USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=12 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= -0.468 X(o=-0.47,f=-0.32) USER MOD Set 1.2: A 891 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 840 MET CE :methyl -147:sc= -1.37 (180deg=-3.11!) USER MOD Set 2.2: A 881 MET CE :methyl -177:sc= -2.92! (180deg=-3.02!) USER MOD Set 3.1: A 845 THR OG1 : rot -94:sc= 0.985 USER MOD Set 3.2: A 892 ASN : amide:sc= 1.04 K(o=2,f=-0.42!) USER MOD Single : A 829 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 830 TYR OH : rot 180:sc= 0 USER MOD Single : A 831 GLN : amide:sc= -0.497 K(o=-0.5,f=-4!) 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 849 ASN : amide:sc= -0.285 X(o=-0.29,f=-0.015) USER MOD Single : A 853 SER OG : rot 180:sc= 0 USER MOD Single : A 856 TYR OH : rot 151:sc= -0.581 USER MOD Single : A 857 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 858 GLN : amide:sc= -0.496 K(o=-0.5,f=-1.5) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 870 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 874 SER OG : rot 180:sc= 0 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 :FLIP amide:sc= -2.26! C(o=-2.8!,f=-2.3!) USER MOD Single : A 889 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 890 GLN : amide:sc= -2.28! X(o=-2.3!,f=-2.8) USER MOD Single : A 893 TYR OH : rot 180:sc= -0.302 USER MOD ----------------------------------------------------------------- ATOM 386 N ARG A 828 3.148 6.859 11.669 1.00 0.00 N ATOM 387 CA ARG A 828 4.246 6.786 10.713 1.00 0.00 C ATOM 388 C ARG A 828 4.977 5.451 10.825 1.00 0.00 C ATOM 389 O ARG A 828 4.917 4.622 9.918 1.00 0.00 O ATOM 390 CB ARG A 828 5.226 7.938 10.941 1.00 0.00 C ATOM 391 CG ARG A 828 4.676 9.295 10.537 1.00 0.00 C ATOM 392 CD ARG A 828 5.792 10.270 10.196 1.00 0.00 C ATOM 393 NE ARG A 828 5.281 11.607 9.905 1.00 0.00 N ATOM 394 CZ ARG A 828 4.831 12.441 10.836 1.00 0.00 C ATOM 395 NH1 ARG A 828 4.830 12.078 12.111 1.00 0.00 N ATOM 396 NH2 ARG A 828 4.382 13.641 10.492 1.00 0.00 N ATOM 0 HA ARG A 828 3.827 6.868 9.710 1.00 0.00 H new ATOM 0 HB2 ARG A 828 5.501 7.966 11.995 1.00 0.00 H new ATOM 0 HB3 ARG A 828 6.139 7.744 10.378 1.00 0.00 H new ATOM 0 HG2 ARG A 828 4.017 9.180 9.677 1.00 0.00 H new ATOM 0 HG3 ARG A 828 4.073 9.701 11.349 1.00 0.00 H new ATOM 0 HD2 ARG A 828 6.494 10.323 11.028 1.00 0.00 H new ATOM 0 HD3 ARG A 828 6.347 9.899 9.335 1.00 0.00 H new ATOM 0 HE ARG A 828 5.269 11.917 8.933 1.00 0.00 H new ATOM 0 HH11 ARG A 828 5.175 11.156 12.379 1.00 0.00 H new ATOM 0 HH12 ARG A 828 4.484 12.720 12.824 1.00 0.00 H new ATOM 0 HH21 ARG A 828 4.382 13.924 9.512 1.00 0.00 H new ATOM 0 HH22 ARG A 828 4.037 14.281 11.207 1.00 0.00 H new ATOM 410 N GLN A 829 5.667 5.253 11.944 1.00 0.00 N ATOM 411 CA GLN A 829 6.410 4.020 12.174 1.00 0.00 C ATOM 412 C GLN A 829 5.643 2.814 11.640 1.00 0.00 C ATOM 413 O GLN A 829 6.240 1.840 11.181 1.00 0.00 O ATOM 414 CB GLN A 829 6.692 3.840 13.666 1.00 0.00 C ATOM 415 CG GLN A 829 5.439 3.624 14.500 1.00 0.00 C ATOM 416 CD GLN A 829 5.713 2.853 15.776 1.00 0.00 C ATOM 417 OE1 GLN A 829 6.177 3.416 16.768 1.00 0.00 O ATOM 418 NE2 GLN A 829 5.427 1.556 15.757 1.00 0.00 N ATOM 0 H GLN A 829 5.727 5.930 12.705 1.00 0.00 H new ATOM 0 HA GLN A 829 7.357 4.091 11.639 1.00 0.00 H new ATOM 0 HB2 GLN A 829 7.360 2.989 13.801 1.00 0.00 H new ATOM 0 HB3 GLN A 829 7.218 4.720 14.037 1.00 0.00 H new ATOM 0 HG2 GLN A 829 5.003 4.591 14.751 1.00 0.00 H new ATOM 0 HG3 GLN A 829 4.700 3.086 13.906 1.00 0.00 H new ATOM 0 HE21 GLN A 829 5.044 1.131 14.913 1.00 0.00 H new ATOM 0 HE22 GLN A 829 5.591 0.985 16.587 1.00 0.00 H new ATOM 427 N TYR A 830 4.319 2.887 11.704 1.00 0.00 N ATOM 428 CA TYR A 830 3.470 1.800 11.230 1.00 0.00 C ATOM 429 C TYR A 830 3.376 1.807 9.707 1.00 0.00 C ATOM 430 O TYR A 830 3.496 0.765 9.063 1.00 0.00 O ATOM 431 CB TYR A 830 2.072 1.914 11.839 1.00 0.00 C ATOM 432 CG TYR A 830 1.983 1.389 13.254 1.00 0.00 C ATOM 433 CD1 TYR A 830 1.686 0.055 13.504 1.00 0.00 C ATOM 434 CD2 TYR A 830 2.195 2.227 14.341 1.00 0.00 C ATOM 435 CE1 TYR A 830 1.603 -0.429 14.795 1.00 0.00 C ATOM 436 CE2 TYR A 830 2.116 1.752 15.636 1.00 0.00 C ATOM 437 CZ TYR A 830 1.819 0.423 15.858 1.00 0.00 C ATOM 438 OH TYR A 830 1.738 -0.054 17.146 1.00 0.00 O ATOM 0 H TYR A 830 3.810 3.687 12.079 1.00 0.00 H new ATOM 0 HA TYR A 830 3.920 0.858 11.544 1.00 0.00 H new ATOM 0 HB2 TYR A 830 1.764 2.960 11.828 1.00 0.00 H new ATOM 0 HB3 TYR A 830 1.366 1.368 11.213 1.00 0.00 H new ATOM 0 HD1 TYR A 830 1.517 -0.615 12.674 1.00 0.00 H new ATOM 0 HD2 TYR A 830 2.426 3.268 14.171 1.00 0.00 H new ATOM 0 HE1 TYR A 830 1.370 -1.469 14.971 1.00 0.00 H new ATOM 0 HE2 TYR A 830 2.286 2.417 16.470 1.00 0.00 H new ATOM 0 HH TYR A 830 1.918 0.674 17.776 1.00 0.00 H new ATOM 448 N GLN A 831 3.160 2.989 9.139 1.00 0.00 N ATOM 449 CA GLN A 831 3.050 3.133 7.693 1.00 0.00 C ATOM 450 C GLN A 831 4.309 2.626 6.998 1.00 0.00 C ATOM 451 O GLN A 831 4.234 1.957 5.966 1.00 0.00 O ATOM 452 CB GLN A 831 2.802 4.596 7.322 1.00 0.00 C ATOM 453 CG GLN A 831 1.382 5.062 7.600 1.00 0.00 C ATOM 454 CD GLN A 831 0.393 4.569 6.562 1.00 0.00 C ATOM 455 OE1 GLN A 831 0.533 3.469 6.027 1.00 0.00 O ATOM 456 NE2 GLN A 831 -0.616 5.383 6.273 1.00 0.00 N ATOM 0 H GLN A 831 3.058 3.861 9.659 1.00 0.00 H new ATOM 0 HA GLN A 831 2.205 2.532 7.357 1.00 0.00 H new ATOM 0 HB2 GLN A 831 3.497 5.226 7.877 1.00 0.00 H new ATOM 0 HB3 GLN A 831 3.021 4.736 6.263 1.00 0.00 H new ATOM 0 HG2 GLN A 831 1.075 4.711 8.585 1.00 0.00 H new ATOM 0 HG3 GLN A 831 1.360 6.151 7.629 1.00 0.00 H new ATOM 0 HE21 GLN A 831 -0.693 6.286 6.741 1.00 0.00 H new ATOM 0 HE22 GLN A 831 -1.314 5.105 5.583 1.00 0.00 H new ATOM 465 N ILE A 832 5.465 2.949 7.569 1.00 0.00 N ATOM 466 CA ILE A 832 6.740 2.525 7.004 1.00 0.00 C ATOM 467 C ILE A 832 6.976 1.037 7.235 1.00 0.00 C ATOM 468 O ILE A 832 7.211 0.281 6.291 1.00 0.00 O ATOM 469 CB ILE A 832 7.914 3.319 7.606 1.00 0.00 C ATOM 470 CG1 ILE A 832 7.873 4.773 7.129 1.00 0.00 C ATOM 471 CG2 ILE A 832 9.239 2.671 7.233 1.00 0.00 C ATOM 472 CD1 ILE A 832 6.713 5.562 7.695 1.00 0.00 C ATOM 0 H ILE A 832 5.545 3.503 8.422 1.00 0.00 H new ATOM 0 HA ILE A 832 6.691 2.720 5.933 1.00 0.00 H new ATOM 0 HB ILE A 832 7.820 3.310 8.692 1.00 0.00 H new ATOM 0 HG12 ILE A 832 8.806 5.264 7.406 1.00 0.00 H new ATOM 0 HG13 ILE A 832 7.816 4.788 6.041 1.00 0.00 H new ATOM 0 HG21 ILE A 832 10.059 3.244 7.666 1.00 0.00 H new ATOM 0 HG22 ILE A 832 9.266 1.651 7.617 1.00 0.00 H new ATOM 0 HG23 ILE A 832 9.342 2.653 6.148 1.00 0.00 H new ATOM 0 HD11 ILE A 832 6.747 6.583 7.314 1.00 0.00 H new ATOM 0 HD12 ILE A 832 5.775 5.095 7.396 1.00 0.00 H new ATOM 0 HD13 ILE A 832 6.780 5.578 8.783 1.00 0.00 H new ATOM 484 N ASP A 833 6.911 0.621 8.495 1.00 0.00 N ATOM 485 CA ASP A 833 7.114 -0.778 8.850 1.00 0.00 C ATOM 486 C ASP A 833 6.209 -1.686 8.024 1.00 0.00 C ATOM 487 O ASP A 833 6.629 -2.748 7.567 1.00 0.00 O ATOM 488 CB ASP A 833 6.848 -0.992 10.341 1.00 0.00 C ATOM 489 CG ASP A 833 6.979 -2.446 10.750 1.00 0.00 C ATOM 490 OD1 ASP A 833 6.329 -3.301 10.115 1.00 0.00 O ATOM 491 OD2 ASP A 833 7.733 -2.727 11.706 1.00 0.00 O ATOM 0 H ASP A 833 6.719 1.233 9.288 1.00 0.00 H new ATOM 0 HA ASP A 833 8.151 -1.035 8.633 1.00 0.00 H new ATOM 0 HB2 ASP A 833 7.547 -0.390 10.922 1.00 0.00 H new ATOM 0 HB3 ASP A 833 5.846 -0.639 10.583 1.00 0.00 H new ATOM 496 N ALA A 834 4.964 -1.261 7.838 1.00 0.00 N ATOM 497 CA ALA A 834 3.999 -2.035 7.066 1.00 0.00 C ATOM 498 C ALA A 834 4.429 -2.149 5.607 1.00 0.00 C ATOM 499 O ALA A 834 4.620 -3.250 5.092 1.00 0.00 O ATOM 500 CB ALA A 834 2.618 -1.404 7.163 1.00 0.00 C ATOM 0 H ALA A 834 4.599 -0.385 8.211 1.00 0.00 H new ATOM 0 HA ALA A 834 3.957 -3.040 7.485 1.00 0.00 H new ATOM 0 HB1 ALA A 834 1.908 -1.992 6.582 1.00 0.00 H new ATOM 0 HB2 ALA A 834 2.302 -1.379 8.206 1.00 0.00 H new ATOM 0 HB3 ALA A 834 2.654 -0.388 6.771 1.00 0.00 H new ATOM 506 N ALA A 835 4.579 -1.006 4.947 1.00 0.00 N ATOM 507 CA ALA A 835 4.987 -0.978 3.548 1.00 0.00 C ATOM 508 C ALA A 835 6.146 -1.938 3.296 1.00 0.00 C ATOM 509 O ALA A 835 6.210 -2.586 2.251 1.00 0.00 O ATOM 510 CB ALA A 835 5.371 0.435 3.138 1.00 0.00 C ATOM 0 H ALA A 835 4.424 -0.086 5.359 1.00 0.00 H new ATOM 0 HA ALA A 835 4.141 -1.302 2.942 1.00 0.00 H new ATOM 0 HB1 ALA A 835 5.674 0.440 2.091 1.00 0.00 H new ATOM 0 HB2 ALA A 835 4.516 1.098 3.272 1.00 0.00 