USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 594 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 840 MET CE :methyl -132:sc= -3.57! (180deg=-8.94!) USER MOD Set 1.2: A 881 MET CE :methyl -179:sc= -4.29 (180deg=-4.31) USER MOD Set 2.1: A 847 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 849 ASN : amide:sc= -0.162 X(o=-0.16,f=-0.47) USER MOD Set 3.1: A 845 THR OG1 : rot -103:sc= 0.989 USER MOD Set 3.2: A 892 ASN : amide:sc= 0.962 K(o=2,f=-4.7!) 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= -0.0389 X(o=-0.039,f=-0.52) 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 848 HIS : no HE2:sc= -1.2 X(o=-1.2,f=-1.4) USER MOD Single : A 853 SER OG : rot 180:sc= 0 USER MOD Single : A 856 TYR OH : rot 180:sc= -1.35 USER MOD Single : A 857 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 858 GLN : amide:sc= 0 K(o=0,f=-1.4) 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 87:sc= 0.931 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= -0.411 K(o=-0.41,f=-1.4) USER MOD Single : A 889 ASN :FLIP amide:sc= 0 F(o=-0.7,f=0) USER MOD Single : A 890 GLN :FLIP amide:sc= -1.56 F(o=-3.8,f=-1.6) USER MOD Single : A 891 TYR OH : rot 180:sc= 0 USER MOD Single : A 893 TYR OH : rot 180:sc= -0.068 USER MOD ----------------------------------------------------------------- ATOM 386 N ARG A 828 2.606 6.613 11.464 1.00 0.00 N ATOM 387 CA ARG A 828 3.772 6.681 10.591 1.00 0.00 C ATOM 388 C ARG A 828 4.572 5.383 10.650 1.00 0.00 C ATOM 389 O ARG A 828 4.610 4.622 9.683 1.00 0.00 O ATOM 390 CB ARG A 828 4.664 7.860 10.987 1.00 0.00 C ATOM 391 CG ARG A 828 5.730 8.190 9.955 1.00 0.00 C ATOM 392 CD ARG A 828 6.471 9.470 10.310 1.00 0.00 C ATOM 393 NE ARG A 828 7.170 10.035 9.159 1.00 0.00 N ATOM 394 CZ ARG A 828 7.566 11.301 9.089 1.00 0.00 C ATOM 395 NH1 ARG A 828 7.333 12.129 10.098 1.00 0.00 N ATOM 396 NH2 ARG A 828 8.197 11.740 8.008 1.00 0.00 N ATOM 0 HA ARG A 828 3.421 6.826 9.569 1.00 0.00 H new ATOM 0 HB2 ARG A 828 4.040 8.739 11.146 1.00 0.00 H new ATOM 0 HB3 ARG A 828 5.148 7.636 11.938 1.00 0.00 H new ATOM 0 HG2 ARG A 828 6.439 7.365 9.886 1.00 0.00 H new ATOM 0 HG3 ARG A 828 5.268 8.296 8.974 1.00 0.00 H new ATOM 0 HD2 ARG A 828 5.764 10.202 10.700 1.00 0.00 H new ATOM 0 HD3 ARG A 828 7.188 9.265 11.105 1.00 0.00 H new ATOM 0 HE ARG A 828 7.365 9.424 8.366 1.00 0.00 H new ATOM 0 HH11 ARG A 828 6.848 11.794 10.931 1.00 0.00 H new ATOM 0 HH12 ARG A 828 7.638 13.101 10.041 1.00 0.00 H new ATOM 0 HH21 ARG A 828 8.378 11.105 7.230 1.00 0.00 H new ATOM 0 HH22 ARG A 828 8.501 12.712 7.954 1.00 0.00 H new ATOM 410 N GLN A 829 5.209 5.137 11.790 1.00 0.00 N ATOM 411 CA GLN A 829 6.009 3.932 11.974 1.00 0.00 C ATOM 412 C GLN A 829 5.333 2.727 11.329 1.00 0.00 C ATOM 413 O GLN A 829 6.000 1.840 10.795 1.00 0.00 O ATOM 414 CB GLN A 829 6.235 3.667 13.464 1.00 0.00 C ATOM 415 CG GLN A 829 4.954 3.393 14.235 1.00 0.00 C ATOM 416 CD GLN A 829 5.200 2.628 15.521 1.00 0.00 C ATOM 417 OE1 GLN A 829 4.848 1.454 15.635 1.00 0.00 O ATOM 418 NE2 GLN A 829 5.807 3.292 16.498 1.00 0.00 N ATOM 0 H GLN A 829 5.187 5.756 12.600 1.00 0.00 H new ATOM 0 HA GLN A 829 6.973 4.088 11.489 1.00 0.00 H new ATOM 0 HB2 GLN A 829 6.905 2.815 13.575 1.00 0.00 H new ATOM 0 HB3 GLN A 829 6.738 4.528 13.905 1.00 0.00 H new ATOM 0 HG2 GLN A 829 4.465 4.339 14.467 1.00 0.00 H new ATOM 0 HG3 GLN A 829 4.269 2.826 13.605 1.00 0.00 H new ATOM 0 HE21 GLN A 829 6.081 4.265 16.360 1.00 0.00 H new ATOM 0 HE22 GLN A 829 5.999 2.829 17.387 1.00 0.00 H new ATOM 427 N TYR A 830 4.006 2.701 11.380 1.00 0.00 N ATOM 428 CA TYR A 830 3.240 1.603 10.803 1.00 0.00 C ATOM 429 C TYR A 830 3.267 1.662 9.279 1.00 0.00 C ATOM 430 O TYR A 830 3.419 0.639 8.611 1.00 0.00 O ATOM 431 CB TYR A 830 1.794 1.646 11.300 1.00 0.00 C ATOM 432 CG TYR A 830 1.611 1.061 12.682 1.00 0.00 C ATOM 433 CD1 TYR A 830 2.176 -0.162 13.021 1.00 0.00 C ATOM 434 CD2 TYR A 830 0.872 1.732 13.649 1.00 0.00 C ATOM 435 CE1 TYR A 830 2.011 -0.700 14.282 1.00 0.00 C ATOM 436 CE2 TYR A 830 0.703 1.202 14.914 1.00 0.00 C ATOM 437 CZ TYR A 830 1.274 -0.014 15.225 1.00 0.00 C ATOM 438 OH TYR A 830 1.107 -0.546 16.484 1.00 0.00 O ATOM 0 H TYR A 830 3.438 3.428 11.815 1.00 0.00 H new ATOM 0 HA TYR A 830 3.699 0.667 11.121 1.00 0.00 H new ATOM 0 HB2 TYR A 830 1.451 2.681 11.304 1.00 0.00 H new ATOM 0 HB3 TYR A 830 1.161 1.103 10.598 1.00 0.00 H new ATOM 0 HD1 TYR A 830 2.754 -0.701 12.286 1.00 0.00 H new ATOM 0 HD2 TYR A 830 0.422 2.684 13.408 1.00 0.00 H new ATOM 0 HE1 TYR A 830 2.456 -1.652 14.529 1.00 0.00 H new ATOM 0 HE2 TYR A 830 0.127 1.737 15.655 1.00 0.00 H new ATOM 0 HH TYR A 830 0.564 0.063 17.027 1.00 0.00 H new ATOM 448 N GLN A 831 3.120 2.866 8.737 1.00 0.00 N ATOM 449 CA GLN A 831 3.128 3.059 7.291 1.00 0.00 C ATOM 450 C GLN A 831 4.415 2.518 6.677 1.00 0.00 C ATOM 451 O GLN A 831 4.385 1.830 5.656 1.00 0.00 O ATOM 452 CB GLN A 831 2.972 4.543 6.953 1.00 0.00 C ATOM 453 CG GLN A 831 1.589 5.094 7.258 1.00 0.00 C ATOM 454 CD GLN A 831 1.272 6.346 6.464 1.00 0.00 C ATOM 455 OE1 GLN A 831 1.509 6.407 5.257 1.00 0.00 O ATOM 456 NE2 GLN A 831 0.732 7.355 7.139 1.00 0.00 N ATOM 0 H GLN A 831 2.994 3.722 9.276 1.00 0.00 H new ATOM 0 HA GLN A 831 2.287 2.507 6.871 1.00 0.00 H new ATOM 0 HB2 GLN A 831 3.713 5.114 7.512 1.00 0.00 H new ATOM 0 HB3 GLN A 831 3.188 4.691 5.895 1.00 0.00 H new ATOM 0 HG2 GLN A 831 0.842 4.331 7.040 1.00 0.00 H new ATOM 0 HG3 GLN A 831 1.517 5.316 8.323 1.00 0.00 H new ATOM 0 HE21 GLN A 831 0.552 7.262 8.139 1.00 0.00 H new ATOM 0 HE22 GLN A 831 0.497 8.223 6.657 1.00 0.00 H new ATOM 465 N ILE A 832 5.543 2.833 7.305 1.00 0.00 N ATOM 466 CA ILE A 832 6.839 2.377 6.820 1.00 0.00 C ATOM 467 C ILE A 832 7.006 0.875 7.025 1.00 0.00 C ATOM 468 O ILE A 832 7.177 0.123 6.066 1.00 0.00 O ATOM 469 CB ILE A 832 7.994 3.112 7.526 1.00 0.00 C ATOM 470 CG1 ILE A 832 8.001 4.591 7.137 1.00 0.00 C ATOM 471 CG2 ILE A 832 9.326 2.462 7.180 1.00 0.00 C ATOM 472 CD1 ILE A 832 6.913 5.398 7.811 1.00 0.00 C ATOM 0 H ILE A 832 5.585 3.402 8.150 1.00 0.00 H new ATOM 0 HA ILE A 832 6.874 2.601 5.754 1.00 0.00 H new ATOM 0 HB ILE A 832 7.845 3.040 8.603 1.00 0.00 H new ATOM 0 HG12 ILE A 832 8.970 5.020 7.390 1.00 0.00 H new ATOM 0 HG13 ILE A 832 7.888 4.675 6.056 1.00 0.00 H new ATOM 0 HG21 ILE A 832 10.132 2.993 7.686 1.00 0.00 H new ATOM 0 HG22 ILE A 832 9.318 1.421 7.503 1.00 0.00 H new ATOM 0 HG23 ILE A 832 9.483 2.506 6.102 1.00 0.00 H new ATOM 0 HD11 ILE A 832 6.978 6.437 7.489 1.00 0.00 H new ATOM 0 HD12 ILE A 832 5.938 4.994 7.538 1.00 0.00 H new ATOM 0 HD13 ILE A 832 7.038 5.345 8.893 1.00 0.00 H new ATOM 484 N ASP A 833 6.954 0.446 8.281 1.00 0.00 N ATOM 485 CA ASP A 833 7.096 -0.967 8.612 1.00 0.00 C ATOM 486 C ASP A 833 6.169 -1.822 7.754 1.00 0.00 C ATOM 487 O ASP A 833 6.591 -2.822 7.174 1.00 0.00 O ATOM 488 CB ASP A 833 6.797 -1.198 10.094 1.00 0.00 C ATOM 489 CG ASP A 833 7.988 -0.892 10.980 1.00 0.00 C ATOM 490 OD1 ASP A 833 9.097 -1.374 10.669 1.00 0.00 O ATOM 491 OD2 ASP A 833 7.812 -0.172 11.985 1.00 0.00 O ATOM 0 H ASP A 833 6.815 1.056 9.086 1.00 0.00 H new ATOM 0 HA ASP A 833 8.125 -1.261 8.407 1.00 0.00 H new ATOM 0 HB2 ASP A 833 5.955 -0.573 10.393 1.00 0.00 H new ATOM 0 HB3 ASP A 833 6.494 -2.234 10.243 1.00 0.00 H new ATOM 496 N ALA A 834 4.904 -1.422 7.679 1.00 0.00 N ATOM 497 CA ALA A 834 3.918 -2.151 6.891 1.00 0.00 C ATOM 498 C ALA A 834 4.354 -2.265 5.434 1.00 0.00 C ATOM 499 O ALA A 834 4.389 -3.358 4.870 1.00 0.00 O ATOM 500 CB ALA A 834 2.560 -1.472 6.986 1.00 0.00 C ATOM 0 H ALA A 834 4.538 -0.597 8.154 1.00 0.00 H new ATOM 0 HA ALA A 834 3.837 -3.159 7.298 1.00 0.00 H new ATOM 0 HB1 ALA A 834 1.833 -2.027 6.393 1.00 0.00 H new ATOM 0 HB2 ALA A 834 2.237 -1.449 8.027 1.00 0.00 H new ATOM 0 HB3 ALA A 834 2.635 -0.453 6.607 1.00 0.00 H new ATOM 506 N ALA A 835 4.684 -1.128 4.830 1.00 0.00 N ATOM 507 CA ALA A 835 5.119 -1.100 3.439 1.00 0.00 C ATOM 508 C ALA A 835 6.291 -2.048 3.212 1.00 0.00 C ATOM 509 O ALA A 835 6.323 -2.785 2.226 1.00 0.00 O ATOM 510 CB ALA A 835 5.496 0.317 3.032 1.00 0.00 C ATOM 0 H ALA A 835 4.658 -0.214 5.282 1.00 0.00 H new ATOM 0 HA ALA A 835 4.289 -1.435 2.817 1.00 0.00 H new ATOM 0 HB1 ALA A 835 5.819 0.323 1.991 1.00 0.00 H new ATOM 0 HB2 ALA A 835 4.632 0.971 3.147 1.00 0.00 H new ATOM 0 HB3 ALA A 835 6.308 0.674 3.666 1.00 0.00 H new ATOM 516 N ILE A 836 7.253 -2.023 4.128 1.00 