USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 594 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 848 HIS : no HE2:sc= -1.88 K(o=-1.9,f=-2.8!) USER MOD Set 1.2: A 891 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 840 MET CE :methyl -148:sc= -1.81! (180deg=-1.29) USER MOD Set 2.2: A 881 MET CE :methyl -128:sc= -1.94 (180deg=-1.69) USER MOD Set 3.1: A 845 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 892 ASN : amide:sc= -0.164 X(o=-0.16,f=-0.39) USER MOD Set 4.1: A 841 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.363) USER MOD Set 4.2: A 842 MET CE :methyl 144:sc= -0.345 (180deg=-0.966) 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= -0.384 X(o=-0.38,f=-0.33) USER MOD Single : A 844 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 847 SER OG : rot 170:sc= -0.115 USER MOD Single : A 849 ASN : amide:sc= -1.35! C(o=-1.4!,f=-4.2!) USER MOD Single : A 853 SER OG : rot 180:sc= 0 USER MOD Single : A 856 TYR OH : rot 180:sc= -2.83! USER MOD Single : A 857 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 858 GLN : amide:sc= -0.353 X(o=-0.35,f=-0.33) USER MOD Single : A 860 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 864 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0415) USER MOD Single : A 869 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 870 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 874 SER OG : rot 180:sc= 0 USER MOD Single : A 880 TYR OH : rot 180:sc= 0 USER MOD Single : A 885 LYS NZ :NH3+ -178:sc= 0.0187 (180deg=0.0181) USER MOD Single : A 887 ASN : amide:sc= -2.55! C(o=-2.6!,f=-3.8!) USER MOD Single : A 889 ASN : amide:sc= -0.0118 K(o=-0.012,f=-1.3) USER MOD Single : A 890 GLN :FLIP amide:sc= -3.24 F(o=-5.2!,f=-3.2) USER MOD Single : A 893 TYR OH : rot -107:sc= 0.989 USER MOD ----------------------------------------------------------------- ATOM 386 N ARG A 828 2.649 6.318 11.954 1.00 0.00 N ATOM 387 CA ARG A 828 3.792 6.455 11.059 1.00 0.00 C ATOM 388 C ARG A 828 4.579 5.150 10.979 1.00 0.00 C ATOM 389 O ARG A 828 4.575 4.474 9.951 1.00 0.00 O ATOM 390 CB ARG A 828 4.706 7.586 11.533 1.00 0.00 C ATOM 391 CG ARG A 828 4.074 8.965 11.426 1.00 0.00 C ATOM 392 CD ARG A 828 4.132 9.494 10.001 1.00 0.00 C ATOM 393 NE ARG A 828 5.496 9.818 9.593 1.00 0.00 N ATOM 394 CZ ARG A 828 6.161 10.882 10.028 1.00 0.00 C ATOM 395 NH1 ARG A 828 5.590 11.721 10.881 1.00 0.00 N ATOM 396 NH2 ARG A 828 7.400 11.109 9.610 1.00 0.00 N ATOM 0 HA ARG A 828 3.416 6.694 10.064 1.00 0.00 H new ATOM 0 HB2 ARG A 828 4.987 7.404 12.570 1.00 0.00 H new ATOM 0 HB3 ARG A 828 5.624 7.570 10.946 1.00 0.00 H new ATOM 0 HG2 ARG A 828 3.036 8.918 11.756 1.00 0.00 H new ATOM 0 HG3 ARG A 828 4.590 9.656 12.093 1.00 0.00 H new ATOM 0 HD2 ARG A 828 3.717 8.750 9.321 1.00 0.00 H new ATOM 0 HD3 ARG A 828 3.508 10.384 9.919 1.00 0.00 H new ATOM 0 HE ARG A 828 5.964 9.192 8.937 1.00 0.00 H new ATOM 0 HH11 ARG A 828 4.638 11.550 11.205 1.00 0.00 H new ATOM 0 HH12 ARG A 828 6.103 12.538 11.214 1.00 0.00 H new ATOM 0 HH21 ARG A 828 7.843 10.466 8.954 1.00 0.00 H new ATOM 0 HH22 ARG A 828 7.909 11.927 9.945 1.00 0.00 H new ATOM 410 N GLN A 829 5.254 4.804 12.071 1.00 0.00 N ATOM 411 CA GLN A 829 6.046 3.581 12.123 1.00 0.00 C ATOM 412 C GLN A 829 5.329 2.437 11.415 1.00 0.00 C ATOM 413 O GLN A 829 5.957 1.619 10.742 1.00 0.00 O ATOM 414 CB GLN A 829 6.335 3.197 13.576 1.00 0.00 C ATOM 415 CG GLN A 829 5.095 2.785 14.353 1.00 0.00 C ATOM 416 CD GLN A 829 5.429 2.116 15.672 1.00 0.00 C ATOM 417 OE1 GLN A 829 5.305 0.899 15.813 1.00 0.00 O ATOM 418 NE2 GLN A 829 5.857 2.910 16.647 1.00 0.00 N ATOM 0 H GLN A 829 5.268 5.353 12.931 1.00 0.00 H new ATOM 0 HA GLN A 829 6.989 3.767 11.609 1.00 0.00 H new ATOM 0 HB2 GLN A 829 7.052 2.377 13.591 1.00 0.00 H new ATOM 0 HB3 GLN A 829 6.806 4.041 14.080 1.00 0.00 H new ATOM 0 HG2 GLN A 829 4.480 3.665 14.542 1.00 0.00 H new ATOM 0 HG3 GLN A 829 4.499 2.104 13.745 1.00 0.00 H new ATOM 0 HE21 GLN A 829 5.945 3.913 16.486 1.00 0.00 H new ATOM 0 HE22 GLN A 829 6.098 2.516 17.557 1.00 0.00 H new ATOM 427 N TYR A 830 4.011 2.385 11.571 1.00 0.00 N ATOM 428 CA TYR A 830 3.208 1.339 10.948 1.00 0.00 C ATOM 429 C TYR A 830 3.200 1.489 9.430 1.00 0.00 C ATOM 430 O TYR A 830 3.330 0.508 8.699 1.00 0.00 O ATOM 431 CB TYR A 830 1.776 1.379 11.484 1.00 0.00 C ATOM 432 CG TYR A 830 1.620 0.735 12.843 1.00 0.00 C ATOM 433 CD1 TYR A 830 2.200 -0.496 13.121 1.00 0.00 C ATOM 434 CD2 TYR A 830 0.891 1.358 13.849 1.00 0.00 C ATOM 435 CE1 TYR A 830 2.059 -1.089 14.361 1.00 0.00 C ATOM 436 CE2 TYR A 830 0.746 0.774 15.092 1.00 0.00 C ATOM 437 CZ TYR A 830 1.331 -0.450 15.343 1.00 0.00 C ATOM 438 OH TYR A 830 1.188 -1.036 16.580 1.00 0.00 O ATOM 0 H TYR A 830 3.476 3.055 12.123 1.00 0.00 H new ATOM 0 HA TYR A 830 3.655 0.376 11.197 1.00 0.00 H new ATOM 0 HB2 TYR A 830 1.448 2.417 11.543 1.00 0.00 H new ATOM 0 HB3 TYR A 830 1.118 0.877 10.775 1.00 0.00 H new ATOM 0 HD1 TYR A 830 2.771 -0.999 12.354 1.00 0.00 H new ATOM 0 HD2 TYR A 830 0.430 2.315 13.655 1.00 0.00 H new ATOM 0 HE1 TYR A 830 2.516 -2.047 14.560 1.00 0.00 H new ATOM 0 HE2 TYR A 830 0.178 