USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=16 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 -149:sc= -1.94 (180deg=-3.12!) USER MOD Set 1.2: A 881 MET CE :methyl 179:sc= -6.14! (180deg=-6.04!) USER MOD Set 2.1: A 845 THR OG1 : rot -111:sc= 0.961 USER MOD Set 2.2: A 892 ASN : amide:sc= 0.702 K(o=1.7,f=0.43) USER MOD Single : A 829 GLN : amide:sc= 0.285 K(o=0.28,f=-0.45) USER MOD Single : A 830 TYR OH : rot 180:sc= 0 USER MOD Single : A 831 GLN :FLIP amide:sc= -0.671 F(o=-1.4,f=-0.67) USER MOD Single : A 841 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 842 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 844 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 847 SER OG : rot 180:sc= -0.0824 USER MOD Single : A 848 HIS : no HD1:sc= -1.23 K(o=-1.2,f=-2.6!) USER MOD Single : A 849 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 853 SER OG : rot 180:sc= 0 USER MOD Single : A 856 TYR OH : rot -18:sc= 0.00499 USER MOD Single : A 857 ASN : amide:sc= -1.88 K(o=-1.9,f=-2.9!) USER MOD Single : A 858 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.6) USER MOD Single : A 860 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 864 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0331) USER MOD Single : A 869 LYS NZ :NH3+ -152:sc= -1.02 (180deg=-2.32!) USER MOD Single : A 870 LYS NZ :NH3+ 173:sc= -0.118 (180deg=-0.131) USER MOD Single : A 874 SER OG : rot 80:sc= 0.0662 USER MOD Single : A 880 TYR OH : rot 180:sc= 0 USER MOD Single : A 885 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 887 ASN :FLIP amide:sc= -2.22! C(o=-2.8!,f=-2.2!) USER MOD Single : A 889 ASN : amide:sc= -0.0019 K(o=-0.0019,f=-1.2) USER MOD Single : A 890 GLN : amide:sc= -1.59 K(o=-1.6,f=-2.6!) USER MOD Single : A 891 TYR OH : rot 43:sc= 0.00106 USER MOD Single : A 893 TYR OH : rot 180:sc= -0.63 USER MOD ----------------------------------------------------------------- ATOM 386 N ARG A 828 2.593 6.435 12.093 1.00 0.00 N ATOM 387 CA ARG A 828 3.739 6.502 11.194 1.00 0.00 C ATOM 388 C ARG A 828 4.531 5.199 11.223 1.00 0.00 C ATOM 389 O ARG A 828 4.562 4.459 10.240 1.00 0.00 O ATOM 390 CB ARG A 828 4.647 7.672 11.578 1.00 0.00 C ATOM 391 CG ARG A 828 4.033 9.035 11.304 1.00 0.00 C ATOM 392 CD ARG A 828 5.097 10.119 11.224 1.00 0.00 C ATOM 393 NE ARG A 828 4.530 11.455 11.386 1.00 0.00 N ATOM 394 CZ ARG A 828 5.260 12.565 11.411 1.00 0.00 C ATOM 395 NH1 ARG A 828 6.578 12.499 11.284 1.00 0.00 N ATOM 396 NH2 ARG A 828 4.671 13.744 11.562 1.00 0.00 N ATOM 0 HA ARG A 828 3.366 6.657 10.182 1.00 0.00 H new ATOM 0 HB2 ARG A 828 4.891 7.599 12.638 1.00 0.00 H new ATOM 0 HB3 ARG A 828 5.585 7.588 11.029 1.00 0.00 H new ATOM 0 HG2 ARG A 828 3.474 9.002 10.369 1.00 0.00 H new ATOM 0 HG3 ARG A 828 3.321 9.280 12.092 1.00 0.00 H new ATOM 0 HD2 ARG A 828 5.848 9.948 11.995 1.00 0.00 H new ATOM 0 HD3 ARG A 828 5.607 10.056 10.263 1.00 0.00 H new ATOM 0 HE ARG A 828 3.518 11.541 11.485 1.00 0.00 H new ATOM 0 HH11 ARG A 828 7.034 11.594 11.167 1.00 0.00 H new ATOM 0 HH12 ARG A 828 7.136 13.353 11.304 1.00 0.00 H new ATOM 0 HH21 ARG A 828 3.657 13.799 11.659 1.00 0.00 H new ATOM 0 HH22 ARG A 828 5.232 14.596 11.581 1.00 0.00 H new ATOM 410 N GLN A 829 5.170 4.925 12.356 1.00 0.00 N ATOM 411 CA GLN A 829 5.963 3.712 12.512 1.00 0.00 C ATOM 412 C GLN A 829 5.247 2.512 11.899 1.00 0.00 C ATOM 413 O GLN A 829 5.886 1.569 11.429 1.00 0.00 O ATOM 414 CB GLN A 829 6.248 3.450 13.991 1.00 0.00 C ATOM 415 CG GLN A 829 5.021 3.022 14.781 1.00 0.00 C ATOM 416 CD GLN A 829 5.370 2.168 15.984 1.00 0.00 C ATOM 417 OE1 GLN A 829 6.463 2.277 16.541 1.00 0.00 O ATOM 418 NE2 GLN A 829 4.441 1.312 16.393 1.00 0.00 N ATOM 0 H GLN A 829 5.154 5.527 13.179 1.00 0.00 H new ATOM 0 HA GLN A 829 6.908 3.856 11.988 1.00 0.00 H new ATOM 0 HB2 GLN A 829 7.011 2.676 14.074 1.00 0.00 H new ATOM 0 HB3 GLN A 829 6.661 4.354 14.439 1.00 0.00 H new ATOM 0 HG2 GLN A 829 4.481 3.908 15.114 1.00 0.00 H new ATOM 0 HG3 GLN A 829 4.349 2.465 14.128 1.00 0.00 H new ATOM 0 HE21 GLN A 829 3.549 1.255 15.902 1.00 0.00 H new ATOM 0 HE22 GLN A 829 4.620 0.712 17.198 1.00 0.00 H new ATOM 427 N TYR A 830 3.920 2.553 11.909 1.00 0.00 N ATOM 428 CA TYR A 830 3.118 1.467 11.357 1.00 0.00 C ATOM 429 C TYR A 830 3.105 1.520 9.833 1.00 0.00 C ATOM 430 O TYR A 830 3.336 0.513 9.165 1.00 0.00 O ATOM 431 CB TYR A 830 1.687 1.540 11.893 1.00 0.00 C ATOM 432 CG TYR A 830 1.532 0.968 13.285 1.00 0.00 C ATOM 433 CD1 TYR A 830 1.692 -0.392 13.520 1.00 0.00 C ATOM 434 CD2 TYR A 830 1.224 1.788 14.363 1.00 0.00 C ATOM 435 CE1 TYR A 830 1.550 -0.918 14.789 1.00 0.00 C ATOM 436 CE2 TYR A 830 1.083 1.271 15.636 1.00 0.00 C ATOM 437 CZ TYR A 830 1.246 -0.083 15.844 1.00 0.00 C ATOM 438 OH TYR A 830 1.105 -0.603 17.110 1.00 0.00 O ATOM 0 H TYR A 830 3.376 3.326 12.293 1.00 0.00 H new ATOM 0 HA TYR A 830 3.568 0.523 11.666 1.00 0.00 H new ATOM 0 HB2 TYR A 830 1.363 2.581 11.899 1.00 0.00 H new ATOM 0 HB3 TYR A 830 1.025 1.004 11.213 1.00 0.00 H new ATOM 0 HD1 TYR A 830 1.931 -1.049 12.697 1.00 0.00 H new ATOM 0 HD2 TYR A 830 1.093 2.848 14.203 1.00 0.00 H new ATOM 0 HE1 TYR A 830 1.676 -1.978 14.955 1.00 0.00 H new ATOM 0 HE2 TYR A 830 0.846 1.923 16.464 1.00 0.00 H new ATOM 0 HH TYR A 830 0.892 0.118 17.738 1.00 0.00 H new ATOM 448 N GLN A 831 2.833 2.703 9.290 1.00 0.00 N ATOM 449 CA GLN A 831 2.790 2.888 7.844 1.00 0.00 C ATOM 450 C GLN A 831 4.101 2.449 7.200 1.00 0.00 C ATOM 451 O GLN A 831 4.106 1.874 6.111 1.00 0.00 O ATOM 452 CB GLN A 831 2.506 4.352 7.505 1.00 0.00 C ATOM 453 CG GLN A 831 1.052 4.750 7.696 1.00 0.00 C ATOM 454 CD GLN A 831 0.088 3.754 7.082 1.00 0.00 C ATOM 455 OE1 GLN A 831 -0.251 2.716 7.837 1.00 0.00 O flip ATOM 456 NE2 GLN A 831 -0.347 3.916 5.941 1.00 0.00 N flip ATOM 0 H GLN A 831 2.639 3.547 9.829 1.00 0.00 H new ATOM 0 HA GLN A 831 1.986 2.268 7.447 1.00 0.00 H new ATOM 0 HB2 GLN A 831 3.133 4.989 8.129 1.00 0.00 H new ATOM 0 HB3 GLN A 831 2.792 4.539 6.470 1.00 0.00 H new ATOM 0 HG2 GLN A 831 0.842 4.843 8.761 1.00 0.00 H new ATOM 0 HG3 GLN A 831 0.887 5.731 7.251 1.00 0.00 H new ATOM 0 HE21 GLN A 831 -0.059 4.729 5.396 1.00 0.00 H new ATOM 0 HE22 GLN A 831 -0.995 3.237 5.541 1.00 0.00 H new ATOM 465 N ILE A 832 5.209 2.722 7.880 1.00 0.00 N ATOM 466 CA ILE A 832 6.526 2.355 7.373 1.00 0.00 C ATOM 467 C ILE A 832 6.762 0.853 7.497 1.00 0.00 C ATOM 468 O ILE A 832 7.055 0.178 6.510 1.00 0.00 O ATOM 469 CB ILE A 832 7.645 3.103 8.121 1.00 0.00 C ATOM 470 CG1 ILE A 832 7.665 4.577 7.711 1.00 0.00 C ATOM 471 CG2 ILE A 832 8.993 2.453 7.844 1.00 0.00 C ATOM 472 CD1 ILE A 832 6.569 5.398 8.354 1.00 0.00 C ATOM 0 H ILE A 832 5.221 3.196 8.783 1.00 0.00 H new ATOM 0 HA ILE A 832 6.551 2.639 6.321 1.00 0.00 H new ATOM 0 HB ILE A 832 7.448 3.045 9.192 1.00 0.00 H new ATOM 0 HG12 ILE A 832 8.632 5.006 7.975 1.00 0.00 H new ATOM 0 HG13 ILE A 832 7.571 4.646 6.627 1.00 0.00 H new ATOM 0 HG21 ILE A 832 9.774 2.993 8.379 1.00 0.00 H new ATOM 0 HG22 ILE A 832 8.973 1.416 8.180 1.00 0.00 H new ATOM 0 HG23 ILE A 832 9.199 2.484 6.774 1.00 0.00 H new ATOM 0 HD11 ILE A 832 6.644 6.432 8.018 1.00 0.00 H new ATOM 0 HD12 ILE A 832 5.597 4.994 8.070 1.00 0.00 H new ATOM 0 HD13 ILE A 832 6.674 5.360 9.438 1.00 0.00 H new ATOM 484 N ASP A 833 6.633 0.338 8.714 1.00 0.00 N ATOM 485 CA ASP A 833 6.830 -1.085 8.967 1.00 0.00 C ATOM 486 C ASP A 833 5.898 -1.925 8.100 1.00 0.00 C ATOM 487 O ASP A 833 6.257 -3.019 7.664 1.00 0.00 O ATOM 488 CB ASP A 833 6.593 -1.399 10.445 1.00 0.00 C ATOM 489 CG ASP A 833 7.844 -1.221 11.283 1.00 0.00 C ATOM 490 OD1 ASP A 833 8.884 -1.813 10.928 1.00 0.00 O ATOM 491 OD2 ASP A 833 7.782 -0.489 12.293 1.00 0.00 O ATOM 0 H ASP A 833 6.393 0.884 9.541 1.00 0.00 H new ATOM 0 HA ASP A 833 7.859 -1.336 8.711 1.00 0.00 H new ATOM 0 HB2 ASP A 833 5.806 -0.750 10.830 1.00 0.00 H new ATOM 0 HB3 ASP A 833 6.237 -2.424 10.543 1.00 0.00 H new ATOM 496 N ALA A 834 4.699 -1.406 7.853 1.00 0.00 N ATOM 497 CA ALA A 834 3.716 -2.108 7.037 1.00 0.00 C ATOM 498 C ALA A 834 4.161 -2.177 5.581 1.00 0.00 C ATOM 499 O ALA A 834 4.224 -3.256 4.992 1.00 0.00 O ATOM 500 CB ALA A 834 2.359 -1.429 7.145 1.00 0.00 C ATOM 0 H ALA A 834 4.386 -0.502 8.206 1.00 0.00 H new ATOM 0 HA ALA A 834 3.630 -3.128 7.412 1.00 0.00 H new ATOM 0 HB1 ALA A 834 1.635 -1.964 6.531 1.00 0.00 H new ATOM 0 HB2 ALA A 834 2.030 -1.437 8.184 1.00 0.00 H new ATOM 0 HB3 ALA A 834 2.439 -0.399 6.798 1.00 0.00 H new ATOM 506 N ALA A 835 4.467 -1.020 5.004 1.00 0.00 N ATOM 507 CA ALA A 835 4.907 -0.950 3.617 1.00 0.00 C ATOM 508 C ALA A 835 6.068 -1.904 3.360 1.00 0.00 C ATOM 509 O ALA A 835 6.133 -2.551 2.314 1.00 0.00 O ATOM 510 CB ALA A 835 5.303 0.475 3.260 1.00 0.00 C ATOM 0 H ALA A 835 4.418 -0.117 5.477 1.00 0.00 H new ATOM 0 HA ALA A 835 4.075 -1.254 2.982 1.00 0.00 H new ATOM 0 HB1 ALA A 835 5.630 0.512 2.221 1.00 0.00 H new ATOM 0 HB2 ALA A 835 4.446 1.135 3.395 1.00 0.00 H new ATOM 0 HB3 ALA A 835 6.117 0.800 3.908 1.00 0.00 H new ATOM 516 N ILE A 836 6.984 -1.985 4.320 1.00 0.00 N ATOM 517 CA ILE A 836 8.142 -2.861 4.197 1.00 0.00 C ATOM 518 C ILE A 836 7.729 -4.328 4.233 1.00 0.00 C ATOM 519 O ILE A 836 8.023 -5.090 3.311 1.00 0.00 O ATOM 520 CB ILE A 836 9.166 -2.600 5.317 1.00 0.00 C ATOM 521 CG1 ILE A 836 9.574 -1.126 5.333 1.00 0.00 C ATOM 522 CG2 ILE A 836 10.387 -3.491 5.137 1.00 0.00 C ATOM 523 CD1 ILE A 836 10.252 -0.699 6.616 1.00 0.00 C ATOM 0 H ILE A 836 6.946 -1.455 5.191 1.00 0.00 H new ATOM 0 HA ILE A 836 8.604 -2.640 3.235 1.00 0.00 H new ATOM 0 HB ILE A 836 8.703 -2.839 6.274 1.00 0.00 H new ATOM 0 HG12 ILE A 836 10.245 -0.934 4.496 1.00 0.00 H new ATOM 0 HG13 ILE A 836 8.688 -0.511 5.178 1.00 0.00 H new ATOM 0 HG21 ILE A 836 11.102 -3.295 5.936 1.00 0.00 H new ATOM 0 HG22 ILE A 836 10.082 -4.537 5.171 1.00 0.00 H new ATOM 0 HG23 ILE A 836 10.853 -3.280 4.174 1.00 0.00 H new ATOM 0 HD11 ILE A 836 10.513 0.358 6.555 1.00 0.00 H new ATOM 0 HD12 ILE A 836 9.575 -0.858 7.456 1.00 0.00 H new ATOM 0 HD13 ILE A 836 11.157 -1.288 6.763 1.00 0.00 H new ATOM 535 N VAL A 837 7.043 -4.718 5.303 1.00 0.00 N ATOM 536 CA VAL A 837 6.586 -6.094 5.458 1.00 0.00 C ATOM 537 C VAL A 837 5.768 -6.541 4.252 1.00 0.00 C ATOM 538 O VAL A 837 5.777 -7.716 3.884 1.00 0.00 O ATOM 539 CB VAL A 837 5.736 -6.263 6.732 1.00 0.00 C ATOM 540 CG1 VAL A 837 4.928 -7.549 6.668 1.00 0.00 C ATOM 541 CG2 VAL A 837 6.621 -6.240 7.969 1.00 0.00 C ATOM 0 H VAL A 837 6.792 -4.101 6.075 1.00 0.00 H new ATOM 0 HA VAL A 837 7.477 -6.716 5.539 1.00 0.00 H new ATOM 0 HB VAL A 837 5.039 -5.428 6.797 1.00 0.00 H new ATOM 0 HG11 VAL A 837 4.334 -7.651 7.576 1.00 0.00 H new ATOM 0 HG12 VAL A 837 4.266 -7.520 5.803 1.00 0.00 H new ATOM 0 HG13 VAL A 837 5.604 -8.399 6.579 1.00 0.00 H new ATOM 0 HG21 VAL A 837 6.004 -6.361 8.860 1.00 0.00 H new ATOM 0 HG22 VAL A 837 7.343 -7.054 7.915 1.00 0.00 H new ATOM 0 HG23 VAL A 837 7.150 -5.288 8.020 1.00 0.00 H new ATOM 551 N ARG A 838 5.063 -5.596 3.639 1.00 0.00 N ATOM 552 CA ARG A 838 4.238 -5.892 2.474 1.00 0.00 C ATOM 553 C ARG A 838 5.106 -6.146 1.244 1.00 0.00 C ATOM 554 O ARG A 838 4.979 -7.178 0.585 1.00 0.00 O ATOM 555 CB ARG A 838 3.272 -4.738 2.199 1.00 0.00 C ATOM 556 CG ARG A 838 1.953 -4.859 2.945 1.00 0.00 C ATOM 557 CD ARG A 838 1.040 -5.889 2.299 1.00 0.00 C ATOM 558 NE ARG A 838 -0.356 -5.703 2.686 1.00 0.00 N ATOM 559 CZ ARG A 838 -1.265 -6.670 2.643 1.00 0.00 C ATOM 560 NH1 ARG A 838 -0.928 -7.885 2.233 1.00 0.00 N ATOM 561 NH2 ARG A 838 -2.516 -6.423 3.012 1.00 0.00 N ATOM 0 H ARG A 838 5.047 -4.618 3.930 1.00 0.00 H new ATOM 0 HA ARG A 838 3.664 -6.794 2.686 1.00 0.00 H new ATOM 0 HB2 ARG A 838 3.752 -3.799 2.476 1.00 0.00 H new ATOM 0 HB3 ARG A 838 3.072 -4.690 1.129 1.00 0.00 H new ATOM 0 HG2 ARG A 838 2.144 -5.139 3.981 1.00 0.00 H new ATOM 0 HG3 ARG A 838 1.454 -3.890 2.964 1.00 0.00 H new ATOM 0 HD2 ARG A 838 1.128 -5.821 1.215 1.00 0.00 H new ATOM 0 HD3 ARG A 838 1.365 -6.890 2.583 1.00 0.00 H new ATOM 0 HE ARG A 838 -0.649 -4.780 3.007 1.00 0.00 H new ATOM 0 HH11 ARG A 838 0.032 -8.079 1.949 1.00 0.00 H new ATOM 0 HH12 ARG A 838 -1.629 -8.625 2.201 1.00 0.00 H new ATOM 0 HH21 ARG A 838 -2.779 -5.490 3.329 1.00 0.00 H new ATOM 0 HH22 ARG A 838 -3.214 -7.166 2.979 1.00 0.00 H new ATOM 575 N ILE A 839 5.987 -5.198 0.942 1.00 0.00 N ATOM 576 CA ILE A 839 6.875 -5.320 -0.207 1.00 0.00 C ATOM 577 C ILE A 839 7.746 -6.567 -0.099 1.00 0.00 C ATOM 578 O ILE A 839 7.782 -7.392 -1.011 1.00 0.00 O ATOM 579 CB ILE A 839 7.783 -4.084 -0.350 1.00 0.00 C ATOM 580 CG1 ILE A 839 6.939 -2.829 -0.585 1.00 0.00 C ATOM 581 CG2 ILE A 839 8.774 -4.283 -1.488 1.00 0.00 C ATOM 582 CD1 ILE A 839 7.601 -1.557 -0.103 1.00 0.00 C ATOM 0 H ILE A 839 6.105 -4.338 1.477 1.00 0.00 H new ATOM 0 HA ILE A 839 6.240 -5.399 -1.090 1.00 0.00 H new ATOM 0 HB ILE A 839 8.344 -3.954 0.576 1.00 0.00 H new ATOM 0 HG12 ILE A 839 6.727 -2.738 -1.650 1.00 0.00 H new ATOM 0 HG13 ILE A 839 5.981 -2.945 -0.078 1.00 0.00 H new ATOM 0 HG21 ILE A 839 9.408 -3.401 -1.576 1.00 0.00 H new ATOM 0 HG22 ILE A 839 9.393 -5.156 -1.283 1.00 0.00 H new ATOM 0 HG23 ILE A 839 8.231 -4.434 -2.421 1.00 0.00 H new ATOM 0 HD11 ILE A 839 6.946 -0.708 -0.302 1.00 0.00 H new ATOM 0 HD12 ILE A 839 7.788 -1.628 0.968 1.00 0.00 H new ATOM 0 HD13 ILE A 839 8.546 -1.417 -0.628 1.00 0.00 H new ATOM 594 N MET A 840 8.446 -6.697 1.024 1.00 0.00 N ATOM 595 CA MET A 840 9.315 -7.846 1.253 1.00 0.00 C ATOM 596 C MET A 840 8.560 -9.152 1.028 1.00 0.00 C ATOM 597 O MET A 840 8.941 -9.964 0.185 1.00 0.00 O ATOM 598 CB MET A 840 9.882 -7.808 2.673 1.00 0.00 C ATOM 599 CG MET A 840 10.597 -6.509 3.008 1.00 0.00 C ATOM 600 SD MET A 840 12.261 -6.434 2.318 1.00 0.00 S ATOM 601 CE MET A 840 13.239 -6.272 3.809 1.00 0.00 C ATOM 0 H MET A 840 8.428 -6.022 1.788 1.00 0.00 H new ATOM 0 HA MET A 840 10.138 -7.796 0.540 1.00 0.00 H new ATOM 0 HB2 MET A 840 9.070 -7.960 3.384 1.00 0.00 H new ATOM 0 HB3 MET A 840 10.576 -8.639 2.800 1.00 0.00 H new ATOM 0 HG2 MET A 840 10.013 -5.670 2.630 1.00 0.00 H new ATOM 0 HG3 MET A 840 10.652 -6.398 4.091 1.00 0.00 H new ATOM 0 HE1 MET A 840 14.135 -5.690 3.595 1.00 0.00 H new ATOM 0 HE2 MET A 840 12.652 -5.766 4.576 1.00 0.00 H new ATOM 0 HE3 MET A 840 13.525 -7.261 4.166 1.00 0.00 H new ATOM 611 N LYS A 841 7.489 -9.349 1.788 1.00 0.00 N ATOM 612 CA LYS A 841 6.679 -10.556 1.673 1.00 0.00 C ATOM 613 C LYS A 841 6.455 -10.923 0.209 1.00 0.00 C ATOM 614 O LYS A 841 6.875 -11.987 -0.245 1.00 0.00 O ATOM 615 CB LYS A 841 5.332 -10.361 2.372 1.00 0.00 C ATOM 616 CG LYS A 841 4.473 -11.613 2.399 1.00 0.00 C ATOM 617 CD LYS A 841 3.172 -11.381 3.148 1.00 0.00 C ATOM 618 CE LYS A 841 2.565 -12.690 3.631 1.00 0.00 C ATOM 619 NZ LYS A 841 1.176 -12.505 4.135 1.00 0.00 N ATOM 0 H LYS A 841 7.161 -8.687 2.492 1.00 0.00 H new ATOM 0 HA LYS A 841 7.217 -11.371 2.156 1.00 0.00 H new ATOM 0 HB2 LYS A 841 5.508 -10.029 3.395 1.00 0.00 H new ATOM 0 HB3 LYS A 841 4.783 -9.565 1.869 1.00 0.00 H new ATOM 0 HG2 LYS A 841 4.255 -11.928 1.378 1.00 0.00 H new ATOM 0 HG3 LYS A 841 5.026 -12.425 2.872 1.00 0.00 H new ATOM 0 HD2 LYS A 841 3.354 -10.727 4.001 1.00 0.00 H new ATOM 0 HD3 LYS A 841 2.463 -10.868 2.498 1.00 0.00 H new ATOM 0 HE2 LYS A 841 2.562 -13.412 2.814 1.00 0.00 H new ATOM 0 HE3 LYS A 841 3.186 -13.108 4.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 0.798 -13.420 4.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 1.182 -11.836 4.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 0.577 -12.130 3.372 1.00 0.00 H new ATOM 633 N MET A 842 5.793 -10.034 -0.524 1.00 0.00 N ATOM 634 CA MET A 842 5.516 -10.265 -1.938 1.00 0.00 C ATOM 635 C MET A 842 6.789 -10.652 -2.684 1.00 0.00 C ATOM 636 O MET A 842 6.764 -11.503 -3.573 1.00 0.00 O ATOM 637 CB MET A 842 4.901 -9.015 -2.569 1.00 0.00 C ATOM 638 CG MET A 842 3.479 -8.738 -2.108 1.00 0.00 C ATOM 639 SD MET A 842 2.251 -9.660 -3.053 1.00 0.00 S ATOM 640 CE MET A 842 1.185 -10.249 -1.739 1.00 0.00 C ATOM 0 H MET A 842 5.439 -9.148 -0.163 1.00 0.00 H new ATOM 0 HA MET A 842 4.806 -11.089 -2.015 1.00 0.00 H new ATOM 0 HB2 MET A 842 5.525 -8.154 -2.332 1.00 0.00 H new ATOM 0 HB3 MET A 842 4.908 -9.125 -3.653 1.00 0.00 H new ATOM 0 HG2 MET A 842 3.387 -8.994 -1.053 1.00 0.00 H new ATOM 0 HG3 MET A 842 3.274 -7.671 -2.196 1.00 0.00 H new ATOM 0 HE1 MET A 842 0.374 -10.839 -2.166 1.00 0.00 H new ATOM 0 HE2 MET A 842 1.762 -10.869 -1.053 1.00 0.00 H new ATOM 0 HE3 MET A 842 0.770 -9.398 -1.198 1.00 0.00 H new ATOM 650 N ARG A 843 7.900 -10.021 -2.318 1.00 0.00 N ATOM 651 CA ARG A 843 9.182 -10.299 -2.954 1.00 0.00 C ATOM 652 C ARG A 843 10.020 -11.244 -2.099 1.00 0.00 C ATOM 653 O ARG A 843 10.725 -10.812 -1.187 1.00 0.00 O ATOM 654 CB ARG A 843 9.948 -8.997 -3.196 1.00 0.00 C ATOM 655 CG ARG A 843 9.173 -7.976 -4.014 1.00 0.00 C ATOM 656 CD ARG A 843 9.172 -8.332 -5.492 1.00 0.00 C ATOM 657 NE ARG A 843 10.525 -8.404 -6.038 1.00 0.00 N ATOM 658 CZ ARG A 