USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=17 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 848 HIS : no HD1:sc= -0.672 K(o=-0.67,f=-1.7) USER MOD Set 1.2: A 891 TYR OH : rot 54:sc= 0.0011 USER MOD Set 2.1: A 840 MET CE :methyl -128:sc= -0.69 (180deg=-4.52!) USER MOD Set 2.2: A 881 MET CE :methyl -179:sc= -4.15! (180deg=-4.27!) USER MOD Set 3.1: A 845 THR OG1 : rot -113:sc= 0.888 USER MOD Set 3.2: A 892 ASN : amide:sc= 0.198 K(o=1.1,f=0.2) USER MOD Single : A 829 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 830 TYR OH : rot 180:sc= 0 USER MOD Single : A 831 GLN : amide:sc= -0.721 K(o=-0.72,f=-2!) USER MOD Single : A 841 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 842 MET CE :methyl -160:sc= -0.0664 (180deg=-0.419) USER MOD Single : A 844 LYS NZ :NH3+ 158:sc= -0.349 (180deg=-1.01) USER MOD Single : A 847 SER OG : rot 180:sc= 0 USER MOD Single : A 849 ASN : amide:sc= -0.497 K(o=-0.5,f=-11!) USER MOD Single : A 853 SER OG : rot 180:sc= 0 USER MOD Single : A 856 TYR OH : rot 180:sc= 0 USER MOD Single : A 857 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 858 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 860 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 864 LYS NZ :NH3+ 159:sc= -0.0275 (180deg=-0.277) USER MOD Single : A 869 LYS NZ :NH3+ -159:sc= -0.0416 (180deg=-0.342) USER MOD Single : A 870 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 874 SER OG : rot 87:sc= 0.0646 USER MOD Single : A 880 TYR OH : rot 180:sc= 0 USER MOD Single : A 885 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0292) USER MOD Single : A 887 ASN : amide:sc= 0 X(o=0,f=0.11) USER MOD Single : A 889 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 890 GLN :FLIP amide:sc= -3.12 F(o=-4!,f=-3.1) USER MOD Single : A 893 TYR OH : rot 180:sc= -0.4 USER MOD ----------------------------------------------------------------- ATOM 386 N ARG A 828 2.876 7.081 11.075 1.00 0.00 N ATOM 387 CA ARG A 828 4.081 7.029 10.256 1.00 0.00 C ATOM 388 C ARG A 828 4.785 5.684 10.410 1.00 0.00 C ATOM 389 O ARG A 828 4.819 4.880 9.479 1.00 0.00 O ATOM 390 CB ARG A 828 5.034 8.162 10.638 1.00 0.00 C ATOM 391 CG ARG A 828 5.893 8.652 9.484 1.00 0.00 C ATOM 392 CD ARG A 828 6.834 9.764 9.922 1.00 0.00 C ATOM 393 NE ARG A 828 6.157 11.056 9.998 1.00 0.00 N ATOM 394 CZ ARG A 828 6.754 12.176 10.387 1.00 0.00 C ATOM 395 NH1 ARG A 828 8.034 12.164 10.734 1.00 0.00 N ATOM 396 NH2 ARG A 828 6.071 13.313 10.430 1.00 0.00 N ATOM 0 HA ARG A 828 3.786 7.149 9.213 1.00 0.00 H new ATOM 0 HB2 ARG A 828 4.453 8.998 11.028 1.00 0.00 H new ATOM 0 HB3 ARG A 828 5.684 7.822 11.444 1.00 0.00 H new ATOM 0 HG2 ARG A 828 6.472 7.821 9.082 1.00 0.00 H new ATOM 0 HG3 ARG A 828 5.252 9.012 8.679 1.00 0.00 H new ATOM 0 HD2 ARG A 828 7.257 9.518 10.896 1.00 0.00 H new ATOM 0 HD3 ARG A 828 7.666 9.832 9.221 1.00 0.00 H new ATOM 0 HE ARG A 828 5.172 11.100 9.738 1.00 0.00 H new ATOM 0 HH11 ARG A 828 8.563 11.292 10.702 1.00 0.00 H new ATOM 0 HH12 ARG A 828 8.490 13.026 11.032 1.00 0.00 H new ATOM 0 HH21 ARG A 828 5.086 13.327 10.164 1.00 0.00 H new ATOM 0 HH22 ARG A 828 6.531 14.173 10.729 1.00 0.00 H new ATOM 410 N GLN A 829 5.347 5.448 11.592 1.00 0.00 N ATOM 411 CA GLN A 829 6.051 4.201 11.867 1.00 0.00 C ATOM 412 C GLN A 829 5.305 3.012 11.272 1.00 0.00 C ATOM 413 O GLN A 829 5.918 2.084 10.743 1.00 0.00 O ATOM 414 CB GLN A 829 6.222 4.010 13.375 1.00 0.00 C ATOM 415 CG GLN A 829 4.912 4.057 14.146 1.00 0.00 C ATOM 416 CD GLN A 829 5.116 3.982 15.646 1.00 0.00 C ATOM 417 OE1 GLN A 829 6.080 4.531 16.182 1.00 0.00 O ATOM 418 NE2 GLN A 829 4.206 3.302 16.334 1.00 0.00 N ATOM 0 H GLN A 829 5.328 6.103 12.373 1.00 0.00 H new ATOM 0 HA GLN A 829 7.035 4.258 11.402 1.00 0.00 H new ATOM 0 HB2 GLN A 829 6.708 3.052 13.559 1.00 0.00 H new ATOM 0 HB3 GLN A 829 6.887 4.784 13.758 1.00 0.00 H new ATOM 0 HG2 GLN A 829 4.383 4.978 13.901 1.00 0.00 H new ATOM 0 HG3 GLN A 829 4.277 3.230 13.827 1.00 0.00 H new ATOM 0 HE21 GLN A 829 3.423 2.863 15.849 1.00 0.00 H new ATOM 0 HE22 GLN A 829 4.290 3.219 17.347 1.00 0.00 H new ATOM 427 N TYR A 830 3.980 3.045 11.363 1.00 0.00 N ATOM 428 CA TYR A 830 3.151 1.968 10.836 1.00 0.00 C ATOM 429 C TYR A 830 3.190 1.947 9.311 1.00 0.00 C ATOM 430 O TYR A 830 3.369 0.894 8.699 1.00 0.00 O ATOM 431 CB TYR A 830 1.708 2.125 11.318 1.00 0.00 C ATOM 432 CG TYR A 830 1.506 1.730 12.764 1.00 0.00 C ATOM 433 CD1 TYR A 830 2.050 0.554 13.265 1.00 0.00 C ATOM 434 CD2 TYR A 830 0.771 2.532 13.628 1.00 0.00 C ATOM 435 CE1 TYR A 830 1.868 0.189 14.585 1.00 0.00 C ATOM 436 CE2 TYR A 830 0.584 2.176 14.949 1.00 0.00 C ATOM 437 CZ TYR A 830 1.135 1.003 15.423 1.00 0.00 C ATOM 438 OH TYR A 830 0.950 0.643 16.738 1.00 0.00 O ATOM 0 H TYR A 830 3.457 3.806 11.797 1.00 0.00 H new ATOM 0 HA TYR A 830 3.550 1.023 11.205 1.00 0.00 H new ATOM 0 HB2 TYR A 830 1.401 3.163 11.187 1.00 0.00 H new ATOM 0 HB3 TYR A 830 1.056 1.518 10.690 1.00 0.00 H new ATOM 0 HD1 TYR A 830 2.625 -0.086 12.612 1.00 0.00 H new ATOM 0 HD2 TYR A 830 0.338 3.450 13.260 1.00 0.00 H new ATOM 0 HE1 TYR A 830 2.297 -0.729 14.959 1.00 0.00 H new ATOM 0 HE2 TYR A 830 0.010 2.812 15.607 1.00 0.00 H new ATOM 0 HH TYR A 830 0.412 1.325 17.191 1.00 0.00 H new ATOM 448 N GLN A 831 3.021 3.117 8.705 1.00 0.00 N ATOM 449 CA GLN A 831 3.037 3.233 7.251 1.00 0.00 C ATOM 450 C GLN A 831 4.292 2.593 6.667 1.00 0.00 C ATOM 451 O GLN A 831 4.235 1.915 5.641 1.00 0.00 O ATOM 452 CB GLN A 831 2.960 4.703 6.835 1.00 0.00 C ATOM 453 CG GLN A 831 1.538 5.225 6.706 1.00 0.00 C ATOM 454 CD GLN A 831 0.760 4.533 5.604 1.00 0.00 C ATOM 455 OE1 GLN A 831 0.290 3.407 5.773 1.00 0.00 O ATOM 456 NE2 GLN A 831 0.619 5.204 4.467 1.00 0.00 N ATOM 0 H GLN A 831 2.871 3.998 9.197 1.00 0.00 H new ATOM 0 HA GLN A 831 2.167 2.705 6.860 1.00 0.00 H new ATOM 0 HB2 GLN A 831 3.495 5.308 7.567 1.00 0.00 H new ATOM 0 HB3 GLN A 831 3.473 4.829 5.881 1.00 0.00 H new ATOM 0 HG2 GLN A 831 1.017 5.088 7.654 1.00 0.00 H new ATOM 0 HG3 GLN A 831 1.565 6.297 6.509 1.00 0.00 H new ATOM 0 HE21 GLN A 831 1.025 6.135 4.370 1.00 0.00 H new ATOM 0 HE22 GLN A 831 0.105 4.789 3.690 1.00 0.00 H new ATOM 465 N ILE A 832 5.424 2.812 7.328 1.00 0.00 N ATOM 466 CA ILE A 832 6.692 2.255 6.874 1.00 0.00 C ATOM 467 C ILE A 832 6.760 0.755 7.138 1.00 0.00 C ATOM 468 O ILE A 832 6.691 -0.052 6.211 1.00 0.00 O ATOM 469 CB ILE A 832 7.887 2.941 7.564 1.00 0.00 C ATOM 470 CG1 ILE A 832 7.944 4.421 7.182 1.00 0.00 C ATOM 471 CG2 ILE A 832 9.186 2.241 7.192 1.00 0.00 C ATOM 472 CD1 ILE A 832 6.970 5.283 7.954 1.00 0.00 C ATOM 0 H ILE A 832 5.489 3.371 8.179 1.00 0.00 H new ATOM 0 HA ILE A 832 6.749 2.435 5.801 1.00 0.00 H new ATOM 0 HB ILE A 832 7.755 2.869 8.644 1.00 0.00 H new ATOM 0 HG12 ILE A 832 8.955 4.792 7.348 1.00 0.00 H new ATOM 0 HG13 ILE A 832 7.739 4.521 6.116 1.00 0.00 H new ATOM 0 HG21 ILE A 832 10.021 2.737 7.687 1.00 0.00 H new ATOM 0 HG22 ILE A 832 9.142 1.199 7.510 1.00 0.00 H new ATOM 0 HG23 ILE A 832 9.327 2.285 6.112 1.00 0.00 H new ATOM 0 HD11 ILE A 832 7.066 6.320 7.631 1.00 0.00 H new ATOM 0 HD12 ILE A 832 5.953 4.938 7.769 1.00 0.00 H new ATOM 0 HD13 ILE A 832 7.188 5.213 9.020 1.00 0.00 H new ATOM 484 N ASP A 833 6.893 0.388 8.408 1.00 0.00 N ATOM 485 CA ASP A 833 6.966 -1.016 8.795 1.00 0.00 C ATOM 486 C ASP A 833 5.965 -1.851 8.003 1.00 0.00 C ATOM 487 O ASP A 833 6.250 -2.987 7.625 1.00 0.00 O ATOM 488 CB ASP A 833 6.704 -1.168 10.294 1.00 0.00 C ATOM 489 CG ASP A 833 6.982 -2.573 10.790 1.00 0.00 C ATOM 490 OD1 ASP A 833 6.551 -3.535 10.120 1.00 0.00 O ATOM 491 OD2 ASP A 833 7.630 -2.712 11.849 1.00 0.00 O ATOM 0 H ASP A 833 6.952 1.044 9.187 1.00 0.00 H new ATOM 0 HA ASP A 833 7.970 -1.377 8.571 1.00 0.00 H new ATOM 0 HB2 ASP A 833 7.328 -0.462 10.842 1.00 0.00 H new ATOM 0 HB3 ASP A 833 5.667 -0.909 10.507 1.00 0.00 H new ATOM 496 N ALA A 834 4.790 -1.280 7.756 1.00 0.00 N ATOM 497 CA ALA A 834 3.747 -1.971 7.009 1.00 0.00 C ATOM 498 C ALA A 834 4.135 -2.130 5.543 1.00 0.00 C ATOM 499 O ALA A 834 4.048 -3.222 4.982 1.00 0.00 O ATOM 500 CB ALA A 834 2.428 -1.222 7.129 1.00 0.00 C ATOM 0 H ALA A 834 4.537 -0.341 8.063 1.00 0.00 H new ATOM 0 HA ALA A 834 3.628 -2.967 7.436 1.00 0.00 H new ATOM 0 HB1 ALA A 834 1.658 -1.749 6.566 1.00 0.00 H new ATOM 0 HB2 ALA A 834 2.136 -1.165 8.178 1.00 0.00 H new ATOM 0 HB3 ALA A 834 2.544 -0.215 6.729 1.00 0.00 H new ATOM 506 N ALA A 835 4.564 -1.033 4.927 1.00 0.00 N ATOM 507 CA ALA A 835 