USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=13 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= -0.214 X(o=-0.066,f=0.14) USER MOD Set 1.2: A 891 TYR OH : rot 46:sc= 0.148 USER MOD Set 2.1: A 840 MET CE :methyl -106:sc= -1.11 (180deg=-2.08!) USER MOD Set 2.2: A 881 MET CE :methyl -169:sc= -2.1! (180deg=-2.78!) USER MOD Set 3.1: A 845 THR OG1 : rot -107:sc= 1.18 USER MOD Set 3.2: A 892 ASN : amide:sc= 0.423 X(o=1.6,f=1.5) 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= -0.0998 K(o=-0.1,f=-1.5) USER MOD Single : A 841 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 842 MET CE :methyl -120:sc= -0.516 (180deg=-3.3!) 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 X(o=0,f=-0.17) 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= -0.105 K(o=-0.1,f=-2.1!) 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 : amide:sc= -4.44! C(o=-4.4!,f=-8.2!) USER MOD Single : A 889 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 890 GLN :FLIP amide:sc= -1.79 F(o=-2.5!,f=-1.8) USER MOD Single : A 893 TYR OH : rot 180:sc= -0.0276 USER MOD ----------------------------------------------------------------- ATOM 386 N ARG A 828 2.728 6.627 11.622 1.00 0.00 N ATOM 387 CA ARG A 828 3.920 6.684 10.785 1.00 0.00 C ATOM 388 C ARG A 828 4.674 5.358 10.822 1.00 0.00 C ATOM 389 O ARG A 828 4.698 4.620 9.838 1.00 0.00 O ATOM 390 CB ARG A 828 4.838 7.818 11.246 1.00 0.00 C ATOM 391 CG ARG A 828 6.130 7.916 10.451 1.00 0.00 C ATOM 392 CD ARG A 828 5.883 8.450 9.049 1.00 0.00 C ATOM 393 NE ARG A 828 5.503 9.860 9.059 1.00 0.00 N ATOM 394 CZ ARG A 828 6.381 10.857 9.101 1.00 0.00 C ATOM 395 NH1 ARG A 828 7.681 10.599 9.136 1.00 0.00 N ATOM 396 NH2 ARG A 828 5.958 12.114 9.107 1.00 0.00 N ATOM 0 HA ARG A 828 3.605 6.874 9.759 1.00 0.00 H new ATOM 0 HB2 ARG A 828 4.301 8.763 11.169 1.00 0.00 H new ATOM 0 HB3 ARG A 828 5.079 7.674 12.299 1.00 0.00 H new ATOM 0 HG2 ARG A 828 6.830 8.569 10.972 1.00 0.00 H new ATOM 0 HG3 ARG A 828 6.596 6.933 10.390 1.00 0.00 H new ATOM 0 HD2 ARG A 828 6.784 8.322 8.448 1.00 0.00 H new ATOM 0 HD3 ARG A 828 5.096 7.866 8.572 1.00 0.00 H new ATOM 0 HE ARG A 828 4.510 10.092 9.032 1.00 0.00 H new ATOM 0 HH11 ARG A 828 8.010 9.633 9.131 1.00 0.00 H new ATOM 0 HH12 ARG A 828 8.352 11.366 9.168 1.00 0.00 H new ATOM 0 HH21 ARG A 828 4.959 12.316 9.079 1.00 0.00 H new ATOM 0 HH22 ARG A 828 6.632 12.879 9.139 1.00 0.00 H new ATOM 410 N GLN A 829 5.288 5.064 11.964 1.00 0.00 N ATOM 411 CA GLN A 829 6.044 3.828 12.128 1.00 0.00 C ATOM 412 C GLN A 829 5.315 2.655 11.481 1.00 0.00 C ATOM 413 O GLN A 829 5.942 1.712 10.997 1.00 0.00 O ATOM 414 CB GLN A 829 6.279 3.542 13.612 1.00 0.00 C ATOM 415 CG GLN A 829 5.043 3.036 14.337 1.00 0.00 C ATOM 416 CD GLN A 829 5.382 2.240 15.582 1.00 0.00 C ATOM 417 OE1 GLN A 829 5.575 2.803 16.660 1.00 0.00 O ATOM 418 NE2 GLN A 829 5.458 0.921 15.440 1.00 0.00 N ATOM 0 H GLN A 829 5.277 5.664 12.788 1.00 0.00 H new ATOM 0 HA GLN A 829 7.007 3.952 11.633 1.00 0.00 H new ATOM 0 HB2 GLN A 829 7.075 2.804 13.710 1.00 0.00 H new ATOM 0 HB3 GLN A 829 6.628 4.453 14.098 1.00 0.00 H new ATOM 0 HG2 GLN A 829 4.415 3.884 14.612 1.00 0.00 H new ATOM 0 HG3 GLN A 829 4.459 2.413 13.660 1.00 0.00 H new ATOM 0 HE21 GLN A 829 5.291 0.496 14.528 1.00 0.00 H new ATOM 0 HE22 GLN A 829 5.684 0.334 16.243 1.00 0.00 H new ATOM 427 N TYR A 830 3.988 2.719 11.477 1.00 0.00 N ATOM 428 CA TYR A 830 3.173 1.660 10.893 1.00 0.00 C ATOM 429 C TYR A 830 3.145 1.771 9.372 1.00 0.00 C ATOM 430 O TYR A 830 3.160 0.764 8.665 1.00 0.00 O ATOM 431 CB TYR A 830 1.749 1.720 11.446 1.00 0.00 C ATOM 432 CG TYR A 830 1.605 1.096 12.816 1.00 0.00 C ATOM 433 CD1 TYR A 830 2.037 1.765 13.955 1.00 0.00 C ATOM 434 CD2 TYR A 830 1.035 -0.162 12.972 1.00 0.00 C ATOM 435 CE1 TYR A 830 1.908 1.198 15.208 1.00 0.00 C ATOM 436 CE2 TYR A 830 0.901 -0.735 14.222 1.00 0.00 C ATOM 437 CZ TYR A 830 1.339 -0.052 15.336 1.00 0.00 C ATOM 438 OH TYR A 830 1.207 -0.619 16.583 1.00 0.00 O ATOM 0 H TYR A 830 3.454 3.493 11.872 1.00 0.00 H new ATOM 0 HA TYR A 830 3.620 0.703 11.161 1.00 0.00 H new ATOM 0 HB2 TYR A 830 1.431 2.761 11.495 1.00 0.00 H new ATOM 0 HB3 TYR A 830 1.077 1.214 10.753 1.00 0.00 H new ATOM 0 HD1 TYR A 830 2.481 2.745 13.859 1.00 0.00 H new ATOM 0 HD2 TYR A 830 0.691 -0.701 12.101 1.00 0.00 H new ATOM 0 HE1 TYR A 830 2.251 1.731 16.083 1.00 0.00 H new ATOM 0 HE2 TYR A 830 0.455 -1.713 14.326 1.00 0.00 H new ATOM 0 HH TYR A 830 0.786 -1.500 16.499 1.00 0.00 H new ATOM 448 N GLN A 831 3.104 3.004 8.876 1.00 0.00 N ATOM 449 CA GLN A 831 3.073 3.248 7.439 1.00 0.00 C ATOM 450 C GLN A 831 4.316 2.678 6.763 1.00 0.00 C ATOM 451 O GLN A 831 4.222 2.001 5.739 1.00 0.00 O ATOM 452 CB GLN A 831 2.968 4.748 7.157 1.00 0.00 C ATOM 453 CG GLN A 831 1.542 5.274 7.190 1.00 0.00 C ATOM 454 CD GLN A 831 1.336 6.459 6.267 1.00 0.00 C ATOM 455 OE1 GLN A 831 1.832 6.477 5.140 1.00 0.00 O ATOM 456 NE2 GLN A 831 0.600 7.458 6.741 1.00 0.00 N ATOM 0 H GLN A 831 3.092 3.849 9.448 1.00 0.00 H new ATOM 0 HA GLN A 831 2.196 2.746 7.030 1.00 0.00 H new ATOM 0 HB2 GLN A 831 3.564 5.290 7.891 1.00 0.00 H new ATOM 0 HB3 GLN A 831 3.401 4.957 6.179 1.00 0.00 H new ATOM 0 HG2 GLN A 831 0.857 4.475 6.907 1.00 0.00 H new ATOM 0 HG3 GLN A 831 1.289 5.564 8.210 1.00 0.00 H new ATOM 0 HE21 GLN A 831 0.208 7.401 7.681 1.00 0.00 H new ATOM 0 HE22 GLN A 831 0.427 8.282 6.165 1.00 0.00 H new ATOM 465 N ILE A 832 5.479 2.956 7.343 1.00 0.00 N ATOM 466 CA ILE A 832 6.740 2.470 6.797 1.00 0.00 C ATOM 467 C ILE A 832 6.899 0.971 7.032 1.00 0.00 C ATOM 468 O ILE A 832 7.121 0.206 6.093 1.00 0.00 O ATOM 469 CB ILE A 832 7.943 3.205 7.417 1.00 0.00 C ATOM 470 CG1 ILE A 832 7.804 4.716 7.215 1.00 0.00 C ATOM 471 CG2 ILE A 832 9.243 2.702 6.808 1.00 0.00 C ATOM 472 CD1 ILE A 832 6.842 5.369 8.183 1.00 0.00 C ATOM 0 H ILE A 832 5.574 3.515 8.191 1.00 0.00 H new ATOM 0 HA ILE A 832 6.717 2.668 5.725 1.00 0.00 H new ATOM 0 HB ILE A 832 7.963 3.000 8.487 1.00 0.00 H new ATOM 0 HG12 ILE A 832 8.784 5.180 7.321 1.00 0.00 H new ATOM 0 HG13 ILE A 832 7.468 4.909 6.196 1.00 0.00 H new ATOM 0 HG21 ILE A 832 10.084 3.231 7.257 1.00 0.00 H new ATOM 0 HG22 ILE A 832 9.344 1.633 6.998 1.00 0.00 H new ATOM 0 HG23 ILE A 832 9.234 2.880 5.733 1.00 0.00 H new ATOM 0 HD11 ILE A 832 6.793 6.439 7.982 1.00 0.00 H new ATOM 0 HD12 ILE A 832 5.851 4.932 8.062 1.00 0.00 H new ATOM 0 HD13 ILE A 832 7.188 5.207 9.204 1.00 0.00 H new ATOM 484 N ASP A 833 6.782 0.559 8.289 1.00 0.00 N ATOM 485 CA ASP A 833 6.911 -0.849 8.647 1.00 0.00 C ATOM 486 C ASP A 833 5.956 -1.708 7.825 1.00 0.00 C ATOM 487 O ASP A 833 6.285 -2.832 7.447 1.00 0.00 O ATOM 488 CB ASP A 833 6.636 -1.044 10.139 1.00 0.00 C ATOM 489 CG ASP A 833 6.862 -2.475 10.587 1.00 0.00 C ATOM 490 OD1 ASP A 833 6.470 -3.398 9.842 1.00 0.00 O ATOM 491 OD2 ASP A 833 7.429 -2.672 11.682 1.00 0.00 O ATOM 0 H ASP A 833 6.598 1.180 9.077 1.00 0.00 H new ATOM 0 HA ASP A 833 7.932 -1.162 8.429 1.00 0.00 H new ATOM 0 HB2 ASP A 833 7.281 -0.380 10.714 1.00 0.00 H new ATOM 0 HB3 ASP A 833 5.607 -0.756 10.357 1.00 0.00 H new ATOM 496 N ALA A 834 4.771 -1.171 7.551 1.00 0.00 N ATOM 497 CA ALA A 834 3.769 -1.888 6.773 1.00 0.00 C ATOM 498 C ALA A 834 4.201 -2.028 5.317 1.00 0.00 C ATOM 499 O ALA A 834 4.172 -3.122 4.754 1.00 0.00 O ATOM 500 CB ALA A 834 2.426 -1.178 6.860 1.00 0.00 C ATOM 0 H ALA A 834 4.482 -0.242 7.857 1.00 0.00 H new ATOM 0 HA ALA A 834 3.667 -2.889 7.193 1.00 0.00 H new ATOM 0 HB1 ALA A 834 1.687 -1.724 6.274 1.00 0.00 H new ATOM 0 HB2 ALA A 834 2.104 -1.134 7.901 1.00 0.00 H new ATOM 0 HB3 ALA A 834 2.524 -0.166 6.468 1.00 0.00 H new ATOM 506 N ALA A 835 4.602 -0.914 4.714 1.00 0.00 N ATOM 507 CA ALA A 835 5.042 -0.914 3.324 1.00 0.00 C ATOM 508 C ALA A 835 6.209 -1.873 3.118 1.00 0.00 C ATOM 509 O ALA A 835 6.268 -2.589 2.117 1.00 0.00 O ATOM 510 CB ALA A 835 5.430 0.492 2.893 1.00 0.00 C ATOM 0 H ALA A 835 4.631 -0.000 5.166 1.00 0.00 H new ATOM 0 HA ALA A 835 4.211 -1.255 2.706 1.00 0.00 H new ATOM 0 HB1 ALA A 835 5.756 0.477 1.853 1.00 0.00 H new ATOM 0 HB2 ALA A 835 4.570 1.154 2.994 1.00 0.00 H new ATOM 0 HB3 ALA A 835 6.242 0.855 3.523 1.00 0.00 H new ATOM 516 N ILE A 836 7.136 -1.883 4.069 1.00 0.00 N ATOM 517 CA ILE A 836 8.302 -2.755 3.991 1.00 0.00 C ATOM 518 C ILE A 836 7.891 -4.223 3.995 1.00 0.00 C ATOM 519 O ILE A 836 8.191 -4.966 