 -8.721 1.00 0.00 C ATOM 475 NE2 HIS A 806 -8.529 -9.077 -9.056 1.00 0.00 N ATOM 0 H HIS A 806 -9.296 -6.737 -3.602 1.00 0.00 H new ATOM 0 HA HIS A 806 -8.141 -6.372 -6.193 1.00 0.00 H new ATOM 0 HB2 HIS A 806 -9.343 -8.431 -4.991 1.00 0.00 H new ATOM 0 HB3 HIS A 806 -10.776 -7.739 -5.724 1.00 0.00 H new ATOM 0 HD2 HIS A 806 -7.790 -7.275 -8.051 1.00 0.00 H new ATOM 0 HE1 HIS A 806 -9.728 -10.828 -9.304 1.00 0.00 H new ATOM 0 HE2 HIS A 806 -7.972 -9.091 -9.911 1.00 0.00 H new ATOM 484 N ALA A 807 -11.076 -5.022 -5.529 1.00 0.00 N ATOM 485 CA ALA A 807 -12.099 -4.094 -6.000 1.00 0.00 C ATOM 486 C ALA A 807 -11.528 -2.703 -6.272 1.00 0.00 C ATOM 487 O ALA A 807 -11.949 -2.026 -7.212 1.00 0.00 O ATOM 488 CB ALA A 807 -13.230 -4.010 -4.986 1.00 0.00 C ATOM 0 H ALA A 807 -11.240 -5.378 -4.587 1.00 0.00 H new ATOM 0 HA ALA A 807 -12.485 -4.478 -6.945 1.00 0.00 H new ATOM 0 HB1 ALA A 807 -13.990 -3.315 -5.345 1.00 0.00 H new ATOM 0 HB2 ALA A 807 -13.674 -4.997 -4.854 1.00 0.00 H new ATOM 0 HB3 ALA A 807 -12.838 -3.658 -4.032 1.00 0.00 H new ATOM 494 N SER A 808 -10.562 -2.283 -5.462 1.00 0.00 N ATOM 495 CA SER A 808 -9.959 -0.962 -5.615 1.00 0.00 C ATOM 496 C SER A 808 -9.064 -0.908 -6.853 1.00 0.00 C ATOM 497 O SER A 808 -8.726 0.171 -7.348 1.00 0.00 O ATOM 498 CB SER A 808 -9.150 -0.605 -4.367 1.00 0.00 C ATOM 499 OG SER A 808 -8.622 -1.769 -3.758 1.00 0.00 O ATOM 0 H SER A 808 -10.180 -2.836 -4.695 1.00 0.00 H new ATOM 0 HA SER A 808 -10.761 -0.235 -5.742 1.00 0.00 H new ATOM 0 HB2 SER A 808 -8.338 0.070 -4.636 1.00 0.00 H new ATOM 0 HB3 SER A 808 -9.784 -0.074 -3.657 1.00 0.00 H new ATOM 0 HG SER A 808 -9.260 -2.111 -3.098 1.00 0.00 H new ATOM 505 N GLY A 809 -8.678 -2.080 -7.346 1.00 0.00 N ATOM 506 CA GLY A 809 -7.834 -2.155 -8.522 1.00 0.00 C ATOM 507 C GLY A 809 -6.365 -2.059 -8.182 1.00 0.00 C ATOM 508 O GLY A 809 -5.505 -2.219 -9.049 1.00 0.00 O ATOM 0 H GLY A 809 -8.937 -2.983 -6.949 1.00 0.00 H new ATOM 0 HA2 GLY A 809 -8.023 -3.094 -9.043 1.00 0.00 H new ATOM 0 HA3 GLY A 809 -8.099 -1.351 -9.208 1.00 0.00 H new ATOM 512 N TYR A 810 -6.069 -1.819 -6.910 1.00 0.00 N ATOM 513 CA TYR A 810 -4.690 -1.667 -6.467 1.00 0.00 C ATOM 514 C TYR A 810 -4.047 -3.032 -6.256 1.00 0.00 C ATOM 515 O TYR A 810 -2.875 -3.132 -5.893 1.00 0.00 O ATOM 516 CB TYR A 810 -4.624 -0.830 -5.187 1.00 0.00 C ATOM 517 CG TYR A 810 -4.782 0.659 -5.428 1.00 0.00 C ATOM 518 CD1 TYR A 810 -4.968 1.163 -6.711 1.00 0.00 C ATOM 519 CD2 TYR A 810 -4.749 1.560 -4.372 1.00 0.00 C ATOM 520 CE1 TYR A 810 -5.115 2.516 -6.933 1.00 0.00 C ATOM 521 CE2 TYR A 810 -4.898 2.917 -4.586 1.00 0.00 C ATOM 522 CZ TYR A 810 -5.080 3.389 -5.869 1.00 0.00 C ATOM 523 OH TYR A 810 -5.233 4.738 -6.090 1.00 0.00 O ATOM 0 H TYR A 810 -6.764 -1.726 -6.169 1.00 0.00 H new ATOM 0 HA TYR A 810 -4.133 -1.142 -7.243 1.00 0.00 H new ATOM 0 HB2 TYR A 810 -5.405 -1.164 -4.503 1.00 0.00 H new ATOM 0 HB3 TYR A 810 -3.669 -1.011 -4.693 1.00 0.00 H new ATOM 0 HD1 TYR A 810 -4.998 0.482 -7.549 1.00 0.00 H new ATOM 0 HD2 TYR A 810 -4.604 1.194 -3.366 1.00 0.00 H new ATOM 0 HE1 TYR A 810 -5.257 2.889 -7.937 1.00 0.00 H new ATOM 0 HE2 TYR A 810 -4.872 3.604 -3.753 1.00 0.00 H new ATOM 0 HH TYR A 810 -5.185 5.217 -5.236 1.00 0.00 H new ATOM 533 N TYR A 811 -4.835 -4.075 -6.493 1.00 0.00 N ATOM 534 CA TYR A 811 -4.357 -5.452 -6.461 1.00 0.00 C ATOM 535 C TYR A 811 -3.134 -5.612 -7.359 1.00 0.00 C ATOM 536 O TYR A 811 -2.162 -6.271 -6.991 1.00 0.00 O ATOM 537 CB TYR A 811 -5.474 -6.384 -6.935 1.00 0.00 C ATOM 538 CG TYR A 811 -5.356 -7.810 -6.441 1.00 0.00 C ATOM 539 CD1 TYR A 811 -4.554 -8.731 -7.100 1.00 0.00 C ATOM 540 CD2 TYR A 811 -6.068 -8.239 -5.330 1.00 0.00 C ATOM 541 CE1 TYR A 811 -4.464 -10.038 -6.665 1.00 0.00 C ATOM 542 CE2 TYR A 811 -5.979 -9.543 -4.886 1.00 0.00 C ATOM 543 CZ TYR A 811 -5.178 -10.439 -5.559 1.00 0.00 C ATOM 544 OH TYR A 811 -5.103 -11.743 -5.129 1.00 0.00 O ATOM 0 H TYR A 811 -5.827 -3.989 -6.714 1.00 0.00 H new ATOM 0 HA TYR A 811 -4.073 -5.708 -5.440 1.00 0.00 H new ATOM 0 HB2 TYR A 811 -6.431 -5.978 -6.608 1.00 0.00 H new ATOM 0 HB3 TYR A 811 -5.486 -6.391 -8.025 1.00 0.00 H new ATOM 0 HD1 TYR A 811 -3.991 -8.420 -7.968 1.00 0.00 H new ATOM 0 HD2 TYR A 811 -6.702 -7.541 -4.804 1.00 0.00 H new ATOM 0 HE1 TYR A 811 -3.836 -10.743 -7.190 1.00 0.00 H new ATOM 0 HE2 TYR A 811 -6.535 -9.859 -4.015 1.00 0.00 H new ATOM 0 HH TYR A 811 -5.667 -11.859 -4.336 1.00 0.00 H new ATOM 554 N ALA A 812 -3.194 -4.984 -8.530 1.00 0.00 N ATOM 555 CA ALA A 812 -2.109 -5.042 -9.500 1.00 0.00 C ATOM 556 C ALA A 812 -0.812 -4.506 -8.907 1.00 0.00 C ATOM 557 O ALA A 812 0.246 -5.112 -9.059 1.00 0.00 O ATOM 558 CB ALA A 812 -2.484 -4.259 -10.750 1.00 0.00 C ATOM 0 H ALA A 812 -3.992 -4.424 -8.830 1.00 0.00 H new ATOM 0 HA ALA A 812 -1.948 -6.086 -9.769 1.00 0.00 H new ATOM 0 HB1 ALA A 812 -1.666 -4.308 -11.469 1.00 0.00 H new ATOM 0 HB2 ALA A 812 -3.383 -4.689 -11.192 1.00 0.00 H new ATOM 0 HB3 ALA A 812 -2.672 -3.219 -10.485 1.00 0.00 H new ATOM 564 N LEU A 813 -0.909 -3.374 -8.221 1.00 0.00 N ATOM 565 CA LEU A 813 0.246 -2.763 -7.573 1.00 0.00 C ATOM 566 C LEU A 813 0.740 -3.647 -6.436 1.00 0.00 C ATOM 567 O LEU A 813 1.939 -3.868 -6.281 1.00 0.00 O ATOM 568 CB LEU A 813 -0.122 -1.384 -7.023 1.00 0.00 C ATOM 569 CG LEU A 813 0.403 -0.196 -7.829 1.00 0.00 C ATOM 570 CD1 LEU A 813 -0.614 0.935 -7.824 1.00 0.00 C ATOM 571 CD2 LEU A 813 1.736 0.280 -7.270 1.00 0.00 C ATOM 0 H LEU A 813 -1.780 -2.858 -8.098 1.00 0.00 H new ATOM 0 HA LEU A 813 1.038 -2.653 -8.314 1.00 0.00 H new ATOM 0 HB2 LEU A 813 -1.208 -1.312 -6.967 1.00 0.00 H new ATOM 0 HB3 LEU A 813 0.256 -1.305 -6.004 1.00 0.00 H new ATOM 0 HG LEU A 813 0.559 -0.516 -8.859 1.00 0.00 H new ATOM 0 HD11 LEU A 813 -0.227 1.775 -8.402 1.00 0.00 H new ATOM 0 HD12 LEU A 813 -1.547 0.588 -8.269 1.00 0.00 H new ATOM 0 HD13 LEU A 813 -0.798 1.254 -6.798 1.00 0.00 H new ATOM 0 HD21 LEU A 813 2.095 1.126 -7.856 1.00 0.00 H new ATOM 0 HD22 LEU A 813 1.607 0.586 -6.232 1.00 0.00 H new ATOM 0 HD23 LEU A 813 2.462 -0.531 -7.321 1.00 0.00 H new ATOM 583 N PHE A 814 -0.209 -4.156 -5.657 1.00 0.00 N ATOM 584 CA PHE A 814 0.084 -4.999 -4.506 1.00 0.00 C ATOM 585 C PHE A 814 0.937 -6.203 -4.900 1.00 0.00 C ATOM 586 O PHE A 814 1.979 -6.458 -4.302 1.00 0.00 O ATOM 587 CB PHE A 814 -1.229 -5.466 -3.866 1.00 0.00 C ATOM 588 CG PHE A 814 -1.052 -6.426 -2.724 1.00 0.00 C ATOM 589 CD1 PHE A 814 -0.531 -6.000 -1.514 1.00 0.00 C ATOM 590 CD2 PHE A 814 -1.413 -7.756 -2.864 1.00 0.00 C ATOM 591 CE1 PHE A 814 -0.370 -6.884 -0.466 1.00 0.00 C ATOM 592 CE2 PHE A 814 -1.255 -8.644 -1.819 1.00 0.00 C ATOM 593 CZ PHE A 814 -0.733 -8.208 -0.619 1.00 0.00 C ATOM 0 H PHE A 814 -1.205 -3.994 -5.807 1.00 0.00 H new ATOM 0 HA PHE A 814 0.654 -4.412 -3.786 1.00 0.00 H new ATOM 0 HB2 PHE A 814 -1.777 -4.593 -3.510 1.00 0.00 H new ATOM 0 HB3 PHE A 814 -1.845 -5.939 -4.631 1.00 0.00 H new ATOM 0 HD1 PHE A 814 -0.248 -4.965 -1.389 1.00 0.00 H new ATOM 0 HD2 PHE A 814 -1.823 -8.102 -3.801 1.00 0.00 H new ATOM 0 HE1 PHE A 814 0.039 -6.541 0.473 1.00 0.00 H new ATOM 0 HE2 PHE A 814 -1.540 -9.679 -1.941 1.00 0.00 H new ATOM 0 HZ PHE A 814 -0.608 -8.901 0.200 1.00 0.00 H new ATOM 603 N VAL A 815 0.501 -6.930 -5.916 1.00 0.00 N ATOM 604 CA VAL A 815 1.196 -8.146 -6.323 1.00 0.00 C ATOM 605 C VAL A 815 2.409 -7.840 -7.200 1.00 0.00 C ATOM 606 O VAL A 815 3.224 -8.718 -7.474 1.00 0.00 O ATOM 607 CB VAL A 815 0.257 -9.120 -7.067 1.00 0.00 C ATOM 608 CG1 VAL A 815 -0.912 -9.514 -6.179 1.00 0.00 C ATOM 609 CG2 VAL A 815 -0.243 -8.511 -8.369 1.00 0.00 C ATOM 0 H VAL A 815 -0.324 -6.704 -6.472 1.00 0.00 H new ATOM 0 HA VAL A 815 1.540 -8.623 -5.405 1.00 0.00 H new ATOM 0 HB VAL A 815 0.826 -10.017 -7.312 1.00 0.00 H new ATOM 0 HG11 VAL A 815 -1.564 -10.201 -6.719 1.00 0.00 H new ATOM 0 HG12 VAL A 815 -0.537 -10.002 -5.279 1.00 0.00 H new ATOM 0 HG13 VAL A 815 -1.475 -8.623 -5.901 1.00 0.00 H new ATOM 0 HG21 VAL A 815 -0.902 -9.219 -8.872 1.00 0.00 H new ATOM 0 HG22 VAL A 815 -0.791 -7.594 -8.155 1.00 0.00 H new ATOM 0 HG23 VAL A 815 0.606 -8.284 -9.014 1.00 0.00 H new ATOM 619 N ASP A 816 2.533 -6.595 -7.629 1.00 0.00 N ATOM 620 CA ASP A 816 3.640 -6.201 -8.489 1.00 0.00 C ATOM 621 C ASP A 816 4.918 -6.005 -7.684 1.00 0.00 C ATOM 622 O ASP A 816 5.892 -6.735 -7.865 1.00 0.00 O ATOM 623 CB ASP A 816 3.309 -4.916 -9.251 1.00 0.00 C ATOM 624 CG ASP A 816 4.475 -4.415 -10.077 1.00 0.00 C ATOM 625 OD1 ASP A 816 5.012 -5.191 -10.893 1.00 0.00 O ATOM 626 OD2 ASP A 816 4.863 -3.239 -9.913 1.00 0.00 O ATOM 0 H ASP A 816 1.885 -5.842 -7.398 1.00 0.00 H new ATOM 0 HA ASP A 816 3.799 -7.007 -9.206 1.00 0.00 H new ATOM 0 HB2 ASP A 816 2.455 -5.095 -9.905 1.00 0.00 H new ATOM 0 HB3 ASP A 816 3.012 -4.143 -8.542 1.00 0.00 H new ATOM 631 N THR A 817 4.900 -5.035 -6.781 1.00 0.00 N ATOM 632 CA THR A 817 6.105 -4.650 -6.059 1.00 0.00 C ATOM 633 C THR A 817 6.299 -5.470 -4.783 1.00 0.00 C ATOM 634 O THR A 817 7.370 -6.034 -4.574 1.00 0.00 O ATOM 635 CB THR A 817 6.111 -3.132 -5.722 1.00 0.00 C ATOM 636 OG1 THR A 817 6.829 -2.876 -4.507 1.00 0.00 O ATOM 637 CG2 THR A 817 4.696 -2.587 -5.591 1.00 0.00 C ATOM 0 H THR A 817 4.067 -4.501 -6.531 1.00 0.00 H new ATOM 0 HA THR A 817 6.941 -4.861 -6.726 1.00 0.00 H new ATOM 0 HB THR A 817 6.610 -2.625 -6.548 1.00 0.00 H new ATOM 0 HG1 THR A 817 7.774 -3.103 -4.632 1.00 0.00 H new ATOM 0 HG21 THR