843 10.792 -8.425 -7.339 1.00 0.00 C ATOM 659 NH1 ARG A 843 9.804 -8.380 -8.223 1.00 0.00 N ATOM 660 NH2 ARG A 843 12.049 -8.492 -7.759 1.00 0.00 N ATOM 0 H ARG A 843 7.938 -9.314 -1.584 1.00 0.00 H new ATOM 0 HA ARG A 843 8.987 -10.781 -3.912 1.00 0.00 H new ATOM 0 HB2 ARG A 843 10.210 -8.556 -2.234 1.00 0.00 H new ATOM 0 HB3 ARG A 843 10.883 -9.225 -3.708 1.00 0.00 H new ATOM 0 HG2 ARG A 843 8.147 -7.921 -3.651 1.00 0.00 H new ATOM 0 HG3 ARG A 843 9.613 -6.988 -3.877 1.00 0.00 H new ATOM 0 HD2 ARG A 843 8.672 -9.290 -5.634 1.00 0.00 H new ATOM 0 HD3 ARG A 843 8.597 -7.588 -6.044 1.00 0.00 H new ATOM 0 HE ARG A 843 11.307 -8.440 -5.385 1.00 0.00 H new ATOM 0 HH11 ARG A 843 8.836 -8.329 -7.904 1.00 0.00 H new ATOM 0 HH12 ARG A 843 10.012 -8.396 -9.221 1.00 0.00 H new ATOM 0 HH21 ARG A 843 12.812 -8.527 -7.082 1.00 0.00 H new ATOM 0 HH22 ARG A 843 12.253 -8.508 -8.758 1.00 0.00 H new ATOM 674 N LYS A 844 9.938 -12.535 -2.400 1.00 0.00 N ATOM 675 CA LYS A 844 10.689 -13.543 -1.660 1.00 0.00 C ATOM 676 C LYS A 844 12.042 -12.996 -1.215 1.00 0.00 C ATOM 677 O LYS A 844 12.458 -13.191 -0.073 1.00 0.00 O ATOM 678 CB LYS A 844 10.890 -14.792 -2.520 1.00 0.00 C ATOM 679 CG LYS A 844 9.591 -15.427 -2.985 1.00 0.00 C ATOM 680 CD LYS A 844 8.866 -16.115 -1.840 1.00 0.00 C ATOM 681 CE LYS A 844 7.595 -16.800 -2.317 1.00 0.00 C ATOM 682 NZ LYS A 844 7.882 -18.098 -2.989 1.00 0.00 N ATOM 0 H LYS A 844 9.359 -12.909 -3.152 1.00 0.00 H new ATOM 0 HA LYS A 844 10.115 -13.809 -0.773 1.00 0.00 H new ATOM 0 HB2 LYS A 844 11.489 -14.530 -3.392 1.00 0.00 H new ATOM 0 HB3 LYS A 844 11.460 -15.526 -1.951 1.00 0.00 H new ATOM 0 HG2 LYS A 844 8.946 -14.663 -3.418 1.00 0.00 H new ATOM 0 HG3 LYS A 844 9.800 -16.151 -3.772 1.00 0.00 H new ATOM 0 HD2 LYS A 844 9.526 -16.850 -1.379 1.00 0.00 H new ATOM 0 HD3 LYS A 844 8.619 -15.382 -1.072 1.00 0.00 H new ATOM 0 HE2 LYS A 844 6.933 -16.970 -1.468 1.00 0.00 H new ATOM 0 HE3 LYS A 844 7.066 -16.143 -3.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 844 6.990 -18.533 -3.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 844 8.493 -17.934 -3.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 844 8.364 -18.735 -2.323 1.00 0.00 H new ATOM 696 N THR A 845 12.725 -12.308 -2.125 1.00 0.00 N ATOM 697 CA THR A 845 14.030 -11.732 -1.827 1.00 0.00 C ATOM 698 C THR A 845 14.172 -10.344 -2.441 1.00 0.00 C ATOM 699 O THR A 845 13.883 -10.144 -3.621 1.00 0.00 O ATOM 700 CB THR A 845 15.171 -12.629 -2.344 1.00 0.00 C ATOM 701 OG1 THR A 845 15.007 -13.964 -1.851 1.00 0.00 O ATOM 702 CG2 THR A 845 16.525 -12.086 -1.910 1.00 0.00 C ATOM 0 H THR A 845 12.395 -12.136 -3.075 1.00 0.00 H new ATOM 0 HA THR A 845 14.101 -11.655 -0.742 1.00 0.00 H new ATOM 0 HB THR A 845 15.132 -12.637 -3.433 1.00 0.00 H new ATOM 0 HG1 THR A 845 15.713 -14.162 -1.201 1.00 0.00 H new ATOM 0 HG21 THR A 845 17.315 -12.736 -2.287 1.00 0.00 H new ATOM 0 HG22 THR A 845 16.659 -11.081 -2.311 1.00 0.00 H new ATOM 0 HG23 THR A 845 16.571 -12.052 -0.822 1.00 0.00 H new ATOM 710 N LEU A 846 14.620 -9.389 -1.634 1.00 0.00 N ATOM 711 CA LEU A 846 14.802 -8.018 -2.099 1.00 0.00 C ATOM 712 C LEU A 846 15.990 -7.360 -1.404 1.00 0.00 C ATOM 713 O LEU A 846 16.401 -7.782 -0.323 1.00 0.00 O ATOM 714 CB LEU A 846 13.533 -7.201 -1.847 1.00 0.00 C ATOM 715 CG LEU A 846 13.273 -6.050 -2.819 1.00 0.00 C ATOM 716 CD1 LEU A 846 12.748 -6.579 -4.145 1.00 0.00 C ATOM 717 CD2 LEU A 846 12.294 -5.053 -2.215 1.00 0.00 C ATOM 0 H LEU A 846 14.864 -9.538 -0.655 1.00 0.00 H new ATOM 0 HA LEU A 846 15.002 -8.047 -3.170 1.00 0.00 H new ATOM 0 HB2 LEU A 846 12.678 -7.876 -1.878 1.00 0.00 H new ATOM 0 HB3 LEU A 846 13.582 -6.794 -0.837 1.00 0.00 H new ATOM 0 HG LEU A 846 14.216 -5.536 -3.004 1.00 0.00 H new ATOM 0 HD11 LEU A 846 12.569 -5.745 -4.824 1.00 0.00 H new ATOM 0 HD12 LEU A 846 13.483 -7.253 -4.584 1.00 0.00 H new ATOM 0 HD13 LEU A 846 11.815 -7.118 -3.978 1.00 0.00 H new ATOM 0 HD21 LEU A 846 12.121 -4.240 -2.920 1.00 0.00 H new ATOM 0 HD22 LEU A 846 11.350 -5.554 -2.000 1.00 0.00 H new ATOM 0 HD23 LEU A 846 12.709 -4.649 -1.292 1.00 0.00 H new ATOM 729 N SER A 847 16.536 -6.324 -2.032 1.00 0.00 N ATOM 730 CA SER A 847 17.678 -5.608 -1.475 1.00 0.00 C ATOM 731 C SER A 847 17.249 -4.262 -0.901 1.00 0.00 C ATOM 732 O SER A 847 16.069 -3.911 -0.927 1.00 0.00 O ATOM 733 CB SER A 847 18.749 -5.400 -2.547 1.00 0.00 C ATOM 734 OG SER A 847 18.234 -4.671 -3.648 1.00 0.00 O ATOM 0 H SER A 847 16.206 -5.962 -2.927 1.00 0.00 H new ATOM 0 HA SER A 847 18.094 -6.211 -0.668 1.00 0.00 H new ATOM 0 HB2 SER A 847 19.598 -4.867 -2.119 1.00 0.00 H new ATOM 0 HB3 SER A 847 19.119 -6.367 -2.888 1.00 0.00 H new ATOM 0 HG SER A 847 18.938 -4.550 -4.318 1.00 0.00 H new ATOM 740 N HIS A 848 18.215 -3.510 -0.383 1.00 0.00 N ATOM 741 CA HIS A 848 17.938 -2.201 0.197 1.00 0.00 C ATOM 742 C HIS A 848 17.419 -1.236 -0.864 1.00 0.00 C ATOM 743 O HIS A 848 16.283 -0.770 -0.790 1.00 0.00 O ATOM 744 CB HIS A 848 19.199 -1.632 0.848 1.00 0.00 C ATOM 745 CG HIS A 848 18.952 -0.386 1.642 1.00 0.00 C ATOM 746 ND1 HIS A 848 18.603 -0.400 2.976 1.00 0.00 N ATOM 747 CD2 HIS A 848 19.009 0.918 1.283 1.00 0.00 C ATOM 748 CE1 HIS A 848 18.453 0.842 3.402 1.00 0.00 C ATOM 749 NE2 HIS A 848 18.694 1.661 2.395 1.00 0.00 N ATOM 0 H HIS A 848 19.197 -3.785 -0.353 1.00 0.00 H new ATOM 0 HA HIS A 848 17.168 -2.323 0.959 1.00 0.00 H new ATOM 0 HB2 HIS A 848 19.634 -2.389 1.501 1.00 0.00 H new ATOM 0 HB3 HIS A 848 19.934 -1.419 0.072 1.00 0.00 H new ATOM 0 HD2 HIS A 848 19.256 1.303 0.305 1.00 0.00 H new ATOM 0 HE1 HIS A 848 18.180 1.137 4.404 1.00 0.00 H new ATOM 0 HE2 HIS A 848 18.653 2.679 2.436 1.00 0.00 H new ATOM 757 N ASN A 849 18.260 -0.939 -1.849 1.00 0.00 N ATOM 758 CA ASN A 849 17.886 -0.027 -2.925 1.00 0.00 C ATOM 759 C ASN A 849 16.449 -0.276 -3.374 1.00 0.00 C ATOM 760 O ASN A 849 15.616 0.631 -3.358 1.00 0.00 O ATOM 761 CB ASN A 849 18.838 -0.188 -4.112 1.00 0.00 C ATOM 762 CG ASN A 849 18.598 0.851 -5.190 1.00 0.00 C ATOM 763 OD1 ASN A 849 18.004 0.560 -6.228 1.00 0.00 O ATOM 764 ND2 ASN A 849 19.061 2.072 -4.948 1.00 0.00 N ATOM 0 H ASN A 849 19.205 -1.316 -1.925 1.00 0.00 H new ATOM 0 HA ASN A 849 17.958 0.992 -2.545 1.00 0.00 H new ATOM 0 HB2 ASN A 849 19.867 -0.113 -3.762 1.00 0.00 H new ATOM 0 HB3 ASN A 849 18.718 -1.184 -4.538 1.00 0.00 H new ATOM 0 HD21 ASN A 849 18.930 2.813 -5.637 1.00 0.00 H new ATOM 0 HD22 ASN A 849 19.548 2.269 -4.074 1.00 0.00 H new ATOM 771 N LEU A 850 16.166 -1.511 -3.773 1.00 0.00 N ATOM 772 CA LEU A 850 14.830 -1.881 -4.227 1.00 0.00 C ATOM 773 C LEU A 850 13.813 -1.738 -3.099 1.00 0.00 C ATOM 774 O LEU A 850 12.716 -1.214 -3.299 1.00 0.00 O ATOM 775 CB LEU A 850 14.827 -3.318 -4.751 1.00 0.00 C ATOM 776 CG LEU A 850 15.245 -3.500 -6.211 1.00 0.00 C ATOM 777 CD1 LEU A 850 14.360 -2.670 -7.127 1.00 0.00 C ATOM 778 CD2 LEU A 850 16.709 -3.126 -6.397 1.00 0.00 C ATOM 0 H LEU A 850 16.844 -2.273 -3.791 1.00 0.00 H new ATOM 0 HA LEU A 850 14.548 -1.206 -5.035 1.00 0.00 H new ATOM 0 HB2 LEU A 850 15.493 -3.913 -4.126 1.00 0.00 H new ATOM 0 HB3 LEU A 850 13.824 -3.727 -4.627 1.00 0.00 H new ATOM 0 HG LEU A 850 15.123 -4.550 -6.476 1.00 0.00 H new ATOM 0 HD11 LEU A 850 14.672 -2.812 -8.162 1.00 0.00 H new ATOM 0 HD12 LEU A 850 13.323 -2.985 -7.014 1.00 0.00 H new ATOM 0 HD13 LEU A 850 14.450 -1.616 -6.863 1.00 0.00 H new ATOM 0 HD21 LEU A 850 16.989 -3.262 -7.442 1.00 0.00 H new ATOM 0 HD22 LEU A 850 16.857 -2.084 -6.114 1.00 0.00 H new ATOM 0 HD23 LEU A 850 17.330 -3.764 -5.769 1.00 0.00 H new ATOM 790 N LEU A 851 14.185 -2.204 -1.912 1.00 0.00 N ATOM 791 CA LEU A 851 13.306 -2.126 -0.749 1.00 0.00 C ATOM 792 C LEU A 851 12.859 -0.689 -0.500 1.00 0.00 C ATOM 793 O LEU A 851 11.699 -0.341 -0.723 1.00 0.00 O ATOM 794 CB LEU A 851 14.017 -2.673 0.490 1.00 0.00 C ATOM 795 CG LEU A 851 13.429 -2.259 1.839 1.00 0.00 C ATOM 796 CD1 LEU A 851 12.018 -2.803 1.996 1.00 0.00 C ATOM 797 CD2 LEU A 851 14.318 -2.737 2.978 1.00 0.00 C ATOM 0 H LEU A 851 15.089 -2.640 -1.729 1.00 0.00 H new ATOM 0 HA LEU A 851 12.423 -2.732 -0.951 1.00 0.00 H new ATOM 0 HB2 LEU A 851 14.015 -3.762 0.434 1.00 0.00 H new ATOM 0 HB3 LEU A 851 15.059 -2.354 0.457 1.00 0.00 H new ATOM 0 HG LEU A 851 13.382 -1.171 1.875 1.00 0.00 H new ATOM 0 HD11 LEU A 851 11.616 -2.498 2.962 1.00 0.00 H new ATOM 0 HD12 LEU A 851 11.386 -2.410 1.200 1.00 0.00 H new ATOM 0 HD13 LEU A 851 12.039 -3.891 1.939 1.00 0.00 H new ATOM 0 HD21 LEU A 851 13.884 -2.433 3.931 1.00 0.00 H new ATOM 0 HD22 LEU A 851 14.398 -3.824 2.946 1.00 0.00 H new ATOM 0 HD23 LEU A 851 15.310 -2.297 2.875 1.00 0.00 H new ATOM 809 N VAL A 852 13.788 0.143 -0.039 1.00 0.00 N ATOM 810 CA VAL A 852 13.490 1.543 0.237 1.00 0.00 C ATOM 811 C VAL A 852 12.683 2.167 -0.895 1.00 0.00 C ATOM 812 O VAL A 852 11.721 2.897 -0.656 1.00 0.00 O ATOM 813 CB VAL A 852 14.780 2.360 0.444 1.00 0.00 C ATOM 814 CG1 VAL A 852 15.663 1.707 1.496 1.00 0.00 C ATOM 815 CG2 VAL A 852 15.528 2.516 -0.871 1.00 0.00 C ATOM 0 H VAL A 852 14.753 -0.128 0.151 1.00 0.00 H new ATOM 0 HA VAL A 852 12.901 1.567 1.154 1.00 0.00 H new ATOM 0 HB VAL A 852 14.507 3.353 0.800 1.00 0.00 H new ATOM 0 HG11 VAL A 852 16.569 2.298 1.628 1.00 0.00 H new ATOM 0 HG12 VAL A 852 15.123 1.653 2.442 1.00 0.00 H new ATOM 0 HG13 VAL A 852 15.930 0.701 1.173 1.00 0.00 H new ATOM 0 HG21 VAL A 852 16.436 3.096 -0.706 1.00 0.00 H new ATOM 0 HG22 VAL A 852 15.791 1.532 -1.259 1.00 0.00 H new ATOM 0 HG23 VAL A 852 14.894 3.033 -1.591 1.00 0.00 H new ATOM 825 N SER A 853 13.080 1.874 -2.129 1.00 0.00 N ATOM 826 CA SER A 853 12.395 2.409 -3.300 1.00 0.00 C ATOM 827 C SER A 853 10.906 2.079 -3.256 1.00 0.00 C ATOM 828 O SER A 853 10.062 2.974 -3.230 1.00 0.00 O ATOM 829 CB SER A 853 13.016 1.848 -4.581 1.00 0.00 C ATOM 830 OG SER A 853 12.591 2.582 -5.717 1.00 0.00 O ATOM 0 H SER A 853 13.873 1.269 -2.344 1.00 0.00 H new ATOM 0 HA SER A 853 12.510 3.493 -3.294 1.00 0.00 H new ATOM 0 HB2 SER A 853 14.103 1.882 -4.507 1.00 0.00 H new ATOM 0 HB3 SER A 853 12.737 0.800 -4.696 1.00 0.00 H new ATOM 0 HG SER A 853 13.003 2.205 -6.523 1.00 0.00 H new ATOM 836 N GLU A 854 10.593 0.787 -3.249 1.00 0.00 N ATOM 837 CA GLU A 854 9.206 0.339 -3.209 1.00 0.00 C ATOM 838 C GLU A 854 8.432 1.061 -2.110 1.00 0.00 C ATOM 839 O GLU A 854 7.383 1.654 -2.361 1.00 0.00 O ATOM 840 CB GLU A 854 9.142 -1.173 -2.984 1.00 0.00 C ATOM 841 CG GLU A 854 9.726 -1.984 -4.129 1.00 0.00 C ATOM 842 CD GLU A 854 8.981 -1.773 -5.433 1.00 0.00 C ATOM 843 OE1 GLU A 854 7.876 -2.334 -5.583 1.00 0.00 O ATOM 844 OE2 GLU A 854 9.504 -1.046 -6.303 1.00 0.00 O ATOM 0 H GLU A 854 11.280 0.033 -3.270 1.00 0.00 H new ATOM 0 HA GLU A 854 8.747 0.576 -4.169 1.00 0.00 H new ATOM 0 HB2 GLU A 854 9.677 -1.418 -2.066 1.00 0.00 H new ATOM 0 HB3 GLU A 854 8.103 -1.466 -2.835 1.00 0.00 H new ATOM 0 HG2 GLU A 854 10.773 -1.712 -4.265 1.00 0.00 H new ATOM 0 HG3 GLU A 854 9.703 -3.042 -3.869 1.00 0.00 H new ATOM 851 N VAL A 855 8.957 1.004 -0.890 1.00 0.00 N ATOM 852 CA VAL A 855 8.317 1.652 0.249 1.00 0.00 C ATOM 853 C VAL A 855 7.914 3.083 -0.089 1.00 0.00 C ATOM 854 O VAL A 855 6.757 3.470 0.079 1.00 0.00 O ATOM 855 CB VAL A 855 9.243 1.668 1.479 1.00 0.00 C ATOM 856 CG1 VAL A 855 8.684 2.584 2.557 1.00 0.00 C ATOM 857 CG2 VAL A 855 9.438 0.258 2.016 1.00 0.00 C ATOM 0 H VAL A 855 9.824 0.516 -0.665 1.00 0.00 H new ATOM 0 HA VAL A 855 7.425 1.072 0.483 1.00 0.00 H new ATOM 0 HB VAL A 855 10.215 2.055 1.175 1.00 0.00 H new ATOM 0 HG11 VAL A 855 9.352 2.582 3.418 1.00 0.00 H new ATOM 0 HG12 VAL A 855 8.600 3.598 2.165 1.00 0.00 H new ATOM 0 HG13 VAL A 855 7.699 2.229 2.861 1.00 0.00 H new ATOM 0 HG21 VAL A 855 10.095 0.287 2.885 1.00 0.00 H new ATOM 0 HG22 VAL A 855 8.473 -0.158 2.305 1.00 0.00 H new ATOM 0 HG23 VAL A 855 9.886 -0.367 1.243 1.00 0.00 H new ATOM 867 N TYR A 856 8.876 3.866 -0.565 1.00 0.00 N ATOM 868 CA TYR A 856 8.622 5.256 -0.925 1.00 0.00 C ATOM 869 C TYR A 856 7.427 5.366 -1.866 1.00 0.00 C ATOM 870 O TYR A 856 6.596 6.263 -1.730 1.00 0.00 O ATOM 871 CB TYR A 856 9.860 5.869 -1.581 1.00 0.00 C ATOM 872 CG TYR A 856 11.027 6.038 -0.634 1.00 0.00 C ATOM 873 CD1 TYR A 856 10.864 6.662 0.596 1.00 0.00 C ATOM 874 CD2 TYR A 856 12.292 5.572 -0.970 1.00 0.00 C ATOM 875 CE1 TYR A 856 11.927 6.820 1.464 1.00 0.00 C ATOM 876 CE2 TYR A 856 13.361 5.724 -0.107 1.00 0.00 C ATOM 877 CZ TYR A 856 13.173 6.348 1.108 1.00 0.00 C ATOM 878 OH TYR A 856 14.235 6.502 1.970 1.00 0.00 O ATOM 0 H TYR A 856 9.839 3.562 -0.710 1.00 0.00 H new ATOM 0 HA TYR A 856 8.393 5.805 -0.012 1.00 0.00 H new ATOM 0 HB2 TYR A 856 10.168 5.239 -2.415 1.00 0.00 H new ATOM 0 HB3 TYR A 856 9.597 6.842 -1.997 1.00 0.00 H new ATOM 0 HD1 TYR A 856 9.889 7.030 0.879 1.00 0.00 H new ATOM 0 HD2 TYR A 856 12.443 5.083 -1.921 1.00 0.00 H new ATOM 0 HE1 TYR A 856 11.783 7.310 2.416 1.00 0.00 H new ATOM 0 HE2 TYR A 856 14.338 5.356 -0.383 1.00 0.00 H new ATOM 0 HH TYR A 856 14.022 7.194 2.631 1.00 0.00 H new ATOM 888 N ASN A 857 7.347 4.445 -2.821 1.00 0.00 N ATOM 889 CA ASN A 857 6.254 4.437 -3.786 1.00 0.00 C ATOM 890 C ASN A 857 4.928 4.118 -3.103 1.00 0.00 C ATOM 891 O ASN A 857 3.870 4.572 -3.538 1.00 0.00 O ATOM 892 CB ASN A 857 6.529 3.416 -4.892 1.00 0.00 C ATOM 893 CG ASN A 857 5.505 3.482 -6.008 1.00 0.00 C ATOM 894 OD1 ASN A 857 4.324 3.732 -5.768 1.00 0.00 O ATOM 895 ND2 ASN A 857 5.955 3.257 -7.237 1.00 0.00 N ATOM 0 H ASN A 857 8.026 3.695 -2.947 1.00 0.00 H new ATOM 0 HA ASN A 857 6.185 5.431 -4.228 1.00 0.00 H new ATOM 0 HB2 ASN A 857 7.523 3.590 -5.304 1.00 0.00 H new ATOM 0 HB3 ASN A 857 6.532 2.413 -4.464 1.00 0.00 H new ATOM 0 HD21 ASN A 857 5.313 3.288 -8.029 1.00 0.00 H new ATOM 0 HD22 ASN A 857 6.943 3.053 -7.389 1.00 0.00 H new ATOM 902 N GLN A 858 4.994 3.335 -2.031 1.00 0.00 N ATOM 903 CA GLN A 858 3.798 2.956 -1.288 1.00 0.00 C ATOM 904 C GLN A 858 3.314 4.106 -0.412 1.00 0.00 C ATOM 905 O GLN A 858 2.110 4.324 -0.263 1.00 0.00 O ATOM 906 CB GLN A 858 4.077 1.724 -0.425 1.00 0.00 C ATOM 907 CG GLN A 858 4.115 0.425 -1.213 1.00 0.00 C ATOM 908 CD GLN A 858 2.767 0.059 -1.800 1.00 0.00 C ATOM 909 OE1 GLN A 858 1.726 0.273 -1.177 1.00 0.00 O ATOM 910 NE2 GLN A 858 2.777 -0.497 -3.006 1.00 0.00 N ATOM 0 H GLN A 858 5.862 2.951 -1.658 1.00 0.00 H new ATOM 0 HA GLN A 858 3.015 2.717 -2.007 1.00 0.00 H new ATOM 0 HB2 GLN A 858 5.030 1.857 0.086 1.00 0.00 H new ATOM 0 HB3 GLN A 858 3.310 1.649 0.346 1.00 0.00 H new ATOM 0 HG2 GLN A 858 4.845 0.514 -2.017 1.00 0.00 H new ATOM 0 HG3 GLN A 858 4.454 -0.381 -0.562 1.00 0.00 H new ATOM 0 HE21 GLN A 858 3.662 -0.656 -3.487 1.00 0.00 H new ATOM 0 HE22 GLN A 858 1.899 -0.765 -3.451 1.00 0.00 H new ATOM 919 N LEU A 859 4.258 4.840 0.167 1.00 0.00 N ATOM 920 CA LEU A 859 3.927 5.970 1.029 1.00 0.00 C ATOM 921 C LEU A 859 3.800 7.255 0.219 1.00 0.00 C ATOM 922 O LEU A 859 4.668 7.579 -0.593 1.00 0.00 O ATOM 923 CB LEU A 859 4.995 6.139 2.112 1.00 0.00 C ATOM 924 CG LEU A 859 5.339 4.886 2.917 1.00 0.00 C ATOM 925 CD1 LEU A 859 6.178 5.246 4.133 1.00 0.00 C ATOM 926 CD2 LEU A 859 4.071 4.158 3.339 1.00 0.00 C ATOM 0 H LEU A 859 5.258 4.673 0.055 1.00 0.00 H new ATOM 0 HA LEU A 859 2.967 5.766 1.502 1.00 0.00 H new ATOM 0 HB2 LEU A 859 5.907 6.505 1.641 1.00 0.00 H new ATOM 0 HB3 LEU A 859 4.662 6.912 2.805 1.00 0.00 H new ATOM 0 HG LEU A 859 5.923 4.219 2.282 1.00 0.00 H new ATOM 0 HD11 LEU A 859 6.413 4.341 4.694 1.00 0.00 H new ATOM 0 HD12 LEU A 859 7.103 5.722 3.809 1.00 0.00 H new ATOM 0 HD13 LEU A 859 5.620 5.933 4.770 1.00 0.00 H new ATOM 0 HD21 LEU A 859 4.335 3.269 3.911 1.00 0.00 H new ATOM 0 HD22 LEU A 859 3.461 4.818 3.956 1.00 0.00 H new ATOM 0 HD23 LEU A 859 3.507 3.865 2.453 1.00 0.00 H new ATOM 938 N LYS A 860 2.714 7.986 0.445 1.00 0.00 N ATOM 939 CA LYS A 860 2.474 9.239 -0.261 1.00 0.00 C ATOM 940 C LYS A 860 3.437 10.323 0.211 1.00 0.00 C ATOM 941 O LYS A 860 3.660 11.315 -0.484 1.00 0.00 O ATOM 942 CB LYS A 860 1.029 9.698 -0.050 1.00 0.00 C ATOM 943 CG LYS A 860 0.744 10.183 1.360 1.00 0.00 C ATOM 944 CD LYS A 860 -0.603 10.879 1.450 1.00 0.00 C ATOM 945 CE LYS A 860 -1.751 9.887 1.340 1.00 0.00 C ATOM 946 NZ LYS A 860 -3.031 10.462 1.839 1.00 0.00 N ATOM 0 H LYS A 860 1.985 7.732 1.112 1.00 0.00 H new ATOM 0 HA LYS A 860 2.643 9.066 -1.324 1.00 0.00 H new ATOM 0 HB2 LYS A 860 0.805 10.500 -0.753 1.00 0.00 H new ATOM 0 HB3 LYS A 860 0.357 8.872 -0.284 1.00 0.00 H new ATOM 0 HG2 LYS A 860 0.764 9.337 2.047 1.00 0.00 H new ATOM 0 HG3 LYS A 860 1.530 10.869 1.676 1.00 0.00 H new ATOM 0 HD2 LYS A 860 -0.674 11.416 2.396 1.00 0.00 H new ATOM 0 HD3 LYS A 860 -0.684 11.621 0.656 1.00 0.00 H new ATOM 0 HE2 LYS A 860 -1.870 9.584 0.300 1.00 0.00 H new ATOM 0 HE3 LYS A 860 -1.510 8.989 1.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 860 -3.788 9.755 1.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 860 -2.926 10.728 2.