3.060 1.00 0.00 O ATOM 520 CB ILE A 836 9.274 -2.502 5.159 1.00 0.00 C ATOM 521 CG1 ILE A 836 9.773 -1.056 5.132 1.00 0.00 C ATOM 522 CG2 ILE A 836 10.443 -3.473 5.095 1.00 0.00 C ATOM 523 CD1 ILE A 836 10.339 -0.587 6.454 1.00 0.00 C ATOM 0 H ILE A 836 7.103 -1.297 4.903 1.00 0.00 H new ATOM 0 HA ILE A 836 8.807 -2.524 3.053 1.00 0.00 H new ATOM 0 HB ILE A 836 8.742 -2.665 6.096 1.00 0.00 H new ATOM 0 HG12 ILE A 836 10.539 -0.959 4.363 1.00 0.00 H new ATOM 0 HG13 ILE A 836 8.950 -0.401 4.846 1.00 0.00 H new ATOM 0 HG21 ILE A 836 11.121 -3.282 5.927 1.00 0.00 H new ATOM 0 HG22 ILE A 836 10.071 -4.495 5.158 1.00 0.00 H new ATOM 0 HG23 ILE A 836 10.976 -3.339 4.154 1.00 0.00 H new ATOM 0 HD11 ILE A 836 10.673 0.446 6.361 1.00 0.00 H new ATOM 0 HD12 ILE A 836 9.569 -0.651 7.223 1.00 0.00 H new ATOM 0 HD13 ILE A 836 11.183 -1.218 6.733 1.00 0.00 H new ATOM 535 N VAL A 837 7.201 -4.636 5.053 1.00 0.00 N ATOM 536 CA VAL A 837 6.745 -6.016 5.178 1.00 0.00 C ATOM 537 C VAL A 837 5.874 -6.416 3.993 1.00 0.00 C ATOM 538 O VAL A 837 5.941 -7.549 3.516 1.00 0.00 O ATOM 539 CB VAL A 837 5.951 -6.228 6.481 1.00 0.00 C ATOM 540 CG1 VAL A 837 5.274 -7.590 6.477 1.00 0.00 C ATOM 541 CG2 VAL A 837 6.861 -6.080 7.690 1.00 0.00 C ATOM 0 H VAL A 837 6.945 -4.035 5.836 1.00 0.00 H new ATOM 0 HA VAL A 837 7.636 -6.644 5.198 1.00 0.00 H new ATOM 0 HB VAL A 837 5.177 -5.463 6.543 1.00 0.00 H new ATOM 0 HG11 VAL A 837 4.718 -7.723 7.405 1.00 0.00 H new ATOM 0 HG12 VAL A 837 4.589 -7.653 5.631 1.00 0.00 H new ATOM 0 HG13 VAL A 837 6.029 -8.371 6.392 1.00 0.00 H new ATOM 0 HG21 VAL A 837 6.283 -6.233 8.601 1.00 0.00 H new ATOM 0 HG22 VAL A 837 7.659 -6.821 7.638 1.00 0.00 H new ATOM 0 HG23 VAL A 837 7.294 -5.080 7.699 1.00 0.00 H new ATOM 551 N ARG A 838 5.057 -5.479 3.523 1.00 0.00 N ATOM 552 CA ARG A 838 4.172 -5.735 2.393 1.00 0.00 C ATOM 553 C ARG A 838 4.974 -6.021 1.127 1.00 0.00 C ATOM 554 O ARG A 838 4.648 -6.934 0.368 1.00 0.00 O ATOM 555 CB ARG A 838 3.246 -4.539 2.163 1.00 0.00 C ATOM 556 CG ARG A 838 2.073 -4.482 3.127 1.00 0.00 C ATOM 557 CD ARG A 838 0.919 -5.352 2.653 1.00 0.00 C ATOM 558 NE ARG A 838 -0.039 -5.622 3.722 1.00 0.00 N ATOM 559 CZ ARG A 838 -1.262 -6.096 3.511 1.00 0.00 C ATOM 560 NH1 ARG A 838 -1.673 -6.351 2.277 1.00 0.00 N ATOM 561 NH2 ARG A 838 -2.075 -6.316 4.536 1.00 0.00 N ATOM 0 H ARG A 838 4.990 -4.536 3.907 1.00 0.00 H new ATOM 0 HA ARG A 838 3.570 -6.613 2.627 1.00 0.00 H new ATOM 0 HB2 ARG A 838 3.825 -3.620 2.254 1.00 0.00 H new ATOM 0 HB3 ARG A 838 2.865 -4.576 1.142 1.00 0.00 H new ATOM 0 HG2 ARG A 838 2.396 -4.811 4.115 1.00 0.00 H new ATOM 0 HG3 ARG A 838 1.735 -3.451 3.229 1.00 0.00 H new ATOM 0 HD2 ARG A 838 0.409 -4.858 1.826 1.00 0.00 H new ATOM 0 HD3 ARG A 838 1.310 -6.295 2.270 1.00 0.00 H new ATOM 0 HE ARG A 838 0.247 -5.436 4.683 1.00 0.00 H new ATOM 0 HH11 ARG A 838 -1.050 -6.183 1.487 1.00 0.00 H new ATOM 0 HH12 ARG A 838 -2.612 -6.715 2.117 1.00 0.00 H new ATOM 0 HH21 ARG A 838 -1.761 -6.121 5.487 1.00 0.00 H new ATOM 0 HH22 ARG A 838 -3.014 -6.680 4.373 1.00 0.00 H new ATOM 575 N ILE A 839 6.023 -5.236 0.907 1.00 0.00 N ATOM 576 CA ILE A 839 6.871 -5.406 -0.266 1.00 0.00 C ATOM 577 C ILE A 839 7.697 -6.685 -0.166 1.00 0.00 C ATOM 578 O ILE A 839 7.627 -7.550 -1.038 1.00 0.00 O ATOM 579 CB ILE A 839 7.821 -4.208 -0.452 1.00 0.00 C ATOM 580 CG1 ILE A 839 7.021 -2.930 -0.710 1.00 0.00 C ATOM 581 CG2 ILE A 839 8.790 -4.473 -1.595 1.00 0.00 C ATOM 582 CD1 ILE A 839 7.764 -1.666 -0.337 1.00 0.00 C ATOM 0 H ILE A 839 6.306 -4.476 1.526 1.00 0.00 H new ATOM 0 HA ILE A 839 6.208 -5.471 -1.129 1.00 0.00 H new ATOM 0 HB ILE A 839 8.397 -4.075 0.463 1.00 0.00 H new ATOM 0 HG12 ILE A 839 6.753 -2.886 -1.766 1.00 0.00 H new ATOM 0 HG13 ILE A 839 6.089 -2.974 -0.146 1.00 0.00 H new ATOM 0 HG21 ILE A 839 9.455 -3.617 -1.714 1.00 0.00 H new ATOM 0 HG22 ILE A 839 9.380 -5.363 -1.373 1.00 0.00 H new ATOM 0 HG23 ILE A 839 8.231 -4.629 -2.517 1.00 0.00 H new ATOM 0 HD11 ILE A 839 7.137 -0.800 -0.547 1.00 0.00 H new ATOM 0 HD12 ILE A 839 8.009 -1.688 0.725 1.00 0.00 H new ATOM 0 HD13 ILE A 839 8.683 -1.598 -0.920 1.00 0.00 H new ATOM 594 N MET A 840 8.477 -6.797 0.904 1.00 0.00 N ATOM 595 CA MET A 840 9.314 -7.971 1.119 1.00 0.00 C ATOM 596 C MET A 840 8.478 -9.247 1.093 1.00 0.00 C ATOM 597 O MET A 840 8.707 -10.135 0.272 1.00 0.00 O ATOM 598 CB MET A 840 10.054 -7.859 2.453 1.00 0.00 C ATOM 599 CG MET A 840 10.923 -6.617 2.564 1.00 0.00 C ATOM 600 SD MET A 840 11.381 -6.239 4.267 1.00 0.00 S ATOM 601 CE MET A 840 13.144 -5.977 4.093 1.00 0.00 C ATOM 0 H MET A 840 8.547 -6.089 1.635 1.00 0.00 H new ATOM 0 HA MET A 840 10.043 -8.019 0.310 1.00 0.00 H new ATOM 0 HB2 MET A 840 9.326 -7.856 3.264 1.00 0.00 H new ATOM 0 HB3 MET A 840 10.678 -8.742 2.588 1.00 0.00 H new ATOM 0 HG2 MET A 840 11.827 -6.757 1.971 1.00 0.00 H new ATOM 0 HG3 MET A 840 10.391 -5.767 2.138 1.00 0.00 H new ATOM 0 HE1 MET A 840 13.681 -6.831 4.505 1.00 0.00 H new ATOM 0 HE2 MET A 840 13.393 -5.867 3.038 1.00 0.00 H new ATOM 0 HE3 MET A 840 13.432 -5.073 4.630 1.00 0.00 H new ATOM 611 N LYS A 841 7.508 -9.331 1.997 1.00 0.00 N ATOM 612 CA LYS A 841 6.637 -10.498 2.078 1.00 0.00 C ATOM 613 C LYS A 841 6.334 -11.048 0.688 1.00 0.00 C ATOM 614 O LYS A 841 6.613 -12.210 0.396 1.00 0.00 O ATOM 615 CB LYS A 841 5.332 -10.136 2.791 1.00 0.00 C ATOM 616 CG LYS A 841 4.304 -11.254 2.783 1.00 0.00 C ATOM 617 CD LYS A 841 3.070 -10.883 3.587 1.00 0.00 C ATOM 618 CE LYS A 841 2.194 -12.098 3.857 1.00 0.00 C ATOM 619 NZ LYS A 841 1.223 -12.337 2.754 1.00 0.00 N ATOM 0 H LYS A 841 7.305 -8.605 2.684 1.00 0.00 H new ATOM 0 HA LYS A 841 7.155 -11.269 2.649 1.00 0.00 H new ATOM 0 HB2 LYS A 841 5.555 -9.866 3.823 1.00 0.00 H new ATOM 0 HB3 LYS A 841 4.901 -9.254 2.317 1.00 0.00 H new ATOM 0 HG2 LYS A 841 4.016 -11.477 1.756 1.00 0.00 H new ATOM 0 HG3 LYS A 841 4.748 -12.161 3.194 1.00 0.00 H new ATOM 0 HD2 LYS A 841 3.372 -10.434 4.533 1.00 0.00 H new ATOM 0 HD3 LYS A 841 2.495 -10.131 3.047 1.00 0.00 H new ATOM 0 HE2 LYS A 841 2.824 -12.979 3.984 1.00 0.00 H new ATOM 0 HE3 LYS A 841 1.653 -11.955 4.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 0.645 -13.173 2.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 0.605 -11.507 2.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 1.739 -12.499 1.866 1.00 0.00 H new ATOM 633 N MET A 842 5.762 -10.205 -0.165 1.00 0.00 N ATOM 634 CA MET A 842 5.424 -10.607 -1.526 1.00 0.00 C ATOM 635 C MET A 842 6.678 -10.981 -2.310 1.00 0.00 C ATOM 636 O MET A 842 6.669 -11.925 -3.100 1.00 0.00 O ATOM 637 CB MET A 842 4.678 -9.480 -2.243 1.00 0.00 C ATOM 638 CG MET A 842 3.230 -9.335 -1.804 1.00 0.00 C ATOM 639 SD MET A 842 2.500 -7.770 -2.323 1.00 0.00 S ATOM 640 CE MET A 842 1.907 -7.137 -0.757 1.00 0.00 C ATOM 0 H MET A 842 5.523 -9.240 0.062 1.00 0.00 H new ATOM 0 HA MET A 842 4.778 -11.483 -1.469 1.00 0.00 H new ATOM 0 HB2 MET A 842 5.199 -8.539 -2.065 1.00 0.00 H new ATOM 0 HB3 MET A 842 4.707 -9.662 -3.317 1.00 0.00 H new ATOM 0 HG2 MET A 842 2.646 -10.158 -2.215 1.00 0.00 H new ATOM 0 HG3 MET A 842 3.174 -9.415 -0.718 1.00 0.00 H new ATOM 0 HE1 MET A 842 0.827 -6.997 -0.807 1.00 0.00 H new ATOM 0 HE2 MET A 842 2.145 -7.846 0.036 1.00 0.00 H new ATOM 0 HE3 MET A 842 2.388 -6.182 -0.545 1.00 0.00 H new ATOM 650 N ARG A 843 7.755 -10.236 -2.085 1.00 0.00 N ATOM 651 CA ARG A 843 9.016 -10.489 -2.772 1.00 0.00 C ATOM 652 C ARG A 843 9.920 -11.390 -1.935 1.00 0.00 C ATOM 653 O ARG A 843 10.624 -10.923 -1.040 1.00 0.00 O ATOM 654 CB ARG A 843 9.732 -9.170 -3.073 1.00 0.00 C ATOM 655 CG ARG A 843 8.891 -8.191 -3.875 1.00 0.00 C ATOM 656 CD ARG A 843 8.906 -8.528 -5.358 1.00 0.00 C ATOM 657 NE ARG A 843 8.190 -7.534 -6.153 1.00 0.00 N ATOM 658 CZ ARG A 843 8.032 -7.621 -7.469 1.00 0.00 C ATOM 659 NH1 ARG A 843 8.538 -8.650 -8.135 1.00 0.00 N ATOM 660 NH2 ARG A 843 7.368 -6.676 -8.123 1.00 0.00 N ATOM 0 H ARG A 843 7.780 -9.452 -1.432 1.00 0.00 H new ATOM 0 HA ARG A 843 8.793 -10.996 -3.711 1.00 0.00 H new ATOM 0 HB2 ARG A 843 10.023 -8.701 -2.133 1.00 0.00 H new ATOM 0 HB3 ARG A 843 10.650 -9.381 -3.621 1.00 0.00 H new ATOM 0 HG2 ARG A 843 7.865 -8.205 -3.508 1.00 0.00 H new ATOM 0 HG3 ARG A 843 9.268 -7.179 -3.727 1.00 0.00 H new ATOM 0 HD2 ARG A 843 9.937 -8.594 -5.704 1.00 0.00 H new ATOM 0 HD3 ARG A 843 8.455 -9.508 -5.511 1.00 0.00 H new ATOM 0 