USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 594 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 840 MET CE :methyl 139:sc= -2.84! (180deg=-3.79!) USER MOD Set 1.2: A 881 MET CE :methyl -133:sc= -1.69 (180deg=-2.76!) USER MOD Set 2.1: A 845 THR OG1 : rot -100:sc= 0.19 USER MOD Set 2.2: A 892 ASN : amide:sc= -0.404 X(o=-0.21,f=0.0054) USER MOD Single : A 829 GLN : amide:sc= -0.0972 K(o=-0.097,f=-0.8) USER MOD Single : A 830 TYR OH : rot 180:sc= 0 USER MOD Single : A 831 GLN : amide:sc= -0.392 X(o=-0.39,f=-0.39) USER MOD Single : A 841 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 842 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 844 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 847 SER OG : rot 180:sc= 0 USER MOD Single : A 848 HIS : no HE2:sc= -1.85 X(o=-1.9,f=-2.1) USER MOD Single : A 849 ASN : amide:sc= -0.0555 K(o=-0.055,f=-1.1!) USER MOD Single : A 853 SER OG : rot 180:sc= 0 USER MOD Single : A 856 TYR OH : rot 180:sc= -0.139 USER MOD Single : A 857 ASN : amide:sc= -1.17 K(o=-1.2,f=-2!) USER MOD Single : A 858 GLN :FLIP amide:sc= -0.581 F(o=-4!,f=-0.58) USER MOD Single : A 860 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 864 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 869 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00268) USER MOD Single : A 870 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 874 SER OG : rot 180:sc= 0.0136 USER MOD Single : A 880 TYR OH : rot 180:sc= 0 USER MOD Single : A 885 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 887 ASN : amide:sc= -4.06! C(o=-4.1!,f=-3.6!) USER MOD Single : A 889 ASN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 890 GLN : amide:sc= -0.668 X(o=-0.67,f=-0.65) USER MOD Single : A 891 TYR OH : rot 42:sc= 0 USER MOD Single : A 893 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 386 N ARG A 828 2.826 6.642 11.893 1.00 0.00 N ATOM 387 CA ARG A 828 3.980 6.730 11.006 1.00 0.00 C ATOM 388 C ARG A 828 4.776 5.428 11.020 1.00 0.00 C ATOM 389 O ARG A 828 4.839 4.718 10.016 1.00 0.00 O ATOM 390 CB ARG A 828 4.881 7.895 11.419 1.00 0.00 C ATOM 391 CG ARG A 828 4.527 9.208 10.739 1.00 0.00 C ATOM 392 CD ARG A 828 5.753 10.090 10.560 1.00 0.00 C ATOM 393 NE ARG A 828 5.463 11.272 9.753 1.00 0.00 N ATOM 394 CZ ARG A 828 6.389 11.949 9.082 1.00 0.00 C ATOM 395 NH1 ARG A 828 7.656 11.562 9.121 1.00 0.00 N ATOM 396 NH2 ARG A 828 6.047 13.016 8.371 1.00 0.00 N ATOM 0 HA ARG A 828 3.616 6.903 9.993 1.00 0.00 H new ATOM 0 HB2 ARG A 828 4.819 8.026 12.499 1.00 0.00 H new ATOM 0 HB3 ARG A 828 5.916 7.643 11.188 1.00 0.00 H new ATOM 0 HG2 ARG A 828 4.077 9.006 9.767 1.00 0.00 H new ATOM 0 HG3 ARG A 828 3.780 9.737 11.332 1.00 0.00 H new ATOM 0 HD2 ARG A 828 6.122 10.400 11.537 1.00 0.00 H new ATOM 0 HD3 ARG A 828 6.548 9.514 10.087 1.00 0.00 H new ATOM 0 HE ARG A 828 4.497 11.596 9.702 1.00 0.00 H new ATOM 0 HH11 ARG A 828 7.922 10.743 9.667 1.00 0.00 H new ATOM 0 HH12 ARG A 828 8.365 12.083 8.605 1.00 0.00 H new ATOM 0 HH21 ARG A 828 5.073 13.317 8.339 1.00 0.00 H new ATOM 0 HH22 ARG A 828 6.758 13.535 7.856 1.00 0.00 H new ATOM 410 N GLN A 829 5.382 5.123 12.163 1.00 0.00 N ATOM 411 CA GLN A 829 6.175 3.907 12.306 1.00 0.00 C ATOM 412 C GLN A 829 5.455 2.712 11.688 1.00 0.00 C ATOM 413 O GLN A 829 6.089 1.797 11.163 1.00 0.00 O ATOM 414 CB GLN A 829 6.467 3.635 13.782 1.00 0.00 C ATOM 415 CG GLN A 829 5.230 3.280 14.592 1.00 0.00 C ATOM 416 CD GLN A 829 5.549 2.415 15.795 1.00 0.00 C ATOM 417 OE1 GLN A 829 6.384 1.513 15.722 1.00 0.00 O ATOM 418 NE2 GLN A 829 4.883 2.685 16.912 1.00 0.00 N ATOM 0 H GLN A 829 5.339 5.700 13.003 1.00 0.00 H new ATOM 0 HA GLN A 829 7.117 4.053 11.778 1.00 0.00 H new ATOM 0 HB2 GLN A 829 7.187 2.820 13.857 1.00 0.00 H new ATOM 0 HB3 GLN A 829 6.937 4.516 14.219 1.00 0.00 H new ATOM 0 HG2 GLN A 829 4.744 4.197 14.927 1.00 0.00 H new ATOM 0 HG3 GLN A 829 4.519 2.758 13.952 1.00 0.00 H new ATOM 0 HE21 GLN A 829 4.200 3.442 16.928 1.00 0.00 H new ATOM 0 HE22 GLN A 829 5.055 2.135 17.754 1.00 0.00 H new ATOM 427 N TYR A 830 4.129 2.728 11.755 1.00 0.00 N ATOM 428 CA TYR A 830 3.323 1.644 11.205 1.00 0.00 C ATOM 429 C TYR A 830 3.219 1.758 9.687 1.00 0.00 C ATOM 430 O TYR A 830 3.267 0.756 8.974 1.00 0.00 O ATOM 431 CB TYR A 830 1.925 1.654 11.825 1.00 0.00 C ATOM 432 CG TYR A 830 1.866 1.020 13.196 1.00 0.00 C ATOM 433 CD1 TYR A 830 2.241 -0.305 13.387 1.00 0.00 C ATOM 434 CD2 TYR A 830 1.435 1.744 14.301 1.00 0.00 C ATOM 435 CE1 TYR A 830 2.188 -0.889 14.638 1.00 0.00 C ATOM 436 CE2 TYR A 830 1.381 1.168 15.556 1.00 0.00 C ATOM 437 CZ TYR A 830 1.758 -0.148 15.719 1.00 0.00 C ATOM 438 OH TYR A 830 1.703 -0.726 16.967 1.00 0.00 O ATOM 0 H TYR A 830 3.589 3.479 12.185 1.00 0.00 H new ATOM 0 HA TYR A 830 3.814 0.702 11.448 1.00 0.00 H new ATOM 0 HB2 TYR A 830 1.575 2.684 11.895 1.00 0.00 H new ATOM 0 HB3 TYR A 830 1.239 1.129 11.161 1.00 0.00 H new ATOM 0 HD1 TYR A 830 2.580 -0.888 12.543 1.00 0.00 H new ATOM 0 HD2 TYR A 830 1.137 2.775 14.177 1.00 0.00 H new ATOM 0 HE1 TYR A 830 2.482 -1.920 14.769 1.00 0.00 H new ATOM 0 HE2 TYR A 830 1.045 1.746 16.405 1.00 0.00 H new ATOM 0 HH TYR A 830 1.380 -0.069 17.618 1.00 0.00 H new ATOM 448 N GLN A 831 3.078 2.987 9.201 1.00 0.00 N ATOM 449 CA GLN A 831 2.967 3.234 7.769 1.00 0.00 C ATOM 450 C GLN A 831 4.191 2.702 7.029 1.00 0.00 C ATOM 451 O GLN A 831 4.064 1.986 6.035 1.00 0.00 O ATOM 452 CB GLN A 831 2.804 4.730 7.498 1.00 0.00 C ATOM 453 CG GLN A 831 1.407 5.253 7.792 1.00 0.00 C ATOM 454 CD GLN A 831 0.334 4.526 7.006 1.00 0.00 C ATOM 455 OE1 GLN A 831 0.254 4.649 5.783 1.00 0.00 O ATOM 456 NE2 GLN A 831 -0.497 3.762 7.704 1.00 0.00 N ATOM 0 H GLN A 831 3.038 3.827 9.778 1.00 0.00 H new ATOM 0 HA GLN A 831 2.085 2.708 7.403 1.00 0.00 H new ATOM 0 HB2 GLN A 831 3.524 5.281 8.103 1.00 0.00 H new ATOM 0 HB3 GLN A 831 3.046 4.930 6.454 1.00 0.00 H new ATOM 0 HG2 GLN A 831 1.202 5.152 8.858 1.00 0.00 H new ATOM 0 HG3 GLN A 831 1.365 6.317 7.559 1.00 0.00 H new ATOM 0 HE21 GLN A 831 -0.394 3.689 8.716 1.00 0.00 H new ATOM 0 HE22 GLN A 831 -1.238 3.248 7.228 1.00 0.00 H new ATOM 465 N ILE A 832 5.373 3.057 7.519 1.00 0.00 N ATOM 466 CA ILE A 832 6.619 2.615 6.905 1.00 0.00 C ATOM 467 C ILE A 832 6.822 1.115 7.093 1.00 0.00 C ATOM 468 O ILE A 832 7.046 0.383 6.129 1.00 0.00 O ATOM 469 CB ILE A 832 7.831 3.363 7.488 1.00 0.00 C ATOM 470 CG1 ILE A 832 7.709 4.865 7.219 1.00 0.00 C ATOM 471 CG2 ILE A 832 9.124 2.818 6.900 1.00 0.00 C ATOM 472 CD1 ILE A 832 6.787 5.578 8.182 1.00 0.00 C ATOM 0 H ILE A 832 5.495 3.650 8.340 1.00 0.00 H new ATOM 0 HA ILE A 832 6.543 2.839 5.841 1.00 0.00 H new ATOM 0 HB ILE A 832 7.851 3.206 8.566 1.00 0.00 H new ATOM 0 HG12 ILE A 832 8.699 5.317 7.274 1.00 0.00 H new ATOM 0 HG13 ILE A 832 7.346 5.016 6.202 1.00 0.00 H new ATOM 0 HG21 ILE A 832 9.972 3.358 7.322 1.00 0.00 H new ATOM 0 HG22 ILE A 832 9.213 1.758 7.138 1.00 0.00 H new ATOM 0 HG23 ILE A 832 9.115 2.947 5.818 1.00 0.00 H new ATOM 0 HD11 ILE A 832 6.749 6.638 7.932 1.00 0.00 H new ATOM 0 HD12 ILE A 832 5.786 5.152 8.111 1.00 0.00 H new ATOM 0 HD13 ILE A 832 7.160 5.459 9.199 1.00 0.00 H new ATOM 484 N ASP A 833 6.742 0.665 8.340 1.00 0.00 N ATOM 485 CA ASP A 833 6.915 -0.748 8.656 1.00 0.00 C ATOM 486 C ASP A 833 5.941 -1.607 7.854 1.00 0.00 C ATOM 487 O ASP A 833 6.299 -2.680 7.370 1.00 0.00 O ATOM 488 CB ASP A 833 6.711 -0.987 10.153 1.00 0.00 C ATOM 489 CG ASP A 833 6.850 -2.449 10.530 1.00 0.00 C ATOM 490 OD1 ASP A 833 6.319 -3.305 9.792 1.00 0.00 O ATOM 491 OD2 ASP A 833 7.489 -2.737 11.563 1.00 0.00 O ATOM 0 H ASP A 833 6.558 1.258 9.149 1.00 0.00 H new ATOM 0 HA ASP A 833 7.932 -1.034 8.386 1.00 0.00 H new ATOM 0 HB2 ASP A 833 7.438 -0.399 10.714 1.00 0.00 H new ATOM 0 HB3 ASP A 833 5.722 -0.632 10.443 1.00 0.00 H new ATOM 496 N ALA A 834 4.709 -1.127 7.719 1.00 0.00 N ATOM 497 CA ALA A 834 3.685 -1.849 6.976 1.00 0.00 C ATOM 498 C ALA A 834 4.067 -1.988 5.507 1.00 0.00 C ATOM 499 O ALA A 834 3.978 -3.072 4.932 1.00 0.00 O ATOM 500 CB ALA A 834 2.341 -1.147 7.110 1.00 0.00 C ATOM 0 H ALA A 834 4.396 -0.241 8.115 1.00 0.00 H new ATOM 0 HA ALA A 834 3.603 -2.850 7.399 1.00 0.00 H new ATOM 0 HB1 ALA A 834 1.585 -1.698 6.550 1.00 0.00 H new ATOM 0 HB2 ALA A 834 2.055 -1.106 8.161 1.00 0.00 H new ATOM 0 HB3 ALA A 834 2.419 -0.134 6.715 1.00 0.00 H new ATOM 506 N ALA A 835 4.493 -0.882 4.904 1.00 0.00 N ATOM 507 CA ALA A 835 4.890 -0.881 3.502 1.00 0.00 C ATOM 