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 860 -3.274 11.305 1.280 1.00 0.00 H new ATOM 960 N PHE A 861 4.005 10.128 1.396 1.00 0.00 N ATOM 961 CA PHE A 861 4.945 11.089 1.961 1.00 0.00 C ATOM 962 C PHE A 861 6.352 10.502 2.024 1.00 0.00 C ATOM 963 O PHE A 861 6.543 9.304 2.231 1.00 0.00 O ATOM 964 CB PHE A 861 4.495 11.513 3.361 1.00 0.00 C ATOM 965 CG PHE A 861 4.719 10.459 4.407 1.00 0.00 C ATOM 966 CD1 PHE A 861 3.776 9.467 4.624 1.00 0.00 C ATOM 967 CD2 PHE A 861 5.873 10.460 5.174 1.00 0.00 C ATOM 968 CE1 PHE A 861 3.979 8.497 5.587 1.00 0.00 C ATOM 969 CE2 PHE A 861 6.082 9.492 6.138 1.00 0.00 C ATOM 970 CZ PHE A 861 5.135 8.509 6.344 1.00 0.00 C ATOM 0 H PHE A 861 3.831 9.313 1.984 1.00 0.00 H new ATOM 0 HA PHE A 861 4.964 11.964 1.312 1.00 0.00 H new ATOM 0 HB2 PHE A 861 5.031 12.418 3.648 1.00 0.00 H new ATOM 0 HB3 PHE A 861 3.435 11.766 3.332 1.00 0.00 H new ATOM 0 HD1 PHE A 861 2.872 9.452 4.034 1.00 0.00 H new ATOM 0 HD2 PHE A 861 6.618 11.226 5.017 1.00 0.00 H new ATOM 0 HE1 PHE A 861 3.235 7.731 5.748 1.00 0.00 H new ATOM 0 HE2 PHE A 861 6.985 9.505 6.730 1.00 0.00 H new ATOM 0 HZ PHE A 861 5.297 7.751 7.096 1.00 0.00 H new ATOM 980 N PRO A 862 7.362 11.366 1.839 1.00 0.00 N ATOM 981 CA PRO A 862 8.769 10.956 1.870 1.00 0.00 C ATOM 982 C PRO A 862 9.229 10.566 3.270 1.00 0.00 C ATOM 983 O PRO A 862 8.827 11.178 4.260 1.00 0.00 O ATOM 984 CB PRO A 862 9.512 12.206 1.392 1.00 0.00 C ATOM 985 CG PRO A 862 8.607 13.339 1.733 1.00 0.00 C ATOM 986 CD PRO A 862 7.207 12.808 1.588 1.00 0.00 C ATOM 0 HA PRO A 862 8.950 10.074 1.256 1.00 0.00 H new ATOM 0 HB2 PRO A 862 10.477 12.307 1.889 1.00 0.00 H new ATOM 0 HB3 PRO A 862 9.708 12.165 0.321 1.00 0.00 H new ATOM 0 HG2 PRO A 862 8.788 13.691 2.749 1.00 0.00 H new ATOM 0 HG3 PRO A 862 8.774 14.186 1.068 1.00 0.00 H new ATOM 0 HD2 PRO A 862 6.526 13.270 2.303 1.00 0.00 H new ATOM 0 HD3 PRO A 862 6.805 13.002 0.594 1.00 0.00 H new ATOM 994 N VAL A 863 10.074 9.542 3.347 1.00 0.00 N ATOM 995 CA VAL A 863 10.589 9.071 4.627 1.00 0.00 C ATOM 996 C VAL A 863 12.105 9.217 4.695 1.00 0.00 C ATOM 997 O VAL A 863 12.817 8.870 3.753 1.00 0.00 O ATOM 998 CB VAL A 863 10.215 7.598 4.874 1.00 0.00 C ATOM 999 CG1 VAL A 863 10.798 7.113 6.193 1.00 0.00 C ATOM 1000 CG2 VAL A 863 8.704 7.422 4.853 1.00 0.00 C ATOM 0 H VAL A 863 10.416 9.023 2.538 1.00 0.00 H new ATOM 0 HA VAL A 863 10.132 9.689 5.400 1.00 0.00 H new ATOM 0 HB VAL A 863 10.640 6.994 4.072 1.00 0.00 H new ATOM 0 HG11 VAL A 863 10.523 6.070 6.351 1.00 0.00 H new ATOM 0 HG12 VAL A 863 11.884 7.202 6.165 1.00 0.00 H new ATOM 0 HG13 VAL A 863 10.405 7.719 7.009 1.00 0.00 H new ATOM 0 HG21 VAL A 863 8.457 6.375 5.029 1.00 0.00 H new ATOM 0 HG22 VAL A 863 8.255 8.037 5.633 1.00 0.00 H new ATOM 0 HG23 VAL A 863 8.316 7.728 3.882 1.00 0.00 H new ATOM 1010 N LYS A 864 12.594 9.733 5.818 1.00 0.00 N ATOM 1011 CA LYS A 864 14.026 9.924 6.013 1.00 0.00 C ATOM 1012 C LYS A 864 14.765 8.591 5.964 1.00 0.00 C ATOM 1013 O LYS A 864 14.208 7.534 6.261 1.00 0.00 O ATOM 1014 CB LYS A 864 14.292 10.618 7.351 1.00 0.00 C ATOM 1015 CG LYS A 864 13.725 12.025 7.429 1.00 0.00 C ATOM 1016 CD LYS A 864 13.857 12.602 8.829 1.00 0.00 C ATOM 1017 CE LYS A 864 12.795 12.044 9.764 1.00 0.00 C ATOM 1018 NZ LYS A 864 11.459 12.653 9.512 1.00 0.00 N ATOM 0 H LYS A 864 12.019 10.027 6.607 1.00 0.00 H new ATOM 0 HA LYS A 864 14.396 10.554 5.204 1.00 0.00 H new ATOM 0 HB2 LYS A 864 13.864 10.018 8.154 1.00 0.00 H new ATOM 0 HB3 LYS A 864 15.368 10.659 7.522 1.00 0.00 H new ATOM 0 HG2 LYS A 864 14.245 12.668 6.719 1.00 0.00 H new ATOM 0 HG3 LYS A 864 12.675 12.012 7.137 1.00 0.00 H new ATOM 0 HD2 LYS A 864 14.847 12.376 9.225 1.00 0.00 H new ATOM 0 HD3 LYS A 864 13.771 13.688 8.786 1.00 0.00 H new ATOM 0 HE2 LYS A 864 12.731 10.963 9.637 1.00 0.00 H new ATOM 0 HE3 LYS A 864 13.089 12.227 10.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 864 10.794 12.351 10.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 864 11.542 13.690 9.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 864 11.106 12.345 8.583 1.00 0.00 H new ATOM 1032 N PRO A 865 16.050 8.639 5.583 1.00 0.00 N ATOM 1033 CA PRO A 865 16.893 7.443 5.489 1.00 0.00 C ATOM 1034 C PRO A 865 17.219 6.854 6.858 1.00 0.00 C ATOM 1035 O PRO A 865 17.389 5.644 6.999 1.00 0.00 O ATOM 1036 CB PRO A 865 18.165 7.958 4.812 1.00 0.00 C ATOM 1037 CG PRO A 865 18.211 9.409 5.146 1.00 0.00 C ATOM 1038 CD PRO A 865 16.780 9.864 5.215 1.00 0.00 C ATOM 0 HA PRO A 865 16.399 6.638 4.944 1.00 0.00 H new ATOM 0 HB2 PRO A 865 19.049 7.438 5.182 1.00 0.00 H new ATOM 0 HB3 PRO A 865 18.131 7.801 3.734 1.00 0.00 H new ATOM 0 HG2 PRO A 865 18.719 9.575 6.096 1.00 0.00 H new ATOM 0 HG3 PRO A 865 18.762 9.967 4.388 1.00 0.00 H new ATOM 0 HD2 PRO A 865 16.644 10.651 5.957 1.00 0.00 H new ATOM 0 HD3 PRO A 865 16.439 10.264 4.260 1.00 0.00 H new ATOM 1046 N ALA A 866 17.304 7.719 7.863 1.00 0.00 N ATOM 1047 CA ALA A 866 17.607 7.284 9.221 1.00 0.00 C ATOM 1048 C ALA A 866 16.485 6.417 9.783 1.00 0.00 C ATOM 1049 O ALA A 866 16.705 5.264 10.153 1.00 0.00 O ATOM 1050 CB ALA A 866 17.848 8.488 10.120 1.00 0.00 C ATOM 0 H ALA A 866 17.167 8.725 7.763 1.00 0.00 H new ATOM 0 HA ALA A 866 18.515 6.681 9.189 1.00 0.00 H new ATOM 0 HB1 ALA A 866 18.073 8.148 11.131 1.00 0.00 H new ATOM 0 HB2 ALA A 866 18.688 9.066 9.736 1.00 0.00 H new ATOM 0 HB3 ALA A 866 16.955 9.113 10.138 1.00 0.00 H new ATOM 1056 N ASP A 867 15.284 6.981 9.846 1.00 0.00 N ATOM 1057 CA ASP A 867 14.127 6.259 10.363 1.00 0.00 C ATOM 1058 C ASP A 867 13.916 4.953 9.602 1.00 0.00 C ATOM 1059 O ASP A 867 13.830 3.881 10.202 1.00 0.00 O ATOM 1060 CB ASP A 867 12.872 7.128 10.266 1.00 0.00 C ATOM 1061 CG ASP A 867 12.788 8.150 11.382 1.00 0.00 C ATOM 1062 OD1 ASP A 867 12.313 7.792 12.480 1.00 0.00 O ATOM 1063 OD2 ASP A 867 13.198 9.308 11.158 1.00 0.00 O ATOM 0 H ASP A 867 15.086 7.935 9.546 1.00 0.00 H new ATOM 0 HA ASP A 867 14.316 6.022 11.410 1.00 0.00 H new ATOM 0 HB2 ASP A 867 12.863 7.642 9.305 1.00 0.00 H new ATOM 0 HB3 ASP A 867 11.989 6.490 10.294 1.00 0.00 H new ATOM 1068 N LEU A 868 13.834 5.051 8.280 1.00 0.00 N ATOM 1069 CA LEU A 868 13.633 3.878 7.437 1.00 0.00 C ATOM 1070 C LEU A 868 14.664 2.799 7.751 1.00 0.00 C ATOM 1071 O LEU A 868 14.312 1.666 8.080 1.00 0.00 O ATOM 1072 CB LEU A 868 13.718 4.267 5.960 1.00 0.00 C ATOM 1073 CG LEU A 868 13.197 3.231 4.963 1.00 0.00 C ATOM 1074 CD1 LEU A 868 11.684 3.110 5.060 1.00 0.00 C ATOM 1075 CD2 LEU A 868 13.614 3.598 3.546 1.00 0.00 C ATOM 0 H LEU A 868 13.904 5.931 7.769 1.00 0.00 H new ATOM 0 HA LEU A 868 12.641 3.477 7.644 1.00 0.00 H new ATOM 0 HB2 LEU A 868 13.161 5.193 5.816 1.00 0.00 H new ATOM 0 HB3 LEU A 868 14.760 4.481 5.720 1.00 0.00 H new ATOM 0 HG LEU A 868 13.635 2.264 5.211 1.00 0.00 H new ATOM 0 HD11 LEU A 868 11.332 2.368 4.343 1.00 0.00 H new ATOM 0 HD12 LEU A 868 11.408 2.800 6.068 1.00 0.00 H new ATOM 0 HD13 LEU A 868 11.227 4.074 4.838 1.00 0.00 H new ATOM 0 HD21 LEU A 868 13.235 2.850 2.850 1.00 0.00 H new ATOM 0 HD22 LEU A 868 13.205 4.575 3.288 1.00 0.00 H new ATOM 0 HD23 LEU A 868 14.702 3.633 3.484 1.00 0.00 H new ATOM 1087 N LYS A 869 15.939 3.158 7.648 1.00 0.00 N ATOM 1088 CA LYS A 869 17.022 2.222 7.924 1.00 0.00 C ATOM 1089 C LYS A 869 16.732 1.408 9.181 1.00 0.00 C ATOM 1090 O LYS A 869 16.706 0.177 9.144 1.00 0.00 O ATOM 1091 CB LYS A 869 18.345 2.975 8.086 1.00 0.00 C ATOM 1092 CG LYS A 869 19.102 3.162 6.783 1.00 0.00 C ATOM 1093 CD LYS A 869 20.554 3.535 7.030 1.00 0.00 C ATOM 1094 CE LYS A 869 21.427 2.299 7.192 1.00 0.00 C ATOM 1095 NZ LYS A 869 21.209 1.636 8.508 1.00 0.00 N ATOM 0 H LYS A 869 16.248 4.091 7.375 1.00 0.00 H new ATOM 0 HA LYS A 869 17.100 1.537 7.079 1.00 0.00 H new ATOM 0 HB2 LYS A 869 18.145 3.953 8.524 1.00 0.00 H new ATOM 0 HB3 LYS A 869 18.978 2.434 8.789 1.00 0.00 H new ATOM 0 HG2 LYS A 869 19.056 2.243 6.199 1.00 0.00 H new ATOM 0 HG3 LYS A 869 18.621 3.940 6.190 1.00 0.00 H new ATOM 0 HD2 LYS A 869 20.923 4.136 6.199 1.00 0.00 H new ATOM 0 HD3 LYS A 869 20.625 4.152 7.926 1.00 0.00 H new ATOM 0 HE2 LYS A 869 21.211 1.594 6.390 1.00 0.00 H new ATOM 0 HE3 LYS A 869 22.476 2.580 7.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 869 22.076 1.137 8.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 869 20.971 2.353 9.