HE ARG A 843 7.789 -6.729 -5.671 1.00 0.00 H new ATOM 0 HH11 ARG A 843 9.050 -9.378 -7.637 1.00 0.00 H new ATOM 0 HH12 ARG A 843 8.415 -8.714 -9.146 1.00 0.00 H new ATOM 0 HH21 ARG A 843 6.978 -5.882 -7.615 1.00 0.00 H new ATOM 0 HH22 ARG A 843 7.247 -6.744 -9.134 1.00 0.00 H new ATOM 674 N LYS A 844 9.894 -12.685 -2.233 1.00 0.00 N ATOM 675 CA LYS A 844 10.710 -13.653 -1.510 1.00 0.00 C ATOM 676 C LYS A 844 12.068 -13.058 -1.149 1.00 0.00 C ATOM 677 O LYS A 844 12.522 -13.166 -0.010 1.00 0.00 O ATOM 678 CB LYS A 844 10.902 -14.918 -2.350 1.00 0.00 C ATOM 679 CG LYS A 844 9.631 -15.730 -2.525 1.00 0.00 C ATOM 680 CD LYS A 844 9.282 -16.498 -1.261 1.00 0.00 C ATOM 681 CE LYS A 844 8.120 -17.453 -1.492 1.00 0.00 C ATOM 682 NZ LYS A 844 8.036 -18.492 -0.428 1.00 0.00 N ATOM 0 H LYS A 844 9.316 -13.088 -2.971 1.00 0.00 H new ATOM 0 HA LYS A 844 10.190 -13.912 -0.588 1.00 0.00 H new ATOM 0 HB2 LYS A 844 11.282 -14.638 -3.332 1.00 0.00 H new ATOM 0 HB3 LYS A 844 11.661 -15.544 -1.881 1.00 0.00 H new ATOM 0 HG2 LYS A 844 8.807 -15.066 -2.788 1.00 0.00 H new ATOM 0 HG3 LYS A 844 9.755 -16.428 -3.353 1.00 0.00 H new ATOM 0 HD2 LYS A 844 10.153 -17.059 -0.922 1.00 0.00 H new ATOM 0 HD3 LYS A 844 9.026 -15.797 -0.467 1.00 0.00 H new ATOM 0 HE2 LYS A 844 7.188 -16.889 -1.524 1.00 0.00 H new ATOM 0 HE3 LYS A 844 8.234 -17.936 -2.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 844 7.232 -19.123 -0.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 844 8.916 -19.047 -0.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 844 7.902 -18.033 0.496 1.00 0.00 H new ATOM 696 N THR A 845 12.712 -12.430 -2.128 1.00 0.00 N ATOM 697 CA THR A 845 14.018 -11.818 -1.913 1.00 0.00 C ATOM 698 C THR A 845 14.111 -10.464 -2.607 1.00 0.00 C ATOM 699 O THR A 845 13.908 -10.359 -3.817 1.00 0.00 O ATOM 700 CB THR A 845 15.153 -12.723 -2.426 1.00 0.00 C ATOM 701 OG1 THR A 845 15.164 -13.956 -1.697 1.00 0.00 O ATOM 702 CG2 THR A 845 16.502 -12.033 -2.284 1.00 0.00 C ATOM 0 H THR A 845 12.351 -12.332 -3.077 1.00 0.00 H new ATOM 0 HA THR A 845 14.130 -11.681 -0.837 1.00 0.00 H new ATOM 0 HB THR A 845 14.976 -12.927 -3.482 1.00 0.00 H new ATOM 0 HG1 THR A 845 15.932 -13.970 -1.089 1.00 0.00 H new ATOM 0 HG21 THR A 845 17.288 -12.692 -2.653 1.00 0.00 H new ATOM 0 HG22 THR A 845 16.501 -11.109 -2.863 1.00 0.00 H new ATOM 0 HG23 THR A 845 16.684 -11.803 -1.234 1.00 0.00 H new ATOM 710 N LEU A 846 14.419 -9.428 -1.834 1.00 0.00 N ATOM 711 CA LEU A 846 14.540 -8.079 -2.375 1.00 0.00 C ATOM 712 C LEU A 846 15.780 -7.381 -1.824 1.00 0.00 C ATOM 713 O LEU A 846 16.239 -7.686 -0.724 1.00 0.00 O ATOM 714 CB LEU A 846 13.291 -7.261 -2.043 1.00 0.00 C ATOM 715 CG LEU A 846 12.920 -6.166 -3.043 1.00 0.00 C ATOM 716 CD1 LEU A 846 12.522 -6.775 -4.378 1.00 0.00 C ATOM 717 CD2 LEU A 846 11.796 -5.300 -2.493 1.00 0.00 C ATOM 0 H LEU A 846 14.589 -9.497 -0.831 1.00 0.00 H new ATOM 0 HA LEU A 846 14.639 -8.156 -3.458 1.00 0.00 H new ATOM 0 HB2 LEU A 846 12.447 -7.945 -1.954 1.00 0.00 H new ATOM 0 HB3 LEU A 846 13.433 -6.800 -1.066 1.00 0.00 H new ATOM 0 HG LEU A 846 13.794 -5.534 -3.202 1.00 0.00 H new ATOM 0 HD11 LEU A 846 12.261 -5.980 -5.077 1.00 0.00 H new ATOM 0 HD12 LEU A 846 13.356 -7.351 -4.778 1.00 0.00 H new ATOM 0 HD13 LEU A 846 11.663 -7.431 -4.237 1.00 0.00 H new ATOM 0 HD21 LEU A 846 11.545 -4.526 -3.218 1.00 0.00 H new ATOM 0 HD22 LEU A 846 10.919 -5.919 -2.305 1.00 0.00 H new ATOM 0 HD23 LEU A 846 12.118 -4.834 -1.562 1.00 0.00 H new ATOM 729 N SER A 847 16.315 -6.441 -2.597 1.00 0.00 N ATOM 730 CA SER A 847 17.502 -5.700 -2.187 1.00 0.00 C ATOM 731 C SER A 847 17.117 -4.403 -1.481 1.00 0.00 C ATOM 732 O SER A 847 15.937 -4.071 -1.368 1.00 0.00 O ATOM 733 CB SER A 847 18.380 -5.390 -3.401 1.00 0.00 C ATOM 734 OG SER A 847 18.881 -6.581 -3.985 1.00 0.00 O ATOM 0 H SER A 847 15.946 -6.175 -3.510 1.00 0.00 H new ATOM 0 HA SER A 847 18.064 -6.321 -1.489 1.00 0.00 H new ATOM 0 HB2 SER A 847 17.802 -4.834 -4.139 1.00 0.00 H new ATOM 0 HB3 SER A 847 19.210 -4.752 -3.100 1.00 0.00 H new ATOM 0 HG SER A 847 19.438 -6.356 -4.760 1.00 0.00 H new ATOM 740 N HIS A 848 18.122 -3.674 -1.006 1.00 0.00 N ATOM 741 CA HIS A 848 17.890 -2.414 -0.310 1.00 0.00 C ATOM 742 C HIS A 848 17.315 -1.367 -1.260 1.00 0.00 C ATOM 743 O HIS A 848 16.446 -0.583 -0.882 1.00 0.00 O ATOM 744 CB HIS A 848 19.191 -1.899 0.306 1.00 0.00 C ATOM 745 CG HIS A 848 19.002 -0.719 1.208 1.00 0.00 C ATOM 746 ND1 HIS A 848 19.087 -0.800 2.581 1.00 0.00 N ATOM 747 CD2 HIS A 848 18.732 0.577 0.924 1.00 0.00 C ATOM 748 CE1 HIS A 848 18.875 0.395 3.105 1.00 0.00 C ATOM 749 NE2 HIS A 848 18.658 1.248 2.120 1.00 0.00 N ATOM 0 H HIS A 848 19.105 -3.934 -1.091 1.00 0.00 H new ATOM 0 HA HIS A 848 17.167 -2.595 0.485 1.00 0.00 H new ATOM 0 HB2 HIS A 848 19.660 -2.705 0.870 1.00 0.00 H new ATOM 0 HB3 HIS A 848 19.879 -1.627 -0.494 1.00 0.00 H new ATOM 0 HD2 HIS A 848 18.600 1.003 -0.059 1.00 0.00 H new ATOM 0 HE1 HIS A 848 18.879 0.633 4.158 1.00 0.00 H new ATOM 0 HE2 HIS A 848 18.466 2.244 2.230 1.00 0.00 H new ATOM 757 N ASN A 849 17.807 -1.361 -2.495 1.00 0.00 N ATOM 758 CA ASN A 849 17.342 -0.410 -3.498 1.00 0.00 C ATOM 759 C ASN A 849 15.893 -0.690 -3.883 1.00 0.00 C ATOM 760 O ASN A 849 15.063 0.219 -3.921 1.00 0.00 O ATOM 761 CB ASN A 849 18.233 -0.472 -4.741 1.00 0.00 C ATOM 762 CG ASN A 849 17.918 0.629 -5.734 1.00 0.00 C ATOM 763 OD1 ASN A 849 17.803 1.798 -5.365 1.00 0.00 O ATOM 764 ND2 ASN A 849 17.776 0.260 -7.001 1.00 0.00 N ATOM 0 H ASN A 849 18.527 -2.004 -2.825 1.00 0.00 H new ATOM 0 HA ASN A 849 17.398 0.590 -3.068 1.00 0.00 H new ATOM 0 HB2 ASN A 849 19.278 -0.398 -4.440 1.00 0.00 H new ATOM 0 HB3 ASN A 849 18.109 -1.441 -5.225 1.00 0.00 H new ATOM 0 HD21 ASN A 849 17.563 0.957 -7.714 1.00 0.00 H new ATOM 0 HD22 ASN A 849 17.880 -0.721 -7.261 1.00 0.00 H new ATOM 771 N LEU A 850 15.595 -1.953 -4.167 1.00 0.00 N ATOM 772 CA LEU A 850 14.245 -2.354 -4.548 1.00 0.00 C ATOM 773 C LEU A 850 13.261 -2.103 -3.410 1.00 0.00 C ATOM 774 O LEU A 850 12.087 -1.813 -3.643 1.00 0.00 O ATOM 775 CB LEU A 850 14.223 -3.832 -4.941 1.00 0.00 C ATOM 776 CG LEU A 850 14.501 -4.139 -6.413 1.00 0.00 C ATOM 777 CD1 LEU A 850 13.266 -3.868 -7.258 1.00 0.00 C ATOM 778 CD2 LEU A 850 15.682 -3.321 -6.914 1.00 0.00 C ATOM 0 H LEU A 850 16.270 -2.717 -4.141 1.00 0.00 H new ATOM 0 HA LEU A 850 13.941 -1.752 -5.405 1.00 0.00 H new ATOM 0 HB2 LEU A 850 14.960 -4.359 -4.335 1.00 0.00 H new ATOM 0 HB3 LEU A 850 13.246 -4.241 -4.683 1.00 0.00 H new ATOM 0 HG LEU A 850 14.752 -5.196 -6.503 1.00 0.00 H new ATOM 0 HD11 LEU A 850 13.483 -4.092 -8.302 1.00 0.00 H new ATOM 0 HD12 LEU A 850 12.445 -4.498 -6.915 1.00 0.00 H new ATOM 0 HD13 LEU A 850 12.983 -2.820 -7.163 1.00 0.00 H new ATOM 0 HD21 LEU A 850 15.866 -3.552 -7.963 1.00 0.00 H new ATOM 0 HD22 LEU A 850 15.459 -2.259 -6.810 1.00 0.00 H new ATOM 0 HD23 LEU A 850 16.568 -3.565 -6.328 1.00 0.00 H new ATOM 790 N LEU A 851 13.747 -2.215 -2.179 1.00 0.00 N ATOM 791 CA LEU A 851 12.911 -1.999 -1.004 1.00 0.00 C ATOM 792 C LEU A 851 12.516 -0.531 -0.879 1.00 0.00 C ATOM 793 O LEU A 851 11.354 -0.171 -1.070 1.00 0.00 O ATOM 794 CB LEU A 851 13.646 -2.450 0.260 1.00 0.00 C ATOM 795 CG LEU A 851 12.921 -2.202 1.583 1.00 0.00 C ATOM 796 CD1 LEU A 851 11.622 -2.992 1.636 1.00 0.00 C ATOM 797 CD2 LEU A 851 13.817 -2.565 2.758 1.00 0.00 C ATOM 0 H LEU A 851 14.716 -2.454 -1.969 1.00 0.00 H new ATOM 0 HA LEU A 851 12.004 -2.592 -1.121 1.00 0.00 H new ATOM 0 HB2 LEU A 851 13.851 -3.517 0.176 1.00 0.00 H new ATOM 0 HB3 LEU A 851 14.610 -1.942 0.296 1.00 0.00 H new ATOM 0 HG LEU A 851 12.680 -1.141 1.650 1.00 0.00 H new ATOM 0 HD11 LEU A 851 11.120 -2.803 2.585 1.00 0.00 H new ATOM 0 HD12 LEU A 851 10.975 -2.683 0.815 1.00 0.00 H new ATOM 0 HD13 LEU A 851 11.840 -4.056 1.546 1.00 0.00 H new ATOM 0 HD21 LEU A 851 13.285 -2.382 3.691 1.00 0.00 H new ATOM 0 HD22 LEU A 851 14.089 -3.619 2.696 1.00 0.00 H new ATOM 0 HD23 LEU A 851 14.720 -1.955 2.729 1.00 0.00 H new ATOM 809 N VAL A 852 13.492 0.314 -0.559 1.00 0.00 N ATOM 810 CA VAL A 852 13.247 1.744 -0.413 1.00 0.00 C ATOM 811 C VAL A 852 12.400 2.278 -1.562 1.00 0.00 C ATOM 812 O VAL A 852 11.449 3.029 -1.349 1.00 0.00 O ATOM 813 CB VAL A 852 14.567 2.535 -0.351 1.00 0.00 C ATOM 814 CG1 VAL A 852 15.401 2.092 0.841 1.00 0.00 C ATOM 815 CG2 VAL A 852 15.347 2.371 -1.647 