H new ATOM 0 HB3 ALA A 835 6.199 0.781 3.757 1.00 0.00 H new ATOM 516 N ILE A 836 7.058 -2.022 4.258 1.00 0.00 N ATOM 517 CA ILE A 836 8.214 -2.902 4.139 1.00 0.00 C ATOM 518 C ILE A 836 7.801 -4.367 4.235 1.00 0.00 C ATOM 519 O ILE A 836 7.846 -5.102 3.249 1.00 0.00 O ATOM 520 CB ILE A 836 9.263 -2.604 5.227 1.00 0.00 C ATOM 521 CG1 ILE A 836 9.698 -1.138 5.158 1.00 0.00 C ATOM 522 CG2 ILE A 836 10.463 -3.526 5.072 1.00 0.00 C ATOM 523 CD1 ILE A 836 10.411 -0.661 6.404 1.00 0.00 C ATOM 0 H ILE A 836 7.019 -1.492 5.128 1.00 0.00 H new ATOM 0 HA ILE A 836 8.655 -2.714 3.160 1.00 0.00 H new ATOM 0 HB ILE A 836 8.814 -2.785 6.204 1.00 0.00 H new ATOM 0 HG12 ILE A 836 10.355 -1.002 4.299 1.00 0.00 H new ATOM 0 HG13 ILE A 836 8.820 -0.514 4.990 1.00 0.00 H new ATOM 0 HG21 ILE A 836 11.196 -3.303 5.848 1.00 0.00 H new ATOM 0 HG22 ILE A 836 10.140 -4.563 5.165 1.00 0.00 H new ATOM 0 HG23 ILE A 836 10.915 -3.373 4.092 1.00 0.00 H new ATOM 0 HD11 ILE A 836 10.690 0.386 6.285 1.00 0.00 H new ATOM 0 HD12 ILE A 836 9.749 -0.765 7.264 1.00 0.00 H new ATOM 0 HD13 ILE A 836 11.308 -1.260 6.562 1.00 0.00 H new ATOM 535 N VAL A 837 7.397 -4.785 5.431 1.00 0.00 N ATOM 536 CA VAL A 837 6.973 -6.162 5.656 1.00 0.00 C ATOM 537 C VAL A 837 6.104 -6.664 4.508 1.00 0.00 C ATOM 538 O VAL A 837 6.170 -7.834 4.132 1.00 0.00 O ATOM 539 CB VAL A 837 6.191 -6.300 6.976 1.00 0.00 C ATOM 540 CG1 VAL A 837 5.762 -7.742 7.194 1.00 0.00 C ATOM 541 CG2 VAL A 837 7.027 -5.800 8.144 1.00 0.00 C ATOM 0 H VAL A 837 7.355 -4.190 6.258 1.00 0.00 H new ATOM 0 HA VAL A 837 7.878 -6.767 5.714 1.00 0.00 H new ATOM 0 HB VAL A 837 5.293 -5.686 6.913 1.00 0.00 H new ATOM 0 HG11 VAL A 837 5.211 -7.820 8.131 1.00 0.00 H new ATOM 0 HG12 VAL A 837 5.123 -8.060 6.370 1.00 0.00 H new ATOM 0 HG13 VAL A 837 6.644 -8.381 7.237 1.00 0.00 H new ATOM 0 HG21 VAL A 837 6.460 -5.905 9.069 1.00 0.00 H new ATOM 0 HG22 VAL A 837 7.944 -6.386 8.212 1.00 0.00 H new ATOM 0 HG23 VAL A 837 7.278 -4.751 7.989 1.00 0.00 H new ATOM 551 N ARG A 838 5.289 -5.770 3.955 1.00 0.00 N ATOM 552 CA ARG A 838 4.406 -6.123 2.851 1.00 0.00 C ATOM 553 C ARG A 838 5.203 -6.362 1.572 1.00 0.00 C ATOM 554 O ARG A 838 5.105 -7.424 0.957 1.00 0.00 O ATOM 555 CB ARG A 838 3.374 -5.016 2.622 1.00 0.00 C ATOM 556 CG ARG A 838 2.306 -4.948 3.700 1.00 0.00 C ATOM 557 CD ARG A 838 1.145 -4.059 3.279 1.00 0.00 C ATOM 558 NE ARG A 838 0.478 -3.450 4.426 1.00 0.00 N ATOM 559 CZ ARG A 838 -0.506 -2.564 4.318 1.00 0.00 C ATOM 560 NH1 ARG A 838 -0.935 -2.187 3.122 1.00 0.00 N ATOM 561 NH2 ARG A 838 -1.063 -2.054 5.409 1.00 0.00 N ATOM 0 H ARG A 838 5.223 -4.797 4.254 1.00 0.00 H new ATOM 0 HA ARG A 838 3.888 -7.045 3.113 1.00 0.00 H new ATOM 0 HB2 ARG A 838 3.888 -4.056 2.571 1.00 0.00 H new ATOM 0 HB3 ARG A 838 2.894 -5.172 1.656 1.00 0.00 H new ATOM 0 HG2 ARG A 838 1.938 -5.952 3.913 1.00 0.00 H new ATOM 0 HG3 ARG A 838 2.743 -4.566 4.623 1.00 0.00 H new ATOM 0 HD2 ARG A 838 1.510 -3.276 2.614 1.00 0.00 H new ATOM 0 HD3 ARG A 838 0.425 -4.648 2.712 1.00 0.00 H new ATOM 0 HE ARG A 838 0.784 -3.719 5.361 1.00 0.00 H new ATOM 0 HH11 ARG A 838 -0.509 -2.577 2.281 1.00 0.00 H new ATOM 0 HH12 ARG A 838 -1.691 -1.507 3.042 1.00 0.00 H new ATOM 0 HH21 ARG A 838 -0.736 -2.342 6.331 1.00 0.00 H new ATOM 0 HH22 ARG A 838 -1.818 -1.374 5.326 1.00 0.00 H new ATOM 575 N ILE A 839 5.991 -5.367 1.177 1.00 0.00 N ATOM 576 CA ILE A 839 6.805 -5.470 -0.027 1.00 0.00 C ATOM 577 C ILE A 839 7.679 -6.720 0.004 1.00 0.00 C ATOM 578 O ILE A 839 7.783 -7.441 -0.987 1.00 0.00 O ATOM 579 CB ILE A 839 7.705 -4.233 -0.206 1.00 0.00 C ATOM 580 CG1 ILE A 839 6.861 -3.008 -0.565 1.00 0.00 C ATOM 581 CG2 ILE A 839 8.755 -4.492 -1.276 1.00 0.00 C ATOM 582 CD1 ILE A 839 7.453 -1.703 -0.082 1.00 0.00 C ATOM 0 H ILE A 839 6.082 -4.481 1.674 1.00 0.00 H new ATOM 0 HA ILE A 839 6.115 -5.533 -0.869 1.00 0.00 H new ATOM 0 HB ILE A 839 8.216 -4.035 0.736 1.00 0.00 H new ATOM 0 HG12 ILE A 839 6.741 -2.964 -1.647 1.00 0.00 H new ATOM 0 HG13 ILE A 839 5.865 -3.126 -0.138 1.00 0.00 H new ATOM 0 HG21 ILE A 839 9.383 -3.609 -1.391 1.00 0.00 H new ATOM 0 HG22 ILE A 839 9.373 -5.341 -0.982 1.00 0.00 H new ATOM 0 HG23 ILE A 839 8.263 -4.713 -2.223 1.00 0.00 H new ATOM 0 HD11 ILE A 839 6.802 -0.879 -0.372 1.00 0.00 H new ATOM 0 HD12 ILE A 839 7.548 -1.726 1.004 1.00 0.00 H new ATOM 0 HD13 ILE A 839 8.437 -1.562 -0.529 1.00 0.00 H new ATOM 594 N MET A 840 8.302 -6.970 1.151 1.00 0.00 N ATOM 595 CA MET A 840 9.164 -8.135 1.313 1.00 0.00 C ATOM 596 C MET A 840 8.393 -9.424 1.043 1.00 0.00 C ATOM 597 O MET A 840 8.851 -10.288 0.296 1.00 0.00 O ATOM 598 CB MET A 840 9.756 -8.167 2.723 1.00 0.00 C ATOM 599 CG MET A 840 10.435 -6.868 3.126 1.00 0.00 C ATOM 600 SD MET A 840 12.036 -6.644 2.327 1.00 0.00 S ATOM 601 CE MET A 840 13.070 -6.264 3.739 1.00 0.00 C ATOM 0 H MET A 840 8.226 -6.382 1.981 1.00 0.00 H new ATOM 0 HA MET A 840 9.975 -8.059 0.588 1.00 0.00 H new ATOM 0 HB2 MET A 840 8.963 -8.389 3.436 1.00 0.00 H new ATOM 0 HB3 MET A 840 10.479 -8.980 2.786 1.00 0.00 H new ATOM 0 HG2 MET A 840 9.786 -6.030 2.872 1.00 0.00 H new ATOM 0 HG3 MET A 840 10.568 -6.852 4.208 1.00 0.00 H new ATOM 0 HE1 MET A 840 13.854 -5.568 3.439 1.00 0.00 H new ATOM 0 HE2 MET A 840 12.463 -5.811 4.523 1.00 0.00 H new ATOM 0 HE3 MET A 840 13.523 -7.181 4.115 1.00 0.00 H new ATOM 611 N LYS A 841 7.221 -9.546 1.657 1.00 0.00 N ATOM 612 CA LYS A 841 6.386 -10.728 1.484 1.00 0.00 C ATOM 613 C LYS A 841 6.213 -11.060 0.005 1.00 0.00 C ATOM 614 O LYS A 841 6.559 -12.154 -0.440 1.00 0.00 O ATOM 615 CB LYS A 841 5.017 -10.510 2.131 1.00 0.00 C ATOM 616 CG LYS A 841 4.020 -11.618 1.836 1.00 0.00 C ATOM 617 CD LYS A 841 2.916 -11.667 2.878 1.00 0.00 C ATOM 618 CE LYS A 841 2.048 -12.905 2.713 1.00 0.00 C ATOM 619 NZ LYS A 841 0.660 -12.679 3.205 1.00 0.00 N ATOM 0 H LYS A 841 6.828 -8.840 2.279 1.00 0.00 H new ATOM 0 HA LYS A 841 6.882 -11.567 1.972 1.00 0.00 H new ATOM 0 HB2 LYS A 841 5.144 -10.425 3.210 1.00 0.00 H new ATOM 0 HB3 LYS A 841 4.607 -9.562 1.783 1.00 0.00 H new ATOM 0 HG2 LYS A 841 3.584 -11.463 0.849 1.00 0.00 H new ATOM 0 HG3 LYS A 841 4.538 -12.577 1.808 1.00 0.00 H new ATOM 0 HD2 LYS A 841 3.355 -11.660 3.876 1.00 0.00 H new ATOM 0 HD3 LYS A 841 2.297 -10.774 2.796 1.00 0.00 H new ATOM 0 HE2 LYS A 841 2.019 -13.190 1.661 1.00 0.00 H new ATOM 0 HE3 LYS A 841 2.495 -13.737 3.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 0.100 -13.546 3.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 0.686 -12.431 4.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 0.224 -11.902 2.669 1.00 0.00 H new ATOM 633 N MET A 842 5.677 -10.107 -0.752 1.00 0.00 N ATOM 634 CA MET A 842 5.462 -10.299 -2.181 1.00 0.00 C ATOM 635 C MET A 842 6.765 -10.666 -2.883 1.00 0.00 C ATOM 636 O MET A 842 6.781 -11.509 -3.781 1.00 0.00 O ATOM 637 CB MET A 842 4.873 -9.031 -2.804 1.00 0.00 C ATOM 638 CG MET A 842 3.442 -8.752 -2.377 1.00 0.00 C ATOM 639 SD MET A 842 2.286 -10.007 -2.961 1.00 0.00 S ATOM 640 CE MET A 842 0.998 -8.979 -3.665 1.00 0.00 C ATOM 0 H MET A 842 5.384 -9.196 -0.400 1.00 0.00 H new ATOM 0 HA MET A 842 4.757 -11.121 -2.310 1.00 0.00 H new ATOM 0 HB2 MET A 842 5.497 -8.179 -2.533 1.00 0.00 H new ATOM 0 HB3 MET A 842 4.909 -9.119 -3.890 1.00 0.00 H new ATOM 0 HG2 MET A 842 3.395 -8.699 -1.289 1.00 0.00 H new ATOM 0 HG3 MET A 842 3.137 -7.777 -2.757 1.00 0.00 H new ATOM 0 HE1 MET A 842 0.208 -9.612 -4.069 1.00 0.00 H new ATOM 0 HE2 MET A 842 0.585 -8.332 -2.891 1.00 0.00 H new ATOM 0 HE3 MET A 842 1.417 -8.367 -4.464 1.00 0.00 H new ATOM 650 N ARG A 843 7.855 -10.029 -2.470 1.00 0.00 N ATOM 651 CA ARG A 843 9.163 -10.288 -3.060 1.00 0.00 C ATOM 652 C ARG A 843 10.059 -11.047 -2.086 1.00 0.00 C ATOM 653 O ARG A 843 10.746 -10.446 -1.260 1.00 0.00 O ATOM 654 CB ARG A 843 9.832 -8.974 -3.467 1.00 0.00 C ATOM 655 CG ARG A 843 8.919 -8.041 -4.245 1.00 0.00 C ATOM 656 CD ARG A 843 8.840 -8.435 -5.712 1.00 0.00 C ATOM 657 NE ARG A 843 10.148 -8.395 -6.361 1.00 0.00 N ATOM 658 CZ ARG A 843 10.325 -8.547 -7.668 1.00 0.00 C ATOM 659 NH1 ARG A 843 9.283 -8.748 -8.463 1.00 0.00 N ATOM 660 NH2 ARG A 843 11.547 -8.498 -8.184 1.00 0.00 N ATOM 0 H ARG A 843 7.859 -9.329 -1.728 1.00 0.00 H new ATOM 0 HA ARG A 843 9.017 -10.904 -3.947 1.00 0.00 H new ATOM 0 HB2 ARG A 843 10.182 -8.462 -2.571 1.00 0.00 H new ATOM 0 HB3 ARG A 843 10.711 -9.196 -4.072 1.00 0.00 H new ATOM 0 HG2 