0.00 N ATOM 517 CA ILE A 836 8.427 -2.881 4.027 1.00 0.00 C ATOM 518 C ILE A 836 8.038 -4.354 4.083 1.00 0.00 C ATOM 519 O ILE A 836 8.360 -5.127 3.181 1.00 0.00 O ATOM 520 CB ILE A 836 9.439 -2.585 5.149 1.00 0.00 C ATOM 521 CG1 ILE A 836 9.940 -1.143 5.048 1.00 0.00 C ATOM 522 CG2 ILE A 836 10.604 -3.562 5.083 1.00 0.00 C ATOM 523 CD1 ILE A 836 10.617 -0.649 6.307 1.00 0.00 C ATOM 0 H ILE A 836 7.243 -1.418 4.949 1.00 0.00 H new ATOM 0 HA ILE A 836 8.892 -2.667 3.065 1.00 0.00 H new ATOM 0 HB ILE A 836 8.940 -2.709 6.110 1.00 0.00 H new ATOM 0 HG12 ILE A 836 10.639 -1.067 4.215 1.00 0.00 H new ATOM 0 HG13 ILE A 836 9.098 -0.490 4.817 1.00 0.00 H new ATOM 0 HG21 ILE A 836 11.311 -3.340 5.882 1.00 0.00 H new ATOM 0 HG22 ILE A 836 10.232 -4.580 5.200 1.00 0.00 H new ATOM 0 HG23 ILE A 836 11.105 -3.467 4.119 1.00 0.00 H new ATOM 0 HD11 ILE A 836 10.946 0.380 6.163 1.00 0.00 H new ATOM 0 HD12 ILE A 836 9.914 -0.692 7.139 1.00 0.00 H new ATOM 0 HD13 ILE A 836 11.479 -1.279 6.528 1.00 0.00 H new ATOM 535 N VAL A 837 7.341 -4.736 5.148 1.00 0.00 N ATOM 536 CA VAL A 837 6.905 -6.117 5.322 1.00 0.00 C ATOM 537 C VAL A 837 6.100 -6.594 4.118 1.00 0.00 C ATOM 538 O VAL A 837 6.358 -7.667 3.572 1.00 0.00 O ATOM 539 CB VAL A 837 6.051 -6.280 6.593 1.00 0.00 C ATOM 540 CG1 VAL A 837 5.409 -7.658 6.632 1.00 0.00 C ATOM 541 CG2 VAL A 837 6.896 -6.041 7.836 1.00 0.00 C ATOM 0 H VAL A 837 7.066 -4.109 5.904 1.00 0.00 H new ATOM 0 HA VAL A 837 7.805 -6.724 5.418 1.00 0.00 H new ATOM 0 HB VAL A 837 5.255 -5.535 6.573 1.00 0.00 H new ATOM 0 HG11 VAL A 837 4.810 -7.755 7.537 1.00 0.00 H new ATOM 0 HG12 VAL A 837 4.770 -7.787 5.758 1.00 0.00 H new ATOM 0 HG13 VAL A 837 6.187 -8.422 6.629 1.00 0.00 H new ATOM 0 HG21 VAL A 837 6.277 -6.160 8.725 1.00 0.00 H new ATOM 0 HG22 VAL A 837 7.714 -6.761 7.864 1.00 0.00 H new ATOM 0 HG23 VAL A 837 7.303 -5.030 7.810 1.00 0.00 H new ATOM 551 N ARG A 838 5.125 -5.789 3.709 1.00 0.00 N ATOM 552 CA ARG A 838 4.281 -6.130 2.570 1.00 0.00 C ATOM 553 C ARG A 838 5.123 -6.356 1.318 1.00 0.00 C ATOM 554 O ARG A 838 4.933 -7.336 0.598 1.00 0.00 O ATOM 555 CB ARG A 838 3.258 -5.021 2.316 1.00 0.00 C ATOM 556 CG ARG A 838 2.180 -4.931 3.383 1.00 0.00 C ATOM 557 CD ARG A 838 1.048 -4.009 2.955 1.00 0.00 C ATOM 558 NE ARG A 838 0.292 -4.556 1.832 1.00 0.00 N ATOM 559 CZ ARG A 838 -0.948 -4.187 1.532 1.00 0.00 C ATOM 560 NH1 ARG A 838 -1.569 -3.275 2.268 1.00 0.00 N ATOM 561 NH2 ARG A 838 -1.571 -4.730 0.493 1.00 0.00 N ATOM 0 H ARG A 838 4.900 -4.897 4.149 1.00 0.00 H new ATOM 0 HA ARG A 838 3.754 -7.055 2.804 1.00 0.00 H new ATOM 0 HB2 ARG A 838 3.778 -4.065 2.256 1.00 0.00 H new ATOM 0 HB3 ARG A 838 2.786 -5.189 1.348 1.00 0.00 H new ATOM 0 HG2 ARG A 838 1.783 -5.926 3.586 1.00 0.00 H new ATOM 0 HG3 ARG A 838 2.616 -4.566 4.313 1.00 0.00 H new ATOM 0 HD2 ARG A 838 0.377 -3.844 3.798 1.00 0.00 H new ATOM 0 HD3 ARG A 838 1.457 -3.037 2.678 1.00 0.00 H new ATOM 0 HE ARG A 838 0.741 -5.260 1.246 1.00 0.00 H new ATOM 0 HH11 ARG A 838 -1.094 -2.855 3.067 1.00 0.00 H new ATOM 0 HH12 ARG A 838 -2.521 -2.994 2.035 1.00 0.00 H new ATOM 0 HH21 ARG A 838 -1.097 -5.432 -0.076 1.00 0.00 H new ATOM 0 HH22 ARG A 838 -2.523 -4.446 0.264 1.00 0.00 H new ATOM 575 N ILE A 839 6.054 -5.442 1.064 1.00 0.00 N ATOM 576 CA ILE A 839 6.926 -5.542 -0.100 1.00 0.00 C ATOM 577 C ILE A 839 7.805 -6.786 -0.023 1.00 0.00 C ATOM 578 O ILE A 839 7.789 -7.626 -0.922 1.00 0.00 O ATOM 579 CB ILE A 839 7.825 -4.299 -0.239 1.00 0.00 C ATOM 580 CG1 ILE A 839 6.971 -3.043 -0.425 1.00 0.00 C ATOM 581 CG2 ILE A 839 8.787 -4.469 -1.405 1.00 0.00 C ATOM 582 CD1 ILE A 839 7.612 -1.790 0.128 1.00 0.00 C ATOM 0 H ILE A 839 6.224 -4.624 1.649 1.00 0.00 H new ATOM 0 HA ILE A 839 6.279 -5.611 -0.974 1.00 0.00 H new ATOM 0 HB ILE A 839 8.408 -4.187 0.675 1.00 0.00 H new ATOM 0 HG12 ILE A 839 6.773 -2.902 -1.488 1.00 0.00 H new ATOM 0 HG13 ILE A 839 6.007 -3.193 0.061 1.00 0.00 H new ATOM 0 HG21 ILE A 839 9.415 -3.583 -1.490 1.00 0.00 H new ATOM 0 HG22 ILE A 839 9.415 -5.344 -1.234 1.00 0.00 H new ATOM 0 HG23 ILE A 839 8.221 -4.603 -2.327 1.00 0.00 H new ATOM 0 HD11 ILE A 839 6.951 -0.939 -0.039 1.00 0.00 H new ATOM 0 HD12 ILE A 839 7.785 -1.911 1.197 1.00 0.00 H new ATOM 0 HD13 ILE A 839 8.563 -1.615 -0.376 1.00 0.00 H new ATOM 594 N MET A 840 8.570 -6.897 1.058 1.00 0.00 N ATOM 595 CA MET A 840 9.454 -8.040 1.254 1.00 0.00 C ATOM 596 C MET A 840 8.680 -9.350 1.146 1.00 0.00 C ATOM 597 O MET A 840 9.135 -10.301 0.510 1.00 0.00 O ATOM 598 CB MET A 840 10.143 -7.952 2.617 1.00 0.00 C ATOM 599 CG MET A 840 10.860 -6.632 2.851 1.00 0.00 C ATOM 600 SD MET A 840 12.524 -6.613 2.155 1.00 0.00 S ATOM 601 CE MET A 840 13.504 -6.334 3.628 1.00 0.00 C ATOM 0 H MET A 840 8.596 -6.210 1.811 1.00 0.00 H new ATOM 0 HA MET A 840 10.212 -8.020 0.471 1.00 0.00 H new ATOM 0 HB2 MET A 840 9.399 -8.096 3.401 1.00 0.00 H new ATOM 0 HB3 MET A 840 10.861 -8.767 2.705 1.00 0.00 H new ATOM 0 HG2 MET A 840 10.277 -5.823 2.411 1.00 0.00 H new ATOM 0 HG3 MET A 840 10.916 -6.438 3.922 1.00 0.00 H new ATOM 0 HE1 MET A 840 14.223 -5.536 3.441 1.00 0.00 H new ATOM 0 HE2 MET A 840 12.850 -6.047 4.451 1.00 0.00 H new ATOM 0 HE3 MET A 840 14.036 -7.248 3.889 1.00 0.00 H new ATOM 611 N LYS A 841 7.509 -9.394 1.772 1.00 0.00 N ATOM 612 CA LYS A 841 6.671 -10.587 1.747 1.00 0.00 C ATOM 613 C LYS A 841 6.399 -11.030 0.313 1.00 0.00 C ATOM 614 O LYS A 841 6.623 -12.186 -0.043 1.00 0.00 O ATOM 615 CB LYS A 841 5.349 -10.322 2.469 1.00 0.00 C ATOM 616 CG LYS A 841 4.609 -11.587 2.869 1.00 0.00 C ATOM 617 CD LYS A 841 3.261 -11.271 3.494 1.00 0.00 C ATOM 618 CE LYS A 841 3.386 -11.012 4.987 1.00 0.00 C ATOM 619 NZ LYS A 841 2.066 -11.078 5.674 1.00 0.00 N ATOM 0 H LYS A 841 7.118 -8.616 2.304 1.00 0.00 H new ATOM 0 HA LYS A 841 7.205 -11.386 2.261 1.00 0.00 H new ATOM 0 HB2 LYS A 841 5.545 -9.728 3.362 1.00 0.00 H new ATOM 0 HB3 LYS A 841 4.706 -9.724 1.823 1.00 0.00 H new ATOM 0 HG2 LYS A 841 4.465 -12.218 1.992 1.00 0.00 H new ATOM 0 HG3 LYS A 841 5.214 -12.156 3.575 1.00 0.00 H new ATOM 0 HD2 LYS A 841 2.829 -10.397 3.007 1.00 0.00 H new ATOM 0 HD3 LYS A 841 2.576 -12.102 3.324 1.00 0.00 H new ATOM 0 HE2 LYS A 841 4.062 -11.745 5.427 1.00 0.00 H new ATOM 0 HE3 LYS A 841 3.831 -10.030 5.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 2.194 -10.896 6.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 1.429 -10.361 5.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 1.652 -12.023 5.541 1.00 0.00 H new ATOM 633 N MET A 842 5.916 -10.102 -0.507 1.00 0.00 N ATOM 634 CA MET A 842 5.617 -10.397 -1.903 1.00 0.00 C ATOM 635 C MET A 842 6.868 -10.863 -2.641 1.00 0.00 C ATOM 636 O MET A 842 6.847 -11.879 -3.336 1.00 0.00 O ATOM 637 CB MET A 842 5.034 -9.162 -2.594 1.00 0.00 C ATOM 638 CG MET A 842 3.622 -8.824 -2.144 1.00 0.00 C ATOM 639 SD MET A 842 2.474 -10.196 -2.368 1.00 0.00 S ATOM 640 CE MET A 842 0.905 -9.333 -2.342 1.00 0.00 C ATOM 0 H MET A 842 5.724 -9.140 -0.229 1.00 0.00 H new ATOM 0 HA MET A 842 4.881 -11.201 -1.928 1.00 0.00 H new ATOM 0 HB2 MET A 842 5.683 -8.308 -2.401 1.00 0.00 H new ATOM 0 HB3 MET A 842 5.034 -9.325 -3.672 1.00 0.00 H new ATOM 0 HG2 MET A 842 3.639 -8.538 -1.092 1.00 0.00 H new ATOM 0 HG3 MET A 842 3.263 -7.960 -2.704 1.00 0.00 H new ATOM 0 HE1 MET A 842 0.094 -10.049 -2.470 1.00 0.00 H new ATOM 0 HE2 MET A 842 0.788 -8.819 -1.388 1.00 0.00 H new ATOM 0 HE3 MET A 842 0.877 -8.605 -3.153 1.00 0.00 H new ATOM 650 N ARG A 843 7.954 -10.114 -2.486 1.00 0.00 N ATOM 651 CA ARG A 843 9.214 -10.451 -3.139 1.00 0.00 C ATOM 652 C ARG A 843 10.070 -11.340 -2.242 1.00 0.00 C ATOM 653 O ARG A 843 10.749 -10.858 -1.335 1.00 0.00 O ATOM 654 CB ARG A 843 9.983 -9.178 -3.497 1.00 0.00 C ATOM 655 CG ARG A 843 9.167 -8.178 -4.298 1.00 0.00 C ATOM 656 CD ARG A 843 9.113 -8.554 -5.770 1.00 0.00 C ATOM 657 NE ARG A 843 10.416 -8.422 -6.417 1.00 0.00 N ATOM 658 CZ ARG A 843 10.646 -8.755 -7.682 1.00 0.00 C ATOM 659 NH1 ARG A 843 9.665 -9.237 -8.433 1.00 0.00 N ATOM 660 NH2 ARG A 843 11.859 -8.605 -8.199 1.00 0.00 N ATOM 0 H ARG A 843 7.988 -9.270 -1.914 1.00 0.00 H new ATOM 0 HA ARG A 843 8.986 -10.999 -4.053 1.00 0.00 H new ATOM 0 HB2 ARG A 843 10.327 -8.701 -2.579 1.00 0.00 H new ATOM 0 HB3 ARG A 843 10.871 -9.449 -4.067 1.00 0.00 H new ATOM 0 HG2 ARG A 843 8.155 -8.129 -3.897 1.00 0.00 H new ATOM 0 HG3 ARG A 843 9.601 -7.184 -4.191 1.00 0.00 