1.273 15.863 1.00 0.00 H new ATOM 0 HH TYR A 830 0.648 -0.456 17.156 1.00 0.00 H new ATOM 448 N GLN A 831 3.047 2.725 8.965 1.00 0.00 N ATOM 449 CA GLN A 831 3.022 3.004 7.535 1.00 0.00 C ATOM 450 C GLN A 831 4.295 2.505 6.860 1.00 0.00 C ATOM 451 O GLN A 831 4.240 1.827 5.833 1.00 0.00 O ATOM 452 CB GLN A 831 2.856 4.505 7.290 1.00 0.00 C ATOM 453 CG GLN A 831 1.456 5.019 7.585 1.00 0.00 C ATOM 454 CD GLN A 831 0.388 4.283 6.800 1.00 0.00 C ATOM 455 OE1 GLN A 831 0.164 4.563 5.622 1.00 0.00 O ATOM 456 NE2 GLN A 831 -0.279 3.337 7.450 1.00 0.00 N ATOM 0 H GLN A 831 2.939 3.548 9.558 1.00 0.00 H new ATOM 0 HA GLN A 831 2.172 2.476 7.102 1.00 0.00 H new ATOM 0 HB2 GLN A 831 3.571 5.047 7.909 1.00 0.00 H new ATOM 0 HB3 GLN A 831 3.103 4.725 6.251 1.00 0.00 H new ATOM 0 HG2 GLN A 831 1.253 4.918 8.651 1.00 0.00 H new ATOM 0 HG3 GLN A 831 1.406 6.082 7.351 1.00 0.00 H new ATOM 0 HE21 GLN A 831 -0.060 3.138 8.426 1.00 0.00 H new ATOM 0 HE22 GLN A 831 -1.010 2.809 6.973 1.00 0.00 H new ATOM 465 N ILE A 832 5.440 2.844 7.443 1.00 0.00 N ATOM 466 CA ILE A 832 6.727 2.429 6.897 1.00 0.00 C ATOM 467 C ILE A 832 6.946 0.932 7.085 1.00 0.00 C ATOM 468 O ILE A 832 7.193 0.205 6.123 1.00 0.00 O ATOM 469 CB ILE A 832 7.890 3.194 7.556 1.00 0.00 C ATOM 470 CG1 ILE A 832 7.758 4.695 7.291 1.00 0.00 C ATOM 471 CG2 ILE A 832 9.224 2.675 7.040 1.00 0.00 C ATOM 472 CD1 ILE A 832 6.732 5.375 8.169 1.00 0.00 C ATOM 0 H ILE A 832 5.503 3.405 8.293 1.00 0.00 H new ATOM 0 HA ILE A 832 6.708 2.660 5.832 1.00 0.00 H new ATOM 0 HB ILE A 832 7.850 3.030 8.633 1.00 0.00 H new ATOM 0 HG12 ILE A 832 8.727 5.169 7.444 1.00 0.00 H new ATOM 0 HG13 ILE A 832 7.489 4.849 6.246 1.00 0.00 H new ATOM 0 HG21 ILE A 832 10.037 3.225 7.515 1.00 0.00 H new ATOM 0 HG22 ILE A 832 9.318 1.615 7.275 1.00 0.00 H new ATOM 0 HG23 ILE A 832 9.275 2.813 5.960 1.00 0.00 H new ATOM 0 HD11 ILE A 832 6.692 6.437 7.926 1.00 0.00 H new ATOM 0 HD12 ILE A 832 5.753 4.927 7.999 1.00 0.00 H new ATOM 0 HD13 ILE A 832 7.010 5.252 9.216 1.00 0.00 H new ATOM 484 N ASP A 833 6.852 0.477 8.330 1.00 0.00 N ATOM 485 CA ASP A 833 7.037 -0.935 8.644 1.00 0.00 C ATOM 486 C ASP A 833 6.095 -1.804 7.817 1.00 0.00 C ATOM 487 O ASP A 833 6.448 -2.913 7.418 1.00 0.00 O ATOM 488 CB ASP A 833 6.802 -1.182 10.135 1.00 0.00 C ATOM 489 CG ASP A 833 7.125 -2.606 10.543 1.00 0.00 C ATOM 490 OD1 ASP A 833 6.788 -3.533 9.778 1.00 0.00 O ATOM 491 OD2 ASP A 833 7.714 -2.794 11.629 1.00 0.00 O ATOM 0 H ASP A 833 6.649 1.066 9.138 1.00 0.00 H new ATOM 0 HA ASP A 833 8.063 -1.206 8.396 1.00 0.00 H new ATOM 0 HB2 ASP A 833 7.415 -0.493 10.716 1.00 0.00 H new ATOM 0 HB3 ASP A 833 5.762 -0.965 10.377 1.00 0.00 H new ATOM 496 N ALA A 834 4.895 -1.291 7.563 1.00 0.00 N ATOM 497 CA ALA A 834 3.903 -2.020 6.783 1.00 0.00 C ATOM 498 C ALA A 834 4.328 -2.134 5.323 1.00 0.00 C ATOM 499 O ALA A 834 4.380 -3.229 4.765 1.00 0.00 O ATOM 500 CB ALA A 834 2.546 -1.340 6.888 1.00 0.00 C ATOM 0 H ALA A 834 4.587 -0.374 7.886 1.00 0.00 H new ATOM 0 HA ALA A 834 3.825 -3.028 7.191 1.00 0.00 H new ATOM 0 HB1 ALA A 834 1.815 -1.895 6.301 1.00 0.00 H new ATOM 0 HB2 ALA A 834 2.231 -1.316 7.931 1.00 0.00 H new ATOM 0 HB3 ALA A 834 2.619 -0.321 6.508 1.00 0.00 H new ATOM 506 N ALA A 835 4.631 -0.994 4.709 1.00 0.00 N ATOM 507 CA ALA A 835 5.052 -0.967 3.314 1.00 0.00 C ATOM 508 C ALA A 835 6.237 -1.899 3.080 1.00 0.00 C ATOM 509 O ALA A 835 6.272 -2.637 2.095 1.00 0.00 O ATOM 510 CB ALA A 835 5.406 0.453 2.898 1.00 0.00 C ATOM 0 H ALA A 835 4.593 -0.078 5.156 1.00 0.00 H new ATOM 0 HA ALA A 835 4.221 -1.318 2.702 1.00 0.00 H new ATOM 0 HB1 ALA A 835 5.719 0.459 1.854 1.00 0.00 H new ATOM 0 HB2 ALA A 835 4.534 1.096 3.019 1.00 0.00 H new ATOM 0 HB3 ALA A 835 6.219 0.823 3.522 1.00 0.00 H new ATOM 516 N ILE A 836 7.204 -1.858 3.990 1.00 0.00 N ATOM 517 CA ILE A 836 8.389 -2.700 3.882 1.00 0.00 C ATOM 518 C ILE A 836 8.018 -4.179 3.913 1.00 0.00 C ATOM 519 O ILE A 836 8.327 -4.927 2.986 1.00 0.00 O ATOM 520 CB ILE A 836 9.391 -2.410 5.015 1.00 0.00 C ATOM 521 CG1 ILE A 836 9.843 -0.949 4.964 1.00 0.00 C ATOM 522 CG2 ILE A 836 10.588 -3.344 4.916 1.00 0.00 C ATOM 523 CD1 ILE A 836 10.531 -0.485 6.229 1.00 0.00 C ATOM 0 H ILE A 836 7.190 -1.251 4.810 1.00 0.00 H new ATOM 0 HA ILE A 836 8.856 -2.465 2.926 1.00 0.00 H new ATOM 0 HB ILE A 836 8.897 -2.585 5.971 1.00 0.00 H new ATOM 0 HG12 ILE A 836 10.522 -0.816 4.121 1.00 0.00 H new ATOM 0 HG13 ILE A 836 8.976 -0.315 4.778 1.00 0.00 H new ATOM 0 HG21 ILE A 836 11.287 -3.126 5.724 1.00 0.00 H new ATOM 0 HG22 ILE A 836 10.251 -4.377 4.996 1.00 0.00 H new ATOM 0 HG23 ILE A 836 11.085 -3.198 3.957 1.00 0.00 H new ATOM 0 HD11 ILE A 836 10.824 0.559 6.122 1.00 0.00 H new ATOM 0 HD12 ILE A 836 9.848 -0.585 7.072 1.00 0.00 H new ATOM 0 HD13 ILE A 836 11.417 -1.094 6.405 1.00 0.00 H new ATOM 535 N VAL A 837 7.351 -4.594 4.986 1.00 0.00 N ATOM 536 CA VAL A 837 6.935 -5.983 5.137 1.00 0.00 C ATOM 537 C VAL A 837 6.131 -6.450 3.929 1.00 0.00 C ATOM 538 O VAL A 837 6.389 -7.518 3.374 1.00 0.00 O ATOM 539 CB VAL A 837 6.090 -6.180 6.410 1.00 0.00 C ATOM 540 CG1 VAL A 837 5.631 -7.625 6.528 