ARG A 843 7.921 -8.059 -3.808 1.00 0.00 H new ATOM 0 HG3 ARG A 843 9.285 -7.018 -4.161 1.00 0.00 H new ATOM 0 HD2 ARG A 843 8.424 -9.439 -5.796 1.00 0.00 H new ATOM 0 HD3 ARG A 843 8.157 -7.763 -6.232 1.00 0.00 H new ATOM 0 HE ARG A 843 10.971 -8.242 -5.778 1.00 0.00 H new ATOM 0 HH11 ARG A 843 8.342 -8.786 -8.071 1.00 0.00 H new ATOM 0 HH12 ARG A 843 9.422 -8.864 -9.467 1.00 0.00 H new ATOM 0 HH21 ARG A 843 12.351 -8.343 -7.576 1.00 0.00 H new ATOM 0 HH22 ARG A 843 11.682 -8.615 -9.188 1.00 0.00 H new ATOM 674 N LYS A 844 10.045 -12.372 -2.187 1.00 0.00 N ATOM 675 CA LYS A 844 10.855 -13.215 -1.316 1.00 0.00 C ATOM 676 C LYS A 844 12.189 -12.545 -0.998 1.00 0.00 C ATOM 677 O LYS A 844 12.394 -12.038 0.105 1.00 0.00 O ATOM 678 CB LYS A 844 11.100 -14.576 -1.972 1.00 0.00 C ATOM 679 CG LYS A 844 10.022 -15.601 -1.666 1.00 0.00 C ATOM 680 CD LYS A 844 8.668 -15.162 -2.198 1.00 0.00 C ATOM 681 CE LYS A 844 7.704 -16.334 -2.305 1.00 0.00 C ATOM 682 NZ LYS A 844 7.032 -16.619 -1.007 1.00 0.00 N ATOM 0 H LYS A 844 9.481 -12.885 -2.864 1.00 0.00 H new ATOM 0 HA LYS A 844 10.309 -13.361 -0.384 1.00 0.00 H new ATOM 0 HB2 LYS A 844 11.167 -14.443 -3.052 1.00 0.00 H new ATOM 0 HB3 LYS A 844 12.063 -14.963 -1.638 1.00 0.00 H new ATOM 0 HG2 LYS A 844 10.294 -16.560 -2.108 1.00 0.00 H new ATOM 0 HG3 LYS A 844 9.959 -15.753 -0.589 1.00 0.00 H new ATOM 0 HD2 LYS A 844 8.247 -14.402 -1.540 1.00 0.00 H new ATOM 0 HD3 LYS A 844 8.793 -14.702 -3.178 1.00 0.00 H new ATOM 0 HE2 LYS A 844 6.952 -16.118 -3.064 1.00 0.00 H new ATOM 0 HE3 LYS A 844 8.245 -17.220 -2.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 844 6.383 -17.424 -1.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 844 7.748 -16.850 -0.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 844 6.495 -15.782 -0.703 1.00 0.00 H new ATOM 696 N THR A 845 13.093 -12.546 -1.972 1.00 0.00 N ATOM 697 CA THR A 845 14.406 -11.938 -1.796 1.00 0.00 C ATOM 698 C THR A 845 14.481 -10.581 -2.487 1.00 0.00 C ATOM 699 O THR A 845 14.255 -10.474 -3.693 1.00 0.00 O ATOM 700 CB THR A 845 15.523 -12.844 -2.348 1.00 0.00 C ATOM 701 OG1 THR A 845 15.481 -14.121 -1.701 1.00 0.00 O ATOM 702 CG2 THR A 845 16.889 -12.208 -2.138 1.00 0.00 C ATOM 0 H THR A 845 12.940 -12.961 -2.891 1.00 0.00 H new ATOM 0 HA THR A 845 14.552 -11.806 -0.724 1.00 0.00 H new ATOM 0 HB THR A 845 15.361 -12.973 -3.418 1.00 0.00 H new ATOM 0 HG1 THR A 845 16.097 -14.122 -0.939 1.00 0.00 H new ATOM 0 HG21 THR A 845 17.662 -12.866 -2.536 1.00 0.00 H new ATOM 0 HG22 THR A 845 16.927 -11.249 -2.655 1.00 0.00 H new ATOM 0 HG23 THR A 845 17.058 -12.052 -1.072 1.00 0.00 H new ATOM 710 N LEU A 846 14.800 -9.547 -1.716 1.00 0.00 N ATOM 711 CA LEU A 846 14.906 -8.196 -2.255 1.00 0.00 C ATOM 712 C LEU A 846 16.123 -7.475 -1.683 1.00 0.00 C ATOM 713 O LEU A 846 16.655 -7.864 -0.643 1.00 0.00 O ATOM 714 CB LEU A 846 13.636 -7.401 -1.944 1.00 0.00 C ATOM 715 CG LEU A 846 13.284 -6.286 -2.930 1.00 0.00 C ATOM 716 CD1 LEU A 846 12.765 -6.871 -4.234 1.00 0.00 C ATOM 717 CD2 LEU A 846 12.259 -5.341 -2.322 1.00 0.00 C ATOM 0 H LEU A 846 14.990 -9.618 -0.716 1.00 0.00 H new ATOM 0 HA LEU A 846 15.026 -8.271 -3.336 1.00 0.00 H new ATOM 0 HB2 LEU A 846 12.798 -8.096 -1.899 1.00 0.00 H new ATOM 0 HB3 LEU A 846 13.740 -6.962 -0.952 1.00 0.00 H new ATOM 0 HG LEU A 846 14.189 -5.718 -3.145 1.00 0.00 H new ATOM 0 HD11 LEU A 846 12.520 -6.063 -4.923 1.00 0.00 H new ATOM 0 HD12 LEU A 846 13.531 -7.507 -4.678 1.00 0.00 H new ATOM 0 HD13 LEU A 846 11.872 -7.463 -4.037 1.00 0.00 H new ATOM 0 HD21 LEU A 846 12.020 -4.554 -3.037 1.00 0.00 H new ATOM 0 HD22 LEU A 846 11.353 -5.896 -2.077 1.00 0.00 H new ATOM 0 HD23 LEU A 846 12.668 -4.895 -1.415 1.00 0.00 H new ATOM 729 N SER A 847 16.558 -6.423 -2.369 1.00 0.00 N ATOM 730 CA SER A 847 17.713 -5.649 -1.930 1.00 0.00 C ATOM 731 C SER A 847 17.274 -4.365 -1.233 1.00 0.00 C ATOM 732 O SER A 847 16.089 -4.029 -1.215 1.00 0.00 O ATOM 733 CB SER A 847 18.612 -5.314 -3.123 1.00 0.00 C ATOM 734 OG SER A 847 19.193 -6.485 -3.668 1.00 0.00 O ATOM 0 H SER A 847 16.128 -6.087 -3.231 1.00 0.00 H new ATOM 0 HA SER A 847 18.275 -6.254 -1.218 1.00 0.00 H new ATOM 0 HB2 SER A 847 18.029 -4.803 -3.889 1.00 0.00 H new ATOM 0 HB3 SER A 847 19.398 -4.627 -2.809 1.00 0.00 H new ATOM 0 HG SER A 847 19.761 -6.244 -4.429 1.00 0.00 H new ATOM 740 N HIS A 848 18.237 -3.651 -0.660 1.00 0.00 N ATOM 741 CA HIS A 848 17.951 -2.403 0.039 1.00 0.00 C ATOM 742 C HIS A 848 17.346 -1.375 -0.912 1.00 0.00 C ATOM 743 O HIS A 848 16.241 -0.882 -0.687 1.00 0.00 O ATOM 744 CB HIS A 848 19.227 -1.843 0.670 1.00 0.00 C ATOM 745 CG HIS A 848 19.016 -0.554 1.403 1.00 0.00 C ATOM 746 ND1 HIS A 848 18.989 -0.468 2.779 1.00 0.00 N ATOM 747 CD2 HIS A 848 18.825 0.704 0.945 1.00 0.00 C ATOM 748 CE1 HIS A 848 18.787 0.788 3.135 1.00 0.00 C ATOM 749 NE2 HIS A 848 18.685 1.520 2.040 1.00 0.00 N ATOM 0 H HIS A 848 19.222 -3.915 -0.666 1.00 0.00 H new ATOM 0 HA HIS A 848 17.228 -2.614 0.827 1.00 0.00 H new ATOM 0 HB2 HIS A 848 19.636 -2.581 1.360 1.00 0.00 H new ATOM 0 HB3 HIS A 848 19.972 -1.690 -0.111 1.00 0.00 H new ATOM 0 HD2 HIS A 848 18.789 1.010 -0.090 1.00 0.00 H new ATOM 0 HE1 HIS A 848 18.717 1.154 4.149 1.00 0.00 H new ATOM 0 HE2 HIS A 848 18.528 2.527 2.013 1.00 0.00 H new ATOM 757 N ASN A 849 18.078 -1.055 -1.974 1.00 0.00 N ATOM 758 CA ASN A 849 17.614 -0.084 -2.958 1.00 0.00 C ATOM 759 C ASN A 849 16.206 -0.426 -3.438 1.00 0.00 C ATOM 760 O ASN A 849 15.345 0.449 -3.544 1.00 0.00 O ATOM 761 CB ASN A 849 18.573 -0.036 -4.149 1.00 0.00 C ATOM 762 CG ASN A 849 17.912 0.507 -5.402 1.00 0.00 C ATOM 763 OD1 ASN A 849 17.414 1.633 -5.417 1.00 0.00 O ATOM 764 ND2 ASN A 849 17.905 -0.294 -6.461 1.00 0.00 N ATOM 0 H ASN A 849 18.995 -1.454 -2.175 1.00 0.00 H new ATOM 0 HA ASN A 849 17.588 0.896 -2.481 1.00 0.00 H new ATOM 0 HB2 ASN A 849 19.432 0.586 -3.896 1.00 0.00 H new ATOM 0 HB3 ASN A 849 18.953 -1.038 -4.347 1.00 0.00 H new ATOM 0 HD21 ASN A 849 17.475 0.016 -7.332 1.00 0.00 H new ATOM 0 HD22 ASN A 849 18.330 -1.220 -6.403 1.00 0.00 H new ATOM 771 N LEU A 850 15.979 -1.703 -3.725 1.00 0.00 N ATOM 772 CA LEU A 850 14.676 -2.162 -4.192 1.00 0.00 C ATOM 773 C LEU A 850 13.602 -1.916 -3.138 1.00 0.00 C ATOM 774 O LEU A 850 12.458 -1.597 -3.464 1.00 0.00 O ATOM 775 CB LEU A 850 14.733 -3.650 -4.542 1.00 0.00 C ATOM 776 CG LEU A 850 15.117 -3.986 -5.984 1.00 0.00 C ATOM 777 CD1 LEU A 850 13.960 -3.693 -6.927 1.00 0.00 C ATOM 778 CD2 LEU A 850 16.357 -3.209 -6.400 1.00 0.00 C ATOM 0 H LEU A 850 16.680 -2.439 -3.642 1.00 0.00 H new ATOM 0 HA LEU A 850 14.417 -1.595 -5.086 1.00 0.00 H new ATOM 0 HB2 LEU A 850 15.447 -4.133 -3.875 1.00 0.00 H new ATOM 0 HB3 LEU A 850 13.757 -4.089 -4.335 1.00 0.00 H new ATOM 0 HG LEU A 850 15.344 -5.051 -6.041 1.00 0.00 H new ATOM 0 HD11 LEU A 850 14.252 -3.938 -7.948 1.00 0.00 H new ATOM 0 HD12 LEU A 850 13.097 -4.295 -6.642 1.00 0.00 H new ATOM 0 HD13 LEU A 850 13.701 -2.636 -6.868 1.00 0.00 H new ATOM 0 HD21 LEU A 850 16.616 -3.460 -7.429 1.00 0.00 H new ATOM 0 HD22 LEU A 850 16.158 -2.140 -6.327 1.00 0.00 H new ATOM 0 HD23 LEU A 850 17.187 -3.469 -5.743 1.00 0.00 H new ATOM 790 N LEU A 851 13.977 -2.065 -1.872 1.00 0.00 N ATOM 791 CA LEU A 851 13.047 -1.858 -0.768 1.00 0.00 C ATOM 792 C LEU A 851 12.632 -0.393 -0.674 1.00 0.00 C ATOM 793 O LEU A 851 11.479 -0.046 -0.926 1.00 0.00 O ATOM 794 CB LEU A 851 13.680 -2.307 0.550 1.00 0.00 C ATOM 795 CG LEU A 851 12.770 -2.272 1.778 1.00 0.00 C ATOM 796 CD1 LEU A 851 11.608 -3.238 1.608 1.00 0.00 C ATOM 797 CD2 LEU A 851 13.560 -2.601 3.037 1.00 0.00 C ATOM 0 H LEU A 851 14.920 -2.329 -1.585 1.00 0.00 H new ATOM 0 HA LEU A 851 12.157 -2.457 -0.958 1.00 0.00 H new ATOM 0 HB2 LEU A 851 14.048 -3.325 0.425 1.00 0.00 H new ATOM 0 HB3 LEU A 851 14.547 -1.676 0.747 1.00 0.00 H new ATOM 0 HG LEU A 851 12.367 -1.264 1.879 1.00 0.00 H new ATOM 0 HD11 LEU A 851 10.971 -3.200 2.492 1.00 0.00 H new ATOM 0 HD12 LEU A 851 11.027 -2.957 0.729 1.00 0.00 H new ATOM 0 HD13 LEU A 851 11.992 -4.250 1.481 1.00 0.00 H new ATOM 0 HD21 LEU A 851 12.896 -2.571 3.901 1.00 0.00 H new ATOM 0 HD22 LEU A 851 13.992 -3.597 2.945 1.00 0.00 H new ATOM 0 HD23 LEU A 851 14.358 -1.870 3.167 1.00 0.00 H new ATOM 809 N VAL A 852 13.582 0.463 -0.311 1.00 0.00 N ATOM 810 CA VAL A 852 13.317 1.892 -0.186 1.00 0.00 C ATOM 811 C VAL A 852 12.502 2.404 -1.368 1.00 0.00 C ATOM 812 O VAL