4.967 -1.052 3.526 1.00 0.00 C ATOM 508 C ALA A 835 6.128 -2.014 3.301 1.00 0.00 C ATOM 509 O ALA A 835 6.227 -2.647 2.250 1.00 0.00 O ATOM 510 CB ALA A 835 5.344 0.349 3.067 1.00 0.00 C ATOM 0 H ALA A 835 4.641 -0.120 5.376 1.00 0.00 H new ATOM 0 HA ALA A 835 4.120 -1.402 2.935 1.00 0.00 H new ATOM 0 HB1 ALA A 835 5.643 0.320 2.019 1.00 0.00 H new ATOM 0 HB2 ALA A 835 4.487 1.012 3.182 1.00 0.00 H new ATOM 0 HB3 ALA A 835 6.173 0.719 3.671 1.00 0.00 H new ATOM 516 N ILE A 836 7.004 -2.120 4.295 1.00 0.00 N ATOM 517 CA ILE A 836 8.157 -3.006 4.205 1.00 0.00 C ATOM 518 C ILE A 836 7.732 -4.470 4.255 1.00 0.00 C ATOM 519 O ILE A 836 8.067 -5.256 3.370 1.00 0.00 O ATOM 520 CB ILE A 836 9.164 -2.737 5.339 1.00 0.00 C ATOM 521 CG1 ILE A 836 9.588 -1.267 5.335 1.00 0.00 C ATOM 522 CG2 ILE A 836 10.378 -3.644 5.196 1.00 0.00 C ATOM 523 CD1 ILE A 836 10.217 -0.816 6.635 1.00 0.00 C ATOM 0 H ILE A 836 6.937 -1.603 5.172 1.00 0.00 H new ATOM 0 HA ILE A 836 8.637 -2.802 3.248 1.00 0.00 H new ATOM 0 HB ILE A 836 8.682 -2.955 6.292 1.00 0.00 H new ATOM 0 HG12 ILE A 836 10.296 -1.104 4.522 1.00 0.00 H new ATOM 0 HG13 ILE A 836 8.716 -0.646 5.128 1.00 0.00 H new ATOM 0 HG21 ILE A 836 11.080 -3.442 6.005 1.00 0.00 H new ATOM 0 HG22 ILE A 836 10.061 -4.686 5.242 1.00 0.00 H new ATOM 0 HG23 ILE A 836 10.863 -3.455 4.238 1.00 0.00 H new ATOM 0 HD11 ILE A 836 10.493 0.236 6.560 1.00 0.00 H new ATOM 0 HD12 ILE A 836 9.504 -0.947 7.449 1.00 0.00 H new ATOM 0 HD13 ILE A 836 11.108 -1.411 6.834 1.00 0.00 H new ATOM 535 N VAL A 837 6.988 -4.828 5.297 1.00 0.00 N ATOM 536 CA VAL A 837 6.513 -6.197 5.463 1.00 0.00 C ATOM 537 C VAL A 837 5.722 -6.655 4.242 1.00 0.00 C ATOM 538 O VAL A 837 5.862 -7.791 3.790 1.00 0.00 O ATOM 539 CB VAL A 837 5.629 -6.337 6.716 1.00 0.00 C ATOM 540 CG1 VAL A 837 4.989 -7.715 6.767 1.00 0.00 C ATOM 541 CG2 VAL A 837 6.443 -6.071 7.974 1.00 0.00 C ATOM 0 H VAL A 837 6.701 -4.189 6.039 1.00 0.00 H new ATOM 0 HA VAL A 837 7.395 -6.827 5.579 1.00 0.00 H new ATOM 0 HB VAL A 837 4.832 -5.595 6.662 1.00 0.00 H new ATOM 0 HG11 VAL A 837 4.368 -7.795 7.659 1.00 0.00 H new ATOM 0 HG12 VAL A 837 4.372 -7.862 5.881 1.00 0.00 H new ATOM 0 HG13 VAL A 837 5.768 -8.477 6.797 1.00 0.00 H new ATOM 0 HG21 VAL A 837 5.803 -6.174 8.850 1.00 0.00 H new ATOM 0 HG22 VAL A 837 7.261 -6.788 8.036 1.00 0.00 H new ATOM 0 HG23 VAL A 837 6.849 -5.060 7.938 1.00 0.00 H new ATOM 551 N ARG A 838 4.890 -5.763 3.714 1.00 0.00 N ATOM 552 CA ARG A 838 4.076 -6.076 2.546 1.00 0.00 C ATOM 553 C ARG A 838 4.951 -6.298 1.317 1.00 0.00 C ATOM 554 O ARG A 838 4.756 -7.257 0.569 1.00 0.00 O ATOM 555 CB ARG A 838 3.077 -4.948 2.278 1.00 0.00 C ATOM 556 CG ARG A 838 1.846 -5.000 3.167 1.00 0.00 C ATOM 557 CD ARG A 838 0.799 -5.955 2.614 1.00 0.00 C ATOM 558 NE ARG A 838 -0.133 -6.401 3.645 1.00 0.00 N ATOM 559 CZ ARG A 838 -1.178 -7.185 3.402 1.00 0.00 C ATOM 560 NH1 ARG A 838 -1.421 -7.607 2.168 1.00 0.00 N ATOM 561 NH2 ARG A 838 -1.981 -7.549 4.393 1.00 0.00 N ATOM 0 H ARG A 838 4.762 -4.818 4.077 1.00 0.00 H new ATOM 0 HA ARG A 838 3.529 -6.996 2.751 1.00 0.00 H new ATOM 0 HB2 ARG A 838 3.577 -3.990 2.420 1.00 0.00 H new ATOM 0 HB3 ARG A 838 2.763 -4.992 1.235 1.00 0.00 H new ATOM 0 HG2 ARG A 838 2.133 -5.315 4.170 1.00 0.00 H new ATOM 0 HG3 ARG A 838 1.418 -4.002 3.257 1.00 0.00 H new ATOM 0 HD2 ARG A 838 0.246 -5.463 1.814 1.00 0.00 H new ATOM 0 HD3 ARG A 838 1.294 -6.821 2.174 1.00 0.00 H new ATOM 0 HE ARG A 838 0.027 -6.094 4.605 1.00 0.00 H new ATOM 0 HH11 ARG A 838 -0.805 -7.330 1.404 1.00 0.00 H new ATOM 0 HH12 ARG A 838 -2.224 -8.209 1.984 1.00 0.00 H new ATOM 0 HH21 ARG A 838 -1.797 -7.227 5.343 1.00 0.00 H new ATOM 0 HH22 ARG A 838 -2.783 -8.151 4.205 1.00 0.00 H new ATOM 575 N ILE A 839 5.915 -5.407 1.114 1.00 0.00 N ATOM 576 CA ILE A 839 6.820 -5.506 -0.024 1.00 0.00 C ATOM 577 C ILE A 839 7.715 -6.736 0.091 1.00 0.00 C ATOM 578 O ILE A 839 7.675 -7.626 -0.757 1.00 0.00 O ATOM 579 CB ILE A 839 7.704 -4.252 -0.152 1.00 0.00 C ATOM 580 CG1 ILE A 839 6.839 -3.014 -0.400 1.00 0.00 C ATOM 581 CG2 ILE A 839 8.718 -4.430 -1.273 1.00 0.00 C ATOM 582 CD1 ILE A 839 7.456 -1.733 0.114 1.00 0.00 C ATOM 0 H ILE A 839 6.090 -4.608 1.723 1.00 0.00 H new ATOM 0 HA ILE A 839 6.198 -5.594 -0.915 1.00 0.00 H new ATOM 0 HB ILE A 839 8.246 -4.111 0.783 1.00 0.00 H new ATOM 0 HG12 ILE A 839 6.657 -2.916 -1.470 1.00 0.00 H new ATOM 0 HG13 ILE A 839 5.869 -3.157 0.076 1.00 0.00 H new ATOM 0 HG21 ILE A 839 9.335 -3.535 -1.351 1.00 0.00 H new ATOM 0 HG22 ILE A 839 9.352 -5.290 -1.057 1.00 0.00 H new ATOM 0 HG23 ILE A 839 8.194 -4.592 -2.215 1.00 0.00 H new ATOM 0 HD11 ILE A 839 6.788 -0.898 -0.096 1.00 0.00 H new ATOM 0 HD12 ILE A 839 7.612 -1.811 1.190 1.00 0.00 H new ATOM 0 HD13 ILE A 839 8.413 -1.566 -0.381 1.00 0.00 H new ATOM 594 N MET A 840 8.521 -6.777 1.147 1.00 0.00 N ATOM 595 CA MET A 840 9.423 -7.900 1.375 1.00 0.00 C ATOM 596 C MET A 840 8.690 -9.228 1.220 1.00 0.00 C ATOM 597 O MET A 840 9.125 -10.107 0.476 1.00 0.00 O ATOM 598 CB MET A 840 10.045 -7.806 2.770 1.00 0.00 C ATOM 599 CG MET A 840 10.770 -6.495 3.026 1.00 0.00 C ATOM 600 SD MET A 840 12.413 -6.454 2.284 1.00 0.00 S ATOM 601 CE MET A 840 13.435 -6.226 3.736 1.00 0.00 C ATOM 0 H MET A 840 8.568 -6.047 1.857 1.00 0.00 H new ATOM 0 HA MET A 840 10.215 -7.855 0.628 1.00 0.00 H new ATOM 0 HB2 MET A 840 9.261 -7.930 3.517 1.00 0.00 H new ATOM 0 HB3 MET A 840 10.745 -8.631 2.903 1.00 0.00 H new ATOM 0 HG2 MET A 840 10.176 -5.672 2.629 1.00 0.00 H new ATOM 0 HG3 MET A 840 10.857 -6.336 4.101 1.00 0.00 H new ATOM 0 HE1 MET A 840 14.102 -5.377 3.582 1.00 0.00 H new ATOM 0 HE2 MET A 840 12.800 -6.037 4.602 1.00 0.00 H new ATOM 0 HE3 MET A 840 14.026 -7.125 3.910 1.00 0.00 H new ATOM 611 N LYS A 841 7.574 -9.368 1.927 1.00 0.00 N ATOM 612 CA LYS A 841 6.778 -10.589 1.869 1.00 0.00 C ATOM 613 C LYS A 841 6.533 -11.009 0.423 1.00 0.00 C ATOM 614 O LYS A 841 6.947 -12.089 0.002 1.00 0.00 O ATOM 615 CB LYS A 841 5.442 -10.386 2.585 1.00 0.00 C ATOM 616 CG LYS A 841 4.583 -11.638 2.637 1.00 0.00 C ATOM 617 CD LYS A 841 3.259 -11.378 3.337 1.00 0.00 C ATOM 618 CE LYS A 841 2.209 -10.859 2.367 1.00 0.00 C ATOM 619 NZ LYS A 841 0.838 -10.930 2.944 1.00 0.00 N ATOM 0 H LYS A 841 7.200 -8.650 2.548 1.00 0.00 H new ATOM 0 HA LYS A 841 7.335 -11.381 2.370 1.00 0.00 H new ATOM 0 HB2 LYS A 841 5.633 -10.044 3.602 1.00 0.00 H new ATOM 0 HB3 LYS A 841 4.886 -9.595 2.082 1.00 0.00 H new ATOM 0 HG2 LYS A 841 4.396 -11.994 1.624 1.00 0.00 H new ATOM 0 HG3 LYS A 841 5.122 -12.429 3.159 1.00 0.00 H new ATOM 0 HD2 LYS A 841 2.904 -12.298 3.801 1.00 0.00 H new ATOM 0 HD3 LYS A 841 3.406 -10.654 4.138 1.00 0.00 H new ATOM 0 HE2 LYS A 841 2.438 -9.827 2.101 1.00 0.00 H new ATOM 0 HE3 LYS A 841 2.246 -11.441 1.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 0.151 -10.567 2.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 0.609 -11.918 3.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 0.795 -10.354 3.809 1.00 0.00 H new ATOM 633 N MET A 842 5.860 -10.148 -0.333 1.00 0.00 N ATOM 634 CA MET A 842 5.563 -10.430 -1.733 1.00 0.00 C ATOM 635 C MET A 842 6.829 -10.819 -2.489 1.00 0.00 C ATOM 636 O MET A 842 6.797 -11.678 -3.370 1.00 0.00 O ATOM 637 CB MET A 842 4.913 -9.213 -2.394 1.00 0.00 C ATOM 638 CG MET A 842 3.518 -8.910 -1.871 1.00 0.00 C ATOM 639 SD MET A 842 2.248 -9.923 -2.655 1.00 0.00 S ATOM 640 CE MET A 842 2.199 -9.198 -4.292 1.00 0.00 C ATOM 0 H MET A 842 5.510 -9.250 -0.000 1.00 0.00 H new ATOM 0 HA MET A 842 4.867 -11.268 -1.770 1.00 0.00 H new ATOM 0 HB2 MET A 842 5.548 -8.342 -2.236 1.00 0.00 H new ATOM 0 HB3 MET A 842 4.861 -9.379 -3.470 1.00 0.00 H new ATOM 0 HG2 MET A 842 3.494 -9.074 -0.794 1.00 0.00 H new ATOM 0 HG3 MET A 842 3.292 -7.857 -2.038 1.00 0.00 H new ATOM 0 HE1 MET A 842 1.255 -9.452 -4.774 1.00 0.00 H new ATOM 0 HE2 MET A 842 2.286 -8.114 -4.213 1.00 0.00 H new ATOM 0 HE3 MET A 842 3.026 -9.586 -4.887 1.00 0.00 H new ATOM 650 N ARG A 843 7.941 -10.180 -2.140 1.00 0.00 N ATOM 651 CA ARG A 843 9.217 -10.459 -2.788 1.00 0.00 C ATOM 652 C ARG A 843 10.083 -11.365 -1.917 1.00 0.00 C ATOM 653 O ARG A 843 10.814 -10.893 -1.046 1.00 0.00 O ATOM 654 CB ARG A 843 9.960 -9.154 -3.082 1.00 0.00 C ATOM 655 CG ARG A 843 9.071 -8.064 -3.658 1.00 0.00 C ATOM 656 CD ARG A 843 8.401 -8.514 -4.946 1.00 0.00 C ATOM 657 NE ARG A 843 7.426 -7.539 -5.426 1.00 0.00 N ATOM 658 CZ ARG A 843 6.837 -7.612 -6.615 1.00 0.00 C ATOM 659 NH1 ARG