508 C ALA A 835 5.992 -1.902 3.243 1.00 0.00 C ATOM 509 O ALA A 835 5.996 -2.577 2.212 1.00 0.00 O ATOM 510 CB ALA A 835 5.347 0.509 3.084 1.00 0.00 C ATOM 0 H ALA A 835 4.572 0.024 5.365 1.00 0.00 H new ATOM 0 HA ALA A 835 4.023 -1.162 2.904 1.00 0.00 H new ATOM 0 HB1 ALA A 835 5.641 0.495 2.034 1.00 0.00 H new ATOM 0 HB2 ALA A 835 4.530 1.218 3.223 1.00 0.00 H new ATOM 0 HB3 ALA A 835 6.198 0.811 3.695 1.00 0.00 H new ATOM 516 N ILE A 836 6.925 -2.011 4.182 1.00 0.00 N ATOM 517 CA ILE A 836 8.032 -2.951 4.055 1.00 0.00 C ATOM 518 C ILE A 836 7.533 -4.392 4.065 1.00 0.00 C ATOM 519 O ILE A 836 7.614 -5.096 3.059 1.00 0.00 O ATOM 520 CB ILE A 836 9.060 -2.767 5.187 1.00 0.00 C ATOM 521 CG1 ILE A 836 9.628 -1.347 5.163 1.00 0.00 C ATOM 522 CG2 ILE A 836 10.177 -3.792 5.059 1.00 0.00 C ATOM 523 CD1 ILE A 836 10.382 -0.977 6.421 1.00 0.00 C ATOM 0 H ILE A 836 6.937 -1.460 5.040 1.00 0.00 H new ATOM 0 HA ILE A 836 8.515 -2.743 3.100 1.00 0.00 H new ATOM 0 HB ILE A 836 8.559 -2.922 6.142 1.00 0.00 H new ATOM 0 HG12 ILE A 836 10.294 -1.245 4.306 1.00 0.00 H new ATOM 0 HG13 ILE A 836 8.811 -0.640 5.017 1.00 0.00 H new ATOM 0 HG21 ILE A 836 10.896 -3.649 5.866 1.00 0.00 H new ATOM 0 HG22 ILE A 836 9.758 -4.796 5.120 1.00 0.00 H new ATOM 0 HG23 ILE A 836 10.679 -3.666 4.100 1.00 0.00 H new ATOM 0 HD11 ILE A 836 10.757 0.043 6.334 1.00 0.00 H new ATOM 0 HD12 ILE A 836 9.714 -1.046 7.279 1.00 0.00 H new ATOM 0 HD13 ILE A 836 11.220 -1.661 6.557 1.00 0.00 H new ATOM 535 N VAL A 837 7.014 -4.825 5.210 1.00 0.00 N ATOM 536 CA VAL A 837 6.499 -6.181 5.352 1.00 0.00 C ATOM 537 C VAL A 837 5.732 -6.610 4.106 1.00 0.00 C ATOM 538 O VAL A 837 5.912 -7.721 3.606 1.00 0.00 O ATOM 539 CB VAL A 837 5.576 -6.305 6.578 1.00 0.00 C ATOM 540 CG1 VAL A 837 4.990 -7.707 6.666 1.00 0.00 C ATOM 541 CG2 VAL A 837 6.331 -5.954 7.851 1.00 0.00 C ATOM 0 H VAL A 837 6.939 -4.255 6.053 1.00 0.00 H new ATOM 0 HA VAL A 837 7.361 -6.835 5.488 1.00 0.00 H new ATOM 0 HB VAL A 837 4.753 -5.599 6.464 1.00 0.00 H new ATOM 0 HG11 VAL A 837 4.340 -7.776 7.539 1.00 0.00 H new ATOM 0 HG12 VAL A 837 4.412 -7.917 5.766 1.00 0.00 H new ATOM 0 HG13 VAL A 837 5.797 -8.434 6.757 1.00 0.00 H new ATOM 0 HG21 VAL A 837 5.663 -6.047 8.707 1.00 0.00 H new ATOM 0 HG22 VAL A 837 7.174 -6.634 7.973 1.00 0.00 H new ATOM 0 HG23 VAL A 837 6.697 -4.929 7.786 1.00 0.00 H new ATOM 551 N ARG A 838 4.876 -5.723 3.610 1.00 0.00 N ATOM 552 CA ARG A 838 4.081 -6.010 2.422 1.00 0.00 C ATOM 553 C ARG A 838 4.978 -6.262 1.215 1.00 0.00 C ATOM 554 O ARG A 838 4.785 -7.229 0.476 1.00 0.00 O ATOM 555 CB ARG A 838 3.127 -4.850 2.129 1.00 0.00 C ATOM 556 CG ARG A 838 2.017 -4.700 3.156 1.00 0.00 C ATOM 557 CD ARG A 838 1.016 -3.633 2.742 1.00 0.00 C ATOM 558 NE ARG A 838 -0.231 -3.730 3.497 1.00 0.00 N ATOM 559 CZ ARG A 838 -1.223 -4.551 3.174 1.00 0.00 C ATOM 560 NH1 ARG A 838 -1.116 -5.343 2.116 1.00 0.00 N ATOM 561 NH2 ARG A 838 -2.327 -4.582 3.910 1.00 0.00 N ATOM 0 H ARG A 838 4.715 -4.800 4.012 1.00 0.00 H new ATOM 0 HA ARG A 838 3.499 -6.911 2.614 1.00 0.00 H new ATOM 0 HB2 ARG A 838 3.698 -3.923 2.086 1.00 0.00 H new ATOM 0 HB3 ARG A 838 2.682 -4.996 1.145 1.00 0.00 H new ATOM 0 HG2 ARG A 838 1.504 -5.653 3.280 1.00 0.00 H new ATOM 0 HG3 ARG A 838 2.447 -4.441 4.123 1.00 0.00 H new ATOM 0 HD2 ARG A 838 1.455 -2.647 2.892 1.00 0.00 H new ATOM 0 HD3 ARG A 838 0.804 -3.729 1.677 1.00 0.00 H new ATOM 0 HE ARG A 838 -0.346 -3.134 4.317 1.00 0.00 H new ATOM 0 HH11 ARG A 838 -0.269 -5.323 1.547 1.00 0.00 H new ATOM 0 HH12 ARG A 838 -1.880 -5.973 1.871 1.00 0.00 H new ATOM 0 HH21 ARG A 838 -2.414 -3.975 4.725 1.00 0.00 H new ATOM 0 HH22 ARG A 838 -3.089 -5.213 3.661 1.00 0.00 H new ATOM 575 N ILE A 839 5.959 -5.387 1.020 1.00 0.00 N ATOM 576 CA ILE A 839 6.886 -5.516 -0.098 1.00 0.00 C ATOM 577 C ILE A 839 7.715 -6.791 0.020 1.00 0.00 C ATOM 578 O ILE A 839 7.794 -7.580 -0.921 1.00 0.00 O ATOM 579 CB ILE A 839 7.835 -4.306 -0.184 1.00 0.00 C ATOM 580 CG1 ILE A 839 7.036 -3.017 -0.386 1.00 0.00 C ATOM 581 CG2 ILE A 839 8.836 -4.498 -1.314 1.00 0.00 C ATOM 582 CD1 ILE A 839 7.700 -1.795 0.208 1.00 0.00 C ATOM 0 H ILE A 839 6.132 -4.582 1.621 1.00 0.00 H new ATOM 0 HA ILE A 839 6.283 -5.560 -1.005 1.00 0.00 H new ATOM 0 HB ILE A 839 8.385 -4.227 0.754 1.00 0.00 H new ATOM 0 HG12 ILE A 839 6.886 -2.856 -1.453 1.00 0.00 H new ATOM 0 HG13 ILE A 839 6.049 -3.137 0.060 1.00 0.00 H new ATOM 0 HG21 ILE A 839 9.500 -3.635 -1.362 1.00 0.00 H new ATOM 0 HG22 ILE A 839 9.423 -5.398 -1.131 1.00 0.00 H new ATOM 0 HG23 ILE A 839 8.303 -4.599 -2.259 1.00 0.00 H new ATOM 0 HD11 ILE A 839 7.078 -0.919 0.027 1.00 0.00 H new ATOM 0 HD12 ILE A 839 7.826 -1.935 1.282 1.00 0.00 H new ATOM 0 HD13 ILE A 839 8.676 -1.649 -0.256 1.00 0.00 H new ATOM 594 N MET A 840 8.330 -6.985 1.182 1.00 0.00 N ATOM 595 CA MET A 840 9.150 -8.166 1.423 1.00 0.00 C ATOM 596 C MET A 840 8.358 -9.442 1.160 1.00 0.00 C ATOM 597 O MET A 840 8.817 -10.334 0.446 1.00 0.00 O ATOM 598 CB MET A 840 9.673 -8.165 2.861 1.00 0.00 C ATOM 599 CG MET A 840 10.375 -6.874 3.251 1.00 0.00 C ATOM 600 SD MET A 840 11.921 -6.626 2.357 1.00 0.00 S ATOM 601 CE MET A 840 13.041 -6.273 3.709 1.00 0.00 C ATOM 0 H MET A 840 8.276 -6.340 1.971 1.00 0.00 H new ATOM 0 HA MET A 840 9.995 -8.136 0.736 1.00 0.00 H new ATOM 0 HB2 MET A 840 8.840 -8.336 3.542 1.00 0.00 H new ATOM 0 HB3 MET A 840 10.365 -8.998 2.988 1.00 0.00 H new ATOM 0 HG2 MET A 840 9.710 -6.032 3.060 1.00 0.00 H new ATOM 0 HG3 MET A 840 10.577 -6.884 4.322 1.00 0.00 H new ATOM 0 HE1 MET A 840 13.991 -6.779 3.536 1.00 0.00 H new ATOM 0 HE2 MET A 840 13.209 -5.198 3.771 1.00 0.00 H new ATOM 0 HE3 MET A 840 12.606 -6.627 4.644 1.00 0.00 H new ATOM 611 N LYS A 841 7.165 -9.524 1.740 1.00 0.00 N ATOM 612 CA LYS A 841 6.308 -10.690 1.568 1.00 0.00 C ATOM 613 C LYS A 841 6.167 -11.048 0.092 1.00 0.00 C ATOM 614 O LYS A 841 6.587 -12.122 -0.338 1.00 0.00 O ATOM 615 CB LYS A 841 4.927 -10.427 2.174 1.00 0.00 C ATOM 616 CG LYS A 841 3.912 -11.515 1.867 1.00 0.00 C ATOM 617 CD LYS A 841 2.653 -11.354 2.704 1.00 0.00 C ATOM 618 CE LYS A 841 1.639 -10.453 2.017 1.00 0.00 C ATOM 619 NZ LYS A 841 0.557 -10.026 2.947 1.00 0.00 N ATOM 0 H LYS A 841 6.770 -8.795 2.334 1.00 0.00 H new ATOM 0 HA LYS A 841 6.771 -11.530 2.085 1.00 0.00 H new ATOM 0 HB2 LYS A 841 5.026 -10.329 3.255 1.00 0.00 H new ATOM 0 HB3 LYS A 841 4.551 -9.475 1.801 1.00 0.00 H new ATOM 0 HG2 LYS A 841 3.653 -11.484 0.809 1.00 0.00 H new ATOM 0 HG3 LYS A 841 4.355 -12.492 2.059 1.00 0.00 H new ATOM 0 HD2 LYS A 841 2.208 -12.332 2.886 1.00 0.00 H new ATOM 0 HD3 LYS A 841 2.912 -10.936 3.677 1.00 0.00 H new ATOM 0 HE2 LYS A 841 2.145 -9.573 1.620 1.00 0.00 H new ATOM 0 HE3 LYS A 841 1.202 -10.979 1.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 -0.114 -9.413 2.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 0.057 -10.864 3.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 0.971 -9.502 3.744 1.00 0.00 H new ATOM 633 N MET A 842 5.575 -10.142 -0.679 1.00 0.00 N ATOM 634 CA MET A 842 5.382 -10.362 -2.107 1.00 0.00 C ATOM 635 C MET A 842 6.709 -10.671 -2.794 1.00 0.00 C ATOM 636 O MET A 842 6.780 -11.538 -3.666 1.00 0.00 O ATOM 637 CB MET A 842 4.734 -9.135 -2.752 1.00 0.00 C ATOM 638 CG MET A 842 3.294 -8.910 -2.319 1.00 0.00 C ATOM 639 SD MET A 842 2.776 -7.193 -2.498 1.00 0.00 S ATOM 640 CE MET A 842 1.065 -7.404 -2.983 1.00 0.00 C ATOM 0 H MET A 842 5.221 -9.248 -0.338 1.00 0.00 H new ATOM 0 HA MET A 842 4.721 -11.220 -2.230 1.00 0.00 H new ATOM 0 HB2 MET A 842 5.322 -8.251 -2.504 1.00 0.00 H new ATOM 0 HB3 MET A 842 4.766 -9.245 -3.836 1.00 0.00 H new ATOM 0 HG2 MET A 842 2.637 -9.547 -2.911 1.00 0.00 H new ATOM 0 HG3 MET A 842 3.180 -9.213 -1.278 1.00 0.00 H new ATOM 0 HE1 MET A 842 0.606 -6.427 -3.132 1.00 0.00 H new ATOM 0 HE2 MET A 842 1.018 -7.972 -3.912 1.00 0.00 H new ATOM 0 HE3 MET A 842 0.529 -7.941 -2.201 1.00 0.00 H new ATOM 650 N ARG A 843 7.756 -9.957 -2.395 1.00 0.00 N ATOM 651 CA ARG A 843 9.080 -10.155 -2.973 1.00 0.00 C ATOM 652 C ARG A 843 9.979 -10.936 -2.020 1.00 0.00 C ATOM 653 O ARG A 843 10.736 -10.352 -1.244 1.00 0.00 O ATOM 654 CB ARG A 843 9.721 -8.806 -3.306 1.00 0.00 C ATOM 655 CG ARG A 843 8.855 -7.921 -4.187 1.00 0.00 C ATOM 656 CD ARG A 843 8.947 -8.330 -5.649 1.00 0.00 C ATOM 657 NE ARG A 843 7.937 -7.665 -6.468 1.00 0.00 N ATOM 658 CZ ARG A 843 6.682 -8.087 -6.573 1.00 0.00 C ATOM 659 NH1 ARG A 843 6.284 -9.166 -5.913 1.00 0.00 