A 852 11.600 3.226 -1.203 1.00 0.00 O ATOM 813 CB VAL A 852 14.625 2.699 -0.090 1.00 0.00 C ATOM 814 CG1 VAL A 852 15.550 2.095 0.955 1.00 0.00 C ATOM 815 CG2 VAL A 852 15.311 2.764 -1.447 1.00 0.00 C ATOM 0 H VAL A 852 14.542 0.192 -0.098 1.00 0.00 H new ATOM 0 HA VAL A 852 12.746 2.030 0.732 1.00 0.00 H new ATOM 0 HB VAL A 852 14.382 3.716 0.219 1.00 0.00 H new ATOM 0 HG11 VAL A 852 16.469 2.679 1.008 1.00 0.00 H new ATOM 0 HG12 VAL A 852 15.057 2.105 1.927 1.00 0.00 H new ATOM 0 HG13 VAL A 852 15.788 1.068 0.680 1.00 0.00 H new ATOM 0 HG21 VAL A 852 16.234 3.338 -1.361 1.00 0.00 H new ATOM 0 HG22 VAL A 852 15.542 1.754 -1.787 1.00 0.00 H new ATOM 0 HG23 VAL A 852 14.649 3.246 -2.166 1.00 0.00 H new ATOM 825 N SER A 853 12.824 1.913 -2.560 1.00 0.00 N ATOM 826 CA SER A 853 12.124 2.324 -3.771 1.00 0.00 C ATOM 827 C SER A 853 10.637 1.994 -3.677 1.00 0.00 C ATOM 828 O SER A 853 9.787 2.875 -3.800 1.00 0.00 O ATOM 829 CB SER A 853 12.733 1.638 -4.996 1.00 0.00 C ATOM 830 OG SER A 853 11.966 1.895 -6.159 1.00 0.00 O ATOM 0 H SER A 853 13.566 1.230 -2.713 1.00 0.00 H new ATOM 0 HA SER A 853 12.234 3.403 -3.876 1.00 0.00 H new ATOM 0 HB2 SER A 853 13.754 1.991 -5.144 1.00 0.00 H new ATOM 0 HB3 SER A 853 12.789 0.563 -4.824 1.00 0.00 H new ATOM 0 HG SER A 853 12.377 1.447 -6.928 1.00 0.00 H new ATOM 836 N GLU A 854 10.333 0.719 -3.458 1.00 0.00 N ATOM 837 CA GLU A 854 8.949 0.272 -3.348 1.00 0.00 C ATOM 838 C GLU A 854 8.233 0.993 -2.209 1.00 0.00 C ATOM 839 O GLU A 854 7.158 1.563 -2.399 1.00 0.00 O ATOM 840 CB GLU A 854 8.894 -1.240 -3.124 1.00 0.00 C ATOM 841 CG GLU A 854 9.147 -2.052 -4.383 1.00 0.00 C ATOM 842 CD GLU A 854 8.370 -1.534 -5.577 1.00 0.00 C ATOM 843 OE1 GLU A 854 7.195 -1.151 -5.400 1.00 0.00 O ATOM 844 OE2 GLU A 854 8.938 -1.511 -6.689 1.00 0.00 O ATOM 0 H GLU A 854 11.026 -0.022 -3.353 1.00 0.00 H new ATOM 0 HA GLU A 854 8.442 0.512 -4.282 1.00 0.00 H new ATOM 0 HB2 GLU A 854 9.632 -1.514 -2.371 1.00 0.00 H new ATOM 0 HB3 GLU A 854 7.916 -1.504 -2.722 1.00 0.00 H new ATOM 0 HG2 GLU A 854 10.212 -2.036 -4.613 1.00 0.00 H new ATOM 0 HG3 GLU A 854 8.875 -3.092 -4.201 1.00 0.00 H new ATOM 851 N VAL A 855 8.838 0.963 -1.026 1.00 0.00 N ATOM 852 CA VAL A 855 8.260 1.614 0.144 1.00 0.00 C ATOM 853 C VAL A 855 7.802 3.030 -0.185 1.00 0.00 C ATOM 854 O VAL A 855 6.639 3.381 0.019 1.00 0.00 O ATOM 855 CB VAL A 855 9.265 1.669 1.310 1.00 0.00 C ATOM 856 CG1 VAL A 855 8.794 2.646 2.376 1.00 0.00 C ATOM 857 CG2 VAL A 855 9.472 0.282 1.900 1.00 0.00 C ATOM 0 H VAL A 855 9.728 0.495 -0.852 1.00 0.00 H new ATOM 0 HA VAL A 855 7.399 1.017 0.445 1.00 0.00 H new ATOM 0 HB VAL A 855 10.222 2.022 0.926 1.00 0.00 H new ATOM 0 HG11 VAL A 855 9.517 2.671 3.191 1.00 0.00 H new ATOM 0 HG12 VAL A 855 8.702 3.642 1.942 1.00 0.00 H new ATOM 0 HG13 VAL A 855 7.825 2.327 2.760 1.00 0.00 H new ATOM 0 HG21 VAL A 855 10.185 0.339 2.723 1.00 0.00 H new ATOM 0 HG22 VAL A 855 8.521 -0.102 2.270 1.00 0.00 H new ATOM 0 HG23 VAL A 855 9.858 -0.387 1.131 1.00 0.00 H new ATOM 867 N TYR A 856 8.723 3.840 -0.695 1.00 0.00 N ATOM 868 CA TYR A 856 8.414 5.220 -1.050 1.00 0.00 C ATOM 869 C TYR A 856 7.207 5.286 -1.981 1.00 0.00 C ATOM 870 O TYR A 856 6.319 6.119 -1.806 1.00 0.00 O ATOM 871 CB TYR A 856 9.623 5.879 -1.717 1.00 0.00 C ATOM 872 CG TYR A 856 10.781 6.115 -0.773 1.00 0.00 C ATOM 873 CD1 TYR A 856 10.573 6.646 0.494 1.00 0.00 C ATOM 874 CD2 TYR A 856 12.082 5.806 -1.149 1.00 0.00 C ATOM 875 CE1 TYR A 856 11.628 6.864 1.358 1.00 0.00 C ATOM 876 CE2 TYR A 856 13.143 6.019 -0.290 1.00 0.00 C ATOM 877 CZ TYR A 856 12.911 6.548 0.962 1.00 0.00 C ATOM 878 OH TYR A 856 13.965 6.762 1.821 1.00 0.00 O ATOM 0 H TYR A 856 9.689 3.565 -0.872 1.00 0.00 H new ATOM 0 HA TYR A 856 8.173 5.759 -0.134 1.00 0.00 H new ATOM 0 HB2 TYR A 856 9.960 5.251 -2.542 1.00 0.00 H new ATOM 0 HB3 TYR A 856 9.316 6.832 -2.147 1.00 0.00 H new ATOM 0 HD1 TYR A 856 9.570 6.892 0.808 1.00 0.00 H new ATOM 0 HD2 TYR A 856 12.267 5.392 -2.129 1.00 0.00 H new ATOM 0 HE1 TYR A 856 11.449 7.280 2.339 1.00 0.00 H new ATOM 0 HE2 TYR A 856 14.149 5.773 -0.598 1.00 0.00 H new ATOM 0 HH TYR A 856 14.676 6.114 1.634 1.00 0.00 H new ATOM 888 N ASN A 857 7.183 4.400 -2.972 1.00 0.00 N ATOM 889 CA ASN A 857 6.086 4.356 -3.932 1.00 0.00 C ATOM 890 C ASN A 857 4.753 4.131 -3.224 1.00 0.00 C ATOM 891 O ASN A 857 3.717 4.632 -3.659 1.00 0.00 O ATOM 892 CB ASN A 857 6.324 3.249 -4.960 1.00 0.00 C ATOM 893 CG ASN A 857 5.076 2.920 -5.756 1.00 0.00 C ATOM 894 OD1 ASN A 857 4.399 3.813 -6.266 1.00 0.00 O ATOM 895 ND2 ASN A 857 4.765 1.634 -5.864 1.00 0.00 N ATOM 0 H ASN A 857 7.911 3.703 -3.131 1.00 0.00 H new ATOM 0 HA ASN A 857 6.047 5.316 -4.446 1.00 0.00 H new ATOM 0 HB2 ASN A 857 7.117 3.555 -5.643 1.00 0.00 H new ATOM 0 HB3 ASN A 857 6.673 2.352 -4.449 1.00 0.00 H new ATOM 0 HD21 ASN A 857 3.936 1.352 -6.386 1.00 0.00 H new ATOM 0 HD22 ASN A 857 5.356 0.928 -5.425 1.00 0.00 H new ATOM 902 N GLN A 858 4.790 3.375 -2.132 1.00 0.00 N ATOM 903 CA GLN A 858 3.585 3.083 -1.364 1.00 0.00 C ATOM 904 C GLN A 858 3.208 4.263 -0.473 1.00 0.00 C ATOM 905 O GLN A 858 2.027 4.549 -0.270 1.00 0.00 O ATOM 906 CB GLN A 858 3.788 1.830 -0.512 1.00 0.00 C ATOM 907 CG GLN A 858 3.799 0.541 -1.318 1.00 0.00 C ATOM 908 CD GLN A 858 2.587 0.406 -2.219 1.00 0.00 C ATOM 909 OE1 GLN A 858 1.515 0.933 -1.920 1.00 0.00 O ATOM 910 NE2 GLN A 858 2.752 -0.302 -3.330 1.00 0.00 N ATOM 0 H GLN A 858 5.641 2.954 -1.759 1.00 0.00 H new ATOM 0 HA GLN A 858 2.771 2.907 -2.067 1.00 0.00 H new ATOM 0 HB2 GLN A 858 4.730 1.918 0.030 1.00 0.00 H new ATOM 0 HB3 GLN A 858 2.995 1.776 0.234 1.00 0.00 H new ATOM 0 HG2 GLN A 858 4.704 0.504 -1.925 1.00 0.00 H new ATOM 0 HG3 GLN A 858 3.837 -0.309 -0.637 1.00 0.00 H new ATOM 0 HE21 GLN A 858 3.658 -0.721 -3.538 1.00 0.00 H new ATOM 0 HE22 GLN A 858 1.972 -0.427 -3.976 1.00 0.00 H new ATOM 919 N LEU A 859 4.218 4.944 0.056 1.00 0.00 N ATOM 920 CA LEU A 859 3.993 6.093 0.926 1.00 0.00 C ATOM 921 C LEU A 859 3.792 7.365 0.108 1.00 0.00 C ATOM 922 O LEU A 859 4.480 7.590 -0.888 1.00 0.00 O ATOM 923 CB LEU A 859 5.172 6.271 1.884 1.00 0.00 C ATOM 924 CG LEU A 859 5.566 5.039 2.699 1.00 0.00 C ATOM 925 CD1 LEU A 859 6.436 5.437 3.882 1.00 0.00 C ATOM 926 CD2 LEU A 859 4.327 4.294 3.174 1.00 0.00 C ATOM 0 H LEU A 859 5.201 4.721 -0.102 1.00 0.00 H new ATOM 0 HA LEU A 859 3.088 5.908 1.504 1.00 0.00 H new ATOM 0 HB2 LEU A 859 6.039 6.592 1.306 1.00 0.00 H new ATOM 0 HB3 LEU A 859 4.933 7.079 2.576 1.00 0.00 H new ATOM 0 HG LEU A 859 6.143 4.373 2.057 1.00 0.00 H new ATOM 0 HD11 LEU A 859 6.707 4.547 4.450 1.00 0.00 H new ATOM 0 HD12 LEU A 859 7.341 5.925 3.520 1.00 0.00 H new ATOM 0 HD13 LEU A 859 5.885 6.124 4.524 1.00 0.00 H new ATOM 0 HD21 LEU A 859 4.627 3.420 3.752 1.00 0.00 H new ATOM 0 HD22 LEU A 859 3.724 4.953 3.799 1.00 0.00 H new ATOM 0 HD23 LEU A 859 3.742 3.975 2.312 1.00 0.00 H new ATOM 938 N LYS A 860 2.847 8.194 0.536 1.00 0.00 N ATOM 939 CA LYS A 860 2.556 9.445 -0.154 1.00 0.00 C ATOM 940 C LYS A 860 3.494 10.554 0.313 1.00 0.00 C ATOM 941 O LYS A 860 3.643 11.577 -0.356 1.00 0.00 O ATOM 942 CB LYS A 860 1.102 9.858 0.086 1.00 0.00 C ATOM 943 CG LYS A 860 0.120 9.215 -0.878 1.00 0.00 C ATOM 944 CD LYS A 860 -1.090 10.102 -1.117 1.00 0.00 C ATOM 945 CE LYS A 860 -2.125 9.410 -1.990 1.00 0.00 C ATOM 946 NZ LYS A 860 -1.758 9.460 -3.432 1.00 0.00 N ATOM 0 H LYS A 860 2.269 8.022 1.358 1.00 0.00 H new ATOM 0 HA LYS A 860 2.711 9.287 -1.221 1.00 0.00 H new ATOM 0 HB2 LYS A 860 0.822 9.595 1.106 1.00 0.00 H new ATOM 0 HB3 LYS A 860 1.023 10.942 0.003 1.00 0.00 H new ATOM 0 HG2 LYS A 860 0.618 9.015 -1.827 1.00 0.00 H new ATOM 0 HG3 LYS A 860 -0.205 8.254 -0.480 1.00 0.00 H new ATOM 0 HD2 LYS A 860 -1.540 10.371 -0.161 1.00 0.00 H new ATOM 0 HD3 LYS A 860 -0.774 11.030 -1.593 1.00 0.00 H new ATOM 0 HE2 LYS A 860 -2.227 8.371 -1.677 1.00 0.00 H new ATOM 0 HE3 LYS A 860 -3.096 9.883 -1.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 860 -2.489 8.978 -3.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 860 -1.685 10.451 -3.