H new ATOM 0 HD2 ARG A 843 8.761 -9.581 -5.869 1.00 0.00 H new ATOM 0 HD3 ARG A 843 8.389 -7.919 -6.280 1.00 0.00 H new ATOM 0 HE ARG A 843 11.192 -8.054 -5.867 1.00 0.00 H new ATOM 0 HH11 ARG A 843 8.731 -9.353 -8.039 1.00 0.00 H new ATOM 0 HH12 ARG A 843 9.844 -9.492 -9.404 1.00 0.00 H new ATOM 0 HH21 ARG A 843 12.616 -8.234 -7.625 1.00 0.00 H new ATOM 0 HH22 ARG A 843 12.035 -8.861 -9.171 1.00 0.00 H new ATOM 674 N LYS A 844 10.033 -12.643 -2.502 1.00 0.00 N ATOM 675 CA LYS A 844 10.806 -13.601 -1.720 1.00 0.00 C ATOM 676 C LYS A 844 12.136 -12.998 -1.280 1.00 0.00 C ATOM 677 O LYS A 844 12.547 -13.148 -0.129 1.00 0.00 O ATOM 678 CB LYS A 844 11.055 -14.873 -2.535 1.00 0.00 C ATOM 679 CG LYS A 844 9.780 -15.570 -2.978 1.00 0.00 C ATOM 680 CD LYS A 844 9.224 -16.464 -1.882 1.00 0.00 C ATOM 681 CE LYS A 844 8.285 -17.520 -2.447 1.00 0.00 C ATOM 682 NZ LYS A 844 9.022 -18.734 -2.894 1.00 0.00 N ATOM 0 H LYS A 844 9.476 -13.060 -3.248 1.00 0.00 H new ATOM 0 HA LYS A 844 10.230 -13.854 -0.830 1.00 0.00 H new ATOM 0 HB2 LYS A 844 11.646 -14.621 -3.415 1.00 0.00 H new ATOM 0 HB3 LYS A 844 11.650 -15.566 -1.940 1.00 0.00 H new ATOM 0 HG2 LYS A 844 9.034 -14.825 -3.254 1.00 0.00 H new ATOM 0 HG3 LYS A 844 9.980 -16.166 -3.868 1.00 0.00 H new ATOM 0 HD2 LYS A 844 10.045 -16.950 -1.356 1.00 0.00 H new ATOM 0 HD3 LYS A 844 8.692 -15.856 -1.150 1.00 0.00 H new ATOM 0 HE2 LYS A 844 7.553 -17.798 -1.689 1.00 0.00 H new ATOM 0 HE3 LYS A 844 7.731 -17.101 -3.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 844 8.348 -19.430 -3.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 844 9.703 -18.473 -3.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 844 9.530 -19.148 -2.087 1.00 0.00 H new ATOM 696 N THR A 845 12.805 -12.315 -2.203 1.00 0.00 N ATOM 697 CA THR A 845 14.088 -11.689 -1.911 1.00 0.00 C ATOM 698 C THR A 845 14.201 -10.326 -2.583 1.00 0.00 C ATOM 699 O THR A 845 13.980 -10.196 -3.788 1.00 0.00 O ATOM 700 CB THR A 845 15.262 -12.574 -2.369 1.00 0.00 C ATOM 701 OG1 THR A 845 15.163 -13.870 -1.769 1.00 0.00 O ATOM 702 CG2 THR A 845 16.595 -11.939 -2.000 1.00 0.00 C ATOM 0 H THR A 845 12.479 -12.181 -3.160 1.00 0.00 H new ATOM 0 HA THR A 845 14.139 -11.562 -0.830 1.00 0.00 H new ATOM 0 HB THR A 845 15.212 -12.672 -3.453 1.00 0.00 H new ATOM 0 HG1 THR A 845 15.798 -13.936 -1.026 1.00 0.00 H new ATOM 0 HG21 THR A 845 17.409 -12.582 -2.334 1.00 0.00 H new ATOM 0 HG22 THR A 845 16.680 -10.966 -2.483 1.00 0.00 H new ATOM 0 HG23 THR A 845 16.651 -11.814 -0.919 1.00 0.00 H new ATOM 710 N LEU A 846 14.547 -9.311 -1.799 1.00 0.00 N ATOM 711 CA LEU A 846 14.690 -7.956 -2.319 1.00 0.00 C ATOM 712 C LEU A 846 15.862 -7.239 -1.656 1.00 0.00 C ATOM 713 O LEU A 846 16.224 -7.541 -0.519 1.00 0.00 O ATOM 714 CB LEU A 846 13.401 -7.164 -2.097 1.00 0.00 C ATOM 715 CG LEU A 846 13.142 -6.014 -3.071 1.00 0.00 C ATOM 716 CD1 LEU A 846 12.741 -6.551 -4.436 1.00 0.00 C ATOM 717 CD2 LEU A 846 12.069 -5.083 -2.526 1.00 0.00 C ATOM 0 H LEU A 846 14.734 -9.401 -0.800 1.00 0.00 H new ATOM 0 HA LEU A 846 14.887 -8.023 -3.389 1.00 0.00 H new ATOM 0 HB2 LEU A 846 12.560 -7.855 -2.151 1.00 0.00 H new ATOM 0 HB3 LEU A 846 13.417 -6.760 -1.085 1.00 0.00 H new ATOM 0 HG LEU A 846 14.065 -5.445 -3.184 1.00 0.00 H new ATOM 0 HD11 LEU A 846 12.561 -5.718 -5.116 1.00 0.00 H new ATOM 0 HD12 LEU A 846 13.542 -7.175 -4.831 1.00 0.00 H new ATOM 0 HD13 LEU A 846 11.832 -7.145 -4.341 1.00 0.00 H new ATOM 0 HD21 LEU A 846 11.899 -4.271 -3.233 1.00 0.00 H new ATOM 0 HD22 LEU A 846 11.143 -5.640 -2.383 1.00 0.00 H new ATOM 0 HD23 LEU A 846 12.396 -4.670 -1.571 1.00 0.00 H new ATOM 729 N SER A 847 16.449 -6.286 -2.373 1.00 0.00 N ATOM 730 CA SER A 847 17.581 -5.527 -1.855 1.00 0.00 C ATOM 731 C SER A 847 17.113 -4.221 -1.218 1.00 0.00 C ATOM 732 O SER A 847 15.921 -3.914 -1.210 1.00 0.00 O ATOM 733 CB SER A 847 18.580 -5.232 -2.975 1.00 0.00 C ATOM 734 OG SER A 847 18.121 -4.180 -3.805 1.00 0.00 O ATOM 0 H SER A 847 16.159 -6.021 -3.314 1.00 0.00 H new ATOM 0 HA SER A 847 18.071 -6.129 -1.090 1.00 0.00 H new ATOM 0 HB2 SER A 847 19.545 -4.965 -2.544 1.00 0.00 H new ATOM 0 HB3 SER A 847 18.736 -6.130 -3.573 1.00 0.00 H new ATOM 0 HG SER A 847 18.778 -4.010 -4.512 1.00 0.00 H new ATOM 740 N HIS A 848 18.061 -3.457 -0.686 1.00 0.00 N ATOM 741 CA HIS A 848 17.748 -2.183 -0.047 1.00 0.00 C ATOM 742 C HIS A 848 17.226 -1.177 -1.069 1.00 0.00 C ATOM 743 O HIS A 848 16.193 -0.543 -0.857 1.00 0.00 O ATOM 744 CB HIS A 848 18.986 -1.621 0.652 1.00 0.00 C ATOM 745 CG HIS A 848 18.719 -0.366 1.424 1.00 0.00 C ATOM 746 ND1 HIS A 848 18.759 -0.306 2.801 1.00 0.00 N ATOM 747 CD2 HIS A 848 18.409 0.883 1.003 1.00 0.00 C ATOM 748 CE1 HIS A 848 18.484 0.925 3.194 1.00 0.00 C ATOM 749 NE2 HIS A 848 18.268 1.666 2.122 1.00 0.00 N ATOM 0 H HIS A 848 19.052 -3.697 -0.684 1.00 0.00 H new ATOM 0 HA HIS A 848 16.969 -2.358 0.695 1.00 0.00 H new ATOM 0 HB2 HIS A 848 19.385 -2.376 1.329 1.00 0.00 H new ATOM 0 HB3 HIS A 848 19.756 -1.422 -0.094 1.00 0.00 H new ATOM 0 HD1 HIS A 848 18.968 -1.090 3.420 1.00 0.00 H new ATOM 0 HD2 HIS A 848 18.294 1.204 -0.022 1.00 0.00 H new ATOM 0 HE1 HIS A 848 18.443 1.267 4.218 1.00 0.00 H new ATOM 757 N ASN A 849 17.947 -1.037 -2.176 1.00 0.00 N ATOM 758 CA ASN A 849 17.557 -0.107 -3.230 1.00 0.00 C ATOM 759 C ASN A 849 16.118 -0.356 -3.670 1.00 0.00 C ATOM 760 O ASN A 849 15.275 0.540 -3.611 1.00 0.00 O ATOM 761 CB ASN A 849 18.499 -0.237 -4.428 1.00 0.00 C ATOM 762 CG ASN A 849 19.957 -0.295 -4.015 1.00 0.00 C ATOM 763 OD1 ASN A 849 20.525 -1.375 -3.855 1.00 0.00 O ATOM 764 ND2 ASN A 849 20.569 0.870 -3.839 1.00 0.00 N ATOM 0 H ASN A 849 18.804 -1.555 -2.367 1.00 0.00 H new ATOM 0 HA ASN A 849 17.626 0.905 -2.831 1.00 0.00 H new ATOM 0 HB2 ASN A 849 18.247 -1.137 -4.988 1.00 0.00 H new ATOM 0 HB3 ASN A 849 18.348 0.609 -5.099 1.00 0.00 H new ATOM 0 HD21 ASN A 849 21.550 0.894 -3.560 1.00 0.00 H new ATOM 0 HD22 ASN A 849 20.058 1.741 -3.983 1.00 0.00 H new ATOM 771 N LEU A 850 15.843 -1.579 -4.110 1.00 0.00 N ATOM 772 CA LEU A 850 14.505 -1.948 -4.560 1.00 0.00 C ATOM 773 C LEU A 850 13.501 -1.855 -3.415 1.00 0.00 C ATOM 774 O LEU A 850 12.346 -1.478 -3.617 1.00 0.00 O ATOM 775 CB LEU A 850 14.512 -3.365 -5.134 1.00 0.00 C ATOM 776 CG LEU A 850 14.837 -3.485 -6.623 1.00 0.00 C ATOM 777 CD1 LEU A 850 13.840 -2.691 -7.453 1.00 0.00 C ATOM 778 CD2 LEU A 850 16.258 -3.013 -6.898 1.00 0.00 C ATOM 0 H LEU A 850 16.529 -2.332 -4.165 1.00 0.00 H new ATOM 0 HA LEU A 850 14.204 -1.248 -5.340 1.00 0.00 H new ATOM 0 HB2 LEU A 850 15.236 -3.958 -4.576 1.00 0.00 H new ATOM 0 HB3 LEU A 850 13.533 -3.811 -4.959 1.00 0.00 H new ATOM 0 HG LEU A 850 14.762 -4.534 -6.908 1.00 0.00 H new ATOM 0 HD11 LEU A 850 14.087 -2.788 -8.510 1.00 0.00 H new ATOM 0 HD12 LEU A 850 12.835 -3.074 -7.279 1.00 0.00 H new ATOM 0 HD13 LEU A 850 13.882 -1.640 -7.166 1.00 0.00 H new ATOM 0 HD21 LEU A 850 16.472 -3.105 -7.963 1.00 0.00 H new ATOM 0 HD22 LEU A 850 16.360 -1.971 -6.596 1.00 0.00 H new ATOM 0 HD23 LEU A 850 16.961 -3.625 -6.332 1.00 0.00 H new ATOM 790 N LEU A 851 13.949 -2.199 -2.213 1.00 0.00 N ATOM 791 CA LEU A 851 13.091 -2.153 -1.034 1.00 0.00 C ATOM 792 C LEU A 851 12.584 -0.735 -0.785 1.00 0.00 C ATOM 793 O LEU A 851 11.402 -0.446 -0.971 1.00 0.00 O ATOM 794 CB LEU A 851 13.849 -2.659 0.194 1.00 0.00 C ATOM 795 CG LEU A 851 13.247 -2.295 1.551 1.00 0.00 C ATOM 796 CD1 LEU A 851 11.874 -2.928 1.714 1.00 0.00 C ATOM 797 CD2 LEU A 851 14.173 -2.728 2.679 1.00 0.00 C ATOM 0 H LEU A 851 14.902 -2.513 -2.029 1.00 0.00 H new ATOM 0 HA LEU A 851 12.233 -2.800 -1.214 1.00 0.00 H new ATOM 0 HB2 LEU A 851 13.920 -3.745 0.130 1.00 0.00 H new ATOM 0 HB3 LEU A 851 14.866 -2.270 0.154 1.00 0.00 H new ATOM 0 HG LEU A 851 13.133 -1.212 1.597 1.00 0.00 H new ATOM 0 HD11 LEU A 851 11.462 -2.657 2.686 1.00 0.00 H new ATOM 0 HD12 LEU A 851 11.212 -2.569 0.926 1.00 0.00 H new ATOM 0 HD13 LEU A 851 11.963 -4.012 1.647 1.00 0.00 H new ATOM 0 HD21 LEU A 851 13.728 -2.461 3.638 1.00 0.00 H new ATOM 0 HD22 LEU A 851 14.320 -3.807 2.635 1.00 0.00 H new ATOM 0 HD23 LEU A 851 15.135 -2.226 2.573 1.00 0.00 H new ATOM 809 N VAL A 852 13.487 0.145 -0.365 1.00 0.00 N ATOM 810 CA VAL A 852 13.133 1.533 -0.093 1.00 0.00 C ATOM 811 C VAL A 852 12.316 2.125 -1.236 1.00 0.00 C ATOM 812 O VAL A 852 11.379 2.892 -1.010 1.00 0.00 O ATOM 813 CB VAL A 852 14.387 2.399 0.128 