N ATOM 660 NH2 ARG A 843 5.821 -7.428 -7.338 1.00 0.00 N ATOM 0 H ARG A 843 7.714 -9.237 -1.674 1.00 0.00 H new ATOM 0 HA ARG A 843 8.965 -10.732 -3.891 1.00 0.00 H new ATOM 0 HB2 ARG A 843 9.939 -8.278 -2.378 1.00 0.00 H new ATOM 0 HB3 ARG A 843 10.674 -8.980 -3.805 1.00 0.00 H new ATOM 0 HG2 ARG A 843 7.818 -7.980 -3.856 1.00 0.00 H new ATOM 0 HG3 ARG A 843 9.166 -6.882 -4.078 1.00 0.00 H new ATOM 0 HD2 ARG A 843 9.939 -8.090 -6.031 1.00 0.00 H new ATOM 0 HD3 ARG A 843 8.827 -9.410 -5.731 1.00 0.00 H new ATOM 0 HE ARG A 843 8.210 -6.831 -6.988 1.00 0.00 H new ATOM 0 HH11 ARG A 843 6.942 -9.674 -5.323 1.00 0.00 H new ATOM 0 HH12 ARG A 843 5.320 -9.488 -5.996 1.00 0.00 H new ATOM 0 HH21 ARG A 843 6.123 -6.597 -7.846 1.00 0.00 H new ATOM 0 HH22 ARG A 843 4.857 -7.753 -7.418 1.00 0.00 H new ATOM 674 N LYS A 844 9.890 -12.260 -2.083 1.00 0.00 N ATOM 675 CA LYS A 844 10.694 -13.123 -1.226 1.00 0.00 C ATOM 676 C LYS A 844 12.066 -12.508 -0.969 1.00 0.00 C ATOM 677 O LYS A 844 12.388 -12.132 0.159 1.00 0.00 O ATOM 678 CB LYS A 844 10.855 -14.504 -1.866 1.00 0.00 C ATOM 679 CG LYS A 844 9.766 -15.487 -1.473 1.00 0.00 C ATOM 680 CD LYS A 844 8.572 -15.400 -2.409 1.00 0.00 C ATOM 681 CE LYS A 844 8.847 -16.101 -3.730 1.00 0.00 C ATOM 682 NZ LYS A 844 8.583 -17.564 -3.647 1.00 0.00 N ATOM 0 H LYS A 844 9.268 -12.759 -2.719 1.00 0.00 H new ATOM 0 HA LYS A 844 10.178 -13.229 -0.272 1.00 0.00 H new ATOM 0 HB2 LYS A 844 10.860 -14.394 -2.950 1.00 0.00 H new ATOM 0 HB3 LYS A 844 11.824 -14.916 -1.583 1.00 0.00 H new ATOM 0 HG2 LYS A 844 10.167 -16.500 -1.487 1.00 0.00 H new ATOM 0 HG3 LYS A 844 9.444 -15.285 -0.451 1.00 0.00 H new ATOM 0 HD2 LYS A 844 7.701 -15.849 -1.932 1.00 0.00 H new ATOM 0 HD3 LYS A 844 8.329 -14.354 -2.595 1.00 0.00 H new ATOM 0 HE2 LYS A 844 8.224 -15.663 -4.510 1.00 0.00 H new ATOM 0 HE3 LYS A 844 9.885 -15.935 -4.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 844 8.782 -18.005 -4.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 844 9.195 -17.987 -2.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 844 7.587 -17.723 -3.395 1.00 0.00 H new ATOM 696 N THR A 845 12.872 -12.407 -2.022 1.00 0.00 N ATOM 697 CA THR A 845 14.208 -11.837 -1.910 1.00 0.00 C ATOM 698 C THR A 845 14.282 -10.472 -2.586 1.00 0.00 C ATOM 699 O THR A 845 13.924 -10.327 -3.756 1.00 0.00 O ATOM 700 CB THR A 845 15.268 -12.764 -2.533 1.00 0.00 C ATOM 701 OG1 THR A 845 15.284 -14.021 -1.846 1.00 0.00 O ATOM 702 CG2 THR A 845 16.649 -12.128 -2.468 1.00 0.00 C ATOM 0 H THR A 845 12.622 -12.713 -2.962 1.00 0.00 H new ATOM 0 HA THR A 845 14.415 -11.724 -0.846 1.00 0.00 H new ATOM 0 HB THR A 845 15.008 -12.925 -3.579 1.00 0.00 H new ATOM 0 HG1 THR A 845 16.024 -14.033 -1.204 1.00 0.00 H new ATOM 0 HG21 THR A 845 17.381 -12.801 -2.914 1.00 0.00 H new ATOM 0 HG22 THR A 845 16.642 -11.186 -3.016 1.00 0.00 H new ATOM 0 HG23 THR A 845 16.915 -11.941 -1.428 1.00 0.00 H new ATOM 710 N LEU A 846 14.750 -9.475 -1.844 1.00 0.00 N ATOM 711 CA LEU A 846 14.873 -8.120 -2.373 1.00 0.00 C ATOM 712 C LEU A 846 16.085 -7.411 -1.778 1.00 0.00 C ATOM 713 O LEU A 846 16.521 -7.729 -0.672 1.00 0.00 O ATOM 714 CB LEU A 846 13.603 -7.320 -2.078 1.00 0.00 C ATOM 715 CG LEU A 846 13.270 -6.202 -3.066 1.00 0.00 C ATOM 716 CD1 LEU A 846 12.830 -6.783 -4.401 1.00 0.00 C ATOM 717 CD2 LEU A 846 12.191 -5.291 -2.498 1.00 0.00 C ATOM 0 H LEU A 846 15.051 -9.578 -0.875 1.00 0.00 H new ATOM 0 HA LEU A 846 15.010 -8.188 -3.452 1.00 0.00 H new ATOM 0 HB2 LEU A 846 12.761 -8.012 -2.046 1.00 0.00 H new ATOM 0 HB3 LEU A 846 13.695 -6.883 -1.084 1.00 0.00 H new ATOM 0 HG LEU A 846 14.170 -5.609 -3.229 1.00 0.00 H new ATOM 0 HD11 LEU A 846 12.597 -5.972 -5.092 1.00 0.00 H new ATOM 0 HD12 LEU A 846 13.633 -7.393 -4.815 1.00 0.00 H new ATOM 0 HD13 LEU A 846 11.944 -7.401 -4.255 1.00 0.00 H new ATOM 0 HD21 LEU A 846 11.967 -4.501 -3.215 1.00 0.00 H new ATOM 0 HD22 LEU A 846 11.289 -5.872 -2.305 1.00 0.00 H new ATOM 0 HD23 LEU A 846 12.543 -4.847 -1.567 1.00 0.00 H new ATOM 729 N SER A 847 16.622 -6.446 -2.518 1.00 0.00 N ATOM 730 CA SER A 847 17.784 -5.692 -2.064 1.00 0.00 C ATOM 731 C SER A 847 17.369 -4.328 -1.522 1.00 0.00 C ATOM 732 O SER A 847 16.400 -3.729 -1.991 1.00 0.00 O ATOM 733 CB SER A 847 18.783 -5.516 -3.209 1.00 0.00 C ATOM 734 OG SER A 847 19.340 -6.760 -3.596 1.00 0.00 O ATOM 0 H SER A 847 16.271 -6.168 -3.434 1.00 0.00 H new ATOM 0 HA SER A 847 18.259 -6.254 -1.260 1.00 0.00 H new ATOM 0 HB2 SER A 847 18.285 -5.056 -4.062 1.00 0.00 H new ATOM 0 HB3 SER A 847 19.579 -4.838 -2.900 1.00 0.00 H new ATOM 0 HG SER A 847 19.974 -6.620 -4.330 1.00 0.00 H new ATOM 740 N HIS A 848 18.109 -3.842 -0.530 1.00 0.00 N ATOM 741 CA HIS A 848 17.819 -2.547 0.077 1.00 0.00 C ATOM 742 C HIS A 848 17.376 -1.539 -0.979 1.00 0.00 C ATOM 743 O HIS A 848 16.400 -0.816 -0.790 1.00 0.00 O ATOM 744 CB HIS A 848 19.049 -2.021 0.817 1.00 0.00 C ATOM 745 CG HIS A 848 18.811 -0.723 1.526 1.00 0.00 C ATOM 746 ND1 HIS A 848 19.029 -0.552 2.877 1.00 0.00 N ATOM 747 CD2 HIS A 848 18.372 0.471 1.063 1.00 0.00 C ATOM 748 CE1 HIS A 848 18.733 0.690 3.215 1.00 0.00 C ATOM 749 NE2 HIS A 848 18.333 1.332 2.132 1.00 0.00 N ATOM 0 H HIS A 848 18.913 -4.325 -0.130 1.00 0.00 H new ATOM 0 HA HIS A 848 17.005 -2.681 0.790 1.00 0.00 H new ATOM 0 HB2 HIS A 848 19.374 -2.767 1.542 1.00 0.00 H new ATOM 0 HB3 HIS A 848 19.864 -1.893 0.105 1.00 0.00 H new ATOM 0 HD1 HIS A 848 19.366 -1.272 3.516 1.00 0.00 H new ATOM 0 HD2 HIS A 848 18.103 0.703 0.043 1.00 0.00 H new ATOM 0 HE1 HIS A 848 18.806 1.109 4.208 1.00 0.00 H new ATOM 757 N ASN A 849 18.102 -1.497 -2.092 1.00 0.00 N ATOM 758 CA ASN A 849 17.785 -0.577 -3.178 1.00 0.00 C ATOM 759 C ASN A 849 16.288 -0.579 -3.473 1.00 0.00 C ATOM 760 O ASN A 849 15.603 0.425 -3.276 1.00 0.00 O ATOM 761 CB ASN A 849 18.566 -0.953 -4.438 1.00 0.00 C ATOM 762 CG ASN A 849 18.661 0.195 -5.424 1.00 0.00 C ATOM 763 OD1 ASN A 849 18.749 1.359 -5.032 1.00 0.00 O ATOM 764 ND2 ASN A 849 18.643 -0.128 -6.712 1.00 0.00 N ATOM 0 H ASN A 849 18.914 -2.090 -2.265 1.00 0.00 H new ATOM 0 HA ASN A 849 18.074 0.427 -2.867 1.00 0.00 H new ATOM 0 HB2 ASN A 849 19.570 -1.272 -4.158 1.00 0.00 H new ATOM 0 HB3 ASN A 849 18.084 -1.804 -4.920 1.00 0.00 H new ATOM 0 HD21 ASN A 849 18.703 0.602 -7.422 1.00 0.00 H new ATOM 0 HD22 ASN A 849 18.569 -1.106 -6.991 1.00 0.00 H new ATOM 771 N LEU A 850 15.786 -1.715 -3.946 1.00 0.00 N ATOM 772 CA LEU A 850 14.370 -1.850 -4.269 1.00 0.00 C ATOM 773 C LEU A 850 13.508 -1.666 -3.024 1.00 0.00 C ATOM 774 O LEU A 850 12.506 -0.951 -3.049 1.00 0.00 O ATOM 775 CB LEU A 850 14.097 -3.219 -4.895 1.00 0.00 C ATOM 776 CG LEU A 850 14.204 -3.293 -6.418 1.00 0.00 C ATOM 777 CD1 LEU A 850 15.587 -2.860 -6.879 1.00 0.00 C ATOM 778 CD2 LEU A 850 13.893 -4.701 -6.906 1.00 0.00 C ATOM 0 H LEU A 850 16.339 -2.556 -4.114 1.00 0.00 H new ATOM 0 HA LEU A 850 14.111 -1.072 -4.987 1.00 0.00 H new ATOM 0 HB2 LEU A 850 14.795 -3.938 -4.466 1.00 0.00 H new ATOM 0 HB3 LEU A 850 13.095 -3.536 -4.605 1.00 0.00 H new ATOM 0 HG LEU A 850 13.471 -2.610 -6.848 1.00 0.00 H new ATOM 0 HD11 LEU A 850 15.643 -2.920 -7.966 1.00 0.00 H new ATOM 0 HD12 LEU A 850 15.771 -1.834 -6.562 1.00 0.00 H new ATOM 0 HD13 LEU A 850 16.339 -3.516 -6.440 1.00 0.00 H new ATOM 0 HD21 LEU A 850 13.974 -4.736 -7.992 1.00 0.00 H new ATOM 0 HD22 LEU A 850 14.602 -5.403 -6.467 1.00 0.00 H new ATOM 0 HD23 LEU A 850 12.880 -4.974 -6.609 1.00 0.00 H new ATOM 790 N LEU A 851 13.906 -2.315 -1.935 1.00 0.00 N ATOM 791 CA LEU A 851 13.171 -2.222 -0.678 1.00 0.00 C ATOM 792 C LEU A 851 12.690 -0.796 -0.433 1.00 0.00 C ATOM 793 O LEU A 851 11.488 -0.537 -0.373 1.00 0.00 O ATOM 794 CB LEU A 851 14.051 -2.683 0.485 1.00 0.00 C ATOM 795 CG LEU A 851 13.521 -2.383 1.888 1.00 0.00 C ATOM 796 CD1 LEU A 851 12.140 -2.989 2.077 1.00 0.00 C ATOM 797 CD2 LEU A 851 14.484 -2.904 2.945 1.00 0.00 C ATOM 0 H LEU A 851 14.733 -2.911 -1.897 1.00 0.00 H new ATOM 0 HA LEU A 851 12.299 -2.873 -0.746 1.00 0.00 H new ATOM 0 HB2 LEU A 851 14.200 -3.759 0.397 1.00 0.00 H new ATOM 0 HB3 LEU A 851 15.030 -2.216 0.381 1.00 0.00 H new ATOM 0 HG LEU A 851 13.439 -1.302 2.002 1.00 0.00 H new ATOM 0 HD11 LEU A 851 11.779 -2.765 3.081 1.00 0.00 H new ATOM 0 HD12 LEU A 851 11.454 -2.567 1.342 1.00 0.00 H new ATOM 0 HD13 LEU A 851 12.195 -4.069 1.944 1.00 0.00 H new ATOM 0 HD21 LEU A 851 14.091 -2.682 3.937 1.00 0.00 H new ATOM 0 HD22 LEU A 851 14.598 -3.982 2.833 1.00 0.00 