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 860 -0.843 8.986 -3.574 1.00 0.00 H new ATOM 960 N PHE A 861 4.125 10.344 1.463 1.00 0.00 N ATOM 961 CA PHE A 861 5.049 11.326 2.019 1.00 0.00 C ATOM 962 C PHE A 861 6.459 10.751 2.117 1.00 0.00 C ATOM 963 O PHE A 861 6.656 9.557 2.342 1.00 0.00 O ATOM 964 CB PHE A 861 4.574 11.780 3.401 1.00 0.00 C ATOM 965 CG PHE A 861 4.445 10.657 4.389 1.00 0.00 C ATOM 966 CD1 PHE A 861 3.275 9.918 4.470 1.00 0.00 C ATOM 967 CD2 PHE A 861 5.493 10.339 5.237 1.00 0.00 C ATOM 968 CE1 PHE A 861 3.154 8.885 5.379 1.00 0.00 C ATOM 969 CE2 PHE A 861 5.378 9.306 6.149 1.00 0.00 C ATOM 970 CZ PHE A 861 4.207 8.577 6.219 1.00 0.00 C ATOM 0 H PHE A 861 4.014 9.502 2.029 1.00 0.00 H new ATOM 0 HA PHE A 861 5.072 12.186 1.350 1.00 0.00 H new ATOM 0 HB2 PHE A 861 5.273 12.519 3.792 1.00 0.00 H new ATOM 0 HB3 PHE A 861 3.609 12.277 3.300 1.00 0.00 H new ATOM 0 HD1 PHE A 861 2.449 10.153 3.815 1.00 0.00 H new ATOM 0 HD2 PHE A 861 6.411 10.905 5.185 1.00 0.00 H new ATOM 0 HE1 PHE A 861 2.236 8.318 5.433 1.00 0.00 H new ATOM 0 HE2 PHE A 861 6.202 9.070 6.805 1.00 0.00 H new ATOM 0 HZ PHE A 861 4.115 7.768 6.929 1.00 0.00 H new ATOM 980 N PRO A 862 7.465 11.621 1.943 1.00 0.00 N ATOM 981 CA PRO A 862 8.875 11.224 2.008 1.00 0.00 C ATOM 982 C PRO A 862 9.309 10.853 3.422 1.00 0.00 C ATOM 983 O PRO A 862 8.896 11.486 4.394 1.00 0.00 O ATOM 984 CB PRO A 862 9.618 12.474 1.530 1.00 0.00 C ATOM 985 CG PRO A 862 8.696 13.603 1.839 1.00 0.00 C ATOM 986 CD PRO A 862 7.304 13.059 1.671 1.00 0.00 C ATOM 0 HA PRO A 862 9.076 10.337 1.408 1.00 0.00 H new ATOM 0 HB2 PRO A 862 10.572 12.589 2.045 1.00 0.00 H new ATOM 0 HB3 PRO A 862 9.836 12.421 0.463 1.00 0.00 H new ATOM 0 HG2 PRO A 862 8.852 13.968 2.854 1.00 0.00 H new ATOM 0 HG3 PRO A 862 8.870 14.444 1.168 1.00 0.00 H new ATOM 0 HD2 PRO A 862 6.604 13.524 2.366 1.00 0.00 H new ATOM 0 HD3 PRO A 862 6.921 13.238 0.666 1.00 0.00 H new ATOM 994 N VAL A 863 10.144 9.825 3.529 1.00 0.00 N ATOM 995 CA VAL A 863 10.636 9.372 4.825 1.00 0.00 C ATOM 996 C VAL A 863 12.156 9.463 4.899 1.00 0.00 C ATOM 997 O VAL A 863 12.859 9.055 3.974 1.00 0.00 O ATOM 998 CB VAL A 863 10.205 7.921 5.112 1.00 0.00 C ATOM 999 CG1 VAL A 863 10.813 7.432 6.418 1.00 0.00 C ATOM 1000 CG2 VAL A 863 8.688 7.813 5.147 1.00 0.00 C ATOM 0 H VAL A 863 10.494 9.290 2.734 1.00 0.00 H new ATOM 0 HA VAL A 863 10.199 10.029 5.577 1.00 0.00 H new ATOM 0 HB VAL A 863 10.573 7.285 4.307 1.00 0.00 H new ATOM 0 HG11 VAL A 863 10.498 6.405 6.604 1.00 0.00 H new ATOM 0 HG12 VAL A 863 11.900 7.471 6.350 1.00 0.00 H new ATOM 0 HG13 VAL A 863 10.477 8.069 7.236 1.00 0.00 H new ATOM 0 HG21 VAL A 863 8.401 6.781 5.351 1.00 0.00 H new ATOM 0 HG22 VAL A 863 8.295 8.460 5.931 1.00 0.00 H new ATOM 0 HG23 VAL A 863 8.279 8.120 4.184 1.00 0.00 H new ATOM 1010 N LYS A 864 12.658 10.000 6.006 1.00 0.00 N ATOM 1011 CA LYS A 864 14.095 10.144 6.203 1.00 0.00 C ATOM 1012 C LYS A 864 14.777 8.781 6.249 1.00 0.00 C ATOM 1013 O LYS A 864 14.162 7.762 6.564 1.00 0.00 O ATOM 1014 CB LYS A 864 14.379 10.912 7.496 1.00 0.00 C ATOM 1015 CG LYS A 864 14.146 12.408 7.379 1.00 0.00 C ATOM 1016 CD LYS A 864 15.400 13.132 6.918 1.00 0.00 C ATOM 1017 CE LYS A 864 15.238 14.642 7.014 1.00 0.00 C ATOM 1018 NZ LYS A 864 16.545 15.347 6.906 1.00 0.00 N ATOM 0 H LYS A 864 12.090 10.343 6.781 1.00 0.00 H new ATOM 0 HA LYS A 864 14.498 10.704 5.359 1.00 0.00 H new ATOM 0 HB2 LYS A 864 13.747 10.515 8.290 1.00 0.00 H new ATOM 0 HB3 LYS A 864 15.413 10.736 7.794 1.00 0.00 H new ATOM 0 HG2 LYS A 864 13.336 12.597 6.675 1.00 0.00 H new ATOM 0 HG3 LYS A 864 13.829 12.805 8.344 1.00 0.00 H new ATOM 0 HD2 LYS A 864 16.248 12.816 7.526 1.00 0.00 H new ATOM 0 HD3 LYS A 864 15.625 12.854 5.888 1.00 0.00 H new ATOM 0 HE2 LYS A 864 14.573 14.987 6.223 1.00 0.00 H new ATOM 0 HE3 LYS A 864 14.765 14.897 7.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 864 16.393 16.373 6.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 864 17.171 15.037 7.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 864 16.985 15.124 5.990 1.00 0.00 H new ATOM 1032 N PRO A 865 16.080 8.759 5.928 1.00 0.00 N ATOM 1033 CA PRO A 865 16.874 7.526 5.927 1.00 0.00 C ATOM 1034 C PRO A 865 17.110 6.988 7.334 1.00 0.00 C ATOM 1035 O PRO A 865 17.260 5.783 7.531 1.00 0.00 O ATOM 1036 CB PRO A 865 18.197 7.958 5.291 1.00 0.00 C ATOM 1037 CG PRO A 865 18.290 9.420 5.563 1.00 0.00 C ATOM 1038 CD PRO A 865 16.877 9.935 5.543 1.00 0.00 C ATOM 0 HA PRO A 865 16.373 6.718 5.394 1.00 0.00 H new ATOM 0 HB2 PRO A 865 19.039 7.420 5.726 1.00 0.00 H new ATOM 0 HB3 PRO A 865 18.207 7.753 4.220 1.00 0.00 H new ATOM 0 HG2 PRO A 865 18.761 9.608 6.528 1.00 0.00 H new ATOM 0 HG3 PRO A 865 18.898 9.919 4.809 1.00 0.00 H new ATOM 0 HD2 PRO A 865 16.740 10.760 6.242 1.00 0.00 H new ATOM 0 HD3 PRO A 865 16.598 10.304 4.556 1.00 0.00 H new ATOM 1046 N ALA A 866 17.143 7.890 8.310 1.00 0.00 N ATOM 1047 CA ALA A 866 17.358 7.505 9.699 1.00 0.00 C ATOM 1048 C ALA A 866 16.302 6.508 10.163 1.00 0.00 C ATOM 1049 O ALA A 866 16.609 5.349 10.444 1.00 0.00 O ATOM 1050 CB ALA A 866 17.355 8.735 10.595 1.00 0.00 C ATOM 0 H ALA A 866 17.024 8.892 8.164 1.00 0.00 H new ATOM 0 HA ALA A 866 18.332 7.021 9.768 1.00 0.00 H new ATOM 0 HB1 ALA A 866 17.517 8.432 11.629 1.00 0.00 H new ATOM 0 HB2 ALA A 866 18.152 9.412 10.286 1.00 0.00 H new ATOM 0 HB3 ALA A 866 16.394 9.243 10.512 1.00 0.00 H new ATOM 1056 N ASP A 867 15.057 6.965 10.241 1.00 0.00 N ATOM 1057 CA ASP A 867 13.955 6.112 10.671 1.00 0.00 C ATOM 1058 C ASP A 867 13.814 4.903 9.752 1.00 0.00 C ATOM 1059 O ASP A 867 13.700 3.767 10.216 1.00 0.00 O ATOM 1060 CB ASP A 867 12.647 6.906 10.694 1.00 0.00 C ATOM 1061 CG ASP A 867 12.544 7.816 11.902 1.00 0.00 C ATOM 1062 OD1 ASP A 867 13.201 8.878 11.902 1.00 0.00 O ATOM 1063 OD2 ASP A 867 11.806 7.466 12.847 1.00 0.00 O ATOM 0 H ASP A 867 14.786 7.921 10.012 1.00 0.00 H new ATOM 0 HA ASP A 867 14.174 5.757 11.678 1.00 0.00 H new ATOM 0 HB2 ASP A 867 12.572 7.503 9.785 1.00 0.00 H new ATOM 0 HB3 ASP A 867 11.805 6.214 10.691 1.00 0.00 H new ATOM 1068 N LEU A 868 13.821 5.153 8.448 1.00 0.00 N ATOM 1069 CA LEU A 868 13.692 4.084 7.463 1.00 0.00 C ATOM 1070 C LEU A 868 14.665 2.948 7.763 1.00 0.00 C ATOM 1071 O LEU A 868 14.260 1.796 7.926 1.00 0.00 O ATOM 1072 CB LEU A 868 13.944 4.628 6.055 1.00 0.00 C ATOM 1073 CG LEU A 868 14.042 3.585 4.941 1.00 0.00 C ATOM 1074 CD1 LEU A 868 12.669 3.016 4.620 1.00 0.00 C ATOM 1075 CD2 LEU A 868 14.674 4.192 3.697 1.00 0.00 C ATOM 0 H LEU A 868 13.915 6.086 8.047 1.00 0.00 H new ATOM 0 HA LEU A 868 12.676 3.693 7.518 1.00 0.00 H new ATOM 0 HB2 LEU A 868 13.141 5.322 5.806 1.00 0.00 H new ATOM 0 HB3 LEU A 868 14.870 5.203 6.070 1.00 0.00 H new ATOM 0 HG LEU A 868 14.678 2.770 5.287 1.00 0.00 H new ATOM 0 HD11 LEU A 868 12.759 2.276 3.825 1.00 0.00 H new ATOM 0 HD12 LEU A 868 12.254 2.544 5.510 1.00 0.00 H new ATOM 0 HD13 LEU A 868 12.009 3.820 4.294 1.00 0.00 H new ATOM 0 HD21 LEU A 868 14.736 3.436 2.914 1.00 0.00 H new ATOM 0 HD22 LEU A 868 14.064 5.025 3.349 1.00 0.00 H new ATOM 0 HD23 LEU A 868 15.675 4.550 3.935 1.00 0.00 H new ATOM 1087 N LYS A 869 15.949 3.279 7.837 1.00 0.00 N ATOM 1088 CA LYS A 869 16.980 2.288 8.121 1.00 0.00 C ATOM 1089 C LYS A 869 16.629 1.479 9.366 1.00 0.00 C ATOM 1090 O LYS A 869 16.543 0.252 9.317 1.00 0.00 O ATOM 1091 CB LYS A 869 18.336 2.973 8.311 1.00 0.00 C ATOM 1092 CG LYS A 869 19.046 3.287 7.005 1.00 0.00 C ATOM 1093 CD LYS A 869 20.538 3.487 7.216 1.00 0.00 C ATOM 1094 CE LYS A 869 21.244 3.830 5.913 1.00 0.00 C ATOM 1095 NZ LYS A 869 22.554 4.497 6.150 1.00 0.00 N ATOM 0 H LYS A 869 16.301 4.227 7.704 1.00 0.00 H new ATOM 0 HA LYS A 869 17.039 1.608 7.271 1.00 0.00 H new ATOM 0 HB2 LYS A 869 18.191 3.899 8.868 1.00 0.00 H new ATOM 0 HB3 LYS A 869 18.976 2.332 8.918 1.00 0.00 H new ATOM 0 HG2 LYS A 869 18.883 2.475 6.297 1.00 0.00 H new ATOM 0 HG3 LYS A 869 18.616 4.186 6.563 1.00 0.00 H new ATOM 0 HD2 LYS A 869 20.700 4.285 7.940 1.00 0.00 H new ATOM 0 HD3 LYS A 869 20.972 2.581 7.638 1.00 0.00 H new ATOM 0 HE2 LYS A 869 21.400 2.920 5.334 1.00 0.00 H new ATOM 0 HE3 LYS A 869 20.607 4.483 5.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 869 23.003 4.714 5.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 869 22.404 5.379 6.