1.00 0.00 C ATOM 814 CG1 VAL A 852 15.133 1.950 1.376 1.00 0.00 C ATOM 815 CG2 VAL A 852 15.294 2.346 -1.092 1.00 0.00 C ATOM 0 H VAL A 852 14.469 -0.079 -0.206 1.00 0.00 H new ATOM 0 HA VAL A 852 12.534 1.534 0.818 1.00 0.00 H new ATOM 0 HB VAL A 852 14.072 3.432 0.273 1.00 0.00 H new ATOM 0 HG11 VAL A 852 16.016 2.573 1.516 1.00 0.00 H new ATOM 0 HG12 VAL A 852 14.480 2.045 2.244 1.00 0.00 H new ATOM 0 HG13 VAL A 852 15.438 0.909 1.263 1.00 0.00 H new ATOM 0 HG21 VAL A 852 16.175 2.964 -0.918 1.00 0.00 H new ATOM 0 HG22 VAL A 852 15.603 1.316 -1.271 1.00 0.00 H new ATOM 0 HG23 VAL A 852 14.755 2.720 -1.963 1.00 0.00 H new ATOM 825 N SER A 853 12.676 1.764 -2.463 1.00 0.00 N ATOM 826 CA SER A 853 11.978 2.262 -3.643 1.00 0.00 C ATOM 827 C SER A 853 10.486 1.952 -3.562 1.00 0.00 C ATOM 828 O SER A 853 9.651 2.855 -3.598 1.00 0.00 O ATOM 829 CB SER A 853 12.571 1.646 -4.911 1.00 0.00 C ATOM 830 OG SER A 853 12.063 2.280 -6.072 1.00 0.00 O ATOM 0 H SER A 853 13.447 1.128 -2.666 1.00 0.00 H new ATOM 0 HA SER A 853 12.105 3.344 -3.681 1.00 0.00 H new ATOM 0 HB2 SER A 853 13.657 1.736 -4.889 1.00 0.00 H new ATOM 0 HB3 SER A 853 12.340 0.581 -4.944 1.00 0.00 H new ATOM 0 HG SER A 853 12.459 1.869 -6.869 1.00 0.00 H new ATOM 836 N GLU A 854 10.160 0.667 -3.454 1.00 0.00 N ATOM 837 CA GLU A 854 8.769 0.237 -3.369 1.00 0.00 C ATOM 838 C GLU A 854 8.050 0.943 -2.223 1.00 0.00 C ATOM 839 O GLU A 854 6.945 1.457 -2.392 1.00 0.00 O ATOM 840 CB GLU A 854 8.692 -1.279 -3.178 1.00 0.00 C ATOM 841 CG GLU A 854 8.856 -2.064 -4.468 1.00 0.00 C ATOM 842 CD GLU A 854 7.978 -1.539 -5.587 1.00 0.00 C ATOM 843 OE1 GLU A 854 6.745 -1.720 -5.508 1.00 0.00 O ATOM 844 OE2 GLU A 854 8.524 -0.947 -6.541 1.00 0.00 O ATOM 0 H GLU A 854 10.839 -0.093 -3.423 1.00 0.00 H new ATOM 0 HA GLU A 854 8.275 0.504 -4.303 1.00 0.00 H new ATOM 0 HB2 GLU A 854 9.465 -1.588 -2.474 1.00 0.00 H new ATOM 0 HB3 GLU A 854 7.732 -1.532 -2.728 1.00 0.00 H new ATOM 0 HG2 GLU A 854 9.899 -2.026 -4.782 1.00 0.00 H new ATOM 0 HG3 GLU A 854 8.616 -3.111 -4.284 1.00 0.00 H new ATOM 851 N VAL A 855 8.687 0.963 -1.056 1.00 0.00 N ATOM 852 CA VAL A 855 8.109 1.606 0.119 1.00 0.00 C ATOM 853 C VAL A 855 7.643 3.021 -0.203 1.00 0.00 C ATOM 854 O VAL A 855 6.471 3.355 -0.025 1.00 0.00 O ATOM 855 CB VAL A 855 9.118 1.661 1.281 1.00 0.00 C ATOM 856 CG1 VAL A 855 8.543 2.446 2.450 1.00 0.00 C ATOM 857 CG2 VAL A 855 9.511 0.256 1.713 1.00 0.00 C ATOM 0 H VAL A 855 9.603 0.542 -0.899 1.00 0.00 H new ATOM 0 HA VAL A 855 7.252 1.004 0.420 1.00 0.00 H new ATOM 0 HB VAL A 855 10.016 2.174 0.936 1.00 0.00 H new ATOM 0 HG11 VAL A 855 9.270 2.474 3.262 1.00 0.00 H new ATOM 0 HG12 VAL A 855 8.317 3.463 2.129 1.00 0.00 H new ATOM 0 HG13 VAL A 855 7.629 1.964 2.798 1.00 0.00 H new ATOM 0 HG21 VAL A 855 10.225 0.314 2.535 1.00 0.00 H new ATOM 0 HG22 VAL A 855 8.624 -0.286 2.041 1.00 0.00 H new ATOM 0 HG23 VAL A 855 9.967 -0.269 0.873 1.00 0.00 H new ATOM 867 N TYR A 856 8.567 3.849 -0.677 1.00 0.00 N ATOM 868 CA TYR A 856 8.251 5.230 -1.022 1.00 0.00 C ATOM 869 C TYR A 856 7.028 5.298 -1.931 1.00 0.00 C ATOM 870 O TYR A 856 6.129 6.113 -1.722 1.00 0.00 O ATOM 871 CB TYR A 856 9.447 5.893 -1.707 1.00 0.00 C ATOM 872 CG TYR A 856 10.679 5.970 -0.833 1.00 0.00 C ATOM 873 CD1 TYR A 856 10.620 6.529 0.437 1.00 0.00 C ATOM 874 CD2 TYR A 856 11.901 5.482 -1.278 1.00 0.00 C ATOM 875 CE1 TYR A 856 11.743 6.602 1.238 1.00 0.00 C ATOM 876 CE2 TYR A 856 13.029 5.549 -0.483 1.00 0.00 C ATOM 877 CZ TYR A 856 12.945 6.111 0.774 1.00 0.00 C ATOM 878 OH TYR A 856 14.066 6.180 1.569 1.00 0.00 O ATOM 0 H TYR A 856 9.541 3.588 -0.831 1.00 0.00 H new ATOM 0 HA TYR A 856 8.026 5.766 -0.100 1.00 0.00 H new ATOM 0 HB2 TYR A 856 9.689 5.339 -2.614 1.00 0.00 H new ATOM 0 HB3 TYR A 856 9.166 6.900 -2.015 1.00 0.00 H new ATOM 0 HD1 TYR A 856 9.680 6.913 0.805 1.00 0.00 H new ATOM 0 HD2 TYR A 856 11.971 5.043 -2.262 1.00 0.00 H new ATOM 0 HE1 TYR A 856 11.680 7.041 2.223 1.00 0.00 H new ATOM 0 HE2 TYR A 856 13.971 5.164 -0.844 1.00 0.00 H new ATOM 0 HH TYR A 856 14.829 5.789 1.094 1.00 0.00 H new ATOM 888 N ASN A 857 7.001 4.436 -2.942 1.00 0.00 N ATOM 889 CA ASN A 857 5.889 4.397 -3.885 1.00 0.00 C ATOM 890 C ASN A 857 4.568 4.162 -3.158 1.00 0.00 C ATOM 891 O ASN A 857 3.527 4.680 -3.561 1.00 0.00 O ATOM 892 CB ASN A 857 6.114 3.298 -4.926 1.00 0.00 C ATOM 893 CG ASN A 857 5.145 3.396 -6.088 1.00 0.00 C ATOM 894 OD1 ASN A 857 3.980 3.015 -5.974 1.00 0.00 O ATOM 895 ND2 ASN A 857 5.624 3.910 -7.216 1.00 0.00 N ATOM 0 H ASN A 857 7.737 3.755 -3.129 1.00 0.00 H new ATOM 0 HA ASN A 857 5.839 5.362 -4.390 1.00 0.00 H new ATOM 0 HB2 ASN A 857 7.135 3.361 -5.302 1.00 0.00 H new ATOM 0 HB3 ASN A 857 6.009 2.323 -4.450 1.00 0.00 H new ATOM 0 HD21 ASN A 857 5.019 4.001 -8.032 1.00 0.00 H new ATOM 0 HD22 ASN A 857 6.597 4.213 -7.266 1.00 0.00 H new ATOM 902 N GLN A 858 4.620 3.379 -2.086 1.00 0.00 N ATOM 903 CA GLN A 858 3.427 3.075 -1.304 1.00 0.00 C ATOM 904 C GLN A 858 3.087 4.226 -0.362 1.00 0.00 C ATOM 905 O GLN A 858 1.915 4.520 -0.122 1.00 0.00 O ATOM 906 CB GLN A 858 3.631 1.788 -0.502 1.00 0.00 C ATOM 907 CG GLN A 858 3.610 0.531 -1.356 1.00 0.00 C ATOM 908 CD GLN A 858 2.206 0.110 -1.742 1.00 0.00 C ATOM 909 OE1 GLN A 858 1.235 0.814 -1.461 1.00 0.00 O ATOM 910 NE2 GLN A 858 2.090 -1.043 -2.389 1.00 0.00 N ATOM 0 H GLN A 858 5.475 2.944 -1.739 1.00 0.00 H new ATOM 0 HA GLN A 858 2.596 2.936 -1.995 1.00 0.00 H new ATOM 0 HB2 GLN A 858 4.584 1.844 0.024 1.00 0.00 H new ATOM 0 HB3 GLN A 858 2.852 1.715 0.257 1.00 0.00 H new ATOM 0 HG2 GLN A 858 4.195 0.701 -2.260 1.00 0.00 H new ATOM 0 HG3 GLN A 858 4.092 -0.281 -0.812 1.00 0.00 H new ATOM 0 HE21 GLN A 858 2.921 -1.594 -2.601 1.00 0.00 H new ATOM 0 HE22 GLN A 858 1.170 -1.378 -2.674 1.00 0.00 H new ATOM 919 N LEU A 859 4.118 4.874 0.169 1.00 0.00 N ATOM 920 CA LEU A 859 3.928 5.993 1.085 1.00 0.00 C ATOM 921 C LEU A 859 3.839 7.312 0.323 1.00 0.00 C ATOM 922 O LEU A 859 4.719 7.643 -0.472 1.00 0.00 O ATOM 923 CB LEU A 859 5.076 6.051 2.095 1.00 0.00 C ATOM 924 CG LEU A 859 5.403 4.743 2.815 1.00 0.00 C ATOM 925 CD1 LEU A 859 6.405 4.985 3.933 1.00 0.00 C ATOM 926 CD2 LEU A 859 4.135 4.104 3.363 1.00 0.00 C ATOM 0 H LEU A 859 5.094 4.644 -0.019 1.00 0.00 H new ATOM 0 HA LEU A 859 2.990 5.839 1.618 1.00 0.00 H new ATOM 0 HB2 LEU A 859 5.973 6.391 1.577 1.00 0.00 H new ATOM 0 HB3 LEU A 859 4.836 6.805 2.845 1.00 0.00 H new ATOM 0 HG LEU A 859 5.850 4.057 2.096 1.00 0.00 H new ATOM 0 HD11 LEU A 859 6.626 4.043 4.434 1.00 0.00 H new ATOM 0 HD12 LEU A 859 7.323 5.398 3.515 1.00 0.00 H new ATOM 0 HD13 LEU A 859 5.985 5.689 4.652 1.00 0.00 H new ATOM 0 HD21 LEU A 859 4.387 3.174 3.872 1.00 0.00 H new ATOM 0 HD22 LEU A 859 3.659 4.786 4.068 1.00 0.00 H new ATOM 0 HD23 LEU A 859 3.449 3.894 2.542 1.00 0.00 H new ATOM 938 N LYS A 860 2.771 8.062 0.572 1.00 0.00 N ATOM 939 CA LYS A 860 2.567 9.346 -0.087 1.00 0.00 C ATOM 940 C LYS A 860 3.664 10.335 0.296 1.00 0.00 C ATOM 941 O LYS A 860 3.959 11.269 -0.450 1.00 0.00 O ATOM 942 CB LYS A 860 1.197 9.920 0.282 1.00 0.00 C ATOM 943 CG LYS A 860 0.828 11.167 -0.503 1.00 0.00 C ATOM 944 CD LYS A 860 -0.615 11.574 -0.258 1.00 0.00 C ATOM 945 CE LYS A 860 -0.872 13.007 -0.697 1.00 0.00 C ATOM 946 NZ LYS A 860 -2.328 13.302 -0.805 1.00 0.00 N ATOM 0 H LYS A 860 2.033 7.802 1.226 1.00 0.00 H new ATOM 0 HA LYS A 860 2.608 9.184 -1.164 1.00 0.00 H new ATOM 0 HB2 LYS A 860 0.436 9.158 0.115 1.00 0.00 H new ATOM 0 HB3 LYS A 860 1.185 10.154 1.346 1.00 0.00 H new ATOM 0 HG2 LYS A 860 1.491 11.985 -0.220 1.00 0.00 H new ATOM 0 HG3 LYS A 860 0.980 10.986 -1.567 1.00 0.00 H new ATOM 0 HD2 LYS A 860 -1.281 10.902 -0.799 1.00 0.00 H new ATOM 0 HD3 LYS A 860 -0.849 11.469 0.801 1.00 0.00 H new ATOM 0 HE2 LYS A 860 -0.415 13.693 0.016 1.00 0.00 H new ATOM 0 HE3 LYS A 860 -0.393 13.183 -1.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 860 -2.461 14.288 -1.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 860 -2.760 12.665 -1.