H new ATOM 0 HD23 LEU A 851 15.454 -2.422 2.823 1.00 0.00 H new ATOM 809 N VAL A 852 13.636 0.127 -0.294 1.00 0.00 N ATOM 810 CA VAL A 852 13.309 1.528 -0.058 1.00 0.00 C ATOM 811 C VAL A 852 12.489 2.102 -1.209 1.00 0.00 C ATOM 812 O VAL A 852 11.516 2.822 -0.992 1.00 0.00 O ATOM 813 CB VAL A 852 14.581 2.378 0.125 1.00 0.00 C ATOM 814 CG1 VAL A 852 15.332 1.952 1.377 1.00 0.00 C ATOM 815 CG2 VAL A 852 15.472 2.275 -1.103 1.00 0.00 C ATOM 0 H VAL A 852 14.636 -0.070 -0.341 1.00 0.00 H new ATOM 0 HA VAL A 852 12.720 1.566 0.859 1.00 0.00 H new ATOM 0 HB VAL A 852 14.286 3.421 0.244 1.00 0.00 H new ATOM 0 HG11 VAL A 852 16.227 2.563 1.490 1.00 0.00 H new ATOM 0 HG12 VAL A 852 14.691 2.084 2.248 1.00 0.00 H new ATOM 0 HG13 VAL A 852 15.617 0.903 1.291 1.00 0.00 H new ATOM 0 HG21 VAL A 852 16.366 2.882 -0.956 1.00 0.00 H new ATOM 0 HG22 VAL A 852 15.761 1.235 -1.257 1.00 0.00 H new ATOM 0 HG23 VAL A 852 14.929 2.634 -1.977 1.00 0.00 H new ATOM 825 N SER A 853 12.890 1.776 -2.434 1.00 0.00 N ATOM 826 CA SER A 853 12.194 2.262 -3.620 1.00 0.00 C ATOM 827 C SER A 853 10.694 2.012 -3.510 1.00 0.00 C ATOM 828 O SER A 853 9.890 2.936 -3.627 1.00 0.00 O ATOM 829 CB SER A 853 12.746 1.582 -4.874 1.00 0.00 C ATOM 830 OG SER A 853 13.829 2.316 -5.418 1.00 0.00 O ATOM 0 H SER A 853 13.692 1.178 -2.631 1.00 0.00 H new ATOM 0 HA SER A 853 12.360 3.337 -3.695 1.00 0.00 H new ATOM 0 HB2 SER A 853 13.074 0.572 -4.629 1.00 0.00 H new ATOM 0 HB3 SER A 853 11.955 1.489 -5.619 1.00 0.00 H new ATOM 0 HG SER A 853 14.165 1.859 -6.217 1.00 0.00 H new ATOM 836 N GLU A 854 10.325 0.755 -3.283 1.00 0.00 N ATOM 837 CA GLU A 854 8.920 0.382 -3.158 1.00 0.00 C ATOM 838 C GLU A 854 8.243 1.179 -2.047 1.00 0.00 C ATOM 839 O GLU A 854 7.224 1.833 -2.268 1.00 0.00 O ATOM 840 CB GLU A 854 8.790 -1.116 -2.878 1.00 0.00 C ATOM 841 CG GLU A 854 8.789 -1.972 -4.134 1.00 0.00 C ATOM 842 CD GLU A 854 7.460 -1.936 -4.863 1.00 0.00 C ATOM 843 OE1 GLU A 854 6.855 -0.846 -4.940 1.00 0.00 O ATOM 844 OE2 GLU A 854 7.025 -2.997 -5.357 1.00 0.00 O ATOM 0 H GLU A 854 10.978 -0.022 -3.182 1.00 0.00 H new ATOM 0 HA GLU A 854 8.424 0.612 -4.101 1.00 0.00 H new ATOM 0 HB2 GLU A 854 9.613 -1.430 -2.235 1.00 0.00 H new ATOM 0 HB3 GLU A 854 7.868 -1.295 -2.326 1.00 0.00 H new ATOM 0 HG2 GLU A 854 9.576 -1.628 -4.804 1.00 0.00 H new ATOM 0 HG3 GLU A 854 9.025 -3.002 -3.867 1.00 0.00 H new ATOM 851 N VAL A 855 8.817 1.119 -0.849 1.00 0.00 N ATOM 852 CA VAL A 855 8.270 1.834 0.298 1.00 0.00 C ATOM 853 C VAL A 855 7.827 3.240 -0.092 1.00 0.00 C ATOM 854 O VAL A 855 6.684 3.630 0.148 1.00 0.00 O ATOM 855 CB VAL A 855 9.298 1.930 1.441 1.00 0.00 C ATOM 856 CG1 VAL A 855 8.795 2.860 2.534 1.00 0.00 C ATOM 857 CG2 VAL A 855 9.601 0.549 2.002 1.00 0.00 C ATOM 0 H VAL A 855 9.661 0.582 -0.648 1.00 0.00 H new ATOM 0 HA VAL A 855 7.406 1.266 0.643 1.00 0.00 H new ATOM 0 HB VAL A 855 10.223 2.345 1.041 1.00 0.00 H new ATOM 0 HG11 VAL A 855 9.534 2.916 3.333 1.00 0.00 H new ATOM 0 HG12 VAL A 855 8.633 3.855 2.119 1.00 0.00 H new ATOM 0 HG13 VAL A 855 7.856 2.477 2.934 1.00 0.00 H new ATOM 0 HG21 VAL A 855 10.329 0.636 2.809 1.00 0.00 H new ATOM 0 HG22 VAL A 855 8.684 0.104 2.387 1.00 0.00 H new ATOM 0 HG23 VAL A 855 10.008 -0.083 1.213 1.00 0.00 H new ATOM 867 N TYR A 856 8.738 3.996 -0.694 1.00 0.00 N ATOM 868 CA TYR A 856 8.442 5.360 -1.116 1.00 0.00 C ATOM 869 C TYR A 856 7.257 5.387 -2.077 1.00 0.00 C ATOM 870 O TYR A 856 6.390 6.256 -1.986 1.00 0.00 O ATOM 871 CB TYR A 856 9.667 5.988 -1.782 1.00 0.00 C ATOM 872 CG TYR A 856 10.876 6.063 -0.876 1.00 0.00 C ATOM 873 CD1 TYR A 856 10.802 6.683 0.364 1.00 0.00 C ATOM 874 CD2 TYR A 856 12.092 5.512 -1.262 1.00 0.00 C ATOM 875 CE1 TYR A 856 11.904 6.755 1.194 1.00 0.00 C ATOM 876 CE2 TYR A 856 13.199 5.578 -0.438 1.00 0.00 C ATOM 877 CZ TYR A 856 13.100 6.200 0.789 1.00 0.00 C ATOM 878 OH TYR A 856 14.200 6.268 1.613 1.00 0.00 O ATOM 0 H TYR A 856 9.688 3.687 -0.901 1.00 0.00 H new ATOM 0 HA TYR A 856 8.182 5.939 -0.230 1.00 0.00 H new ATOM 0 HB2 TYR A 856 9.924 5.410 -2.670 1.00 0.00 H new ATOM 0 HB3 TYR A 856 9.412 6.993 -2.118 1.00 0.00 H new ATOM 0 HD1 TYR A 856 9.867 7.117 0.685 1.00 0.00 H new ATOM 0 HD2 TYR A 856 12.173 5.024 -2.222 1.00 0.00 H new ATOM 0 HE1 TYR A 856 11.829 7.243 2.155 1.00 0.00 H new ATOM 0 HE2 TYR A 856 14.137 5.145 -0.753 1.00 0.00 H new ATOM 0 HH TYR A 856 14.961 5.829 1.179 1.00 0.00 H new ATOM 888 N ASN A 857 7.227 4.429 -2.997 1.00 0.00 N ATOM 889 CA ASN A 857 6.150 4.342 -3.976 1.00 0.00 C ATOM 890 C ASN A 857 4.808 4.103 -3.289 1.00 0.00 C ATOM 891 O ASN A 857 3.764 4.532 -3.779 1.00 0.00 O ATOM 892 CB ASN A 857 6.430 3.219 -4.976 1.00 0.00 C ATOM 893 CG ASN A 857 5.380 3.141 -6.067 1.00 0.00 C ATOM 894 OD1 ASN A 857 4.422 3.915 -6.080 1.00 0.00 O ATOM 895 ND2 ASN A 857 5.555 2.202 -6.991 1.00 0.00 N ATOM 0 H ASN A 857 7.937 3.702 -3.085 1.00 0.00 H new ATOM 0 HA ASN A 857 6.101 5.291 -4.510 1.00 0.00 H new ATOM 0 HB2 ASN A 857 7.409 3.375 -5.429 1.00 0.00 H new ATOM 0 HB3 ASN A 857 6.471 2.267 -4.447 1.00 0.00 H new ATOM 0 HD21 ASN A 857 4.881 2.101 -7.750 1.00 0.00 H new ATOM 0 HD22 ASN A 857 6.363 1.582 -6.941 1.00 0.00 H new ATOM 902 N GLN A 858 4.847 3.417 -2.151 1.00 0.00 N ATOM 903 CA GLN A 858 3.634 3.121 -1.397 1.00 0.00 C ATOM 904 C GLN A 858 3.229 4.309 -0.530 1.00 0.00 C ATOM 905 O GLN A 858 2.045 4.620 -0.399 1.00 0.00 O ATOM 906 CB GLN A 858 3.842 1.883 -0.523 1.00 0.00 C ATOM 907 CG GLN A 858 3.918 0.587 -1.312 1.00 0.00 C ATOM 908 CD GLN A 858 3.586 -0.629 -0.470 1.00 0.00 C ATOM 909 OE1 GLN A 858 4.417 -0.904 0.529 1.00 0.00 O flip ATOM 910 NE2 GLN A 858 2.593 -1.315 -0.715 1.00 0.00 N flip ATOM 0 H GLN A 858 5.704 3.056 -1.731 1.00 0.00 H new ATOM 0 HA GLN A 858 2.832 2.924 -2.108 1.00 0.00 H new ATOM 0 HB2 GLN A 858 4.761 2.004 0.051 1.00 0.00 H new ATOM 0 HB3 GLN A 858 3.025 1.814 0.195 1.00 0.00 H new ATOM 0 HG2 GLN A 858 3.230 0.639 -2.156 1.00 0.00 H new ATOM 0 HG3 GLN A 858 4.921 0.476 -1.725 1.00 0.00 H new ATOM 0 HE21 GLN A 858 1.981 -1.067 -1.493 1.00 0.00 H new ATOM 0 HE22 GLN A 858 2.382 -2.131 -0.140 1.00 0.00 H new ATOM 919 N LEU A 859 4.219 4.969 0.060 1.00 0.00 N ATOM 920 CA LEU A 859 3.966 6.123 0.916 1.00 0.00 C ATOM 921 C LEU A 859 3.933 7.410 0.098 1.00 0.00 C ATOM 922 O LEU A 859 4.836 7.678 -0.696 1.00 0.00 O ATOM 923 CB LEU A 859 5.039 6.223 2.001 1.00 0.00 C ATOM 924 CG LEU A 859 5.351 4.931 2.757 1.00 0.00 C ATOM 925 CD1 LEU A 859 6.308 5.204 3.908 1.00 0.00 C ATOM 926 CD2 LEU A 859 4.070 4.289 3.268 1.00 0.00 C ATOM 0 H LEU A 859 5.205 4.725 -0.038 1.00 0.00 H new ATOM 0 HA LEU A 859 2.993 5.988 1.388 1.00 0.00 H new ATOM 0 HB2 LEU A 859 5.960 6.583 1.542 1.00 0.00 H new ATOM 0 HB3 LEU A 859 4.727 6.977 2.724 1.00 0.00 H new ATOM 0 HG LEU A 859 5.832 4.237 2.068 1.00 0.00 H new ATOM 0 HD11 LEU A 859 6.519 4.273 4.435 1.00 0.00 H new ATOM 0 HD12 LEU A 859 7.238 5.619 3.518 1.00 0.00 H new ATOM 0 HD13 LEU A 859 5.854 5.916 4.597 1.00 0.00 H new ATOM 0 HD21 LEU A 859 4.312 3.371 3.803 1.00 0.00 H new ATOM 0 HD22 LEU A 859 3.561 4.979 3.941 1.00 0.00 H new ATOM 0 HD23 LEU A 859 3.418 4.057 2.426 1.00 0.00 H new ATOM 938 N LYS A 860 2.887 8.205 0.298 1.00 0.00 N ATOM 939 CA LYS A 860 2.737 9.467 -0.418 1.00 0.00 C ATOM 940 C LYS A 860 3.749 10.496 0.075 1.00 0.00 C ATOM 941 O LYS A 860 4.148 11.394 -0.667 1.00 0.00 O ATOM 942 CB LYS A 860 1.316 10.009 -0.244 1.00 0.00 C ATOM 943 CG LYS A 860 0.968 11.125 -1.214 1.00 0.00 C ATOM 944 CD LYS A 860 -0.139 12.012 -0.670 1.00 0.00 C ATOM 945 CE LYS A 860 -0.710 12.917 -1.750 1.00 0.00 C ATOM 946 NZ LYS A 860 -2.116 13.312 -1.458 1.00 0.00 N ATOM 0 H LYS A 860 2.130 7.998 0.950 1.00 0.00 H new ATOM 0 HA LYS A 860 2.922 9.280 -1.476 1.00 0.00 H new ATOM 0 HB2 LYS A 860 0.606 9.192 -0.373 1.00 0.00 H new ATOM 0 HB3 LYS A 860 1.198 10.375 0.776 1.00 0.00 H new ATOM 0 HG2 LYS A 860 1.855 11.728 -1.410 1.00 0.00 H new ATOM 0 HG3 LYS A 860 0.657 10.696 -2.167 1.00 0.00 H new ATOM 0 HD2 LYS A 860 -0.934 11.391 -0.256 1.00 0.00 H new ATOM 0 HD3 LYS A 860 0.249 12.620 0.148 1.00 0.00 H new ATOM 0 HE2 LYS A 860 -0.093 13.811 -1.838 1.00 0.00 H new ATOM 0 HE3 LYS A 860 -0.669 12.405 -2.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 860 -2.468 13.928 -2.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 860 -2.711 12.461 -1.