1.00 0.00 C ATOM 541 CG2 VAL A 837 6.877 -5.759 7.642 1.00 0.00 C ATOM 0 H VAL A 837 7.088 -3.988 5.763 1.00 0.00 H new ATOM 0 HA VAL A 837 7.844 -6.579 5.217 1.00 0.00 H new ATOM 0 HB VAL A 837 5.205 -5.548 6.339 1.00 0.00 H new ATOM 0 HG11 VAL A 837 5.036 -7.745 7.433 1.00 0.00 H new ATOM 0 HG12 VAL A 837 5.027 -7.887 5.659 1.00 0.00 H new ATOM 0 HG13 VAL A 837 6.501 -8.280 6.576 1.00 0.00 H new ATOM 0 HG21 VAL A 837 6.265 -5.905 8.532 1.00 0.00 H new ATOM 0 HG22 VAL A 837 7.781 -6.363 7.720 1.00 0.00 H new ATOM 0 HG23 VAL A 837 7.150 -4.707 7.558 1.00 0.00 H new ATOM 551 N ARG A 838 5.155 -5.643 3.526 1.00 0.00 N ATOM 552 CA ARG A 838 4.312 -5.974 2.384 1.00 0.00 C ATOM 553 C ARG A 838 5.161 -6.287 1.155 1.00 0.00 C ATOM 554 O ARG A 838 5.114 -7.396 0.622 1.00 0.00 O ATOM 555 CB ARG A 838 3.357 -4.819 2.076 1.00 0.00 C ATOM 556 CG ARG A 838 2.118 -4.804 2.956 1.00 0.00 C ATOM 557 CD ARG A 838 1.064 -5.777 2.452 1.00 0.00 C ATOM 558 NE ARG A 838 0.115 -6.147 3.499 1.00 0.00 N ATOM 559 CZ ARG A 838 -0.870 -5.357 3.911 1.00 0.00 C ATOM 560 NH1 ARG A 838 -1.035 -4.159 3.367 1.00 0.00 N ATOM 561 NH2 ARG A 838 -1.693 -5.765 4.869 1.00 0.00 N ATOM 0 H ARG A 838 4.929 -4.755 3.974 1.00 0.00 H new ATOM 0 HA ARG A 838 3.730 -6.860 2.638 1.00 0.00 H new ATOM 0 HB2 ARG A 838 3.890 -3.876 2.197 1.00 0.00 H new ATOM 0 HB3 ARG A 838 3.050 -4.881 1.032 1.00 0.00 H new ATOM 0 HG2 ARG A 838 2.394 -5.062 3.978 1.00 0.00 H new ATOM 0 HG3 ARG A 838 1.702 -3.797 2.983 1.00 0.00 H new ATOM 0 HD2 ARG A 838 0.526 -5.328 1.617 1.00 0.00 H new ATOM 0 HD3 ARG A 838 1.552 -6.674 2.071 1.00 0.00 H new ATOM 0 HE ARG A 838 0.214 -7.062 3.938 1.00 0.00 H new ATOM 0 HH11 ARG A 838 -0.405 -3.842 2.630 1.00 0.00 H new ATOM 0 HH12 ARG A 838 -1.792 -3.554 3.685 1.00 0.00 H new ATOM 0 HH21 ARG A 838 -1.569 -6.686 5.290 1.00 0.00 H new ATOM 0 HH22 ARG A 838 -2.449 -5.158 5.185 1.00 0.00 H new ATOM 575 N ILE A 839 5.934 -5.302 0.709 1.00 0.00 N ATOM 576 CA ILE A 839 6.792 -5.473 -0.456 1.00 0.00 C ATOM 577 C ILE A 839 7.679 -6.705 -0.310 1.00 0.00 C ATOM 578 O ILE A 839 7.778 -7.522 -1.225 1.00 0.00 O ATOM 579 CB ILE A 839 7.684 -4.238 -0.685 1.00 0.00 C ATOM 580 CG1 ILE A 839 6.821 -2.992 -0.900 1.00 0.00 C ATOM 581 CG2 ILE A 839 8.605 -4.462 -1.874 1.00 0.00 C ATOM 582 CD1 ILE A 839 7.522 -1.702 -0.535 1.00 0.00 C ATOM 0 H ILE A 839 5.983 -4.378 1.137 1.00 0.00 H new ATOM 0 HA ILE A 839 6.134 -5.601 -1.315 1.00 0.00 H new ATOM 0 HB ILE A 839 8.299 -4.083 0.201 1.00 0.00 H new ATOM 0 HG12 ILE A 839 6.516 -2.947 -1.945 1.00 0.00 H new ATOM 0 HG13 ILE A 839 5.912 -3.083 -0.306 1.00 0.00 H new ATOM 0 HG21 ILE A 839 9.229 -3.580 -2.022 1.00 0.00 H new ATOM 0 HG22 ILE A 839 9.240 -5.328 -1.685 1.00 0.00 H new ATOM 0 HG23 ILE A 839 8.008 -4.639 -2.769 1.00 0.00 H new ATOM 0 HD11 ILE A 839 6.852 -0.861 -0.712 1.00 0.00 H new ATOM 0 HD12 ILE A 839 7.803 -1.726 0.518 1.00 0.00 H new ATOM 0 HD13 ILE A 839 8.417 -1.588 -1.147 1.00 0.00 H new ATOM 594 N MET A 840 8.319 -6.833 0.848 1.00 0.00 N ATOM 595 CA MET A 840 9.195 -7.968 1.115 1.00 0.00 C ATOM 596 C MET A 840 8.448 -9.286 0.931 1.00 0.00 C ATOM 597 O MET A 840 8.803 -10.098 0.077 1.00 0.00 O ATOM 598 CB MET A 840 9.758 -7.881 2.534 1.00 0.00 C ATOM 599 CG MET A 840 10.761 -6.755 2.722 1.00 0.00 C ATOM 600 SD MET A 840 11.204 -6.500 4.452 1.00 0.00 S ATOM 601 CE MET A 840 12.948 -6.120 4.302 1.00 0.00 C ATOM 0 H MET A 840 8.247 -6.165 1.616 1.00 0.00 H new ATOM 0 HA MET A 840 10.019 -7.935 0.402 1.00 0.00 H new ATOM 0 HB2 MET A 840 8.935 -7.744 3.235 1.00 0.00 H new ATOM 0 HB3 MET A 840 10.236 -8.828 2.785 1.00 0.00 H new ATOM 0 HG2 MET A 840 11.662 -6.977 2.149 1.00 0.00 H new ATOM 0 HG3 MET A 840 10.345 -5.832 2.318 1.00 0.00 H new ATOM 0 HE1 MET A 840 13.476 -6.482 5.184 1.00 0.00 H new ATOM 0 HE2 MET A 840 13.351 -6.605 3.413 1.00 0.00 H new ATOM 0 HE3 MET A 840 13.079 -5.041 4.218 1.00 0.00 H new ATOM 611 N LYS A 841 7.413 -9.491 1.738 1.00 0.00 N ATOM 612 CA LYS A 841 6.615 -10.710 1.664 1.00 0.00 C ATOM 613 C LYS A 841 6.408 -11.138 0.215 1.00 0.00 C ATOM 614 O LYS A 841 6.897 -12.185 -0.208 1.00 0.00 O ATOM 615 CB LYS A 841 5.260 -10.498 2.343 1.00 0.00 C ATOM 616 CG LYS A 841 4.413 -11.757 2.417 1.00 0.00 C ATOM 617 CD LYS A 841 3.215 -11.571 3.332 1.00 0.00 C ATOM 618 CE LYS A 841 2.007 -11.050 2.568 1.00 0.00 C ATOM 619 NZ LYS A 841 1.982 -9.562 2.518 1.00 0.00 N ATOM 0 H LYS A 841 7.107 -8.829 2.451 1.00 0.00 H new ATOM 0 HA LYS A 841 7.156 -11.501 2.184 1.00 0.00 H new ATOM 0 HB2 LYS A 841 5.424 -10.121 3.352 1.00 0.00 H new ATOM 0 HB3 LYS A 841 4.708 -9.730 1.801 1.00 0.00 H new ATOM 0 HG2 LYS A 841 4.070 -12.025 1.418 1.00 0.00 H new ATOM 0 HG3 LYS A 841 5.022 -12.586 2.778 1.00 0.00 H new ATOM 0 HD2 LYS A 841 2.966 -12.521 3.805 1.00 0.00 H new ATOM 0 HD3 LYS A 841 3.470 -10.874 4.131 1.00 0.00 H new ATOM 0 HE2 LYS A 841 2.020 -11.447 1.553 1.00 0.00 H new ATOM 0 HE3 LYS A 841 1.094 -11.413 3.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 1.008 -9.236 2.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 2.329 -9.178 3.