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 869 20.428 0.954 8.428 1.00 0.00 H new ATOM 1109 N LYS A 870 16.511 2.102 10.292 1.00 0.00 N ATOM 1110 CA LYS A 870 16.219 1.444 11.560 1.00 0.00 C ATOM 1111 C LYS A 870 15.075 0.447 11.405 1.00 0.00 C ATOM 1112 O LYS A 870 15.211 -0.726 11.753 1.00 0.00 O ATOM 1113 CB LYS A 870 15.863 2.483 12.626 1.00 0.00 C ATOM 1114 CG LYS A 870 17.035 3.354 13.042 1.00 0.00 C ATOM 1115 CD LYS A 870 16.616 4.408 14.053 1.00 0.00 C ATOM 1116 CE LYS A 870 17.676 5.488 14.206 1.00 0.00 C ATOM 1117 NZ LYS A 870 17.661 6.445 13.065 1.00 0.00 N ATOM 0 H LYS A 870 16.529 3.121 10.340 1.00 0.00 H new ATOM 0 HA LYS A 870 17.111 0.901 11.873 1.00 0.00 H new ATOM 0 HB2 LYS A 870 15.064 3.120 12.247 1.00 0.00 H new ATOM 0 HB3 LYS A 870 15.472 1.970 13.505 1.00 0.00 H new ATOM 0 HG2 LYS A 870 17.819 2.730 13.470 1.00 0.00 H new ATOM 0 HG3 LYS A 870 17.458 3.840 12.163 1.00 0.00 H new ATOM 0 HD2 LYS A 870 15.676 4.862 13.739 1.00 0.00 H new ATOM 0 HD3 LYS A 870 16.435 3.936 15.018 1.00 0.00 H new ATOM 0 HE2 LYS A 870 17.510 6.030 15.137 1.00 0.00 H new ATOM 0 HE3 LYS A 870 18.660 5.024 14.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 870 18.314 7.230 13.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 870 17.960 5.956 12.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 870 16.699 6.818 12.938 1.00 0.00 H new ATOM 1131 N ARG A 871 13.950 0.920 10.879 1.00 0.00 N ATOM 1132 CA ARG A 871 12.784 0.069 10.677 1.00 0.00 C ATOM 1133 C ARG A 871 13.176 -1.238 9.995 1.00 0.00 C ATOM 1134 O ARG A 871 12.826 -2.322 10.463 1.00 0.00 O ATOM 1135 CB ARG A 871 11.733 0.799 9.839 1.00 0.00 C ATOM 1136 CG ARG A 871 11.317 2.142 10.416 1.00 0.00 C ATOM 1137 CD ARG A 871 10.137 1.999 11.365 1.00 0.00 C ATOM 1138 NE ARG A 871 10.558 1.612 12.708 1.00 0.00 N ATOM 1139 CZ ARG A 871 11.119 2.450 13.573 1.00 0.00 C ATOM 1140 NH1 ARG A 871 11.324 3.716 13.236 1.00 0.00 N ATOM 1141 NH2 ARG A 871 11.475 2.023 14.778 1.00 0.00 N ATOM 0 H ARG A 871 13.821 1.888 10.585 1.00 0.00 H new ATOM 0 HA ARG A 871 12.362 -0.164 11.655 1.00 0.00 H new ATOM 0 HB2 ARG A 871 12.125 0.951 8.833 1.00 0.00 H new ATOM 0 HB3 ARG A 871 10.851 0.165 9.745 1.00 0.00 H new ATOM 0 HG2 ARG A 871 12.159 2.588 10.945 1.00 0.00 H new ATOM 0 HG3 ARG A 871 11.053 2.822 9.606 1.00 0.00 H new ATOM 0 HD2 ARG A 871 9.594 2.943 11.413 1.00 0.00 H new ATOM 0 HD3 ARG A 871 9.445 1.253 10.973 1.00 0.00 H new ATOM 0 HE ARG A 871 10.414 0.645 12.998 1.00 0.00 H new ATOM 0 HH11 ARG A 871 11.051 4.048 12.311 1.00 0.00 H new ATOM 0 HH12 ARG A 871 11.755 4.358 13.902 1.00 0.00 H new ATOM 0 HH21 ARG A 871 11.318 1.050 15.041 1.00 0.00 H new ATOM 0 HH22 ARG A 871 11.906 2.668 15.441 1.00 0.00 H new ATOM 1155 N ILE A 872 13.903 -1.128 8.889 1.00 0.00 N ATOM 1156 CA ILE A 872 14.343 -2.301 8.144 1.00 0.00 C ATOM 1157 C ILE A 872 15.075 -3.285 9.050 1.00 0.00 C ATOM 1158 O ILE A 872 14.575 -4.373 9.333 1.00 0.00 O ATOM 1159 CB ILE A 872 15.267 -1.912 6.975 1.00 0.00 C ATOM 1160 CG1 ILE A 872 14.559 -0.927 6.043 1.00 0.00 C ATOM 1161 CG2 ILE A 872 15.705 -3.152 6.210 1.00 0.00 C ATOM 1162 CD1 ILE A 872 15.496 -0.212 5.095 1.00 0.00 C ATOM 0 H ILE A 872 14.200 -0.238 8.489 1.00 0.00 H new ATOM 0 HA ILE A 872 13.446 -2.776 7.745 1.00 0.00 H new ATOM 0 HB ILE A 872 16.155 -1.426 7.380 1.00 0.00 H new ATOM 0 HG12 ILE A 872 13.808 -1.464 5.463 1.00 0.00 H new ATOM 0 HG13 ILE A 872 14.029 -0.188 6.644 1.00 0.00 H new ATOM 0 HG21 ILE A 872 16.357 -2.860 5.387 1.00 0.00 H new ATOM 0 HG22 ILE A 872 16.244 -3.822 6.880 1.00 0.00 H new ATOM 0 HG23 ILE A 872 14.828 -3.664 5.814 1.00 0.00 H new ATOM 0 HD11 ILE A 872 14.925 0.470 4.465 1.00 0.00 H new ATOM 0 HD12 ILE A 872 16.232 0.353 5.668 1.00 0.00 H new ATOM 0 HD13 ILE A 872 16.007 -0.943 4.469 1.00 0.00 H new ATOM 1174 N GLU A 873 16.262 -2.893 9.503 1.00 0.00 N ATOM 1175 CA GLU A 873 17.063 -3.741 10.378 1.00 0.00 C ATOM 1176 C GLU A 873 16.183 -4.448 11.405 1.00 0.00 C ATOM 1177 O GLU A 873 16.231 -5.670 11.544 1.00 0.00 O ATOM 1178 CB GLU A 873 18.132 -2.911 11.092 1.00 0.00 C ATOM 1179 CG GLU A 873 19.400 -2.722 10.276 1.00 0.00 C ATOM 1180 CD GLU A 873 20.553 -2.190 11.106 1.00 0.00 C ATOM 1181 OE1 GLU A 873 21.047 -2.932 11.980 1.00 0.00 O ATOM 1182 OE2 GLU A 873 20.961 -1.032 10.880 1.00 0.00 O ATOM 0 H GLU A 873 16.690 -1.995 9.279 1.00 0.00 H new ATOM 0 HA GLU A 873 17.551 -4.496 9.762 1.00 0.00 H new ATOM 0 HB2 GLU A 873 17.718 -1.933 11.336 1.00 0.00 H new ATOM 0 HB3 GLU A 873 18.386 -3.394 12.035 1.00 0.00 H new ATOM 0 HG2 GLU A 873 19.687 -3.675 9.831 1.00 0.00 H new ATOM 0 HG3 GLU A 873 19.200 -2.034 9.455 1.00 0.00 H new ATOM 1189 N SER A 874 15.379 -3.669 12.123 1.00 0.00 N ATOM 1190 CA SER A 874 14.491 -4.218 13.140 1.00 0.00 C ATOM 1191 C SER A 874 13.714 -5.413 12.596 1.00 0.00 C ATOM 1192 O SER A 874 13.905 -6.547 13.039 1.00 0.00 O ATOM 1193 CB SER A 874 13.518 -3.144 13.632 1.00 0.00 C ATOM 1194 OG SER A 874 14.192 -2.154 14.389 1.00 0.00 O ATOM 0 H SER A 874 15.325 -2.656 12.019 1.00 0.00 H new ATOM 0 HA SER A 874 15.103 -4.555 13.977 1.00 0.00 H new ATOM 0 HB2 SER A 874 13.022 -2.680 12.779 1.00 0.00 H new ATOM 0 HB3 SER A 874 12.740 -3.605 14.241 1.00 0.00 H new ATOM 0 HG SER A 874 14.636 -1.525 13.783 1.00 0.00 H new ATOM 1200 N LEU A 875 12.837 -5.151 11.633 1.00 0.00 N ATOM 1201 CA LEU A 875 12.030 -6.204 11.026 1.00 0.00 C ATOM 1202 C LEU A 875 12.862 -7.462 10.794 1.00 0.00 C ATOM 1203 O LEU A 875 12.419 -8.573 11.086 1.00 0.00 O ATOM 1204 CB LEU A 875 11.436 -5.720 9.703 1.00 0.00 C ATOM 1205 CG LEU A 875 10.302 -4.700 9.810 1.00 0.00 C ATOM 1206 CD1 LEU A 875 10.114 -3.970 8.489 1.00 0.00 C ATOM 1207 CD2 LEU A 875 9.009 -5.383 10.232 1.00 0.00 C ATOM 0 H LEU A 875 12.667 -4.219 11.256 1.00 0.00 H new ATOM 0 HA LEU A 875 11.219 -6.448 11.713 1.00 0.00 H new ATOM 0 HB2 LEU A 875 12.237 -5.282 9.107 1.00 0.00 H new ATOM 0 HB3 LEU A 875 11.068 -6.587 9.154 1.00 0.00 H new ATOM 0 HG LEU A 875 10.569 -3.967 10.572 1.00 0.00 H new ATOM 0 HD11 LEU A 875 9.303 -3.248 8.584 1.00 0.00 H new ATOM 0 HD12 LEU A 875 11.035 -3.449 8.227 1.00 0.00 H new ATOM 0 HD13 LEU A 875 9.870 -4.689 7.707 1.00 0.00 H new ATOM 0 HD21 LEU A 875 8.213 -4.642 10.303 1.00 0.00 H new ATOM 0 HD22 LEU A 875 8.738 -6.137 9.493 1.00 0.00 H new ATOM 0 HD23 LEU A 875 9.149 -5.859 11.202 1.00 0.00 H new ATOM 1219 N ILE A 876 14.068 -7.278 10.268 1.00 0.00 N ATOM 1220 CA ILE A 876 14.962 -8.398 9.999 1.00 0.00 C ATOM 1221 C ILE A 876 15.253 -9.186 11.272 1.00 0.00 C ATOM 1222 O ILE A 876 15.340 -10.414 11.247 1.00 0.00 O ATOM 1223 CB ILE A 876 16.293 -7.921 9.389 1.00 0.00 C ATOM 1224 CG1 ILE A 876 16.032 -7.058 8.153 1.00 0.00 C ATOM 1225 CG2 ILE A 876 17.170 -9.113 9.033 1.00 0.00 C ATOM 1226 CD1 ILE A 876 17.295 -6.614 7.448 1.00 0.00 C ATOM 0 H ILE A 876 14.449 -6.365 10.020 1.00 0.00 H new ATOM 0 HA ILE A 876 14.454 -9.043 9.283 1.00 0.00 H new ATOM 0 HB ILE A 876 16.818 -7.316 10.128 1.00 0.00 H new ATOM 0 HG12 ILE A 876 15.413 -7.618 7.453 1.00 0.00 H new ATOM 0 HG13 ILE A 876 15.462 -6.177 8.449 1.00 0.00 H new ATOM 0 HG21 ILE A 876 18.107 -8.760 8.603 1.00 0.00 H new ATOM 0 HG22 ILE A 876 17.379 -9.692 9.932 1.00 0.00 H new ATOM 0 HG23 ILE A 876 16.653 -9.742 8.308 1.00 0.00 H new ATOM 0 HD11 ILE A 876 17.034 -6.006 6.582 1.00 0.00 H new ATOM 0 HD12 ILE A 876 17.906 -6.026 8.133 1.00 0.00 H new ATOM 0 HD13 ILE A 876 17.856 -7.489 7.121 1.00 0.00 H new ATOM 1238 N ASP A 877 15.401 -8.473 12.382 1.00 0.00 N ATOM 1239 CA ASP A 877 15.679 -9.106 13.667 1.00 0.00 C ATOM 1240 C ASP A 877 14.393 -9.612 14.313 1.00 0.00 C ATOM 1241 O ASP A 877 14.429 -10.431 15.231 1.00 0.00 O ATOM 1242 CB ASP A 877 16.382 -8.122 14.603 1.00 0.00 C ATOM 1243 CG ASP A 877 17.171 -8.821 15.692 1.00 0.00 C ATOM 1244 OD1 ASP A 877 17.826 -9.841 15.389 1.00 0.00 O ATOM 1245 OD2 ASP A 877 17.134 -8.349 16.847 1.00 0.00 O ATOM 0 H ASP A 877 15.333 -7.456 12.419 1.00 0.00 H new ATOM 0 HA ASP A 877 16.335 -9.958 13.490 1.00 0.00 H new ATOM 0 HB2 ASP A 877 17.053 -7.489 14.022 1.00 0.00 H new ATOM 0 HB3 ASP A 877 15.640 -7.467 15.060 1.00 0.00 H new ATOM 1250 N ARG A 878 13.259 -9.119 13.827 1.00 0.00 N ATOM 1251 CA ARG A 878 11.962 -9.519 14.359 1.00 0.00 C ATOM 1252 C ARG A 878 11.516 -10.850 13.760 1.00 0.00 C ATOM 1253 O ARG A 878 10.359 -11.248 13.897 1.00 0.00 O ATOM 1254 CB ARG A 878 10.914 -8.442 14.071 1.00 0.00 C ATOM 1255 CG ARG A 878 10.829 -7.372 15.146 1.00 0.00 C ATOM 1256 CD ARG A 878 11.937 -6.341 14.994 1.00 0.00 C ATOM 1257 NE ARG A 878 11.801 -5.247 15.952 1.00 0.00 N ATOM 1258 CZ ARG A 878 12.122 -5.351 17.237 1.00 0.00 C ATOM 1259 NH1 ARG A 878 12.596 -6.493 17.715 