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 860 -2.152 13.823 -0.553 1.00 0.00 H new ATOM 960 N PHE A 861 4.162 10.359 1.330 1.00 0.00 N ATOM 961 CA PHE A 861 5.128 11.277 1.922 1.00 0.00 C ATOM 962 C PHE A 861 6.500 10.618 2.044 1.00 0.00 C ATOM 963 O PHE A 861 6.620 9.412 2.260 1.00 0.00 O ATOM 964 CB PHE A 861 4.648 11.739 3.299 1.00 0.00 C ATOM 965 CG PHE A 861 4.609 10.640 4.321 1.00 0.00 C ATOM 966 CD1 PHE A 861 3.498 9.819 4.433 1.00 0.00 C ATOM 967 CD2 PHE A 861 5.684 10.425 5.169 1.00 0.00 C ATOM 968 CE1 PHE A 861 3.459 8.807 5.373 1.00 0.00 C ATOM 969 CE2 PHE A 861 5.651 9.414 6.111 1.00 0.00 C ATOM 970 CZ PHE A 861 4.538 8.603 6.212 1.00 0.00 C ATOM 0 H PHE A 861 3.843 9.621 1.957 1.00 0.00 H new ATOM 0 HA PHE A 861 5.217 12.143 1.267 1.00 0.00 H new ATOM 0 HB2 PHE A 861 5.304 12.533 3.656 1.00 0.00 H new ATOM 0 HB3 PHE A 861 3.651 12.169 3.202 1.00 0.00 H new ATOM 0 HD1 PHE A 861 2.653 9.972 3.778 1.00 0.00 H new ATOM 0 HD2 PHE A 861 6.558 11.055 5.093 1.00 0.00 H new ATOM 0 HE1 PHE A 861 2.586 8.176 5.452 1.00 0.00 H new ATOM 0 HE2 PHE A 861 6.495 9.259 6.767 1.00 0.00 H new ATOM 0 HZ PHE A 861 4.511 7.811 6.945 1.00 0.00 H new ATOM 980 N PRO A 862 7.559 11.429 1.902 1.00 0.00 N ATOM 981 CA PRO A 862 8.941 10.948 1.993 1.00 0.00 C ATOM 982 C PRO A 862 9.321 10.538 3.411 1.00 0.00 C ATOM 983 O PRO A 862 8.858 11.133 4.385 1.00 0.00 O ATOM 984 CB PRO A 862 9.767 12.157 1.546 1.00 0.00 C ATOM 985 CG PRO A 862 8.907 13.335 1.847 1.00 0.00 C ATOM 986 CD PRO A 862 7.490 12.877 1.644 1.00 0.00 C ATOM 0 HA PRO A 862 9.103 10.056 1.388 1.00 0.00 H new ATOM 0 HB2 PRO A 862 10.714 12.210 2.084 1.00 0.00 H new ATOM 0 HB3 PRO A 862 10.006 12.102 0.484 1.00 0.00 H new ATOM 0 HG2 PRO A 862 9.063 13.681 2.869 1.00 0.00 H new ATOM 0 HG3 PRO A 862 9.145 14.170 1.188 1.00 0.00 H new ATOM 0 HD2 PRO A 862 6.805 13.375 2.330 1.00 0.00 H new ATOM 0 HD3 PRO A 862 7.140 13.089 0.634 1.00 0.00 H new ATOM 994 N VAL A 863 10.166 9.518 3.522 1.00 0.00 N ATOM 995 CA VAL A 863 10.609 9.030 4.822 1.00 0.00 C ATOM 996 C VAL A 863 12.113 9.212 4.995 1.00 0.00 C ATOM 997 O VAL A 863 12.897 8.860 4.113 1.00 0.00 O ATOM 998 CB VAL A 863 10.258 7.542 5.012 1.00 0.00 C ATOM 999 CG1 VAL A 863 10.777 7.037 6.350 1.00 0.00 C ATOM 1000 CG2 VAL A 863 8.756 7.330 4.899 1.00 0.00 C ATOM 0 H VAL A 863 10.558 9.014 2.727 1.00 0.00 H new ATOM 0 HA VAL A 863 10.086 9.619 5.576 1.00 0.00 H new ATOM 0 HB VAL A 863 10.743 6.969 4.222 1.00 0.00 H new ATOM 0 HG11 VAL A 863 10.520 5.984 6.466 1.00 0.00 H new ATOM 0 HG12 VAL A 863 11.860 7.152 6.387 1.00 0.00 H new ATOM 0 HG13 VAL A 863 10.323 7.613 7.157 1.00 0.00 H new ATOM 0 HG21 VAL A 863 8.526 6.273 5.036 1.00 0.00 H new ATOM 0 HG22 VAL A 863 8.247 7.914 5.666 1.00 0.00 H new ATOM 0 HG23 VAL A 863 8.416 7.651 3.914 1.00 0.00 H new ATOM 1010 N LYS A 864 12.509 9.764 6.136 1.00 0.00 N ATOM 1011 CA LYS A 864 13.919 9.993 6.427 1.00 0.00 C ATOM 1012 C LYS A 864 14.694 8.678 6.433 1.00 0.00 C ATOM 1013 O LYS A 864 14.129 7.598 6.607 1.00 0.00 O ATOM 1014 CB LYS A 864 14.075 10.695 7.778 1.00 0.00 C ATOM 1015 CG LYS A 864 14.056 12.211 7.681 1.00 0.00 C ATOM 1016 CD LYS A 864 14.650 12.856 8.922 1.00 0.00 C ATOM 1017 CE LYS A 864 16.170 12.792 8.909 1.00 0.00 C ATOM 1018 NZ LYS A 864 16.762 13.845 8.038 1.00 0.00 N ATOM 0 H LYS A 864 11.873 10.062 6.875 1.00 0.00 H new ATOM 0 HA LYS A 864 14.327 10.632 5.643 1.00 0.00 H new ATOM 0 HB2 LYS A 864 13.273 10.372 8.441 1.00 0.00 H new ATOM 0 HB3 LYS A 864 15.013 10.380 8.236 1.00 0.00 H new ATOM 0 HG2 LYS A 864 14.617 12.527 6.801 1.00 0.00 H new ATOM 0 HG3 LYS A 864 13.031 12.555 7.546 1.00 0.00 H new ATOM 0 HD2 LYS A 864 14.329 13.896 8.982 1.00 0.00 H new ATOM 0 HD3 LYS A 864 14.271 12.353 9.812 1.00 0.00 H new ATOM 0 HE2 LYS A 864 16.547 12.907 9.925 1.00 0.00 H new ATOM 0 HE3 LYS A 864 16.489 11.810 8.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 864 17.799 13.768 8.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 864 16.422 13.720 7.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 864 16.479 14.783 8.386 1.00 0.00 H new ATOM 1032 N PRO A 865 16.018 8.770 6.239 1.00 0.00 N ATOM 1033 CA PRO A 865 16.898 7.598 6.220 1.00 0.00 C ATOM 1034 C PRO A 865 17.044 6.960 7.597 1.00 0.00 C ATOM 1035 O PRO A 865 16.867 5.753 7.754 1.00 0.00 O ATOM 1036 CB PRO A 865 18.238 8.168 5.749 1.00 0.00 C ATOM 1037 CG PRO A 865 18.197 9.604 6.141 1.00 0.00 C ATOM 1038 CD PRO A 865 16.758 10.025 6.025 1.00 0.00 C ATOM 0 HA PRO A 865 16.508 6.806 5.581 1.00 0.00 H new ATOM 0 HB2 PRO A 865 19.075 7.653 6.220 1.00 0.00 H new ATOM 0 HB3 PRO A 865 18.360 8.055 4.672 1.00 0.00 H new ATOM 0 HG2 PRO A 865 18.563 9.741 7.159 1.00 0.00 H new ATOM 0 HG3 PRO A 865 18.833 10.204 5.490 1.00 0.00 H new ATOM 0 HD2 PRO A 865 16.498 10.777 6.770 1.00 0.00 H new ATOM 0 HD3 PRO A 865 16.543 10.457 5.048 1.00 0.00 H new ATOM 1046 N ALA A 866 17.368 7.780 8.592 1.00 0.00 N ATOM 1047 CA ALA A 866 17.536 7.295 9.957 1.00 0.00 C ATOM 1048 C ALA A 866 16.416 6.334 10.340 1.00 0.00 C ATOM 1049 O ALA A 866 16.662 5.162 10.624 1.00 0.00 O ATOM 1050 CB ALA A 866 17.586 8.465 10.929 1.00 0.00 C ATOM 0 H ALA A 866 17.519 8.782 8.479 1.00 0.00 H new ATOM 0 HA ALA A 866 18.479 6.751 10.010 1.00 0.00 H new ATOM 0 HB1 ALA A 866 17.712 8.089 11.944 1.00 0.00 H new ATOM 0 HB2 ALA A 866 18.425 9.113 10.675 1.00 0.00 H new ATOM 0 HB3 ALA A 866 16.657 9.032 10.864 1.00 0.00 H new ATOM 1056 N ASP A 867 15.187 6.838 10.346 1.00 0.00 N ATOM 1057 CA ASP A 867 14.029 6.023 10.694 1.00 0.00 C ATOM 1058 C ASP A 867 13.966 4.769 9.828 1.00 0.00 C ATOM 1059 O ASP A 867 13.992 3.648 10.337 1.00 0.00 O ATOM 1060 CB ASP A 867 12.742 6.834 10.534 1.00 0.00 C ATOM 1061 CG ASP A 867 12.599 7.910 11.593 1.00 0.00 C ATOM 1062 OD1 ASP A 867 13.110 9.028 11.375 1.00 0.00 O ATOM 1063 OD2 ASP A 867 11.978 7.633 12.641 1.00 0.00 O ATOM 0 H ASP A 867 14.967 7.807 10.114 1.00 0.00 H new ATOM 0 HA ASP A 867 14.130 5.718 11.735 1.00 0.00 H new ATOM 0 HB2 ASP A 867 12.728 7.296 9.547 1.00 0.00 H new ATOM 0 HB3 ASP A 867 11.885 6.163 10.584 1.00 0.00 H new ATOM 1068 N LEU A 868 13.882 4.966 8.517 1.00 0.00 N ATOM 1069 CA LEU A 868 13.814 3.852 7.578 1.00 0.00 C ATOM 1070 C LEU A 868 14.781 2.742 7.980 1.00 0.00 C ATOM 1071 O LEU A 868 14.373 1.607 8.226 1.00 0.00 O ATOM 1072 CB LEU A 868 14.131 4.332 6.161 1.00 0.00 C ATOM 1073 CG LEU A 868 13.935 3.306 5.045 1.00 0.00 C ATOM 1074 CD1 LEU A 868 12.460 3.165 4.703 1.00 0.00 C ATOM 1075 CD2 LEU A 868 14.735 3.700 3.812 1.00 0.00 C ATOM 0 H LEU A 868 13.859 5.887 8.080 1.00 0.00 H new ATOM 0 HA LEU A 868 12.800 3.452 7.600 1.00 0.00 H new ATOM 0 HB2 LEU A 868 13.506 5.199 5.944 1.00 0.00 H new ATOM 0 HB3 LEU A 868 15.166 4.672 6.137 1.00 0.00 H new ATOM 0 HG LEU A 868 14.299 2.341 5.397 1.00 0.00 H new ATOM 0 HD11 LEU A 868 12.340 2.431 3.907 1.00 0.00 H new ATOM 0 HD12 LEU A 868 11.912 2.836 5.586 1.00 0.00 H new ATOM 0 HD13 LEU A 868 12.070 4.127 4.371 1.00 0.00 H new ATOM 0 HD21 LEU A 868 14.584 2.958 3.028 1.00 0.00 H new ATOM 0 HD22 LEU A 868 14.401 4.676 3.458 1.00 0.00 H new ATOM 0 HD23 LEU A 868 15.794 3.749 4.066 1.00 0.00 H new ATOM 1087 N LYS A 869 16.065 3.079 8.046 1.00 0.00 N ATOM 1088 CA LYS A 869 17.091 2.114 8.421 1.00 0.00 C ATOM 1089 C LYS A 869 16.663 1.313 9.647 1.00 0.00 C ATOM 1090 O LYS A 869 16.700 0.083 9.643 1.00 0.00 O ATOM 1091 CB LYS A 869 18.415 2.828 8.702 1.00 0.00 C ATOM 1092 CG LYS A 869 19.299 2.974 7.476 1.00 0.00 C ATOM 1093 CD LYS A 869 18.717 3.966 6.483 1.00 0.00 C ATOM 1094 CE LYS A 869 19.503 3.978 5.181 1.00 0.00 C ATOM 1095 NZ LYS A 869 20.870 4.542 5.363 1.00 0.00 N ATOM 0 H LYS A 869 16.419 4.014 7.844 1.00 0.00 H new ATOM 0 HA LYS A 869 17.227 1.425 7.588 1.00 0.00 H new ATOM 0 HB2 LYS A 869 18.205 3.817 9.108 1.00 0.00 H new ATOM 0 HB3 LYS A 869 18.960 2.277 9.469 1.00 0.00 H new ATOM 0 HG2 LYS A 869 20.293 3.303 7.780 1.00 0.00 H new ATOM 0 HG3 LYS A 869 19.418 2.003 6.995 1.00 0.00 H new ATOM 0 HD2 LYS A 869 17.677 3.711 6.279 1.00 0.00 H new ATOM 0 HD3 LYS A 869 18.720 4.964 6.920 1.00 0.00 H new ATOM 0 HE2 LYS A 869 19.578 2.962 4.793 1.00 0.00 H new ATOM 0 HE3 LYS A 869 18.964 4.565 4.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 869 21.367 4.549 4.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 869 20.799 5.514 5.