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 2.592 -9.230 1.743 1.00 0.00 H new ATOM 633 N MET A 842 5.683 -10.321 -0.541 1.00 0.00 N ATOM 634 CA MET A 842 5.415 -10.615 -1.944 1.00 0.00 C ATOM 635 C MET A 842 6.697 -11.006 -2.673 1.00 0.00 C ATOM 636 O MET A 842 6.692 -11.895 -3.523 1.00 0.00 O ATOM 637 CB MET A 842 4.775 -9.405 -2.628 1.00 0.00 C ATOM 638 CG MET A 842 3.354 -9.127 -2.166 1.00 0.00 C ATOM 639 SD MET A 842 2.198 -10.419 -2.661 1.00 0.00 S ATOM 640 CE MET A 842 1.495 -10.870 -1.076 1.00 0.00 C ATOM 0 H MET A 842 5.271 -9.450 -0.206 1.00 0.00 H new ATOM 0 HA MET A 842 4.723 -11.456 -1.987 1.00 0.00 H new ATOM 0 HB2 MET A 842 5.389 -8.524 -2.439 1.00 0.00 H new ATOM 0 HB3 MET A 842 4.773 -9.566 -3.706 1.00 0.00 H new ATOM 0 HG2 MET A 842 3.341 -9.030 -1.080 1.00 0.00 H new ATOM 0 HG3 MET A 842 3.023 -8.172 -2.575 1.00 0.00 H new ATOM 0 HE1 MET A 842 0.440 -11.113 -1.202 1.00 0.00 H new ATOM 0 HE2 MET A 842 2.022 -11.737 -0.678 1.00 0.00 H new ATOM 0 HE3 MET A 842 1.595 -10.035 -0.383 1.00 0.00 H new ATOM 650 N ARG A 843 7.793 -10.335 -2.333 1.00 0.00 N ATOM 651 CA ARG A 843 9.082 -10.612 -2.956 1.00 0.00 C ATOM 652 C ARG A 843 9.952 -11.473 -2.045 1.00 0.00 C ATOM 653 O ARG A 843 10.673 -10.960 -1.190 1.00 0.00 O ATOM 654 CB ARG A 843 9.805 -9.304 -3.283 1.00 0.00 C ATOM 655 CG ARG A 843 8.944 -8.303 -4.035 1.00 0.00 C ATOM 656 CD ARG A 843 9.038 -8.505 -5.539 1.00 0.00 C ATOM 657 NE ARG A 843 8.096 -7.659 -6.265 1.00 0.00 N ATOM 658 CZ ARG A 843 6.827 -7.988 -6.480 1.00 0.00 C ATOM 659 NH1 ARG A 843 6.351 -9.139 -6.025 1.00 0.00 N ATOM 660 NH2 ARG A 843 6.031 -7.164 -7.150 1.00 0.00 N ATOM 0 H ARG A 843 7.814 -9.596 -1.630 1.00 0.00 H new ATOM 0 HA ARG A 843 8.901 -11.160 -3.881 1.00 0.00 H new ATOM 0 HB2 ARG A 843 10.151 -8.848 -2.355 1.00 0.00 H new ATOM 0 HB3 ARG A 843 10.691 -9.527 -3.878 1.00 0.00 H new ATOM 0 HG2 ARG A 843 7.906 -8.404 -3.718 1.00 0.00 H new ATOM 0 HG3 ARG A 843 9.258 -7.290 -3.783 1.00 0.00 H new ATOM 0 HD2 ARG A 843 10.053 -8.286 -5.871 1.00 0.00 H new ATOM 0 HD3 ARG A 843 8.844 -9.551 -5.777 1.00 0.00 H new ATOM 0 HE ARG A 843 8.430 -6.766 -6.627 1.00 0.00 H new ATOM 0 HH11 ARG A 843 6.960 -9.774 -5.509 1.00 0.00 H new ATOM 0 HH12 ARG A 843 5.376 -9.389 -6.191 1.00 0.00 H new ATOM 0 HH21 ARG A 843 6.393 -6.277 -7.500 1.00 0.00 H new ATOM 0 HH22 ARG A 843 5.057 -7.417 -7.315 1.00 0.00 H new ATOM 674 N LYS A 844 9.879 -12.786 -2.235 1.00 0.00 N ATOM 675 CA LYS A 844 10.659 -13.720 -1.432 1.00 0.00 C ATOM 676 C LYS A 844 12.015 -13.124 -1.067 1.00 0.00 C ATOM 677 O LYS A 844 12.471 -13.241 0.071 1.00 0.00 O ATOM 678 CB LYS A 844 10.856 -15.035 -2.190 1.00 0.00 C ATOM 679 CG LYS A 844 9.558 -15.760 -2.499 1.00 0.00 C ATOM 680 CD LYS A 844 9.007 -16.465 -1.271 1.00 0.00 C ATOM 681 CE LYS A 844 7.667 -17.123 -1.560 1.00 0.00 C ATOM 682 NZ LYS A 844 6.530 -16.187 -1.341 1.00 0.00 N ATOM 0 H LYS A 844 9.287 -13.228 -2.939 1.00 0.00 H new ATOM 0 HA LYS A 844 10.109 -13.916 -0.512 1.00 0.00 H new ATOM 0 HB2 LYS A 844 11.380 -14.831 -3.124 1.00 0.00 H new ATOM 0 HB3 LYS A 844 11.497 -15.691 -1.602 1.00 0.00 H new ATOM 0 HG2 LYS A 844 8.822 -15.047 -2.871 1.00 0.00 H new ATOM 0 HG3 LYS A 844 9.727 -16.488 -3.292 1.00 0.00 H new ATOM 0 HD2 LYS A 844 9.718 -17.219 -0.933 1.00 0.00 H new ATOM 0 HD3 LYS A 844 8.893 -15.747 -0.459 1.00 0.00 H new ATOM 0 HE2 LYS A 844 7.652 -17.478 -2.590 1.00 0.00 H new ATOM 0 HE3 LYS A 844 7.546 -17.997 -0.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 844 5.635 -16.674 -1.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 844 6.529 -15.868 -0.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 844 6.631 -15.365 -1.970 1.00 0.00 H new ATOM 696 N THR A 845 12.655 -12.482 -2.040 1.00 0.00 N ATOM 697 CA THR A 845 13.958 -11.867 -1.821 1.00 0.00 C ATOM 698 C THR A 845 14.055 -10.519 -2.527 1.00 0.00 C ATOM 699 O THR A 845 13.832 -10.422 -3.735 1.00 0.00 O ATOM 700 CB THR A 845 15.099 -12.776 -2.316 1.00 0.00 C ATOM 701 OG1 THR A 845 15.078 -14.018 -1.604 1.00 0.00 O ATOM 702 CG2 THR A 845 16.449 -12.100 -2.128 1.00 0.00 C ATOM 0 H THR A 845 12.292 -12.375 -2.987 1.00 0.00 H new ATOM 0 HA THR A 845 14.061 -11.720 -0.746 1.00 0.00 H new ATOM 0 HB THR A 845 14.950 -12.964 -3.379 1.00 0.00 H new ATOM 0 HG1 THR A 845 15.805 -14.591 -1.925 1.00 0.00 H new ATOM 0 HG21 THR A 845 17.239 -12.760 -2.484 1.00 0.00 H new ATOM 0 HG22 THR A 845 16.472 -11.169 -2.694 1.00 0.00 H new ATOM 0 HG23 THR A 845 16.605 -11.886 -1.071 1.00 0.00 H new ATOM 710 N LEU A 846 14.388 -9.481 -1.768 1.00 0.00 N ATOM 711 CA LEU A 846 14.516 -8.138 -2.322 1.00 0.00 C ATOM 712 C LEU A 846 15.741 -7.429 -1.754 1.00 0.00 C ATOM 713 O LEU A 846 16.206 -7.750 -0.660 1.00 0.00 O ATOM 714 CB LEU A 846 13.257 -7.321 -2.025 1.00 0.00 C ATOM 715 CG LEU A 846 12.937 -6.199 -3.013 1.00 0.00 C ATOM 716 CD1 LEU A 846 12.658 -6.768 -4.395 1.00 0.00 C ATOM 717 CD2 LEU A 846 11.752 -5.379 -2.523 1.00 0.00 C ATOM 0 H LEU A 846 14.574 -9.544 -0.767 1.00 0.00 H new ATOM 0 HA LEU A 846 14.639 -8.227 -3.401 1.00 0.00 H new ATOM 0 HB2 LEU A 846 12.406 -8.001 -1.991 1.00 0.00 H new ATOM 0 HB3 LEU A 846 13.357 -6.885 -1.031 1.00 0.00 