A 817 4.736 -1.524 -5.355 1.00 0.00 H new ATOM 0 HG22 THR A 817 4.162 -2.730 -6.531 1.00 0.00 H new ATOM 0 HG23 THR A 817 4.175 -3.116 -4.793 1.00 0.00 H new ATOM 645 N VAL A 818 5.254 -5.570 -3.961 1.00 0.00 N ATOM 646 CA VAL A 818 5.381 -6.104 -2.600 1.00 0.00 C ATOM 647 C VAL A 818 6.078 -7.475 -2.545 1.00 0.00 C ATOM 648 O VAL A 818 7.115 -7.600 -1.895 1.00 0.00 O ATOM 649 CB VAL A 818 4.016 -6.180 -1.881 1.00 0.00 C ATOM 650 CG1 VAL A 818 4.186 -6.677 -0.455 1.00 0.00 C ATOM 651 CG2 VAL A 818 3.330 -4.822 -1.894 1.00 0.00 C ATOM 0 H VAL A 818 4.307 -5.288 -4.213 1.00 0.00 H new ATOM 0 HA VAL A 818 6.019 -5.393 -2.074 1.00 0.00 H new ATOM 0 HB VAL A 818 3.387 -6.890 -2.417 1.00 0.00 H new ATOM 0 HG11 VAL A 818 3.212 -6.723 0.033 1.00 0.00 H new ATOM 0 HG12 VAL A 818 4.633 -7.671 -0.467 1.00 0.00 H new ATOM 0 HG13 VAL A 818 4.835 -5.994 0.093 1.00 0.00 H new ATOM 0 HG21 VAL A 818 2.370 -4.894 -1.383 1.00 0.00 H new ATOM 0 HG22 VAL A 818 3.958 -4.092 -1.384 1.00 0.00 H new ATOM 0 HG23 VAL A 818 3.170 -4.505 -2.925 1.00 0.00 H new ATOM 661 N PRO A 819 5.547 -8.520 -3.216 1.00 0.00 N ATOM 662 CA PRO A 819 6.122 -9.872 -3.135 1.00 0.00 C ATOM 663 C PRO A 819 7.589 -9.916 -3.560 1.00 0.00 C ATOM 664 O PRO A 819 8.442 -10.476 -2.863 1.00 0.00 O ATOM 665 CB PRO A 819 5.263 -10.691 -4.104 1.00 0.00 C ATOM 666 CG PRO A 819 3.992 -9.928 -4.232 1.00 0.00 C ATOM 667 CD PRO A 819 4.367 -8.482 -4.099 1.00 0.00 C ATOM 0 HA PRO A 819 6.113 -10.249 -2.112 1.00 0.00 H new ATOM 0 HB2 PRO A 819 5.755 -10.802 -5.070 1.00 0.00 H new ATOM 0 HB3 PRO A 819 5.083 -11.695 -3.720 1.00 0.00 H new ATOM 0 HG2 PRO A 819 3.515 -10.121 -5.193 1.00 0.00 H new ATOM 0 HG3 PRO A 819 3.281 -10.220 -3.459 1.00 0.00 H new ATOM 0 HD2 PRO A 819 4.602 -8.036 -5.066 1.00 0.00 H new ATOM 0 HD3 PRO A 819 3.558 -7.894 -3.665 1.00 0.00 H new ATOM 675 N ASP A 820 7.889 -9.292 -4.690 1.00 0.00 N ATOM 676 CA ASP A 820 9.243 -9.311 -5.223 1.00 0.00 C ATOM 677 C ASP A 820 10.169 -8.446 -4.377 1.00 0.00 C ATOM 678 O ASP A 820 11.366 -8.716 -4.272 1.00 0.00 O ATOM 679 CB ASP A 820 9.259 -8.840 -6.674 1.00 0.00 C ATOM 680 CG ASP A 820 10.307 -9.566 -7.494 1.00 0.00 C ATOM 681 OD1 ASP A 820 10.046 -10.708 -7.925 1.00 0.00 O ATOM 682 OD2 ASP A 820 11.394 -9.002 -7.711 1.00 0.00 O ATOM 0 H ASP A 820 7.218 -8.769 -5.252 1.00 0.00 H new ATOM 0 HA ASP A 820 9.604 -10.339 -5.189 1.00 0.00 H new ATOM 0 HB2 ASP A 820 8.276 -9.000 -7.118 1.00 0.00 H new ATOM 0 HB3 ASP A 820 9.453 -7.768 -6.705 1.00 0.00 H new ATOM 687 N ASP A 821 9.608 -7.409 -3.768 1.00 0.00 N ATOM 688 CA ASP A 821 10.374 -6.542 -2.880 1.00 0.00 C ATOM 689 C ASP A 821 10.694 -7.267 -1.585 1.00 0.00 C ATOM 690 O ASP A 821 11.731 -7.030 -0.976 1.00 0.00 O ATOM 691 CB ASP A 821 9.620 -5.249 -2.584 1.00 0.00 C ATOM 692 CG ASP A 821 10.160 -4.084 -3.380 1.00 0.00 C ATOM 693 OD1 ASP A 821 11.329 -3.707 -3.180 1.00 0.00 O ATOM 694 OD2 ASP A 821 9.412 -3.542 -4.223 1.00 0.00 O ATOM 0 H ASP A 821 8.628 -7.148 -3.872 1.00 0.00 H new ATOM 0 HA ASP A 821 11.305 -6.283 -3.384 1.00 0.00 H new ATOM 0 HB2 ASP A 821 8.563 -5.385 -2.813 1.00 0.00 H new ATOM 0 HB3 ASP A 821 9.690 -5.024 -1.520 1.00 0.00 H new ATOM 699 N VAL A 822 9.802 -8.159 -1.171 1.00 0.00 N ATOM 700 CA VAL A 822 10.062 -9.014 -0.021 1.00 0.00 C ATOM 701 C VAL A 822 11.253 -9.920 -0.323 1.00 0.00 C ATOM 702 O VAL A 822 12.147 -10.089 0.509 1.00 0.00 O ATOM 703 CB VAL A 822 8.827 -9.867 0.353 1.00 0.00 C ATOM 704 CG1 VAL A 822 9.192 -10.973 1.337 1.00 0.00 C ATOM 705 CG2 VAL A 822 7.734 -8.984 0.931 1.00 0.00 C ATOM 0 H VAL A 822 8.895 -8.308 -1.613 1.00 0.00 H new ATOM 0 HA VAL A 822 10.287 -8.375 0.833 1.00 0.00 H new ATOM 0 HB VAL A 822 8.457 -10.340 -0.557 1.00 0.00 H new ATOM 0 HG11 VAL A 822 8.302 -11.553 1.579 1.00 0.00 H new ATOM 0 HG12 VAL A 822 9.940 -11.626 0.889 1.00 0.00 H new ATOM 0 HG13 VAL A 822 9.595 -10.531 2.248 1.00 0.00 H new ATOM 0 HG21 VAL A 822 6.870 -9.597 1.190 1.00 0.00 H new ATOM 0 HG22 VAL A 822 8.105 -8.484 1.825 1.00 0.00 H new ATOM 0 HG23 VAL A 822 7.441 -8.237 0.193 1.00 0.00 H new ATOM 715 N LYS A 823 11.269 -10.480 -1.530 1.00 0.00 N ATOM 716 CA LYS A 823 12.413 -11.265 -1.992 1.00 0.00 C ATOM 717 C LYS A 823 13.676 -10.403 -1.999 1.00 0.00 C ATOM 718 O LYS A 823 14.755 -10.850 -1.600 1.00 0.00 O ATOM 719 CB LYS A 823 12.155 -11.822 -3.395 1.00 0.00 C ATOM 720 CG LYS A 823 11.126 -12.940 -3.427 1.00 0.00 C ATOM 721 CD LYS A 823 11.173 -13.702 -4.742 1.00 0.00 C ATOM 722 CE LYS A 823 10.207 -13.115 -5.760 1.00 0.00 C ATOM 723 NZ LYS A 823 10.746 -13.180 -7.144 1.00 0.00 N ATOM 0 H LYS A 823 10.507 -10.406 -2.204 1.00 0.00 H new ATOM 0 HA LYS A 823 12.555 -12.100 -1.306 1.00 0.00 H new ATOM 0 HB2 LYS A 823 11.819 -11.012 -4.042 1.00 0.00 H new ATOM 0 HB3 LYS A 823 13.094 -12.192 -3.808 1.00 0.00 H new ATOM 0 HG2 LYS A 823 11.307 -13.627 -2.600 1.00 0.00 H new ATOM 0 HG3 LYS A 823 10.129 -12.523 -3.282 1.00 0.00 H new ATOM 0 HD2 LYS A 823 12.186 -13.676 -5.143 1.00 0.00 H new ATOM 0 HD3 LYS A 823 10.926 -14.749 -4.566 1.00 0.00 H new ATOM 0 HE2 LYS A 823 9.261 -13.654 -5.714 1.00 0.00 H new ATOM 0 HE3 LYS A 823 9.995 -12.077 -5.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 823 10.678 -12.242 -7.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 823 11.742 -13.478 -7.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 823 10.196 -13.866 -7.699 1.00 0.00 H new ATOM 737 N ARG A 824 13.529 -9.162 -2.447 1.00 0.00 N ATOM 738 CA ARG A 824 14.632 -8.207 -2.455 1.00 0.00 C ATOM 739 C ARG A 824 15.100 -7.926 -1.028 1.00 0.00 C ATOM 740 O ARG A 824 16.297 -7.921 -0.756 1.00 0.00 O ATOM 741 CB ARG A 824 14.203 -6.909 -3.153 1.00 0.00 C ATOM 742 CG ARG A 824 15.197 -5.765 -3.004 1.00 0.00 C ATOM 743 CD ARG A 824 16.251 -5.781 -4.105 1.00 0.00 C ATOM 744 NE ARG A 824 17.480 -5.105 -3.686 1.00 0.00 N ATOM 745 CZ ARG A 824 17.755 -3.825 -3.939 1.00 0.00 C ATOM 746 NH1 ARG A 824 16.950 -3.102 -4.710 1.00 0.00 N ATOM 747 NH2 ARG A 824 18.852 -3.274 -3.433 1.00 0.00 N ATOM 0 H ARG A 824 12.652 -8.791 -2.812 1.00 0.00 H new ATOM 0 HA ARG A 824 15.466 -8.636 -3.010 1.00 0.00 H new ATOM 0 HB2 ARG A 824 14.055 -7.111 -4.214 1.00 0.00 H new ATOM 0 HB3 ARG A 824 13.240 -6.594 -2.751 1.00 0.00 H new ATOM 0 HG2 ARG A 824 14.663 -4.815 -3.026 1.00 0.00 H new ATOM 0 HG3 ARG A 824 15.686 -5.833 -2.032 1.00 0.00 H new ATOM 0 HD2 ARG A 824 16.477 -6.812 -4.378 1.00 0.00 H new ATOM 0 HD3 ARG A 824 15.854 -5.295 -4.996 1.00 0.00 H new ATOM 0 HE ARG A 824 18.170 -5.648 -3.167 1.00 0.00 H new ATOM 0 HH11 ARG A 824 16.114 -3.525 -5.113 1.00 0.00 H new ATOM 0 HH12 ARG A 824 17.168 -2.123 -4.899 1.00 0.00 H new ATOM 0 HH21 ARG A 824 19.481 -3.830 -2.853 1.00 0.00 H new ATOM 0 HH22 ARG A 824 19.066 -2.295 -3.624 1.00 0.00 H new ATOM 761 N LEU A 825 14.147 -7.714 -0.126 1.00 0.00 N ATOM 762 CA LEU A 825 14.448 -7.498 1.285 1.00 0.00 C ATOM 763 C LEU A 825 15.256 -8.662 1.842 1.00 0.00 C ATOM 764 O LEU A 825 16.248 -8.461 2.536 1.00 0.00 O ATOM 765 CB LEU A 825 13.157 -7.332 2.093 1.00 0.00 C ATOM 766 CG LEU A 825 12.629 -5.902 2.192 1.00 0.00 C ATOM 767 CD1 LEU A 825 11.112 -5.906 2.300 1.00 0.00 C ATOM 768 CD2 LEU A 825 13.246 -5.188 3.385 1.00 0.00 C ATOM 0 H LEU A 825 13.152 -7.687 -0.350 1.00 0.00 H new ATOM 0 HA LEU A 825 15.037 -6.585 1.369 1.00 0.00 H new ATOM 0 HB2 LEU A 825 12.384 -7.957 1.645 1.00 0.00 H new ATOM 0 HB3 LEU A 825 13.328 -7.710 3.101 1.00 0.00 H new ATOM 0 HG LEU A 825 12.911 -5.364 1.287 1.00 0.00 H new ATOM 0 HD11 LEU A 825 10.750 -4.880 2.370 1.00 0.00 H new ATOM 0 HD12 LEU A 825 10.686 -6.382 1.417 1.00 0.00 H new ATOM 0 HD13 LEU A 825 10.812 -6.458 3.191 1.00 0.00 H new ATOM 0 HD21 LEU A 825 12.859 -4.171 3.440 1.00 0.00 H new ATOM 0 HD22 LEU A 825 12.993 -5.723 4.300 1.00 0.00 H new ATOM 0 HD23 LEU A 825 14.330 -5.158 3.271 1.00 0.00 H new ATOM 780 N TYR A 826 14.825 -9.880 1.526 1.00 0.00 N ATOM 781 CA TYR A 826 15.545 -11.083 1.931 1.00 0.00 C ATOM 782 C TYR A 826 16.972 -11.064 1.388 1.00 0.00 C ATOM 783 O TYR A 826 17.918 -11.480 2.065 1.00 0.00 O ATOM 784 CB TYR A 826 14.814 -12.330 1.431 1.00 0.00 C ATOM 785 CG TYR A 826 14.205 -13.165 2.534 1.00 0.00 C ATOM 786 CD1 TYR A 826 15.001 -13.769 3.496 1.00 0.00 C ATOM 787 CD2 TYR A 826 12.832 -13.352 2.609 1.00 0.00 C ATOM 788 CE1 TYR A 826 14.447 -14.537 4.503 1.00 0.00 C ATOM 789 CE2 TYR A 826 12.270 -14.119 3.612 1.00 0.00 C ATOM 790 CZ TYR A 826 13.081 -14.709 4.556 1.00 0.00 C ATOM 791 OH TYR A 826 12.526 -15.476 5.555 1.00 0.00 O ATOM 0 H TYR A 826 13.977 -10.060 0.988 1.00 0.00 H new ATOM 0 HA TYR A 826 15.587 -11.107 3.020 1.00 0.00 H new ATOM 0 HB2 TYR A 826 14.026 -12.026 0.742 1.00 0.00 H new ATOM 0 HB3 TYR A 826 15.512 -12.946 0.865 1.00 0.00 H new ATOM 0 HD1 TYR A 826 16.072 -13.637 3.458 1.00 0.00 H new ATOM 0 HD2 TYR A 826 12.192 -12.891 1.871 1.00 0.00 H new ATOM 0 HE1 TYR A 826 15.082 -15.000 5.244 1.00 0.00 H new ATOM 0 HE2 TYR A 826 11.199 -14.255 3.655 1.00 0.00 H new ATOM 0 HH TYR A 826 13.087 -15.425 6.357 1.00 0.00 H new ATOM 801 N THR A 827 17.119 -10.554 0.174 1.00 0.00 N ATOM 802 CA THR A 827 18.414 -10.478 -0.479 1.00 0.00 C ATOM 803 C THR A 827 19.332 -9.494 0.246 1.00 0.00 C ATOM 804 O THR A 827 20.490 -9.805 0.526 1.00 0.00 O ATOM 805 CB THR A 827 18.248 -10.064 -1.953 1.00 0.00 C ATOM 806 OG1 THR A 827 17.327 -10.958 -2.603 1.00 0.00 O ATOM 807 CG2 THR A 827 19.580 -10.084 -2.684 1.00 0.00 C ATOM 0 H THR A 827 16.348 -10.184 -0.382 1.00 0.00 H new ATOM 0 HA THR A 827 18.872 -11.466 -0.441 1.00 0.00 H new ATOM 0 HB THR A 827 17.860 -9.046 -1.980 1.00 0.00 H new ATOM 0 HG1 THR A 827 16.424 -10.810 -2.251 1.00 0.00 H new ATOM 0 HG21 THR A 827 19.430 -9.787 -3.722 1.00 0.00 H new ATOM 0 HG22 THR A 827 20.269 -9.389 -2.204 1.00 0.00 H new ATOM 0 HG23 THR A 827 19.998 -11.090 -2.651 1.00 0.00 H new ATOM 815 N GLU A 828 18.796 -8.326 0.584 1.00 0.00 N ATOM 816 CA GLU A 828 19.573 -7.303 1.276 1.00 0.00 C ATOM 817 C GLU A 828 19.814 -7.701 2.729 1.00 0.00 C ATOM 818 O GLU A 828 20.809 -7.302 3.338 1.00 0.00 O ATOM 819 CB GLU A 828 18.863 -5.951 1.206 1.00 0.00 C ATOM 820 CG GLU A 828 18.304 -5.622 -0.170 1.00 0.00 C ATOM 821 CD GLU A 828 19.380 -5.460 -1.227 1.00 0.00 C ATOM 822 OE1 GLU A 828 20.070 -4.422 -1.230 1.00 0.00 O ATOM 823 OE2 GLU A 828 19.519 -6.359 -2.084 1.00 0.00 O ATOM 0 H GLU A 828 17.829 -8.064 0.391 1.00 0.00 H new ATOM 0 HA GLU A 828 20.539 -7.214 0.778 1.00 0.00 H new ATOM 0 HB2 GLU A 828 18.049 -5.941 1.931 1.00 0.00 H new ATOM 0 HB3 GLU A 828 19.562 -5.168 1.501 1.00 0.00 H new ATOM 0 HG2 GLU A 828 17.619 -6.413 -0.476 1.00 0.00 H new ATOM 0 HG3 GLU A 828 17.722 -4.702 -0.109 1.00 0.00 H new ATOM 830 N ALA A 829 18.902 -8.491 3.281 1.00 0.00 N ATOM 831 CA ALA A 829 19.063 -9.018 4.629 1.00 0.00 C ATOM 832 C ALA A 829 20.225 -10.002 4.672 1.00 0.00 C ATOM 833 O ALA A 829 20.968 -10.062 5.652 1.00 0.00 O ATOM 834 CB ALA A 829 17.782 -9.688 5.098 1.00 0.00 C ATOM 0 H ALA A 829 18.042 -8.781 2.815 1.00 0.00 H new ATOM 0 HA ALA A 829 19.281 -8.189 5.302 1.00 0.00 H new ATOM 0 HB1 ALA A 829 17.922 -10.075 6.107 1.00 0.00 H new ATOM 0 HB2 ALA A 829 16.970 -8.961 5.098 1.00 0.00 H new ATOM 0 HB3 ALA A 829 17.534 -10.509 4.426 1.00 0.00 H new ATOM 840 N ALA A 830 20.388 -10.756 3.589 1.00 0.00 N ATOM 841 CA ALA A 830 21.498 -11.690 3.461 1.00 0.00 C ATOM 842 C ALA A 830 22.837 -10.954 3.475 1.00 0.00 C ATOM 843 O ALA A 830 23.841 -11.479 3.956 1.00 0.00 O ATOM 844 CB ALA A 830 21.349 -12.506 2.187 1.00 0.00 C ATOM 0 H ALA A 830 19.761 -10.737 2.785 1.00 0.00 H new ATOM 0 HA ALA A 830 21.479 -12.366 4.316 1.00 0.00 H new ATOM 0 HB1 ALA A 830 22.184 -13.201 2.101 1.00 0.00 H new ATOM 0 HB2 ALA A 830 20.414 -13.065 2.220 1.00 0.00 H new ATOM 0 HB3 ALA A 830 21.343 -11.838 1.326 1.00 0.00 H new ATOM 850 N THR A 831 22.843 -9.736 2.950 1.00 0.00 N ATOM 851 CA THR A 831 24.044 -8.913 2.919 1.00 0.00 C ATOM 852 C THR A 831 24.185 -8.095 4.200 1.00 0.00 C ATOM 853 O THR A 831 25.190 -7.413 4.399 1.00 0.00 O ATOM 854 CB THR A 831 24.009 -7.958 1.714 1.00 0.00 C ATOM 855 OG1 THR A 831 22.710 -8.003 1.109 1.00 0.00 O ATOM 856 CG2 THR A 831 25.068 -8.334 0.690 1.00 0.00 C ATOM 0 H THR A 831 22.022 -9.294 2.537 1.00 0.00 H new ATOM 0 HA THR A 831 24.899 -9.583 2.832 1.00 0.00 H new ATOM 0 HB THR A 831 24.219 -6.947 2.064 1.00 0.00 H new ATOM 0 HG1 THR A 831 22.685 -7.394 0.342 1.00 0.00 H new ATOM 0 HG21 THR A 831 25.022 -7.643 -0.152 1.00 0.00 H new ATOM 0 HG22 THR A 831 26.055 -8.280 1.150 1.00 0.00 H new ATOM 0 HG23 THR A 831 24.888 -9.349 0.336 1.00 0.00 H new ATOM 864 N SER A 832 23.163 -8.169 5.059 1.00 0.00 N ATOM 865 CA SER A 832 23.119 -7.408 6.304 1.00 0.00 C ATOM 866 C SER A 832 23.070 -5.914 6.007 1.00 0.00 C ATOM 867 O SER A 832 23.545 -5.084 6.787 1.00 0.00 O ATOM 868 CB SER A 832 24.311 -7.755 7.206 1.00 0.00 C ATOM 869 OG SER A 832 24.621 -9.138 7.125 1.00 0.00 O ATOM 0 H SER A 832 22.345 -8.759 4.907 1.00 0.00 H new ATOM 0 HA SER A 832 22.212 -7.681 6.843 1.00 0.00 H new ATOM 0 HB2 SER A 832 25.179 -7.166 6.911 1.00 0.00 H new ATOM 0 HB3 SER A 832 24.081 -7.489 8.238 1.00 0.00 H new ATOM 0 HG SER A 832 25.385 -9.337 7.706 1.00 0.00 H new ATOM 875 N ASP A 833 22.470 -5.578 4.871 1.00 0.00 N ATOM 876 CA ASP A 833 22.331 -4.194 4.456 1.00 0.00 C ATOM 877 C ASP A 833 21.104 -3.579 5.105 1.00 0.00 C ATOM 878 O ASP A 833 20.069 -3.389 4.466 1.00 0.00 O ATOM 879 CB ASP A 833 22.230 -4.088 2.937 1.00 0.00 C ATOM 880 CG ASP A 833 22.833 -2.800 2.417 1.00 0.00 C ATOM 881 OD1 ASP A 833 22.808 -1.785 3.147 1.00 0.00 O ATOM 882 OD2 ASP A 833 23.350 -2.797 1.282 1.00 0.00 O ATOM 0 H ASP A 833 22.071 -6.253 4.219 1.00 0.00 H new ATOM 0 HA ASP A 833 23.218 -3.648 4.777 1.00 0.00 H new ATOM 0 HB2 ASP A 833 22.738 -4.937 2.480 1.00 0.00 H new ATOM 0 HB3 ASP A 833 21.183 -4.145 2.638 1.00 0.00 H new ATOM 887 N PHE A 834 21.228 -3.293 6.390 1.00 0.00 N ATOM 888 CA PHE A 834 20.143 -2.709 7.167 1.00 0.00 C ATOM 889 C PHE A 834 19.691 -1.370 6.592 1.00 0.00 C ATOM 890 O PHE A 834 18.523 -1.005 6.710 1.00 0.00 O ATOM 891 CB PHE A 834 20.569 -2.544 8.628 1.00 0.00 C ATOM 892 CG PHE A 834 21.150 -3.794 9.227 1.00 0.00 C ATOM 893 CD1 PHE A 834 20.388 -4.948 9.338 1.00 0.00 C ATOM 894 CD2 PHE A 834 22.462 -3.819 9.674 1.00 0.00 C ATOM 895 CE1 PHE A 834 20.922 -6.100 9.883 1.00 0.00 C ATOM 896 CE2 PHE A 834 23.002 -4.968 10.221 1.00 0.00 C ATOM 897 CZ PHE A 834 22.232 -6.109 10.325 1.00 0.00 C ATOM 0 H PHE A 834 22.081 -3.458 6.925 1.00 0.00 H new ATOM 0 HA PHE A 834 19.295 -3.391 7.115 1.00 0.00 H new ATOM 0 HB2 PHE A 834 21.304 -1.742 8.696 1.00 0.00 H new ATOM 0 HB3 PHE A 834 19.706 -2.235 9.217 1.00 0.00 H new ATOM 0 HD1 PHE A 834 19.364 -4.946 8.994 1.00 0.00 H new ATOM 0 HD2 PHE A 834 23.070 -2.930 9.594 1.00 0.00 H new ATOM 0 HE1 PHE A 834 20.317 -6.991 9.964 1.00 0.00 H new ATOM 0 HE2 PHE A 834 24.025 -4.973 10.567 1.00 0.00 H new ATOM 0 HZ PHE A 834 22.652 -7.008 10.751 1.00 0.00 H new ATOM 907 N ALA A 835 20.609 -0.649 5.960 1.00 0.00 N ATOM 908 CA ALA A 835 20.267 0.611 5.314 1.00 0.00 C ATOM 909 C ALA A 835 19.284 0.369 4.175 1.00 0.00 C ATOM 910 O ALA A 835 18.332 1.130 3.984 1.00 0.00 O ATOM 911 CB ALA A 835 21.520 1.304 4.797 1.00 0.00 C ATOM 0 H ALA A 835 21.591 -0.914 5.881 1.00 0.00 H new ATOM 0 HA ALA A 835 19.795 1.261 6.050 1.00 0.00 H new ATOM 0 HB1 ALA A 835 21.245 2.243 4.318 1.00 0.00 H new ATOM 0 HB2 ALA A 835 22.194 1.505 5.629 1.00 0.00 H new ATOM 0 HB3 ALA A 835 22.020 0.660 4.073 1.00 0.00 H new ATOM 917 N ALA A 836 19.500 -0.716 3.445 1.00 0.00 N ATOM 918 CA ALA A 836 18.638 -1.056 2.325 1.00 0.00 C ATOM 919 C ALA A 836 17.328 -1.620 2.844 1.00 0.00 C ATOM 920 O ALA A 836 16.259 -1.365 2.287 1.00 0.00 O ATOM 921 CB ALA A 836 19.323 -2.049 1.400 1.00 0.00 C ATOM 0 H ALA A 836 20.263 -1.373 3.608 1.00 0.00 H new ATOM 0 HA ALA A 836 18.432 -0.153 1.750 1.00 0.00 H new ATOM 0 HB1 ALA A 836 18.660 -2.289 0.569 1.00 0.00 H new ATOM 0 HB2 ALA A 836 20.244 -1.612 1.015 1.00 0.00 H new ATOM 0 HB3 ALA A 836 19.557 -2.959 1.952 1.00 0.00 H new ATOM 927 N LEU A 837 17.424 -2.383 3.925 1.00 0.00 N ATOM 928 CA LEU A 837 16.254 -2.911 4.608 1.00 0.00 C ATOM 929 C LEU A 837 15.332 -1.773 5.019 1.00 0.00 C ATOM 930 O LEU A 837 14.138 -1.794 4.732 1.00 0.00 O ATOM 931 CB LEU A 837 16.682 -3.709 5.840 1.00 0.00 C ATOM 932 CG LEU A 837 16.470 -5.221 5.748 1.00 0.00 C ATOM 933 CD1 LEU A 837 16.955 -5.754 4.407 1.00 0.00 C ATOM 934 CD2 LEU A 837 17.185 -5.926 6.891 1.00 0.00 C ATOM 0 H LEU A 837 18.311 -2.651 4.350 1.00 0.00 H new ATOM 0 HA LEU A 837 15.717 -3.572 3.928 1.00 0.00 H new ATOM 0 HB2 LEU A 837 17.739 -3.518 6.027 1.00 0.00 H new ATOM 0 HB3 LEU A 837 16.133 -3.334 6.704 1.00 0.00 H new ATOM 0 HG LEU A 837 15.402 -5.423 5.828 1.00 0.00 H new ATOM 0 HD11 LEU A 837 16.794 -6.831 4.364 1.00 0.00 H new ATOM 0 HD12 LEU A 837 16.401 -5.272 3.602 1.00 0.00 H new ATOM 0 HD13 LEU A 837 18.018 -5.541 4.294 1.00 0.00 H new ATOM 0 HD21 LEU A 837 17.025 -7.001 6.812 1.00 0.00 H new ATOM 0 HD22 LEU A 837 18.253 -5.713 6.839 1.00 0.00 H new ATOM 0 HD23 LEU A 837 16.790 -5.569 7.842 1.00 0.00 H new ATOM 946 N ALA A 838 15.907 -0.766 5.669 1.00 0.00 N ATOM 947 CA ALA A 838 15.152 0.390 6.130 1.00 0.00 C ATOM 948 C ALA A 838 14.493 1.120 4.965 1.00 0.00 C ATOM 949 O ALA A 838 13.326 1.496 5.047 1.00 0.00 O ATOM 950 CB ALA A 838 16.059 1.336 6.902 1.00 0.00 C ATOM 0 H ALA A 838 16.902 -0.729 5.889 1.00 0.00 H new ATOM 0 HA ALA A 838 14.363 0.036 6.793 1.00 0.00 H new ATOM 0 HB1 ALA A 838 15.483 2.197 7.241 1.00 0.00 H new ATOM 0 HB2 ALA A 838 16.477 0.816 7.764 1.00 0.00 H new ATOM 0 HB3 ALA A 838 16.868 1.674 6.254 1.00 0.00 H new ATOM 956 N GLN A 839 15.241 1.317 3.884 1.00 0.00 N ATOM 957 CA GLN A 839 14.710 2.001 2.707 1.00 0.00 C ATOM 958 C GLN A 839 13.509 1.253 2.127 1.00 0.00 C ATOM 959 O GLN A 839 12.465 1.846 1.846 1.00 0.00 O ATOM 960 CB GLN A 839 15.798 2.140 1.644 1.00 0.00 C ATOM 961 CG GLN A 839 16.470 3.501 1.643 1.00 0.00 C ATOM 962 CD GLN A 839 15.730 4.516 0.796 1.00 0.00 C ATOM 963 OE1 GLN A 839 15.035 5.390 1.316 1.00 0.00 O ATOM 964 NE2 GLN A 839 15.864 4.404 -0.515 1.00 0.00 N ATOM 0 H GLN A 839 16.211 1.015 3.797 1.00 0.00 H new ATOM 0 HA GLN A 839 14.378 2.992 3.016 1.00 0.00 H new ATOM 0 HB2 GLN A 839 16.553 1.370 1.805 1.00 0.00 H new ATOM 0 HB3 GLN A 839 15.361 1.958 0.662 1.00 0.00 H new ATOM 0 HG2 GLN A 839 16.539 3.869 2.667 1.00 0.00 H new ATOM 0 HG3 GLN A 839 17.490 3.398 1.272 1.00 0.00 H new ATOM 0 HE21 GLN A 839 16.449 3.666 -0.907 1.00 0.00 H new ATOM 0 HE22 GLN A 839 15.382 5.056 -1.134 1.00 0.00 H new ATOM 973 N THR A 840 13.656 -0.052 1.965 1.00 0.00 N ATOM 974 CA THR A 840 12.590 -0.873 1.412 1.00 0.00 C ATOM 975 C THR A 840 11.412 -0.967 2.382 1.00 0.00 C ATOM 976 O THR A 840 10.253 -0.904 1.972 1.00 0.00 O ATOM 977 CB THR A 840 13.105 -2.280 1.051 1.00 0.00 C ATOM 978 OG1 THR A 840 14.432 -2.177 0.514 1.00 0.00 O ATOM 979 CG2 THR A 840 12.196 -2.948 0.029 1.00 0.00 C ATOM 0 H THR A 840 14.503 -0.566 2.208 1.00 0.00 H new ATOM 0 HA THR A 840 12.243 -0.392 0.497 1.00 0.00 H new ATOM 0 HB THR A 840 13.113 -2.888 1.955 1.00 0.00 H new ATOM 0 HG1 THR A 840 15.081 -2.159 1.248 1.00 0.00 H new ATOM 0 HG21 THR A 840 12.582 -3.939 -0.208 1.00 0.00 H new ATOM 0 HG22 THR A 840 11.191 -3.039 0.441 1.00 0.00 H new ATOM 0 HG23 THR A 840 12.163 -2.345 -0.878 1.00 0.00 H new ATOM 987 N ALA A 841 11.711 -1.085 3.673 1.00 0.00 N ATOM 988 CA ALA A 841 10.675 -1.107 4.699 1.00 0.00 C ATOM 989 C ALA A 841 9.911 0.209 4.709 1.00 0.00 C ATOM 990 O ALA A 841 8.698 0.233 4.914 1.00 0.00 O ATOM 991 CB ALA A 841 11.275 -1.380 6.068 1.00 0.00 C ATOM 0 H ALA A 841 12.662 -1.167 4.032 1.00 0.00 H new ATOM 0 HA ALA A 841 9.980 -1.913 4.464 1.00 0.00 H new ATOM 0 HB1 ALA A 841 10.483 -1.392 6.817 1.00 0.00 H new ATOM 0 HB2 ALA A 841 11.779 -2.346 6.058 1.00 0.00 H new ATOM 0 HB3 ALA A 841 11.994 -0.598 6.313 1.00 0.00 H new ATOM 997 N HIS A 842 10.639 1.299 4.482 1.00 0.00 N ATOM 998 CA HIS A 842 10.044 2.624 4.349 1.00 0.00 C ATOM 999 C HIS A 842 9.006 2.630 3.234 1.00 0.00 C ATOM 1000 O HIS A 842 7.875 3.086 3.417 1.00 0.00 O ATOM 1001 CB HIS A 842 11.129 3.661 4.037 1.00 0.00 C ATOM 1002 CG HIS A 842 11.408 4.619 5.152 1.00 0.00 C ATOM 1003 ND1 HIS A 842 11.689 4.223 6.441 1.00 0.00 N ATOM 1004 CD2 HIS A 842 11.460 5.970 5.159 1.00 0.00 C ATOM 1005 CE1 HIS A 842 11.902 5.285 7.189 1.00 0.00 C ATOM 1006 NE2 HIS A 842 11.771 6.359 6.437 1.00 0.00 N ATOM 0 H HIS A 842 11.654 1.288 4.385 1.00 0.00 H new ATOM 0 HA HIS A 842 9.559 2.879 5.291 1.00 0.00 H new ATOM 0 HB2 HIS A 842 12.052 3.139 3.784 1.00 0.00 H new ATOM 0 HB3 HIS A 842 10.831 4.227 3.154 1.00 0.00 H new ATOM 0 HD1 HIS A 842 11.726 3.257 6.766 1.00 0.00 H new ATOM 0 HD2 HIS A 842 11.289 6.622 4.315 1.00 0.00 H new ATOM 0 HE1 HIS A 842 12.143 5.277 8.242 1.00 0.00 H new ATOM 1015 N ARG A 843 9.395 2.119 2.075 1.00 0.00 N ATOM 1016 CA ARG A 843 8.493 2.054 0.931 1.00 0.00 C ATOM 1017 C ARG A 843 7.300 1.142 1.219 1.00 0.00 C ATOM 1018 O ARG A 843 6.165 1.462 0.867 1.00 0.00 O ATOM 1019 CB ARG A 843 9.243 1.564 -0.308 1.00 0.00 C ATOM 1020 CG ARG A 843 9.054 2.457 -1.524 1.00 0.00 C ATOM 1021 CD ARG A 843 9.085 1.655 -2.816 1.00 0.00 C ATOM 1022 NE ARG A 843 10.327 0.900 -2.970 1.00 0.00 N ATOM 1023 CZ ARG A 843 10.373 -0.403 -3.232 1.00 0.00 C ATOM 1024 NH1 ARG A 843 9.244 -1.073 -3.425 1.00 0.00 N ATOM 1025 NH2 ARG A 843 11.538 -1.034 -3.332 1.00 0.00 N ATOM 0 H ARG A 843 10.327 1.744 1.901 1.00 0.00 H new ATOM 0 HA ARG A 843 8.114 3.059 0.744 1.00 0.00 H new ATOM 0 HB2 ARG A 843 10.306 1.498 -0.077 1.00 0.00 H new ATOM 0 HB3 ARG A 843 8.907 0.556 -0.551 1.00 0.00 H new ATOM 0 HG2 ARG A 843 8.103 2.984 -1.445 1.00 0.00 H new ATOM 0 HG3 ARG A 843 9.838 3.214 -1.546 1.00 0.00 H new ATOM 0 HD2 ARG A 843 8.240 0.967 -2.835 1.00 0.00 H new ATOM 0 HD3 ARG A 843 8.965 2.330 -3.663 1.00 0.00 H new ATOM 0 HE ARG A 843 11.210 1.402 -2.871 1.00 0.00 H new ATOM 0 HH11 ARG A 843 8.348 -0.588 -3.372 1.00 0.00 H new ATOM 0 HH12 ARG A 843 9.272 -2.073 -3.626 1.00 0.00 H new ATOM 0 HH21 ARG A 843 12.409 -0.519 -3.207 1.00 0.00 H new ATOM 0 HH22 ARG A 843 11.561 -2.034 -3.533 1.00 0.00 H new ATOM 1039 N LEU A 844 7.560 0.017 1.877 1.00 0.00 N ATOM 1040 CA LEU A 844 6.515 -0.959 2.179 1.00 0.00 C ATOM 1041 C LEU A 844 5.547 -0.424 3.228 1.00 0.00 C ATOM 1042 O LEU A 844 4.335 -0.615 3.118 1.00 0.00 O ATOM 1043 CB LEU A 844 7.131 -2.277 2.659 1.00 0.00 C ATOM 1044 CG LEU A 844 7.539 -3.260 1.556 1.00 0.00 C ATOM 1045 CD1 LEU A 844 7.487 -4.686 2.077 1.00 0.00 C ATOM 1046 CD2 LEU A 844 6.643 -3.112 0.334 1.00 0.00 C ATOM 0 H LEU A 844 8.487 -0.243 2.213 1.00 0.00 H new ATOM 0 HA LEU A 844 5.958 -1.142 1.260 1.00 0.00 H new ATOM 0 HB2 LEU A 844 8.011 -2.048 3.260 1.00 0.00 H new ATOM 0 HB3 LEU A 844 6.417 -2.773 3.316 1.00 0.00 H new ATOM 0 HG LEU A 844 8.562 -3.030 1.257 1.00 0.00 H new ATOM 0 HD11 LEU A 844 7.779 -5.374 1.284 1.00 0.00 H new ATOM 0 HD12 LEU A 844 8.172 -4.791 2.919 1.00 0.00 H new ATOM 0 HD13 LEU A 844 6.473 -4.918 2.403 1.00 0.00 H new ATOM 0 HD21 LEU A 844 6.954 -3.821 -0.433 1.00 0.00 H new ATOM 0 HD22 LEU A 844 5.609 -3.312 0.615 1.00 0.00 H new ATOM 0 HD23 LEU A 844 6.724 -2.097 -0.056 1.00 0.00 H new ATOM 1058 N LYS A 845 6.073 0.247 4.245 1.00 0.00 N ATOM 1059 CA LYS A 845 5.226 0.837 5.268 1.00 0.00 C ATOM 1060 C LYS A 845 4.348 1.925 4.659 1.00 0.00 C ATOM 1061 O LYS A 845 3.210 2.128 5.083 1.00 0.00 O ATOM 1062 CB LYS A 845 6.070 1.401 6.417 1.00 0.00 C ATOM 1063 CG LYS A 845 6.610 2.800 6.166 1.00 0.00 C ATOM 1064 CD LYS A 845 7.617 3.203 7.222 1.00 0.00 C ATOM 1065 CE LYS A 845 6.999 3.168 8.604 1.00 0.00 C ATOM 1066 NZ LYS A 845 7.859 3.821 9.621 1.00 0.00 N ATOM 0 H LYS A 845 7.073 0.394 4.381 1.00 0.00 H new ATOM 0 HA LYS A 845 4.583 0.058 5.676 1.00 0.00 H new ATOM 0 HB2 LYS A 845 5.466 1.414 7.324 1.00 0.00 H new ATOM 0 HB3 LYS A 845 6.907 0.728 6.602 1.00 0.00 H new ATOM 0 HG2 LYS A 845 7.077 2.840 5.182 1.00 0.00 H new ATOM 0 HG3 LYS A 845 5.786 3.513 6.157 1.00 0.00 H new ATOM 0 HD2 LYS A 845 8.475 2.531 7.186 1.00 0.00 H new ATOM 0 HD3 LYS A 845 7.988 4.206 7.011 1.00 0.00 H new ATOM 0 HE2 LYS A 845 6.029 3.664 8.579 1.00 0.00 H new ATOM 0 HE3 LYS A 845 6.820 2.133 8.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 845 7.411 3.743 10.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 845 8.788 3.354 9.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 845 7.982 4.825 9.379 1.00 0.00 H new ATOM 1080 N GLY A 846 4.881 2.609 3.652 1.00 0.00 N ATOM 1081 CA GLY A 846 4.120 3.631 2.970 1.00 0.00 C ATOM 1082 C GLY A 846 2.967 3.059 2.171 1.00 0.00 C ATOM 1083 O GLY A 846 1.847 3.557 2.258 1.00 0.00 O ATOM 0 H GLY A 846 5.828 2.471 3.298 1.00 0.00 H new ATOM 0 HA2 GLY A 846 3.734 4.341 3.701 1.00 0.00 H new ATOM 0 HA3 GLY A 846 4.780 4.187 2.303 1.00 0.00 H new ATOM 1087 N VAL A 847 3.228 2.002 1.405 1.00 0.00 N ATOM 1088 CA VAL A 847 2.199 1.419 0.547 1.00 0.00 C ATOM 1089 C VAL A 847 1.102 0.732 1.364 1.00 0.00 C ATOM 1090 O VAL A 847 -0.073 0.810 1.008 1.00 0.00 O ATOM 1091 CB VAL A 847 2.787 0.428 -0.489 1.00 0.00 C ATOM 1092 CG1 VAL A 847 3.587 1.179 -1.543 1.00 0.00 C ATOM 1093 CG2 VAL A 847 3.644 -0.637 0.174 1.00 0.00 C ATOM 0 H VAL A 847 4.134 1.535 1.360 1.00 0.00 H new ATOM 0 HA VAL A 847 1.756 2.252 0.001 1.00 0.00 H new ATOM 0 HB VAL A 847 1.953 -0.080 -0.973 1.00 0.00 H new ATOM 0 HG11 VAL A 847 3.994 0.470 -2.264 1.00 0.00 H new ATOM 0 HG12 VAL A 847 2.937 1.887 -2.057 1.00 0.00 H new ATOM 0 HG13 VAL A 847 4.404 1.719 -1.064 1.00 0.00 H new ATOM 0 HG21 VAL A 847 4.038 -1.312 -0.586 1.00 0.00 H new ATOM 0 HG22 VAL A 847 4.471 -0.162 0.701 1.00 0.00 H new ATOM 0 HG23 VAL A 847 3.039 -1.202 0.883 1.00 0.00 H new ATOM 1103 N PHE A 848 1.470 0.089 2.469 1.00 0.00 N ATOM 1104 CA PHE A 848 0.483 -0.577 3.312 1.00 0.00 C ATOM 1105 C PHE A 848 -0.351 0.459 4.062 1.00 0.00 C ATOM 1106 O PHE A 848 -1.570 0.320 4.185 1.00 0.00 O ATOM 1107 CB PHE A 848 1.167 -1.545 4.284 1.00 0.00 C ATOM 1108 CG PHE A 848 1.434 -2.902 3.678 1.00 0.00 C ATOM 1109 CD1 PHE A 848 0.424 -3.599 3.032 1.00 0.00 C ATOM 1110 CD2 PHE A 848 2.694 -3.475 3.751 1.00 0.00 C ATOM 1111 CE1 PHE A 848 0.665 -4.841 2.471 1.00 0.00 C ATOM 1112 CE2 PHE A 848 2.942 -4.719 3.191 1.00 0.00 C ATOM 1113 CZ PHE A 848 1.927 -5.403 2.550 1.00 0.00 C ATOM 0 H PHE A 848 2.433 0.015 2.798 1.00 0.00 H new ATOM 0 HA PHE A 848 -0.185 -1.160 2.678 1.00 0.00 H new ATOM 0 HB2 PHE A 848 2.110 -1.111 4.617 1.00 0.00 H new ATOM 0 HB3 PHE A 848 0.541 -1.665 5.168 1.00 0.00 H new ATOM 0 HD1 PHE A 848 -0.564 -3.167 2.966 1.00 0.00 H new ATOM 0 HD2 PHE A 848 3.492 -2.946 4.250 1.00 0.00 H new ATOM 0 HE1 PHE A 848 -0.132 -5.372 1.971 1.00 0.00 H new ATOM 0 HE2 PHE A 848 3.929 -5.153 3.256 1.00 0.00 H new ATOM 0 HZ PHE A 848 2.118 -6.372 2.113 1.00 0.00 H new ATOM 1123 N ALA A 849 0.304 1.519 4.531 1.00 0.00 N ATOM 1124 CA ALA A 849 -0.393 2.616 5.189 1.00 0.00 C ATOM 1125 C ALA A 849 -1.300 3.336 4.198 1.00 0.00 C ATOM 1126 O ALA A 849 -2.397 3.767 4.546 1.00 0.00 O ATOM 1127 CB ALA A 849 0.603 3.589 5.804 1.00 0.00 C ATOM 0 H ALA A 849 1.315 1.639 4.467 1.00 0.00 H new ATOM 0 HA ALA A 849 -1.009 2.205 5.989 1.00 0.00 H new ATOM 0 HB1 ALA A 849 0.064 4.402 6.291 1.00 0.00 H new ATOM 0 HB2 ALA A 849 1.215 3.067 6.540 1.00 0.00 H new ATOM 0 HB3 ALA A 849 1.244 3.996 5.022 1.00 0.00 H new ATOM 1133 N MET A 850 -0.830 3.448 2.959 1.00 0.00 N ATOM 1134 CA MET A 850 -1.605 4.054 1.885 1.00 0.00 C ATOM 1135 C MET A 850 -2.843 3.211 1.589 1.00 0.00 C ATOM 1136 O MET A 850 -3.932 3.740 1.362 1.00 0.00 O ATOM 1137 CB MET A 850 -0.731 4.197 0.630 1.00 0.00 C ATOM 1138 CG MET A 850 -1.480 4.055 -0.688 1.00 0.00 C ATOM 1139 SD MET A 850 -0.454 3.368 -2.008 1.00 0.00 S ATOM 1140 CE MET A 850 1.008 4.395 -1.870 1.00 0.00 C ATOM 0 H MET A 850 0.094 3.123 2.674 1.00 0.00 H new ATOM 0 HA MET A 850 -1.934 5.046 2.195 1.00 0.00 H new ATOM 0 HB2 MET A 850 -0.244 5.172 0.652 1.00 0.00 H new ATOM 0 HB3 MET A 850 0.058 3.446 0.666 1.00 0.00 H new ATOM 0 HG2 MET A 850 -2.349 3.414 -0.539 1.00 0.00 H new ATOM 0 HG3 MET A 850 -1.853 5.032 -0.995 1.00 0.00 H