A 843 7.122 -8.610 -7.439 1.00 0.00 N ATOM 660 NH2 ARG A 843 5.960 -6.686 -6.980 1.00 0.00 N ATOM 0 H ARG A 843 7.984 -9.466 -1.413 1.00 0.00 H new ATOM 0 HA ARG A 843 9.014 -10.973 -3.727 1.00 0.00 H new ATOM 0 HB2 ARG A 843 10.416 -8.790 -2.161 1.00 0.00 H new ATOM 0 HB3 ARG A 843 10.771 -9.357 -3.781 1.00 0.00 H new ATOM 0 HG2 ARG A 843 8.310 -7.790 -2.927 1.00 0.00 H new ATOM 0 HG3 ARG A 843 9.666 -7.171 -3.849 1.00 0.00 H new ATOM 0 HD2 ARG A 843 9.160 -8.675 -5.712 1.00 0.00 H new ATOM 0 HD3 ARG A 843 7.906 -9.471 -4.782 1.00 0.00 H new ATOM 0 HE ARG A 843 7.184 -6.759 -4.815 1.00 0.00 H new ATOM 0 HH11 ARG A 843 7.795 -9.324 -7.161 1.00 0.00 H new ATOM 0 HH12 ARG A 843 6.668 -8.664 -8.351 1.00 0.00 H new ATOM 0 HH21 ARG A 843 5.737 -5.917 -6.348 1.00 0.00 H new ATOM 0 HH22 ARG A 843 5.508 -6.743 -7.893 1.00 0.00 H new ATOM 674 N LYS A 844 9.995 -12.668 -2.158 1.00 0.00 N ATOM 675 CA LYS A 844 10.770 -13.641 -1.397 1.00 0.00 C ATOM 676 C LYS A 844 12.134 -13.074 -1.018 1.00 0.00 C ATOM 677 O LYS A 844 12.578 -13.204 0.123 1.00 0.00 O ATOM 678 CB LYS A 844 10.948 -14.928 -2.207 1.00 0.00 C ATOM 679 CG LYS A 844 9.638 -15.618 -2.547 1.00 0.00 C ATOM 680 CD LYS A 844 9.235 -16.612 -1.471 1.00 0.00 C ATOM 681 CE LYS A 844 9.801 -17.996 -1.751 1.00 0.00 C ATOM 682 NZ LYS A 844 11.229 -18.104 -1.345 1.00 0.00 N ATOM 0 H LYS A 844 9.394 -13.075 -2.875 1.00 0.00 H new ATOM 0 HA LYS A 844 10.223 -13.867 -0.482 1.00 0.00 H new ATOM 0 HB2 LYS A 844 11.477 -14.696 -3.131 1.00 0.00 H new ATOM 0 HB3 LYS A 844 11.577 -15.618 -1.644 1.00 0.00 H new ATOM 0 HG2 LYS A 844 8.853 -14.871 -2.666 1.00 0.00 H new ATOM 0 HG3 LYS A 844 9.735 -16.134 -3.502 1.00 0.00 H new ATOM 0 HD2 LYS A 844 9.588 -16.263 -0.501 1.00 0.00 H new ATOM 0 HD3 LYS A 844 8.148 -16.667 -1.414 1.00 0.00 H new ATOM 0 HE2 LYS A 844 9.214 -18.743 -1.217 1.00 0.00 H new ATOM 0 HE3 LYS A 844 9.708 -18.218 -2.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 844 11.473 -19.104 -1.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 844 11.833 -17.708 -2.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 844 11.380 -17.575 -0.462 1.00 0.00 H new ATOM 696 N THR A 845 12.796 -12.442 -1.982 1.00 0.00 N ATOM 697 CA THR A 845 14.109 -11.854 -1.750 1.00 0.00 C ATOM 698 C THR A 845 14.250 -10.519 -2.473 1.00 0.00 C ATOM 699 O THR A 845 14.184 -10.457 -3.701 1.00 0.00 O ATOM 700 CB THR A 845 15.236 -12.797 -2.212 1.00 0.00 C ATOM 701 OG1 THR A 845 15.068 -14.089 -1.618 1.00 0.00 O ATOM 702 CG2 THR A 845 16.599 -12.234 -1.837 1.00 0.00 C ATOM 0 H THR A 845 12.444 -12.324 -2.932 1.00 0.00 H new ATOM 0 HA THR A 845 14.198 -11.693 -0.676 1.00 0.00 H new ATOM 0 HB THR A 845 15.183 -12.887 -3.297 1.00 0.00 H new ATOM 0 HG1 THR A 845 15.804 -14.261 -0.994 1.00 0.00 H new ATOM 0 HG21 THR A 845 17.380 -12.917 -2.173 1.00 0.00 H new ATOM 0 HG22 THR A 845 16.736 -11.263 -2.314 1.00 0.00 H new ATOM 0 HG23 THR A 845 16.660 -12.118 -0.755 1.00 0.00 H new ATOM 710 N LEU A 846 14.445 -9.453 -1.705 1.00 0.00 N ATOM 711 CA LEU A 846 14.596 -8.118 -2.273 1.00 0.00 C ATOM 712 C LEU A 846 15.826 -7.419 -1.701 1.00 0.00 C ATOM 713 O LEU A 846 16.251 -7.706 -0.582 1.00 0.00 O ATOM 714 CB LEU A 846 13.346 -7.281 -1.998 1.00 0.00 C ATOM 715 CG LEU A 846 13.012 -6.212 -3.040 1.00 0.00 C ATOM 716 CD1 LEU A 846 12.591 -6.858 -4.350 1.00 0.00 C ATOM 717 CD2 LEU A 846 11.919 -5.288 -2.523 1.00 0.00 C ATOM 0 H LEU A 846 14.502 -9.487 -0.687 1.00 0.00 H new ATOM 0 HA LEU A 846 14.727 -8.221 -3.350 1.00 0.00 H new ATOM 0 HB2 LEU A 846 12.494 -7.955 -1.912 1.00 0.00 H new ATOM 0 HB3 LEU A 846 13.465 -6.793 -1.031 1.00 0.00 H new ATOM 0 HG LEU A 846 13.907 -5.617 -3.223 1.00 0.00 H new ATOM 0 HD11 LEU A 846 12.357 -6.083 -5.079 1.00 0.00 H new ATOM 0 HD12 LEU A 846 13.404 -7.478 -4.728 1.00 0.00 H new ATOM 0 HD13 LEU A 846 11.710 -7.477 -4.184 1.00 0.00 H new ATOM 0 HD21 LEU A 846 11.694 -4.534 -3.277 1.00 0.00 H new ATOM 0 HD22 LEU A 846 11.021 -5.869 -2.311 1.00 0.00 H new ATOM 0 HD23 LEU A 846 12.258 -4.799 -1.610 1.00 0.00 H new ATOM 729 N SER A 847 16.391 -6.500 -2.476 1.00 0.00 N ATOM 730 CA SER A 847 17.573 -5.761 -2.048 1.00 0.00 C ATOM 731 C SER A 847 17.183 -4.419 -1.436 1.00 0.00 C ATOM 732 O SER A 847 16.005 -4.062 -1.394 1.00 0.00 O ATOM 733 CB SER A 847 18.518 -5.539 -3.230 1.00 0.00 C ATOM 734 OG SER A 847 19.274 -6.706 -3.505 1.00 0.00 O ATOM 0 H SER A 847 16.050 -6.249 -3.404 1.00 0.00 H new ATOM 0 HA SER A 847 18.085 -6.352 -1.289 1.00 0.00 H new ATOM 0 HB2 SER A 847 17.942 -5.259 -4.112 1.00 0.00 H new ATOM 0 HB3 SER A 847 19.190 -4.709 -3.011 1.00 0.00 H new ATOM 0 HG SER A 847 19.869 -6.539 -4.266 1.00 0.00 H new ATOM 740 N HIS A 848 18.180 -3.679 -0.961 1.00 0.00 N ATOM 741 CA HIS A 848 17.942 -2.376 -0.351 1.00 0.00 C ATOM 742 C HIS A 848 17.318 -1.412 -1.356 1.00 0.00 C ATOM 743 O HIS A 848 16.260 -0.838 -1.104 1.00 0.00 O ATOM 744 CB HIS A 848 19.250 -1.795 0.187 1.00 0.00 C ATOM 745 CG HIS A 848 19.063 -0.550 0.999 1.00 0.00 C ATOM 746 ND1 HIS A 848 18.994 -0.553 2.376 1.00 0.00 N ATOM 747 CD2 HIS A 848 18.932 0.743 0.620 1.00 0.00 C ATOM 748 CE1 HIS A 848 18.827 0.684 2.809 1.00 0.00 C ATOM 749 NE2 HIS A 848 18.787 1.490 1.763 1.00 0.00 N ATOM 0 H HIS A 848 19.160 -3.960 -0.987 1.00 0.00 H new ATOM 0 HA HIS A 848 17.246 -2.511 0.477 1.00 0.00 H new ATOM 0 HB2 HIS A 848 19.747 -2.547 0.799 1.00 0.00 H new ATOM 0 HB3 HIS A 848 19.913 -1.577 -0.650 1.00 0.00 H new ATOM 0 HD2 HIS A 848 18.940 1.117 -0.393 1.00 0.00 H new ATOM 0 HE1 HIS A 848 18.738 0.985 3.842 1.00 0.00 H new ATOM 0 HE2 HIS A 848 18.668 2.502 1.799 1.00 0.00 H new ATOM 757 N ASN A 849 17.982 -1.239 -2.494 1.00 0.00 N ATOM 758 CA ASN A 849 17.493 -0.343 -3.536 1.00 0.00 C ATOM 759 C ASN A 849 16.046 -0.665 -3.895 1.00 0.00 C ATOM 760 O ASN A 849 15.179 0.209 -3.869 1.00 0.00 O ATOM 761 CB ASN A 849 18.375 -0.447 -4.782 1.00 0.00 C ATOM 762 CG ASN A 849 18.978 -1.828 -4.950 1.00 0.00 C ATOM 763 OD1 ASN A 849 18.408 -2.824 -4.505 1.00 0.00 O ATOM 764 ND2 ASN A 849 20.137 -1.893 -5.595 1.00 0.00 N ATOM 0 H ASN A 849 18.860 -1.707 -2.718 1.00 0.00 H new ATOM 0 HA ASN A 849 17.535 0.677 -3.153 1.00 0.00 H new ATOM 0 HB2 ASN A 849 17.783 -0.202 -5.664 1.00 0.00 H new ATOM 0 HB3 ASN A 849 19.175 0.291 -4.720 1.00 0.00 H new ATOM 0 HD21 ASN A 849 20.591 -2.795 -5.739 1.00 0.00 H new ATOM 0 HD22 ASN A 849 20.573 -1.041 -5.947 1.00 0.00 H new ATOM 771 N LEU A 850 15.792 -1.926 -4.230 1.00 0.00 N ATOM 772 CA LEU A 850 14.450 -2.365 -4.594 1.00 0.00 C ATOM 773 C LEU A 850 13.465 -2.106 -3.458 1.00 0.00 C ATOM 774 O LEU A 850 12.294 -1.804 -3.693 1.00 0.00 O ATOM 775 CB LEU A 850 14.457 -3.852 -4.949 1.00 0.00 C ATOM 776 CG LEU A 850 14.717 -4.191 -6.417 1.00 0.00 C ATOM 777 CD1 LEU A 850 13.704 -3.494 -7.313 1.00 0.00 C ATOM 778 CD2 LEU A 850 16.135 -3.804 -6.811 1.00 0.00 C ATOM 0 H LEU A 850 16.498 -2.662 -4.257 1.00 0.00 H new ATOM 0 HA LEU A 850 14.131 -1.792 -5.464 1.00 0.00 H new ATOM 0 HB2 LEU A 850 15.216 -4.346 -4.343 1.00 0.00 H new ATOM 0 HB3 LEU A 850 13.495 -4.278 -4.664 1.00 0.00 H new ATOM 0 HG LEU A 850 14.606 -5.268 -6.546 1.00 0.00 H new ATOM 0 HD11 LEU A 850 13.904 -3.747 -8.354 1.00 0.00 H new ATOM 0 HD12 LEU A 850 12.698 -3.820 -7.048 1.00 0.00 H new ATOM 0 HD13 LEU A 850 13.782 -2.415 -7.180 1.00 0.00 H new ATOM 0 HD21 LEU A 850 16.302 -4.053 -7.859 1.00 0.00 H new ATOM 0 HD22 LEU A 850 16.273 -2.733 -6.666 1.00 0.00 H new ATOM 0 HD23 LEU A 850 16.847 -4.349 -6.191 1.00 0.00 H new ATOM 790 N LEU A 851 13.948 -2.225 -2.226 1.00 0.00 N ATOM 791 CA LEU A 851 13.111 -2.002 -1.051 1.00 0.00 C ATOM 792 C LEU A 851 12.768 -0.524 -0.900 1.00 0.00 C ATOM 793 O LEU A 851 11.621 -0.119 -1.090 1.00 0.00 O ATOM 794 CB LEU A 851 13.820 -2.504 0.207 1.00 0.00 C ATOM 795 CG LEU A 851 13.238 -2.031 1.540 1.00 0.00 C ATOM 796 CD1 LEU A 851 11.991 -2.828 1.891 1.00 0.00 C ATOM 797 CD2 LEU A 851 14.276 -2.147 2.646 1.00 0.00 C ATOM 0 H LEU A 851 14.914 -2.474 -2.014 1.00 0.00 H new ATOM 0 HA LEU A 851 12.184 -2.559 -1.185 1.00 0.00 H new ATOM 0 HB2 LEU A 851 13.809 -3.594 0.195 1.00 0.00 H new ATOM 0 HB3 LEU A 851 14.864 -2.195 0.159 1.00 0.00 H new ATOM 0 HG LEU A 851 12.958 -0.982 1.441 1.00 0.00 H new ATOM 0 HD11 LEU A 851 11.591 -2.477 2.842 1.00 0.00 H new ATOM 0 HD12 LEU A 851 11.242 -2.694 1.111 1.00 0.00 H new ATOM 0 HD13 LEU A 851 12.245 -3.885 1.972 1.00 0.00 H new ATOM 0 HD21 LEU A 851 13.845 -1.806 3.587 1.00 0.00 H new ATOM 0 HD22 LEU