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 869 21.399 3.957 6.041 1.00 0.00 H new ATOM 1109 N LYS A 870 16.255 2.020 10.696 1.00 0.00 N ATOM 1110 CA LYS A 870 15.817 1.376 11.929 1.00 0.00 C ATOM 1111 C LYS A 870 14.690 0.385 11.655 1.00 0.00 C ATOM 1112 O LYS A 870 14.698 -0.734 12.167 1.00 0.00 O ATOM 1113 CB LYS A 870 15.351 2.427 12.940 1.00 0.00 C ATOM 1114 CG LYS A 870 16.441 3.404 13.347 1.00 0.00 C ATOM 1115 CD LYS A 870 15.974 4.328 14.459 1.00 0.00 C ATOM 1116 CE LYS A 870 14.916 5.303 13.965 1.00 0.00 C ATOM 1117 NZ LYS A 870 14.315 6.082 15.083 1.00 0.00 N ATOM 0 H LYS A 870 16.219 3.039 10.717 1.00 0.00 H new ATOM 0 HA LYS A 870 16.664 0.830 12.345 1.00 0.00 H new ATOM 0 HB2 LYS A 870 14.516 2.984 12.514 1.00 0.00 H new ATOM 0 HB3 LYS A 870 14.976 1.922 13.830 1.00 0.00 H new ATOM 0 HG2 LYS A 870 17.321 2.852 13.677 1.00 0.00 H new ATOM 0 HG3 LYS A 870 16.742 3.996 12.483 1.00 0.00 H new ATOM 0 HD2 LYS A 870 15.570 3.736 15.280 1.00 0.00 H new ATOM 0 HD3 LYS A 870 16.825 4.882 14.855 1.00 0.00 H new ATOM 0 HE2 LYS A 870 15.362 5.988 13.244 1.00 0.00 H new ATOM 0 HE3 LYS A 870 14.133 4.755 13.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 870 13.599 6.735 14.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 870 13.867 5.430 15.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 870 15.058 6.625 15.566 1.00 0.00 H new ATOM 1131 N ARG A 871 13.725 0.804 10.843 1.00 0.00 N ATOM 1132 CA ARG A 871 12.592 -0.048 10.501 1.00 0.00 C ATOM 1133 C ARG A 871 13.061 -1.328 9.816 1.00 0.00 C ATOM 1134 O ARG A 871 12.697 -2.431 10.223 1.00 0.00 O ATOM 1135 CB ARG A 871 11.619 0.703 9.591 1.00 0.00 C ATOM 1136 CG ARG A 871 10.901 1.851 10.282 1.00 0.00 C ATOM 1137 CD ARG A 871 9.910 1.345 11.318 1.00 0.00 C ATOM 1138 NE ARG A 871 10.567 0.981 12.571 1.00 0.00 N ATOM 1139 CZ ARG A 871 10.060 0.115 13.442 1.00 0.00 C ATOM 1140 NH1 ARG A 871 8.897 -0.473 13.197 1.00 0.00 N ATOM 1141 NH2 ARG A 871 10.717 -0.165 14.560 1.00 0.00 N ATOM 0 H ARG A 871 13.705 1.727 10.410 1.00 0.00 H new ATOM 0 HA ARG A 871 12.081 -0.318 11.425 1.00 0.00 H new ATOM 0 HB2 ARG A 871 12.165 1.092 8.732 1.00 0.00 H new ATOM 0 HB3 ARG A 871 10.879 0.001 9.207 1.00 0.00 H new ATOM 0 HG2 ARG A 871 11.631 2.502 10.763 1.00 0.00 H new ATOM 0 HG3 ARG A 871 10.377 2.454 9.540 1.00 0.00 H new ATOM 0 HD2 ARG A 871 9.162 2.114 11.511 1.00 0.00 H new ATOM 0 HD3 ARG A 871 9.381 0.479 10.921 1.00 0.00 H new ATOM 0 HE ARG A 871 11.464 1.415 12.789 1.00 0.00 H new ATOM 0 HH11 ARG A 871 8.389 -0.261 12.338 1.00 0.00 H new ATOM 0 HH12 ARG A 871 8.510 -1.137 13.867 1.00 0.00 H new ATOM 0 HH21 ARG A 871 11.612 0.285 14.752 1.00 0.00 H new ATOM 0 HH22 ARG A 871 10.327 -0.830 15.228 1.00 0.00 H new ATOM 1155 N ILE A 872 13.870 -1.172 8.773 1.00 0.00 N ATOM 1156 CA ILE A 872 14.390 -2.315 8.033 1.00 0.00 C ATOM 1157 C ILE A 872 15.159 -3.261 8.949 1.00 0.00 C ATOM 1158 O ILE A 872 14.757 -4.405 9.154 1.00 0.00 O ATOM 1159 CB ILE A 872 15.312 -1.869 6.883 1.00 0.00 C ATOM 1160 CG1 ILE A 872 14.574 -0.903 5.954 1.00 0.00 C ATOM 1161 CG2 ILE A 872 15.815 -3.078 6.108 1.00 0.00 C ATOM 1162 CD1 ILE A 872 15.491 -0.141 5.023 1.00 0.00 C ATOM 0 H ILE A 872 14.179 -0.266 8.422 1.00 0.00 H new ATOM 0 HA ILE A 872 13.529 -2.838 7.616 1.00 0.00 H new ATOM 0 HB ILE A 872 16.172 -1.350 7.307 1.00 0.00 H new ATOM 0 HG12 ILE A 872 13.851 -1.463 5.361 1.00 0.00 H new ATOM 0 HG13 ILE A 872 14.009 -0.192 6.557 1.00 0.00 H new ATOM 0 HG21 ILE A 872 16.465 -2.746 5.299 1.00 0.00 H new ATOM 0 HG22 ILE A 872 16.373 -3.733 6.777 1.00 0.00 H new ATOM 0 HG23 ILE A 872 14.967 -3.622 5.692 1.00 0.00 H new ATOM 0 HD11 ILE A 872 14.900 0.524 4.394 1.00 0.00 H new ATOM 0 HD12 ILE A 872 16.198 0.447 5.609 1.00 0.00 H new ATOM 0 HD13 ILE A 872 16.037 -0.844 4.394 1.00 0.00 H new ATOM 1174 N GLU A 873 16.267 -2.773 9.498 1.00 0.00 N ATOM 1175 CA GLU A 873 17.092 -3.575 10.394 1.00 0.00 C ATOM 1176 C GLU A 873 16.233 -4.274 11.444 1.00 0.00 C ATOM 1177 O GLU A 873 16.245 -5.500 11.555 1.00 0.00 O ATOM 1178 CB GLU A 873 18.141 -2.697 11.079 1.00 0.00 C ATOM 1179 CG GLU A 873 19.198 -2.158 10.130 1.00 0.00 C ATOM 1180 CD GLU A 873 19.911 -0.940 10.682 1.00 0.00 C ATOM 1181 OE1 GLU A 873 19.410 0.185 10.474 1.00 0.00 O ATOM 1182 OE2 GLU A 873 20.970 -1.110 11.322 1.00 0.00 O ATOM 0 H GLU A 873 16.614 -1.827 9.338 1.00 0.00 H new ATOM 0 HA GLU A 873 17.598 -4.335 9.799 1.00 0.00 H new ATOM 0 HB2 GLU A 873 17.640 -1.860 11.565 1.00 0.00 H new ATOM 0 HB3 GLU A 873 18.630 -3.275 11.863 1.00 0.00 H new ATOM 0 HG2 GLU A 873 19.929 -2.940 9.924 1.00 0.00 H new ATOM 0 HG3 GLU A 873 18.730 -1.901 9.180 1.00 0.00 H new ATOM 1189 N SER A 874 15.490 -3.485 12.214 1.00 0.00 N ATOM 1190 CA SER A 874 14.629 -4.027 13.258 1.00 0.00 C ATOM 1191 C SER A 874 13.794 -5.188 12.726 1.00 0.00 C ATOM 1192 O SER A 874 13.861 -6.304 13.242 1.00 0.00 O ATOM 1193 CB SER A 874 13.711 -2.934 13.809 1.00 0.00 C ATOM 1194 OG SER A 874 13.093 -3.348 15.016 1.00 0.00 O ATOM 0 H SER A 874 15.467 -2.468 12.134 1.00 0.00 H new ATOM 0 HA SER A 874 15.264 -4.398 14.062 1.00 0.00 H new ATOM 0 HB2 SER A 874 14.287 -2.025 13.985 1.00 0.00 H new ATOM 0 HB3 SER A 874 12.947 -2.690 13.071 1.00 0.00 H new ATOM 0 HG SER A 874 12.513 -2.632 15.349 1.00 0.00 H new ATOM 1200 N LEU A 875 13.008 -4.917 11.690 1.00 0.00 N ATOM 1201 CA LEU A 875 12.159 -5.938 11.086 1.00 0.00 C ATOM 1202 C LEU A 875 12.943 -7.224 10.843 1.00 0.00 C ATOM 1203 O LEU A 875 12.518 -8.307 11.248 1.00 0.00 O ATOM 1204 CB LEU A 875 11.573 -5.428 9.768 1.00 0.00 C ATOM 1205 CG LEU A 875 10.412 -4.440 9.888 1.00 0.00 C ATOM 1206 CD1 LEU A 875 10.039 -3.887 8.521 1.00 0.00 C ATOM 1207 CD2 LEU A 875 9.211 -5.105 10.543 1.00 0.00 C ATOM 0 H LEU A 875 12.941 -3.999 11.251 1.00 0.00 H new ATOM 0 HA LEU A 875 11.346 -6.155 11.778 1.00 0.00 H new ATOM 0 HB2 LEU A 875 12.371 -4.952 9.198 1.00 0.00 H new ATOM 0 HB3 LEU A 875 11.235 -6.286 9.187 1.00 0.00 H new ATOM 0 HG LEU A 875 10.730 -3.610 10.519 1.00 0.00 H new ATOM 0 HD11 LEU A 875 9.211 -3.186 8.626 1.00 0.00 H new ATOM 0 HD12 LEU A 875 10.898 -3.373 8.090 1.00 0.00 H new ATOM 0 HD13 LEU A 875 9.740 -4.706 7.866 1.00 0.00 H new ATOM 0 HD21 LEU A 875 8.395 -4.387 10.620 1.00 0.00 H new ATOM 0 HD22 LEU A 875 8.891 -5.954 9.939 1.00 0.00 H new ATOM 0 HD23 LEU A 875 9.485 -5.451 11.540 1.00 0.00 H new ATOM 1219 N ILE A 876 14.089 -7.096 10.183 1.00 0.00 N ATOM 1220 CA ILE A 876 14.933 -8.248 9.890 1.00 0.00 C ATOM 1221 C ILE A 876 15.214 -9.058 11.150 1.00 0.00 C ATOM 1222 O ILE A 876 15.216 -10.289 11.122 1.00 0.00 O ATOM 1223 CB ILE A 876 16.271 -7.819 9.259 1.00 0.00 C ATOM 1224 CG1 ILE A 876 16.023 -7.024 7.976 1.00 0.00 C ATOM 1225 CG2 ILE A 876 17.137 -9.037 8.975 1.00 0.00 C ATOM 1226 CD1 ILE A 876 17.240 -6.270 7.487 1.00 0.00 C ATOM 0 H ILE A 876 14.454 -6.207 9.841 1.00 0.00 H new ATOM 0 HA ILE A 876 14.387 -8.867 9.178 1.00 0.00 H new ATOM 0 HB ILE A 876 16.800 -7.178 9.965 1.00 0.00 H new ATOM 0 HG12 ILE A 876 15.690 -7.706 7.194 1.00 0.00 H new ATOM 0 HG13 ILE A 876 15.212 -6.316 8.148 1.00 0.00 H new ATOM 0 HG21 ILE A 876 18.079 -8.718 8.529 1.00 0.00 H new ATOM 0 HG22 ILE A 876 17.337 -9.566 9.907 1.00 0.00 H new ATOM 0 HG23 ILE A 876 16.616 -9.701 8.285 1.00 0.00 H new ATOM 0 HD11 ILE A 876 16.991 -5.729 6.574 1.00 0.00 H new ATOM 0 HD12 ILE A 876 17.561 -5.562 8.251 1.00 0.00 H new ATOM 0 HD13 ILE A 876 18.047 -6.974 7.283 1.00 0.00 H new ATOM 1238 N ASP A 877 15.450 -8.360 12.255 1.00 0.00 N ATOM 1239 CA ASP A 877 15.730 -9.014 13.528 1.00 0.00 C ATOM 1240 C ASP A 877 14.444 -9.518 14.175 1.00 0.00 C ATOM 1241 O ASP A 877 14.480 -10.314 15.114 1.00 0.00 O ATOM 1242 CB ASP A 877 16.448 -8.051 14.474 1.00 0.00 C ATOM 1243 CG ASP A 877 17.367 -8.768 15.444 1.00 0.00 C ATOM 1244 OD1 ASP A 877 17.982 -9.778 15.042 1.00 0.00 O ATOM 1245 OD2 ASP A 877 17.473 -8.318 16.604 1.00 0.00 O ATOM 0 H ASP A 877 15.453 -7.341 12.295 1.00 0.00 H new ATOM 0 HA ASP A 877 16.377 -9.869 13.334 1.00 0.00 H new ATOM 0 HB2 ASP A 877 17.028 -7.337 13.889 1.00 0.00 H new ATOM 0 HB3 ASP A 877 15.709 -7.478 15.034 1.00 0.00 H new ATOM 1250 N ARG A 878 13.309 -9.048 13.667 1.00 0.00 N ATOM 1251 CA ARG A 878 12.011 -9.448 14.197 1.00 0.00 C ATOM 1252 C ARG A 878 11.549 -10.760 13.568 1.00 0.00 C ATOM 1253 O ARG A 878 10.350 -11.006 13.434 1.00 0.00 O ATOM 1254 CB ARG A 878 10.973 -8.354 13.943 1.00 0.00 C ATOM 1255 CG ARG A 878 11.008 -7.231 14.967 1.00 0.00 C ATOM 1256 CD ARG A 878 10.107 -6.077 14.558 1.00 0.00 C ATOM 1257 NE ARG A 878 10.416 -4.854 15.294 1.00 0.00 N ATOM 1258 CZ ARG A 878 9.545 -3.869 15.483 1.00 0.00 C ATOM 1259 NH1 ARG A 878 8.316 -3.964 14.994 1.00 0.00 N