new ATOM 0 HE1 MET A 850 1.660 4.217 -2.725 1.00 0.00 H new ATOM 0 HE2 MET A 850 0.715 5.445 -1.850 1.00 0.00 H new ATOM 0 HE3 MET A 850 1.540 4.149 -0.951 1.00 0.00 H new ATOM 1150 N LEU A 851 -2.665 1.894 1.608 1.00 0.00 N ATOM 1151 CA LEU A 851 -3.763 0.968 1.370 1.00 0.00 C ATOM 1152 C LEU A 851 -4.626 0.821 2.618 1.00 0.00 C ATOM 1153 O LEU A 851 -5.684 0.192 2.577 1.00 0.00 O ATOM 1154 CB LEU A 851 -3.223 -0.395 0.933 1.00 0.00 C ATOM 1155 CG LEU A 851 -2.625 -0.422 -0.473 1.00 0.00 C ATOM 1156 CD1 LEU A 851 -1.732 -1.639 -0.657 1.00 0.00 C ATOM 1157 CD2 LEU A 851 -3.726 -0.406 -1.521 1.00 0.00 C ATOM 0 H LEU A 851 -1.767 1.444 1.787 1.00 0.00 H new ATOM 0 HA LEU A 851 -4.384 1.371 0.570 1.00 0.00 H new ATOM 0 HB2 LEU A 851 -2.461 -0.714 1.644 1.00 0.00 H new ATOM 0 HB3 LEU A 851 -4.031 -1.125 0.984 1.00 0.00 H new ATOM 0 HG LEU A 851 -2.014 0.471 -0.600 1.00 0.00 H new ATOM 0 HD11 LEU A 851 -1.318 -1.637 -1.665 1.00 0.00 H new ATOM 0 HD12 LEU A 851 -0.920 -1.608 0.069 1.00 0.00 H new ATOM 0 HD13 LEU A 851 -2.318 -2.546 -0.507 1.00 0.00 H new ATOM 0 HD21 LEU A 851 -3.281 -0.426 -2.516 1.00 0.00 H new ATOM 0 HD22 LEU A 851 -4.364 -1.280 -1.391 1.00 0.00 H new ATOM 0 HD23 LEU A 851 -4.323 0.499 -1.408 1.00 0.00 H new ATOM 1169 N ASN A 852 -4.134 1.373 3.732 1.00 0.00 N ATOM 1170 CA ASN A 852 -4.880 1.444 4.996 1.00 0.00 C ATOM 1171 C ASN A 852 -4.880 0.083 5.702 1.00 0.00 C ATOM 1172 O ASN A 852 -5.507 -0.104 6.748 1.00 0.00 O ATOM 1173 CB ASN A 852 -6.307 2.011 4.763 1.00 0.00 C ATOM 1174 CG ASN A 852 -7.447 1.091 5.176 1.00 0.00 C ATOM 1175 OD1 ASN A 852 -8.092 1.303 6.205 1.00 0.00 O ATOM 1176 ND2 ASN A 852 -7.721 0.083 4.365 1.00 0.00 N ATOM 0 H ASN A 852 -3.203 1.786 3.784 1.00 0.00 H new ATOM 0 HA ASN A 852 -4.378 2.141 5.667 1.00 0.00 H new ATOM 0 HB2 ASN A 852 -6.402 2.948 5.311 1.00 0.00 H new ATOM 0 HB3 ASN A 852 -6.418 2.248 3.705 1.00 0.00 H new ATOM 0 HD21 ASN A 852 -8.489 -0.552 4.582 1.00 0.00 H new ATOM 0 HD22 ASN A 852 -7.164 -0.060 3.522 1.00 0.00 H new ATOM 1183 N LEU A 853 -4.113 -0.845 5.139 1.00 0.00 N ATOM 1184 CA LEU A 853 -3.949 -2.177 5.700 1.00 0.00 C ATOM 1185 C LEU A 853 -3.223 -2.109 7.041 1.00 0.00 C ATOM 1186 O LEU A 853 -1.993 -2.117 7.091 1.00 0.00 O ATOM 1187 CB LEU A 853 -3.165 -3.047 4.716 1.00 0.00 C ATOM 1188 CG LEU A 853 -3.973 -4.157 4.044 1.00 0.00 C ATOM 1189 CD1 LEU A 853 -4.827 -3.596 2.916 1.00 0.00 C ATOM 1190 CD2 LEU A 853 -3.051 -5.245 3.521 1.00 0.00 C ATOM 0 H LEU A 853 -3.587 -0.692 4.279 1.00 0.00 H new ATOM 0 HA LEU A 853 -4.932 -2.617 5.869 1.00 0.00 H new ATOM 0 HB2 LEU A 853 -2.746 -2.405 3.942 1.00 0.00 H new ATOM 0 HB3 LEU A 853 -2.325 -3.499 5.244 1.00 0.00 H new ATOM 0 HG LEU A 853 -4.637 -4.594 4.790 1.00 0.00 H new ATOM 0 HD11 LEU A 853 -5.393 -4.404 2.452 1.00 0.00 H new ATOM 0 HD12 LEU A 853 -5.516 -2.853 3.317 1.00 0.00 H new ATOM 0 HD13 LEU A 853 -4.184 -3.129 2.170 1.00 0.00 H new ATOM 0 HD21 LEU A 853 -3.644 -6.027 3.046 1.00 0.00 H new ATOM 0 HD22 LEU A 853 -2.362 -4.819 2.792 1.00 0.00 H new ATOM 0 HD23 LEU A 853 -2.485 -5.672 4.349 1.00 0.00 H new ATOM 1202 N VAL A 854 -3.998 -2.040 8.118 1.00 0.00 N ATOM 1203 CA VAL A 854 -3.454 -1.859 9.461 1.00 0.00 C ATOM 1204 C VAL A 854 -2.431 -2.940 9.828 1.00 0.00 C ATOM 1205 O VAL A 854 -1.278 -2.610 10.099 1.00 0.00 O ATOM 1206 CB VAL A 854 -4.571 -1.818 10.529 1.00 0.00 C ATOM 1207 CG1 VAL A 854 -4.011 -1.386 11.876 1.00 0.00 C ATOM 1208 CG2 VAL A 854 -5.697 -0.893 10.097 1.00 0.00 C ATOM 0 H VAL A 854 -5.015 -2.107 8.087 1.00 0.00 H new ATOM 0 HA VAL A 854 -2.941 -0.897 9.448 1.00 0.00 H new ATOM 0 HB VAL A 854 -4.977 -2.824 10.633 1.00 0.00 H new ATOM 0 HG11 VAL A 854 -4.813 -1.364 12.613 1.00 0.00 H new ATOM 0 HG12 VAL A 854 -3.245 -2.092 12.195 1.00 0.00 H new ATOM 0 HG13 VAL A 854 -3.573 -0.392 11.786 1.00 0.00 H new ATOM 0 HG21 VAL A 854 -6.472 -0.880 10.864 1.00 0.00 H new ATOM 0 HG22 VAL A 854 -5.307 0.115 9.958 1.00 0.00 H new ATOM 0 HG23 VAL A 854 -6.121 -1.250 9.159 1.00 0.00 H new ATOM 1218 N PRO A 855 -2.816 -4.240 9.843 1.00 0.00 N ATOM 1219 CA PRO A 855 -1.896 -5.324 10.212 1.00 0.00 C ATOM 1220 C PRO A 855 -0.630 -5.334 9.356 1.00 0.00 C ATOM 1221 O PRO A 855 0.472 -5.519 9.871 1.00 0.00 O ATOM 1222 CB PRO A 855 -2.712 -6.608 9.994 1.00 0.00 C ATOM 1223 CG PRO A 855 -3.911 -6.201 9.205 1.00 0.00 C ATOM 1224 CD PRO A 855 -4.159 -4.755 9.516 1.00 0.00 C ATOM 0 HA PRO A 855 -1.542 -5.212 11.237 1.00 0.00 H new ATOM 0 HB2 PRO A 855 -2.127 -7.356 9.459 1.00 0.00 H new ATOM 0 HB3 PRO A 855 -3.003 -7.052 10.946 1.00 0.00 H new ATOM 0 HG2 PRO A 855 -3.739 -6.344 8.138 1.00 0.00 H new ATOM 0 HG3 PRO A 855 -4.775 -6.809 9.473 1.00 0.00 H new ATOM 0 HD2 PRO A 855 -4.594 -4.230 8.666 1.00 0.00 H new ATOM 0 HD3 PRO A 855 -4.849 -4.636 10.351 1.00 0.00 H new ATOM 1232 N GLY A 856 -0.790 -5.119 8.053 1.00 0.00 N ATOM 1233 CA GLY A 856 0.354 -5.074 7.160 1.00 0.00 C ATOM 1234 C GLY A 856 1.282 -3.918 7.475 1.00 0.00 C ATOM 1235 O GLY A 856 2.503 -4.091 7.553 1.00 0.00 O ATOM 0 H GLY A 856 -1.692 -4.975 7.600 1.00 0.00 H new ATOM 0 HA2 GLY A 856 0.906 -6.011 7.233 1.00 0.00 H new ATOM 0 HA3 GLY A 856 0.006 -4.988 6.131 1.00 0.00 H new ATOM 1239 N LYS A 857 0.702 -2.738 7.671 1.00 0.00 N ATOM 1240 CA LYS A 857 1.475 -1.541 7.975 1.00 0.00 C ATOM 1241 C LYS A 857 2.120 -1.658 9.358 1.00 0.00 C ATOM 1242 O LYS A 857 3.258 -1.235 9.560 1.00 0.00 O ATOM 1243 CB LYS A 857 0.574 -0.300 7.868 1.00 0.00 C ATOM 1244 CG LYS A 857 0.906 0.818 8.845 1.00 0.00 C ATOM 1245 CD LYS A 857 -0.249 1.084 9.798 1.00 0.00 C ATOM 1246 CE LYS A 857 -1.384 1.828 9.112 1.00 0.00 C ATOM 1247 NZ LYS A 857 -1.674 3.129 9.769 1.00 0.00 N ATOM 0 H LYS A 857 -0.306 -2.586 7.624 1.00 0.00 H new ATOM 0 HA LYS A 857 2.282 -1.436 7.249 1.00 0.00 H new ATOM 0 HB2 LYS A 857 0.640 0.092 6.853 1.00 0.00 H new ATOM 0 HB3 LYS A 857 -0.460 -0.605 8.025 1.00 0.00 H new ATOM 0 HG2 LYS A 857 1.796 0.552 9.415 1.00 0.00 H new ATOM 0 HG3 LYS A 857 1.141 1.728 8.293 1.00 0.00 H new ATOM 0 HD2 LYS A 857 -0.620 0.138 10.193 1.00 0.00 H new ATOM 0 HD3 LYS A 857 0.107 1.667 10.648 1.00 0.00 H new ATOM 0 HE2 LYS A 857 -1.126 1.999 8.067 1.00 0.00 H new ATOM 0 HE3 LYS A 857 -2.281 1.209 9.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 857 -2.454 3.604 9.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 857 -1.945 2.965 10.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 857 -0.826 3.730 9.738 1.00 0.00 H new ATOM 1261 N GLN A 858 1.395 -2.252 10.301 1.00 0.00 N ATOM 1262 CA GLN A 858 1.931 -2.522 11.623 1.00 0.00 C ATOM 1263 C GLN A 858 3.132 -3.456 11.526 1.00 0.00 C ATOM 1264 O GLN A 858 4.098 -3.326 12.280 1.00 0.00 O ATOM 1265 CB GLN A 858 0.852 -3.143 12.507 1.00 0.00 C ATOM 1266 CG GLN A 858 0.547 -2.334 13.754 1.00 0.00 C ATOM 1267 CD GLN A 858 -0.111 -1.003 13.449 1.00 0.00 C ATOM 1268 OE1 GLN A 858 0.453 -0.160 12.752 1.00 0.00 O ATOM 1269 NE2 GLN A 858 -1.302 -0.793 13.983 1.00 0.00 N ATOM 0 H GLN A 858 0.430 -2.555 10.169 1.00 0.00 H new ATOM 0 HA GLN A 858 2.256 -1.582 12.069 1.00 0.00 H new ATOM 0 HB2 GLN A 858 -0.062 -3.256 11.925 1.00 0.00 H new ATOM 0 HB3 GLN A 858 1.167 -4.144 12.802 1.00 0.00 H new ATOM 0 HG2 GLN A 858 -0.105 -2.914 14.407 1.00 0.00 H new ATOM 0 HG3 GLN A 858 1.473 -2.159 14.302 1.00 0.00 H new ATOM 0 HE21 GLN A 858 -1.739 -1.515 14.556 1.00 0.00 H new ATOM 0 HE22 GLN A 858 -1.784 0.091 13.822 1.00 0.00 H new ATOM 1278 N LEU A 859 3.063 -4.395 10.588 1.00 0.00 N ATOM 1279 CA LEU A 859 4.159 -5.322 10.351 1.00 0.00 C ATOM 1280 C LEU A 859 5.412 -4.575 9.910 1.00 0.00 C ATOM 1281 O LEU A 859 6.488 -4.779 10.473 1.00 0.00 O ATOM 1282 CB LEU A 859 3.773 -6.353 9.288 1.00 0.00 C ATOM 1283 CG LEU A 859 2.978 -7.555 9.799 1.00 0.00 C ATOM 1284 CD1 LEU A 859 2.397 -8.343 8.636 1.00 0.00 C ATOM 1285 CD2 LEU A 859 3.855 -8.447 10.663 1.00 0.00 C ATOM 0 H LEU A 859 2.256 -4.533 9.979 1.00 0.00 H new ATOM 0 HA LEU A 859 4.368 -5.839 11.287 1.00 0.00 H new ATOM 0 HB2 LEU A 859 3.187 -5.853 8.517 1.00 0.00 H new ATOM 0 HB3 LEU A 859 4.683 -6.717 8.811 1.00 0.00 H new ATOM 0 HG LEU A 859 2.154 -7.187 10.411 1.00 0.00 H new ATOM 0 HD11 LEU A 859 1.835 -9.195 9.018 1.00 0.00 H new ATOM 0 HD12 LEU A 859 1.734 -7.701 8.057 1.00 0.00 H new ATOM 0 HD13 LEU A 859 3.206 -8.699 7.998 1.00 0.00 H new ATOM 0 HD21 LEU A 859 3.272 -9.297 11.017 1.00 0.00 H new ATOM 0 HD22 LEU A 859 4.700 -8.806 10.075 1.00 0.00 H new ATOM 0 HD23 LEU A 859 4.223 -7.878 11.517 1.00 0.00 H new ATOM 1297 N CYS A 860 5.273 -3.691 8.924 1.00 0.00 N ATOM 1298 CA CYS A 860 6.426 -2.962 8.406 1.00 0.00 C ATOM 1299 C CYS A 860 6.933 -1.930 9.415 1.00 0.00 C ATOM 1300 O CYS A 860 8.135 -1.696 9.514 1.00 0.00 O ATOM 1301 CB CYS A 860 6.114 -2.285 7.067 1.00 0.00 C ATOM 1302 SG CYS A 860 4.358 -2.081 6.712 1.00 0.00 S ATOM 0 H CYS A 860 4.386 -3.465 8.474 1.00 0.00 H new ATOM 0 HA CYS A 860 7.214 -3.696 8.238 1.00 0.00 H new ATOM 0 HB2 CYS A 860 6.589 -1.304 7.053 1.00 0.00 H new ATOM 0 HB3 CYS A 860 6.566 -2.870 6.266 1.00 0.00 H new ATOM 0 HG CYS A 860 3.765 -3.236 6.778 1.00 0.00 H new ATOM 1308 N GLU A 861 6.018 -1.322 10.168 1.00 0.00 N ATOM 1309 CA GLU A 861 6.397 -0.356 11.200 1.00 0.00 C ATOM 1310 C GLU A 861 7.216 -1.036 12.290 1.00 0.00 C ATOM 1311 O GLU A 861 8.257 -0.530 12.713 1.00 0.00 O ATOM 1312 CB GLU A 861 5.156 0.299 11.809 1.00 0.00 C ATOM 1313 CG GLU A 861 4.605 1.440 