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 869 23.172 3.864 6.698 1.00 0.00 H new ATOM 1109 N LYS A 870 16.426 2.174 10.480 1.00 0.00 N ATOM 1110 CA LYS A 870 16.081 1.522 11.737 1.00 0.00 C ATOM 1111 C LYS A 870 14.951 0.517 11.537 1.00 0.00 C ATOM 1112 O LYS A 870 14.994 -0.594 12.066 1.00 0.00 O ATOM 1113 CB LYS A 870 15.673 2.563 12.781 1.00 0.00 C ATOM 1114 CG LYS A 870 16.851 3.273 13.426 1.00 0.00 C ATOM 1115 CD LYS A 870 16.416 4.545 14.135 1.00 0.00 C ATOM 1116 CE LYS A 870 17.553 5.551 14.222 1.00 0.00 C ATOM 1117 NZ LYS A 870 17.176 6.746 15.026 1.00 0.00 N ATOM 0 H LYS A 870 16.495 3.190 10.538 1.00 0.00 H new ATOM 0 HA LYS A 870 16.961 0.986 12.092 1.00 0.00 H new ATOM 0 HB2 LYS A 870 15.027 3.304 12.310 1.00 0.00 H new ATOM 0 HB3 LYS A 870 15.084 2.075 13.558 1.00 0.00 H new ATOM 0 HG2 LYS A 870 17.333 2.605 14.139 1.00 0.00 H new ATOM 0 HG3 LYS A 870 17.592 3.515 12.664 1.00 0.00 H new ATOM 0 HD2 LYS A 870 15.575 4.990 13.603 1.00 0.00 H new ATOM 0 HD3 LYS A 870 16.066 4.302 15.138 1.00 0.00 H new ATOM 0 HE2 LYS A 870 18.426 5.074 14.667 1.00 0.00 H new ATOM 0 HE3 LYS A 870 17.838 5.864 13.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 870 17.978 7.408 15.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 870 16.358 7.216 14.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 870 16.928 6.451 15.992 1.00 0.00 H new ATOM 1131 N ARG A 871 13.942 0.914 10.768 1.00 0.00 N ATOM 1132 CA ARG A 871 12.801 0.048 10.498 1.00 0.00 C ATOM 1133 C ARG A 871 13.250 -1.251 9.834 1.00 0.00 C ATOM 1134 O ARG A 871 12.872 -2.342 10.263 1.00 0.00 O ATOM 1135 CB ARG A 871 11.788 0.766 9.605 1.00 0.00 C ATOM 1136 CG ARG A 871 11.117 1.953 10.278 1.00 0.00 C ATOM 1137 CD ARG A 871 9.874 1.529 11.044 1.00 0.00 C ATOM 1138 NE ARG A 871 10.190 1.093 12.401 1.00 0.00 N ATOM 1139 CZ ARG A 871 9.269 0.772 13.303 1.00 0.00 C ATOM 1140 NH1 ARG A 871 7.981 0.839 12.994 1.00 0.00 N ATOM 1141 NH2 ARG A 871 9.635 0.384 14.518 1.00 0.00 N ATOM 0 H ARG A 871 13.892 1.830 10.321 1.00 0.00 H new ATOM 0 HA ARG A 871 12.328 -0.195 11.449 1.00 0.00 H new ATOM 0 HB2 ARG A 871 12.292 1.108 8.701 1.00 0.00 H new ATOM 0 HB3 ARG A 871 11.023 0.055 9.294 1.00 0.00 H new ATOM 0 HG2 ARG A 871 11.820 2.432 10.960 1.00 0.00 H new ATOM 0 HG3 ARG A 871 10.847 2.694 9.526 1.00 0.00 H new ATOM 0 HD2 ARG A 871 9.172 2.362 11.085 1.00 0.00 H new ATOM 0 HD3 ARG A 871 9.377 0.719 10.509 1.00 0.00 H new ATOM 0 HE ARG A 871 11.172 1.031 12.671 1.00 0.00 H new ATOM 0 HH11 ARG A 871 7.695 1.138 12.062 1.00 0.00 H new ATOM 0 HH12 ARG A 871 7.276 0.592 13.689 1.00 0.00 H new ATOM 0 HH21 ARG A 871 10.624 0.332 14.760 1.00 0.00 H new ATOM 0 HH22 ARG A 871 8.927 0.138 15.210 1.00 0.00 H new ATOM 1155 N ILE A 872 14.056 -1.125 8.785 1.00 0.00 N ATOM 1156 CA ILE A 872 14.556 -2.288 8.063 1.00 0.00 C ATOM 1157 C ILE A 872 15.254 -3.263 9.005 1.00 0.00 C ATOM 1158 O ILE A 872 14.775 -4.374 9.230 1.00 0.00 O ATOM 1159 CB ILE A 872 15.536 -1.880 6.947 1.00 0.00 C ATOM 1160 CG1 ILE A 872 14.881 -0.863 6.009 1.00 0.00 C ATOM 1161 CG2 ILE A 872 15.996 -3.105 6.171 1.00 0.00 C ATOM 1162 CD1 ILE A 872 15.848 -0.228 5.036 1.00 0.00 C ATOM 0 H ILE A 872 14.376 -0.230 8.416 1.00 0.00 H new ATOM 0 HA ILE A 872 13.690 -2.776 7.615 1.00 0.00 H new ATOM 0 HB ILE A 872 16.410 -1.415 7.404 1.00 0.00 H new ATOM 0 HG12 ILE A 872 14.087 -1.356 5.449 1.00 0.00 H new ATOM 0 HG13 ILE A 872 14.412 -0.080 6.605 1.00 0.00 H new ATOM 0 HG21 ILE A 872 16.688 -2.800 5.386 1.00 0.00 H new ATOM 0 HG22 ILE A 872 16.497 -3.797 6.848 1.00 0.00 H new ATOM 0 HG23 ILE A 872 15.133 -3.597 5.723 1.00 0.00 H new ATOM 0 HD11 ILE A 872 15.314 0.481 4.403 1.00 0.00 H new ATOM 0 HD12 ILE A 872 16.629 0.294 5.588 1.00 0.00 H new ATOM 0 HD13 ILE A 872 16.299 -1.001 4.414 1.00 0.00 H new ATOM 1174 N GLU A 873 16.387 -2.838 9.554 1.00 0.00 N ATOM 1175 CA GLU A 873 17.150 -3.673 10.474 1.00 0.00 C ATOM 1176 C GLU A 873 16.223 -4.413 11.434 1.00 0.00 C ATOM 1177 O GLU A 873 16.196 -5.643 11.464 1.00 0.00 O ATOM 1178 CB GLU A 873 18.147 -2.823 11.263 1.00 0.00 C ATOM 1179 CG GLU A 873 19.122 -2.055 10.386 1.00 0.00 C ATOM 1180 CD GLU A 873 20.082 -1.201 11.190 1.00 0.00 C ATOM 1181 OE1 GLU A 873 20.817 -1.762 12.029 1.00 0.00 O ATOM 1182 OE2 GLU A 873 20.099 0.030 10.978 1.00 0.00 O ATOM 0 H GLU A 873 16.797 -1.921 9.378 1.00 0.00 H new ATOM 0 HA GLU A 873 17.698 -4.409 9.886 1.00 0.00 H new ATOM 0 HB2 GLU A 873 17.597 -2.117 11.885 1.00 0.00 H new ATOM 0 HB3 GLU A 873 18.709 -3.470 11.937 1.00 0.00 H new ATOM 0 HG2 GLU A 873 19.690 -2.759 9.778 1.00 0.00 H new ATOM 0 HG3 GLU A 873 18.564 -1.419 9.699 1.00 0.00 H new ATOM 1189 N SER A 874 15.465 -3.653 12.218 1.00 0.00 N ATOM 1190 CA SER A 874 14.540 -4.234 13.183 1.00 0.00 C ATOM 1191 C SER A 874 13.750 -5.379 12.557 1.00 0.00 C ATOM 1192 O SER A 874 13.910 -6.540 12.936 1.00 0.00 O ATOM 1193 CB SER A 874 13.580 -3.166 13.709 1.00 0.00 C ATOM 1194 OG SER A 874 13.016 -3.552 14.951 1.00 0.00 O ATOM 0 H SER A 874 15.474 -2.633 12.203 1.00 0.00 H new ATOM 0 HA SER A 874 15.123 -4.629 14.015 1.00 0.00 H new ATOM 0 HB2 SER A 874 14.111 -2.221 13.825 1.00 0.00 H new ATOM 0 HB3 SER A 874 12.785 -2.998 12.982 1.00 0.00 H new ATOM 0 HG SER A 874 12.408 -2.851 15.266 1.00 0.00 H new ATOM 1200 N LEU A 875 12.897 -5.044 11.595 1.00 0.00 N ATOM 1201 CA LEU A 875 12.081 -6.043 10.914 1.00 0.00 C ATOM 1202 C LEU A 875 12.875 -7.323 10.673 1.00 0.00 C ATOM 1203 O LEU A 875 12.405 -8.422 10.969 1.00 0.00 O ATOM 1204 CB LEU A 875 11.567 -5.490 9.583 1.00 0.00 C ATOM 1205 CG LEU A 875 10.425 -4.477 9.674 1.00 0.00 C ATOM 1206 CD1 LEU A 875 10.008 -4.017 8.286 1.00 0.00 C ATOM 1207 CD2 LEU A 875 9.239 -5.075 10.418 1.00 0.00 C ATOM 0 H LEU A 875 12.753 -4.088 11.269 1.00 0.00 H new ATOM 0 HA LEU A 875 11.231 -6.280 11.555 1.00 0.00 H new ATOM 0 HB2 LEU A 875 12.401 -5.021 9.061 1.00 0.00 H new ATOM 0 HB3 LEU A 875 11.236 -6.327 8.968 1.00 0.00 H new ATOM 0 HG LEU A 875 10.778 -3.609 10.231 1.00 0.00 H new ATOM 0 HD11 LEU A 875 9.194 -3.297 8.371 1.00 0.00 H new ATOM 0 HD12 LEU A 875 10.857 -3.549 7.788 1.00 0.00 H new ATOM 0 HD13 LEU A 875 9.673 -4.875 7.703 1.00 0.00 H new ATOM 0 HD21 LEU A 875 8.436 -4.340 10.473 1.00 0.00 H new ATOM 0 HD22 LEU A 875 8.886 -5.960 9.888 1.00 0.00 H new ATOM 0 HD23 LEU A 875 9.545 -5.354 11.426 1.00 0.00 H new ATOM 1219 N ILE A 876 14.081 -7.172 10.135 1.00 0.00 N ATOM 1220 CA ILE A 876 14.941 -8.315 9.857 1.00 0.00 C ATOM 1221 C ILE A 876 15.177 -9.144 11.115 1.00 0.00 C ATOM 1222 O ILE A 876 15.229 -10.373 11.061 1.00 0.00 O ATOM 1223 CB ILE A 876 16.301 -7.871 9.287 1.00 0.00 C ATOM 1224 CG1 ILE A 876 16.100 -7.066 8.001 1.00 0.00 C ATOM 1225 CG2 ILE A 876 17.187 -9.080 9.028 1.00 0.00 C ATOM 1226 CD1 ILE A 876 17.389 -6.530 7.417 1.00 0.00 C ATOM 0 H ILE A 876 14.484 -6.269 9.883 1.00 0.00 H new ATOM 0 HA ILE A 876 14.426 -8.924 9.114 1.00 0.00 H new ATOM 0 HB ILE A 876 16.795 -7.233 10.020 1.00 0.00 H new ATOM 0 HG12 ILE A 876 15.609 -7.697 7.260 1.00 0.00 H new ATOM 0 HG13 ILE A 876 15.428 -6.232 8.205 1.00 0.00 H new ATOM 0 HG21 ILE A 876 18.145 -8.750 8.625 1.00 0.00 H new ATOM 0 HG22 ILE A 876 17.352 -9.617 9.962 1.00 0.00 H new ATOM 0 HG23 ILE A 876 16.700 -9.741 8.311 1.00 0.00 H new ATOM 0 HD11 ILE A 876 17.171 -5.970 6.508 1.00 0.00 H new ATOM 0 HD12 ILE A 876 17.871 -5.873 8.141 1.00 0.00 H new ATOM 0 HD13 ILE A 876 18.055 -7.360 7.181 1.00 0.00 H new ATOM 1238 N ASP A 877 15.317 -8.464 12.248 1.00 0.00 N ATOM 1239 CA ASP A 877 15.544 -9.137 13.521 1.00 0.00 C ATOM 1240 C ASP A 877 14.230 -9.635 14.115 1.00 0.00 C ATOM 1241 O ASP A 877 14.223 -10.382 15.093 1.00 0.00 O ATOM 1242 CB ASP A 877 16.237 -8.193 14.505 1.00 0.00 C ATOM 1243 CG ASP A 877 17.103 -8.933 15.506 1.00 0.00 C ATOM 1244 OD1 ASP A 877 18.187 -9.413 15.113 1.00 0.00 O ATOM 1245 OD2 ASP A 877 16.696 -9.032 16.682 1.00 0.00 O ATOM 0 H ASP A 877 15.277 -7.447 12.310 1.00 0.00 H new ATOM 0 HA ASP A 877 16.189 -9.997 13.339 1.00 0.00 H new ATOM 0 HB2 ASP A 877 16.852 -7.484 13.951 1.00 0.00 H new ATOM 0 HB3 ASP A 877 15.484 -7.613 15.039 1.00 0.00 H new ATOM 1250 N ARG A 878 13.120 -9.214 13.517 1.00 0.00 N ATOM 1251 CA ARG A 878 11.800 -9.615 13.988 1.00 0.00 C ATOM 1252 C ARG A 878 11.420 -10.988 13.439 1.00 0.00 C ATOM 1253 O ARG A 878 10.246 -11.357 13.420 1.00 0.00 O ATOM 1254 CB ARG A 878 10.751 -8.581 13.574 1.00 0.00 C ATOM 1255 CG ARG A 878 11.009 -7.193 14.138 1.00 0.00 C ATOM 1256 CD ARG A 878 11.380 -7.251 15.612 1.00 0.00 C ATOM 1257 NE ARG A 878 10.361 -7.930 16.407 1.00 0.00 N ATOM 1258 CZ ARG A 878 10.234 -7.780 17.721 1.00 0.00 C ATOM 1259 NH1 ARG A 878 11.057 -6.979 18.383 1.00 0.00 N ATOM 1260 NH2 ARG A 878 9.281 -8.432 18.375 1.00 0.00 N ATOM 0 H ARG A 878 13.109 -8.596 12.706 1.00 0.00 H