1.00 0.00 C ATOM 0 H VAL A 852 14.459 0.033 -0.396 1.00 0.00 H new ATOM 0 HA VAL A 852 12.707 1.878 0.524 1.00 0.00 H new ATOM 0 HB VAL A 852 14.331 3.592 -0.226 1.00 0.00 H new ATOM 0 HG11 VAL A 852 16.329 2.662 0.868 1.00 0.00 H new ATOM 0 HG12 VAL A 852 14.842 2.265 1.761 1.00 0.00 H new ATOM 0 HG13 VAL A 852 15.630 1.030 0.750 1.00 0.00 H new ATOM 0 HG21 VAL A 852 16.277 2.936 -1.586 1.00 0.00 H new ATOM 0 HG22 VAL A 852 15.573 1.316 -1.805 1.00 0.00 H new ATOM 0 HG23 VAL A 852 14.750 2.742 -2.480 1.00 0.00 H new ATOM 825 N SER A 853 12.753 1.884 -2.782 1.00 0.00 N ATOM 826 CA SER A 853 12.027 2.325 -3.967 1.00 0.00 C ATOM 827 C SER A 853 10.539 2.012 -3.841 1.00 0.00 C ATOM 828 O SER A 853 9.701 2.912 -3.864 1.00 0.00 O ATOM 829 CB SER A 853 12.596 1.655 -5.219 1.00 0.00 C ATOM 830 OG SER A 853 11.732 1.829 -6.329 1.00 0.00 O ATOM 0 H SER A 853 13.537 1.261 -2.975 1.00 0.00 H new ATOM 0 HA SER A 853 12.147 3.405 -4.055 1.00 0.00 H new ATOM 0 HB2 SER A 853 13.575 2.076 -5.447 1.00 0.00 H new ATOM 0 HB3 SER A 853 12.742 0.591 -5.031 1.00 0.00 H new ATOM 0 HG SER A 853 12.119 1.393 -7.117 1.00 0.00 H new ATOM 836 N GLU A 854 10.220 0.728 -3.708 1.00 0.00 N ATOM 837 CA GLU A 854 8.834 0.296 -3.579 1.00 0.00 C ATOM 838 C GLU A 854 8.146 1.012 -2.420 1.00 0.00 C ATOM 839 O GLU A 854 7.028 1.509 -2.559 1.00 0.00 O ATOM 840 CB GLU A 854 8.766 -1.218 -3.369 1.00 0.00 C ATOM 841 CG GLU A 854 9.012 -2.020 -4.637 1.00 0.00 C ATOM 842 CD GLU A 854 7.840 -1.968 -5.597 1.00 0.00 C ATOM 843 OE1 GLU A 854 6.746 -2.444 -5.225 1.00 0.00 O ATOM 844 OE2 GLU A 854 8.016 -1.451 -6.720 1.00 0.00 O ATOM 0 H GLU A 854 10.902 -0.030 -3.687 1.00 0.00 H new ATOM 0 HA GLU A 854 8.314 0.552 -4.502 1.00 0.00 H new ATOM 0 HB2 GLU A 854 9.502 -1.506 -2.619 1.00 0.00 H new ATOM 0 HB3 GLU A 854 7.786 -1.477 -2.970 1.00 0.00 H new ATOM 0 HG2 GLU A 854 9.903 -1.639 -5.136 1.00 0.00 H new ATOM 0 HG3 GLU A 854 9.214 -3.058 -4.372 1.00 0.00 H new ATOM 851 N VAL A 855 8.822 1.059 -1.277 1.00 0.00 N ATOM 852 CA VAL A 855 8.278 1.714 -0.093 1.00 0.00 C ATOM 853 C VAL A 855 7.821 3.134 -0.412 1.00 0.00 C ATOM 854 O VAL A 855 6.669 3.496 -0.170 1.00 0.00 O ATOM 855 CB VAL A 855 9.312 1.763 1.047 1.00 0.00 C ATOM 856 CG1 VAL A 855 8.854 2.713 2.143 1.00 0.00 C ATOM 857 CG2 VAL A 855 9.554 0.369 1.606 1.00 0.00 C ATOM 0 H VAL A 855 9.748 0.651 -1.145 1.00 0.00 H new ATOM 0 HA VAL A 855 7.421 1.123 0.230 1.00 0.00 H new ATOM 0 HB VAL A 855 10.253 2.137 0.645 1.00 0.00 H new ATOM 0 HG11 VAL A 855 9.597 2.734 2.940 1.00 0.00 H new ATOM 0 HG12 VAL A 855 8.736 3.715 1.730 1.00 0.00 H new ATOM 0 HG13 VAL A 855 7.900 2.371 2.545 1.00 0.00 H new ATOM 0 HG21 VAL A 855 10.287 0.422 2.411 1.00 0.00 H new ATOM 0 HG22 VAL A 855 8.619 -0.035 1.993 1.00 0.00 H new ATOM 0 HG23 VAL A 855 9.930 -0.280 0.815 1.00 0.00 H new ATOM 867 N TYR A 856 8.731 3.934 -0.956 1.00 0.00 N ATOM 868 CA TYR A 856 8.423 5.315 -1.306 1.00 0.00 C ATOM 869 C TYR A 856 7.208 5.386 -2.225 1.00 0.00 C ATOM 870 O TYR A 856 6.353 6.258 -2.076 1.00 0.00 O ATOM 871 CB TYR A 856 9.627 5.972 -1.983 1.00 0.00 C ATOM 872 CG TYR A 856 10.825 6.126 -1.072 1.00 0.00 C ATOM 873 CD1 TYR A 856 10.673 6.551 0.242 1.00 0.00 C ATOM 874 CD2 TYR A 856 12.108 5.845 -1.526 1.00 0.00 C ATOM 875 CE1 TYR A 856 11.765 6.693 1.077 1.00 0.00 C ATOM 876 CE2 TYR A 856 13.205 5.983 -0.698 1.00 0.00 C ATOM 877 CZ TYR A 856 13.028 6.408 0.603 1.00 0.00 C ATOM 878 OH TYR A 856 14.118 6.547 1.432 1.00 0.00 O ATOM 0 H TYR A 856 9.688 3.650 -1.164 1.00 0.00 H new ATOM 0 HA TYR A 856 8.193 5.853 -0.387 1.00 0.00 H new ATOM 0 HB2 TYR A 856 9.915 5.378 -2.850 1.00 0.00 H new ATOM 0 HB3 TYR A 856 9.334 6.954 -2.353 1.00 0.00 H new ATOM 0 HD1 TYR A 856 9.685 6.774 0.617 1.00 0.00 H new ATOM 0 HD2 TYR A 856 12.250 5.513 -2.544 1.00 0.00 H new ATOM 0 HE1 TYR A 856 11.630 7.026 2.096 1.00 0.00 H new ATOM 0 HE2 TYR A 856 14.195 5.760 -1.067 1.00 0.00 H new ATOM 0 HH TYR A 856 14.933 6.305 0.944 1.00 0.00 H new ATOM 888 N ASN A 857 7.139 4.460 -3.176 1.00 0.00 N ATOM 889 CA ASN A 857 6.028 4.416 -4.121 1.00 0.00 C ATOM 890 C ASN A 857 4.708 4.171 -3.397 1.00 0.00 C ATOM 891 O ASN A 857 3.654 4.631 -3.835 1.00 0.00 O ATOM 892 CB ASN A 857 6.262 3.322 -5.164 1.00 0.00 C ATOM 893 CG ASN A 857 5.185 3.302 -6.232 1.00 0.00 C ATOM 894 OD1 ASN A 857 5.168 4.146 -7.127 1.00 0.00 O ATOM 895 ND2 ASN A 857 4.280 2.334 -6.141 1.00 0.00 N ATOM 0 H ASN A 857 7.839 3.730 -3.313 1.00 0.00 H new ATOM 0 HA ASN A 857 5.972 5.382 -4.624 1.00 0.00 H new ATOM 0 HB2 ASN A 857 7.234 3.474 -5.634 1.00 0.00 H new ATOM 0 HB3 ASN A 857 6.296 2.352 -4.668 1.00 0.00 H new ATOM 0 HD21 ASN A 857 3.532 2.269 -6.831 1.00 0.00 H new ATOM 0 HD22 ASN A 857 4.334 1.656 -5.381 1.00 0.00 H new ATOM 902 N GLN A 858 4.774 3.443 -2.287 1.00 0.00 N ATOM 903 CA GLN A 858 3.584 3.136 -1.502 1.00 0.00 C ATOM 904 C GLN A 858 3.239 4.288 -0.563 1.00 0.00 C ATOM 905 O GLN A 858 2.066 4.583 -0.331 1.00 0.00 O ATOM 906 CB GLN A 858 3.794 1.852 -0.698 1.00 0.00 C ATOM 907 CG GLN A 858 3.597 0.585 -1.514 1.00 0.00 C ATOM 908 CD GLN A 858 2.148 0.142 -1.564 1.00 0.00 C ATOM 909 OE1 GLN A 858 1.326 0.577 -0.758 1.00 0.00 O ATOM 910 NE2 GLN A 858 1.828 -0.728 -2.515 1.00 0.00 N ATOM 0 H GLN A 858 5.639 3.055 -1.911 1.00 0.00 H new ATOM 0 HA GLN A 858 2.752 2.992 -2.192 1.00 0.00 H new ATOM 0 HB2 GLN A 858 4.802 1.854 -0.283 1.00 0.00 H new ATOM 0 HB3 GLN A 858 3.102 1.843 0.144 1.00 0.00 H new ATOM 0 HG2 GLN A 858 3.957 0.752 -2.529 1.00 0.00 H new ATOM 0 HG3 GLN A 858 4.203 -0.215 -1.088 1.00 0.00 H new ATOM 0 HE21 GLN A 858 2.542 -1.062 -3.162 1.00 0.00 H new ATOM 0 HE22 GLN A 858 0.868 -1.062 -2.598 1.00 0.00 H new ATOM 919 N LEU A 859 4.268 4.934 -0.026 1.00 0.00 N ATOM 920 CA LEU A 859 4.074 6.054 0.889 1.00 0.00 C ATOM 921 C LEU A 859 3.988 7.372 0.126 1.00 0.00 C ATOM 922 O LEU A 859 4.862 7.694 -0.680 1.00 0.00 O ATOM 923 CB LEU A 859 5.218 6.113 1.903 1.00 0.00 C ATOM 924 CG LEU A 859 5.529 4.809 2.640 1.00 0.00 C ATOM 925 CD1 LEU A 859 6.508 5.059 3.777 1.00 0.00 C ATOM 926 CD2 LEU A 859 4.250 4.174 3.165 1.00 0.00 C ATOM 0 H LEU A 859 5.244 4.702 -0.208 1.00 0.00 H new ATOM 0 HA LEU A 859 3.134 5.900 1.419 1.00 0.00 H new ATOM 0 HB2 LEU A 859 6.120 6.438 1.385 1.00 0.00 H new ATOM 0 HB3 LEU A 859 4.982 6.878 2.643 1.00 0.00 H new ATOM 0 HG LEU A 859 5.991 4.117 1.935 1.00 0.00 H new ATOM 0 HD11 LEU A 859 6.717 4.120 4.290 1.00 0.00 H new ATOM 0 HD12 LEU A 859 7.435 5.468 3.375 1.00 0.00 H new ATOM 0 HD13 LEU A 859 6.074 5.768 4.482 1.00 0.00 H new ATOM 0 HD21 LEU A 859 4.491 3.248 3.686 1.00 0.00 H new ATOM 0 HD22 LEU A 859 3.759 4.861 3.854 1.00 0.00 H new ATOM 0 HD23 LEU A 859 3.582 3.958 2.331 1.00 0.00 H new ATOM 938 N LYS A 860 2.930 8.132 0.386 1.00 0.00 N ATOM 939 CA LYS A 860 2.730 9.417 -0.273 1.00 0.00 C ATOM 940 C LYS A 860 3.792 10.423 0.162 1.00 0.00 C ATOM 941 O LYS A 860 4.096 11.371 -0.562 1.00 0.00 O ATOM 942 CB LYS A 860 1.336 9.964 0.043 1.00 0.00 C ATOM 943 CG LYS A 860 0.210 9.149 -0.570 1.00 0.00 C ATOM 944 CD LYS A 860 0.235 9.216 -2.088 1.00 0.00 C ATOM 945 CE LYS A 860 -1.077 8.734 -2.688 1.00 0.00 C ATOM 946 NZ LYS A 860 -1.355 9.379 -4.001 1.00 0.00 N ATOM 0 H LYS A 860 2.197 7.880 1.049 1.00 0.00 H new ATOM 0 HA LYS A 860 2.819 9.263 -1.348 1.00 0.00 H new ATOM 0 HB2 LYS A 860 1.204 9.995 1.124 1.00 0.00 H new ATOM 0 HB3 LYS A 860 1.268 10.991 -0.316 1.00 0.00 H new ATOM 0 HG2 LYS A 860 0.295 8.111 -0.249 1.00 0.00 H new ATOM 0 HG3 LYS A 860 -0.748 9.518 -0.204 1.00 0.00 H new ATOM 0 HD2 LYS A 860 0.427 10.241 -2.405 1.00 0.00 H new ATOM 0 HD3 LYS A 860 1.055 8.607 -2.467 1.00 0.00 H new ATOM 0 HE2 LYS A 860 -1.043 7.652 -2.815 1.00 0.00 H new ATOM 0 HE3 LYS A 860 -1.893 8.949 -1.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 860 -2.257 9.025 -4.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 860 -1.413 10.410 -3.