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 860 -2.781 13.159 0.120 1.00 0.00 H new ATOM 960 N PHE A 861 4.265 10.122 1.462 1.00 0.00 N ATOM 961 CA PHE A 861 5.330 10.994 1.943 1.00 0.00 C ATOM 962 C PHE A 861 6.645 10.229 2.067 1.00 0.00 C ATOM 963 O PHE A 861 6.670 9.018 2.288 1.00 0.00 O ATOM 964 CB PHE A 861 4.950 11.599 3.296 1.00 0.00 C ATOM 965 CG PHE A 861 4.621 10.572 4.341 1.00 0.00 C ATOM 966 CD1 PHE A 861 5.594 9.702 4.807 1.00 0.00 C ATOM 967 CD2 PHE A 861 3.339 10.477 4.858 1.00 0.00 C ATOM 968 CE1 PHE A 861 5.295 8.756 5.769 1.00 0.00 C ATOM 969 CE2 PHE A 861 3.034 9.533 5.820 1.00 0.00 C ATOM 970 CZ PHE A 861 4.013 8.671 6.276 1.00 0.00 C ATOM 0 H PHE A 861 4.033 9.353 2.091 1.00 0.00 H new ATOM 0 HA PHE A 861 5.464 11.797 1.218 1.00 0.00 H new ATOM 0 HB2 PHE A 861 5.774 12.217 3.653 1.00 0.00 H new ATOM 0 HB3 PHE A 861 4.092 12.257 3.162 1.00 0.00 H new ATOM 0 HD1 PHE A 861 6.598 9.764 4.414 1.00 0.00 H new ATOM 0 HD2 PHE A 861 2.570 11.148 4.505 1.00 0.00 H new ATOM 0 HE1 PHE A 861 6.063 8.084 6.124 1.00 0.00 H new ATOM 0 HE2 PHE A 861 2.031 9.469 6.215 1.00 0.00 H new ATOM 0 HZ PHE A 861 3.776 7.932 7.027 1.00 0.00 H new ATOM 980 N PRO A 862 7.765 10.952 1.919 1.00 0.00 N ATOM 981 CA PRO A 862 9.105 10.363 2.010 1.00 0.00 C ATOM 982 C PRO A 862 9.453 9.932 3.431 1.00 0.00 C ATOM 983 O PRO A 862 8.745 10.263 4.382 1.00 0.00 O ATOM 984 CB PRO A 862 10.024 11.501 1.556 1.00 0.00 C ATOM 985 CG PRO A 862 9.260 12.745 1.853 1.00 0.00 C ATOM 986 CD PRO A 862 7.811 12.400 1.653 1.00 0.00 C ATOM 0 HA PRO A 862 9.195 9.458 1.408 1.00 0.00 H new ATOM 0 HB2 PRO A 862 10.973 11.482 2.092 1.00 0.00 H new ATOM 0 HB3 PRO A 862 10.256 11.423 0.494 1.00 0.00 H new ATOM 0 HG2 PRO A 862 9.444 13.081 2.873 1.00 0.00 H new ATOM 0 HG3 PRO A 862 9.563 13.556 1.191 1.00 0.00 H new ATOM 0 HD2 PRO A 862 7.168 12.955 2.336 1.00 0.00 H new ATOM 0 HD3 PRO A 862 7.478 12.634 0.642 1.00 0.00 H new ATOM 994 N VAL A 863 10.549 9.192 3.567 1.00 0.00 N ATOM 995 CA VAL A 863 10.992 8.716 4.873 1.00 0.00 C ATOM 996 C VAL A 863 12.453 9.076 5.121 1.00 0.00 C ATOM 997 O VAL A 863 13.286 8.995 4.219 1.00 0.00 O ATOM 998 CB VAL A 863 10.821 7.191 5.002 1.00 0.00 C ATOM 999 CG1 VAL A 863 11.345 6.707 6.345 1.00 0.00 C ATOM 1000 CG2 VAL A 863 9.362 6.801 4.818 1.00 0.00 C ATOM 0 H VAL A 863 11.146 8.909 2.790 1.00 0.00 H new ATOM 0 HA VAL A 863 10.367 9.208 5.619 1.00 0.00 H new ATOM 0 HB VAL A 863 11.404 6.710 4.217 1.00 0.00 H new ATOM 0 HG11 VAL A 863 11.216 5.627 6.418 1.00 0.00 H new ATOM 0 HG12 VAL A 863 12.403 6.953 6.433 1.00 0.00 H new ATOM 0 HG13 VAL A 863 10.792 7.194 7.148 1.00 0.00 H new ATOM 0 HG21 VAL A 863 9.260 5.720 4.912 1.00 0.00 H new ATOM 0 HG22 VAL A 863 8.756 7.291 5.580 1.00 0.00 H new ATOM 0 HG23 VAL A 863 9.024 7.113 3.830 1.00 0.00 H new ATOM 1010 N LYS A 864 12.757 9.473 6.352 1.00 0.00 N ATOM 1011 CA LYS A 864 14.118 9.843 6.723 1.00 0.00 C ATOM 1012 C LYS A 864 15.041 8.630 6.689 1.00 0.00 C ATOM 1013 O LYS A 864 14.598 7.482 6.732 1.00 0.00 O ATOM 1014 CB LYS A 864 14.135 10.472 8.118 1.00 0.00 C ATOM 1015 CG LYS A 864 13.952 11.979 8.109 1.00 0.00 C ATOM 1016 CD LYS A 864 14.446 12.609 9.400 1.00 0.00 C ATOM 1017 CE LYS A 864 13.490 12.341 10.552 1.00 0.00 C ATOM 1018 NZ LYS A 864 13.543 13.418 11.579 1.00 0.00 N ATOM 0 H LYS A 864 12.079 9.547 7.110 1.00 0.00 H new ATOM 0 HA LYS A 864 14.480 10.572 5.998 1.00 0.00 H new ATOM 0 HB2 LYS A 864 13.345 10.022 8.720 1.00 0.00 H new ATOM 0 HB3 LYS A 864 15.081 10.232 8.604 1.00 0.00 H new ATOM 0 HG2 LYS A 864 14.492 12.407 7.264 1.00 0.00 H new ATOM 0 HG3 LYS A 864 12.898 12.217 7.967 1.00 0.00 H new ATOM 0 HD2 LYS A 864 15.432 12.214 9.645 1.00 0.00 H new ATOM 0 HD3 LYS A 864 14.558 13.684 9.262 1.00 0.00 H new ATOM 0 HE2 LYS A 864 12.474 12.255 10.168 1.00 0.00 H new ATOM 0 HE3 LYS A 864 13.738 11.386 11.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 864 12.877 13.198 12.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 864 14.507 13.483 11.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 864 13.282 14.326 11.144 1.00 0.00 H new ATOM 1032 N PRO A 865 16.355 8.887 6.611 1.00 0.00 N ATOM 1033 CA PRO A 865 17.368 7.827 6.571 1.00 0.00 C ATOM 1034 C PRO A 865 17.490 7.093 7.902 1.00 0.00 C ATOM 1035 O PRO A 865 17.488 5.863 7.946 1.00 0.00 O ATOM 1036 CB PRO A 865 18.660 8.584 6.257 1.00 0.00 C ATOM 1037 CG PRO A 865 18.420 9.967 6.755 1.00 0.00 C ATOM 1038 CD PRO A 865 16.953 10.231 6.555 1.00 0.00 C ATOM 0 HA PRO A 865 17.123 7.055 5.842 1.00 0.00 H new ATOM 0 HB2 PRO A 865 19.517 8.128 6.753 1.00 0.00 H new ATOM 0 HB3 PRO A 865 18.871 8.580 5.188 1.00 0.00 H new ATOM 0 HG2 PRO A 865 18.693 10.056 7.807 1.00 0.00 H new ATOM 0 HG3 PRO A 865 19.025 10.689 6.207 1.00 0.00 H new ATOM 0 HD2 PRO A 865 16.552 10.882 7.332 1.00 0.00 H new ATOM 0 HD3 PRO A 865 16.759 10.718 5.599 1.00 0.00 H new ATOM 1046 N ALA A 866 17.597 7.855 8.985 1.00 0.00 N ATOM 1047 CA ALA A 866 17.718 7.276 10.318 1.00 0.00 C ATOM 1048 C ALA A 866 16.606 6.268 10.581 1.00 0.00 C ATOM 1049 O ALA A 866 16.868 5.097 10.855 1.00 0.00 O ATOM 1050 CB ALA A 866 17.701 8.372 11.373 1.00 0.00 C ATOM 0 H ALA A 866 17.602 8.875 8.966 1.00 0.00 H new ATOM 0 HA ALA A 866 18.670 6.749 10.373 1.00 0.00 H new ATOM 0 HB1 ALA A 866 17.792 7.925 12.363 1.00 0.00 H new ATOM 0 HB2 ALA A 866 18.535 9.053 11.204 1.00 0.00 H new ATOM 0 HB3 ALA A 866 16.763 8.924 11.309 1.00 0.00 H new ATOM 1056 N ASP A 867 15.363 6.730 10.498 1.00 0.00 N ATOM 1057 CA ASP A 867 14.209 5.868 10.728 1.00 0.00 C ATOM 1058 C ASP A 867 14.189 4.711 9.733 1.00 0.00 C ATOM 1059 O ASP A 867 14.258 3.544 10.121 1.00 0.00 O ATOM 1060 CB ASP A 867 12.914 6.674 10.619 1.00 0.00 C ATOM 1061 CG ASP A 867 12.855 7.813 11.617 1.00 0.00 C ATOM 1062 OD1 ASP A 867 12.589 7.546 12.808 1.00 0.00 O ATOM 1063 OD2 ASP A 867 13.075 8.972 11.208 1.00 0.00 O ATOM 0 H ASP A 867 15.129 7.697 10.273 1.00 0.00 H new ATOM 0 HA ASP A 867 14.288 5.457 11.734 1.00 0.00 H new ATOM 0 HB2 ASP A 867 12.823 7.074 9.609 1.00 0.00 H new ATOM 0 HB3 ASP A 867 12.063 6.012 10.777 1.00 0.00 H new ATOM 1068 N LEU A 868 14.093 5.043 8.450 1.00 0.00 N ATOM 1069 CA LEU A 868 14.063 4.032 7.399 1.00 0.00 C ATOM 1070 C LEU A 868 14.956 2.848 7.756 1.00 0.00 C ATOM 1071 O LEU A 868 14.492 1.711 7.845 1.00 0.00 O ATOM 1072 CB LEU A 868 14.509 4.638 6.068 1.00 0.00 C ATOM 1073 CG LEU A 868 14.423 3.719 4.849 1.00 0.00 C ATOM 1074 CD1 LEU A 868 12.971 3.474 4.466 1.00 0.00 C ATOM 1075 CD2 LEU A 868 15.192 4.312 3.678 1.00 0.00 C ATOM 0 H LEU A 868 14.035 6.004 8.113 1.00 0.00 H new ATOM 0 HA LEU A 868 13.038 3.674 7.303 1.00 0.00 H new ATOM 0 HB2 LEU A 868 13.903 5.523 5.874 1.00 0.00 H new ATOM 0 HB3 LEU A 868 15.541 4.974 6.172 1.00 0.00 H new ATOM 0 HG LEU A 868 14.876 2.762 5.108 1.00 0.00 H new ATOM 0 HD11 LEU A 868 12.930 2.818 3.597 1.00 0.00 H new ATOM 0 HD12 LEU A 868 12.449 3.005 5.300 1.00 0.00 H new ATOM 0 HD13 LEU A 868 12.493 4.424 4.227 1.00 0.00 H new ATOM 0 HD21 LEU A 868 15.120 3.644 2.820 1.00 0.00 H new ATOM 0 HD22 LEU A 868 14.769 5.283 3.419 1.00 0.00 H new ATOM 0 HD23 LEU A 868 16.239 4.435 3.955 1.00 0.00 H new ATOM 1087 N LYS A 869 16.240 3.123 7.962 1.00 0.00 N ATOM 1088 CA LYS A 869 17.199 2.082 8.313 1.00 0.00 C ATOM 1089 C LYS A 869 16.734 1.307 9.542 1.00 0.00 C ATOM 1090 O LYS A 869 16.720 0.075 9.543 1.00 0.00 O ATOM 1091 CB LYS A 869 18.576 2.696 8.575 1.00 0.00 C ATOM 1092 CG LYS A 869 19.441 2.803 7.331 1.00 0.00 C ATOM 1093 CD LYS A 869 19.153 4.080 6.559 1.00 0.00 C ATOM 1094 CE LYS A 869 19.664 3.994 5.129 1.00 0.00 C ATOM 1095 NZ LYS A 869 21.149 4.077 5.065 1.00 0.00 N ATOM 0 H LYS A 869 16.640 4.058 7.892 1.00 0.00 H new ATOM 0 HA LYS A 869 17.270 1.390 7.474 1.00 0.00 H new ATOM 0 HB2 LYS A 869 18.446 3.690 9.003 1.00 0.00 H new ATOM 0 HB3 LYS A 869 19.097 2.094 9.319 1.00 0.00 H new ATOM 0 HG2 LYS A 869 20.493 2.778 7.615 1.00 0.00 H new ATOM 0 HG3 LYS A 869 19.264 1.941 6.688 1.00 0.00 H new ATOM 0 HD2 LYS A 869 18.079 4.268 6.552 1.00 0.00 H new ATOM 0 HD3 LYS A 869 19.621 4.925 7.064 1.00 0.00 H new ATOM 0 HE2 LYS A 869 19.333 3.057 4.681 1.00 0.00 H new ATOM 0 HE3 LYS A 869 19.229 4.801 4.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 869 21.458 4.015 4.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 869 21.464 4.982 5.