H new ATOM 0 HG LEU A 846 13.805 -5.543 -3.081 1.00 0.00 H new ATOM 0 HD11 LEU A 846 12.432 -5.955 -5.085 1.00 0.00 H new ATOM 0 HD12 LEU A 846 13.535 -7.311 -4.749 1.00 0.00 H new ATOM 0 HD13 LEU A 846 11.807 -7.447 -4.344 1.00 0.00 H new ATOM 0 HD21 LEU A 846 11.538 -4.585 -3.238 1.00 0.00 H new ATOM 0 HD22 LEU A 846 10.879 -6.024 -2.425 1.00 0.00 H new ATOM 0 HD23 LEU A 846 11.989 -4.940 -1.554 1.00 0.00 H new ATOM 729 N SER A 847 16.259 -6.461 -2.504 1.00 0.00 N ATOM 730 CA SER A 847 17.432 -5.708 -2.076 1.00 0.00 C ATOM 731 C SER A 847 17.022 -4.428 -1.355 1.00 0.00 C ATOM 732 O SER A 847 15.845 -4.065 -1.330 1.00 0.00 O ATOM 733 CB SER A 847 18.313 -5.368 -3.280 1.00 0.00 C ATOM 734 OG SER A 847 17.764 -4.296 -4.027 1.00 0.00 O ATOM 0 H SER A 847 15.885 -6.180 -3.410 1.00 0.00 H new ATOM 0 HA SER A 847 17.999 -6.329 -1.383 1.00 0.00 H new ATOM 0 HB2 SER A 847 19.314 -5.103 -2.939 1.00 0.00 H new ATOM 0 HB3 SER A 847 18.416 -6.245 -3.919 1.00 0.00 H new ATOM 0 HG SER A 847 18.417 -3.992 -4.691 1.00 0.00 H new ATOM 740 N HIS A 848 18.001 -3.747 -0.767 1.00 0.00 N ATOM 741 CA HIS A 848 17.743 -2.506 -0.045 1.00 0.00 C ATOM 742 C HIS A 848 17.238 -1.422 -0.991 1.00 0.00 C ATOM 743 O HIS A 848 16.260 -0.735 -0.698 1.00 0.00 O ATOM 744 CB HIS A 848 19.012 -2.031 0.664 1.00 0.00 C ATOM 745 CG HIS A 848 18.821 -0.774 1.455 1.00 0.00 C ATOM 746 ND1 HIS A 848 18.779 -0.751 2.833 1.00 0.00 N ATOM 747 CD2 HIS A 848 18.662 0.509 1.054 1.00 0.00 C ATOM 748 CE1 HIS A 848 18.600 0.491 3.245 1.00 0.00 C ATOM 749 NE2 HIS A 848 18.527 1.276 2.185 1.00 0.00 N ATOM 0 H HIS A 848 18.980 -4.034 -0.776 1.00 0.00 H new ATOM 0 HA HIS A 848 16.971 -2.701 0.700 1.00 0.00 H new ATOM 0 HB2 HIS A 848 19.363 -2.820 1.330 1.00 0.00 H new ATOM 0 HB3 HIS A 848 19.794 -1.868 -0.078 1.00 0.00 H new ATOM 0 HD1 HIS A 848 18.872 -1.566 3.439 1.00 0.00 H new ATOM 0 HD2 HIS A 848 18.645 0.864 0.034 1.00 0.00 H new ATOM 0 HE1 HIS A 848 18.526 0.811 4.274 1.00 0.00 H new ATOM 757 N ASN A 849 17.912 -1.273 -2.127 1.00 0.00 N ATOM 758 CA ASN A 849 17.532 -0.270 -3.115 1.00 0.00 C ATOM 759 C ASN A 849 16.079 -0.453 -3.545 1.00 0.00 C ATOM 760 O ASN A 849 15.272 0.473 -3.453 1.00 0.00 O ATOM 761 CB ASN A 849 18.451 -0.353 -4.336 1.00 0.00 C ATOM 762 CG ASN A 849 18.010 0.570 -5.455 1.00 0.00 C ATOM 763 OD1 ASN A 849 16.955 1.199 -5.377 1.00 0.00 O ATOM 764 ND2 ASN A 849 18.819 0.654 -6.505 1.00 0.00 N ATOM 0 H ASN A 849 18.724 -1.834 -2.386 1.00 0.00 H new ATOM 0 HA ASN A 849 17.636 0.713 -2.656 1.00 0.00 H new ATOM 0 HB2 ASN A 849 19.469 -0.099 -4.039 1.00 0.00 H new ATOM 0 HB3 ASN A 849 18.472 -1.379 -4.702 1.00 0.00 H new ATOM 0 HD21 ASN A 849 18.575 1.258 -7.290 1.00 0.00 H new ATOM 0 HD22 ASN A 849 19.684 0.114 -6.527 1.00 0.00 H new ATOM 771 N LEU A 850 15.753 -1.652 -4.013 1.00 0.00 N ATOM 772 CA LEU A 850 14.398 -1.958 -4.456 1.00 0.00 C ATOM 773 C LEU A 850 13.406 -1.827 -3.305 1.00 0.00 C ATOM 774 O LEU A 850 12.251 -1.448 -3.506 1.00 0.00 O ATOM 775 CB LEU A 850 14.337 -3.371 -5.039 1.00 0.00 C ATOM 776 CG LEU A 850 14.695 -3.503 -6.519 1.00 0.00 C ATOM 777 CD1 LEU A 850 13.720 -2.711 -7.377 1.00 0.00 C ATOM 778 CD2 LEU A 850 16.123 -3.039 -6.766 1.00 0.00 C ATOM 0 H LEU A 850 16.409 -2.429 -4.096 1.00 0.00 H new ATOM 0 HA LEU A 850 14.125 -1.241 -5.230 1.00 0.00 H new ATOM 0 HB2 LEU A 850 15.010 -4.008 -4.465 1.00 0.00 H new ATOM 0 HB3 LEU A 850 13.329 -3.759 -4.894 1.00 0.00 H new ATOM 0 HG LEU A 850 14.622 -4.554 -6.798 1.00 0.00 H new ATOM 0 HD11 LEU A 850 13.991 -2.817 -8.428 1.00 0.00 H new ATOM 0 HD12 LEU A 850 12.709 -3.089 -7.223 1.00 0.00 H new ATOM 0 HD13 LEU A 850 13.760 -1.659 -7.096 1.00 0.00 H new ATOM 0 HD21 LEU A 850 16.360 -3.140 -7.825 1.00 0.00 H new ATOM 0 HD22 LEU A 850 16.223 -1.995 -6.470 1.00 0.00 H new ATOM 0 HD23 LEU A 850 16.810 -3.649 -6.180 1.00 0.00 H new ATOM 790 N LEU A 851 13.864 -2.141 -2.098 1.00 0.00 N ATOM 791 CA LEU A 851 13.017 -2.056 -0.913 1.00 0.00 C ATOM 792 C LEU A 851 12.635 -0.609 -0.619 1.00 0.00 C ATOM 793 O LEU A 851 11.477 -0.219 -0.773 1.00 0.00 O ATOM 794 CB LEU A 851 13.735 -2.661 0.295 1.00 0.00 C ATOM 795 CG LEU A 851 13.034 -2.499 1.644 1.00 0.00 C ATOM 796 CD1 LEU A 851 11.873 -3.475 1.762 1.00 0.00 C ATOM 797 CD2 LEU A 851 14.020 -2.698 2.785 1.00 0.00 C ATOM 0 H LEU A 851 14.816 -2.457 -1.914 1.00 0.00 H new ATOM 0 HA LEU A 851 12.105 -2.621 -1.107 1.00 0.00 H new ATOM 0 HB2 LEU A 851 13.881 -3.725 0.110 1.00 0.00 H new ATOM 0 HB3 LEU A 851 14.725 -2.211 0.367 1.00 0.00 H new ATOM 0 HG LEU A 851 12.638 -1.486 1.707 1.00 0.00 H new ATOM 0 HD11 LEU A 851 11.386 -3.346 2.728 1.00 0.00 H new ATOM 0 HD12 LEU A 851 11.155 -3.284 0.965 1.00 0.00 H new ATOM 0 HD13 LEU A 851 12.246 -4.496 1.677 1.00 0.00 H new ATOM 0 HD21 LEU A 851 13.503 -2.579 3.737 1.00 0.00 H new ATOM 0 HD22 LEU A 851 14.447 -3.699 2.726 1.00 0.00 H new ATOM 0 HD23 LEU A 851 14.817 -1.959 2.710 1.00 0.00 H new ATOM 809 N VAL A 852 13.615 0.183 -0.197 1.00 0.00 N ATOM 810 CA VAL A 852 13.382 1.588 0.115 1.00 0.00 C ATOM 811 C VAL A 852 12.602 2.276 -0.999 1.00 0.00 C ATOM 812 O VAL A 852 11.725 3.100 -0.740 