new ATOM 0 HA ARG A 878 11.833 -9.674 15.076 1.00 0.00 H new ATOM 0 HB2 ARG A 878 10.721 -8.522 12.486 1.00 0.00 H new ATOM 0 HB3 ARG A 878 9.769 -8.921 13.902 1.00 0.00 H new ATOM 0 HG2 ARG A 878 11.813 -6.715 13.578 1.00 0.00 H new ATOM 0 HG3 ARG A 878 10.120 -6.576 14.009 1.00 0.00 H new ATOM 0 HD2 ARG A 878 12.333 -7.768 15.726 1.00 0.00 H new ATOM 0 HD3 ARG A 878 11.520 -6.238 15.991 1.00 0.00 H new ATOM 0 HE ARG A 878 9.711 -8.553 15.928 1.00 0.00 H new ATOM 0 HH11 ARG A 878 11.790 -6.476 17.884 1.00 0.00 H new ATOM 0 HH12 ARG A 878 10.957 -6.866 19.392 1.00 0.00 H new ATOM 0 HH21 ARG A 878 8.645 -9.049 17.869 1.00 0.00 H new ATOM 0 HH22 ARG A 878 9.184 -8.316 19.384 1.00 0.00 H new ATOM 1274 N ASP A 879 12.422 -11.738 12.994 1.00 0.00 N ATOM 1275 CA ASP A 879 12.194 -13.070 12.445 1.00 0.00 C ATOM 1276 C ASP A 879 11.322 -13.001 11.195 1.00 0.00 C ATOM 1277 O ASP A 879 10.586 -13.938 10.887 1.00 0.00 O ATOM 1278 CB ASP A 879 11.536 -13.970 13.491 1.00 0.00 C ATOM 1279 CG ASP A 879 12.525 -14.476 14.524 1.00 0.00 C ATOM 1280 OD1 ASP A 879 13.562 -15.044 14.123 1.00 0.00 O ATOM 1281 OD2 ASP A 879 12.261 -14.305 15.732 1.00 0.00 O ATOM 0 H ASP A 879 13.399 -11.447 13.003 1.00 0.00 H new ATOM 0 HA ASP A 879 13.160 -13.492 12.169 1.00 0.00 H new ATOM 0 HB2 ASP A 879 10.741 -13.418 13.993 1.00 0.00 H new ATOM 0 HB3 ASP A 879 11.069 -14.819 12.993 1.00 0.00 H new ATOM 1286 N TYR A 880 11.409 -11.884 10.480 1.00 0.00 N ATOM 1287 CA TYR A 880 10.625 -11.691 9.266 1.00 0.00 C ATOM 1288 C TYR A 880 11.513 -11.761 8.028 1.00 0.00 C ATOM 1289 O TYR A 880 11.121 -12.311 6.999 1.00 0.00 O ATOM 1290 CB TYR A 880 9.900 -10.345 9.311 1.00 0.00 C ATOM 1291 CG TYR A 880 8.869 -10.250 10.413 1.00 0.00 C ATOM 1292 CD1 TYR A 880 8.037 -11.323 10.708 1.00 0.00 C ATOM 1293 CD2 TYR A 880 8.727 -9.087 11.159 1.00 0.00 C ATOM 1294 CE1 TYR A 880 7.094 -11.240 11.714 1.00 0.00 C ATOM 1295 CE2 TYR A 880 7.787 -8.995 12.168 1.00 0.00 C ATOM 1296 CZ TYR A 880 6.972 -10.074 12.441 1.00 0.00 C ATOM 1297 OH TYR A 880 6.034 -9.988 13.444 1.00 0.00 O ATOM 0 H TYR A 880 12.014 -11.099 10.720 1.00 0.00 H new ATOM 0 HA TYR A 880 9.888 -12.492 9.209 1.00 0.00 H new ATOM 0 HB2 TYR A 880 10.634 -9.550 9.442 1.00 0.00 H new ATOM 0 HB3 TYR A 880 9.412 -10.172 8.352 1.00 0.00 H new ATOM 0 HD1 TYR A 880 8.129 -12.238 10.141 1.00 0.00 H new ATOM 0 HD2 TYR A 880 9.362 -8.240 10.947 1.00 0.00 H new ATOM 0 HE1 TYR A 880 6.455 -12.084 11.930 1.00 0.00 H new ATOM 0 HE2 TYR A 880 7.691 -8.084 12.739 1.00 0.00 H new ATOM 0 HH TYR A 880 6.079 -9.101 13.858 1.00 0.00 H new ATOM 1307 N MET A 881 12.713 -11.201 8.135 1.00 0.00 N ATOM 1308 CA MET A 881 13.659 -11.201 7.025 1.00 0.00 C ATOM 1309 C MET A 881 15.060 -11.566 7.505 1.00 0.00 C ATOM 1310 O MET A 881 15.451 -11.228 8.622 1.00 0.00 O ATOM 1311 CB MET A 881 13.681 -9.831 6.345 1.00 0.00 C ATOM 1312 CG MET A 881 12.332 -9.408 5.787 1.00 0.00 C ATOM 1313 SD MET A 881 11.751 -10.498 4.474 1.00 0.00 S ATOM 1314 CE MET A 881 12.861 -10.046 3.143 1.00 0.00 C ATOM 0 H MET A 881 13.054 -10.741 8.979 1.00 0.00 H new ATOM 0 HA MET A 881 13.334 -11.951 6.304 1.00 0.00 H new ATOM 0 HB2 MET A 881 14.019 -9.084 7.063 1.00 0.00 H new ATOM 0 HB3 MET A 881 14.411 -9.848 5.535 1.00 0.00 H new ATOM 0 HG2 MET A 881 11.598 -9.393 6.593 1.00 0.00 H new ATOM 0 HG3 MET A 881 12.405 -8.390 5.403 1.00 0.00 H new ATOM 0 HE1 MET A 881 12.593 -10.598 2.242 1.00 0.00 H new ATOM 0 HE2 MET A 881 12.781 -8.976 2.950 1.00 0.00 H new ATOM 0 HE3 MET A 881 13.885 -10.289 3.425 1.00 0.00 H new ATOM 1324 N GLU A 882 15.811 -12.257 6.653 1.00 0.00 N ATOM 1325 CA GLU A 882 17.169 -12.669 6.993 1.00 0.00 C ATOM 1326 C GLU A 882 18.180 -12.054 6.029 1.00 0.00 C ATOM 1327 O GLU A 882 17.939 -11.978 4.824 1.00 0.00 O ATOM 1328 CB GLU A 882 17.285 -14.194 6.967 1.00 0.00 C ATOM 1329 CG GLU A 882 16.833 -14.817 5.657 1.00 0.00 C ATOM 1330 CD GLU A 882 17.408 -16.204 5.442 1.00 0.00 C ATOM 1331 OE1 GLU A 882 17.479 -16.974 6.422 1.00 0.00 O ATOM 1332 OE2 GLU A 882 17.785 -16.519 4.294 1.00 0.00 O ATOM 0 H GLU A 882 15.503 -12.543 5.724 1.00 0.00 H new ATOM 0 HA GLU A 882 17.389 -12.313 8.000 1.00 0.00 H new ATOM 0 HB2 GLU A 882 18.322 -14.474 7.154 1.00 0.00 H new ATOM 0 HB3 GLU A 882 16.691 -14.609 7.781 1.00 0.00 H new ATOM 0 HG2 GLU A 882 15.745 -14.873 5.642 1.00 0.00 H new ATOM 0 HG3 GLU A 882 17.131 -14.172 4.830 1.00 0.00 H new ATOM 1339 N ARG A 883 19.313 -11.616 6.569 1.00 0.00 N ATOM 1340 CA ARG A 883 20.360 -11.007 5.759 1.00 0.00 C ATOM 1341 C ARG A 883 21.133 -12.069 4.981 1.00 0.00 C ATOM 1342 O ARG A 883 21.772 -12.941 5.569 1.00 0.00 O ATOM 1343 CB ARG A 883 21.320 -10.209 6.643 1.00 0.00 C ATOM 1344 CG ARG A 883 20.713 -8.932 7.202 1.00 0.00 C ATOM 1345 CD ARG A 883 21.778 -8.019 7.789 1.00 0.00 C ATOM 1346 NE ARG A 883 21.275 -6.668 8.019 1.00 0.00 N ATOM 1347 CZ ARG A 883 22.002 -5.694 8.556 1.00 0.00 C ATOM 1348 NH1 ARG A 883 23.258 -5.922 8.917 1.00 0.00 N ATOM 1349 NH2 ARG A 883 21.474 -4.490 8.733 1.00 0.00 N ATOM 0 H ARG A 883 19.529 -11.672 7.564 1.00 0.00 H new ATOM 0 HA ARG A 883 19.886 -10.332 5.047 1.00 0.00 H new ATOM 0 HB2 ARG A 883 21.647 -10.839 7.471 1.00 0.00 H new ATOM 0 HB3 ARG A 883 22.208 -9.956 6.064 1.00 0.00 H new ATOM 0 HG2 ARG A 883 20.177 -8.406 6.412 1.00 0.00 H new ATOM 0 HG3 ARG A 883 19.982 -9.182 7.971 1.00 0.00 H new ATOM 0 HD2 ARG A 883 22.136 -8.438 8.730 1.00 0.00 H new ATOM 0 HD3 ARG A 883 22.632 -7.977 7.113 1.00 0.00 H new ATOM 0 HE ARG A 883 20.312 -6.460 7.753 1.00 0.00 H new ATOM 0 HH11 ARG A 883 23.667 -6.846 8.783 1.00 0.00 H new ATOM 0 HH12 ARG A 883 23.814 -5.173 9.329 1.00 0.00 H new ATOM 0 HH21 ARG A 883 20.509 -4.311 8.457 1.00 0.00 H new ATOM 0 HH22 ARG A 883 22.033 -3.743 9.145 1.00 0.00 H new ATOM 1363 N ASP A 884 21.068 -11.989 3.657 1.00 0.00 N ATOM 1364 CA ASP A 884 21.761 -12.942 2.798 1.00 0.00 C ATOM 1365 C ASP A 884 23.232 -13.053 3.187 1.00 0.00 C ATOM 1366 O ASP A 884 23.927 -12.046 3.326 1.00 0.00 O ATOM 1367 CB ASP A 884 21.638 -12.523 1.332 1.00 0.00 C ATOM 1368 CG ASP A 884 21.805 -13.692 0.381 1.00 0.00 C ATOM 1369 OD1 ASP A 884 22.537 -14.642 0.729 1.00 0.00 O ATOM 1370 OD2 ASP A 884 21.202 -13.657 -0.712 1.00 0.00 O ATOM 0 H ASP A 884 20.542 -11.274 3.155 1.00 0.00 H new ATOM 0 HA ASP A 884 21.294 -13.918 2.929 1.00 0.00 H new ATOM 0 HB2 ASP A 884 20.664 -12.062 1.169 1.00 0.00 H new ATOM 0 HB3 ASP A 884 22.390 -11.766 1.109 1.00 0.00 H new ATOM 1375 N LYS A 885 23.701 -14.284 3.361 1.00 0.00 N ATOM 1376 CA LYS A 885 25.090 -14.528 3.734 1.00 0.00 C ATOM 1377 C LYS A 885 26.042 -13.803 2.789 1.00 0.00 C ATOM 1378 O LYS A 885 27.028 -13.207 3.223 1.00 0.00 O ATOM 1379 CB LYS A 885 25.386 -16.029 3.720 1.00 0.00 C ATOM 1380 CG LYS A 885 25.111 -16.716 5.047 1.00 0.00 C ATOM 1381 CD LYS A 885 24.825 -18.196 4.860 1.00 0.00 C ATOM 1382 CE LYS A 885 26.107 -19.016 4.861 1.00 0.00 C ATOM 1383 NZ LYS A 885 25.865 -20.423 4.437 1.00 0.00 N ATOM 0 H LYS A 885 23.140 -15.128 3.250 1.00 0.00 H new ATOM 0 HA LYS A 885 25.243 -14.142 4.742 1.00 0.00 H new ATOM 0 HB2 LYS A 885 24.784 -16.502 2.944 1.00 0.00 H new ATOM 0 HB3 LYS A 885 26.431 -16.182 3.451 1.00 0.00 H new ATOM 0 HG2 LYS A 885 25.969 -16.591 5.707 1.00 0.00 H new ATOM 0 HG3 LYS A 885 24.261 -16.239 5.535 1.00 0.00 H new ATOM 0 HD2 LYS A 885 24.168 -18.544 5.657 1.00 0.00 H new ATOM 0 HD3 LYS A 885 24.294 -18.349 3.920 1.00 0.00 H new ATOM 0 HE2 LYS A 885 26.834 -18.555 4.192 1.00 0.00 H new ATOM 0 HE3 LYS A 885 26.543 -19.007 5.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 885 26.762 -20.949 4.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 885 25.191 -20.871 5.