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 860 -0.589 9.153 -4.668 1.00 0.00 H new ATOM 960 N PHE A 861 4.354 10.208 1.347 1.00 0.00 N ATOM 961 CA PHE A 861 5.382 11.095 1.877 1.00 0.00 C ATOM 962 C PHE A 861 6.706 10.354 2.044 1.00 0.00 C ATOM 963 O PHE A 861 6.746 9.147 2.279 1.00 0.00 O ATOM 964 CB PHE A 861 4.939 11.679 3.221 1.00 0.00 C ATOM 965 CG PHE A 861 4.632 10.635 4.256 1.00 0.00 C ATOM 966 CD1 PHE A 861 5.632 9.809 4.744 1.00 0.00 C ATOM 967 CD2 PHE A 861 3.343 10.478 4.740 1.00 0.00 C ATOM 968 CE1 PHE A 861 5.353 8.848 5.698 1.00 0.00 C ATOM 969 CE2 PHE A 861 3.058 9.519 5.693 1.00 0.00 C ATOM 970 CZ PHE A 861 4.064 8.702 6.172 1.00 0.00 C ATOM 0 H PHE A 861 4.115 9.427 1.958 1.00 0.00 H new ATOM 0 HA PHE A 861 5.527 11.908 1.165 1.00 0.00 H new ATOM 0 HB2 PHE A 861 5.723 12.335 3.599 1.00 0.00 H new ATOM 0 HB3 PHE A 861 4.054 12.297 3.066 1.00 0.00 H new ATOM 0 HD1 PHE A 861 6.641 9.917 4.375 1.00 0.00 H new ATOM 0 HD2 PHE A 861 2.552 11.113 4.368 1.00 0.00 H new ATOM 0 HE1 PHE A 861 6.142 8.212 6.072 1.00 0.00 H new ATOM 0 HE2 PHE A 861 2.050 9.408 6.063 1.00 0.00 H new ATOM 0 HZ PHE A 861 3.843 7.951 6.916 1.00 0.00 H new ATOM 980 N PRO A 862 7.818 11.095 1.918 1.00 0.00 N ATOM 981 CA PRO A 862 9.164 10.530 2.051 1.00 0.00 C ATOM 982 C PRO A 862 9.482 10.119 3.484 1.00 0.00 C ATOM 983 O PRO A 862 8.851 10.592 4.430 1.00 0.00 O ATOM 984 CB PRO A 862 10.075 11.679 1.609 1.00 0.00 C ATOM 985 CG PRO A 862 9.283 12.913 1.872 1.00 0.00 C ATOM 986 CD PRO A 862 7.845 12.540 1.638 1.00 0.00 C ATOM 0 HA PRO A 862 9.285 9.621 1.462 1.00 0.00 H new ATOM 0 HB2 PRO A 862 11.010 11.681 2.170 1.00 0.00 H new ATOM 0 HB3 PRO A 862 10.336 11.594 0.554 1.00 0.00 H new ATOM 0 HG2 PRO A 862 9.434 13.263 2.893 1.00 0.00 H new ATOM 0 HG3 PRO A 862 9.589 13.722 1.209 1.00 0.00 H new ATOM 0 HD2 PRO A 862 7.175 13.090 2.298 1.00 0.00 H new ATOM 0 HD3 PRO A 862 7.535 12.757 0.616 1.00 0.00 H new ATOM 994 N VAL A 863 10.464 9.237 3.638 1.00 0.00 N ATOM 995 CA VAL A 863 10.867 8.764 4.957 1.00 0.00 C ATOM 996 C VAL A 863 12.334 9.075 5.228 1.00 0.00 C ATOM 997 O VAL A 863 13.175 8.990 4.333 1.00 0.00 O ATOM 998 CB VAL A 863 10.640 7.247 5.103 1.00 0.00 C ATOM 999 CG1 VAL A 863 11.086 6.770 6.476 1.00 0.00 C ATOM 1000 CG2 VAL A 863 9.179 6.901 4.857 1.00 0.00 C ATOM 0 H VAL A 863 10.995 8.835 2.866 1.00 0.00 H new ATOM 0 HA VAL A 863 10.247 9.289 5.684 1.00 0.00 H new ATOM 0 HB VAL A 863 11.242 6.733 4.354 1.00 0.00 H new ATOM 0 HG11 VAL A 863 10.918 5.696 6.560 1.00 0.00 H new ATOM 0 HG12 VAL A 863 12.147 6.983 6.608 1.00 0.00 H new ATOM 0 HG13 VAL A 863 10.513 7.288 7.245 1.00 0.00 H new ATOM 0 HG21 VAL A 863 9.037 5.826 4.964 1.00 0.00 H new ATOM 0 HG22 VAL A 863 8.554 7.424 5.581 1.00 0.00 H new ATOM 0 HG23 VAL A 863 8.898 7.205 3.849 1.00 0.00 H new ATOM 1010 N LYS A 864 12.637 9.436 6.471 1.00 0.00 N ATOM 1011 CA LYS A 864 14.003 9.759 6.863 1.00 0.00 C ATOM 1012 C LYS A 864 14.881 8.512 6.855 1.00 0.00 C ATOM 1013 O LYS A 864 14.405 7.387 7.012 1.00 0.00 O ATOM 1014 CB LYS A 864 14.019 10.398 8.254 1.00 0.00 C ATOM 1015 CG LYS A 864 13.372 11.771 8.300 1.00 0.00 C ATOM 1016 CD LYS A 864 13.973 12.634 9.397 1.00 0.00 C ATOM 1017 CE LYS A 864 13.144 13.886 9.638 1.00 0.00 C ATOM 1018 NZ LYS A 864 13.867 14.876 10.483 1.00 0.00 N ATOM 0 H LYS A 864 11.954 9.512 7.224 1.00 0.00 H new ATOM 0 HA LYS A 864 14.404 10.469 6.139 1.00 0.00 H new ATOM 0 HB2 LYS A 864 13.504 9.739 8.953 1.00 0.00 H new ATOM 0 HB3 LYS A 864 15.051 10.480 8.595 1.00 0.00 H new ATOM 0 HG2 LYS A 864 13.497 12.266 7.337 1.00 0.00 H new ATOM 0 HG3 LYS A 864 12.300 11.664 8.466 1.00 0.00 H new ATOM 0 HD2 LYS A 864 14.040 12.057 10.320 1.00 0.00 H new ATOM 0 HD3 LYS A 864 14.990 12.916 9.123 1.00 0.00 H new ATOM 0 HE2 LYS A 864 12.889 14.342 8.682 1.00 0.00 H new ATOM 0 HE3 LYS A 864 12.206 13.613 10.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 864 13.269 15.715 10.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 864 14.088 14.449 11.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 864 14.750 15.156 10.011 1.00 0.00 H new ATOM 1032 N PRO A 865 16.194 8.712 6.668 1.00 0.00 N ATOM 1033 CA PRO A 865 17.166 7.615 6.637 1.00 0.00 C ATOM 1034 C PRO A 865 17.359 6.973 8.006 1.00 0.00 C ATOM 1035 O PRO A 865 17.533 5.760 8.114 1.00 0.00 O ATOM 1036 CB PRO A 865 18.457 8.298 6.180 1.00 0.00 C ATOM 1037 CG PRO A 865 18.299 9.721 6.590 1.00 0.00 C ATOM 1038 CD PRO A 865 16.831 10.026 6.473 1.00 0.00 C ATOM 0 HA PRO A 865 16.843 6.803 5.985 1.00 0.00 H new ATOM 0 HB2 PRO A 865 19.331 7.846 6.649 1.00 0.00 H new ATOM 0 HB3 PRO A 865 18.591 8.209 5.102 1.00 0.00 H new ATOM 0 HG2 PRO A 865 18.649 9.874 7.611 1.00 0.00 H new ATOM 0 HG3 PRO A 865 18.886 10.379 5.950 1.00 0.00 H new ATOM 0 HD2 PRO A 865 16.508 10.745 7.226 1.00 0.00 H new ATOM 0 HD3 PRO A 865 16.585 10.452 5.500 1.00 0.00 H new ATOM 1046 N ALA A 866 17.327 7.795 9.050 1.00 0.00 N ATOM 1047 CA ALA A 866 17.496 7.306 10.413 1.00 0.00 C ATOM 1048 C ALA A 866 16.387 6.328 10.787 1.00 0.00 C ATOM 1049 O ALA A 866 16.654 5.181 11.146 1.00 0.00 O ATOM 1050 CB ALA A 866 17.527 8.471 11.391 1.00 0.00 C ATOM 0 H ALA A 866 17.186 8.803 8.978 1.00 0.00 H new ATOM 0 HA ALA A 866 18.446 6.775 10.467 1.00 0.00 H new ATOM 0 HB1 ALA A 866 17.654 8.092 12.405 1.00 0.00 H new ATOM 0 HB2 ALA A 866 18.358 9.131 11.144 1.00 0.00 H new ATOM 0 HB3 ALA A 866 16.591 9.026 11.326 1.00 0.00 H new ATOM 1056 N ASP A 867 15.144 6.789 10.700 1.00 0.00 N ATOM 1057 CA ASP A 867 13.995 5.954 11.029 1.00 0.00 C ATOM 1058 C ASP A 867 13.871 4.790 10.051 1.00 0.00 C ATOM 1059 O ASP A 867 13.786 3.630 10.457 1.00 0.00 O ATOM 1060 CB ASP A 867 12.712 6.787 11.016 1.00 0.00 C ATOM 1061 CG ASP A 867 12.688 7.830 12.115 1.00 0.00 C ATOM 1062 OD1 ASP A 867 13.726 8.490 12.329 1.00 0.00 O ATOM 1063 OD2 ASP A 867 11.631 7.987 12.762 1.00 0.00 O ATOM 0 H ASP A 867 14.907 7.736 10.405 1.00 0.00 H new ATOM 0 HA ASP A 867 14.146 5.549 12.030 1.00 0.00 H new ATOM 0 HB2 ASP A 867 12.612 7.280 10.049 1.00 0.00 H new ATOM 0 HB3 ASP A 867 11.852 6.126 11.127 1.00 0.00 H new ATOM 1068 N LEU A 868 13.860 5.107 8.761 1.00 0.00 N ATOM 1069 CA LEU A 868 13.745 4.088 7.724 1.00 0.00 C ATOM 1070 C LEU A 868 14.671 2.910 8.012 1.00 0.00 C ATOM 1071 O LEU A 868 14.228 1.765 8.101 1.00 0.00 O ATOM 1072 CB LEU A 868 14.073 4.686 6.355 1.00 0.00 C ATOM 1073 CG LEU A 868 14.082 3.708 5.179 1.00 0.00 C ATOM 1074 CD1 LEU A 868 12.662 3.320 4.798 1.00 0.00 C ATOM 1075 CD2 LEU A 868 14.810 4.313 3.988 1.00 0.00 C ATOM 0 H LEU A 868 13.929 6.062 8.408 1.00 0.00 H new ATOM 0 HA LEU A 868 12.717 3.725 7.719 1.00 0.00 H new ATOM 0 HB2 LEU A 868 13.349 5.473 6.142 1.00 0.00 H new ATOM 0 HB3 LEU A 868 15.052 5.161 6.414 1.00 0.00 H new ATOM 0 HG LEU A 868 14.614 2.807 5.484 1.00 0.00 H new ATOM 0 HD11 LEU A 868 12.688 2.624 3.960 1.00 0.00 H new ATOM 0 HD12 LEU A 868 12.174 2.845 5.649 1.00 0.00 H new ATOM 0 HD13 LEU A 868 12.105 4.212 4.512 1.00 0.00 H new ATOM 0 HD21 LEU A 868 14.807 3.603 3.161 1.00 0.00 H new ATOM 0 HD22 LEU A 868 14.307 5.230 3.682 1.00 0.00 H new ATOM 0 HD23 LEU A 868 15.839 4.540 4.267 1.00 0.00 H new ATOM 1087 N LYS A 869 15.959 3.200 8.159 1.00 0.00 N ATOM 1088 CA LYS A 869 16.949 2.167 8.441 1.00 0.00 C ATOM 1089 C LYS A 869 16.592 1.405 9.714 1.00 0.00 C ATOM 1090 O LYS A 869 16.639 0.175 9.748 1.00 0.00 O ATOM 1091 CB LYS A 869 18.340 2.789 8.579 1.00 0.00 C ATOM 1092 CG LYS A 869 19.077 2.929 7.259 1.00 0.00 C ATOM 1093 CD LYS A 869 20.510 3.391 7.466 1.00 0.00 C ATOM 1094 CE LYS A 869 20.601 4.907 7.541 1.00 0.00 C ATOM 1095 NZ LYS A 869 21.859 5.355 8.201 1.00 0.00 N ATOM 0 H LYS A 869 16.342 4.143 8.088 1.00 0.00 H new ATOM 0 HA LYS A 869 16.953 1.465 7.607 1.00 0.00 H new ATOM 0 HB2 LYS A 869 18.245 3.773 9.039 1.00 0.00 H new ATOM 0 HB3 LYS A 869 18.937 2.177 9.256 1.00 0.00 H new ATOM 0 HG2 LYS A 869 19.074 1.972 6.737 1.00 0.00 H new ATOM 0 HG3 LYS A 869 18.553 3.641 6.622 1.00 0.00 H new ATOM 0 HD2 LYS A 869 20.905 2.956 8.384 1.00 0.00 H new ATOM 0 HD3 LYS A 869 21.132 3.028 6.648 1.00 0.00 H new ATOM 0 HE2 LYS A 869 20.550 5.324 6.535 1.00 0.00 H new ATOM 0 HE3 LYS A 869 19.744 5.296 8.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 869 21.883 6.394 8.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 869 21.896 4.978 9.