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 869 21.564 3.292 5.607 1.00 0.00 H new ATOM 1109 N LYS A 870 16.354 2.034 10.586 1.00 0.00 N ATOM 1110 CA LYS A 870 15.886 1.416 11.821 1.00 0.00 C ATOM 1111 C LYS A 870 14.723 0.467 11.548 1.00 0.00 C ATOM 1112 O LYS A 870 14.667 -0.635 12.094 1.00 0.00 O ATOM 1113 CB LYS A 870 15.457 2.490 12.823 1.00 0.00 C ATOM 1114 CG LYS A 870 16.622 3.181 13.511 1.00 0.00 C ATOM 1115 CD LYS A 870 16.143 4.211 14.519 1.00 0.00 C ATOM 1116 CE LYS A 870 15.798 3.567 15.853 1.00 0.00 C ATOM 1117 NZ LYS A 870 14.911 4.435 16.676 1.00 0.00 N ATOM 0 H LYS A 870 16.361 3.054 10.602 1.00 0.00 H new ATOM 0 HA LYS A 870 16.710 0.841 12.245 1.00 0.00 H new ATOM 0 HB2 LYS A 870 14.856 3.238 12.306 1.00 0.00 H new ATOM 0 HB3 LYS A 870 14.818 2.035 13.579 1.00 0.00 H new ATOM 0 HG2 LYS A 870 17.241 2.438 14.015 1.00 0.00 H new ATOM 0 HG3 LYS A 870 17.251 3.666 12.764 1.00 0.00 H new ATOM 0 HD2 LYS A 870 16.917 4.964 14.667 1.00 0.00 H new ATOM 0 HD3 LYS A 870 15.267 4.727 14.125 1.00 0.00 H new ATOM 0 HE2 LYS A 870 15.308 2.609 15.678 1.00 0.00 H new ATOM 0 HE3 LYS A 870 16.715 3.359 16.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 870 14.699 3.960 17.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 870 15.389 5.339 16.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 870 14.025 4.613 16.162 1.00 0.00 H new ATOM 1131 N ARG A 871 13.798 0.902 10.698 1.00 0.00 N ATOM 1132 CA ARG A 871 12.637 0.091 10.353 1.00 0.00 C ATOM 1133 C ARG A 871 13.064 -1.213 9.683 1.00 0.00 C ATOM 1134 O ARG A 871 12.654 -2.297 10.098 1.00 0.00 O ATOM 1135 CB ARG A 871 11.702 0.870 9.426 1.00 0.00 C ATOM 1136 CG ARG A 871 11.066 2.084 10.083 1.00 0.00 C ATOM 1137 CD ARG A 871 9.749 1.729 10.754 1.00 0.00 C ATOM 1138 NE ARG A 871 9.938 1.293 12.135 1.00 0.00 N ATOM 1139 CZ ARG A 871 10.101 2.129 13.153 1.00 0.00 C ATOM 1140 NH1 ARG A 871 10.099 3.439 12.947 1.00 0.00 N ATOM 1141 NH2 ARG A 871 10.268 1.656 14.382 1.00 0.00 N ATOM 0 H ARG A 871 13.830 1.811 10.236 1.00 0.00 H new ATOM 0 HA ARG A 871 12.107 -0.150 11.274 1.00 0.00 H new ATOM 0 HB2 ARG A 871 12.261 1.194 8.548 1.00 0.00 H new ATOM 0 HB3 ARG A 871 10.915 0.203 9.074 1.00 0.00 H new ATOM 0 HG2 ARG A 871 11.751 2.500 10.822 1.00 0.00 H new ATOM 0 HG3 ARG A 871 10.897 2.858 9.334 1.00 0.00 H new ATOM 0 HD2 ARG A 871 9.087 2.595 10.735 1.00 0.00 H new ATOM 0 HD3 ARG A 871 9.256 0.938 10.189 1.00 0.00 H new ATOM 0 HE ARG A 871 9.945 0.291 12.328 1.00 0.00 H new ATOM 0 HH11 ARG A 871 9.972 3.807 12.004 1.00 0.00 H new ATOM 0 HH12 ARG A 871 10.224 4.079 13.731 1.00 0.00 H new ATOM 0 HH21 ARG A 871 10.271 0.649 14.545 1.00 0.00 H new ATOM 0 HH22 ARG A 871 10.393 2.299 15.163 1.00 0.00 H new ATOM 1155 N ILE A 872 13.888 -1.097 8.648 1.00 0.00 N ATOM 1156 CA ILE A 872 14.370 -2.266 7.922 1.00 0.00 C ATOM 1157 C ILE A 872 15.086 -3.236 8.856 1.00 0.00 C ATOM 1158 O ILE A 872 14.689 -4.394 8.986 1.00 0.00 O ATOM 1159 CB ILE A 872 15.328 -1.866 6.784 1.00 0.00 C ATOM 1160 CG1 ILE A 872 14.652 -0.861 5.849 1.00 0.00 C ATOM 1161 CG2 ILE A 872 15.776 -3.098 6.012 1.00 0.00 C ATOM 1162 CD1 ILE A 872 15.584 -0.285 4.806 1.00 0.00 C ATOM 0 H ILE A 872 14.236 -0.206 8.293 1.00 0.00 H new ATOM 0 HA ILE A 872 13.495 -2.755 7.495 1.00 0.00 H new ATOM 0 HB ILE A 872 16.209 -1.393 7.219 1.00 0.00 H new ATOM 0 HG12 ILE A 872 13.816 -1.349 5.348 1.00 0.00 H new ATOM 0 HG13 ILE A 872 14.237 -0.047 6.443 1.00 0.00 H new ATOM 0 HG21 ILE A 872 16.452 -2.799 5.211 1.00 0.00 H new ATOM 0 HG22 ILE A 872 16.291 -3.782 6.686 1.00 0.00 H new ATOM 0 HG23 ILE A 872 14.906 -3.596 5.585 1.00 0.00 H new ATOM 0 HD11 ILE A 872 15.037 0.419 4.179 1.00 0.00 H new ATOM 0 HD12 ILE A 872 16.407 0.232 5.299 1.00 0.00 H new ATOM 0 HD13 ILE A 872 15.980 -1.090 4.187 1.00 0.00 H new ATOM 1174 N GLU A 873 16.141 -2.754 9.506 1.00 0.00 N ATOM 1175 CA GLU A 873 16.911 -3.580 10.429 1.00 0.00 C ATOM 1176 C GLU A 873 16.002 -4.219 11.475 1.00 0.00 C ATOM 1177 O GLU A 873 16.061 -5.426 11.709 1.00 0.00 O ATOM 1178 CB GLU A 873 17.989 -2.742 11.119 1.00 0.00 C ATOM 1179 CG GLU A 873 19.027 -2.178 10.162 1.00 0.00 C ATOM 1180 CD GLU A 873 20.357 -1.907 10.838 1.00 0.00 C ATOM 1181 OE1 GLU A 873 20.350 -1.373 11.967 1.00 0.00 O ATOM 1182 OE2 GLU A 873 21.404 -2.227 10.238 1.00 0.00 O ATOM 0 H GLU A 873 16.482 -1.797 9.411 1.00 0.00 H new ATOM 0 HA GLU A 873 17.389 -4.373 9.854 1.00 0.00 H new ATOM 0 HB2 GLU A 873 17.512 -1.919 11.651 1.00 0.00 H new ATOM 0 HB3 GLU A 873 18.492 -3.356 11.866 1.00 0.00 H new ATOM 0 HG2 GLU A 873 19.177 -2.879 9.341 1.00 0.00 H new ATOM 0 HG3 GLU A 873 18.650 -1.253 9.727 1.00 0.00 H new ATOM 1189 N SER A 874 15.162 -3.400 12.100 1.00 0.00 N ATOM 1190 CA SER A 874 14.244 -3.884 13.124 1.00 0.00 C ATOM 1191 C SER A 874 13.468 -5.100 12.628 1.00 0.00 C ATOM 1192 O SER A 874 13.509 -6.169 13.238 1.00 0.00 O ATOM 1193 CB SER A 874 13.271 -2.776 13.531 1.00 0.00 C ATOM 1194 OG SER A 874 13.896 -1.838 14.390 1.00 0.00 O ATOM 0 H SER A 874 15.098 -2.399 11.915 1.00 0.00 H new ATOM 0 HA SER A 874 14.832 -4.180 13.993 1.00 0.00 H new ATOM 0 HB2 SER A 874 12.901 -2.268 12.641 1.00 0.00 H new ATOM 0 HB3 SER A 874 12.407 -3.213 14.032 1.00 0.00 H new ATOM 0 HG SER A 874 14.345 -1.152 13.854 1.00 0.00 H new ATOM 1200 N LEU A 875 12.761 -4.930 11.516 1.00 0.00 N ATOM 1201 CA LEU A 875 11.975 -6.012 10.935 1.00 0.00 C ATOM 1202 C LEU A 875 12.828 -7.262 10.744 1.00 0.00 C ATOM 1203 O LEU A 875 12.417 -8.367 11.102 1.00 0.00 O ATOM 1204 CB LEU A 875 11.381 -5.576 9.594 1.00 0.00 C ATOM 1205 CG LEU A 875 10.161 -4.658 9.668 1.00 0.00 C ATOM 1206 CD1 LEU A 875 9.895 -4.015 8.316 1.00 0.00 C ATOM 1207 CD2 LEU A 875 8.939 -5.433 10.142 1.00 0.00 C ATOM 0 H LEU A 875 12.716 -4.052 10.999 1.00 0.00 H new ATOM 0 HA LEU A 875 11.164 -6.249 11.624 1.00 0.00 H new ATOM 0 HB2 LEU A 875 12.158 -5.069 9.023 1.00 0.00 H new ATOM 0 HB3 LEU A 875 11.105 -6.469 9.034 1.00 0.00 H new ATOM 0 HG LEU A 875 10.368 -3.867 10.389 1.00 0.00 H new ATOM 0 HD11 LEU A 875 9.023 -3.365 8.388 1.00 0.00 H new ATOM 0 HD12 LEU A 875 10.762 -3.427 8.016 1.00 0.00 H new ATOM 0 HD13 LEU A 875 9.709 -4.792 7.574 1.00 0.00 H new ATOM 0 HD21 LEU A 875 8.080 -4.764 10.189 1.00 0.00 H new ATOM 0 HD22 LEU A 875 8.730 -6.244 9.445 1.00 0.00 H new ATOM 0 HD23 LEU A 875 9.132 -5.846 11.132 1.00 0.00 H new ATOM 1219 N ILE A 876 14.017 -7.081 10.179 1.00 0.00 N ATOM 1220 CA ILE A 876 14.929 -8.193 9.944 1.00 0.00 C ATOM 1221 C ILE A 876 15.179 -8.980 11.226 1.00 0.00 C ATOM 1222 O ILE A 876 15.261 -10.208 11.206 1.00 0.00 O ATOM 1223 CB ILE A 876 16.278 -7.706 9.382 1.00 0.00 C ATOM 1224 CG1 ILE A 876 16.077 -7.043 8.018 1.00 0.00 C ATOM 1225 CG2 ILE A 876 17.256 -8.867 9.275 1.00 0.00 C ATOM 1226 CD1 ILE A 876 17.300 -6.305 7.519 1.00 0.00 C ATOM 0 H ILE A 876 14.371 -6.174 9.875 1.00 0.00 H new ATOM 0 HA ILE A 876 14.452 -8.842 9.210 1.00 0.00 H new ATOM 0 HB ILE A 876 16.695 -6.967 10.066 1.00 0.00 H new ATOM 0 HG12 ILE A 876 15.800 -7.805 7.290 1.00 0.00 H new ATOM 0 HG13 ILE A 876 15.242 -6.345 8.082 1.00 0.00 H new ATOM 0 HG21 ILE A 876 18.205 -8.508 8.876 1.00 0.00 H new ATOM 0 HG22 ILE A 876 17.417 -9.299 10.263 1.00 0.00 H new ATOM 0 HG23 ILE A 876 16.847 -9.627 8.609 1.00 0.00 H new ATOM 0 HD11 ILE A 876 17.085 -5.860 6.547 1.00 0.00 H new ATOM 0 HD12 ILE A 876 17.565 -5.520 8.227 1.00 0.00 H new ATOM 0 HD13 ILE A 876 18.132 -7.003 7.423 1.00 0.00 H new ATOM 1238 N ASP A 877 15.296 -8.264 12.339 1.00 0.00 N ATOM 1239 CA ASP A 877 15.533 -8.895 13.632 1.00 0.00 C ATOM 1240 C ASP A 877 14.223 -9.366 14.256 1.00 0.00 C ATOM 1241 O ASP A 877 14.222 -10.151 15.203 1.00 0.00 O ATOM 1242 CB ASP A 877 16.242 -7.922 14.576 1.00 0.00 C ATOM 1243 CG ASP A 877 17.075 -8.635 15.623 1.00 0.00 C ATOM 1244 OD1 ASP A 877 18.000 -9.380 15.239 1.00 0.00 O ATOM 1245 OD2 ASP A 877 16.802 -8.445 16.827 1.00 0.00 O ATOM 0 H ASP A 877 15.231 -7.247 12.372 1.00 0.00 H new ATOM 0 HA ASP A 877 16.171 -9.764 13.473 1.00 0.00 H new ATOM 0 HB2 ASP A 877 16.883 -7.259 13.995 1.00 0.00 H new ATOM 0 HB3 ASP A 877 15.500 -7.295 15.071 1.00 0.00 H new ATOM 1250 N ARG A 878 13.109 -8.879 13.718 1.00 0.00 N ATOM 1251 CA ARG A 878 11.793 -9.248 14.224 1.00 0.00 C ATOM 1252 C ARG A 878 11.316 -10.554 13.596 1.00 0.00 C ATOM 1253 O ARG A 878 10.114 -10.792 13.471 1.00 0.00 O ATOM 1254 CB ARG A 878 10.783 -8.134 13.939 1.00 0.00 C ATOM 1255 CG ARG A 878 10.834 -6.994 14.943 1.00 0.00 C ATOM 1256 CD ARG A 878 9.746 -5.967 14.675 1.00 0.00 C ATOM 1257 NE ARG A 878 9.904 -4.774 15.503 1.00 0.00 N ATOM 1258 CZ ARG A 878 9.473 -4.686 16.756 1.00 0.00 C ATOM 1259 NH1 ARG A 878 8.861 -5.716 17.324 1.00 0.00 N ATOM 1260 NH2 ARG A 878 9.654 -3.566 17.444 1.00 0.00 N ATOM 0 H ARG A 878 13.092 -8.229 12.932 1.00 0.00 H new ATOM 0 HA ARG A 878 11.872 -9.391 15.302 1.00 0.00 H new ATOM 0 HB2 ARG A 878 10.966 -7.736 12.941 1.00 0.00 H new ATOM 0 HB3 ARG A 878 9.779 -8.558 13.934 1.00 0.00 H new ATOM 0 HG2 ARG A 878 10.721 -7.391 15.952 1.00 0.00 H new ATOM 0 HG3 ARG A 878 11.810 -6.512 14.898 1.00 0.00 H new ATOM 0 HD2 ARG A 878 9.766 -5.683 13.623 1.00 0.00 H new ATOM 0 HD3 ARG A 878 8.770 -6.414 14.866 1.00 0.00 H new ATOM 0 HE ARG A 878 10.371 -3.964 15.096 1.00 0.00 H new ATOM 0 HH11 ARG A 878 8.720 -6.579 16.798 1.00 0.00 H new ATOM 0 HH12 ARG A 878 8.531 -5.646 18.287 1.00 0.00 H new ATOM 0 HH21 ARG A 878 10.125 -2.772 17.011 1.00 0.00 H new ATOM 0 HH22 ARG A 878 9.323 -3.499 18.406 1.00 0.00 H new ATOM 1274 N ASP A 879 12.264 -11.396 13.202 1.00 0.00 N ATOM 1275 CA ASP A 879 11.942 -12.679 12.588 1.00 0.00 C ATOM 1276 C ASP A 879 11.039 -12.487 11.373 1.00 0.00 C ATOM 1277 O ASP A 879 10.000 -13.136 11.250 1.00 0.00 O ATOM 1278 CB ASP A 879 11.262 -13.598 13.603 1.00 0.00 C ATOM 1279 CG ASP A 879 12.256 -14.286 14.518 1.00 0.00 C ATOM 1280 OD1 ASP A 879 12.912 -13.583 15.316 1.00 0.00 O ATOM 1281 OD2 ASP A 879 12.378 -15.525 14.438 1.00 0.00 O ATOM 0 H ASP A 879 13.263 -11.213 13.297 1.00 0.00 H new ATOM 0 HA ASP A 879 12.873 -13.141 12.259 1.00 0.00 H new ATOM 0 HB2 ASP A 879 10.562 -13.017 14.203 1.00 0.00 H new ATOM 0 HB3 ASP A 879 10.679 -14.351 13.073 1.00 0.00 H new ATOM 1286 N TYR A 880 11.443 -11.593 10.477 1.00 0.00 N ATOM 1287 CA TYR A 880 10.670 -11.313 9.273 1.00 0.00 C ATOM 1288 C TYR A 880 11.549 -11.398 8.029 1.00 0.00 C ATOM 1289 O TYR A 880 11.113 -11.870 6.979 1.00 0.00 O ATOM 1290 CB TYR A 880 10.028 -9.928 9.365 1.00 0.00 C ATOM 1291 CG TYR A 880 8.776 -9.895 10.212 1.00 0.00 C ATOM 1292 CD1 TYR A 880 7.574 -10.398 9.730 1.00 0.00 C ATOM 1293 CD2 TYR A 880 8.795 -9.362 11.495 1.00 0.00 C ATOM 1294 CE1 TYR A 880 6.428 -10.370 10.500 1.00 0.00 C ATOM 1295 CE2 TYR A 880 7.654 -9.331 12.273 1.00 0.00 C ATOM 1296 CZ TYR A 880 6.473 -9.835 11.771 1.00 0.00 C ATOM 1297 OH TYR A 880 5.333 -9.806 12.542 1.00 0.00 O ATOM 0 H TYR A 880 12.302 -11.050 10.562 1.00 0.00 H new ATOM 0 HA TYR A 880 9.885 -12.065 9.192 1.00 0.00 H new ATOM 0 HB2 TYR A 880 10.754 -9.227 9.777 1.00 0.00 H new ATOM 0 HB3 TYR A 880 9.786 -9.582 8.360 1.00 0.00 H new ATOM 0 HD1 TYR A 880 7.535 -10.818 8.736 1.00 0.00 H new ATOM 0 HD2 TYR A 880 9.718 -8.965 11.891 1.00 0.00 H new ATOM 0 HE1 TYR A 880 5.502 -10.765 10.109 1.00 0.00 H new ATOM 0 HE2 TYR A 880 7.687 -8.914 13.269 1.00 0.00 H new ATOM 0 HH TYR A 880 5.535 -9.399 13.410 1.00 0.00 H new ATOM 1307 N MET A 881 12.789 -10.937 8.156 1.00 0.00 N ATOM 1308 CA MET A 881 13.731 -10.962 7.043 1.00 0.00 C ATOM 1309 C MET A 881 15.117 -11.391 7.514 1.00 0.00 C ATOM 1310 O MET A 881 15.455 -11.248 8.688 1.00 0.00 O ATOM 1311 CB MET A 881 13.807 -9.585 6.381 1.00 0.00 C ATOM 1312 CG MET A 881 12.483 -9.114 5.803 1.00 0.00 C ATOM 1313 SD MET A 881 11.767 -10.301 4.649 1.00 0.00 S ATOM 1314 CE MET A 881 12.861 -10.108 3.244 1.00 0.00 C ATOM 0 H MET A 881 13.165 -10.542 9.018 1.00 0.00 H new ATOM 0 HA MET A 881 13.374 -11.688 6.313 1.00 0.00 H new ATOM 0 HB2 MET A 881 14.153 -8.857 7.115 1.00 0.00 H new ATOM 0 HB3 MET A 881 14.551 -9.614 5.585 1.00 0.00 H new ATOM 0 HG2 MET A 881 11.780 -8.934 6.616 1.00 0.00 H new ATOM 0 HG3 MET A 881 12.632 -8.162 5.293 1.00 0.00 H new ATOM 0 HE1 MET A 881 12.537 -10.766 2.437 1.00 0.00 H new ATOM 0 HE2 MET A 881 12.835 -9.073 2.902 1.00 0.00 H new ATOM 0 HE3 MET A 881 13.878 -10.367 3.537 1.00 0.00 H new ATOM 1324 N GLU A 882 15.914 -11.917 6.589 1.00 0.00 N ATOM 1325 CA GLU A 882 17.263 -12.367 6.912 1.00 0.00 C ATOM 1326 C GLU A 882 18.280 -11.781 5.936 1.00 0.00 C ATOM 1327 O GLU A 882 18.006 -11.647 4.743 1.00 0.00 O ATOM 1328 CB GLU A 882 17.335 -13.895 6.884 1.00 0.00 C ATOM 1329 CG GLU A 882 17.131 -14.489 5.500 1.00 0.00 C ATOM 1330 CD GLU A 882 17.688 -15.894 5.380 1.00 0.00 C ATOM 1331 OE1 GLU A 882 17.566 -16.666 6.355 1.00 0.00 O ATOM 1332 OE2 GLU A 882 18.247 -16.222 4.313 1.00 0.00 O ATOM 0 H GLU A 882 15.649 -12.042 5.612 1.00 0.00 H new ATOM 0 HA GLU A 882 17.505 -12.017 7.916 1.00 0.00 H new ATOM 0 HB2 GLU A 882 18.305 -14.212 7.267 1.00 0.00 H new ATOM 0 HB3 GLU A 882 16.579 -14.298 7.558 1.00 0.00 H new ATOM 0 HG2 GLU A 882 16.066 -14.503 5.268 1.00 0.00 H new ATOM 0 HG3 GLU A 882 17.610 -13.848 4.760 1.00 0.00 H new ATOM 1339 N ARG A 883 19.454 -11.433 6.453 1.00 0.00 N ATOM 1340 CA ARG A 883 20.512 -10.860 5.629 1.00 0.00 C ATOM 1341 C ARG A 883 21.190 -11.937 4.788 1.00 0.00 C ATOM 1342 O ARG A 883 21.853 -12.828 5.320 1.00 0.00 O ATOM 1343 CB ARG A 883 21.547 -10.156 6.507 1.00 0.00 C ATOM 1344 CG ARG A 883 21.075 -8.818 7.052 1.00 0.00 C ATOM 1345 CD ARG A 883 21.884 -8.395 8.268 1.00 0.00 C ATOM 1346 NE ARG A 883 21.104 -7.567 9.184 1.00 0.00 N ATOM 1347 CZ ARG A 883 21.377 -7.444 10.478 1.00 0.00 C ATOM 1348 NH1 ARG A 883 22.405 -8.093 11.007 1.00 0.00 N ATOM 1349 NH2 ARG A 883 20.620 -6.671 11.246 1.00 0.00 N ATOM 0 H ARG A 883 19.697 -11.538 7.438 1.00 0.00 H new ATOM 0 HA ARG A 883 20.060 -10.130 4.957 1.00 0.00 H new ATOM 0 HB2 ARG A 883 21.806 -10.807 7.342 1.00 0.00 H new ATOM 0 HB3 ARG A 883 22.458 -10.002 5.928 1.00 0.00 H new ATOM 0 HG2 ARG A 883 21.159 -8.058 6.275 1.00 0.00 H new ATOM 0 HG3 ARG A 883 20.021 -8.885 7.320 1.00 0.00 H new ATOM 0 HD2 ARG A 883 22.239 -9.282 8.794 1.00 0.00 H new ATOM 0 HD3 ARG A 883 22.766 -7.843 7.943 1.00 0.00 H new ATOM 0 HE ARG A 883 20.305 -7.055 8.809 1.00 0.00 H new ATOM 0 HH11 ARG A 883 22.989 -8.689 10.420 1.00 0.00 H new ATOM 0 HH12 ARG A 883 22.612 -7.996 12.001 1.00 0.00 H new ATOM 0 HH21 ARG A 883 19.828 -6.171 10.843 1.00 0.00 H new ATOM 0 HH22 ARG A 883 20.830 -6.577 12.240 1.00 0.00 H new ATOM 1363 N ASP A 884 21.020 -11.849 3.473 1.00 0.00 N ATOM 1364 CA ASP A 884 21.616 -12.816 2.559 1.00 0.00 C ATOM 1365 C ASP A 884 23.085 -13.049 2.896 1.00 0.00 C ATOM 1366 O ASP A 884 23.899 -12.127 2.846 1.00 0.00 O ATOM 1367 CB ASP A 884 21.482 -12.333 1.114 1.00 0.00 C ATOM 1368 CG ASP A 884 21.970 -13.360 0.112 1.00 0.00 C ATOM 1369 OD1 ASP A 884 22.770 -14.237 0.502 1.00 0.00 O ATOM 1370 OD2 ASP A 884 21.551 -13.289 -1.062 1.00 0.00 O ATOM 0 H ASP A 884 20.474 -11.118 3.017 1.00 0.00 H new ATOM 0 HA ASP A 884 21.083 -13.760 2.670 1.00 0.00 H new ATOM 0 HB2 ASP A 884 20.438 -12.097 0.908 1.00 0.00 H new ATOM 0 HB3 ASP A 884 22.048 -11.410 0.989 1.00 0.00 H new ATOM 1375 N LYS A 885 23.418 -14.289 3.241 1.00 0.00 N ATOM 1376 CA LYS A 885 24.789 -14.645 3.588 1.00 0.00 C ATOM 1377 C LYS A 885 25.780 -13.972 2.644 1.00 0.00 C ATOM 1378 O LYS A 885 26.873 -13.581 3.055 1.00 0.00 O ATOM 1379 CB LYS A 885 24.971 -16.163 3.537 1.00 0.00 C ATOM 1380 CG LYS A 885 24.584 -16.866 4.827 1.00 0.00 C ATOM 1381 CD LYS A 885 23.106 -17.218 4.849 1.00 0.00 C ATOM 1382 CE LYS A 885 22.664 -17.683 6.228 1.00 0.00 C ATOM 1383 NZ LYS A 885 22.299 -16.538 7.109 1.00 0.00 N ATOM 0 H LYS A 885 22.757 -15.064 3.288 1.00 0.00 H new ATOM 0 HA LYS A 885 24.984 -14.295 4.602 1.00 0.00 H new ATOM 0 HB2 LYS A 885 24.372 -16.565 2.720 1.00 0.00 H new ATOM 0 HB3 LYS A 885 26.013 -16.388 3.309 1.00 0.00 H new ATOM 0 HG2 LYS A 885 25.177 -17.774 4.940 1.00 0.00 H new ATOM 0 HG3 LYS A 885 24.819 -16.225 5.676 1.00 0.00 H new ATOM 0 HD2 LYS A 885 22.519 -16.349 4.552 1.00 0.00 H new ATOM 0 HD3 LYS A 885 22.907 -18.002 4.118 1.00 0.00 H new ATOM 0 HE2 LYS A 885 21.809 -18.352 6.129 1.00 0.00 H new ATOM 0 HE3 LYS A 885 23.466 -18.257 6.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 885 22.003 -16.896 8.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 885 23.122 -15.913 7.