1.00 0.00 O ATOM 813 CB VAL A 852 14.707 2.340 0.340 1.00 0.00 C ATOM 814 CG1 VAL A 852 15.536 1.652 1.414 1.00 0.00 C ATOM 815 CG2 VAL A 852 15.487 2.445 -0.962 1.00 0.00 C ATOM 0 H VAL A 852 14.578 -0.124 -0.063 1.00 0.00 H new ATOM 0 HA VAL A 852 12.797 1.616 1.034 1.00 0.00 H new ATOM 0 HB VAL A 852 14.479 3.349 0.683 1.00 0.00 H new ATOM 0 HG11 VAL A 852 16.468 2.198 1.559 1.00 0.00 H new ATOM 0 HG12 VAL A 852 14.977 1.634 2.349 1.00 0.00 H new ATOM 0 HG13 VAL A 852 15.758 0.631 1.104 1.00 0.00 H new ATOM 0 HG21 VAL A 852 16.420 2.979 -0.785 1.00 0.00 H new ATOM 0 HG22 VAL A 852 15.707 1.445 -1.336 1.00 0.00 H new ATOM 0 HG23 VAL A 852 14.894 2.986 -1.699 1.00 0.00 H new ATOM 825 N SER A 853 12.928 1.932 -2.241 1.00 0.00 N ATOM 826 CA SER A 853 12.260 2.520 -3.397 1.00 0.00 C ATOM 827 C SER A 853 10.764 2.224 -3.368 1.00 0.00 C ATOM 828 O SER A 853 9.943 3.134 -3.260 1.00 0.00 O ATOM 829 CB SER A 853 12.872 1.985 -4.693 1.00 0.00 C ATOM 830 OG SER A 853 12.491 2.779 -5.803 1.00 0.00 O ATOM 0 H SER A 853 13.650 1.250 -2.473 1.00 0.00 H new ATOM 0 HA SER A 853 12.400 3.600 -3.356 1.00 0.00 H new ATOM 0 HB2 SER A 853 13.959 1.972 -4.607 1.00 0.00 H new ATOM 0 HB3 SER A 853 12.552 0.955 -4.852 1.00 0.00 H new ATOM 0 HG SER A 853 12.896 2.417 -6.619 1.00 0.00 H new ATOM 836 N GLU A 854 10.418 0.944 -3.466 1.00 0.00 N ATOM 837 CA GLU A 854 9.020 0.528 -3.452 1.00 0.00 C ATOM 838 C GLU A 854 8.261 1.210 -2.318 1.00 0.00 C ATOM 839 O GLU A 854 7.184 1.770 -2.526 1.00 0.00 O ATOM 840 CB GLU A 854 8.919 -0.992 -3.307 1.00 0.00 C ATOM 841 CG GLU A 854 9.281 -1.750 -4.573 1.00 0.00 C ATOM 842 CD GLU A 854 8.519 -1.255 -5.787 1.00 0.00 C ATOM 843 OE1 GLU A 854 7.301 -1.515 -5.870 1.00 0.00 O ATOM 844 OE2 GLU A 854 9.142 -0.607 -6.654 1.00 0.00 O ATOM 0 H GLU A 854 11.086 0.178 -3.556 1.00 0.00 H new ATOM 0 HA GLU A 854 8.569 0.826 -4.398 1.00 0.00 H new ATOM 0 HB2 GLU A 854 9.576 -1.316 -2.500 1.00 0.00 H new ATOM 0 HB3 GLU A 854 7.902 -1.254 -3.015 1.00 0.00 H new ATOM 0 HG2 GLU A 854 10.351 -1.654 -4.756 1.00 0.00 H new ATOM 0 HG3 GLU A 854 9.077 -2.811 -4.428 1.00 0.00 H new ATOM 851 N VAL A 855 8.829 1.157 -1.118 1.00 0.00 N ATOM 852 CA VAL A 855 8.207 1.770 0.050 1.00 0.00 C ATOM 853 C VAL A 855 7.761 3.197 -0.250 1.00 0.00 C ATOM 854 O VAL A 855 6.591 3.540 -0.085 1.00 0.00 O ATOM 855 CB VAL A 855 9.167 1.786 1.254 1.00 0.00 C ATOM 856 CG1 VAL A 855 8.557 2.558 2.414 1.00 0.00 C ATOM 857 CG2 VAL A 855 9.518 0.366 1.674 1.00 0.00 C ATOM 0 H VAL A 855 9.719 0.696 -0.929 1.00 0.00 H new ATOM 0 HA VAL A 855 7.335 1.165 0.298 1.00 0.00 H new ATOM 0 HB VAL A 855 10.086 2.291 0.957 1.00 0.00 H new ATOM 0 HG11 VAL A 855 9.250 2.558 3.255 1.00 0.00 H new ATOM 0 HG12 VAL A 855 8.361 3.585 2.105 1.00 0.00 H new ATOM 0 HG13 VAL A 855 7.622 2.085 2.714 1.00 0.00 H new ATOM 0 HG21 VAL A 855 10.197 0.396 2.526 1.00 0.00 H new ATOM 0 HG22 VAL A 855 8.609 -0.166 1.953 1.00 0.00 H new ATOM 0 HG23 VAL A 855 10.000 -0.150 0.844 1.00 0.00 H new ATOM 867 N TYR A 856 8.703 4.024 -0.691 1.00 0.00 N ATOM 868 CA TYR A 856 8.408 5.415 -1.012 1.00 0.00 C ATOM 869 C TYR A 856 7.225 5.514 -1.970 1.00 0.00 C ATOM 870 O TYR A 856 6.358 6.373 -1.817 1.00 0.00 O ATOM 871 CB TYR A 856 9.635 6.089 -1.628 1.00 0.00 C ATOM 872 CG TYR A 856 10.816 6.172 -0.688 1.00 0.00 C ATOM 873 CD1 TYR A 856 10.668 6.662 0.604 1.00 0.00 C ATOM 874 CD2 TYR A 856 12.080 5.759 -1.091 1.00 0.00 C ATOM 875 CE1 TYR A 856 11.745 6.740 1.466 1.00 0.00 C ATOM 876 CE2 TYR A 856 13.162 5.832 -0.236 1.00 0.00 C ATOM 877 CZ TYR A 856 12.990 6.324 1.041 1.00 0.00 C ATOM 878 OH TYR A 856 14.064 6.399 1.897 1.00 0.00 O ATOM 0 H TYR A 856 9.676 3.755 -0.834 1.00 0.00 H new ATOM 0 HA TYR A 856 8.146 5.927 -0.086 1.00 0.00 H new ATOM 0 HB2 TYR A 856 9.931 5.539 -2.522 1.00 0.00 H new ATOM 0 HB3 TYR A 856 9.364 7.095 -1.948 1.00 0.00 H new ATOM 0 HD1 TYR A 856 9.695 6.987 0.940 1.00 0.00 H new ATOM 0 HD2 TYR A 856 12.219 5.374 -2.091 1.00 0.00 H new ATOM 0 HE1 TYR A 856 11.613 7.124 2.467 1.00 0.00 H new ATOM 0 HE2 TYR A 856 14.137 5.506 -0.565 1.00 0.00 H new ATOM 0 HH TYR A 856 14.867 6.066 1.444 1.00 0.00 H new ATOM 888 N ASN A 857 7.197 4.627 -2.959 1.00 0.00 N ATOM 889 CA ASN A 857 6.121 4.613 -3.944 1.00 0.00 C ATOM 890 C ASN A 857 4.777 4.334 -3.277 1.00 0.00 C ATOM 891 O ASN A 857 3.746 4.860 -3.694 1.00 0.00 O ATOM 892 CB ASN A 857 6.398 3.559 -5.018 1.00 0.00 C ATOM 893 CG ASN A 857 5.567 3.776 -6.268 1.00 0.00 C ATOM 894 OD1 ASN A 857 4.455 3.262 -6.385 1.00 0.00 O ATOM 895 ND2 ASN A 857 6.106 4.541 -7.211 1.00 0.00 N ATOM 0 H ASN A 857 7.907 3.908 -3.100 1.00 0.00 H new ATOM 0 HA ASN A 857 6.078 5.596 -4.412 1.00 0.00 H new ATOM 0 HB2 ASN A 857 7.456 3.580 -5.280 1.00 0.00 H new ATOM 0 HB3 ASN A 857 6.190 2.568 -4.614 1.00 0.00 H new ATOM 0 HD21 ASN A 857 5.595 4.722 -8.075 1.00 0.00 H new ATOM 0 HD22 ASN A 857 7.031 4.947 -7.071 1.00 0.00 H new ATOM 902 N GLN A 858 4.799 3.505 -2.238 1.00 0.00 N ATOM 903 CA GLN A 858 3.582 3.156 -1.514 1.00 0.00 C ATOM 904 C GLN A 858 3.142 4.301 -0.607 1.00 0.00 C ATOM 905 O GLN A 858 1.948 4.563 -0.456 1.00 0.00 O ATOM 906 CB GLN