A 851 14.587 -3.187 2.745 1.00 0.00 H new ATOM 0 HD23 LEU A 851 15.141 -1.531 2.399 1.00 0.00 H new ATOM 809 N VAL A 852 13.771 0.279 -0.559 1.00 0.00 N ATOM 810 CA VAL A 852 13.577 1.714 -0.386 1.00 0.00 C ATOM 811 C VAL A 852 12.729 2.294 -1.512 1.00 0.00 C ATOM 812 O VAL A 852 11.907 3.183 -1.290 1.00 0.00 O ATOM 813 CB VAL A 852 14.923 2.460 -0.334 1.00 0.00 C ATOM 814 CG1 VAL A 852 15.782 1.934 0.806 1.00 0.00 C ATOM 815 CG2 VAL A 852 15.652 2.336 -1.663 1.00 0.00 C ATOM 0 H VAL A 852 14.726 -0.040 -0.397 1.00 0.00 H new ATOM 0 HA VAL A 852 13.058 1.851 0.563 1.00 0.00 H new ATOM 0 HB VAL A 852 14.726 3.516 -0.151 1.00 0.00 H new ATOM 0 HG11 VAL A 852 16.729 2.473 0.827 1.00 0.00 H new ATOM 0 HG12 VAL A 852 15.260 2.080 1.752 1.00 0.00 H new ATOM 0 HG13 VAL A 852 15.973 0.871 0.657 1.00 0.00 H new ATOM 0 HG21 VAL A 852 16.601 2.869 -1.608 1.00 0.00 H new ATOM 0 HG22 VAL A 852 15.838 1.284 -1.879 1.00 0.00 H new ATOM 0 HG23 VAL A 852 15.039 2.766 -2.455 1.00 0.00 H new ATOM 825 N SER A 853 12.935 1.784 -2.722 1.00 0.00 N ATOM 826 CA SER A 853 12.191 2.254 -3.886 1.00 0.00 C ATOM 827 C SER A 853 10.709 1.920 -3.754 1.00 0.00 C ATOM 828 O SER A 853 9.854 2.802 -3.832 1.00 0.00 O ATOM 829 CB SER A 853 12.755 1.629 -5.164 1.00 0.00 C ATOM 830 OG SER A 853 12.068 2.103 -6.309 1.00 0.00 O ATOM 0 H SER A 853 13.610 1.046 -2.922 1.00 0.00 H new ATOM 0 HA SER A 853 12.298 3.337 -3.942 1.00 0.00 H new ATOM 0 HB2 SER A 853 13.816 1.863 -5.250 1.00 0.00 H new ATOM 0 HB3 SER A 853 12.672 0.544 -5.109 1.00 0.00 H new ATOM 0 HG SER A 853 12.448 1.690 -7.113 1.00 0.00 H new ATOM 836 N GLU A 854 10.412 0.640 -3.555 1.00 0.00 N ATOM 837 CA GLU A 854 9.032 0.189 -3.413 1.00 0.00 C ATOM 838 C GLU A 854 8.330 0.933 -2.281 1.00 0.00 C ATOM 839 O GLU A 854 7.266 1.521 -2.475 1.00 0.00 O ATOM 840 CB GLU A 854 8.989 -1.318 -3.152 1.00 0.00 C ATOM 841 CG GLU A 854 9.320 -2.157 -4.375 1.00 0.00 C ATOM 842 CD GLU A 854 8.102 -2.442 -5.233 1.00 0.00 C ATOM 843 OE1 GLU A 854 7.502 -1.476 -5.749 1.00 0.00 O ATOM 844 OE2 GLU A 854 7.750 -3.630 -5.389 1.00 0.00 O ATOM 0 H GLU A 854 11.108 -0.103 -3.488 1.00 0.00 H new ATOM 0 HA GLU A 854 8.509 0.404 -4.345 1.00 0.00 H new ATOM 0 HB2 GLU A 854 9.691 -1.560 -2.355 1.00 0.00 H new ATOM 0 HB3 GLU A 854 7.995 -1.588 -2.794 1.00 0.00 H new ATOM 0 HG2 GLU A 854 10.069 -1.640 -4.974 1.00 0.00 H new ATOM 0 HG3 GLU A 854 9.763 -3.100 -4.055 1.00 0.00 H new ATOM 851 N VAL A 855 8.934 0.902 -1.097 1.00 0.00 N ATOM 852 CA VAL A 855 8.368 1.573 0.067 1.00 0.00 C ATOM 853 C VAL A 855 7.942 2.997 -0.272 1.00 0.00 C ATOM 854 O VAL A 855 6.794 3.382 -0.050 1.00 0.00 O ATOM 855 CB VAL A 855 9.372 1.613 1.235 1.00 0.00 C ATOM 856 CG1 VAL A 855 8.909 2.591 2.304 1.00 0.00 C ATOM 857 CG2 VAL A 855 9.564 0.222 1.820 1.00 0.00 C ATOM 0 H VAL A 855 9.815 0.420 -0.919 1.00 0.00 H new ATOM 0 HA VAL A 855 7.493 0.998 0.369 1.00 0.00 H new ATOM 0 HB VAL A 855 10.333 1.958 0.854 1.00 0.00 H new ATOM 0 HG11 VAL A 855 9.631 2.606 3.121 1.00 0.00 H new ATOM 0 HG12 VAL A 855 8.828 3.589 1.873 1.00 0.00 H new ATOM 0 HG13 VAL A 855 7.936 2.280 2.685 1.00 0.00 H new ATOM 0 HG21 VAL A 855 10.276 0.269 2.644 1.00 0.00 H new ATOM 0 HG22 VAL A 855 8.609 -0.153 2.187 1.00 0.00 H new ATOM 0 HG23 VAL A 855 9.945 -0.448 1.049 1.00 0.00 H new ATOM 867 N TYR A 856 8.875 3.774 -0.811 1.00 0.00 N ATOM 868 CA TYR A 856 8.597 5.157 -1.180 1.00 0.00 C ATOM 869 C TYR A 856 7.350 5.248 -2.054 1.00 0.00 C ATOM 870 O TYR A 856 6.496 6.109 -1.847 1.00 0.00 O ATOM 871 CB TYR A 856 9.795 5.761 -1.916 1.00 0.00 C ATOM 872 CG TYR A 856 10.943 6.129 -1.004 1.00 0.00 C ATOM 873 CD1 TYR A 856 10.723 6.824 0.179 1.00 0.00 C ATOM 874 CD2 TYR A 856 12.250 5.780 -1.325 1.00 0.00 C ATOM 875 CE1 TYR A 856 11.769 7.162 1.014 1.00 0.00 C ATOM 876 CE2 TYR A 856 13.302 6.114 -0.495 1.00 0.00 C ATOM 877 CZ TYR A 856 13.057 6.805 0.673 1.00 0.00 C ATOM 878 OH TYR A 856 14.102 7.139 1.503 1.00 0.00 O ATOM 0 H TYR A 856 9.830 3.470 -1.002 1.00 0.00 H new ATOM 0 HA TYR A 856 8.419 5.722 -0.265 1.00 0.00 H new ATOM 0 HB2 TYR A 856 10.149 5.050 -2.662 1.00 0.00 H new ATOM 0 HB3 TYR A 856 9.469 6.651 -2.454 1.00 0.00 H new ATOM 0 HD1 TYR A 856 9.716 7.105 0.450 1.00 0.00 H new ATOM 0 HD2 TYR A 856 12.446 5.239 -2.239 1.00 0.00 H new ATOM 0 HE1 TYR A 856 11.580 7.703 1.929 1.00 0.00 H new ATOM 0 HE2 TYR A 856 14.311 5.835 -0.759 1.00 0.00 H new ATOM 0 HH TYR A 856 14.942 6.813 1.118 1.00 0.00 H new ATOM 888 N ASN A 857 7.254 4.353 -3.031 1.00 0.00 N ATOM 889 CA ASN A 857 6.111 4.331 -3.937 1.00 0.00 C ATOM 890 C ASN A 857 4.811 4.115 -3.169 1.00 0.00 C ATOM 891 O ASN A 857 3.761 4.629 -3.552 1.00 0.00 O ATOM 892 CB ASN A 857 6.286 3.229 -4.985 1.00 0.00 C ATOM 893 CG ASN A 857 5.189 3.247 -6.031 1.00 0.00 C ATOM 894 OD1 ASN A 857 5.213 4.055 -6.959 1.00 0.00 O ATOM 895 ND2 ASN A 857 4.218 2.352 -5.885 1.00 0.00 N ATOM 0 H ASN A 857 7.953 3.634 -3.216 1.00 0.00 H new ATOM 0 HA ASN A 857 6.059 5.297 -4.439 1.00 0.00 H new ATOM 0 HB2 ASN A 857 7.253 3.347 -5.474 1.00 0.00 H new ATOM 0 HB3 ASN A 857 6.296 2.258 -4.489 1.00 0.00 H new ATOM 0 HD21 ASN A 857 3.452 2.316 -6.558 1.00 0.00 H new ATOM 0 HD22 ASN A 857 4.238 1.701 -5.100 1.00 0.00 H new ATOM 902 N GLN A 858 4.891 3.352 -2.084 1.00 0.00 N ATOM 903 CA GLN A 858 3.721 3.069 -1.261 1.00 0.00 C ATOM 904 C GLN A 858 3.419 4.233 -0.324 1.00 0.00 C ATOM 905 O GLN A 858 2.284 4.408 0.121 1.00 0.00 O ATOM 906 CB GLN A 858 3.937 1.789 -0.452 1.00 0.00 C ATOM 907 CG GLN A 858 4.103 0.546 -1.311 1.00 0.00 C ATOM 908 CD GLN A 858 2.777 -0.017 -1.784 1.00 0.00 C ATOM 909 OE1 GLN A 858 1.715 0.530 -1.487 1.00 0.00 O ATOM 910 NE2 GLN A 858 2.832 -1.118 -2.525 1.00 0.00 N ATOM 0 H GLN A 858 5.754 2.919 -1.754 1.00 0.00 H new ATOM 0 HA GLN A 858 2.867 2.931 -1.924 1.00 0.00 H new ATOM 0 HB2 GLN A 858 4.822 1.909 0.173 1.00 0.00 H new ATOM 0 HB3 GLN A 858 3.090 1.646 0.219 1.00 0.00 H new ATOM 0 HG2 GLN A 858 4.721 0.787 -2.176 1.00 0.00 H new ATOM 0 HG3 GLN A 858 4.635 -0.216 -0.742 1.00 0.00 H new ATOM 0 HE21 GLN A 858 3.734 -1.538 -2.747 1.00 0.00 H new ATOM 0 HE22 GLN A 858 1.972 -1.543 -2.872 1.00 0.00 H new ATOM 919 N LEU A 859 4.443 5.026 -0.026 1.00 0.00 N ATOM 920 CA LEU A 859 4.288 6.175 0.860 1.00 0.00 C ATOM 921 C LEU A 859 4.303 7.479 0.069 1.00 0.00 C ATOM 922 O LEU A 859 5.296 7.815 -0.576 1.00 0.00 O ATOM 923 CB LEU A 859 5.401 6.188 1.909 1.00 0.00 C ATOM 924 CG LEU A 859 5.650 4.869 2.641 1.00 0.00 C ATOM 925 CD1 LEU A 859 6.438 5.108 3.919 1.00 0.00 C ATOM 926 CD2 LEU A 859 4.333 4.172 2.947 1.00 0.00 C ATOM 0 H LEU A 859 5.389 4.895 -0.385 1.00 0.00 H new ATOM 0 HA LEU A 859 3.325 6.088 1.362 1.00 0.00 H new ATOM 0 HB2 LEU A 859 6.328 6.491 1.422 1.00 0.00 H new ATOM 0 HB3 LEU A 859 5.166 6.952 2.650 1.00 0.00 H new ATOM 0 HG LEU A 859 6.239 4.221 1.992 1.00 0.00 H new ATOM 0 HD11 LEU A 859 6.605 4.158 4.426 1.00 0.00 H new ATOM 0 HD12 LEU A 859 7.398 5.563 3.675 1.00 0.00 H new ATOM 0 HD13 LEU A 859 5.876 5.775 4.573 1.00 0.00 H new ATOM 0 HD21 LEU A 859 4.530 3.235 3.468 1.00 0.00 H new ATOM 0 HD22 LEU A 859 3.719 4.815 3.577 1.00 0.00 H new ATOM 0 HD23 LEU A 859 3.806 3.965 2.016 1.00 0.00 H new ATOM 938 N LYS A 860 3.195 8.211 0.124 1.00 0.00 N ATOM 939 CA LYS A 860 3.081 9.480 -0.583 1.00 0.00 C ATOM 940 C LYS A 860 3.753 10.603 0.200 1.00 0.00 C ATOM 941 O LYS A 860 3.580 11.781 -0.112 1.00 0.00 O ATOM 942 CB LYS A 860 1.608 9.823 -0.823 1.00 0.00 C ATOM 943 CG LYS A 860 1.025 9.164 -2.061 1.00 0.00 C ATOM 944 CD LYS A 860 -0.235 9.873 -2.529 1.00 0.00 C ATOM 945 CE LYS A 860 -1.436 9.495 -1.676 1.00 0.00 C ATOM 946 NZ LYS A 860 -2.707 9.551 -2.450 1.00 0.00 N ATOM 0 H LYS A 860 2.363 7.946 0.651 1.00 0.00 H new ATOM 0 HA LYS A 860 3.586 9.378 -1.543 1.00 0.00 H new ATOM 0 HB2 LYS A 860 1.026 9.520 0.048 1.00 0.00 H new ATOM 0 HB3 LYS A 860 1.505 10.904 -0.915 1.00 0.00 H new ATOM 0 HG2 LYS A 860 1.766 9.170 -2.861 1.00 0.00 H new ATOM 0 HG3 LYS A 860 0.798 8.120 -1.846 1.00 0.00 H new ATOM 0 HD2 LYS A 860 -0.083 10.952 -2.488 1.00 0.00 H new ATOM 0 HD3 LYS A 860 -0.432 9.618 -3.570 1.00 0.00 H new ATOM 0 HE2 LYS A 860 -1.297 8.490 -1.279 1.00 0.00 H new ATOM 0 HE3 LYS A 860 -1.501 10.169 -0.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 860 -3.501 9.287 -1.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 860 -2.853 10.516 -2.