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 869 22.677 5.006 7.662 1.00 0.00 H new ATOM 1109 N LYS A 870 16.235 2.143 10.759 1.00 0.00 N ATOM 1110 CA LYS A 870 15.867 1.538 12.034 1.00 0.00 C ATOM 1111 C LYS A 870 14.730 0.537 11.853 1.00 0.00 C ATOM 1112 O LYS A 870 14.781 -0.575 12.378 1.00 0.00 O ATOM 1113 CB LYS A 870 15.455 2.619 13.035 1.00 0.00 C ATOM 1114 CG LYS A 870 16.612 3.161 13.857 1.00 0.00 C ATOM 1115 CD LYS A 870 16.124 4.052 14.987 1.00 0.00 C ATOM 1116 CE LYS A 870 17.224 4.981 15.478 1.00 0.00 C ATOM 1117 NZ LYS A 870 18.241 4.256 16.290 1.00 0.00 N ATOM 0 H LYS A 870 16.193 3.162 10.748 1.00 0.00 H new ATOM 0 HA LYS A 870 16.737 1.007 12.420 1.00 0.00 H new ATOM 0 HB2 LYS A 870 14.987 3.442 12.495 1.00 0.00 H new ATOM 0 HB3 LYS A 870 14.702 2.210 13.709 1.00 0.00 H new ATOM 0 HG2 LYS A 870 17.187 2.332 14.269 1.00 0.00 H new ATOM 0 HG3 LYS A 870 17.285 3.726 13.212 1.00 0.00 H new ATOM 0 HD2 LYS A 870 15.273 4.642 14.645 1.00 0.00 H new ATOM 0 HD3 LYS A 870 15.772 3.434 15.813 1.00 0.00 H new ATOM 0 HE2 LYS A 870 17.710 5.452 14.623 1.00 0.00 H new ATOM 0 HE3 LYS A 870 16.785 5.780 16.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 870 18.973 4.924 16.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 870 17.782 3.828 17.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 870 18.679 3.510 15.713 1.00 0.00 H new ATOM 1131 N ARG A 871 13.706 0.940 11.108 1.00 0.00 N ATOM 1132 CA ARG A 871 12.557 0.078 10.858 1.00 0.00 C ATOM 1133 C ARG A 871 12.991 -1.229 10.200 1.00 0.00 C ATOM 1134 O ARG A 871 12.670 -2.315 10.683 1.00 0.00 O ATOM 1135 CB ARG A 871 11.538 0.795 9.971 1.00 0.00 C ATOM 1136 CG ARG A 871 10.765 1.887 10.691 1.00 0.00 C ATOM 1137 CD ARG A 871 9.816 1.307 11.728 1.00 0.00 C ATOM 1138 NE ARG A 871 10.459 1.146 13.029 1.00 0.00 N ATOM 1139 CZ ARG A 871 9.839 0.667 14.102 1.00 0.00 C ATOM 1140 NH1 ARG A 871 8.566 0.303 14.028 1.00 0.00 N ATOM 1141 NH2 ARG A 871 10.492 0.550 15.251 1.00 0.00 N ATOM 0 H ARG A 871 13.649 1.858 10.667 1.00 0.00 H new ATOM 0 HA ARG A 871 12.093 -0.155 11.817 1.00 0.00 H new ATOM 0 HB2 ARG A 871 12.056 1.231 9.117 1.00 0.00 H new ATOM 0 HB3 ARG A 871 10.834 0.063 9.577 1.00 0.00 H new ATOM 0 HG2 ARG A 871 11.463 2.569 11.176 1.00 0.00 H new ATOM 0 HG3 ARG A 871 10.200 2.472 9.966 1.00 0.00 H new ATOM 0 HD2 ARG A 871 8.949 1.959 11.831 1.00 0.00 H new ATOM 0 HD3 ARG A 871 9.449 0.340 11.383 1.00 0.00 H new ATOM 0 HE ARG A 871 11.438 1.416 13.119 1.00 0.00 H new ATOM 0 HH11 ARG A 871 8.061 0.391 13.146 1.00 0.00 H new ATOM 0 HH12 ARG A 871 8.092 -0.065 14.853 1.00 0.00 H new ATOM 0 HH21 ARG A 871 11.472 0.828 15.312 1.00 0.00 H new ATOM 0 HH22 ARG A 871 10.014 0.182 16.074 1.00 0.00 H new ATOM 1155 N ILE A 872 13.720 -1.115 9.095 1.00 0.00 N ATOM 1156 CA ILE A 872 14.197 -2.287 8.371 1.00 0.00 C ATOM 1157 C ILE A 872 14.984 -3.217 9.288 1.00 0.00 C ATOM 1158 O ILE A 872 14.548 -4.329 9.581 1.00 0.00 O ATOM 1159 CB ILE A 872 15.086 -1.888 7.178 1.00 0.00 C ATOM 1160 CG1 ILE A 872 14.319 -0.967 6.228 1.00 0.00 C ATOM 1161 CG2 ILE A 872 15.574 -3.128 6.443 1.00 0.00 C ATOM 1162 CD1 ILE A 872 15.199 -0.292 5.199 1.00 0.00 C ATOM 0 H ILE A 872 13.993 -0.223 8.682 1.00 0.00 H new ATOM 0 HA ILE A 872 13.315 -2.808 7.999 1.00 0.00 H new ATOM 0 HB ILE A 872 15.954 -1.348 7.556 1.00 0.00 H new ATOM 0 HG12 ILE A 872 13.552 -1.546 5.714 1.00 0.00 H new ATOM 0 HG13 ILE A 872 13.805 -0.203 6.812 1.00 0.00 H new ATOM 0 HG21 ILE A 872 16.201 -2.830 5.603 1.00 0.00 H new ATOM 0 HG22 ILE A 872 16.153 -3.751 7.125 1.00 0.00 H new ATOM 0 HG23 ILE A 872 14.718 -3.693 6.074 1.00 0.00 H new ATOM 0 HD11 ILE A 872 14.588 0.346 4.560 1.00 0.00 H new ATOM 0 HD12 ILE A 872 15.950 0.314 5.705 1.00 0.00 H new ATOM 0 HD13 ILE A 872 15.693 -1.049 4.590 1.00 0.00 H new ATOM 1174 N GLU A 873 16.145 -2.751 9.740 1.00 0.00 N ATOM 1175 CA GLU A 873 16.991 -3.541 10.626 1.00 0.00 C ATOM 1176 C GLU A 873 16.151 -4.298 11.650 1.00 0.00 C ATOM 1177 O GLU A 873 16.216 -5.524 11.739 1.00 0.00 O ATOM 1178 CB GLU A 873 17.999 -2.640 11.342 1.00 0.00 C ATOM 1179 CG GLU A 873 19.038 -2.032 10.415 1.00 0.00 C ATOM 1180 CD GLU A 873 20.129 -1.294 11.166 1.00 0.00 C ATOM 1181 OE1 GLU A 873 19.922 -0.108 11.499 1.00 0.00 O ATOM 1182 OE2 GLU A 873 21.190 -1.901 11.421 1.00 0.00 O ATOM 0 H GLU A 873 16.520 -1.831 9.507 1.00 0.00 H new ATOM 0 HA GLU A 873 17.531 -4.267 10.018 1.00 0.00 H new ATOM 0 HB2 GLU A 873 17.461 -1.838 11.847 1.00 0.00 H new ATOM 0 HB3 GLU A 873 18.507 -3.219 12.113 1.00 0.00 H new ATOM 0 HG2 GLU A 873 19.487 -2.821 9.812 1.00 0.00 H new ATOM 0 HG3 GLU A 873 18.547 -1.344 9.726 1.00 0.00 H new ATOM 1189 N SER A 874 15.362 -3.558 12.422 1.00 0.00 N ATOM 1190 CA SER A 874 14.511 -4.157 13.444 1.00 0.00 C ATOM 1191 C SER A 874 13.725 -5.334 12.874 1.00 0.00 C ATOM 1192 O SER A 874 13.832 -6.461 13.360 1.00 0.00 O ATOM 1193 CB SER A 874 13.548 -3.113 14.012 1.00 0.00 C ATOM 1194 OG SER A 874 12.740 -3.668 15.036 1.00 0.00 O ATOM 0 H SER A 874 15.294 -2.542 12.359 1.00 0.00 H new ATOM 0 HA SER A 874 15.151 -4.524 14.246 1.00 0.00 H new ATOM 0 HB2 SER A 874 14.113 -2.269 14.408 1.00 0.00 H new ATOM 0 HB3 SER A 874 12.914 -2.726 13.214 1.00 0.00 H new ATOM 0 HG SER A 874 12.135 -2.980 15.384 1.00 0.00 H new ATOM 1200 N LEU A 875 12.934 -5.064 11.841 1.00 0.00 N ATOM 1201 CA LEU A 875 12.129 -6.100 11.203 1.00 0.00 C ATOM 1202 C LEU A 875 12.967 -7.341 10.914 1.00 0.00 C ATOM 1203 O LEU A 875 12.538 -8.465 11.172 1.00 0.00 O ATOM 1204 CB LEU A 875 11.516 -5.570 9.905 1.00 0.00 C ATOM 1205 CG LEU A 875 10.470 -4.465 10.059 1.00 0.00 C ATOM 1206 CD1 LEU A 875 10.233 -3.766 8.729 1.00 0.00 C ATOM 1207 CD2 LEU A 875 9.169 -5.035 10.604 1.00 0.00 C ATOM 0 H LEU A 875 12.833 -4.137 11.428 1.00 0.00 H new ATOM 0 HA LEU A 875 11.329 -6.377 11.889 1.00 0.00 H new ATOM 0 HB2 LEU A 875 12.321 -5.195 9.273 1.00 0.00 H new ATOM 0 HB3 LEU A 875 11.058 -6.405 9.375 1.00 0.00 H new ATOM 0 HG LEU A 875 10.847 -3.730 10.770 1.00 0.00 H new ATOM 0 HD11 LEU A 875 9.486 -2.983 8.858 1.00 0.00 H new ATOM 0 HD12 LEU A 875 11.166 -3.324 8.379 1.00 0.00 H new ATOM 0 HD13 LEU A 875 9.877 -4.490 7.996 1.00 0.00 H new ATOM 0 HD21 LEU A 875 8.436 -4.235 10.707 1.00 0.00 H new ATOM 0 HD22 LEU A 875 8.787 -5.791 9.918 1.00 0.00 H new ATOM 0 HD23 LEU A 875 9.350 -5.489 11.578 1.00 0.00 H new ATOM 1219 N ILE A 876 14.164 -7.128 10.379 1.00 0.00 N ATOM 1220 CA ILE A 876 15.064 -8.229 10.058 1.00 0.00 C ATOM 1221 C ILE A 876 15.355 -9.078 11.291 1.00 0.00 C ATOM 1222 O ILE A 876 15.437 -10.303 11.208 1.00 0.00 O ATOM 1223 CB ILE A 876 16.394 -7.718 9.474 1.00 0.00 C ATOM 1224 CG1 ILE A 876 16.135 -6.849 8.242 1.00 0.00 C ATOM 1225 CG2 ILE A 876 17.303 -8.886 9.123 1.00 0.00 C ATOM 1226 CD1 ILE A 876 17.398 -6.422 7.527 1.00 0.00 C ATOM 0 H ILE A 876 14.533 -6.203 10.159 1.00 0.00 H new ATOM 0 HA ILE A 876 14.560 -8.840 9.309 1.00 0.00 H new ATOM 0 HB ILE A 876 16.893 -7.108 10.227 1.00 0.00 H new ATOM 0 HG12 ILE A 876 15.502 -7.399 7.546 1.00 0.00 H new ATOM 0 HG13 ILE A 876 15.580 -5.961 8.544 1.00 0.00 H new ATOM 0 HG21 ILE A 876 18.239 -8.508 8.711 1.00 0.00 H new ATOM 0 HG22 ILE A 876 17.510 -9.468 10.021 1.00 0.00 H new ATOM 0 HG23 ILE A 876 16.812 -9.520 8.385 1.00 0.00 H new ATOM 0 HD11 ILE A 876 17.138 -5.809 6.664 1.00 0.00 H new ATOM 0 HD12 ILE A 876 18.024 -5.844 8.207 1.00 0.00 H new ATOM 0 HD13 ILE A 876 17.944 -7.305 7.194 1.00 0.00 H new ATOM 1238 N ASP A 877 15.510 -8.418 12.433 1.00 0.00 N ATOM 1239 CA ASP A 877 15.790 -9.112 13.685 1.00 0.00 C ATOM 1240 C ASP A 877 14.504 -9.648 14.308 1.00 0.00 C ATOM 1241 O ASP A 877 14.543 -10.476 15.218 1.00 0.00 O ATOM 1242 CB ASP A 877 16.494 -8.173 14.666 1.00 0.00 C ATOM 1243 CG ASP A 877 17.406 -8.916 15.623 1.00 0.00 C ATOM 1244 OD1 ASP A 877 18.114 -9.841 15.172 1.00 0.00 O ATOM 1245 OD2 ASP A 877 17.414 -8.570 16.823 1.00 0.00 O ATOM 0 H ASP A 877 15.447 -7.404 12.518 1.00 0.00 H new ATOM 0 HA ASP A 877 16.446 -9.955 13.467 1.00 0.00 H new ATOM 0 HB2 ASP A 877 17.077 -7.440 14.108 1.00 0.00 H new ATOM 0 HB3 ASP A 877 15.747 -7.620 15.236 1.00 0.00 H new ATOM 1250 N ARG A 878 13.368 -9.168 13.813 1.00 0.00 N ATOM 1251 CA ARG A 878 12.071 -9.598 14.323 1.00 0.00 C ATOM 1252 C ARG A 878 11.619 -10.886 13.642 1.00 0.00 C ATOM 1253 O ARG A 878 10.427 -11.190 13.596 1.00 0.00 O ATOM 1254 CB ARG A 878 11.027 -8.501 14.108 1.00 0.00 C ATOM 1255 CG ARG A 878 10.921 -7.525 15.268 1.00 0.00 C ATOM 1256 CD ARG A 878 10.094 -6.304 14.896 1.00 0.00 C ATOM 1257 NE ARG A 878 8.679 -6.630 14.735 1.00 0.00 N ATOM 1258 CZ ARG A 878 7.750 -5.734 14.423 1.00 0.00 C ATOM 1259 NH1 ARG A 878 8.084 -4.464 14.238 1.00 0.00 N ATOM 1260 NH2 ARG A 878 6.483 -6.107 14.294 1.00 0.00 N ATOM 0 H ARG A 878 13.319 -8.482 13.060 1.00 0.00 H new ATOM 0 HA ARG A 878 12.173 -9.789 15.391 1.00 0.00 H new ATOM 0 