A 858 3.802 1.889 -0.686 1.00 0.00 C ATOM 907 CG GLN A 858 4.039 0.646 -1.528 1.00 0.00 C ATOM 908 CD GLN A 858 3.021 0.492 -2.641 1.00 0.00 C ATOM 909 OE1 GLN A 858 1.930 -0.039 -2.430 1.00 0.00 O ATOM 910 NE2 GLN A 858 3.372 0.957 -3.834 1.00 0.00 N ATOM 0 H GLN A 858 5.645 3.063 -1.879 1.00 0.00 H new ATOM 0 HA GLN A 858 2.794 2.972 -2.244 1.00 0.00 H new ATOM 0 HB2 GLN A 858 4.657 2.040 -0.027 1.00 0.00 H new ATOM 0 HB3 GLN A 858 2.933 1.726 -0.049 1.00 0.00 H new ATOM 0 HG2 GLN A 858 5.039 0.689 -1.959 1.00 0.00 H new ATOM 0 HG3 GLN A 858 4.006 -0.235 -0.886 1.00 0.00 H new ATOM 0 HE21 GLN A 858 4.286 1.390 -3.964 1.00 0.00 H new ATOM 0 HE22 GLN A 858 2.727 0.881 -4.621 1.00 0.00 H new ATOM 919 N LEU A 859 4.113 4.979 -0.005 1.00 0.00 N ATOM 920 CA LEU A 859 3.826 6.096 0.888 1.00 0.00 C ATOM 921 C LEU A 859 3.751 7.408 0.113 1.00 0.00 C ATOM 922 O LEU A 859 4.543 7.649 -0.798 1.00 0.00 O ATOM 923 CB LEU A 859 4.898 6.194 1.975 1.00 0.00 C ATOM 924 CG LEU A 859 5.280 4.881 2.660 1.00 0.00 C ATOM 925 CD1 LEU A 859 6.246 5.139 3.806 1.00 0.00 C ATOM 926 CD2 LEU A 859 4.038 4.159 3.160 1.00 0.00 C ATOM 0 H LEU A 859 5.106 4.775 -0.119 1.00 0.00 H new ATOM 0 HA LEU A 859 2.858 5.915 1.355 1.00 0.00 H new ATOM 0 HB2 LEU A 859 5.796 6.625 1.534 1.00 0.00 H new ATOM 0 HB3 LEU A 859 4.551 6.891 2.738 1.00 0.00 H new ATOM 0 HG LEU A 859 5.777 4.243 1.929 1.00 0.00 H new ATOM 0 HD11 LEU A 859 6.507 4.194 4.282 1.00 0.00 H new ATOM 0 HD12 LEU A 859 7.149 5.613 3.421 1.00 0.00 H new ATOM 0 HD13 LEU A 859 5.775 5.796 4.538 1.00 0.00 H new ATOM 0 HD21 LEU A 859 4.329 3.227 3.644 1.00 0.00 H new ATOM 0 HD22 LEU A 859 3.513 4.791 3.876 1.00 0.00 H new ATOM 0 HD23 LEU A 859 3.381 3.940 2.318 1.00 0.00 H new ATOM 938 N LYS A 860 2.795 8.253 0.482 1.00 0.00 N ATOM 939 CA LYS A 860 2.618 9.543 -0.175 1.00 0.00 C ATOM 940 C LYS A 860 3.676 10.539 0.287 1.00 0.00 C ATOM 941 O LYS A 860 4.008 11.484 -0.429 1.00 0.00 O ATOM 942 CB LYS A 860 1.220 10.097 0.111 1.00 0.00 C ATOM 943 CG LYS A 860 0.107 9.325 -0.576 1.00 0.00 C ATOM 944 CD LYS A 860 -0.385 8.172 0.283 1.00 0.00 C ATOM 945 CE LYS A 860 -1.696 7.607 -0.242 1.00 0.00 C ATOM 946 NZ LYS A 860 -2.201 6.496 0.612 1.00 0.00 N ATOM 0 H LYS A 860 2.130 8.068 1.233 1.00 0.00 H new ATOM 0 HA LYS A 860 2.730 9.394 -1.249 1.00 0.00 H new ATOM 0 HB2 LYS A 860 1.047 10.086 1.187 1.00 0.00 H new ATOM 0 HB3 LYS A 860 1.179 11.138 -0.208 1.00 0.00 H new ATOM 0 HG2 LYS A 860 -0.723 9.998 -0.794 1.00 0.00 H new ATOM 0 HG3 LYS A 860 0.465 8.941 -1.531 1.00 0.00 H new ATOM 0 HD2 LYS A 860 0.369 7.385 0.305 1.00 0.00 H new ATOM 0 HD3 LYS A 860 -0.519 8.513 1.310 1.00 0.00 H new ATOM 0 HE2 LYS A 860 -2.442 8.400 -0.285 1.00 0.00 H new ATOM 0 HE3 LYS A 860 -1.554 7.247 -1.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 860 -3.096 6.137 0.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 860 -1.500 5.728 0.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 860 -2.360 6.846 1.578 1.00 0.00 H new ATOM 960 N PHE A 861 4.203 10.322 1.487 1.00 0.00 N ATOM 961 CA PHE A 861 5.224 11.200 2.045 1.00 0.00 C ATOM 962 C PHE A 861 6.561 10.474 2.164 1.00 0.00 C ATOM 963 O PHE A 861 6.621 9.266 2.392 1.00 0.00 O ATOM 964 CB PHE A 861 4.788 11.718 3.417 1.00 0.00 C ATOM 965 CG PHE A 861 4.555 10.627 4.423 1.00 0.00 C ATOM 966 CD1 PHE A 861 5.598 10.147 5.198 1.00 0.00 C ATOM 967 CD2 PHE A 861 3.293 10.081 4.593 1.00 0.00 C ATOM 968 CE1 PHE A 861 5.387 9.143 6.125 1.00 0.00 C ATOM 969 CE2 PHE A 861 3.075 9.078 5.518 1.00 0.00 C ATOM 970 CZ PHE A 861 4.124 8.607 6.284 1.00 0.00 C ATOM 0 H PHE A 861 3.939 9.545 2.092 1.00 0.00 H new ATOM 0 HA PHE A 861 5.349 12.045 1.368 1.00 0.00 H new ATOM 0 HB2 PHE A 861 5.550 12.397 3.799 1.00 0.00 H new ATOM 0 HB3 PHE A 861 3.872 12.298 3.303 1.00 0.00 H new ATOM 0 HD1 PHE A 861 6.588 10.562 5.077 1.00 0.00 H new ATOM 0 HD2 PHE A 861 2.470 10.444 3.995 1.00 0.00 H new ATOM 0 HE1 PHE A 861 6.209 8.778 6.724 1.00 0.00 H new ATOM 0 HE2 PHE A 861 2.086 8.663 5.642 1.00 0.00 H new ATOM 0 HZ PHE A 861 3.957 7.821 7.006 1.00 0.00 H new ATOM 980 N PRO A 862 7.659 11.228 2.006 1.00 0.00 N ATOM 981 CA PRO A 862 9.015 10.678 2.091 1.00 0.00 C ATOM 982 C PRO A 862 9.385 10.264 3.512 1.00 0.00 C ATOM 983 O PRO A 862 8.816 10.764 4.482 1.00 0.00 O ATOM 984 CB PRO A 862 9.898 11.838 1.625 1.00 0.00 C ATOM 985 CG PRO A 862 9.102 13.062 1.920 1.00 0.00 C ATOM 986 CD PRO A 862 7.661 12.675 1.732 1.00 0.00 C ATOM 0 HA PRO A 862 9.126 9.773 1.494 1.00 0.00 H new ATOM 0 HB2 PRO A 862 10.851 11.848 2.155 1.00 0.00 H new ATOM 0 HB3 PRO A 862 10.125 11.760 0.562 1.00 0.00 H new ATOM 0 HG2 PRO A 862 9.283 13.409 2.937 1.00 0.00 H new ATOM 0 HG3 PRO A 862 9.378 13.877 1.251 1.00 0.00 H new ATOM 0 HD2 PRO A 862 7.007 13.215 2.417 1.00 0.00 H new ATOM 0 HD3 PRO A 862 7.315 12.893 0.722 1.00 0.00 H new ATOM 994 N VAL A 863 10.342 9.349 3.626 1.00 0.00 N ATOM 995 CA VAL A 863 10.788 8.869 4.929 1.00 0.00 C ATOM 996 C VAL A 863 12.292 9.055 5.097 1.00 0.00 C ATOM 997 O VAL A 863 13.081 8.607 4.265 1.00 0.00 O ATOM 998 CB VAL A 863 10.441 7.382 5.128 1.00 0.00 C ATOM 999 CG1 VAL A 