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 860 -2.655 8.889 -3.251 1.00 0.00 H new ATOM 960 N PHE A 861 4.522 10.230 1.218 1.00 0.00 N ATOM 961 CA PHE A 861 5.222 11.206 2.045 1.00 0.00 C ATOM 962 C PHE A 861 6.690 10.824 2.213 1.00 0.00 C ATOM 963 O PHE A 861 7.049 9.648 2.272 1.00 0.00 O ATOM 964 CB PHE A 861 4.552 11.316 3.417 1.00 0.00 C ATOM 965 CG PHE A 861 4.848 10.155 4.323 1.00 0.00 C ATOM 966 CD1 PHE A 861 4.296 8.909 4.077 1.00 0.00 C ATOM 967 CD2 PHE A 861 5.679 10.311 5.421 1.00 0.00 C ATOM 968 CE1 PHE A 861 4.566 7.839 4.910 1.00 0.00 C ATOM 969 CE2 PHE A 861 5.953 9.245 6.258 1.00 0.00 C ATOM 970 CZ PHE A 861 5.396 8.008 6.001 1.00 0.00 C ATOM 0 H PHE A 861 4.676 9.259 1.490 1.00 0.00 H new ATOM 0 HA PHE A 861 5.172 12.173 1.544 1.00 0.00 H new ATOM 0 HB2 PHE A 861 4.880 12.236 3.900 1.00 0.00 H new ATOM 0 HB3 PHE A 861 3.473 11.394 3.281 1.00 0.00 H new ATOM 0 HD1 PHE A 861 3.647 8.771 3.225 1.00 0.00 H new ATOM 0 HD2 PHE A 861 6.118 11.276 5.625 1.00 0.00 H new ATOM 0 HE1 PHE A 861 4.129 6.872 4.708 1.00 0.00 H new ATOM 0 HE2 PHE A 861 6.601 9.380 7.111 1.00 0.00 H new ATOM 0 HZ PHE A 861 5.609 7.173 6.652 1.00 0.00 H new ATOM 980 N PRO A 862 7.560 11.842 2.291 1.00 0.00 N ATOM 981 CA PRO A 862 9.003 11.640 2.452 1.00 0.00 C ATOM 982 C PRO A 862 9.361 11.099 3.832 1.00 0.00 C ATOM 983 O PRO A 862 8.899 11.612 4.851 1.00 0.00 O ATOM 984 CB PRO A 862 9.581 13.044 2.261 1.00 0.00 C ATOM 985 CG PRO A 862 8.472 13.965 2.634 1.00 0.00 C ATOM 986 CD PRO A 862 7.202 13.269 2.228 1.00 0.00 C ATOM 0 HA PRO A 862 9.393 10.905 1.748 1.00 0.00 H new ATOM 0 HB2 PRO A 862 10.455 13.201 2.893 1.00 0.00 H new ATOM 0 HB3 PRO A 862 9.899 13.204 1.231 1.00 0.00 H new ATOM 0 HG2 PRO A 862 8.479 14.171 3.704 1.00 0.00 H new ATOM 0 HG3 PRO A 862 8.572 14.923 2.124 1.00 0.00 H new ATOM 0 HD2 PRO A 862 6.380 13.507 2.903 1.00 0.00 H new ATOM 0 HD3 PRO A 862 6.887 13.560 1.226 1.00 0.00 H new ATOM 994 N VAL A 863 10.189 10.059 3.858 1.00 0.00 N ATOM 995 CA VAL A 863 10.611 9.449 5.114 1.00 0.00 C ATOM 996 C VAL A 863 12.087 9.717 5.385 1.00 0.00 C ATOM 997 O VAL A 863 12.894 9.808 4.460 1.00 0.00 O ATOM 998 CB VAL A 863 10.369 7.928 5.108 1.00 0.00 C ATOM 999 CG1 VAL A 863 10.891 7.300 6.392 1.00 0.00 C ATOM 1000 CG2 VAL A 863 8.890 7.625 4.920 1.00 0.00 C ATOM 0 H VAL A 863 10.581 9.621 3.024 1.00 0.00 H new ATOM 0 HA VAL A 863 10.011 9.901 5.904 1.00 0.00 H new ATOM 0 HB VAL A 863 10.915 7.493 4.271 1.00 0.00 H new ATOM 0 HG11 VAL A 863 10.712 6.225 6.370 1.00 0.00 H new ATOM 0 HG12 VAL A 863 11.961 7.488 6.480 1.00 0.00 H new ATOM 0 HG13 VAL A 863 10.375 7.737 7.247 1.00 0.00 H new ATOM 0 HG21 VAL A 863 8.737 6.546 4.918 1.00 0.00 H new ATOM 0 HG22 VAL A 863 8.321 8.071 5.736 1.00 0.00 H new ATOM 0 HG23 VAL A 863 8.551 8.041 3.971 1.00 0.00 H new ATOM 1010 N LYS A 864 12.435 9.841 6.662 1.00 0.00 N ATOM 1011 CA LYS A 864 13.815 10.097 7.058 1.00 0.00 C ATOM 1012 C LYS A 864 14.662 8.836 6.922 1.00 0.00 C ATOM 1013 O LYS A 864 14.159 7.713 6.969 1.00 0.00 O ATOM 1014 CB LYS A 864 13.867 10.606 8.500 1.00 0.00 C ATOM 1015 CG LYS A 864 13.442 12.057 8.648 1.00 0.00 C ATOM 1016 CD LYS A 864 13.708 12.575 10.052 1.00 0.00 C ATOM 1017 CE LYS A 864 12.826 13.769 10.382 1.00 0.00 C ATOM 1018 NZ LYS A 864 11.397 13.377 10.534 1.00 0.00 N ATOM 0 H LYS A 864 11.780 9.768 7.440 1.00 0.00 H new ATOM 0 HA LYS A 864 14.222 10.860 6.395 1.00 0.00 H new ATOM 0 HB2 LYS A 864 13.223 9.982 9.120 1.00 0.00 H new ATOM 0 HB3 LYS A 864 14.882 10.493 8.880 1.00 0.00 H new ATOM 0 HG2 LYS A 864 13.980 12.670 7.925 1.00 0.00 H new ATOM 0 HG3 LYS A 864 12.380 12.151 8.419 1.00 0.00 H new ATOM 0 HD2 LYS A 864 13.529 11.779 10.775 1.00 0.00 H new ATOM 0 HD3 LYS A 864 14.756 12.859 10.144 1.00 0.00 H new ATOM 0 HE2 LYS A 864 13.175 14.235 11.304 1.00 0.00 H new ATOM 0 HE3 LYS A 864 12.916 14.516 9.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 864 10.896 14.100 11.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 864 10.958 13.295 9.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 864 11.338 12.462 11.025 1.00 0.00 H new ATOM 1032 N PRO A 865 15.979 9.022 6.751 1.00 0.00 N ATOM 1033 CA PRO A 865 16.924 7.911 6.607 1.00 0.00 C ATOM 1034 C PRO A 865 17.104 7.131 7.905 1.00 0.00 C ATOM 1035 O PRO A 865 17.288 5.914 7.889 1.00 0.00 O ATOM 1036 CB PRO A 865 18.231 8.605 6.214 1.00 0.00 C ATOM 1037 CG PRO A 865 18.108 9.983 6.765 1.00 0.00 C ATOM 1038 CD PRO A 865 16.648 10.333 6.685 1.00 0.00 C ATOM 0 HA PRO A 865 16.581 7.176 5.879 1.00 0.00 H new ATOM 0 HB2 PRO A 865 19.095 8.088 6.631 1.00 0.00 H new ATOM 0 HB3 PRO A 865 18.361 8.621 5.132 1.00 0.00 H new ATOM 0 HG2 PRO A 865 18.463 10.025 7.795 1.00 0.00 H new ATOM 0 HG3 PRO A 865 18.710 10.688 6.191 1.00 0.00 H new ATOM 0 HD2 PRO A 865 16.344 10.981 7.507 1.00 0.00 H new ATOM 0 HD3 PRO A 865 16.411 10.859 5.760 1.00 0.00 H new ATOM 1046 N ALA A 866 17.050 7.840 9.028 1.00 0.00 N ATOM 1047 CA ALA A 866 17.205 7.213 10.335 1.00 0.00 C ATOM 1048 C ALA A 866 16.036 6.282 10.639 1.00 0.00 C ATOM 1049 O ALA A 866 16.230 5.159 11.106 1.00 0.00 O ATOM 1050 CB ALA A 866 17.331 8.275 11.417 1.00 0.00 C ATOM 0 H ALA A 866 16.900 8.848 9.059 1.00 0.00 H new ATOM 0 HA ALA A 866 18.117 6.616 10.319 1.00 0.00 H new ATOM 0 HB1 ALA A 866 17.446 7.793 12.388 1.00 0.00 H new ATOM 0 HB2 ALA A 866 18.202 8.898 11.215 1.00 0.00 H new ATOM 0 HB3 ALA A 866 16.435 8.896 11.424 1.00 0.00 H new ATOM 1056 N ASP A 867 14.824 6.754 10.371 1.00 0.00 N ATOM 1057 CA ASP A 867 13.624 5.963 10.616 1.00 0.00 C ATOM 1058 C ASP A 867 13.551 4.776 9.661 1.00 0.00 C ATOM 1059 O ASP A 867 13.402 3.630 10.087 1.00 0.00 O ATOM 1060 CB ASP A 867 12.374 6.832 10.465 1.00 0.00 C ATOM 1061 CG ASP A 867 12.359 7.998 11.434 1.00 0.00 C ATOM 1062 OD1 ASP A 867 13.288 8.831 11.373 1.00 0.00 O ATOM 1063 OD2 ASP A 867 11.420 8.077 12.253 1.00 0.00 O ATOM 0 H ASP A 867 14.646 7.681 9.984 1.00 0.00 H new ATOM 0 HA ASP A 867 13.672 5.583 11.637 1.00 0.00 H new ATOM 0 HB2 ASP A 867 12.320 7.211 9.444 1.00 0.00 H new ATOM 0 HB3 ASP A 867 11.487 6.219 10.625 1.00 0.00 H new ATOM 1068 N LEU A 868 13.657 5.057 8.367 1.00 0.00 N ATOM 1069 CA LEU A 868 13.602 4.013 7.350 1.00 0.00 C ATOM 1070 C LEU A 868 14.562 2.876 7.685 1.00 0.00 C ATOM 1071 O LEU A 868 14.142 1.740 7.910 1.00 0.00 O ATOM 1072 CB LEU A 868 13.942 4.594 5.976 1.00 0.00 C ATOM 1073 CG LEU A 868 13.709 3.669 4.780 1.00 0.00 C ATOM 1074 CD1 LEU A 868 12.226 3.383 4.608 1.00 0.00 C ATOM 1075 CD2 LEU A 868 14.288 4.281 3.513 1.00 0.00 C ATOM 0 H LEU A 868 13.782 5.999 7.997 1.00 0.00 H new ATOM 0 HA LEU A 868 12.588 3.614 7.328 1.00 0.00 H new ATOM 0 HB2 LEU A 868 13.352 5.499 5.830 1.00 0.00 H new ATOM 0 HB3 LEU A 868 14.990 4.894 5.980 1.00 0.00 H new ATOM 0 HG LEU A 868 14.220 2.725 4.969 1.00 0.00 H new ATOM 0 HD11 LEU A 868 12.079 2.724 3.753 1.00 0.00 H new ATOM 0 HD12 LEU A 868 11.842 2.902 5.507 1.00 0.00 H new ATOM 0 HD13 LEU A 868 11.692 4.318 4.441 1.00 0.00 H new ATOM 0 HD21 LEU A 868 14.113 3.610 2.672 1.00 0.00 H new ATOM 0 HD22 LEU A 868 13.806 5.239 3.319 1.00 0.00 H new ATOM 0 HD23 LEU A 868 15.360 4.433 3.639 1.00 0.00 H new ATOM 1087 N LYS A 869 15.853 3.188 7.719 1.00 0.00 N ATOM 1088 CA LYS A 869 16.873 2.194 8.031 1.00 0.00 C ATOM 1089 C LYS A 869 16.519 1.431 9.303 1.00 0.00 C ATOM 1090 O LYS A 869 16.521 0.200 9.323 1.00 0.00 O ATOM 1091 CB LYS A 869 18.238 2.867 8.190 1.00 0.00 C ATOM 1092 CG LYS A 869 19.024 2.963 6.894 1.00 0.00 C ATOM 1093 CD LYS A 869 19.784 1.679 6.607 1.00 0.00 C ATOM 1094 CE LYS A 869 21.111 1.638 7.348 1.00 0.00 C ATOM 1095 NZ LYS A 869 22.069 2.652 6.825 1.00 0.00 N ATOM 0 H LYS A 869 16.218 4.122 7.534 1.00 0.00 H new ATOM 0 HA LYS A 869 16.918 1.485 7.204 1.00 0.00 H new ATOM 0 HB2 LYS A 869 18.095 3.870 8.593 1.00 0.00 H new ATOM 0 HB3 LYS A 869 18.825 2.311 8.921 1.00 0.00 H new ATOM 0 HG2 LYS A 869 18.344 3.176 6.070 1.00 0.00 H new ATOM 0 HG3 LYS A 869 19.724 3.796 6.953 1.00 0.00 H new ATOM 0 HD2 LYS A 869 19.176 0.823 6.899 1.00 0.00 H new ATOM 0 HD3 LYS A 869 19.962 1.592 5.535 1.00 0.00 H new ATOM 0 HE2 LYS A 869 20.940 1.814 8.410 1.00 0.00 H new ATOM 0 HE3 LYS A 869 21.548 0.644 7.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 869 23.039 2.378 7.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 869 21.986 2.706 5.