10.970 1.00 0.00 C ATOM 1314 CD GLU A 861 5.216 2.783 11.320 1.00 0.00 C ATOM 1315 OE1 GLU A 861 6.380 2.825 11.782 1.00 0.00 O ATOM 1316 OE2 GLU A 861 4.541 3.809 11.115 1.00 0.00 O ATOM 0 H GLU A 861 5.014 -1.479 10.084 1.00 0.00 H new ATOM 0 HA GLU A 861 7.006 0.419 10.733 1.00 0.00 H new ATOM 0 HB2 GLU A 861 4.381 -0.456 11.936 1.00 0.00 H new ATOM 0 HB3 GLU A 861 5.402 0.674 12.803 1.00 0.00 H new ATOM 0 HG2 GLU A 861 4.786 1.229 9.916 1.00 0.00 H new ATOM 0 HG3 GLU A 861 3.525 1.493 11.104 1.00 0.00 H new ATOM 1323 N THR A 862 6.751 -2.194 12.734 1.00 0.00 N ATOM 1324 CA THR A 862 7.482 -2.966 13.722 1.00 0.00 C ATOM 1325 C THR A 862 8.809 -3.445 13.139 1.00 0.00 C ATOM 1326 O THR A 862 9.828 -3.466 13.830 1.00 0.00 O ATOM 1327 CB THR A 862 6.659 -4.171 14.220 1.00 0.00 C ATOM 1328 OG1 THR A 862 5.357 -3.732 14.630 1.00 0.00 O ATOM 1329 CG2 THR A 862 7.353 -4.862 15.385 1.00 0.00 C ATOM 0 H THR A 862 5.875 -2.616 12.426 1.00 0.00 H new ATOM 0 HA THR A 862 7.676 -2.316 14.575 1.00 0.00 H new ATOM 0 HB THR A 862 6.567 -4.884 13.401 1.00 0.00 H new ATOM 0 HG1 THR A 862 4.761 -3.705 13.853 1.00 0.00 H new ATOM 0 HG21 THR A 862 6.751 -5.708 15.717 1.00 0.00 H new ATOM 0 HG22 THR A 862 8.333 -5.217 15.066 1.00 0.00 H new ATOM 0 HG23 THR A 862 7.472 -4.157 16.208 1.00 0.00 H new ATOM 1337 N LEU A 863 8.793 -3.802 11.856 1.00 0.00 N ATOM 1338 CA LEU A 863 10.005 -4.205 11.156 1.00 0.00 C ATOM 1339 C LEU A 863 11.024 -3.071 11.161 1.00 0.00 C ATOM 1340 O LEU A 863 12.208 -3.296 11.401 1.00 0.00 O ATOM 1341 CB LEU A 863 9.687 -4.613 9.715 1.00 0.00 C ATOM 1342 CG LEU A 863 10.068 -6.046 9.347 1.00 0.00 C ATOM 1343 CD1 LEU A 863 9.637 -6.361 7.925 1.00 0.00 C ATOM 1344 CD2 LEU A 863 11.564 -6.259 9.510 1.00 0.00 C ATOM 0 H LEU A 863 7.950 -3.819 11.281 1.00 0.00 H new ATOM 0 HA LEU A 863 10.428 -5.064 11.677 1.00 0.00 H new ATOM 0 HB2 LEU A 863 8.618 -4.483 9.545 1.00 0.00 H new ATOM 0 HB3 LEU A 863 10.203 -3.931 9.039 1.00 0.00 H new ATOM 0 HG LEU A 863 9.549 -6.725 10.023 1.00 0.00 H new ATOM 0 HD11 LEU A 863 9.916 -7.386 7.679 1.00 0.00 H new ATOM 0 HD12 LEU A 863 8.556 -6.248 7.839 1.00 0.00 H new ATOM 0 HD13 LEU A 863 10.129 -5.675 7.235 1.00 0.00 H new ATOM 0 HD21 LEU A 863 11.817 -7.285 9.243 1.00 0.00 H new ATOM 0 HD22 LEU A 863 12.103 -5.572 8.858 1.00 0.00 H new ATOM 0 HD23 LEU A 863 11.847 -6.073 10.546 1.00 0.00 H new ATOM 1356 N GLU A 864 10.552 -1.857 10.907 1.00 0.00 N ATOM 1357 CA GLU A 864 11.402 -0.673 10.950 1.00 0.00 C ATOM 1358 C GLU A 864 12.059 -0.539 12.319 1.00 0.00 C ATOM 1359 O GLU A 864 13.261 -0.295 12.428 1.00 0.00 O ATOM 1360 CB GLU A 864 10.580 0.576 10.647 1.00 0.00 C ATOM 1361 CG GLU A 864 10.263 0.751 9.174 1.00 0.00 C ATOM 1362 CD GLU A 864 10.806 2.047 8.625 1.00 0.00 C ATOM 1363 OE1 GLU A 864 10.325 3.120 9.042 1.00 0.00 O ATOM 1364 OE2 GLU A 864 11.720 2.000 7.782 1.00 0.00 O ATOM 0 H GLU A 864 9.579 -1.666 10.668 1.00 0.00 H new ATOM 0 HA GLU A 864 12.181 -0.780 10.195 1.00 0.00 H new ATOM 0 HB2 GLU A 864 9.647 0.532 11.208 1.00 0.00 H new ATOM 0 HB3 GLU A 864 11.123 1.453 11.000 1.00 0.00 H new ATOM 0 HG2 GLU A 864 10.682 -0.084 8.612 1.00 0.00 H new ATOM 0 HG3 GLU A 864 9.183 0.722 9.030 1.00 0.00 H new ATOM 1371 N HIS A 865 11.260 -0.717 13.362 1.00 0.00 N ATOM 1372 CA HIS A 865 11.762 -0.668 14.729 1.00 0.00 C ATOM 1373 C HIS A 865 12.739 -1.812 14.979 1.00 0.00 C ATOM 1374 O HIS A 865 13.695 -1.663 15.732 1.00 0.00 O ATOM 1375 CB HIS A 865 10.599 -0.736 15.725 1.00 0.00 C ATOM 1376 CG HIS A 865 10.968 -0.328 17.122 1.00 0.00 C ATOM 1377 ND1 HIS A 865 10.819 0.958 17.595 1.00 0.00 N ATOM 1378 CD2 HIS A 865 11.474 -1.048 18.153 1.00 0.00 C ATOM 1379 CE1 HIS A 865 11.220 1.013 18.852 1.00 0.00 C ATOM 1380 NE2 HIS A 865 11.623 -0.191 19.213 1.00 0.00 N ATOM 0 H HIS A 865 10.259 -0.897 13.288 1.00 0.00 H new ATOM 0 HA HIS A 865 12.289 0.275 14.871 1.00 0.00 H new ATOM 0 HB2 HIS A 865 9.793 -0.094 15.371 1.00 0.00 H new ATOM 0 HB3 HIS A 865 10.210 -1.754 15.745 1.00 0.00 H new ATOM 0 HD2 HIS A 865 11.715 -2.101 18.142 1.00 0.00 H new ATOM 0 HE1 HIS A 865 11.218 1.893 19.478 1.00 0.00 H new ATOM 0 HE2 HIS A 865 11.987 -0.443 20.132 1.00 0.00 H new ATOM 1389 N LEU A 866 12.499 -2.951 14.347 1.00 0.00 N ATOM 1390 CA LEU A 866 13.395 -4.091 14.478 1.00 0.00 C ATOM 1391 C LEU A 866 14.728 -3.801 13.793 1.00 0.00 C ATOM 1392 O LEU A 866 15.789 -4.144 14.309 1.00 0.00 O ATOM 1393 CB LEU A 866 12.757 -5.349 13.887 1.00 0.00 C ATOM 1394 CG LEU A 866 11.618 -5.944 14.715 1.00 0.00 C ATOM 1395 CD1 LEU A 866 10.723 -6.807 13.844 1.00 0.00 C ATOM 1396 CD2 LEU A 866 12.168 -6.749 15.882 1.00 0.00 C ATOM 0 H LEU A 866 11.695 -3.111 13.740 1.00 0.00 H new ATOM 0 HA LEU A 866 13.578 -4.263 15.539 1.00 0.00 H new ATOM 0 HB2 LEU A 866 12.379 -5.114 12.892 1.00 0.00 H new ATOM 0 HB3 LEU A 866 13.531 -6.107 13.763 1.00 0.00 H new ATOM 0 HG LEU A 866 11.021 -5.126 15.117 1.00 0.00 H new ATOM 0 HD11 LEU A 866 9.918 -7.223 14.449 1.00 0.00 H new ATOM 0 HD12 LEU A 866 10.299 -6.200 13.044 1.00 0.00 H new ATOM 0 HD13 LEU A 866 11.309 -7.619 13.413 1.00 0.00 H new ATOM 0 HD21 LEU A 866 11.342 -7.164 16.459 1.00 0.00 H new ATOM 0 HD22 LEU A 866 12.790 -7.560 15.503 1.00 0.00 H new ATOM 0 HD23 LEU A 866 12.767 -6.100 16.521 1.00 0.00 H new ATOM 1408 N ILE A 867 14.664 -3.153 12.635 1.00 0.00 N ATOM 1409 CA ILE A 867 15.865 -2.765 11.906 1.00 0.00 C ATOM 1410 C ILE A 867 16.642 -1.700 12.678 1.00 0.00 C ATOM 1411 O ILE A 867 17.860 -1.791 12.820 1.00 0.00 O ATOM 1412 CB ILE A 867 15.522 -2.237 10.491 1.00 0.00 C ATOM 1413 CG1 ILE A 867 14.845 -3.331 9.665 1.00 0.00 C ATOM 1414 CG2 ILE A 867 16.773 -1.742 9.779 1.00 0.00 C ATOM 1415 CD1 ILE A 867 13.956 -2.796 8.562 1.00 0.00 C ATOM 0 H ILE A 867 13.791 -2.885 12.181 1.00 0.00 H new ATOM 0 HA ILE A 867 16.484 -3.656 11.800 1.00 0.00 H new ATOM 0 HB ILE A 867 14.834 -1.399 10.599 1.00 0.00 H new ATOM 0 HG12 ILE A 867 15.611 -3.969 9.225 1.00 0.00 H new ATOM 0 HG13 ILE A 867 14.249 -3.959 10.328 1.00 0.00 H new ATOM 0 HG21 ILE A 867 16.507 -1.376 8.787 1.00 0.00 H new ATOM 0 HG22 ILE A 867 17.224 -0.934 10.355 1.00 0.00 H new ATOM 0 HG23 ILE A 867 17.486 -2.561 9.684 1.00 0.00 H new ATOM 0 HD11 ILE A 867 13.510 -3.629 8.018 1.00 0.00 H new ATOM 0 HD12 ILE A 867 13.167 -2.182 8.996 1.00 0.00 H new ATOM 0 HD13 ILE A 867 14.550 -2.192 7.876 1.00 0.00 H new ATOM 1427 N ARG A 868 15.923 -0.706 13.194 1.00 0.00 N ATOM 1428 CA ARG A 868 16.540 0.369 13.967 1.00 0.00 C ATOM 1429 C ARG A 868 17.208 -0.180 15.226 1.00 0.00 C ATOM 1430 O ARG A 868 18.250 0.315 15.652 1.00 0.00 O ATOM 1431 CB ARG A 868 15.497 1.442 14.330 1.00 0.00 C ATOM 1432 CG ARG A 868 14.670 1.131 15.564 1.00 0.00 C ATOM 1433 CD ARG A 868 15.199 1.825 16.811 1.00 0.00 C ATOM 1434 NE ARG A 868 16.043 2.980 16.507 1.00 0.00 N ATOM 1435 CZ ARG A 868 17.225 3.209 17.082 1.00 0.00 C ATOM 1436 NH1 ARG A 868 17.711 2.367 17.985 1.00 0.00 N ATOM 1437 NH2 ARG A 868 17.926 4.283 16.747 1.00 0.00 N ATOM 0 H ARG A 868 14.912 -0.623 13.091 1.00 0.00 H new ATOM 0 HA ARG A 868 17.310 0.832 13.350 1.00 0.00 H new ATOM 0 HB2 ARG A 868 16.011 2.391 14.483 1.00 0.00 H new ATOM 0 HB3 ARG A 868 14.824 1.577 13.483 1.00 0.00 H new ATOM 0 HG2 ARG A 868 13.638 1.437 15.392 1.00 0.00 H new ATOM 0 HG3 ARG A 868 14.660 0.054 15.729 1.00 0.00 H new ATOM 0 HD2 ARG A 868 14.358 2.148 17.425 1.00 0.00 H new ATOM 0 HD3 ARG A 868 15.770 1.110 17.403 1.00 0.00 H new ATOM 0 HE ARG A 868 15.708 3.650 15.815 1.00 0.00 H new ATOM 0 HH11 ARG A 868 17.180 1.536 18.245 1.00 0.00 H new ATOM 0 HH12 ARG A 868 18.616 2.551 18.419 1.00 0.00 H new ATOM 0 HH21 ARG A 868 17.562 4.933 16.051 1.00 0.00 H new ATOM 0 HH22 ARG A 868 18.830 4.459 17.186 1.00 0.00 H new ATOM 1451 N GLU A 869 16.607 -1.211 15.813 1.00 0.00 N ATOM 1452 CA GLU A 869 17.121 -1.795 17.044 1.00 0.00 C ATOM 1453 C GLU A 869 18.109 -2.918 16.738 1.00 0.00 C ATOM 1454 O GLU A 869 18.676 -3.526 17.647 1.00 0.00 O ATOM 1455 CB GLU A 869 15.964 -2.325 17.897 1.00 0.00 C ATOM 1456 CG GLU A 869 15.102 -1.238 18.520 1.00 0.00 C ATOM 1457 CD GLU A 869 15.831 -0.419 19.564 1.00 0.00 C ATOM 1458 OE1 GLU A 869 16.855 0.202 19.231 1.00 0.00 O ATOM 1459 OE2 GLU A 869 15.362 -0.372 20.718 1.00 0.00 O ATOM 0 H GLU A 869 15.763 -1.658 15.454 1.00 0.00 H new ATOM 0 HA GLU A 869 17.646 -1.019 17.601 1.00 0.00 H new ATOM 0 HB2 GLU A 869 15.333 -2.963 17.278 1.00 0.00 H new ATOM 0 HB3 GLU A 869 16.370 -2.952 18.691 1.00 0.00 H new ATOM 0 HG2 GLU A 869 14.742 -0.574 17.734 1.00 0.00 H new ATOM 0 HG3 GLU A 869 14.225 -1.697 18.976 1.00 0.00 H new ATOM 1466 N LYS A 870 18.314 -3.167 15.446 1.00 0.00 N ATOM 1467 CA LYS A 870 19.199 -4.223 14.968 1.00 0.00 C ATOM 1468 C LYS A 870 18.829 -5.588 15.549 1.00 0.00 C ATOM 1469 O LYS A 870 19.697 -6.366 15.947 1.00 0.00 O ATOM 1470 CB LYS A 870 20.656 -3.883 15.278 1.00 0.00 C ATOM 1471 CG LYS A 870 21.510 -3.747 14.033 1.00 0.00 C ATOM 1472 CD LYS A 870 21.746 -2.290 13.671 1.00 0.00 C ATOM 1473 CE LYS A 870 23.082 -2.104 12.969 1.00 0.00 C ATOM 1474 NZ LYS A 870 24.084 -1.450 13.847 1.00 0.00 N ATOM 0 H LYS A 870 17.867 -2.637 14.698 1.00 0.00 H new ATOM 0 HA LYS A 870 19.075 -4.287 13.887 1.00 0.00 H new ATOM 0 HB2 LYS A 870 20.694 -2.951 15.842 1.00 0.00 H new ATOM 0 HB3 LYS A 870 21.076 -4.659 15.917 1.00 0.00 H new ATOM 0 HG2 LYS A 870 22.468 -4.242 14.193 1.00 0.00 H new ATOM 0 HG3 LYS A 870 21.023 -4.255 13.200 1.00 0.00 H new ATOM 0 HD2 LYS A 870 20.941 -1.939 13.025 1.00 0.00 H new ATOM 0 HD3 LYS A 870 21.719 -1.680 14.574 1.00 0.00 H new ATOM 0 HE2 LYS A 870 23.460 -3.074 12.647 1.00 0.00 H new ATOM 0 HE3 LYS A 870 22.939 -1.503 12.