ATOM 1260 NH2 ARG A 878 9.901 -2.788 16.164 1.00 0.00 N ATOM 0 H ARG A 878 13.262 -8.390 12.889 1.00 0.00 H new ATOM 0 HA ARG A 878 12.115 -9.597 15.272 1.00 0.00 H new ATOM 0 HB2 ARG A 878 11.136 -7.934 12.950 1.00 0.00 H new ATOM 0 HB3 ARG A 878 9.979 -8.801 13.941 1.00 0.00 H new ATOM 0 HG2 ARG A 878 10.694 -7.613 15.938 1.00 0.00 H new ATOM 0 HG3 ARG A 878 12.031 -6.873 15.081 1.00 0.00 H new ATOM 0 HD2 ARG A 878 10.215 -5.894 13.489 1.00 0.00 H new ATOM 0 HD3 ARG A 878 9.066 -6.351 14.731 1.00 0.00 H new ATOM 0 HE ARG A 878 11.353 -4.750 15.685 1.00 0.00 H new ATOM 0 HH11 ARG A 878 8.038 -4.795 14.472 1.00 0.00 H new ATOM 0 HH12 ARG A 878 7.649 -3.206 15.140 1.00 0.00 H new ATOM 0 HH21 ARG A 878 10.845 -2.712 16.543 1.00 0.00 H new ATOM 0 HH22 ARG A 878 9.231 -2.033 16.308 1.00 0.00 H new ATOM 1274 N ASP A 879 12.507 -11.596 13.185 1.00 0.00 N ATOM 1275 CA ASP A 879 12.198 -12.882 12.570 1.00 0.00 C ATOM 1276 C ASP A 879 11.285 -12.702 11.362 1.00 0.00 C ATOM 1277 O ASP A 879 10.282 -13.403 11.219 1.00 0.00 O ATOM 1278 CB ASP A 879 11.539 -13.813 13.589 1.00 0.00 C ATOM 1279 CG ASP A 879 11.779 -15.277 13.276 1.00 0.00 C ATOM 1280 OD1 ASP A 879 11.227 -15.766 12.269 1.00 0.00 O ATOM 1281 OD2 ASP A 879 12.519 -15.933 14.040 1.00 0.00 O ATOM 0 H ASP A 879 13.504 -11.407 13.289 1.00 0.00 H new ATOM 0 HA ASP A 879 13.133 -13.329 12.232 1.00 0.00 H new ATOM 0 HB2 ASP A 879 11.925 -13.589 14.584 1.00 0.00 H new ATOM 0 HB3 ASP A 879 10.466 -13.621 13.612 1.00 0.00 H new ATOM 1286 N TYR A 880 11.637 -11.758 10.496 1.00 0.00 N ATOM 1287 CA TYR A 880 10.847 -11.484 9.302 1.00 0.00 C ATOM 1288 C TYR A 880 11.706 -11.585 8.045 1.00 0.00 C ATOM 1289 O TYR A 880 11.262 -12.093 7.016 1.00 0.00 O ATOM 1290 CB TYR A 880 10.216 -10.093 9.391 1.00 0.00 C ATOM 1291 CG TYR A 880 8.970 -10.047 10.245 1.00 0.00 C ATOM 1292 CD1 TYR A 880 7.737 -10.432 9.731 1.00 0.00 C ATOM 1293 CD2 TYR A 880 9.024 -9.620 11.566 1.00 0.00 C ATOM 1294 CE1 TYR A 880 6.595 -10.391 10.508 1.00 0.00 C ATOM 1295 CE2 TYR A 880 7.888 -9.577 12.350 1.00 0.00 C ATOM 1296 CZ TYR A 880 6.676 -9.963 11.817 1.00 0.00 C ATOM 1297 OH TYR A 880 5.541 -9.922 12.594 1.00 0.00 O ATOM 0 H TYR A 880 12.464 -11.170 10.599 1.00 0.00 H new ATOM 0 HA TYR A 880 10.056 -12.232 9.241 1.00 0.00 H new ATOM 0 HB2 TYR A 880 10.950 -9.396 9.796 1.00 0.00 H new ATOM 0 HB3 TYR A 880 9.970 -9.750 8.386 1.00 0.00 H new ATOM 0 HD1 TYR A 880 7.671 -10.769 8.707 1.00 0.00 H new ATOM 0 HD2 TYR A 880 9.971 -9.316 11.987 1.00 0.00 H new ATOM 0 HE1 TYR A 880 5.645 -10.692 10.093 1.00 0.00 H new ATOM 0 HE2 TYR A 880 7.948 -9.243 13.375 1.00 0.00 H new ATOM 0 HH TYR A 880 5.770 -9.599 13.490 1.00 0.00 H new ATOM 1307 N MET A 881 12.940 -11.099 8.139 1.00 0.00 N ATOM 1308 CA MET A 881 13.863 -11.136 7.010 1.00 0.00 C ATOM 1309 C MET A 881 15.268 -11.511 7.470 1.00 0.00 C ATOM 1310 O MET A 881 15.634 -11.285 8.623 1.00 0.00 O ATOM 1311 CB MET A 881 13.890 -9.781 6.301 1.00 0.00 C ATOM 1312 CG MET A 881 12.534 -9.346 5.770 1.00 0.00 C ATOM 1313 SD MET A 881 11.908 -10.442 4.483 1.00 0.00 S ATOM 1314 CE MET A 881 12.904 -9.927 3.086 1.00 0.00 C ATOM 0 H MET A 881 13.323 -10.676 8.984 1.00 0.00 H new ATOM 0 HA MET A 881 13.513 -11.896 6.311 1.00 0.00 H new ATOM 0 HB2 MET A 881 14.259 -9.025 6.994 1.00 0.00 H new ATOM 0 HB3 MET A 881 14.597 -9.827 5.473 1.00 0.00 H new ATOM 0 HG2 MET A 881 11.820 -9.313 6.593 1.00 0.00 H new ATOM 0 HG3 MET A 881 12.611 -8.334 5.374 1.00 0.00 H new ATOM 0 HE1 MET A 881 12.264 -9.784 2.216 1.00 0.00 H new ATOM 0 HE2 MET A 881 13.408 -8.990 3.324 1.00 0.00 H new ATOM 0 HE3 MET A 881 13.648 -10.693 2.867 1.00 0.00 H new ATOM 1324 N GLU A 882 16.050 -12.085 6.561 1.00 0.00 N ATOM 1325 CA GLU A 882 17.415 -12.491 6.875 1.00 0.00 C ATOM 1326 C GLU A 882 18.403 -11.904 5.872 1.00 0.00 C ATOM 1327 O GLU A 882 18.149 -11.895 4.667 1.00 0.00 O ATOM 1328 CB GLU A 882 17.527 -14.017 6.884 1.00 0.00 C ATOM 1329 CG GLU A 882 17.190 -14.660 5.549 1.00 0.00 C ATOM 1330 CD GLU A 882 17.823 -16.028 5.384 1.00 0.00 C ATOM 1331 OE1 GLU A 882 17.577 -16.902 6.242 1.00 0.00 O ATOM 1332 OE2 GLU A 882 18.564 -16.225 4.399 1.00 0.00 O ATOM 0 H GLU A 882 15.762 -12.279 5.602 1.00 0.00 H new ATOM 0 HA GLU A 882 17.661 -12.109 7.866 1.00 0.00 H new ATOM 0 HB2 GLU A 882 18.542 -14.297 7.167 1.00 0.00 H new ATOM 0 HB3 GLU A 882 16.861 -14.417 7.649 1.00 0.00 H new ATOM 0 HG2 GLU A 882 16.108 -14.751 5.457 1.00 0.00 H new ATOM 0 HG3 GLU A 882 17.525 -14.009 4.742 1.00 0.00 H new ATOM 1339 N ARG A 883 19.529 -11.412 6.377 1.00 0.00 N ATOM 1340 CA ARG A 883 20.555 -10.821 5.526 1.00 0.00 C ATOM 1341 C ARG A 883 21.345 -11.903 4.795 1.00 0.00 C ATOM 1342 O ARG A 883 22.035 -12.710 5.418 1.00 0.00 O ATOM 1343 CB ARG A 883 21.503 -9.957 6.359 1.00 0.00 C ATOM 1344 CG ARG A 883 20.865 -8.679 6.879 1.00 0.00 C ATOM 1345 CD ARG A 883 21.827 -7.893 7.757 1.00 0.00 C ATOM 1346 NE ARG A 883 22.070 -8.559 9.034 1.00 0.00 N ATOM 1347 CZ ARG A 883 22.881 -8.078 9.970 1.00 0.00 C ATOM 1348 NH1 ARG A 883 23.523 -6.935 9.773 1.00 0.00 N ATOM 1349 NH2 ARG A 883 23.050 -8.742 11.107 1.00 0.00 N ATOM 0 H ARG A 883 19.754 -11.411 7.372 1.00 0.00 H new ATOM 0 HA ARG A 883 20.060 -10.194 4.785 1.00 0.00 H new ATOM 0 HB2 ARG A 883 21.866 -10.542 7.204 1.00 0.00 H new ATOM 0 HB3 ARG A 883 22.372 -9.699 5.754 1.00 0.00 H new ATOM 0 HG2 ARG A 883 20.550 -8.061 6.039 1.00 0.00 H new ATOM 0 HG3 ARG A 883 19.969 -8.924 7.448 1.00 0.00 H new ATOM 0 HD2 ARG A 883 22.773 -7.761 7.231 1.00 0.00 H new ATOM 0 HD3 ARG A 883 21.422 -6.898 7.938 1.00 0.00 H new ATOM 0 HE ARG A 883 21.591 -9.441 9.217 1.00 0.00 H new ATOM 0 HH11 ARG A 883 23.395 -6.422 8.901 1.00 0.00 H new ATOM 0 HH12 ARG A 883 24.145 -6.569 10.494 1.00 0.00 H new ATOM 0 HH21 ARG A 883 22.557 -9.622 11.262 1.00 0.00 H new ATOM 0 HH22 ARG A 883 23.673 -8.373 11.826 1.00 0.00 H new ATOM 1363 N ASP A 884 21.238 -11.912 3.471 1.00 0.00 N ATOM 1364 CA ASP A 884 21.942 -12.894 2.654 1.00 0.00 C ATOM 1365 C ASP A 884 23.432 -12.906 2.984 1.00 0.00 C ATOM 1366 O ASP A 884 24.106 -11.879 2.900 1.00 0.00 O ATOM 1367 CB ASP A 884 21.738 -12.594 1.169 1.00 0.00 C ATOM 1368 CG ASP A 884 21.776 -13.846 0.315 1.00 0.00 C ATOM 1369 OD1 ASP A 884 22.856 -14.467 0.217 1.00 0.00 O ATOM 1370 OD2 ASP A 884 20.725 -14.207 -0.256 1.00 0.00 O ATOM 0 H ASP A 884 20.671 -11.251 2.941 1.00 0.00 H new ATOM 0 HA ASP A 884 21.530 -13.878 2.877 1.00 0.00 H new ATOM 0 HB2 ASP A 884 20.780 -12.092 1.031 1.00 0.00 H new ATOM 0 HB3 ASP A 884 22.511 -11.904 0.831 1.00 0.00 H new ATOM 1375 N LYS A 885 23.940 -14.075 3.359 1.00 0.00 N ATOM 1376 CA LYS A 885 25.350 -14.223 3.701 1.00 0.00 C ATOM 1377 C LYS A 885 26.235 -13.528 2.672 1.00 0.00 C ATOM 1378 O LYS A 885 27.144 -12.778 3.027 1.00 0.00 O ATOM 1379 CB LYS A 885 25.721 -15.704 3.792 1.00 0.00 C ATOM 1380 CG LYS A 885 25.532 -16.296 5.178 1.00 0.00 C ATOM 1381 CD LYS A 885 26.464 -17.472 5.415 1.00 0.00 C ATOM 1382 CE LYS A 885 27.799 -17.018 5.987 1.00 0.00 C ATOM 1383 NZ LYS A 885 27.755 -16.900 7.471 1.00 0.00 N ATOM 0 H LYS A 885 23.396 -14.935 3.434 1.00 0.00 H new ATOM 0 HA LYS A 885 25.514 -13.754 4.671 1.00 0.00 H new ATOM 0 HB2 LYS A 885 25.115 -16.266 3.081 1.00 0.00 H new ATOM 0 HB3 LYS A 885 26.762 -15.828 3.492 1.00 0.00 H new ATOM 0 HG2 LYS A 885 25.715 -15.529 5.930 1.00 0.00 H new ATOM 0 HG3 LYS A 885 24.498 -16.620 5.298 1.00 0.00 H new ATOM 0 HD2 LYS A 885 25.994 -18.178 6.100 1.00 0.00 H new ATOM 0 HD3 LYS A 885 26.630 -18.001 4.477 1.00 0.00 H new ATOM 0 HE2 LYS A 885 28.576 -17.727 5.702 1.00 0.00 H new ATOM 0 HE3 LYS A 885 28.071 -16.055 5.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 885 28.683 -16.589 7.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 885 27.031 -16.205 7.