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 869 21.852 3.581 7.239 1.00 0.00 H new ATOM 1109 N LYS A 870 16.213 2.170 10.365 1.00 0.00 N ATOM 1110 CA LYS A 870 15.854 1.564 11.641 1.00 0.00 C ATOM 1111 C LYS A 870 14.744 0.533 11.461 1.00 0.00 C ATOM 1112 O LYS A 870 14.828 -0.580 11.980 1.00 0.00 O ATOM 1113 CB LYS A 870 15.408 2.641 12.633 1.00 0.00 C ATOM 1114 CG LYS A 870 16.559 3.305 13.368 1.00 0.00 C ATOM 1115 CD LYS A 870 16.065 4.373 14.330 1.00 0.00 C ATOM 1116 CE LYS A 870 15.547 3.762 15.623 1.00 0.00 C ATOM 1117 NZ LYS A 870 14.592 4.667 16.321 1.00 0.00 N ATOM 0 H LYS A 870 16.207 3.190 10.366 1.00 0.00 H new ATOM 0 HA LYS A 870 16.735 1.058 12.035 1.00 0.00 H new ATOM 0 HB2 LYS A 870 14.841 3.403 12.098 1.00 0.00 H new ATOM 0 HB3 LYS A 870 14.732 2.194 13.362 1.00 0.00 H new ATOM 0 HG2 LYS A 870 17.123 2.552 13.918 1.00 0.00 H new ATOM 0 HG3 LYS A 870 17.243 3.752 12.647 1.00 0.00 H new ATOM 0 HD2 LYS A 870 16.876 5.066 14.553 1.00 0.00 H new ATOM 0 HD3 LYS A 870 15.272 4.952 13.857 1.00 0.00 H new ATOM 0 HE2 LYS A 870 15.055 2.814 15.405 1.00 0.00 H new ATOM 0 HE3 LYS A 870 16.387 3.542 16.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 870 14.262 4.214 17.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 870 15.068 5.562 16.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 870 13.778 4.857 15.702 1.00 0.00 H new ATOM 1131 N ARG A 871 13.706 0.911 10.722 1.00 0.00 N ATOM 1132 CA ARG A 871 12.580 0.019 10.473 1.00 0.00 C ATOM 1133 C ARG A 871 13.054 -1.298 9.865 1.00 0.00 C ATOM 1134 O ARG A 871 12.668 -2.376 10.318 1.00 0.00 O ATOM 1135 CB ARG A 871 11.568 0.688 9.541 1.00 0.00 C ATOM 1136 CG ARG A 871 10.830 1.853 10.180 1.00 0.00 C ATOM 1137 CD ARG A 871 9.652 1.376 11.014 1.00 0.00 C ATOM 1138 NE ARG A 871 10.079 0.816 12.294 1.00 0.00 N ATOM 1139 CZ ARG A 871 10.542 1.550 13.299 1.00 0.00 C ATOM 1140 NH1 ARG A 871 10.637 2.867 13.175 1.00 0.00 N ATOM 1141 NH2 ARG A 871 10.911 0.967 14.433 1.00 0.00 N ATOM 0 H ARG A 871 13.622 1.829 10.285 1.00 0.00 H new ATOM 0 HA ARG A 871 12.099 -0.193 11.428 1.00 0.00 H new ATOM 0 HB2 ARG A 871 12.086 1.042 8.650 1.00 0.00 H new ATOM 0 HB3 ARG A 871 10.842 -0.056 9.213 1.00 0.00 H new ATOM 0 HG2 ARG A 871 11.517 2.419 10.809 1.00 0.00 H new ATOM 0 HG3 ARG A 871 10.476 2.531 9.403 1.00 0.00 H new ATOM 0 HD2 ARG A 871 8.972 2.209 11.192 1.00 0.00 H new ATOM 0 HD3 ARG A 871 9.094 0.623 10.457 1.00 0.00 H new ATOM 0 HE ARG A 871 10.018 -0.194 12.423 1.00 0.00 H new ATOM 0 HH11 ARG A 871 10.354 3.319 12.306 1.00 0.00 H new ATOM 0 HH12 ARG A 871 10.993 3.428 13.949 1.00 0.00 H new ATOM 0 HH21 ARG A 871 10.839 -0.046 14.533 1.00 0.00 H new ATOM 0 HH22 ARG A 871 11.267 1.532 15.205 1.00 0.00 H new ATOM 1155 N ILE A 872 13.892 -1.202 8.839 1.00 0.00 N ATOM 1156 CA ILE A 872 14.419 -2.386 8.170 1.00 0.00 C ATOM 1157 C ILE A 872 15.160 -3.287 9.151 1.00 0.00 C ATOM 1158 O ILE A 872 14.696 -4.378 9.479 1.00 0.00 O ATOM 1159 CB ILE A 872 15.369 -2.006 7.019 1.00 0.00 C ATOM 1160 CG1 ILE A 872 14.659 -1.087 6.024 1.00 0.00 C ATOM 1161 CG2 ILE A 872 15.882 -3.257 6.321 1.00 0.00 C ATOM 1162 CD1 ILE A 872 15.604 -0.350 5.101 1.00 0.00 C ATOM 0 H ILE A 872 14.221 -0.317 8.452 1.00 0.00 H new ATOM 0 HA ILE A 872 13.564 -2.925 7.761 1.00 0.00 H new ATOM 0 HB ILE A 872 16.222 -1.469 7.434 1.00 0.00 H new ATOM 0 HG12 ILE A 872 13.967 -1.679 5.425 1.00 0.00 H new ATOM 0 HG13 ILE A 872 14.062 -0.360 6.575 1.00 0.00 H new ATOM 0 HG21 ILE A 872 16.552 -2.972 5.510 1.00 0.00 H new ATOM 0 HG22 ILE A 872 16.422 -3.878 7.037 1.00 0.00 H new ATOM 0 HG23 ILE A 872 15.040 -3.819 5.916 1.00 0.00 H new ATOM 0 HD11 ILE A 872 15.031 0.283 4.423 1.00 0.00 H new ATOM 0 HD12 ILE A 872 16.280 0.269 5.691 1.00 0.00 H new ATOM 0 HD13 ILE A 872 16.183 -1.070 4.523 1.00 0.00 H new ATOM 1174 N GLU A 873 16.315 -2.822 9.617 1.00 0.00 N ATOM 1175 CA GLU A 873 17.121 -3.586 10.562 1.00 0.00 C ATOM 1176 C GLU A 873 16.234 -4.334 11.553 1.00 0.00 C ATOM 1177 O GLU A 873 16.272 -5.561 11.634 1.00 0.00 O ATOM 1178 CB GLU A 873 18.079 -2.661 11.315 1.00 0.00 C ATOM 1179 CG GLU A 873 19.213 -2.130 10.455 1.00 0.00 C ATOM 1180 CD GLU A 873 20.197 -1.286 11.243 1.00 0.00 C ATOM 1181 OE1 GLU A 873 19.775 -0.251 11.801 1.00 0.00 O ATOM 1182 OE2 GLU A 873 21.387 -1.659 11.301 1.00 0.00 O ATOM 0 H GLU A 873 16.713 -1.920 9.356 1.00 0.00 H new ATOM 0 HA GLU A 873 17.702 -4.316 9.998 1.00 0.00 H new ATOM 0 HB2 GLU A 873 17.516 -1.820 11.719 1.00 0.00 H new ATOM 0 HB3 GLU A 873 18.500 -3.200 12.164 1.00 0.00 H new ATOM 0 HG2 GLU A 873 19.742 -2.967 10.000 1.00 0.00 H new ATOM 0 HG3 GLU A 873 18.799 -1.534 9.642 1.00 0.00 H new ATOM 1189 N SER A 874 15.435 -3.583 12.306 1.00 0.00 N ATOM 1190 CA SER A 874 14.541 -4.173 13.295 1.00 0.00 C ATOM 1191 C SER A 874 13.792 -5.365 12.708 1.00 0.00 C ATOM 1192 O SER A 874 13.969 -6.503 13.147 1.00 0.00 O ATOM 1193 CB SER A 874 13.544 -3.128 13.800 1.00 0.00 C ATOM 1194 OG SER A 874 14.187 -2.161 14.613 1.00 0.00 O ATOM 0 H SER A 874 15.389 -2.566 12.249 1.00 0.00 H new ATOM 0 HA SER A 874 15.145 -4.523 14.132 1.00 0.00 H new ATOM 0 HB2 SER A 874 13.067 -2.636 12.952 1.00 0.00 H new ATOM 0 HB3 SER A 874 12.754 -3.619 14.369 1.00 0.00 H new ATOM 0 HG SER A 874 14.545 -1.444 14.048 1.00 0.00 H new ATOM 1200 N LEU A 875 12.954 -5.097 11.713 1.00 0.00 N ATOM 1201 CA LEU A 875 12.176 -6.147 11.064 1.00 0.00 C ATOM 1202 C LEU A 875 13.026 -7.392 10.835 1.00 0.00 C ATOM 1203 O LEU A 875 12.624 -8.503 11.181 1.00 0.00 O ATOM 1204 CB LEU A 875 11.617 -5.645 9.731 1.00 0.00 C ATOM 1205 CG LEU A 875 10.554 -4.549 9.819 1.00 0.00 C ATOM 1206 CD1 LEU A 875 10.334 -3.908 8.458 1.00 0.00 C ATOM 1207 CD2 LEU A 875 9.249 -5.115 10.362 1.00 0.00 C ATOM 0 H LEU A 875 12.796 -4.162 11.338 1.00 0.00 H new ATOM 0 HA LEU A 875 11.348 -6.411 11.722 1.00 0.00 H new ATOM 0 HB2 LEU A 875 12.446 -5.272 9.130 1.00 0.00 H new ATOM 0 HB3 LEU A 875 11.192 -6.494 9.196 1.00 0.00 H new ATOM 0 HG LEU A 875 10.908 -3.780 10.506 1.00 0.00 H new ATOM 0 HD11 LEU A 875 9.574 -3.131 8.540 1.00 0.00 H new ATOM 0 HD12 LEU A 875 11.268 -3.467 8.108 1.00 0.00 H new ATOM 0 HD13 LEU A 875 10.002 -4.666 7.748 1.00 0.00 H new ATOM 0 HD21 LEU A 875 8.504 -4.322 10.418 1.00 0.00 H new ATOM 0 HD22 LEU A 875 8.891 -5.903 9.700 1.00 0.00 H new ATOM 0 HD23 LEU A 875 9.417 -5.526 11.357 1.00 0.00 H new ATOM 1219 N ILE A 876 14.204 -7.199 10.251 1.00 0.00 N ATOM 1220 CA ILE A 876 15.113 -8.306 9.979 1.00 0.00 C ATOM 1221 C ILE A 876 15.365 -9.131 11.236 1.00 0.00 C ATOM 1222 O ILE A 876 15.349 -10.362 11.196 1.00 0.00 O ATOM 1223 CB ILE A 876 16.461 -7.805 9.428 1.00 0.00 C ATOM 1224 CG1 ILE A 876 16.240 -6.948 8.180 1.00 0.00 C ATOM 1225 CG2 ILE A 876 17.374 -8.981 9.114 1.00 0.00 C ATOM 1226 CD1 ILE A 876 17.524 -6.524 7.503 1.00 0.00 C ATOM 0 H ILE A 876 14.551 -6.286 9.957 1.00 0.00 H new ATOM 0 HA ILE A 876 14.633 -8.932 9.227 1.00 0.00 H new ATOM 0 HB ILE A 876 16.941 -7.189 10.188 1.00 0.00 H new ATOM 0 HG12 ILE A 876 15.631 -7.506 7.469 1.00 0.00 H new ATOM 0 HG13 ILE A 876 15.673 -6.059 8.456 1.00 0.00 H new ATOM 0 HG21 ILE A 876 18.323 -8.611 8.725 1.00 0.00 H new ATOM 0 HG22 ILE A 876 17.553 -9.555 10.023 1.00 0.00 H new ATOM 0 HG23 ILE A 876 16.901 -9.620 8.368 1.00 0.00 H new ATOM 0 HD11 ILE A 876 17.291 -5.920 6.626 1.00 0.00 H new ATOM 0 HD12 ILE A 876 18.125 -5.938 8.198 1.00 0.00 H new ATOM 0 HD13 ILE A 876 18.083 -7.408 7.196 1.00 0.00 H new ATOM 1238 N ASP A 877 15.596 -8.446 12.350 1.00 0.00 N ATOM 1239 CA ASP A 877 15.849 -9.116 13.621 1.00 0.00 C ATOM 1240 C ASP A 877 14.545 -9.592 14.253 1.00 0.00 C ATOM 1241 O ASP A 877 14.554 -10.376 15.202 1.00 0.00 O ATOM 1242 CB ASP A 877 16.581 -8.176 14.580 1.00 0.00 C ATOM 1243 CG ASP A 877 17.311 -8.924 15.678 1.00 0.00 C ATOM 1244 OD1 ASP A 877 16.634 -9.461 16.580 1.00 0.00 O ATOM 1245 OD2 ASP A 877 18.558 -8.971 15.638 1.00 0.00 O ATOM 0 H ASP A 877 15.613 -7.427 12.399 1.00 0.00 H new ATOM 0 HA ASP A 877 16.477 -9.986 13.427 1.00 0.00 H new ATOM 0 HB2 ASP A 877 17.295 -7.573 14.019 1.00 0.00 H new ATOM 0 HB3 ASP A 877 15.864 -7.488 15.028 1.00 0.00 H new ATOM 1250 N ARG A 878 13.425 -9.113 13.721 1.00 0.00 N ATOM 1251 CA ARG A 878 12.113 -9.488 14.234 1.00 0.00 C ATOM 1252 C ARG A 878 11.617 -10.771 13.573 1.00 0.00 C ATOM 1253 O ARG A 878 10.412 -11.005 13.476 1.00 0.00 O ATOM 1254 CB ARG A 878 11.108 -8.359 13.999 1.00 0.00 C ATOM 1255 CG ARG A 878 11.151 -7.274 15.063 1.00 0.00 C ATOM 1256 CD ARG A 878 10.429 -6.016 14.606 1.00 0.00 C ATOM 1257 NE ARG A 878 10.369 -5.006 15.659 1.00 0.00 N ATOM 1258 CZ ARG A 878 9.501 -5.042 16.663 1.00 0.00 C ATOM 1259 NH1 ARG A 878 8.624 -6.033 16.751 