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 870 24.980 -1.342 13.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 870 23.735 -0.513 14.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 870 24.240 -2.036 14.692 1.00 0.00 H new ATOM 1488 N ASP A 871 17.537 -5.876 15.585 1.00 0.00 N ATOM 1489 CA ASP A 871 17.060 -7.173 16.038 1.00 0.00 C ATOM 1490 C ASP A 871 16.931 -8.109 14.847 1.00 0.00 C ATOM 1491 O ASP A 871 15.842 -8.302 14.309 1.00 0.00 O ATOM 1492 CB ASP A 871 15.719 -7.043 16.762 1.00 0.00 C ATOM 1493 CG ASP A 871 15.456 -8.213 17.688 1.00 0.00 C ATOM 1494 OD1 ASP A 871 14.981 -9.267 17.213 1.00 0.00 O ATOM 1495 OD2 ASP A 871 15.728 -8.084 18.901 1.00 0.00 O ATOM 0 H ASP A 871 16.800 -5.229 15.306 1.00 0.00 H new ATOM 0 HA ASP A 871 17.781 -7.584 16.745 1.00 0.00 H new ATOM 0 HB2 ASP A 871 15.706 -6.117 17.336 1.00 0.00 H new ATOM 0 HB3 ASP A 871 14.916 -6.975 16.028 1.00 0.00 H new ATOM 1500 N VAL A 872 18.062 -8.666 14.430 1.00 0.00 N ATOM 1501 CA VAL A 872 18.126 -9.511 13.238 1.00 0.00 C ATOM 1502 C VAL A 872 17.105 -10.661 13.267 1.00 0.00 C ATOM 1503 O VAL A 872 16.380 -10.854 12.290 1.00 0.00 O ATOM 1504 CB VAL A 872 19.543 -10.083 13.018 1.00 0.00 C ATOM 1505 CG1 VAL A 872 19.763 -10.408 11.552 1.00 0.00 C ATOM 1506 CG2 VAL A 872 20.604 -9.109 13.512 1.00 0.00 C ATOM 0 H VAL A 872 18.957 -8.547 14.904 1.00 0.00 H new ATOM 0 HA VAL A 872 17.872 -8.858 12.403 1.00 0.00 H new ATOM 0 HB VAL A 872 19.631 -11.004 13.595 1.00 0.00 H new ATOM 0 HG11 VAL A 872 20.767 -10.810 11.415 1.00 0.00 H new ATOM 0 HG12 VAL A 872 19.029 -11.146 11.229 1.00 0.00 H new ATOM 0 HG13 VAL A 872 19.651 -9.501 10.958 1.00 0.00 H new ATOM 0 HG21 VAL A 872 21.594 -9.534 13.346 1.00 0.00 H new ATOM 0 HG22 VAL A 872 20.517 -8.169 12.967 1.00 0.00 H new ATOM 0 HG23 VAL A 872 20.462 -8.925 14.577 1.00 0.00 H new ATOM 1516 N PRO A 873 17.026 -11.453 14.364 1.00 0.00 N ATOM 1517 CA PRO A 873 16.033 -12.529 14.480 1.00 0.00 C ATOM 1518 C PRO A 873 14.600 -12.020 14.319 1.00 0.00 C ATOM 1519 O PRO A 873 13.787 -12.643 13.628 1.00 0.00 O ATOM 1520 CB PRO A 873 16.249 -13.090 15.894 1.00 0.00 C ATOM 1521 CG PRO A 873 17.064 -12.064 16.606 1.00 0.00 C ATOM 1522 CD PRO A 873 17.894 -11.395 15.553 1.00 0.00 C ATOM 0 HA PRO A 873 16.161 -13.275 13.696 1.00 0.00 H new ATOM 0 HB2 PRO A 873 15.298 -13.257 16.400 1.00 0.00 H new ATOM 0 HB3 PRO A 873 16.766 -14.049 15.862 1.00 0.00 H new ATOM 0 HG2 PRO A 873 16.425 -11.343 17.116 1.00 0.00 H new ATOM 0 HG3 PRO A 873 17.695 -12.525 17.366 1.00 0.00 H new ATOM 0 HD2 PRO A 873 18.140 -10.368 15.824 1.00 0.00 H new ATOM 0 HD3 PRO A 873 18.837 -11.916 15.390 1.00 0.00 H new ATOM 1530 N GLY A 874 14.301 -10.889 14.950 1.00 0.00 N ATOM 1531 CA GLY A 874 12.988 -10.287 14.817 1.00 0.00 C ATOM 1532 C GLY A 874 12.709 -9.853 13.396 1.00 0.00 C ATOM 1533 O GLY A 874 11.621 -10.093 12.869 1.00 0.00 O ATOM 0 H GLY A 874 14.946 -10.378 15.552 1.00 0.00 H new ATOM 0 HA2 GLY A 874 12.228 -11.000 15.135 1.00 0.00 H new ATOM 0 HA3 GLY A 874 12.914 -9.426 15.481 1.00 0.00 H new ATOM 1537 N ILE A 875 13.701 -9.225 12.771 1.00 0.00 N ATOM 1538 CA ILE A 875 13.599 -8.818 11.374 1.00 0.00 C ATOM 1539 C ILE A 875 13.266 -10.017 10.494 1.00 0.00 C ATOM 1540 O ILE A 875 12.314 -9.979 9.717 1.00 0.00 O ATOM 1541 CB ILE A 875 14.913 -8.169 10.868 1.00 0.00 C ATOM 1542 CG1 ILE A 875 15.168 -6.838 11.576 1.00 0.00 C ATOM 1543 CG2 ILE A 875 14.877 -7.962 9.358 1.00 0.00 C ATOM 1544 CD1 ILE A 875 16.614 -6.389 11.519 1.00 0.00 C ATOM 0 H ILE A 875 14.589 -8.986 13.213 1.00 0.00 H new ATOM 0 HA ILE A 875 12.800 -8.079 11.312 1.00 0.00 H new ATOM 0 HB ILE A 875 15.731 -8.851 11.101 1.00 0.00 H new ATOM 0 HG12 ILE A 875 14.540 -6.070 11.125 1.00 0.00 H new ATOM 0 HG13 ILE A 875 14.864 -6.927 12.619 1.00 0.00 H new ATOM 0 HG21 ILE A 875 15.811 -7.505 9.031 1.00 0.00 H new ATOM 0 HG22 ILE A 875 14.750 -8.924 8.862 1.00 0.00 H new ATOM 0 HG23 ILE A 875 14.044 -7.308 9.100 1.00 0.00 H new ATOM 0 HD11 ILE A 875 16.721 -5.438 12.041 1.00 0.00 H new ATOM 0 HD12 ILE A 875 17.247 -7.138 11.996 1.00 0.00 H new ATOM 0 HD13 ILE A 875 16.917 -6.268 10.479 1.00 0.00 H new ATOM 1556 N GLU A 876 14.036 -11.089 10.656 1.00 0.00 N ATOM 1557 CA GLU A 876 13.848 -12.310 9.879 1.00 0.00 C ATOM 1558 C GLU A 876 12.411 -12.809 9.985 1.00 0.00 C ATOM 1559 O GLU A 876 11.755 -13.087 8.974 1.00 0.00 O ATOM 1560 CB GLU A 876 14.788 -13.399 10.390 1.00 0.00 C ATOM 1561 CG GLU A 876 16.162 -13.381 9.757 1.00 0.00 C ATOM 1562 CD GLU A 876 16.728 -14.773 9.604 1.00 0.00 C ATOM 1563 OE1 GLU A 876 16.353 -15.470 8.638 1.00 0.00 O ATOM 1564 OE2 GLU A 876 17.546 -15.181 10.458 1.00 0.00 O ATOM 0 H GLU A 876 14.804 -11.136 11.326 1.00 0.00 H new ATOM 0 HA GLU A 876 14.068 -12.083 8.836 1.00 0.00 H new ATOM 0 HB2 GLU A 876 14.896 -13.292 11.469 1.00 0.00 H new ATOM 0 HB3 GLU A 876 14.330 -14.372 10.210 1.00 0.00 H new ATOM 0 HG2 GLU A 876 16.105 -12.902 8.779 1.00 0.00 H new ATOM 0 HG3 GLU A 876 16.836 -12.780 10.368 1.00 0.00 H new ATOM 1571 N LYS A 877 11.931 -12.896 11.219 1.00 0.00 N ATOM 1572 CA LYS A 877 10.599 -13.400 11.500 1.00 0.00 C ATOM 1573 C LYS A 877 9.532 -12.513 10.870 1.00 0.00 C ATOM 1574 O LYS A 877 8.548 -13.005 10.326 1.00 0.00 O ATOM 1575 CB LYS A 877 10.385 -13.479 13.014 1.00 0.00 C ATOM 1576 CG LYS A 877 9.125 -14.220 13.418 1.00 0.00 C ATOM 1577 CD LYS A 877 8.309 -13.418 14.420 1.00 0.00 C ATOM 1578 CE LYS A 877 6.852 -13.324 13.998 1.00 0.00 C ATOM 1579 NZ LYS A 877 6.175 -14.646 14.047 1.00 0.00 N ATOM 0 H LYS A 877 12.455 -12.619 12.049 1.00 0.00 H new ATOM 0 HA LYS A 877 10.511 -14.396 11.067 1.00 0.00 H new ATOM 0 HB2 LYS A 877 11.245 -13.971 13.468 1.00 0.00 H new ATOM 0 HB3 LYS A 877 10.346 -12.468 13.419 1.00 0.00 H new ATOM 0 HG2 LYS A 877 8.521 -14.423 12.534 1.00 0.00 H new ATOM 0 HG3 LYS A 877 9.391 -15.184 13.851 1.00 0.00 H new ATOM 0 HD2 LYS A 877 8.376 -13.885 15.403 1.00 0.00 H new ATOM 0 HD3 LYS A 877 8.728 -12.416 14.514 1.00 0.00 H new ATOM 0 HE2 LYS A 877 6.330 -12.624 14.650 1.00 0.00 H new ATOM 0 HE3 LYS A 877 6.792 -12.923 12.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 877 5.722 -14.838 13.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 877 6.876 -15.388 14.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 877 5.453 -14.639 14.795 1.00 0.00 H new ATOM 1593 N TYR A 878 9.735 -11.207 10.933 1.00 0.00 N ATOM 1594 CA TYR A 878 8.748 -10.271 10.422 1.00 0.00 C ATOM 1595 C TYR A 878 8.775 -10.210 8.902 1.00 0.00 C ATOM 1596 O TYR A 878 7.742 -9.993 8.272 1.00 0.00 O ATOM 1597 CB TYR A 878 8.946 -8.889 11.033 1.00 0.00 C ATOM 1598 CG TYR A 878 8.031 -8.650 12.212 1.00 0.00 C ATOM 1599 CD1 TYR A 878 8.142 -9.419 13.361 1.00 0.00 C ATOM 1600 CD2 TYR A 878 7.046 -7.673 12.169 1.00 0.00 C ATOM 1601 CE1 TYR A 878 7.300 -9.221 14.438 1.00 0.00 C ATOM 1602 CE2 TYR A 878 6.198 -7.471 13.240 1.00 0.00 C ATOM 1603 CZ TYR A 878 6.329 -8.246 14.372 1.00 0.00 C ATOM 1604 OH TYR A 878 5.481 -8.049 15.439 1.00 0.00 O ATOM 0 H TYR A 878 10.569 -10.774 11.330 1.00 0.00 H new ATOM 0 HA TYR A 878 7.762 -10.632 10.716 1.00 0.00 H new ATOM 0 HB2 TYR A 878 9.983 -8.780 11.352 1.00 0.00 H new ATOM 0 HB3 TYR A 878 8.764 -8.128 10.274 1.00 0.00 H new ATOM 0 HD1 TYR A 878 8.900 -10.186 13.415 1.00 0.00 H new ATOM 0 HD2 TYR A 878 6.941 -7.062 11.285 1.00 0.00 H new ATOM 0 HE1 TYR A 878 7.402 -9.827 15.326 1.00 0.00 H new ATOM 0 HE2 TYR A 878 5.435 -6.708 13.191 1.00 0.00 H new ATOM 0 HH TYR A 878 4.856 -7.323 15.231 1.00 0.00 H new ATOM 1614 N ILE A 879 9.949 -10.400 8.310 1.00 0.00 N ATOM 1615 CA ILE A 879 10.053 -10.482 6.858 1.00 0.00 C ATOM 1616 C ILE A 879 9.213 -11.649 6.351 1.00 0.00 C ATOM 1617 O ILE A 879 8.386 -11.492 5.448 1.00 0.00 O ATOM 1618 CB ILE A 879 11.517 -10.656 6.378 1.00 0.00 C ATOM 1619 CG1 ILE A 879 12.362 -9.435 6.762 1.00 0.00 C ATOM 1620 CG2 ILE A 879 11.568 -10.885 4.871 1.00 0.00 C ATOM 1621 CD1 ILE A 879 12.107 -8.209 5.910 1.00 0.00 C ATOM 0 H ILE A 879 10.834 -10.499 8.807 1.00 0.00 H new ATOM 0 HA ILE A 879 9.684 -9.540 6.452 1.00 0.00 H new ATOM 0 HB ILE A 879 11.933 -11.533 6.873 1.00 0.00 H new ATOM 0 HG12 ILE A 879 12.166 -9.186 7.805 1.00 0.00 H new ATOM 0 HG13 ILE A 879 13.417 -9.700 6.690 1.00 0.00 H new ATOM 0 HG21 ILE A 879 12.605 -11.004 4.556 1.00 0.00 H new ATOM 0 HG22 ILE A 879 11.007 -11.785 4.621 1.00 0.00 H new ATOM 0 HG23 ILE A 879 11.129 -10.029 4.358 1.00 0.00 H new ATOM 0 HD11 ILE A 879 12.745 -7.392 6.248 1.00 0.00 H new ATOM 0 HD12 ILE A 879 12.331 -8.437 4.868 1.00 0.00 H new ATOM 0 HD13 ILE A 879 11.061 -7.914 6.000 1.00 0.00 H new ATOM 1633 N SER A 880 9.397 -12.812 6.964 1.00 0.00 N ATOM 1634 CA SER A 880 8.648 -13.995 6.572 1.00 0.00 C ATOM 1635 C SER A 880 7.176 -13.852 6.953 1.00 0.00 C ATOM 1636 O SER A 880 6.301 -14.419 6.303 1.00 0.00 O ATOM 1637 CB SER A 880 9.247 -15.249 7.209 1.00 0.00 C ATOM 1638 OG SER A 880 9.908 -14.942 8.426 1.00 0.00 O ATOM 0 H SER A 880 10.055 -12.959 7.730 1.00 0.00 H new ATOM 0 HA SER A 880 8.714 -14.096 5.489 1.00 0.00 H new ATOM 0 HB2 SER A 880 8.458 -15.978 7.395 1.00 0.00 H new ATOM 0 HB3 SER