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 885 21.517 -16.005 6.679 1.00 0.00 H new ATOM 1397 N GLU A 886 25.392 -13.839 1.380 1.00 0.00 N ATOM 1398 CA GLU A 886 26.248 -13.212 0.380 1.00 0.00 C ATOM 1399 C GLU A 886 26.528 -11.756 0.740 1.00 0.00 C ATOM 1400 O GLU A 886 27.669 -11.301 0.686 1.00 0.00 O ATOM 1401 CB GLU A 886 25.597 -13.291 -1.003 1.00 0.00 C ATOM 1402 CG GLU A 886 25.974 -14.541 -1.782 1.00 0.00 C ATOM 1403 CD GLU A 886 25.832 -14.358 -3.280 1.00 0.00 C ATOM 1404 OE1 GLU A 886 24.685 -14.226 -3.757 1.00 0.00 O ATOM 1405 OE2 GLU A 886 26.869 -14.348 -3.977 1.00 0.00 O ATOM 0 H GLU A 886 24.491 -14.157 1.024 1.00 0.00 H new ATOM 0 HA GLU A 886 27.195 -13.752 0.359 1.00 0.00 H new ATOM 0 HB2 GLU A 886 24.514 -13.258 -0.888 1.00 0.00 H new ATOM 0 HB3 GLU A 886 25.883 -12.412 -1.581 1.00 0.00 H new ATOM 0 HG2 GLU A 886 27.003 -14.814 -1.549 1.00 0.00 H new ATOM 0 HG3 GLU A 886 25.344 -15.370 -1.459 1.00 0.00 H new ATOM 1412 N ASN A 887 25.476 -11.030 1.105 1.00 0.00 N ATOM 1413 CA ASN A 887 25.607 -9.624 1.472 1.00 0.00 C ATOM 1414 C ASN A 887 24.420 -9.169 2.314 1.00 0.00 C ATOM 1415 O ASN A 887 23.280 -9.581 2.099 1.00 0.00 O ATOM 1416 CB ASN A 887 25.720 -8.756 0.217 1.00 0.00 C ATOM 1417 CG ASN A 887 27.157 -8.570 -0.230 1.00 0.00 C ATOM 1418 OD1 ASN A 887 28.043 -8.307 0.584 1.00 0.00 O ATOM 1419 ND2 ASN A 887 27.394 -8.705 -1.529 1.00 0.00 N ATOM 0 H ASN A 887 24.524 -11.392 1.155 1.00 0.00 H new ATOM 0 HA ASN A 887 26.514 -9.512 2.065 1.00 0.00 H new ATOM 0 HB2 ASN A 887 25.148 -9.213 -0.590 1.00 0.00 H new ATOM 0 HB3 ASN A 887 25.274 -7.781 0.412 1.00 0.00 H new ATOM 0 HD21 ASN A 887 28.341 -8.590 -1.889 1.00 0.00 H new ATOM 0 HD22 ASN A 887 26.629 -8.923 -2.167 1.00 0.00 H new ATOM 1426 N PRO A 888 24.691 -8.297 3.297 1.00 0.00 N ATOM 1427 CA PRO A 888 23.658 -7.765 4.191 1.00 0.00 C ATOM 1428 C PRO A 888 22.706 -6.813 3.475 1.00 0.00 C ATOM 1429 O PRO A 888 21.749 -6.316 4.067 1.00 0.00 O ATOM 1430 CB PRO A 888 24.462 -7.017 5.257 1.00 0.00 C ATOM 1431 CG PRO A 888 25.738 -6.651 4.581 1.00 0.00 C ATOM 1432 CD PRO A 888 26.027 -7.763 3.611 1.00 0.00 C ATOM 0 HA PRO A 888 23.022 -8.553 4.593 1.00 0.00 H new ATOM 0 HB2 PRO A 888 23.930 -6.132 5.605 1.00 0.00 H new ATOM 0 HB3 PRO A 888 24.642 -7.644 6.130 1.00 0.00 H new ATOM 0 HG2 PRO A 888 25.645 -5.696 4.064 1.00 0.00 H new ATOM 0 HG3 PRO A 888 26.546 -6.544 5.305 1.00 0.00 H new ATOM 0 HD2 PRO A 888 26.533 -7.396 2.718 1.00 0.00 H new ATOM 0 HD3 PRO A 888 26.671 -8.524 4.052 1.00 0.00 H new ATOM 1440 N ASN A 889 22.976 -6.563 2.198 1.00 0.00 N ATOM 1441 CA ASN A 889 22.143 -5.670 1.401 1.00 0.00 C ATOM 1442 C ASN A 889 20.868 -6.375 0.947 1.00 0.00 C ATOM 1443 O ASN A 889 19.794 -5.774 0.913 1.00 0.00 O ATOM 1444 CB ASN A 889 22.920 -5.164 0.184 1.00 0.00 C ATOM 1445 CG ASN A 889 24.102 -4.296 0.573 1.00 0.00 C ATOM 1446 OD1 ASN A 889 25.266 -4.916 0.724 1.00 0.00 O flip ATOM 1447 ND2 ASN A 889 23.969 -3.083 0.735 1.00 0.00 N flip ATOM 0 H ASN A 889 23.765 -6.966 1.693 1.00 0.00 H new ATOM 0 HA ASN A 889 21.865 -4.821 2.025 1.00 0.00 H new ATOM 0 HB2 ASN A 889 23.274 -6.015 -0.398 1.00 0.00 H new ATOM 0 HB3 ASN A 889 22.250 -4.594 -0.460 1.00 0.00 H new ATOM 0 HD21 ASN A 889 23.055 -2.649 0.608 1.00 0.00 H new ATOM 0 HD22 ASN A 889 24.773 -2.512 0.996 1.00 0.00 H new ATOM 1454 N GLN A 890 20.996 -7.651 0.601 1.00 0.00 N ATOM 1455 CA GLN A 890 19.854 -8.438 0.149 1.00 0.00 C ATOM 1456 C GLN A 890 19.168 -9.126 1.324 1.00 0.00 C ATOM 1457 O GLN A 890 19.826 -9.717 2.181 1.00 0.00 O ATOM 1458 CB GLN A 890 20.301 -9.480 -0.878 1.00 0.00 C ATOM 1459 CG GLN A 890 19.216 -10.483 -1.238 1.00 0.00 C ATOM 1460 CD GLN A 890 19.445 -11.130 -2.589 1.00 0.00 C ATOM 1461 OE1 GLN A 890 18.895 -10.526 -3.636 1.00 0.00 O flip ATOM 1462 NE2 GLN A 890 20.109 -12.163 -2.691 1.00 0.00 N flip ATOM 0 H GLN A 890 21.878 -8.162 0.625 1.00 0.00 H new ATOM 0 HA GLN A 890 19.140 -7.760 -0.319 1.00 0.00 H new ATOM 0 HB2 GLN A 890 20.627 -8.969 -1.784 1.00 0.00 H new ATOM 0 HB3 GLN A 890 21.165 -10.017 -0.486 1.00 0.00 H new ATOM 0 HG2 GLN A 890 19.173 -11.257 -0.471 1.00 0.00 H new ATOM 0 HG3 GLN A 890 18.248 -9.981 -1.239 1.00 0.00 H new ATOM 0 HE21 GLN A 890 20.513 -12.593 -1.859 1.00 0.00 H new ATOM 0 HE22 GLN A 890 20.254 -12.588 -3.607 1.00 0.00 H new ATOM 1471 N TYR A 891 17.843 -9.045 1.359 1.00 0.00 N ATOM 1472 CA TYR A 891 17.067 -9.657 2.431 1.00 0.00 C ATOM 1473 C TYR A 891 16.146 -10.744 1.885 1.00 0.00 C ATOM 1474 O TYR A 891 15.595 -10.615 0.792 1.00 0.00 O ATOM 1475 CB TYR A 891 16.244 -8.597 3.163 1.00 0.00 C ATOM 1476 CG TYR A 891 17.031 -7.353 3.511 1.00 0.00 C ATOM 1477 CD1 TYR A 891 18.055 -7.395 4.449 1.00 0.00 C ATOM 1478 CD2 TYR A 891 16.750 -6.137 2.901 1.00 0.00 C ATOM 1479 CE1 TYR A 891 18.776 -6.261 4.770 1.00 0.00 C ATOM 1480 CE2 TYR A 891 17.467 -4.998 3.215 1.00 0.00 C ATOM 1481 CZ TYR A 891 18.478 -5.065 4.150 1.00 0.00 C ATOM 1482 OH TYR A 891 19.195 -3.934 4.467 1.00 0.00 O ATOM 0 H TYR A 891 17.283 -8.561 0.657 1.00 0.00 H new ATOM 0 HA TYR A 891 17.764 -10.115 3.133 1.00 0.00 H new ATOM 0 HB2 TYR A 891 15.393 -8.317 2.542 1.00 0.00 H new ATOM 0 HB3 TYR A 891 15.841 -9.030 4.079 1.00 0.00 H new ATOM 0 HD1 TYR A 891 18.291 -8.330 4.935 1.00 0.00 H new ATOM 0 HD2 TYR A 891 15.958 -6.081 2.169 1.00 0.00 H new ATOM 0 HE1 TYR A 891 19.568 -6.310 5.502 1.00 0.00 H new ATOM 0 HE2 TYR A 891 17.237 -4.061 2.731 1.00 0.00 H new ATOM 0 HH TYR A 891 18.861 -3.177 3.942 1.00 0.00 H new ATOM 1492 N ASN A 892 15.985 -11.816 2.654 1.00 0.00 N ATOM 1493 CA ASN A 892 15.131 -12.926 2.249 1.00 0.00 C ATOM 1494 C ASN A 892 13.921 -13.046 3.170 1.00 0.00 C ATOM 1495 O ASN A 892 13.986 -12.691 4.348 1.00 0.00 O ATOM 1496 CB ASN A 892 15.923 -14.235 2.256 1.00 0.00 C ATOM 1497 CG ASN A 892 16.868 -14.345 1.076 1.00 0.00 C ATOM 1498 OD1 ASN A 892 16.512 -14.887 0.029 1.00 0.00 O ATOM 1499 ND2 ASN A 892 18.081 -13.830 1.239 1.00 0.00 N ATOM 0 H ASN A 892 16.435 -11.939 3.561 1.00 0.00 H new ATOM 0 HA ASN A 892 14.777 -12.729 1.237 1.00 0.00 H new ATOM 0 HB2 ASN A 892 16.493 -14.307 3.182 1.00 0.00 H new ATOM 0 HB3 ASN A 892 15.230 -15.076 2.242 1.00 0.00 H new ATOM 0 HD21 ASN A 892 18.760 -13.874 0.479 1.00 0.00 H new ATOM 0 HD22 ASN A 892 18.334 -13.390 2.124 1.00 0.00 H new ATOM 1506 N TYR A 893 12.818 -13.550 2.627 1.00 0.00 N ATOM 1507 CA TYR A 893 11.592 -13.715 3.399 1.00 0.00 C ATOM 1508 C TYR A 893 11.690 -14.924 4.325 1.00 0.00 C ATOM 1509 O TYR A 893 11.952 -16.041 3.879 1.00 0.00 O ATOM 1510 CB TYR A 893 10.393 -13.872 2.463 1.00 0.00 C ATOM 1511 CG TYR A 893 9.063 -13.897 3.182 1.00 0.00 C ATOM 1512 CD1 TYR A 893 8.606 -12.785 3.879 1.00 0.00 C ATOM 1513 CD2 TYR A 893 8.264 -15.034 3.167 1.00 0.00 C ATOM 1514 CE1 TYR A 893 7.392 -12.804 4.538 1.00 0.00 C ATOM 1515 CE2 TYR A 893 7.048 -15.061 3.822 1.00 0.00 C ATOM 1516 CZ TYR A 893 6.617 -13.944 4.506 1.00 0.00 C ATOM 1517 OH TYR A 893 5.407 -13.968 5.161 1.00 0.00 O ATOM 0 H TYR A 893 12.748 -13.851 1.655 1.00 0.00 H new ATOM 0 HA TYR A 893 11.454 -12.823 4.009 1.00 0.00 H new ATOM 0 HB2 TYR A 893 10.393 -13.052 1.745 1.00 0.00 H new ATOM 0 HB3 TYR A 893 10.506 -14.794 1.893 1.00 0.00 H new ATOM 0 HD1 TYR A 893 9.210 -11.890 3.906 1.00 0.00 H new ATOM 0 HD2 TYR A 893 8.599 -15.911 2.634 1.00 0.00 H new ATOM 0 HE1 TYR A 893 7.052 -11.931 5.075 1.00 0.00 H new ATOM 0 HE2 TYR A 893 6.438 -15.952 3.798 1.00 0.00 H new ATOM 0 HH TYR A 893 4.986 -14.845 5.039 1.00 0.00 H new ATOM 1527 N ILE A 894 11.478 -14.691 5.615 1.00 0.00 N ATOM 1528 CA ILE A 894 11.541 -15.760 6.604 1.00 0.00 C ATOM 1529 C ILE A 894 10.218 -15.896 7.352 1.00 0.00 C ATOM 1530 O ILE A 894 9.763 -17.004 7.631 1.00 0.00 O ATOM 1531 CB ILE A 894 12.671 -15.519 7.623 1.00 0.00 C ATOM 1532 CG1 ILE A 894 12.560 -14.113 8.217 1.00 0.00 C ATOM 1533 CG2 ILE A 894 14.028 -15.717 6.965 1.00 0.00 C ATOM 1534 CD1 ILE A 894 13.584 -13.830 9.294 1.00 0.00 C ATOM 0 H ILE A 894 11.261 -13.772 6.000 1.00 0.00 H new ATOM 0 HA ILE A 894 11.745 -16.682 6.059 1.00 0.00 H new ATOM 0 HB ILE A 894 12.572 -16.243 8.432 1.00 0.00 H new ATOM 0 HG12 ILE A 894 12.672 -13.380 7.418 1.00 0.00 H new ATOM 0 HG13 ILE A 894 11.561 -13.981 8.633 1.00 0.00 H new ATOM 0 HG21 ILE A 894 14.816 -15.543 7.697 1.00 0.00 H new ATOM 0 HG22 ILE A 894 14.103 -16.736 6.586 1.00 0.00 H new ATOM 0 HG23 ILE A 894 14.138 -15.014 6.140 1.00 0.00 H new ATOM 0 HD11 ILE A 894 13.446 -12.816 9.670 1.00 0.00 H new ATOM 0 HD12 ILE A 894 13.458 -14.540 10.111 1.00 0.00 H new ATOM 0 HD13 ILE A 894 14.587 -13.930 8.878 1.00 0.00 H new ATOM 1546 N ALA A 895 9.606 -14.760 7.670 1.00 0.00 N ATOM 1547 CA ALA A 895 8.334 -14.752 8.381 1.00 0.00 C ATOM 1548 C ALA A 895 7.414 -15.858 7.874 1.00 0.00 C ATOM 1549 O ALA A 895 7.512 -16.280 6.722 1.00 0.00 O ATOM 1550 CB ALA A 895 7.659 -13.395 8.240 1.00 0.00 C ATOM 0 H ALA A 895 9.971 -13.834 7.446 1.00 0.00 H new ATOM 0 HA ALA A 895 8.535 -14.938 9.436 1.00 0.00 H new ATOM 0 HB1 ALA A 895 6.710 -13.403 8.776 1.00 0.00 H new ATOM 0 HB2 ALA A 895 8.305 -12.622 8.657 1.00 0.00 H new ATOM 0 HB3 ALA A 895 7.478 -13.186 7.186 1.00 0.00 H new