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 885 25.473 -20.433 3.474 1.00 0.00 H new ATOM 1397 N GLU A 886 25.741 -13.856 1.495 1.00 0.00 N ATOM 1398 CA GLU A 886 26.571 -13.203 0.490 1.00 0.00 C ATOM 1399 C GLU A 886 26.792 -11.734 0.838 1.00 0.00 C ATOM 1400 O GLU A 886 27.903 -11.217 0.720 1.00 0.00 O ATOM 1401 CB GLU A 886 25.924 -13.319 -0.892 1.00 0.00 C ATOM 1402 CG GLU A 886 24.843 -12.281 -1.147 1.00 0.00 C ATOM 1403 CD GLU A 886 24.365 -12.279 -2.586 1.00 0.00 C ATOM 1404 OE1 GLU A 886 24.170 -13.378 -3.147 1.00 0.00 O ATOM 1405 OE2 GLU A 886 24.185 -11.180 -3.150 1.00 0.00 O ATOM 0 H GLU A 886 24.929 -14.344 1.118 1.00 0.00 H new ATOM 0 HA GLU A 886 27.539 -13.704 0.474 1.00 0.00 H new ATOM 0 HB2 GLU A 886 26.696 -13.222 -1.655 1.00 0.00 H new ATOM 0 HB3 GLU A 886 25.493 -14.314 -1.000 1.00 0.00 H new ATOM 0 HG2 GLU A 886 23.997 -12.473 -0.487 1.00 0.00 H new ATOM 0 HG3 GLU A 886 25.227 -11.293 -0.894 1.00 0.00 H new ATOM 1412 N ASN A 887 25.726 -11.066 1.268 1.00 0.00 N ATOM 1413 CA ASN A 887 25.803 -9.656 1.633 1.00 0.00 C ATOM 1414 C ASN A 887 24.547 -9.219 2.381 1.00 0.00 C ATOM 1415 O ASN A 887 23.434 -9.650 2.081 1.00 0.00 O ATOM 1416 CB ASN A 887 25.992 -8.794 0.383 1.00 0.00 C ATOM 1417 CG ASN A 887 27.444 -8.703 -0.043 1.00 0.00 C ATOM 1418 OD1 ASN A 887 28.267 -8.076 0.791 1.00 0.00 O flip ATOM 1419 ND2 ASN A 887 27.823 -9.191 -1.108 1.00 0.00 N flip ATOM 0 H ASN A 887 24.799 -11.478 1.372 1.00 0.00 H new ATOM 0 HA ASN A 887 26.661 -9.523 2.291 1.00 0.00 H new ATOM 0 HB2 ASN A 887 25.402 -9.209 -0.434 1.00 0.00 H new ATOM 0 HB3 ASN A 887 25.609 -7.792 0.575 1.00 0.00 H new ATOM 0 HD21 ASN A 887 27.156 -9.664 -1.718 1.00 0.00 H new ATOM 0 HD22 ASN A 887 28.804 -9.122 -1.380 1.00 0.00 H new ATOM 1426 N PRO A 888 24.729 -8.341 3.378 1.00 0.00 N ATOM 1427 CA PRO A 888 23.622 -7.824 4.189 1.00 0.00 C ATOM 1428 C PRO A 888 22.712 -6.889 3.400 1.00 0.00 C ATOM 1429 O PRO A 888 21.674 -6.453 3.896 1.00 0.00 O ATOM 1430 CB PRO A 888 24.331 -7.060 5.311 1.00 0.00 C ATOM 1431 CG PRO A 888 25.648 -6.675 4.733 1.00 0.00 C ATOM 1432 CD PRO A 888 26.028 -7.784 3.791 1.00 0.00 C ATOM 0 HA PRO A 888 22.970 -8.622 4.544 1.00 0.00 H new ATOM 0 HB2 PRO A 888 23.760 -6.182 5.615 1.00 0.00 H new ATOM 0 HB3 PRO A 888 24.454 -7.682 6.197 1.00 0.00 H new ATOM 0 HG2 PRO A 888 25.580 -5.723 4.207 1.00 0.00 H new ATOM 0 HG3 PRO A 888 26.397 -6.554 5.516 1.00 0.00 H new ATOM 0 HD2 PRO A 888 26.594 -7.410 2.938 1.00 0.00 H new ATOM 0 HD3 PRO A 888 26.649 -8.533 4.282 1.00 0.00 H new ATOM 1440 N ASN A 889 23.108 -6.585 2.168 1.00 0.00 N ATOM 1441 CA ASN A 889 22.328 -5.701 1.311 1.00 0.00 C ATOM 1442 C ASN A 889 21.106 -6.425 0.752 1.00 0.00 C ATOM 1443 O ASN A 889 20.147 -5.792 0.310 1.00 0.00 O ATOM 1444 CB ASN A 889 23.192 -5.176 0.163 1.00 0.00 C ATOM 1445 CG ASN A 889 24.140 -4.079 0.608 1.00 0.00 C ATOM 1446 OD1 ASN A 889 24.463 -3.965 1.790 1.00 0.00 O ATOM 1447 ND2 ASN A 889 24.590 -3.265 -0.340 1.00 0.00 N ATOM 0 H ASN A 889 23.965 -6.938 1.741 1.00 0.00 H new ATOM 0 HA ASN A 889 21.987 -4.860 1.914 1.00 0.00 H new ATOM 0 HB2 ASN A 889 23.767 -5.999 -0.261 1.00 0.00 H new ATOM 0 HB3 ASN A 889 22.547 -4.796 -0.629 1.00 0.00 H new ATOM 0 HD21 ASN A 889 25.230 -2.508 -0.101 1.00 0.00 H new ATOM 0 HD22 ASN A 889 24.295 -3.397 -1.308 1.00 0.00 H new ATOM 1454 N GLN A 890 21.149 -7.753 0.776 1.00 0.00 N ATOM 1455 CA GLN A 890 20.046 -8.562 0.272 1.00 0.00 C ATOM 1456 C GLN A 890 19.318 -9.262 1.415 1.00 0.00 C ATOM 1457 O GLN A 890 19.944 -9.876 2.280 1.00 0.00 O ATOM 1458 CB GLN A 890 20.560 -9.596 -0.731 1.00 0.00 C ATOM 1459 CG GLN A 890 19.525 -10.642 -1.111 1.00 0.00 C ATOM 1460 CD GLN A 890 19.717 -11.168 -2.520 1.00 0.00 C ATOM 1461 OE1 GLN A 890 19.685 -10.408 -3.488 1.00 0.00 O ATOM 1462 NE2 GLN A 890 19.917 -12.475 -2.642 1.00 0.00 N ATOM 0 H GLN A 890 21.936 -8.291 1.139 1.00 0.00 H new ATOM 0 HA GLN A 890 19.342 -7.899 -0.231 1.00 0.00 H new ATOM 0 HB2 GLN A 890 20.892 -9.081 -1.633 1.00 0.00 H new ATOM 0 HB3 GLN A 890 21.432 -10.096 -0.310 1.00 0.00 H new ATOM 0 HG2 GLN A 890 19.578 -11.472 -0.407 1.00 0.00 H new ATOM 0 HG3 GLN A 890 18.528 -10.211 -1.021 1.00 0.00 H new ATOM 0 HE21 GLN A 890 19.936 -13.068 -1.812 1.00 0.00 H new ATOM 0 HE22 GLN A 890 20.052 -12.886 -3.566 1.00 0.00 H new ATOM 1471 N TYR A 891 17.993 -9.166 1.413 1.00 0.00 N ATOM 1472 CA TYR A 891 17.180 -9.788 2.451 1.00 0.00 C ATOM 1473 C TYR A 891 16.245 -10.837 1.855 1.00 0.00 C ATOM 1474 O TYR A 891 15.734 -10.672 0.749 1.00 0.00 O ATOM 1475 CB TYR A 891 16.367 -8.728 3.195 1.00 0.00 C ATOM 1476 CG TYR A 891 17.137 -7.455 3.467 1.00 0.00 C ATOM 1477 CD1 TYR A 891 18.234 -7.452 4.318 1.00 0.00 C ATOM 1478 CD2 TYR A 891 16.767 -6.256 2.871 1.00 0.00 C ATOM 1479 CE1 TYR A 891 18.940 -6.292 4.570 1.00 0.00 C ATOM 1480 CE2 TYR A 891 17.467 -5.091 3.116 1.00 0.00 C ATOM 1481 CZ TYR A 891 18.553 -5.114 3.967 1.00 0.00 C ATOM 1482 OH TYR A 891 19.254 -3.956 4.214 1.00 0.00 O ATOM 0 H TYR A 891 17.459 -8.663 0.704 1.00 0.00 H new ATOM 0 HA TYR A 891 17.850 -10.282 3.155 1.00 0.00 H new ATOM 0 HB2 TYR A 891 15.478 -8.488 2.611 1.00 0.00 H new ATOM 0 HB3 TYR A 891 16.023 -9.144 4.142 1.00 0.00 H new ATOM 0 HD1 TYR A 891 18.541 -8.373 4.791 1.00 0.00 H new ATOM 0 HD2 TYR A 891 15.917 -6.235 2.205 1.00 0.00 H new ATOM 0 HE1 TYR A 891 19.790 -6.308 5.236 1.00 0.00 H new ATOM 0 HE2 TYR A 891 17.166 -4.167 2.644 1.00 0.00 H new ATOM 0 HH TYR A 891 18.853 -3.217 3.711 1.00 0.00 H new ATOM 1492 N ASN A 892 16.028 -11.917 2.600 1.00 0.00 N ATOM 1493 CA ASN A 892 15.154 -12.993 2.147 1.00 0.00 C ATOM 1494 C ASN A 892 13.933 -13.121 3.052 1.00 0.00 C ATOM 1495 O ASN A 892 13.952 -12.682 4.203 1.00 0.00 O ATOM 1496 CB ASN A 892 15.919 -14.318 2.114 1.00 0.00 C ATOM 1497 CG ASN A 892 17.176 -14.239 1.268 1.00 0.00 C ATOM 1498 OD1 ASN A 892 17.150 -14.519 0.070 1.00 0.00 O ATOM 1499 ND2 ASN A 892 18.285 -13.858 1.892 1.00 0.00 N ATOM 0 H ASN A 892 16.445 -12.070 3.518 1.00 0.00 H new ATOM 0 HA ASN A 892 14.813 -12.751 1.140 1.00 0.00 H new ATOM 0 HB2 ASN A 892 16.186 -14.606 3.131 1.00 0.00 H new ATOM 0 HB3 ASN A 892 15.269 -15.100 1.722 1.00 0.00 H new ATOM 0 HD21 ASN A 892 19.162 -13.788 1.376 1.00 0.00 H new ATOM 0 HD22 ASN A 892 18.259 -13.636 2.887 1.00 0.00 H new ATOM 1506 N TYR A 893 12.874 -13.725 2.526 1.00 0.00 N ATOM 1507 CA TYR A 893 11.643 -13.909 3.285 1.00 0.00 C ATOM 1508 C TYR A 893 11.701 -15.187 4.116 1.00 0.00 C ATOM 1509 O TYR A 893 12.044 -16.255 3.608 1.00 0.00 O ATOM 1510 CB TYR A 893 10.439 -13.953 2.343 1.00 0.00 C ATOM 1511 CG TYR A 893 9.108 -13.970 3.061 1.00 0.00 C ATOM 1512 CD1 TYR A 893 8.640 -12.841 3.723 1.00 0.00 C ATOM 1513 CD2 TYR A 893 8.319 -15.113 3.077 1.00 0.00 C ATOM 1514 CE1 TYR A 893 7.425 -12.852 4.381 1.00 0.00 C ATOM 1515 CE2 TYR A 893 7.103 -15.132 3.731 1.00 0.00 C ATOM 1516 CZ TYR A 893 6.660 -13.999 4.381 1.00 0.00 C ATOM 1517 OH TYR A 893 5.449 -14.015 5.035 1.00 0.00 O ATOM 0 H TYR A 893 12.843 -14.096 1.576 1.00 0.00 H new ATOM 0 HA TYR A 893 11.534 -13.062 3.962 1.00 0.00 H new ATOM 0 HB2 TYR A 893 10.474 -13.087 1.681 1.00 0.00 H new ATOM 0 HB3 TYR A 893 10.514 -14.839 1.713 1.00 0.00 H new ATOM 0 HD1 TYR A 893 9.236 -11.940 3.723 1.00 0.00 H new ATOM 0 HD2 TYR A 893 8.662 -16.002 2.569 1.00 0.00 H new ATOM 0 HE1 TYR A 893 7.077 -11.967 4.892 1.00 0.00 H new ATOM 0 HE2 TYR A 893 6.502 -16.029 3.734 1.00 0.00 H new ATOM 0 HH TYR A 893 5.036 -14.899 4.938 1.00 0.00 H new ATOM 1527 N ILE A 894 11.363 -15.070 5.395 1.00 0.00 N ATOM 1528 CA ILE A 894 11.374 -16.215 6.296 1.00 0.00 C ATOM 1529 C ILE A 894 10.016 -16.405 6.962 1.00 0.00 C ATOM 1530 O ILE A 894 9.610 -17.528 7.259 1.00 0.00 O ATOM 1531 CB ILE A 894 12.451 -16.063 7.387 1.00 0.00 C ATOM 1532 CG1 ILE A 894 12.488 -14.622 7.900 1.00 0.00 C ATOM 1533 CG2 ILE A 894 13.813 -16.474 6.847 1.00 0.00 C ATOM 1534 CD1 ILE A 894 13.494 -14.401 9.008 1.00 0.00 C ATOM 0 H ILE A 894 11.078 -14.193 5.831 1.00 0.00 H new ATOM 0 HA ILE A 894 11.604 -17.091 5.689 1.00 0.00 H new ATOM 0 HB ILE A 894 12.199 -16.719 8.220 1.00 0.00 H new ATOM 0 HG12 ILE A 894 12.721 -13.955 7.070 1.00 0.00 H new ATOM 0 HG13 ILE A 894 11.497 -14.348 8.260 1.00 0.00 H new ATOM 0 HG21 ILE A 894 14.564 -16.361 7.629 1.00 0.00 H new ATOM 0 HG22 ILE A 894 13.778 -17.515 6.525 1.00 0.00 H new ATOM 0 HG23 ILE A 894 14.074 -15.841 5.999 1.00 0.00 H new ATOM 0 HD11 ILE A 894 13.466 -13.358 9.323 1.00 0.00 H new ATOM 0 HD12 ILE A 894 13.249 -15.042 9.855 1.00 0.00 H new ATOM 0 HD13 ILE A 894 14.493 -14.644 8.646 1.00 0.00 H new ATOM 1546 N ALA A 895 9.316 -15.299 7.192 1.00 0.00 N ATOM 1547 CA ALA A 895 8.001 -15.343 7.819 1.00 0.00 C ATOM 1548 C ALA A 895 7.234 -16.592 7.399 1.00 0.00 C ATOM 1549 O ALA A 895 7.120 -16.892 6.210 1.00 0.00 O ATOM 1550 CB ALA A 895 7.208 -14.092 7.470 1.00 0.00 C ATOM 0 H ALA A 895 9.638 -14.361 6.953 1.00 0.00 H new ATOM 0 HA ALA A 895 8.142 -15.381 8.899 1.00 0.00 H new ATOM 0 HB1 ALA A 895 6.228 -14.138 7.945 1.00 0.00 H new ATOM 0 HB2 ALA A 895 7.743 -13.211 7.826 1.00 0.00 H new ATOM 0 HB3 ALA A 895 7.085 -14.029 6.389 1.00 0.00 H new