1.00 0.00 N ATOM 1260 NH2 ARG A 878 11.970 -4.310 18.046 1.00 0.00 N ATOM 0 H ARG A 878 13.212 -8.442 13.066 1.00 0.00 H new ATOM 0 HA ARG A 878 12.062 -9.640 15.438 1.00 0.00 H new ATOM 0 HB2 ARG A 878 11.145 -7.969 13.117 1.00 0.00 H new ATOM 0 HB3 ARG A 878 9.938 -8.916 13.964 1.00 0.00 H new ATOM 0 HG2 ARG A 878 9.860 -6.877 15.092 1.00 0.00 H new ATOM 0 HG3 ARG A 878 10.895 -7.837 16.130 1.00 0.00 H new ATOM 0 HD2 ARG A 878 12.904 -6.825 15.131 1.00 0.00 H new ATOM 0 HD3 ARG A 878 11.922 -5.940 13.981 1.00 0.00 H new ATOM 0 HE ARG A 878 11.440 -4.354 15.616 1.00 0.00 H new ATOM 0 HH11 ARG A 878 12.715 -7.295 17.096 1.00 0.00 H new ATOM 0 HH12 ARG A 878 12.842 -6.570 18.702 1.00 0.00 H new ATOM 0 HH21 ARG A 878 11.607 -3.429 17.681 1.00 0.00 H new ATOM 0 HH22 ARG A 878 12.217 -4.390 19.032 1.00 0.00 H new ATOM 1274 N ASP A 879 12.442 -11.534 13.097 1.00 0.00 N ATOM 1275 CA ASP A 879 12.146 -12.820 12.478 1.00 0.00 C ATOM 1276 C ASP A 879 11.197 -12.649 11.295 1.00 0.00 C ATOM 1277 O ASP A 879 10.257 -13.425 11.122 1.00 0.00 O ATOM 1278 CB ASP A 879 11.534 -13.775 13.504 1.00 0.00 C ATOM 1279 CG ASP A 879 12.280 -13.763 14.823 1.00 0.00 C ATOM 1280 OD1 ASP A 879 13.408 -14.297 14.871 1.00 0.00 O ATOM 1281 OD2 ASP A 879 11.736 -13.221 15.808 1.00 0.00 O ATOM 0 H ASP A 879 13.404 -11.219 12.975 1.00 0.00 H new ATOM 0 HA ASP A 879 13.082 -13.243 12.112 1.00 0.00 H new ATOM 0 HB2 ASP A 879 10.493 -13.500 13.676 1.00 0.00 H new ATOM 0 HB3 ASP A 879 11.534 -14.787 13.099 1.00 0.00 H new ATOM 1286 N TYR A 880 11.449 -11.627 10.485 1.00 0.00 N ATOM 1287 CA TYR A 880 10.616 -11.351 9.321 1.00 0.00 C ATOM 1288 C TYR A 880 11.434 -11.428 8.035 1.00 0.00 C ATOM 1289 O TYR A 880 10.912 -11.770 6.974 1.00 0.00 O ATOM 1290 CB TYR A 880 9.970 -9.970 9.445 1.00 0.00 C ATOM 1291 CG TYR A 880 8.789 -9.937 10.388 1.00 0.00 C ATOM 1292 CD1 TYR A 880 7.559 -10.464 10.011 1.00 0.00 C ATOM 1293 CD2 TYR A 880 8.902 -9.380 11.656 1.00 0.00 C ATOM 1294 CE1 TYR A 880 6.477 -10.435 10.869 1.00 0.00 C ATOM 1295 CE2 TYR A 880 7.825 -9.348 12.521 1.00 0.00 C ATOM 1296 CZ TYR A 880 6.615 -9.877 12.123 1.00 0.00 C ATOM 1297 OH TYR A 880 5.539 -9.848 12.981 1.00 0.00 O ATOM 0 H TYR A 880 12.224 -10.976 10.613 1.00 0.00 H new ATOM 0 HA TYR A 880 9.833 -12.108 9.279 1.00 0.00 H new ATOM 0 HB2 TYR A 880 10.719 -9.257 9.789 1.00 0.00 H new ATOM 0 HB3 TYR A 880 9.646 -9.640 8.458 1.00 0.00 H new ATOM 0 HD1 TYR A 880 7.448 -10.903 9.031 1.00 0.00 H new ATOM 0 HD2 TYR A 880 9.848 -8.965 11.971 1.00 0.00 H new ATOM 0 HE1 TYR A 880 5.528 -10.847 10.560 1.00 0.00 H new ATOM 0 HE2 TYR A 880 7.930 -8.911 13.503 1.00 0.00 H new ATOM 0 HH TYR A 880 5.804 -9.423 13.823 1.00 0.00 H new ATOM 1307 N MET A 881 12.719 -11.108 8.139 1.00 0.00 N ATOM 1308 CA MET A 881 13.611 -11.142 6.985 1.00 0.00 C ATOM 1309 C MET A 881 15.020 -11.554 7.399 1.00 0.00 C ATOM 1310 O MET A 881 15.443 -11.303 8.527 1.00 0.00 O ATOM 1311 CB MET A 881 13.647 -9.775 6.300 1.00 0.00 C ATOM 1312 CG MET A 881 12.277 -9.273 5.872 1.00 0.00 C ATOM 1313 SD MET A 881 11.535 -10.295 4.585 1.00 0.00 S ATOM 1314 CE MET A 881 12.647 -9.978 3.217 1.00 0.00 C ATOM 0 H MET A 881 13.167 -10.822 9.010 1.00 0.00 H new ATOM 0 HA MET A 881 13.227 -11.882 6.282 1.00 0.00 H new ATOM 0 HB2 MET A 881 14.095 -9.049 6.979 1.00 0.00 H new ATOM 0 HB3 MET A 881 14.293 -9.834 5.424 1.00 0.00 H new ATOM 0 HG2 MET A 881 11.616 -9.249 6.738 1.00 0.00 H new ATOM 0 HG3 MET A 881 12.366 -8.248 5.511 1.00 0.00 H new ATOM 0 HE1 MET A 881 12.330 -10.555 2.349 1.00 0.00 H new ATOM 0 HE2 MET A 881 12.630 -8.916 2.973 1.00 0.00 H new ATOM 0 HE3 MET A 881 13.660 -10.269 3.496 1.00 0.00 H new ATOM 1324 N GLU A 882 15.741 -12.187 6.479 1.00 0.00 N ATOM 1325 CA GLU A 882 17.102 -12.634 6.751 1.00 0.00 C ATOM 1326 C GLU A 882 18.077 -12.065 5.724 1.00 0.00 C ATOM 1327 O GLU A 882 17.765 -11.983 4.536 1.00 0.00 O ATOM 1328 CB GLU A 882 17.172 -14.163 6.745 1.00 0.00 C ATOM 1329 CG GLU A 882 16.880 -14.779 5.387 1.00 0.00 C ATOM 1330 CD GLU A 882 17.184 -16.264 5.344 1.00 0.00 C ATOM 1331 OE1 GLU A 882 16.718 -16.991 6.246 1.00 0.00 O ATOM 1332 OE2 GLU A 882 17.886 -16.699 4.408 1.00 0.00 O ATOM 0 H GLU A 882 15.406 -12.402 5.540 1.00 0.00 H new ATOM 0 HA GLU A 882 17.386 -12.269 7.738 1.00 0.00 H new ATOM 0 HB2 GLU A 882 18.165 -14.474 7.070 1.00 0.00 H new ATOM 0 HB3 GLU A 882 16.461 -14.554 7.473 1.00 0.00 H new ATOM 0 HG2 GLU A 882 15.831 -14.619 5.137 1.00 0.00 H new ATOM 0 HG3 GLU A 882 17.470 -14.269 4.626 1.00 0.00 H new ATOM 1339 N ARG A 883 19.258 -11.673 6.191 1.00 0.00 N ATOM 1340 CA ARG A 883 20.278 -11.111 5.315 1.00 0.00 C ATOM 1341 C ARG A 883 20.977 -12.209 4.519 1.00 0.00 C ATOM 1342 O ARG A 883 21.147 -13.328 5.003 1.00 0.00 O ATOM 1343 CB ARG A 883 21.306 -10.325 6.132 1.00 0.00 C ATOM 1344 CG ARG A 883 20.836 -8.934 6.525 1.00 0.00 C ATOM 1345 CD ARG A 883 21.919 -8.172 7.274 1.00 0.00 C ATOM 1346 NE ARG A 883 22.130 -8.702 8.618 1.00 0.00 N ATOM 1347 CZ ARG A 883 22.928 -9.730 8.886 1.00 0.00 C ATOM 1348 NH1 ARG A 883 23.586 -10.335 7.907 1.00 0.00 N ATOM 1349 NH2 ARG A 883 23.069 -10.154 10.135 1.00 0.00 N ATOM 0 H ARG A 883 19.532 -11.735 7.172 1.00 0.00 H new ATOM 0 HA ARG A 883 19.787 -10.435 4.615 1.00 0.00 H new ATOM 0 HB2 ARG A 883 21.547 -10.887 7.035 1.00 0.00 H new ATOM 0 HB3 ARG A 883 22.227 -10.239 5.555 1.00 0.00 H new ATOM 0 HG2 ARG A 883 20.551 -8.379 5.631 1.00 0.00 H new ATOM 0 HG3 ARG A 883 19.946 -9.012 7.150 1.00 0.00 H new ATOM 0 HD2 ARG A 883 22.852 -8.223 6.713 1.00 0.00 H new ATOM 0 HD3 ARG A 883 21.643 -7.119 7.338 1.00 0.00 H new ATOM 0 HE ARG A 883 21.638 -8.259 9.394 1.00 0.00 H new ATOM 0 HH11 ARG A 883 23.480 -10.012 6.945 1.00 0.00 H new ATOM 0 HH12 ARG A 883 24.198 -11.124 8.115 1.00 0.00 H new ATOM 0 HH21 ARG A 883 22.565 -9.691 10.891 1.00 0.00 H new ATOM 0 HH22 ARG A 883 23.682 -10.943 10.340 1.00 0.00 H new ATOM 1363 N ASP A 884 21.379 -11.881 3.296 1.00 0.00 N ATOM 1364 CA ASP A 884 22.060 -12.839 2.433 1.00 0.00 C ATOM 1365 C ASP A 884 23.549 -12.903 2.760 1.00 0.00 C ATOM 1366 O ASP A 884 24.245 -11.888 2.736 1.00 0.00 O ATOM 1367 CB ASP A 884 21.864 -12.462 0.963 1.00 0.00 C ATOM 1368 CG ASP A 884 22.154 -13.618 0.026 1.00 0.00 C ATOM 1369 OD1 ASP A 884 23.249 -14.209 0.134 1.00 0.00 O ATOM 1370 OD2 ASP A 884 21.286 -13.932 -0.815 1.00 0.00 O ATOM 0 H ASP A 884 21.245 -10.959 2.880 1.00 0.00 H new ATOM 0 HA ASP A 884 21.625 -13.823 2.609 1.00 0.00 H new ATOM 0 HB2 ASP A 884 20.839 -12.123 0.811 1.00 0.00 H new ATOM 0 HB3 ASP A 884 22.516 -11.625 0.715 1.00 0.00 H new ATOM 1375 N LYS A 885 24.031 -14.103 3.067 1.00 0.00 N ATOM 1376 CA LYS A 885 25.436 -14.301 3.399 1.00 0.00 C ATOM 1377 C LYS A 885 26.338 -13.580 2.402 1.00 0.00 C ATOM 1378 O LYS A 885 27.428 -13.128 2.752 1.00 0.00 O ATOM 1379 CB LYS A 885 25.771 -15.794 3.419 1.00 0.00 C ATOM 1380 CG LYS A 885 25.452 -16.471 4.741 1.00 0.00 C ATOM 1381 CD LYS A 885 26.451 -16.088 5.819 1.00 0.00 C ATOM 1382 CE LYS A 885 27.745 -16.876 5.686 1.00 0.00 C ATOM 1383 NZ LYS A 885 27.619 -18.249 6.248 1.00 0.00 N ATOM 0 H LYS A 885 23.468 -14.953 3.093 1.00 0.00 H new ATOM 0 HA LYS A 885 25.612 -13.882 4.390 1.00 0.00 H new ATOM 0 HB2 LYS A 885 25.219 -16.293 2.622 1.00 0.00 H new ATOM 0 HB3 LYS A 885 26.831 -15.923 3.201 1.00 0.00 H new ATOM 0 HG2 LYS A 885 24.447 -16.193 5.060 1.00 0.00 H new ATOM 0 HG3 LYS A 885 25.457 -17.553 4.607 1.00 0.00 H new ATOM 0 HD2 LYS A 885 26.665 -15.021 5.755 1.00 0.00 H new ATOM 0 HD3 LYS A 885 26.014 -16.267 6.801 1.00 0.00 H new ATOM 0 HE2 LYS A 885 28.026 -16.938 4.635 1.00 0.00 H new ATOM 0 HE3 LYS A 885 28.547 -16.346 6.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 885 28.522 -18.753 6.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 885 27.376 -18.190 7.