HB2 ARG A 878 11.274 -7.949 13.201 1.00 0.00 H new ATOM 0 HB3 ARG A 878 10.054 -8.964 13.944 1.00 0.00 H new ATOM 0 HG2 ARG A 878 10.469 -8.025 16.125 1.00 0.00 H new ATOM 0 HG3 ARG A 878 11.919 -7.211 15.573 1.00 0.00 H new ATOM 0 HD2 ARG A 878 10.205 -5.542 15.668 1.00 0.00 H new ATOM 0 HD3 ARG A 878 10.475 -5.877 13.969 1.00 0.00 H new ATOM 0 HE ARG A 878 8.389 -7.599 14.870 1.00 0.00 H new ATOM 0 HH11 ARG A 878 9.057 -4.173 14.335 1.00 0.00 H new ATOM 0 HH12 ARG A 878 7.368 -3.778 13.998 1.00 0.00 H new ATOM 0 HH21 ARG A 878 6.222 -7.083 14.435 1.00 0.00 H new ATOM 0 HH22 ARG A 878 5.770 -5.418 14.054 1.00 0.00 H new ATOM 1274 N ASP A 879 12.579 -11.639 13.115 1.00 0.00 N ATOM 1275 CA ASP A 879 12.280 -12.895 12.437 1.00 0.00 C ATOM 1276 C ASP A 879 11.357 -12.662 11.244 1.00 0.00 C ATOM 1277 O ASP A 879 10.343 -13.342 11.089 1.00 0.00 O ATOM 1278 CB ASP A 879 11.636 -13.884 13.410 1.00 0.00 C ATOM 1279 CG ASP A 879 12.621 -14.411 14.435 1.00 0.00 C ATOM 1280 OD1 ASP A 879 12.855 -13.716 15.446 1.00 0.00 O ATOM 1281 OD2 ASP A 879 13.156 -15.520 14.227 1.00 0.00 O ATOM 0 H ASP A 879 13.570 -11.401 13.144 1.00 0.00 H new ATOM 0 HA ASP A 879 13.218 -13.315 12.072 1.00 0.00 H new ATOM 0 HB2 ASP A 879 10.807 -13.397 13.924 1.00 0.00 H new ATOM 0 HB3 ASP A 879 11.217 -14.720 12.850 1.00 0.00 H new ATOM 1286 N TYR A 880 11.716 -11.697 10.405 1.00 0.00 N ATOM 1287 CA TYR A 880 10.918 -11.372 9.228 1.00 0.00 C ATOM 1288 C TYR A 880 11.765 -11.442 7.960 1.00 0.00 C ATOM 1289 O TYR A 880 11.292 -11.873 6.909 1.00 0.00 O ATOM 1290 CB TYR A 880 10.306 -9.978 9.370 1.00 0.00 C ATOM 1291 CG TYR A 880 9.078 -9.942 10.250 1.00 0.00 C ATOM 1292 CD1 TYR A 880 7.820 -10.225 9.732 1.00 0.00 C ATOM 1293 CD2 TYR A 880 9.175 -9.626 11.599 1.00 0.00 C ATOM 1294 CE1 TYR A 880 6.694 -10.193 10.533 1.00 0.00 C ATOM 1295 CE2 TYR A 880 8.055 -9.593 12.408 1.00 0.00 C ATOM 1296 CZ TYR A 880 6.817 -9.877 11.870 1.00 0.00 C ATOM 1297 OH TYR A 880 5.698 -9.846 12.671 1.00 0.00 O ATOM 0 H TYR A 880 12.554 -11.126 10.518 1.00 0.00 H new ATOM 0 HA TYR A 880 10.117 -12.106 9.149 1.00 0.00 H new ATOM 0 HB2 TYR A 880 11.056 -9.301 9.780 1.00 0.00 H new ATOM 0 HB3 TYR A 880 10.045 -9.603 8.381 1.00 0.00 H new ATOM 0 HD1 TYR A 880 7.720 -10.474 8.686 1.00 0.00 H new ATOM 0 HD2 TYR A 880 10.143 -9.402 12.023 1.00 0.00 H new ATOM 0 HE1 TYR A 880 5.723 -10.414 10.114 1.00 0.00 H new ATOM 0 HE2 TYR A 880 8.148 -9.346 13.455 1.00 0.00 H new ATOM 0 HH TYR A 880 5.957 -9.608 13.586 1.00 0.00 H new ATOM 1307 N MET A 881 13.019 -11.016 8.070 1.00 0.00 N ATOM 1308 CA MET A 881 13.933 -11.032 6.934 1.00 0.00 C ATOM 1309 C MET A 881 15.354 -11.355 7.384 1.00 0.00 C ATOM 1310 O MET A 881 15.768 -10.978 8.479 1.00 0.00 O ATOM 1311 CB MET A 881 13.907 -9.683 6.213 1.00 0.00 C ATOM 1312 CG MET A 881 12.515 -9.248 5.786 1.00 0.00 C ATOM 1313 SD MET A 881 11.882 -10.208 4.397 1.00 0.00 S ATOM 1314 CE MET A 881 12.899 -9.582 3.062 1.00 0.00 C ATOM 0 H MET A 881 13.425 -10.656 8.934 1.00 0.00 H new ATOM 0 HA MET A 881 13.604 -11.810 6.245 1.00 0.00 H new ATOM 0 HB2 MET A 881 14.331 -8.922 6.868 1.00 0.00 H new ATOM 0 HB3 MET A 881 14.547 -9.739 5.333 1.00 0.00 H new ATOM 0 HG2 MET A 881 11.833 -9.346 6.631 1.00 0.00 H new ATOM 0 HG3 MET A 881 12.536 -8.193 5.514 1.00 0.00 H new ATOM 0 HE1 MET A 881 12.502 -9.930 2.108 1.00 0.00 H new ATOM 0 HE2 MET A 881 12.894 -8.492 3.081 1.00 0.00 H new ATOM 0 HE3 MET A 881 13.920 -9.943 3.183 1.00 0.00 H new ATOM 1324 N GLU A 882 16.096 -12.055 6.531 1.00 0.00 N ATOM 1325 CA GLU A 882 17.470 -12.428 6.843 1.00 0.00 C ATOM 1326 C GLU A 882 18.447 -11.764 5.877 1.00 0.00 C ATOM 1327 O GLU A 882 18.172 -11.644 4.683 1.00 0.00 O ATOM 1328 CB GLU A 882 17.634 -13.949 6.786 1.00 0.00 C ATOM 1329 CG GLU A 882 17.292 -14.548 5.432 1.00 0.00 C ATOM 1330 CD GLU A 882 17.850 -15.947 5.256 1.00 0.00 C ATOM 1331 OE1 GLU A 882 17.638 -16.787 6.155 1.00 0.00 O ATOM 1332 OE2 GLU A 882 18.498 -16.201 4.219 1.00 0.00 O ATOM 0 H GLU A 882 15.768 -12.375 5.619 1.00 0.00 H new ATOM 0 HA GLU A 882 17.693 -12.083 7.853 1.00 0.00 H new ATOM 0 HB2 GLU A 882 18.663 -14.205 7.037 1.00 0.00 H new ATOM 0 HB3 GLU A 882 16.998 -14.403 7.546 1.00 0.00 H new ATOM 0 HG2 GLU A 882 16.209 -14.575 5.314 1.00 0.00 H new ATOM 0 HG3 GLU A 882 17.682 -13.903 4.644 1.00 0.00 H new ATOM 1339 N ARG A 883 19.589 -11.334 6.403 1.00 0.00 N ATOM 1340 CA ARG A 883 20.607 -10.680 5.589 1.00 0.00 C ATOM 1341 C ARG A 883 21.396 -11.704 4.778 1.00 0.00 C ATOM 1342 O ARG A 883 22.070 -12.568 5.339 1.00 0.00 O ATOM 1343 CB ARG A 883 21.558 -9.873 6.474 1.00 0.00 C ATOM 1344 CG ARG A 883 20.933 -8.613 7.050 1.00 0.00 C ATOM 1345 CD ARG A 883 21.988 -7.571 7.386 1.00 0.00 C ATOM 1346 NE ARG A 883 22.941 -8.058 8.379 1.00 0.00 N ATOM 1347 CZ ARG A 883 23.701 -7.260 9.121 1.00 0.00 C ATOM 1348 NH1 ARG A 883 23.619 -5.944 8.983 1.00 0.00 N ATOM 1349 NH2 ARG A 883 24.546 -7.778 10.004 1.00 0.00 N ATOM 0 H ARG A 883 19.833 -11.427 7.389 1.00 0.00 H new ATOM 0 HA ARG A 883 20.104 -10.004 4.898 1.00 0.00 H new ATOM 0 HB2 ARG A 883 21.902 -10.505 7.293 1.00 0.00 H new ATOM 0 HB3 ARG A 883 22.438 -9.598 5.892 1.00 0.00 H new ATOM 0 HG2 ARG A 883 20.224 -8.197 6.334 1.00 0.00 H new ATOM 0 HG3 ARG A 883 20.368 -8.863 7.948 1.00 0.00 H new ATOM 0 HD2 ARG A 883 22.522 -7.290 6.478 1.00 0.00 H new ATOM 0 HD3 ARG A 883 21.502 -6.671 7.761 1.00 0.00 H new ATOM 0 HE ARG A 883 23.028 -9.066 8.510 1.00 0.00 H new ATOM 0 HH11 ARG A 883 22.971 -5.542 8.306 1.00 0.00 H new ATOM 0 HH12 ARG A 883 24.204 -5.334 9.554 1.00 0.00 H new ATOM 0 HH21 ARG A 883 24.612 -8.790 10.113 1.00 0.00 H new ATOM 0 HH22 ARG A 883 25.129 -7.164 10.573 1.00 0.00 H new ATOM 1363 N ASP A 884 21.305 -11.602 3.457 1.00 0.00 N ATOM 1364 CA ASP A 884 22.010 -12.519 2.568 1.00 0.00 C ATOM 1365 C ASP A 884 23.498 -12.564 2.904 1.00 0.00 C ATOM 1366 O ASP A 884 24.199 -11.557 2.802 1.00 0.00 O ATOM 1367 CB ASP A 884 21.816 -12.100 1.110 1.00 0.00 C ATOM 1368 CG ASP A 884 21.967 -13.263 0.149 1.00 0.00 C ATOM 1369 OD1 ASP A 884 22.906 -14.067 0.333 1.00 0.00 O ATOM 1370 OD2 ASP A 884 21.147 -13.370 -0.786 1.00 0.00 O ATOM 0 H ASP A 884 20.750 -10.893 2.977 1.00 0.00 H new ATOM 0 HA ASP A 884 21.593 -13.516 2.709 1.00 0.00 H new ATOM 0 HB2 ASP A 884 20.826 -11.659 0.990 1.00 0.00 H new ATOM 0 HB3 ASP A 884 22.542 -11.327 0.857 1.00 0.00 H new ATOM 1375 N LYS A 885 23.973 -13.738 3.305 1.00 0.00 N ATOM 1376 CA LYS A 885 25.377 -13.916 3.656 1.00 0.00 C ATOM 1377 C LYS A 885 26.283 -13.232 2.637 1.00 0.00 C ATOM 1378 O LYS A 885 27.326 -12.682 2.991 1.00 0.00 O ATOM 1379 CB LYS A 885 25.718 -15.406 3.738 1.00 0.00 C ATOM 1380 CG LYS A 885 25.326 -16.047 5.058 1.00 0.00 C ATOM 1381 CD LYS A 885 26.391 -15.832 6.121 1.00 0.00 C ATOM 1382 CE LYS A 885 25.883 -16.211 7.504 1.00 0.00 C ATOM 1383 NZ LYS A 885 26.775 -15.702 8.581 1.00 0.00 N ATOM 0 H LYS A 885 23.406 -14.581 3.395 1.00 0.00 H new ATOM 0 HA LYS A 885 25.544 -13.457 4.630 1.00 0.00 H new ATOM 0 HB2 LYS A 885 25.215 -15.931 2.925 1.00 0.00 H new ATOM 0 HB3 LYS A 885 26.790 -15.534 3.585 1.00 0.00 H new ATOM 0 HG2 LYS A 885 24.380 -15.628 5.400 1.00 0.00 H new ATOM 0 HG3 LYS A 885 25.167 -17.115 4.912 1.00 0.00 H new ATOM 0 HD2 LYS A 885 27.272 -16.427 5.880 1.00 0.00 H new ATOM 0 HD3 LYS A 885 26.702 -14.787 6.120 1.00 0.00 H new ATOM 0 HE2 LYS A 885 24.879 -15.810 7.644 1.00 0.00 H new ATOM 0 HE3 LYS A 885 25.807 -17.296 7.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 885 26.394 -15.981 9.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 885 27.727 -16.104 8.