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 885 27.520 -17.824 7.886 1.00 0.00 H new ATOM 1397 N GLU A 886 25.962 -13.780 1.396 1.00 0.00 N ATOM 1398 CA GLU A 886 26.734 -13.178 0.316 1.00 0.00 C ATOM 1399 C GLU A 886 26.940 -11.685 0.561 1.00 0.00 C ATOM 1400 O GLU A 886 28.001 -11.138 0.266 1.00 0.00 O ATOM 1401 CB GLU A 886 26.031 -13.393 -1.026 1.00 0.00 C ATOM 1402 CG GLU A 886 24.908 -12.404 -1.290 1.00 0.00 C ATOM 1403 CD GLU A 886 24.456 -12.407 -2.737 1.00 0.00 C ATOM 1404 OE1 GLU A 886 25.259 -12.018 -3.611 1.00 0.00 O ATOM 1405 OE2 GLU A 886 23.298 -12.799 -2.996 1.00 0.00 O ATOM 0 H GLU A 886 25.212 -14.397 1.085 1.00 0.00 H new ATOM 0 HA GLU A 886 27.710 -13.663 0.288 1.00 0.00 H new ATOM 0 HB2 GLU A 886 26.766 -13.318 -1.828 1.00 0.00 H new ATOM 0 HB3 GLU A 886 25.627 -14.405 -1.057 1.00 0.00 H new ATOM 0 HG2 GLU A 886 24.060 -12.643 -0.648 1.00 0.00 H new ATOM 0 HG3 GLU A 886 25.240 -11.402 -1.019 1.00 0.00 H new ATOM 1412 N ASN A 887 25.916 -11.034 1.103 1.00 0.00 N ATOM 1413 CA ASN A 887 25.983 -9.606 1.388 1.00 0.00 C ATOM 1414 C ASN A 887 24.745 -9.144 2.151 1.00 0.00 C ATOM 1415 O ASN A 887 23.627 -9.595 1.901 1.00 0.00 O ATOM 1416 CB ASN A 887 26.119 -8.811 0.087 1.00 0.00 C ATOM 1417 CG ASN A 887 27.558 -8.714 -0.382 1.00 0.00 C ATOM 1418 OD1 ASN A 887 27.926 -9.276 -1.413 1.00 0.00 O ATOM 1419 ND2 ASN A 887 28.380 -7.997 0.376 1.00 0.00 N ATOM 0 H ASN A 887 25.030 -11.473 1.354 1.00 0.00 H new ATOM 0 HA ASN A 887 26.860 -9.426 2.010 1.00 0.00 H new ATOM 0 HB2 ASN A 887 25.518 -9.284 -0.689 1.00 0.00 H new ATOM 0 HB3 ASN A 887 25.719 -7.808 0.234 1.00 0.00 H new ATOM 0 HD21 ASN A 887 29.360 -7.895 0.111 1.00 0.00 H new ATOM 0 HD22 ASN A 887 28.031 -7.548 1.223 1.00 0.00 H new ATOM 1426 N PRO A 888 24.947 -8.223 3.105 1.00 0.00 N ATOM 1427 CA PRO A 888 23.859 -7.679 3.923 1.00 0.00 C ATOM 1428 C PRO A 888 22.921 -6.784 3.120 1.00 0.00 C ATOM 1429 O PRO A 888 21.980 -6.208 3.665 1.00 0.00 O ATOM 1430 CB PRO A 888 24.593 -6.863 4.991 1.00 0.00 C ATOM 1431 CG PRO A 888 25.891 -6.494 4.360 1.00 0.00 C ATOM 1432 CD PRO A 888 26.253 -7.640 3.457 1.00 0.00 C ATOM 0 HA PRO A 888 23.222 -8.465 4.329 1.00 0.00 H new ATOM 0 HB2 PRO A 888 24.024 -5.977 5.273 1.00 0.00 H new ATOM 0 HB3 PRO A 888 24.746 -7.446 5.899 1.00 0.00 H new ATOM 0 HG2 PRO A 888 25.801 -5.566 3.796 1.00 0.00 H new ATOM 0 HG3 PRO A 888 26.661 -6.334 5.115 1.00 0.00 H new ATOM 0 HD2 PRO A 888 26.793 -7.300 2.573 1.00 0.00 H new ATOM 0 HD3 PRO A 888 26.893 -8.363 3.963 1.00 0.00 H new ATOM 1440 N ASN A 889 23.184 -6.673 1.822 1.00 0.00 N ATOM 1441 CA ASN A 889 22.362 -5.848 0.944 1.00 0.00 C ATOM 1442 C ASN A 889 21.113 -6.603 0.501 1.00 0.00 C ATOM 1443 O ASN A 889 20.043 -6.014 0.346 1.00 0.00 O ATOM 1444 CB ASN A 889 23.168 -5.410 -0.280 1.00 0.00 C ATOM 1445 CG ASN A 889 24.318 -4.490 0.083 1.00 0.00 C ATOM 1446 OD1 ASN A 889 25.379 -5.061 0.641 1.00 0.00 O flip ATOM 1447 ND2 ASN A 889 24.252 -3.280 -0.135 1.00 0.00 N flip ATOM 0 H ASN A 889 23.959 -7.144 1.355 1.00 0.00 H new ATOM 0 HA ASN A 889 22.052 -4.964 1.502 1.00 0.00 H new ATOM 0 HB2 ASN A 889 23.558 -6.291 -0.789 1.00 0.00 H new ATOM 0 HB3 ASN A 889 22.508 -4.902 -0.983 1.00 0.00 H new ATOM 0 HD21 ASN A 889 23.417 -2.884 -0.566 1.00 0.00 H new ATOM 0 HD22 ASN A 889 25.033 -2.673 0.115 1.00 0.00 H new ATOM 1454 N GLN A 890 21.257 -7.908 0.299 1.00 0.00 N ATOM 1455 CA GLN A 890 20.140 -8.743 -0.127 1.00 0.00 C ATOM 1456 C GLN A 890 19.448 -9.380 1.074 1.00 0.00 C ATOM 1457 O GLN A 890 20.104 -9.904 1.975 1.00 0.00 O ATOM 1458 CB GLN A 890 20.625 -9.831 -1.087 1.00 0.00 C ATOM 1459 CG GLN A 890 19.546 -10.831 -1.470 1.00 0.00 C ATOM 1460 CD GLN A 890 19.770 -11.434 -2.842 1.00 0.00 C ATOM 1461 OE1 GLN A 890 20.491 -12.421 -2.989 1.00 0.00 O ATOM 1462 NE2 GLN A 890 19.151 -10.843 -3.857 1.00 0.00 N ATOM 0 H GLN A 890 22.136 -8.410 0.423 1.00 0.00 H new ATOM 0 HA GLN A 890 19.421 -8.107 -0.644 1.00 0.00 H new ATOM 0 HB2 GLN A 890 21.010 -9.360 -1.992 1.00 0.00 H new ATOM 0 HB3 GLN A 890 21.457 -10.365 -0.627 1.00 0.00 H new ATOM 0 HG2 GLN A 890 19.515 -11.628 -0.728 1.00 0.00 H new ATOM 0 HG3 GLN A 890 18.574 -10.337 -1.448 1.00 0.00 H new ATOM 0 HE21 GLN A 890 18.562 -10.027 -3.690 1.00 0.00 H new ATOM 0 HE22 GLN A 890 19.264 -11.205 -4.804 1.00 0.00 H new ATOM 1471 N TYR A 891 18.121 -9.331 1.080 1.00 0.00 N ATOM 1472 CA TYR A 891 17.340 -9.901 2.171 1.00 0.00 C ATOM 1473 C TYR A 891 16.428 -11.015 1.665 1.00 0.00 C ATOM 1474 O TYR A 891 15.992 -11.001 0.515 1.00 0.00 O ATOM 1475 CB TYR A 891 16.506 -8.814 2.851 1.00 0.00 C ATOM 1476 CG TYR A 891 17.283 -7.550 3.146 1.00 0.00 C ATOM 1477 CD1 TYR A 891 18.364 -7.563 4.019 1.00 0.00 C ATOM 1478 CD2 TYR A 891 16.936 -6.344 2.550 1.00 0.00 C ATOM 1479 CE1 TYR A 891 19.075 -6.411 4.291 1.00 0.00 C ATOM 1480 CE2 TYR A 891 17.643 -5.187 2.816 1.00 0.00 C ATOM 1481 CZ TYR A 891 18.712 -5.226 3.687 1.00 0.00 C ATOM 1482 OH TYR A 891 19.419 -4.076 3.955 1.00 0.00 O ATOM 0 H TYR A 891 17.563 -8.902 0.341 1.00 0.00 H new ATOM 0 HA TYR A 891 18.034 -10.326 2.897 1.00 0.00 H new ATOM 0 HB2 TYR A 891 15.656 -8.568 2.214 1.00 0.00 H new ATOM 0 HB3 TYR A 891 16.102 -9.208 3.783 1.00 0.00 H new ATOM 0 HD1 TYR A 891 18.653 -8.490 4.493 1.00 0.00 H new ATOM 0 HD2 TYR A 891 16.100 -6.310 1.867 1.00 0.00 H new ATOM 0 HE1 TYR A 891 19.911 -6.438 4.974 1.00 0.00 H new ATOM 0 HE2 TYR A 891 17.360 -4.257 2.345 1.00 0.00 H new ATOM 0 HH TYR A 891 20.378 -4.277 3.967 1.00 0.00 H new ATOM 1492 N ASN A 892 16.145 -11.979 2.535 1.00 0.00 N ATOM 1493 CA ASN A 892 15.285 -13.102 2.178 1.00 0.00 C ATOM 1494 C ASN A 892 14.064 -13.164 3.091 1.00 0.00 C ATOM 1495 O ASN A 892 14.103 -12.699 4.230 1.00 0.00 O ATOM 1496 CB ASN A 892 16.065 -14.415 2.261 1.00 0.00 C ATOM 1497 CG ASN A 892 17.359 -14.370 1.472 1.00 0.00 C ATOM 1498 OD1 ASN A 892 17.398 -14.747 0.301 1.00 0.00 O ATOM 1499 ND2 ASN A 892 18.427 -13.908 2.112 1.00 0.00 N ATOM 0 H ASN A 892 16.498 -12.005 3.492 1.00 0.00 H new ATOM 0 HA ASN A 892 14.943 -12.954 1.154 1.00 0.00 H new ATOM 0 HB2 ASN A 892 16.287 -14.637 3.305 1.00 0.00 H new ATOM 0 HB3 ASN A 892 15.443 -15.228 1.887 1.00 0.00 H new ATOM 0 HD21 ASN A 892 19.326 -13.855 1.632 1.00 0.00 H new ATOM 0 HD22 ASN A 892 18.349 -13.606 3.083 1.00 0.00 H new ATOM 1506 N TYR A 893 12.981 -13.741 2.582 1.00 0.00 N ATOM 1507 CA TYR A 893 11.748 -13.863 3.351 1.00 0.00 C ATOM 1508 C TYR A 893 11.779 -15.103 4.239 1.00 0.00 C ATOM 1509 O TYR A 893 11.822 -16.231 3.748 1.00 0.00 O ATOM 1510 CB TYR A 893 10.542 -13.925 2.412 1.00 0.00 C ATOM 1511 CG TYR A 893 9.218 -13.722 3.113 1.00 0.00 C ATOM 1512 CD1 TYR A 893 8.975 -12.578 3.863 1.00 0.00 C ATOM 1513 CD2 TYR A 893 8.210 -14.675 3.027 1.00 0.00 C ATOM 1514 CE1 TYR A 893 7.767 -12.388 4.506 1.00 0.00 C ATOM 1515 CE2 TYR A 893 6.999 -14.493 3.665 1.00 0.00 C ATOM 1516 CZ TYR A 893 6.782 -13.348 4.404 1.00 0.00 C ATOM 1517 OH TYR A 893 5.577 -13.165 5.043 1.00 0.00 O ATOM 0 H TYR A 893 12.932 -14.131 1.641 1.00 0.00 H new ATOM 0 HA TYR A 893 11.660 -12.984 3.989 1.00 0.00 H new ATOM 0 HB2 TYR A 893 10.655 -13.165 1.639 1.00 0.00 H new ATOM 0 HB3 TYR A 893 10.533 -14.892 1.909 1.00 0.00 H new ATOM 0 HD1 TYR A 893 9.744 -11.824 3.945 1.00 0.00 H new ATOM 0 HD2 TYR A 893 8.377 -15.573 2.451 1.00 0.00 H new ATOM 0 HE1 TYR A 893 7.595 -11.493 5.085 1.00 0.00 H new ATOM 0 HE2 TYR A 893 6.226 -15.243 3.586 1.00 0.00 H new ATOM 0 HH TYR A 893 4.994 -13.933 4.869 1.00 0.00 H new ATOM 1527 N ILE A 894 11.757 -14.884 5.549 1.00 0.00 N ATOM 1528 CA ILE A 894 11.781 -15.983 6.507 1.00 0.00 C ATOM 1529 C ILE A 894 10.434 -16.132 7.206 1.00 0.00 C ATOM 1530 O ILE A 894 9.953 -17.245 7.417 1.00 0.00 O ATOM 1531 CB ILE A 894 12.878 -15.780 7.569 1.00 0.00 C ATOM 1532 CG1 ILE A 894 12.812 -14.360 8.137 1.00 0.00 C ATOM 1533 CG2 ILE A 894 14.250 -16.055 6.973 1.00 0.00 C ATOM 1534 CD1 ILE A 894 13.861 -14.082 9.191 1.00 0.00 C ATOM 0 H ILE A 894 11.723 -13.956 5.972 1.00 0.00 H new ATOM 0 HA ILE A 894 11.997 -16.890 5.942 1.00 0.00 H new ATOM 0 HB ILE A 894 12.710 -16.485 8.383 1.00 0.00 H new ATOM 0 HG12 ILE A 894 12.929 -13.646 7.322 1.00 0.00 H new ATOM 0 HG13 ILE A 894 11.824 -14.195 8.567 1.00 0.00 H new ATOM 0 HG21 ILE A 894 15.014 -15.907 7.736 1.00 0.00 H new ATOM 0 HG22 ILE A 894 14.291 -17.083 6.613 1.00 0.00 H new ATOM 0 HG23 ILE A 894 14.429 -15.372 6.143 1.00 0.00 H new ATOM 0 HD11 ILE A 894 13.755 -13.058 9.549 1.00 0.00 H new ATOM 0 HD12 ILE A 894 13.732 -14.773 10.024 1.00 0.00 H new ATOM 0 HD13 ILE A 894 14.854 -14.215 8.760 1.00 0.00 H new ATOM 1546 N ALA A 895 9.829 -15.003 7.561 1.00 0.00 N ATOM 1547 CA ALA A 895 8.535 -15.009 8.232 1.00 0.00 C ATOM 1548 C ALA A 895 7.648 -16.132 7.706 1.00 0.00 C ATOM 1549 O ALA A 895 7.157 -16.959 8.474 1.00 0.00 O ATOM 1550 CB ALA A 895 7.845 -13.664 8.059 1.00 0.00 C ATOM 0 H ALA A 895 10.214 -14.073 7.395 1.00 0.00 H new ATOM 0 HA ALA A 895 8.706 -15.184 9.294 1.00 0.00 H new ATOM 0 HB1 ALA A 895 6.880 -13.682 8.565 1.00 0.00 H new ATOM 0 HB2 ALA A 895 8.466 -12.879 8.490 1.00 0.00 H new ATOM 0 HB3 ALA A 895 7.695 -13.466 6.998 1.00 0.00 H new