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 885 26.871 -18.764 5.742 1.00 0.00 H new ATOM 1397 N GLU A 886 25.875 -13.476 1.160 1.00 0.00 N ATOM 1398 CA GLU A 886 26.641 -12.809 0.113 1.00 0.00 C ATOM 1399 C GLU A 886 26.842 -11.333 0.443 1.00 0.00 C ATOM 1400 O GLU A 886 27.941 -10.798 0.302 1.00 0.00 O ATOM 1401 CB GLU A 886 25.934 -12.951 -1.236 1.00 0.00 C ATOM 1402 CG GLU A 886 24.888 -11.878 -1.490 1.00 0.00 C ATOM 1403 CD GLU A 886 24.352 -11.910 -2.908 1.00 0.00 C ATOM 1404 OE1 GLU A 886 25.103 -11.543 -3.835 1.00 0.00 O ATOM 1405 OE2 GLU A 886 23.181 -12.304 -3.090 1.00 0.00 O ATOM 0 H GLU A 886 24.974 -13.845 0.854 1.00 0.00 H new ATOM 0 HA GLU A 886 27.619 -13.286 0.053 1.00 0.00 H new ATOM 0 HB2 GLU A 886 26.678 -12.917 -2.032 1.00 0.00 H new ATOM 0 HB3 GLU A 886 25.458 -13.930 -1.286 1.00 0.00 H new ATOM 0 HG2 GLU A 886 24.062 -12.008 -0.790 1.00 0.00 H new ATOM 0 HG3 GLU A 886 25.322 -10.898 -1.292 1.00 0.00 H new ATOM 1412 N ASN A 887 25.770 -10.680 0.881 1.00 0.00 N ATOM 1413 CA ASN A 887 25.827 -9.265 1.230 1.00 0.00 C ATOM 1414 C ASN A 887 24.638 -8.870 2.100 1.00 0.00 C ATOM 1415 O ASN A 887 23.519 -9.353 1.922 1.00 0.00 O ATOM 1416 CB ASN A 887 25.853 -8.407 -0.037 1.00 0.00 C ATOM 1417 CG ASN A 887 27.207 -8.425 -0.720 1.00 0.00 C ATOM 1418 OD1 ASN A 887 28.260 -8.161 0.045 1.00 0.00 O flip ATOM 1419 ND2 ASN A 887 27.305 -8.674 -1.922 1.00 0.00 N flip ATOM 0 H ASN A 887 24.852 -11.108 1.003 1.00 0.00 H new ATOM 0 HA ASN A 887 26.742 -9.093 1.797 1.00 0.00 H new ATOM 0 HB2 ASN A 887 25.094 -8.767 -0.732 1.00 0.00 H new ATOM 0 HB3 ASN A 887 25.591 -7.380 0.218 1.00 0.00 H new ATOM 0 HD21 ASN A 887 26.469 -8.871 -2.472 1.00 0.00 H new ATOM 0 HD22 ASN A 887 28.222 -8.683 -2.368 1.00 0.00 H new ATOM 1426 N PRO A 888 24.883 -7.971 3.065 1.00 0.00 N ATOM 1427 CA PRO A 888 23.845 -7.491 3.982 1.00 0.00 C ATOM 1428 C PRO A 888 22.819 -6.606 3.283 1.00 0.00 C ATOM 1429 O PRO A 888 21.747 -6.337 3.824 1.00 0.00 O ATOM 1430 CB PRO A 888 24.632 -6.682 5.016 1.00 0.00 C ATOM 1431 CG PRO A 888 25.865 -6.249 4.301 1.00 0.00 C ATOM 1432 CD PRO A 888 26.193 -7.354 3.335 1.00 0.00 C ATOM 0 HA PRO A 888 23.269 -8.311 4.411 1.00 0.00 H new ATOM 0 HB2 PRO A 888 24.058 -5.825 5.369 1.00 0.00 H new ATOM 0 HB3 PRO A 888 24.873 -7.286 5.891 1.00 0.00 H new ATOM 0 HG2 PRO A 888 25.702 -5.308 3.776 1.00 0.00 H new ATOM 0 HG3 PRO A 888 26.685 -6.086 5.000 1.00 0.00 H new ATOM 0 HD2 PRO A 888 26.651 -6.969 2.424 1.00 0.00 H new ATOM 0 HD3 PRO A 888 26.893 -8.070 3.766 1.00 0.00 H new ATOM 1440 N ASN A 889 23.154 -6.158 2.077 1.00 0.00 N ATOM 1441 CA ASN A 889 22.260 -5.303 1.304 1.00 0.00 C ATOM 1442 C ASN A 889 21.067 -6.096 0.780 1.00 0.00 C ATOM 1443 O ASN A 889 20.030 -5.526 0.443 1.00 0.00 O ATOM 1444 CB ASN A 889 23.015 -4.664 0.137 1.00 0.00 C ATOM 1445 CG ASN A 889 24.061 -3.668 0.600 1.00 0.00 C ATOM 1446 OD1 ASN A 889 24.042 -3.219 1.746 1.00 0.00 O ATOM 1447 ND2 ASN A 889 24.981 -3.319 -0.291 1.00 0.00 N ATOM 0 H ASN A 889 24.037 -6.373 1.614 1.00 0.00 H new ATOM 0 HA ASN A 889 21.890 -4.517 1.962 1.00 0.00 H new ATOM 0 HB2 ASN A 889 23.496 -5.445 -0.452 1.00 0.00 H new ATOM 0 HB3 ASN A 889 22.305 -4.162 -0.520 1.00 0.00 H new ATOM 0 HD21 ASN A 889 25.711 -2.653 -0.037 1.00 0.00 H new ATOM 0 HD22 ASN A 889 24.958 -3.717 -1.230 1.00 0.00 H new ATOM 1454 N GLN A 890 21.223 -7.415 0.713 1.00 0.00 N ATOM 1455 CA GLN A 890 20.159 -8.286 0.230 1.00 0.00 C ATOM 1456 C GLN A 890 19.446 -8.970 1.391 1.00 0.00 C ATOM 1457 O GLN A 890 20.071 -9.340 2.385 1.00 0.00 O ATOM 1458 CB GLN A 890 20.726 -9.336 -0.727 1.00 0.00 C ATOM 1459 CG GLN A 890 19.700 -10.362 -1.181 1.00 0.00 C ATOM 1460 CD GLN A 890 20.050 -10.984 -2.519 1.00 0.00 C ATOM 1461 OE1 GLN A 890 20.863 -11.906 -2.594 1.00 0.00 O ATOM 1462 NE2 GLN A 890 19.436 -10.482 -3.584 1.00 0.00 N ATOM 0 H GLN A 890 22.076 -7.903 0.987 1.00 0.00 H new ATOM 0 HA GLN A 890 19.435 -7.671 -0.305 1.00 0.00 H new ATOM 0 HB2 GLN A 890 21.137 -8.833 -1.603 1.00 0.00 H new ATOM 0 HB3 GLN A 890 21.552 -9.852 -0.239 1.00 0.00 H new ATOM 0 HG2 GLN A 890 19.620 -11.147 -0.429 1.00 0.00 H new ATOM 0 HG3 GLN A 890 18.722 -9.886 -1.250 1.00 0.00 H new ATOM 0 HE21 GLN A 890 18.769 -9.718 -3.475 1.00 0.00 H new ATOM 0 HE22 GLN A 890 19.631 -10.861 -4.511 1.00 0.00 H new ATOM 1471 N TYR A 891 18.134 -9.135 1.259 1.00 0.00 N ATOM 1472 CA TYR A 891 17.335 -9.773 2.298 1.00 0.00 C ATOM 1473 C TYR A 891 16.366 -10.786 1.697 1.00 0.00 C ATOM 1474 O TYR A 891 15.951 -10.656 0.546 1.00 0.00 O ATOM 1475 CB TYR A 891 16.562 -8.720 3.094 1.00 0.00 C ATOM 1476 CG TYR A 891 17.375 -7.487 3.418 1.00 0.00 C ATOM 1477 CD1 TYR A 891 18.428 -7.544 4.322 1.00 0.00 C ATOM 1478 CD2 TYR A 891 17.090 -6.266 2.819 1.00 0.00 C ATOM 1479 CE1 TYR A 891 19.173 -6.419 4.621 1.00 0.00 C ATOM 1480 CE2 TYR A 891 17.830 -5.137 3.111 1.00 0.00 C ATOM 1481 CZ TYR A 891 18.871 -5.219 4.013 1.00 0.00 C ATOM 1482 OH TYR A 891 19.611 -4.097 4.308 1.00 0.00 O ATOM 0 H TYR A 891 17.602 -8.835 0.442 1.00 0.00 H new ATOM 0 HA TYR A 891 18.013 -10.301 2.969 1.00 0.00 H new ATOM 0 HB2 TYR A 891 15.679 -8.424 2.527 1.00 0.00 H new ATOM 0 HB3 TYR A 891 16.209 -9.167 4.024 1.00 0.00 H new ATOM 0 HD1 TYR A 891 18.668 -8.483 4.799 1.00 0.00 H new ATOM 0 HD2 TYR A 891 16.276 -6.199 2.113 1.00 0.00 H new ATOM 0 HE1 TYR A 891 19.988 -6.480 5.327 1.00 0.00 H new ATOM 0 HE2 TYR A 891 17.595 -4.196 2.636 1.00 0.00 H new ATOM 0 HH TYR A 891 20.563 -4.329 4.330 1.00 0.00 H new ATOM 1492 N ASN A 892 16.009 -11.794 2.485 1.00 0.00 N ATOM 1493 CA ASN A 892 15.089 -12.831 2.032 1.00 0.00 C ATOM 1494 C ASN A 892 13.847 -12.880 2.916 1.00 0.00 C ATOM 1495 O ASN A 892 13.828 -12.316 4.011 1.00 0.00 O ATOM 1496 CB ASN A 892 15.783 -14.194 2.032 1.00 0.00 C ATOM 1497 CG ASN A 892 17.061 -14.192 1.216 1.00 0.00 C ATOM 1498 OD1 ASN A 892 17.054 -14.517 0.029 1.00 0.00 O ATOM 1499 ND2 ASN A 892 18.168 -13.825 1.852 1.00 0.00 N ATOM 0 H ASN A 892 16.343 -11.915 3.441 1.00 0.00 H new ATOM 0 HA ASN A 892 14.780 -12.589 1.015 1.00 0.00 H new ATOM 0 HB2 ASN A 892 16.011 -14.483 3.058 1.00 0.00 H new ATOM 0 HB3 ASN A 892 15.102 -14.946 1.633 1.00 0.00 H new ATOM 0 HD21 ASN A 892 19.059 -13.805 1.355 1.00 0.00 H new ATOM 0 HD22 ASN A 892 18.127 -13.563 2.837 1.00 0.00 H new ATOM 1506 N TYR A 893 12.811 -13.558 2.435 1.00 0.00 N ATOM 1507 CA TYR A 893 11.564 -13.680 3.181 1.00 0.00 C ATOM 1508 C TYR A 893 11.563 -14.941 4.039 1.00 0.00 C ATOM 1509 O TYR A 893 11.701 -16.053 3.527 1.00 0.00 O ATOM 1510 CB TYR A 893 10.372 -13.701 2.222 1.00 0.00 C ATOM 1511 CG TYR A 893 9.032 -13.735 2.922 1.00 0.00 C ATOM 1512 CD1 TYR A 893 8.631 -12.690 3.745 1.00 0.00 C ATOM 1513 CD2 TYR A 893 8.169 -14.811 2.761 1.00 0.00 C ATOM 1514 CE1 TYR A 893 7.408 -12.716 4.388 1.00 0.00 C ATOM 1515 CE2 TYR A 893 6.944 -14.845 3.398 1.00 0.00 C ATOM 1516 CZ TYR A 893 6.568 -13.796 4.211 1.00 0.00 C ATOM 1517 OH TYR A 893 5.349 -13.827 4.848 1.00 0.00 O ATOM 0 H TYR A 893 12.810 -14.032 1.532 1.00 0.00 H new ATOM 0 HA TYR A 893 11.478 -12.815 3.839 1.00 0.00 H new ATOM 0 HB2 TYR A 893 10.416 -12.820 1.582 1.00 0.00 H new ATOM 0 HB3 TYR A 893 10.455 -14.572 1.572 1.00 0.00 H new ATOM 0 HD1 TYR A 893 9.286 -11.843 3.885 1.00 0.00 H new ATOM 0 HD2 TYR A 893 8.461 -15.635 2.127 1.00 0.00 H new ATOM 0 HE1 TYR A 893 7.112 -11.896 5.025 1.00 0.00 H new ATOM 0 HE2 TYR A 893 6.284 -15.689 3.260 1.00 0.00 H new ATOM 0 HH TYR A 893 4.880 -14.656 4.617 1.00 0.00 H new ATOM 1527 N ILE A 894 11.407 -14.760 5.346 1.00 0.00 N ATOM 1528 CA ILE A 894 11.386 -15.882 6.275 1.00 0.00 C ATOM 1529 C ILE A 894 10.030 -16.003 6.961 1.00 0.00 C ATOM 1530 O ILE A 894 9.509 -17.104 7.141 1.00 0.00 O ATOM 1531 CB ILE A 894 12.481 -15.744 7.349 1.00 0.00 C ATOM 1532 CG1 ILE A 894 12.497 -14.322 7.913 1.00 0.00 C ATOM 1533 CG2 ILE A 894 13.841 -16.104 6.769 1.00 0.00 C ATOM 1534 CD1 ILE A 894 13.548 -14.105 8.978 1.00 0.00 C ATOM 0 H ILE A 894 11.293 -13.846 5.785 1.00 0.00 H new ATOM 0 HA ILE A 894 11.575 -16.781 5.688 1.00 0.00 H new ATOM 0 HB ILE A 894 12.260 -16.435 8.162 1.00 0.00 H new ATOM 0 HG12 ILE A 894 12.667 -13.619 7.098 1.00 0.00 H new ATOM 0 HG13 ILE A 894 11.516 -14.095 8.331 1.00 0.00 H new ATOM 0 HG21 ILE A 894 14.604 -16.001 7.540 1.00 0.00 H new ATOM 0 HG22 ILE A 894 13.823 -17.133 6.411 1.00 0.00 H new ATOM 0 HG23 ILE A 894 14.071 -15.435 5.940 1.00 0.00 H new ATOM 0 HD11 ILE A 894 13.501 -13.075 9.331 1.00 0.00 H new ATOM 0 HD12 ILE A 894 13.367 -14.783 9.812 1.00 0.00 H new ATOM 0 HD13 ILE A 894 14.535 -14.300 8.560 1.00 0.00 H new ATOM 1546 N ALA A 895 9.461 -14.863 7.341 1.00 0.00 N ATOM 1547 CA ALA A 895 8.163 -14.841 8.003 1.00 0.00 C ATOM 1548 C ALA A 895 7.246 -15.927 7.451 1.00 0.00 C ATOM 1549 O ALA A 895 7.271 -16.227 6.257 1.00 0.00 O ATOM 1550 CB ALA A 895 7.516 -13.473 7.849 1.00 0.00 C ATOM 0 H ALA A 895 9.879 -13.943 7.201 1.00 0.00 H new ATOM 0 HA ALA A 895 8.320 -15.040 9.063 1.00 0.00 H new ATOM 0 HB1 ALA A 895 6.547 -13.471 8.348 1.00 0.00 H new ATOM 0 HB2 ALA A 895 8.157 -12.715 8.298 1.00 0.00 H new ATOM 0 HB3 ALA A 895 7.379 -13.252 6.790 1.00 0.00 H new