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 885 26.828 -14.665 8.527 1.00 0.00 H new ATOM 1397 N GLU A 886 25.878 -13.269 1.372 1.00 0.00 N ATOM 1398 CA GLU A 886 26.654 -12.651 0.303 1.00 0.00 C ATOM 1399 C GLU A 886 26.846 -11.160 0.562 1.00 0.00 C ATOM 1400 O GLU A 886 27.937 -10.623 0.377 1.00 0.00 O ATOM 1401 CB GLU A 886 25.963 -12.861 -1.046 1.00 0.00 C ATOM 1402 CG GLU A 886 24.897 -11.823 -1.352 1.00 0.00 C ATOM 1403 CD GLU A 886 24.401 -11.900 -2.783 1.00 0.00 C ATOM 1404 OE1 GLU A 886 24.646 -12.934 -3.440 1.00 0.00 O ATOM 1405 OE2 GLU A 886 23.768 -10.928 -3.246 1.00 0.00 O ATOM 0 H GLU A 886 25.017 -13.720 1.062 1.00 0.00 H new ATOM 0 HA GLU A 886 27.634 -13.127 0.279 1.00 0.00 H new ATOM 0 HB2 GLU A 886 26.714 -12.842 -1.836 1.00 0.00 H new ATOM 0 HB3 GLU A 886 25.509 -13.852 -1.062 1.00 0.00 H new ATOM 0 HG2 GLU A 886 24.056 -11.960 -0.672 1.00 0.00 H new ATOM 0 HG3 GLU A 886 25.300 -10.828 -1.164 1.00 0.00 H new ATOM 1412 N ASN A 887 25.776 -10.497 0.990 1.00 0.00 N ATOM 1413 CA ASN A 887 25.826 -9.067 1.274 1.00 0.00 C ATOM 1414 C ASN A 887 24.598 -8.627 2.065 1.00 0.00 C ATOM 1415 O ASN A 887 23.488 -9.118 1.860 1.00 0.00 O ATOM 1416 CB ASN A 887 25.920 -8.271 -0.029 1.00 0.00 C ATOM 1417 CG ASN A 887 24.734 -8.515 -0.943 1.00 0.00 C ATOM 1418 OD1 ASN A 887 23.581 -8.401 -0.526 1.00 0.00 O ATOM 1419 ND2 ASN A 887 25.013 -8.853 -2.196 1.00 0.00 N ATOM 0 H ASN A 887 24.865 -10.927 1.148 1.00 0.00 H new ATOM 0 HA ASN A 887 26.713 -8.871 1.876 1.00 0.00 H new ATOM 0 HB2 ASN A 887 25.984 -7.208 0.202 1.00 0.00 H new ATOM 0 HB3 ASN A 887 26.839 -8.540 -0.551 1.00 0.00 H new ATOM 0 HD21 ASN A 887 24.257 -9.030 -2.857 1.00 0.00 H new ATOM 0 HD22 ASN A 887 25.984 -8.936 -2.498 1.00 0.00 H new ATOM 1426 N PRO A 888 24.800 -7.678 2.991 1.00 0.00 N ATOM 1427 CA PRO A 888 23.721 -7.149 3.830 1.00 0.00 C ATOM 1428 C PRO A 888 22.731 -6.302 3.038 1.00 0.00 C ATOM 1429 O PRO A 888 21.760 -5.786 3.589 1.00 0.00 O ATOM 1430 CB PRO A 888 24.461 -6.286 4.856 1.00 0.00 C ATOM 1431 CG PRO A 888 25.727 -5.892 4.177 1.00 0.00 C ATOM 1432 CD PRO A 888 26.097 -7.047 3.288 1.00 0.00 C ATOM 0 HA PRO A 888 23.122 -7.945 4.273 1.00 0.00 H new ATOM 0 HB2 PRO A 888 23.873 -5.412 5.136 1.00 0.00 H new ATOM 0 HB3 PRO A 888 24.660 -6.843 5.772 1.00 0.00 H new ATOM 0 HG2 PRO A 888 25.591 -4.980 3.596 1.00 0.00 H new ATOM 0 HG3 PRO A 888 26.514 -5.692 4.904 1.00 0.00 H new ATOM 0 HD2 PRO A 888 26.598 -6.711 2.380 1.00 0.00 H new ATOM 0 HD3 PRO A 888 26.775 -7.738 3.789 1.00 0.00 H new ATOM 1440 N ASN A 889 22.983 -6.165 1.740 1.00 0.00 N ATOM 1441 CA ASN A 889 22.113 -5.381 0.871 1.00 0.00 C ATOM 1442 C ASN A 889 20.915 -6.206 0.413 1.00 0.00 C ATOM 1443 O ASN A 889 19.881 -5.658 0.032 1.00 0.00 O ATOM 1444 CB ASN A 889 22.893 -4.875 -0.344 1.00 0.00 C ATOM 1445 CG ASN A 889 24.099 -4.043 0.048 1.00 0.00 C ATOM 1446 OD1 ASN A 889 25.166 -4.578 0.347 1.00 0.00 O ATOM 1447 ND2 ASN A 889 23.933 -2.725 0.047 1.00 0.00 N ATOM 0 H ASN A 889 23.782 -6.587 1.267 1.00 0.00 H new ATOM 0 HA ASN A 889 21.747 -4.527 1.440 1.00 0.00 H new ATOM 0 HB2 ASN A 889 23.221 -5.726 -0.942 1.00 0.00 H new ATOM 0 HB3 ASN A 889 22.233 -4.278 -0.973 1.00 0.00 H new ATOM 0 HD21 ASN A 889 24.708 -2.113 0.301 1.00 0.00 H new ATOM 0 HD22 ASN A 889 23.030 -2.325 -0.208 1.00 0.00 H new ATOM 1454 N GLN A 890 21.062 -7.527 0.454 1.00 0.00 N ATOM 1455 CA GLN A 890 19.992 -8.428 0.043 1.00 0.00 C ATOM 1456 C GLN A 890 19.305 -9.045 1.257 1.00 0.00 C ATOM 1457 O GLN A 890 19.963 -9.469 2.207 1.00 0.00 O ATOM 1458 CB GLN A 890 20.544 -9.531 -0.861 1.00 0.00 C ATOM 1459 CG GLN A 890 19.514 -10.584 -1.235 1.00 0.00 C ATOM 1460 CD GLN A 890 19.808 -11.240 -2.569 1.00 0.00 C ATOM 1461 OE1 GLN A 890 19.708 -12.564 -2.613 1.00 0.00 O flip ATOM 1462 NE2 GLN A 890 20.122 -10.566 -3.551 1.00 0.00 N flip ATOM 0 H GLN A 890 21.912 -7.996 0.768 1.00 0.00 H new ATOM 0 HA GLN A 890 19.256 -7.848 -0.513 1.00 0.00 H new ATOM 0 HB2 GLN A 890 20.937 -9.080 -1.772 1.00 0.00 H new ATOM 0 HB3 GLN A 890 21.381 -10.016 -0.359 1.00 0.00 H new ATOM 0 HG2 GLN A 890 19.482 -11.348 -0.458 1.00 0.00 H new ATOM 0 HG3 GLN A 890 18.526 -10.124 -1.270 1.00 0.00 H new ATOM 0 HE21 GLN A 890 20.187 -9.551 -3.473 1.00 0.00 H new ATOM 0 HE22 GLN A 890 20.317 -11.023 -4.442 1.00 0.00 H new ATOM 1471 N TYR A 891 17.978 -9.093 1.218 1.00 0.00 N ATOM 1472 CA TYR A 891 17.201 -9.657 2.315 1.00 0.00 C ATOM 1473 C TYR A 891 16.251 -10.739 1.811 1.00 0.00 C ATOM 1474 O TYR A 891 15.598 -10.576 0.781 1.00 0.00 O ATOM 1475 CB TYR A 891 16.409 -8.557 3.024 1.00 0.00 C ATOM 1476 CG TYR A 891 17.222 -7.315 3.312 1.00 0.00 C ATOM 1477 CD1 TYR A 891 18.317 -7.360 4.167 1.00 0.00 C ATOM 1478 CD2 TYR A 891 16.896 -6.097 2.729 1.00 0.00 C ATOM 1479 CE1 TYR A 891 19.061 -6.227 4.433 1.00 0.00 C ATOM 1480 CE2 TYR A 891 17.636 -4.960 2.988 1.00 0.00 C ATOM 1481 CZ TYR A 891 18.717 -5.030 3.841 1.00 0.00 C ATOM 1482 OH TYR A 891 19.458 -3.900 4.103 1.00 0.00 O ATOM 0 H TYR A 891 17.418 -8.748 0.438 1.00 0.00 H new ATOM 0 HA TYR A 891 17.895 -10.110 3.023 1.00 0.00 H new ATOM 0 HB2 TYR A 891 15.551 -8.285 2.409 1.00 0.00 H new ATOM 0 HB3 TYR A 891 16.017 -8.950 3.962 1.00 0.00 H new ATOM 0 HD1 TYR A 891 18.591 -8.296 4.631 1.00 0.00 H new ATOM 0 HD2 TYR A 891 16.049 -6.038 2.061 1.00 0.00 H new ATOM 0 HE1 TYR A 891 19.908 -6.278 5.101 1.00 0.00 H new ATOM 0 HE2 TYR A 891 17.369 -4.021 2.525 1.00 0.00 H new ATOM 0 HH TYR A 891 20.412 -4.111 4.032 1.00 0.00 H new ATOM 1492 N ASN A 892 16.179 -11.844 2.546 1.00 0.00 N ATOM 1493 CA ASN A 892 15.309 -12.954 2.174 1.00 0.00 C ATOM 1494 C ASN A 892 14.113 -13.047 3.117 1.00 0.00 C ATOM 1495 O ASN A 892 14.186 -12.627 4.273 1.00 0.00 O ATOM 1496 CB ASN A 892 16.090 -14.269 2.192 1.00 0.00 C ATOM 1497 CG ASN A 892 17.324 -14.221 1.312 1.00 0.00 C ATOM 1498 OD1 ASN A 892 17.234 -14.341 0.090 1.00 0.00 O ATOM 1499 ND2 ASN A 892 18.486 -14.045 1.931 1.00 0.00 N ATOM 0 H ASN A 892 16.712 -11.995 3.402 1.00 0.00 H new ATOM 0 HA ASN A 892 14.940 -12.772 1.165 1.00 0.00 H new ATOM 0 HB2 ASN A 892 16.386 -14.499 3.216 1.00 0.00 H new ATOM 0 HB3 ASN A 892 15.441 -15.079 1.859 1.00 0.00 H new ATOM 0 HD21 ASN A 892 19.350 -14.005 1.391 1.00 0.00 H new ATOM 0 HD22 ASN A 892 18.514 -13.950 2.946 1.00 0.00 H new ATOM 1506 N TYR A 893 13.014 -13.599 2.616 1.00 0.00 N ATOM 1507 CA TYR A 893 11.801 -13.746 3.413 1.00 0.00 C ATOM 1508 C TYR A 893 11.863 -15.005 4.272 1.00 0.00 C ATOM 1509 O TYR A 893 12.232 -16.078 3.794 1.00 0.00 O ATOM 1510 CB TYR A 893 10.572 -13.794 2.504 1.00 0.00 C ATOM 1511 CG TYR A 893 9.261 -13.758 3.257 1.00 0.00 C ATOM 1512 CD1 TYR A 893 8.942 -12.688 4.084 1.00 0.00 C ATOM 1513 CD2 TYR A 893 8.342 -14.794 3.141 1.00 0.00 C ATOM 1514 CE1 TYR A 893 7.746 -12.651 4.774 1.00 0.00 C ATOM 1515 CE2 TYR A 893 7.143 -14.764 3.826 1.00 0.00 C ATOM 1516 CZ TYR A 893 6.849 -13.691 4.641 1.00 0.00 C ATOM 1517 OH TYR A 893 5.656 -13.658 5.327 1.00 0.00 O ATOM 0 H TYR A 893 12.937 -13.952 1.662 1.00 0.00 H new ATOM 0 HA TYR A 893 11.723 -12.882 4.073 1.00 0.00 H new ATOM 0 HB2 TYR A 893 10.608 -12.952 1.813 1.00 0.00 H new ATOM 0 HB3 TYR A 893 10.611 -14.702 1.902 1.00 0.00 H new ATOM 0 HD1 TYR A 893 9.641 -11.871 4.189 1.00 0.00 H new ATOM 0 HD2 TYR A 893 8.569 -15.637 2.505 1.00 0.00 H new ATOM 0 HE1 TYR A 893 7.514 -11.813 5.414 1.00 0.00 H new ATOM 0 HE2 TYR A 893 6.439 -15.577 3.724 1.00 0.00 H new ATOM 0 HH TYR A 893 5.139 -14.465 5.123 1.00 0.00 H new ATOM 1527 N ILE A 894 11.498 -14.865 5.542 1.00 0.00 N ATOM 1528 CA ILE A 894 11.510 -15.990 6.468 1.00 0.00 C ATOM 1529 C ILE A 894 10.166 -16.134 7.175 1.00 0.00 C ATOM 1530 O ILE A 894 9.675 -17.244 7.376 1.00 0.00 O ATOM 1531 CB ILE A 894 12.620 -15.839 7.525 1.00 0.00 C ATOM 1532 CG1 ILE A 894 12.607 -14.425 8.110 1.00 0.00 C ATOM 1533 CG2 ILE A 894 13.978 -16.153 6.915 1.00 0.00 C ATOM 1534 CD1 ILE A 894 13.754 -14.153 9.058 1.00 0.00 C ATOM 0 H ILE A 894 11.190 -13.984 5.953 1.00 0.00 H new ATOM 0 HA ILE A 894 11.704 -16.884 5.875 1.00 0.00 H new ATOM 0 HB ILE A 894 12.433 -16.548 8.332 1.00 0.00 H new ATOM 0 HG12 ILE A 894 12.641 -13.703 7.294 1.00 0.00 H new ATOM 0 HG13 ILE A 894 11.666 -14.267 8.636 1.00 0.00 H new ATOM 0 HG21 ILE A 894 14.752 -16.042 7.674 1.00 0.00 H new ATOM 0 HG22 ILE A 894 13.981 -17.177 6.541 1.00 0.00 H new ATOM 0 HG23 ILE A 894 14.175 -15.466 6.092 1.00 0.00 H new ATOM 0 HD11 ILE A 894 13.681 -13.133 9.434 1.00 0.00 H new ATOM 0 HD12 ILE A 894 13.709 -14.852 9.893 1.00 0.00 H new ATOM 0 HD13 ILE A 894 14.700 -14.279 8.531 1.00 0.00 H new ATOM 1546 N ALA A 895 9.577 -15.003 7.550 1.00 0.00 N ATOM 1547 CA ALA A 895 8.288 -15.003 8.231 1.00 0.00 C ATOM 1548 C ALA A 895 7.394 -16.125 7.715 1.00 0.00 C ATOM 1549 O ALA A 895 7.466 -16.501 6.545 1.00 0.00 O ATOM 1550 CB ALA A 895 7.601 -13.656 8.060 1.00 0.00 C ATOM 0 H ALA A 895 9.972 -14.076 7.394 1.00 0.00 H new ATOM 0 HA ALA A 895 8.466 -15.176 9.292 1.00 0.00 H new ATOM 0 HB1 ALA A 895 6.640 -13.670 8.573 1.00 0.00 H new ATOM 0 HB2 ALA A 895 8.228 -12.872 8.484 1.00 0.00 H new ATOM 0 HB3 ALA A 895 7.443 -13.460 6.999 1.00 0.00 H new