1.00 0.00 N ATOM 1260 NH2 ARG A 878 9.509 -4.086 17.583 1.00 0.00 N ATOM 0 H ARG A 878 13.400 -8.464 12.934 1.00 0.00 H new ATOM 0 HA ARG A 878 12.207 -9.664 15.306 1.00 0.00 H new ATOM 0 HB2 ARG A 878 11.301 -7.909 13.025 1.00 0.00 H new ATOM 0 HB3 ARG A 878 10.103 -8.780 13.962 1.00 0.00 H new ATOM 0 HG2 ARG A 878 10.693 -7.644 15.980 1.00 0.00 H new ATOM 0 HG3 ARG A 878 12.188 -7.034 15.298 1.00 0.00 H new ATOM 0 HD2 ARG A 878 10.938 -5.602 13.735 1.00 0.00 H new ATOM 0 HD3 ARG A 878 9.417 -6.273 14.292 1.00 0.00 H new ATOM 0 HE ARG A 878 11.030 -4.230 15.621 1.00 0.00 H new ATOM 0 HH11 ARG A 878 8.615 -6.770 16.046 1.00 0.00 H new ATOM 0 HH12 ARG A 878 7.958 -6.058 17.524 1.00 0.00 H new ATOM 0 HH21 ARG A 878 10.182 -3.323 17.519 1.00 0.00 H new ATOM 0 HH22 ARG A 878 8.842 -4.115 18.354 1.00 0.00 H new ATOM 1274 N ASP A 879 12.554 -11.597 13.120 1.00 0.00 N ATOM 1275 CA ASP A 879 12.212 -12.856 12.469 1.00 0.00 C ATOM 1276 C ASP A 879 11.286 -12.619 11.280 1.00 0.00 C ATOM 1277 O ASP A 879 10.263 -13.289 11.135 1.00 0.00 O ATOM 1278 CB ASP A 879 11.550 -13.808 13.466 1.00 0.00 C ATOM 1279 CG ASP A 879 12.562 -14.579 14.291 1.00 0.00 C ATOM 1280 OD1 ASP A 879 13.185 -13.971 15.186 1.00 0.00 O ATOM 1281 OD2 ASP A 879 12.729 -15.791 14.041 1.00 0.00 O ATOM 0 H ASP A 879 13.555 -11.417 13.192 1.00 0.00 H new ATOM 0 HA ASP A 879 13.133 -13.309 12.104 1.00 0.00 H new ATOM 0 HB2 ASP A 879 10.901 -13.239 14.132 1.00 0.00 H new ATOM 0 HB3 ASP A 879 10.915 -14.510 12.926 1.00 0.00 H new ATOM 1286 N TYR A 880 11.651 -11.663 10.434 1.00 0.00 N ATOM 1287 CA TYR A 880 10.851 -11.335 9.260 1.00 0.00 C ATOM 1288 C TYR A 880 11.695 -11.397 7.991 1.00 0.00 C ATOM 1289 O TYR A 880 11.221 -11.820 6.937 1.00 0.00 O ATOM 1290 CB TYR A 880 10.234 -9.943 9.409 1.00 0.00 C ATOM 1291 CG TYR A 880 9.012 -9.914 10.298 1.00 0.00 C ATOM 1292 CD1 TYR A 880 7.783 -10.373 9.838 1.00 0.00 C ATOM 1293 CD2 TYR A 880 9.085 -9.429 11.598 1.00 0.00 C ATOM 1294 CE1 TYR A 880 6.663 -10.348 10.647 1.00 0.00 C ATOM 1295 CE2 TYR A 880 7.971 -9.401 12.414 1.00 0.00 C ATOM 1296 CZ TYR A 880 6.762 -9.861 11.934 1.00 0.00 C ATOM 1297 OH TYR A 880 5.649 -9.836 12.743 1.00 0.00 O ATOM 0 H TYR A 880 12.496 -11.101 10.539 1.00 0.00 H new ATOM 0 HA TYR A 880 10.052 -12.072 9.179 1.00 0.00 H new ATOM 0 HB2 TYR A 880 10.984 -9.264 9.815 1.00 0.00 H new ATOM 0 HB3 TYR A 880 9.964 -9.567 8.422 1.00 0.00 H new ATOM 0 HD1 TYR A 880 7.702 -10.756 8.831 1.00 0.00 H new ATOM 0 HD2 TYR A 880 10.029 -9.068 11.977 1.00 0.00 H new ATOM 0 HE1 TYR A 880 5.715 -10.708 10.274 1.00 0.00 H new ATOM 0 HE2 TYR A 880 8.046 -9.021 13.422 1.00 0.00 H new ATOM 0 HH TYR A 880 5.889 -9.465 13.618 1.00 0.00 H new ATOM 1307 N MET A 881 12.949 -10.971 8.101 1.00 0.00 N ATOM 1308 CA MET A 881 13.861 -10.979 6.963 1.00 0.00 C ATOM 1309 C MET A 881 15.272 -11.362 7.400 1.00 0.00 C ATOM 1310 O MET A 881 15.681 -11.078 8.525 1.00 0.00 O ATOM 1311 CB MET A 881 13.879 -9.606 6.287 1.00 0.00 C ATOM 1312 CG MET A 881 12.504 -9.124 5.854 1.00 0.00 C ATOM 1313 SD MET A 881 11.715 -10.240 4.678 1.00 0.00 S ATOM 1314 CE MET A 881 12.742 -9.989 3.232 1.00 0.00 C ATOM 0 H MET A 881 13.357 -10.616 8.966 1.00 0.00 H new ATOM 0 HA MET A 881 13.506 -11.723 6.250 1.00 0.00 H new ATOM 0 HB2 MET A 881 14.311 -8.878 6.974 1.00 0.00 H new ATOM 0 HB3 MET A 881 14.532 -9.648 5.415 1.00 0.00 H new ATOM 0 HG2 MET A 881 11.867 -9.019 6.732 1.00 0.00 H new ATOM 0 HG3 MET A 881 12.595 -8.135 5.405 1.00 0.00 H new ATOM 0 HE1 MET A 881 12.369 -10.600 2.410 1.00 0.00 H new ATOM 0 HE2 MET A 881 12.715 -8.938 2.944 1.00 0.00 H new ATOM 0 HE3 MET A 881 13.768 -10.276 3.460 1.00 0.00 H new ATOM 1324 N GLU A 882 16.009 -12.008 6.503 1.00 0.00 N ATOM 1325 CA GLU A 882 17.373 -12.431 6.798 1.00 0.00 C ATOM 1326 C GLU A 882 18.347 -11.894 5.752 1.00 0.00 C ATOM 1327 O GLU A 882 18.013 -11.794 4.572 1.00 0.00 O ATOM 1328 CB GLU A 882 17.458 -13.957 6.853 1.00 0.00 C ATOM 1329 CG GLU A 882 17.162 -14.632 5.524 1.00 0.00 C ATOM 1330 CD GLU A 882 17.746 -16.028 5.436 1.00 0.00 C ATOM 1331 OE1 GLU A 882 17.992 -16.636 6.499 1.00 0.00 O ATOM 1332 OE2 GLU A 882 17.957 -16.514 4.305 1.00 0.00 O ATOM 0 H GLU A 882 15.685 -12.250 5.567 1.00 0.00 H new ATOM 0 HA GLU A 882 17.649 -12.024 7.771 1.00 0.00 H new ATOM 0 HB2 GLU A 882 18.456 -14.245 7.183 1.00 0.00 H new ATOM 0 HB3 GLU A 882 16.756 -14.325 7.602 1.00 0.00 H new ATOM 0 HG2 GLU A 882 16.083 -14.684 5.380 1.00 0.00 H new ATOM 0 HG3 GLU A 882 17.563 -14.023 4.714 1.00 0.00 H new ATOM 1339 N ARG A 883 19.552 -11.551 6.196 1.00 0.00 N ATOM 1340 CA ARG A 883 20.574 -11.023 5.300 1.00 0.00 C ATOM 1341 C ARG A 883 21.305 -12.154 4.583 1.00 0.00 C ATOM 1342 O ARG A 883 21.792 -13.091 5.216 1.00 0.00 O ATOM 1343 CB ARG A 883 21.574 -10.168 6.080 1.00 0.00 C ATOM 1344 CG ARG A 883 21.057 -8.780 6.417 1.00 0.00 C ATOM 1345 CD ARG A 883 21.904 -8.115 7.491 1.00 0.00 C ATOM 1346 NE ARG A 883 21.270 -6.909 8.019 1.00 0.00 N ATOM 1347 CZ ARG A 883 21.688 -6.278 9.111 1.00 0.00 C ATOM 1348 NH1 ARG A 883 22.733 -6.735 9.786 1.00 0.00 N ATOM 1349 NH2 ARG A 883 21.059 -5.187 9.529 1.00 0.00 N ATOM 0 H ARG A 883 19.844 -11.629 7.170 1.00 0.00 H new ATOM 0 HA ARG A 883 20.081 -10.401 4.553 1.00 0.00 H new ATOM 0 HB2 ARG A 883 21.836 -10.683 7.004 1.00 0.00 H new ATOM 0 HB3 ARG A 883 22.490 -10.073 5.497 1.00 0.00 H new ATOM 0 HG2 ARG A 883 21.057 -8.163 5.519 1.00 0.00 H new ATOM 0 HG3 ARG A 883 20.024 -8.848 6.757 1.00 0.00 H new ATOM 0 HD2 ARG A 883 22.077 -8.820 8.304 1.00 0.00 H new ATOM 0 HD3 ARG A 883 22.880 -7.860 7.077 1.00 0.00 H new ATOM 0 HE ARG A 883 20.463 -6.531 7.522 1.00 0.00 H new ATOM 0 HH11 ARG A 883 23.219 -7.573 9.468 1.00 0.00 H new ATOM 0 HH12 ARG A 883 23.051 -6.248 10.624 1.00 0.00 H new ATOM 0 HH21 ARG A 883 20.254 -4.833 9.012 1.00 0.00 H new ATOM 0 HH22 ARG A 883 21.380 -4.703 10.367 1.00 0.00 H new ATOM 1363 N ASP A 884 21.378 -12.060 3.260 1.00 0.00 N ATOM 1364 CA ASP A 884 22.050 -13.074 2.457 1.00 0.00 C ATOM 1365 C ASP A 884 23.526 -13.173 2.830 1.00 0.00 C ATOM 1366 O ASP A 884 24.261 -12.187 2.768 1.00 0.00 O ATOM 1367 CB ASP A 884 21.908 -12.753 0.968 1.00 0.00 C ATOM 1368 CG ASP A 884 21.960 -13.996 0.101 1.00 0.00 C ATOM 1369 OD1 ASP A 884 22.186 -15.094 0.650 1.00 0.00 O ATOM 1370 OD2 ASP A 884 21.773 -13.869 -1.128 1.00 0.00 O ATOM 0 H ASP A 884 20.980 -11.291 2.721 1.00 0.00 H new ATOM 0 HA ASP A 884 21.577 -14.035 2.660 1.00 0.00 H new ATOM 0 HB2 ASP A 884 20.964 -12.235 0.799 1.00 0.00 H new ATOM 0 HB3 ASP A 884 22.704 -12.071 0.669 1.00 0.00 H new ATOM 1375 N LYS A 885 23.954 -14.370 3.219 1.00 0.00 N ATOM 1376 CA LYS A 885 25.342 -14.599 3.602 1.00 0.00 C ATOM 1377 C LYS A 885 26.292 -13.820 2.698 1.00 0.00 C ATOM 1378 O LYS A 885 27.300 -13.284 3.158 1.00 0.00 O ATOM 1379 CB LYS A 885 25.670 -16.092 3.539 1.00 0.00 C ATOM 1380 CG LYS A 885 25.211 -16.868 4.761 1.00 0.00 C ATOM 1381 CD LYS A 885 26.159 -16.677 5.932 1.00 0.00 C ATOM 1382 CE LYS A 885 25.517 -17.101 7.244 1.00 0.00 C ATOM 1383 NZ LYS A 885 25.149 -18.544 7.240 1.00 0.00 N ATOM 0 H LYS A 885 23.359 -15.196 3.277 1.00 0.00 H new ATOM 0 HA LYS A 885 25.473 -14.247 4.625 1.00 0.00 H new ATOM 0 HB2 LYS A 885 25.205 -16.520 2.651 1.00 0.00 H new ATOM 0 HB3 LYS A 885 26.747 -16.214 3.425 1.00 0.00 H new ATOM 0 HG2 LYS A 885 24.210 -16.542 5.045 1.00 0.00 H new ATOM 0 HG3 LYS A 885 25.143 -17.928 4.516 1.00 0.00 H new ATOM 0 HD2 LYS A 885 27.066 -17.258 5.765 1.00 0.00 H new ATOM 0 HD3 LYS A 885 26.457 -15.630 5.993 1.00 0.00 H new ATOM 0 HE2 LYS A 885 26.206 -16.904 8.066 1.00 0.00 H new ATOM 0 HE3 LYS A 885 24.626 -16.499 7.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 885 24.761 -18.806 8.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 885 24.434 -18.718 6.