A 880 9.951 -15.711 6.517 1.00 0.00 H new ATOM 0 HG SER A 880 10.763 -14.504 8.232 1.00 0.00 H new ATOM 1644 N ASP A 881 6.908 -13.090 8.010 1.00 0.00 N ATOM 1645 CA ASP A 881 5.537 -12.831 8.448 1.00 0.00 C ATOM 1646 C ASP A 881 4.809 -11.946 7.442 1.00 0.00 C ATOM 1647 O ASP A 881 3.607 -12.096 7.223 1.00 0.00 O ATOM 1648 CB ASP A 881 5.521 -12.171 9.829 1.00 0.00 C ATOM 1649 CG ASP A 881 4.813 -13.019 10.868 1.00 0.00 C ATOM 1650 OD1 ASP A 881 5.247 -14.164 11.108 1.00 0.00 O ATOM 1651 OD2 ASP A 881 3.825 -12.543 11.458 1.00 0.00 O ATOM 0 H ASP A 881 7.623 -12.640 8.581 1.00 0.00 H new ATOM 0 HA ASP A 881 5.021 -13.789 8.513 1.00 0.00 H new ATOM 0 HB2 ASP A 881 6.545 -11.986 10.152 1.00 0.00 H new ATOM 0 HB3 ASP A 881 5.029 -11.201 9.759 1.00 0.00 H new ATOM 1656 N ILE A 882 5.543 -11.022 6.833 1.00 0.00 N ATOM 1657 CA ILE A 882 5.001 -10.200 5.759 1.00 0.00 C ATOM 1658 C ILE A 882 4.805 -11.052 4.506 1.00 0.00 C ATOM 1659 O ILE A 882 3.853 -10.858 3.747 1.00 0.00 O ATOM 1660 CB ILE A 882 5.915 -8.987 5.443 1.00 0.00 C ATOM 1661 CG1 ILE A 882 5.834 -7.964 6.582 1.00 0.00 C ATOM 1662 CG2 ILE A 882 5.531 -8.342 4.112 1.00 0.00 C ATOM 1663 CD1 ILE A 882 6.478 -6.631 6.261 1.00 0.00 C ATOM 0 H ILE A 882 6.516 -10.824 7.065 1.00 0.00 H new ATOM 0 HA ILE A 882 4.039 -9.808 6.090 1.00 0.00 H new ATOM 0 HB ILE A 882 6.942 -9.341 5.356 1.00 0.00 H new ATOM 0 HG12 ILE A 882 4.786 -7.798 6.834 1.00 0.00 H new ATOM 0 HG13 ILE A 882 6.312 -8.383 7.467 1.00 0.00 H new ATOM 0 HG21 ILE A 882 6.188 -7.495 3.916 1.00 0.00 H new ATOM 0 HG22 ILE A 882 5.633 -9.074 3.310 1.00 0.00 H new ATOM 0 HG23 ILE A 882 4.498 -7.997 4.159 1.00 0.00 H new ATOM 0 HD11 ILE A 882 6.378 -5.963 7.117 1.00 0.00 H new ATOM 0 HD12 ILE A 882 7.535 -6.781 6.039 1.00 0.00 H new ATOM 0 HD13 ILE A 882 5.985 -6.188 5.396 1.00 0.00 H new ATOM 1675 N ASP A 883 5.691 -12.023 4.321 1.00 0.00 N ATOM 1676 CA ASP A 883 5.635 -12.894 3.158 1.00 0.00 C ATOM 1677 C ASP A 883 4.430 -13.802 3.269 1.00 0.00 C ATOM 1678 O ASP A 883 3.668 -13.969 2.318 1.00 0.00 O ATOM 1679 CB ASP A 883 6.913 -13.728 3.057 1.00 0.00 C ATOM 1680 CG ASP A 883 6.757 -14.947 2.167 1.00 0.00 C ATOM 1681 OD1 ASP A 883 6.866 -14.809 0.931 1.00 0.00 O ATOM 1682 OD2 ASP A 883 6.533 -16.052 2.697 1.00 0.00 O ATOM 0 H ASP A 883 6.457 -12.226 4.963 1.00 0.00 H new ATOM 0 HA ASP A 883 5.548 -12.285 2.258 1.00 0.00 H new ATOM 0 HB2 ASP A 883 7.718 -13.103 2.670 1.00 0.00 H new ATOM 0 HB3 ASP A 883 7.210 -14.049 4.055 1.00 0.00 H new ATOM 1687 N SER A 884 4.259 -14.363 4.452 1.00 0.00 N ATOM 1688 CA SER A 884 3.129 -15.217 4.747 1.00 0.00 C ATOM 1689 C SER A 884 1.834 -14.410 4.713 1.00 0.00 C ATOM 1690 O SER A 884 0.782 -14.920 4.324 1.00 0.00 O ATOM 1691 CB SER A 884 3.334 -15.863 6.113 1.00 0.00 C ATOM 1692 OG SER A 884 3.790 -14.922 7.062 1.00 0.00 O ATOM 0 H SER A 884 4.902 -14.238 5.234 1.00 0.00 H new ATOM 0 HA SER A 884 3.054 -16.000 3.993 1.00 0.00 H new ATOM 0 HB2 SER A 884 2.397 -16.302 6.454 1.00 0.00 H new ATOM 0 HB3 SER A 884 4.055 -16.676 6.029 1.00 0.00 H new ATOM 0 HG SER A 884 4.769 -14.891 7.047 1.00 0.00 H new ATOM 1698 N TYR A 885 1.934 -13.142 5.102 1.00 0.00 N ATOM 1699 CA TYR A 885 0.803 -12.219 5.041 1.00 0.00 C ATOM 1700 C TYR A 885 0.286 -12.140 3.625 1.00 0.00 C ATOM 1701 O TYR A 885 -0.871 -12.443 3.325 1.00 0.00 O ATOM 1702 CB TYR A 885 1.252 -10.817 5.442 1.00 0.00 C ATOM 1703 CG TYR A 885 0.113 -9.869 5.737 1.00 0.00 C ATOM 1704 CD1 TYR A 885 -0.794 -10.126 6.756 1.00 0.00 C ATOM 1705 CD2 TYR A 885 -0.057 -8.720 4.977 1.00 0.00 C ATOM 1706 CE1 TYR A 885 -1.844 -9.261 7.008 1.00 0.00 C ATOM 1707 CE2 TYR A 885 -1.098 -7.850 5.223 1.00 0.00 C ATOM 1708 CZ TYR A 885 -1.990 -8.124 6.239 1.00 0.00 C ATOM 1709 OH TYR A 885 -3.037 -7.261 6.479 1.00 0.00 O ATOM 0 H TYR A 885 2.792 -12.728 5.465 1.00 0.00 H new ATOM 0 HA TYR A 885 0.028 -12.581 5.717 1.00 0.00 H new ATOM 0 HB2 TYR A 885 1.889 -10.889 6.323 1.00 0.00 H new ATOM 0 HB3 TYR A 885 1.862 -10.399 4.641 1.00 0.00 H new ATOM 0 HD1 TYR A 885 -0.678 -11.013 7.360 1.00 0.00 H new ATOM 0 HD2 TYR A 885 0.638 -8.504 4.179 1.00 0.00 H new ATOM 0 HE1 TYR A 885 -2.545 -9.474 7.801 1.00 0.00 H new ATOM 0 HE2 TYR A 885 -1.214 -6.959 4.624 1.00 0.00 H new ATOM 0 HH TYR A 885 -3.500 -7.066 5.637 1.00 0.00 H new ATOM 1719 N VAL A 886 1.199 -11.752 2.768 1.00 0.00 N ATOM 1720 CA VAL A 886 0.933 -11.536 1.373 1.00 0.00 C ATOM 1721 C VAL A 886 0.567 -12.859 0.691 1.00 0.00 C ATOM 1722 O VAL A 886 -0.311 -12.899 -0.167 1.00 0.00 O ATOM 1723 CB VAL A 886 2.182 -10.877 0.755 1.00 0.00 C ATOM 1724 CG1 VAL A 886 2.399 -11.277 -0.697 1.00 0.00 C ATOM 1725 CG2 VAL A 886 2.093 -9.365 0.888 1.00 0.00 C ATOM 0 H VAL A 886 2.169 -11.575 3.031 1.00 0.00 H new ATOM 0 HA VAL A 886 0.079 -10.874 1.232 1.00 0.00 H new ATOM 0 HB VAL A 886 3.047 -11.239 1.310 1.00 0.00 H new ATOM 0 HG11 VAL A 886 3.292 -10.784 -1.081 1.00 0.00 H new ATOM 0 HG12 VAL A 886 2.525 -12.358 -0.762 1.00 0.00 H new ATOM 0 HG13 VAL A 886 1.535 -10.977 -1.290 1.00 0.00 H new ATOM 0 HG21 VAL A 886 2.980 -8.908 0.449 1.00 0.00 H new ATOM 0 HG22 VAL A 886 1.205 -9.006 0.369 1.00 0.00 H new ATOM 0 HG23 VAL A 886 2.031 -9.096 1.942 1.00 0.00 H new ATOM 1735 N LYS A 887 1.212 -13.940 1.128 1.00 0.00 N ATOM 1736 CA LYS A 887 0.912 -15.285 0.636 1.00 0.00 C ATOM 1737 C LYS A 887 -0.561 -15.623 0.836 1.00 0.00 C ATOM 1738 O LYS A 887 -1.222 -16.137 -0.068 1.00 0.00 O ATOM 1739 CB LYS A 887 1.765 -16.319 1.378 1.00 0.00 C ATOM 1740 CG LYS A 887 2.898 -16.904 0.555 1.00 0.00 C ATOM 1741 CD LYS A 887 3.878 -17.655 1.441 1.00 0.00 C ATOM 1742 CE LYS A 887 4.897 -18.425 0.621 1.00 0.00 C ATOM 1743 NZ LYS A 887 6.283 -17.955 0.880 1.00 0.00 N ATOM 0 H LYS A 887 1.953 -13.910 1.829 1.00 0.00 H new ATOM 0 HA LYS A 887 1.141 -15.310 -0.429 1.00 0.00 H new ATOM 0 HB2 LYS A 887 2.183 -15.854 2.271 1.00 0.00 H new ATOM 0 HB3 LYS A 887 1.120 -17.131 1.714 1.00 0.00 H new ATOM 0 HG2 LYS A 887 2.494 -17.578 -0.201 1.00 0.00 H new ATOM 0 HG3 LYS A 887 3.418 -16.106 0.025 1.00 0.00 H new ATOM 0 HD2 LYS A 887 4.393 -16.950 2.093 1.00 0.00 H new ATOM 0 HD3 LYS A 887 3.332 -18.345 2.085 1.00 0.00 H new ATOM 0 HE2 LYS A 887 4.824 -19.487 0.855 1.00 0.00 H new ATOM 0 HE3 LYS A 887 4.668 -18.315 -0.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 887 6.923 -18.773 0.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 887 6.587 -17.328 0.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 887 6.311 -17.435 1.780 1.00 0.00 H new ATOM 1757 N SER A 888 -1.066 -15.323 2.025 1.00 0.00 N ATOM 1758 CA SER A 888 -2.444 -15.630 2.375 1.00 0.00 C ATOM 1759 C SER A 888 -3.397 -14.552 1.866 1.00 0.00 C ATOM 1760 O SER A 888 -4.610 -14.756 1.818 1.00 0.00 O ATOM 1761 CB SER A 888 -2.575 -15.782 3.892 1.00 0.00 C ATOM 1762 OG SER A 888 -1.415 -16.389 4.446 1.00 0.00 O ATOM 0 H SER A 888 -0.537 -14.864 2.767 1.00 0.00 H new ATOM 0 HA SER A 888 -2.717 -16.570 1.896 1.00 0.00 H new ATOM 0 HB2 SER A 888 -2.730 -14.804 4.347 1.00 0.00 H new ATOM 0 HB3 SER A 888 -3.452 -16.385 4.126 1.00 0.00 H new ATOM 0 HG SER A 888 -0.757 -15.697 4.666 1.00 0.00 H new ATOM 1768 N LEU A 889 -2.842 -13.403 1.498 1.00 0.00 N ATOM 1769 CA LEU A 889 -3.641 -12.313 0.959 1.00 0.00 C ATOM 1770 C LEU A 889 -4.035 -12.594 -0.487 1.00 0.00 C ATOM 1771 O LEU A 889 -5.106 -12.187 -0.932 1.00 0.00 O ATOM 1772 CB LEU A 889 -2.878 -10.986 1.049 1.00 0.00 C ATOM 1773 CG LEU A 889 -3.160 -10.142 2.300 1.00 0.00 C ATOM 1774 CD1 LEU A 889 -3.195 -8.666 1.943 1.00 0.00 C ATOM 1775 CD2 LEU A 889 -4.470 -10.557 2.960 1.00 0.00 C ATOM 0 H LEU A 889 -1.844 -13.204 1.563 1.00 0.00 H new ATOM 0 HA LEU A 889 -4.549 -12.235 1.557 1.00 0.00 H new ATOM 0 HB2 LEU A 889 -1.810 -11.198 1.009 1.00 0.00 H new ATOM 0 HB3 LEU A 889 -3.117 -10.389 0.169 1.00 0.00 H new ATOM 0 HG LEU A 889 -2.353 -10.315 3.012 1.00 0.00 H new ATOM 0 HD11 LEU A 889 -3.396 -8.079 2.840 1.00 0.00 H new ATOM 0 HD12 LEU A 889 -2.233 -8.370 1.524 1.00 0.00 H new ATOM 0 HD13 LEU A 889 -3.981 -8.488 1.209 1.00 0.00 H new ATOM 0 HD21 LEU A 889 -4.643 -9.942 3.843 1.00 0.00 H new ATOM 0 HD22 LEU A 889 -5.291 -10.421 2.256 1.00 0.00 H new ATOM 0 HD23 LEU A 889 -4.414 -11.605 3.253 1.00 0.00 H new ATOM 1787 N LEU A 890 -3.159 -13.268 -1.221 1.00 0.00 N ATOM 1788 CA LEU A 890 -3.469 -13.667 -2.588 1.00 0.00 C ATOM 1789 C LEU A 890 -3.621 -15.182 -2.676 1.00 0.00 C ATOM 1790 O LEU A 890 -4.244 -15.772 -1.771 1.00 0.00 O ATOM 1791 CB LEU A 890 -2.393 -13.182 -3.569 1.00 0.00 C ATOM 1792 CG LEU A 890 -0.964 -13.138 -3.021 1.00 0.00 C ATOM 1793 CD1 LEU A 890 -0.124 -14.262 -3.611 1.00 0.00 C ATOM 1794 CD2 LEU A 890 -0.324 -11.789 -3.312 1.00 0.00 C ATOM 1795 OXT LEU A 890 -3.117 -15.783 -3.650 1.00 0.00 O ATOM 0 H LEU A 890 -2.234 -13.548 -0.896 1.00 0.00 H new ATOM 0 HA LEU A 890 -4.413 -13.199 -2.868 1.00 0.00 H new ATOM 0 HB2 LEU A 890 -2.407 -13.831 -4.444 1.00 0.00 H new ATOM 0 HB3 LEU A 890 -2.662 -12.182 -3.910 1.00 0.00 H new ATOM 0 HG LEU A 890 -1.009 -13.276 -1.941 1.00 0.00 H new ATOM 0 HD11 LEU A 890 0.887 -14.211 -3.207 1.00 0.00 H new ATOM 0 HD12 LEU A 890 -0.569 -15.223 -3.353 1.00 0.00 H new ATOM 0 HD13 LEU A 890 -0.087 -14.158 -4.695 1.00 0.00 H new ATOM 0 HD21 LEU A 890 0.691 -11.775 -2.916 1.00 0.00 H new ATOM 0 HD22 LEU A 890 -0.295 -11.625 -4.389 1.00 0.00 H new ATOM 0 HD23 LEU A 890 -0.909 -10.999 -2.840 1.00 0.00 H new