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 885 25.994 -19.117 7.044 1.00 0.00 H new ATOM 1397 N GLU A 886 25.962 -13.761 1.412 1.00 0.00 N ATOM 1398 CA GLU A 886 26.787 -13.046 0.445 1.00 0.00 C ATOM 1399 C GLU A 886 26.961 -11.586 0.852 1.00 0.00 C ATOM 1400 O GLU A 886 28.065 -11.146 1.169 1.00 0.00 O ATOM 1401 CB GLU A 886 26.163 -13.127 -0.950 1.00 0.00 C ATOM 1402 CG GLU A 886 26.639 -14.321 -1.761 1.00 0.00 C ATOM 1403 CD GLU A 886 27.935 -14.046 -2.499 1.00 0.00 C ATOM 1404 OE1 GLU A 886 29.012 -14.229 -1.894 1.00 0.00 O ATOM 1405 OE2 GLU A 886 27.872 -13.647 -3.681 1.00 0.00 O ATOM 0 H GLU A 886 25.130 -14.199 1.016 1.00 0.00 H new ATOM 0 HA GLU A 886 27.769 -13.519 0.424 1.00 0.00 H new ATOM 0 HB2 GLU A 886 25.078 -13.174 -0.852 1.00 0.00 H new ATOM 0 HB3 GLU A 886 26.394 -12.212 -1.496 1.00 0.00 H new ATOM 0 HG2 GLU A 886 26.777 -15.174 -1.097 1.00 0.00 H new ATOM 0 HG3 GLU A 886 25.868 -14.598 -2.480 1.00 0.00 H new ATOM 1412 N ASN A 887 25.862 -10.839 0.839 1.00 0.00 N ATOM 1413 CA ASN A 887 25.892 -9.428 1.206 1.00 0.00 C ATOM 1414 C ASN A 887 24.612 -9.028 1.934 1.00 0.00 C ATOM 1415 O ASN A 887 23.519 -9.505 1.629 1.00 0.00 O ATOM 1416 CB ASN A 887 26.076 -8.560 -0.041 1.00 0.00 C ATOM 1417 CG ASN A 887 25.449 -9.180 -1.275 1.00 0.00 C ATOM 1418 OD1 ASN A 887 24.296 -9.609 -1.250 1.00 0.00 O ATOM 1419 ND2 ASN A 887 26.210 -9.230 -2.362 1.00 0.00 N ATOM 0 H ASN A 887 24.939 -11.187 0.578 1.00 0.00 H new ATOM 0 HA ASN A 887 26.735 -9.270 1.878 1.00 0.00 H new ATOM 0 HB2 ASN A 887 25.634 -7.579 0.134 1.00 0.00 H new ATOM 0 HB3 ASN A 887 27.140 -8.403 -0.217 1.00 0.00 H new ATOM 0 HD21 ASN A 887 25.844 -9.637 -3.223 1.00 0.00 H new ATOM 0 HD22 ASN A 887 27.161 -8.862 -2.336 1.00 0.00 H new ATOM 1426 N PRO A 888 24.749 -8.129 2.920 1.00 0.00 N ATOM 1427 CA PRO A 888 23.615 -7.643 3.711 1.00 0.00 C ATOM 1428 C PRO A 888 22.679 -6.755 2.899 1.00 0.00 C ATOM 1429 O PRO A 888 21.689 -6.240 3.418 1.00 0.00 O ATOM 1430 CB PRO A 888 24.281 -6.837 4.829 1.00 0.00 C ATOM 1431 CG PRO A 888 25.590 -6.410 4.259 1.00 0.00 C ATOM 1432 CD PRO A 888 26.021 -7.517 3.338 1.00 0.00 C ATOM 0 HA PRO A 888 22.990 -8.460 4.071 1.00 0.00 H new ATOM 0 HB2 PRO A 888 23.674 -5.978 5.113 1.00 0.00 H new ATOM 0 HB3 PRO A 888 24.418 -7.442 5.726 1.00 0.00 H new ATOM 0 HG2 PRO A 888 25.492 -5.469 3.718 1.00 0.00 H new ATOM 0 HG3 PRO A 888 26.325 -6.250 5.047 1.00 0.00 H new ATOM 0 HD2 PRO A 888 26.582 -7.135 2.485 1.00 0.00 H new ATOM 0 HD3 PRO A 888 26.664 -8.235 3.847 1.00 0.00 H new ATOM 1440 N ASN A 889 22.999 -6.579 1.621 1.00 0.00 N ATOM 1441 CA ASN A 889 22.186 -5.752 0.736 1.00 0.00 C ATOM 1442 C ASN A 889 20.941 -6.506 0.278 1.00 0.00 C ATOM 1443 O ASN A 889 19.955 -5.899 -0.139 1.00 0.00 O ATOM 1444 CB ASN A 889 23.004 -5.312 -0.479 1.00 0.00 C ATOM 1445 CG ASN A 889 24.127 -4.363 -0.107 1.00 0.00 C ATOM 1446 OD1 ASN A 889 23.965 -3.499 0.755 1.00 0.00 O ATOM 1447 ND2 ASN A 889 25.275 -4.520 -0.757 1.00 0.00 N ATOM 0 H ASN A 889 23.815 -6.998 1.175 1.00 0.00 H new ATOM 0 HA ASN A 889 21.871 -4.870 1.293 1.00 0.00 H new ATOM 0 HB2 ASN A 889 23.422 -6.191 -0.970 1.00 0.00 H new ATOM 0 HB3 ASN A 889 22.346 -4.827 -1.200 1.00 0.00 H new ATOM 0 HD21 ASN A 889 26.066 -3.911 -0.549 1.00 0.00 H new ATOM 0 HD22 ASN A 889 25.365 -5.250 -1.464 1.00 0.00 H new ATOM 1454 N GLN A 890 20.995 -7.831 0.361 1.00 0.00 N ATOM 1455 CA GLN A 890 19.871 -8.668 -0.044 1.00 0.00 C ATOM 1456 C GLN A 890 19.175 -9.271 1.171 1.00 0.00 C ATOM 1457 O GLN A 890 19.825 -9.806 2.069 1.00 0.00 O ATOM 1458 CB GLN A 890 20.348 -9.781 -0.978 1.00 0.00 C ATOM 1459 CG GLN A 890 19.334 -10.899 -1.161 1.00 0.00 C ATOM 1460 CD GLN A 890 19.484 -11.612 -2.490 1.00 0.00 C ATOM 1461 OE1 GLN A 890 19.623 -12.932 -2.441 1.00 0.00 O flip ATOM 1462 NE2 GLN A 890 19.476 -10.984 -3.549 1.00 0.00 N flip ATOM 0 H GLN A 890 21.804 -8.348 0.705 1.00 0.00 H new ATOM 0 HA GLN A 890 19.155 -8.040 -0.574 1.00 0.00 H new ATOM 0 HB2 GLN A 890 20.582 -9.351 -1.952 1.00 0.00 H new ATOM 0 HB3 GLN A 890 21.273 -10.202 -0.585 1.00 0.00 H new ATOM 0 HG2 GLN A 890 19.445 -11.621 -0.352 1.00 0.00 H new ATOM 0 HG3 GLN A 890 18.328 -10.487 -1.086 1.00 0.00 H new ATOM 0 HE21 GLN A 890 19.367 -9.970 -3.540 1.00 0.00 H new ATOM 0 HE22 GLN A 890 19.579 -11.478 -4.436 1.00 0.00 H new ATOM 1471 N TYR A 891 17.850 -9.180 1.193 1.00 0.00 N ATOM 1472 CA TYR A 891 17.065 -9.714 2.300 1.00 0.00 C ATOM 1473 C TYR A 891 16.076 -10.767 1.808 1.00 0.00 C ATOM 1474 O TYR A 891 15.385 -10.567 0.811 1.00 0.00 O ATOM 1475 CB TYR A 891 16.315 -8.587 3.011 1.00 0.00 C ATOM 1476 CG TYR A 891 17.169 -7.369 3.285 1.00 0.00 C ATOM 1477 CD1 TYR A 891 18.155 -7.394 4.263 1.00 0.00 C ATOM 1478 CD2 TYR A 891 16.990 -6.195 2.565 1.00 0.00 C ATOM 1479 CE1 TYR A 891 18.937 -6.284 4.518 1.00 0.00 C ATOM 1480 CE2 TYR A 891 17.768 -5.080 2.811 1.00 0.00 C ATOM 1481 CZ TYR A 891 18.740 -5.130 3.789 1.00 0.00 C ATOM 1482 OH TYR A 891 19.518 -4.023 4.038 1.00 0.00 O ATOM 0 H TYR A 891 17.297 -8.741 0.457 1.00 0.00 H new ATOM 0 HA TYR A 891 17.750 -10.186 3.004 1.00 0.00 H new ATOM 0 HB2 TYR A 891 15.460 -8.291 2.403 1.00 0.00 H new ATOM 0 HB3 TYR A 891 15.921 -8.963 3.955 1.00 0.00 H new ATOM 0 HD1 TYR A 891 18.313 -8.297 4.834 1.00 0.00 H new ATOM 0 HD2 TYR A 891 16.229 -6.153 1.799 1.00 0.00 H new ATOM 0 HE1 TYR A 891 19.698 -6.320 5.284 1.00 0.00 H new ATOM 0 HE2 TYR A 891 17.616 -4.175 2.241 1.00 0.00 H new ATOM 0 HH TYR A 891 20.465 -4.269 3.981 1.00 0.00 H new ATOM 1492 N ASN A 892 16.016 -11.889 2.518 1.00 0.00 N ATOM 1493 CA ASN A 892 15.113 -12.975 2.155 1.00 0.00 C ATOM 1494 C ASN A 892 13.909 -13.017 3.092 1.00 0.00 C ATOM 1495 O ASN A 892 13.965 -12.514 4.214 1.00 0.00 O ATOM 1496 CB ASN A 892 15.851 -14.315 2.194 1.00 0.00 C ATOM 1497 CG ASN A 892 17.134 -14.291 1.387 1.00 0.00 C ATOM 1498 OD1 ASN A 892 17.158 -14.701 0.226 1.00 0.00 O ATOM 1499 ND2 ASN A 892 18.210 -13.811 2.000 1.00 0.00 N ATOM 0 H ASN A 892 16.582 -12.070 3.347 1.00 0.00 H new ATOM 0 HA ASN A 892 14.756 -12.794 1.141 1.00 0.00 H new ATOM 0 HB2 ASN A 892 16.080 -14.571 3.229 1.00 0.00 H new ATOM 0 HB3 ASN A 892 15.198 -15.098 1.809 1.00 0.00 H new ATOM 0 HD21 ASN A 892 19.102 -13.771 1.508 1.00 0.00 H new ATOM 0 HD22 ASN A 892 18.144 -13.482 2.963 1.00 0.00 H new ATOM 1506 N TYR A 893 12.823 -13.622 2.624 1.00 0.00 N ATOM 1507 CA TYR A 893 11.605 -13.729 3.418 1.00 0.00 C ATOM 1508 C TYR A 893 11.647 -14.961 4.317 1.00 0.00 C ATOM 1509 O TYR A 893 12.031 -16.047 3.882 1.00 0.00 O ATOM 1510 CB TYR A 893 10.379 -13.791 2.505 1.00 0.00 C ATOM 1511 CG TYR A 893 9.066 -13.798 3.255 1.00 0.00 C ATOM 1512 CD1 TYR A 893 8.611 -12.659 3.909 1.00 0.00 C ATOM 1513 CD2 TYR A 893 8.281 -14.942 3.310 1.00 0.00 C ATOM 1514 CE1 TYR A 893 7.413 -12.661 4.596 1.00 0.00 C ATOM 1515 CE2 TYR A 893 7.080 -14.953 3.992 1.00 0.00 C ATOM 1516 CZ TYR A 893 6.650 -13.810 4.634 1.00 0.00 C ATOM 1517 OH TYR A 893 5.455 -13.816 5.316 1.00 0.00 O ATOM 0 H TYR A 893 12.761 -14.046 1.698 1.00 0.00 H new ATOM 0 HA TYR A 893 11.535 -12.843 4.049 1.00 0.00 H new ATOM 0 HB2 TYR A 893 10.397 -12.937 1.828 1.00 0.00 H new ATOM 0 HB3 TYR A 893 10.440 -14.688 1.888 1.00 0.00 H new ATOM 0 HD1 TYR A 893 9.204 -11.757 3.879 1.00 0.00 H new ATOM 0 HD2 TYR A 893 8.616 -15.839 2.811 1.00 0.00 H new ATOM 0 HE1 TYR A 893 7.075 -11.768 5.101 1.00 0.00 H new ATOM 0 HE2 TYR A 893 6.481 -15.851 4.023 1.00 0.00 H new ATOM 0 HH TYR A 893 5.042 -14.702 5.244 1.00 0.00 H new ATOM 1527 N ILE A 894 11.250 -14.783 5.572 1.00 0.00 N ATOM 1528 CA ILE A 894 11.240 -15.880 6.532 1.00 0.00 C ATOM 1529 C ILE A 894 9.897 -15.972 7.248 1.00 0.00 C ATOM 1530 O ILE A 894 9.435 -17.062 7.586 1.00 0.00 O ATOM 1531 CB ILE A 894 12.357 -15.721 7.580 1.00 0.00 C ATOM 1532 CG1 ILE A 894 12.405 -14.280 8.092 1.00 0.00 C ATOM 1533 CG2 ILE A 894 13.700 -16.123 6.988 1.00 0.00 C ATOM 1534 CD1 ILE A 894 13.548 -14.015 9.047 1.00 0.00 C ATOM 0 H ILE A 894 10.931 -13.890 5.948 1.00 0.00 H new ATOM 0 HA ILE A 894 11.411 -16.796 5.966 1.00 0.00 H new ATOM 0 HB ILE A 894 12.141 -16.379 8.422 1.00 0.00 H new ATOM 0 HG12 ILE A 894 12.489 -13.604 7.241 1.00 0.00 H new ATOM 0 HG13 ILE A 894 11.464 -14.049 8.591 1.00 0.00 H new ATOM 0 HG21 ILE A 894 14.479 -16.005 7.741 1.00 0.00 H new ATOM 0 HG22 ILE A 894 13.659 -17.164 6.668 1.00 0.00 H new ATOM 0 HG23 ILE A 894 13.924 -15.488 6.131 1.00 0.00 H new ATOM 0 HD11 ILE A 894 13.519 -12.974 9.369 1.00 0.00 H new ATOM 0 HD12 ILE A 894 13.454 -14.666 9.916 1.00 0.00 H new ATOM 0 HD13 ILE A 894 14.495 -14.214 8.545 1.00 0.00 H new ATOM 1546 N ALA A 895 9.273 -14.821 7.475 1.00 0.00 N ATOM 1547 CA ALA A 895 7.981 -14.771 8.147 1.00 0.00 C ATOM 1548 C ALA A 895 7.131 -15.988 7.793 1.00 0.00 C ATOM 1549 O ALA A 895 7.129 -16.444 6.650 1.00 0.00 O ATOM 1550 CB ALA A 895 7.246 -13.489 7.784 1.00 0.00 C ATOM 0 H ALA A 895 9.642 -13.910 7.203 1.00 0.00 H new ATOM 0 HA ALA A 895 8.158 -14.783 9.222 1.00 0.00 H new ATOM 0 HB1 ALA A 895 6.283 -13.465 8.293 1.00 0.00 H new ATOM 0 HB2 ALA A 895 7.841 -12.629 8.092 1.00 0.00 H new ATOM 0 HB3 ALA A 895 7.088 -13.453 6.706 1.00 0.00 H new