863 11.019 6.869 6.439 1.00 0.00 C ATOM 1000 CG2 VAL A 863 8.934 7.176 5.085 1.00 0.00 C ATOM 0 H VAL A 863 10.823 8.925 2.833 1.00 0.00 H new ATOM 0 HA VAL A 863 10.265 9.460 5.681 1.00 0.00 H new ATOM 0 HB VAL A 863 10.887 6.811 4.313 1.00 0.00 H new ATOM 0 HG11 VAL A 863 10.763 5.817 6.562 1.00 0.00 H new ATOM 0 HG12 VAL A 863 12.103 6.980 6.427 1.00 0.00 H new ATOM 0 HG13 VAL A 863 10.605 7.442 7.268 1.00 0.00 H new ATOM 0 HG21 VAL A 863 8.707 6.119 5.227 1.00 0.00 H new ATOM 0 HG22 VAL A 863 8.464 7.758 5.878 1.00 0.00 H new ATOM 0 HG23 VAL A 863 8.550 7.503 4.119 1.00 0.00 H new ATOM 1010 N LYS A 864 12.683 9.719 6.180 1.00 0.00 N ATOM 1011 CA LYS A 864 14.093 9.964 6.460 1.00 0.00 C ATOM 1012 C LYS A 864 14.890 8.664 6.417 1.00 0.00 C ATOM 1013 O LYS A 864 14.345 7.569 6.556 1.00 0.00 O ATOM 1014 CB LYS A 864 14.253 10.628 7.829 1.00 0.00 C ATOM 1015 CG LYS A 864 14.192 12.145 7.781 1.00 0.00 C ATOM 1016 CD LYS A 864 14.587 12.762 9.112 1.00 0.00 C ATOM 1017 CE LYS A 864 16.092 12.949 9.216 1.00 0.00 C ATOM 1018 NZ LYS A 864 16.564 14.107 8.408 1.00 0.00 N ATOM 0 H LYS A 864 12.043 10.097 6.878 1.00 0.00 H new ATOM 0 HA LYS A 864 14.480 10.632 5.691 1.00 0.00 H new ATOM 0 HB2 LYS A 864 13.471 10.262 8.494 1.00 0.00 H new ATOM 0 HB3 LYS A 864 15.207 10.325 8.261 1.00 0.00 H new ATOM 0 HG2 LYS A 864 14.855 12.512 6.998 1.00 0.00 H new ATOM 0 HG3 LYS A 864 13.183 12.461 7.518 1.00 0.00 H new ATOM 0 HD2 LYS A 864 14.091 13.726 9.229 1.00 0.00 H new ATOM 0 HD3 LYS A 864 14.242 12.125 9.926 1.00 0.00 H new ATOM 0 HE2 LYS A 864 16.368 13.098 10.260 1.00 0.00 H new ATOM 0 HE3 LYS A 864 16.595 12.042 8.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 864 17.559 14.306 8.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 864 16.478 13.882 7.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 864 15.985 14.943 8.627 1.00 0.00 H new ATOM 1032 N PRO A 865 16.211 8.786 6.221 1.00 0.00 N ATOM 1033 CA PRO A 865 17.112 7.631 6.157 1.00 0.00 C ATOM 1034 C PRO A 865 17.276 6.949 7.510 1.00 0.00 C ATOM 1035 O PRO A 865 17.168 5.727 7.618 1.00 0.00 O ATOM 1036 CB PRO A 865 18.439 8.241 5.701 1.00 0.00 C ATOM 1037 CG PRO A 865 18.375 9.662 6.143 1.00 0.00 C ATOM 1038 CD PRO A 865 16.928 10.060 6.047 1.00 0.00 C ATOM 0 HA PRO A 865 16.733 6.855 5.492 1.00 0.00 H new ATOM 0 HB2 PRO A 865 19.287 7.725 6.150 1.00 0.00 H new ATOM 0 HB3 PRO A 865 18.558 8.168 4.620 1.00 0.00 H new ATOM 0 HG2 PRO A 865 18.743 9.770 7.163 1.00 0.00 H new ATOM 0 HG3 PRO A 865 18.997 10.296 5.511 1.00 0.00 H new ATOM 0 HD2 PRO A 865 16.658 10.782 6.818 1.00 0.00 H new ATOM 0 HD3 PRO A 865 16.701 10.521 5.086 1.00 0.00 H new ATOM 1046 N ALA A 866 17.538 7.745 8.542 1.00 0.00 N ATOM 1047 CA ALA A 866 17.715 7.218 9.889 1.00 0.00 C ATOM 1048 C ALA A 866 16.564 6.294 10.272 1.00 0.00 C ATOM 1049 O ALA A 866 16.772 5.119 10.574 1.00 0.00 O ATOM 1050 CB ALA A 866 17.836 8.357 10.890 1.00 0.00 C ATOM 0 H ALA A 866 17.632 8.758 8.470 1.00 0.00 H new ATOM 0 HA ALA A 866 18.636 6.635 9.907 1.00 0.00 H new ATOM 0 HB1 ALA A 866 17.968 7.948 11.892 1.00 0.00 H new ATOM 0 HB2 ALA A 866 18.696 8.976 10.635 1.00 0.00 H new ATOM 0 HB3 ALA A 866 16.931 8.964 10.862 1.00 0.00 H new ATOM 1056 N ASP A 867 15.350 6.833 10.259 1.00 0.00 N ATOM 1057 CA ASP A 867 14.164 6.057 10.605 1.00 0.00 C ATOM 1058 C ASP A 867 14.028 4.839 9.697 1.00 0.00 C ATOM 1059 O ASP A 867 14.106 3.698 10.155 1.00 0.00 O ATOM 1060 CB ASP A 867 12.911 6.928 10.503 1.00 0.00 C ATOM 1061 CG ASP A 867 12.899 8.047 11.525 1.00 0.00 C ATOM 1062 OD1 ASP A 867 12.664 7.759 12.718 1.00 0.00 O ATOM 1063 OD2 ASP A 867 13.124 9.211 11.133 1.00 0.00 O ATOM 0 H ASP A 867 15.161 7.805 10.013 1.00 0.00 H new ATOM 0 HA ASP A 867 14.273 5.711 11.633 1.00 0.00 H new ATOM 0 HB2 ASP A 867 12.849 7.354 9.502 1.00 0.00 H new ATOM 0 HB3 ASP A 867 12.027 6.305 10.640 1.00 0.00 H new ATOM 1068 N LEU A 868 13.824 5.088 8.408 1.00 0.00 N ATOM 1069 CA LEU A 868 13.676 4.012 7.435 1.00 0.00 C ATOM 1070 C LEU A 868 14.623 2.858 7.750 1.00 0.00 C ATOM 1071 O LEU A 868 14.207 1.702 7.826 1.00 0.00 O ATOM 1072 CB LEU A 868 13.943 4.534 6.022 1.00 0.00 C ATOM 1073 CG LEU A 868 13.505 3.623 4.876 1.00 0.00 C ATOM 1074 CD1 LEU A 868 11.995 3.675 4.699 1.00 0.00 C ATOM 1075 CD2 LEU A 868 14.209 4.014 3.585 1.00 0.00 C ATOM 0 H LEU A 868 13.757 6.026 8.013 1.00 0.00 H new ATOM 0 HA LEU A 868 12.652 3.643 7.492 1.00 0.00 H new ATOM 0 HB2 LEU A 868 13.439 5.494 5.910 1.00 0.00 H new ATOM 0 HB3 LEU A 868 15.012 4.722 5.922 1.00 0.00 H new ATOM 0 HG LEU A 868 13.786 2.599 5.124 1.00 0.00 H new ATOM 0 HD11 LEU A 868 11.702 3.020 3.878 1.00 0.00 H new ATOM 0 HD12 LEU A 868 11.509 3.345 5.618 1.00 0.00 H new ATOM 0 HD13 LEU A 868 11.690 4.697 4.474 1.00 0.00 H new ATOM 0 HD21 LEU A 868 13.885 3.355 2.780 1.00 0.00 H new ATOM 0 HD22 LEU A 868 13.960 5.045 3.332 1.00 0.00 H new ATOM 0 HD23 LEU A 868 15.287 3.923 3.717 1.00 0.00 H new ATOM 1087 N LYS A 869 15.898 3.181 7.935 1.00 0.00 N ATOM 1088 CA LYS A 869 16.905 2.173 8.246 1.00 0.00 C ATOM 1089 C LYS A 869 16.506 1.367 9.478 1.00 0.00 C ATOM 1090 O LYS A 869 16.572 0.138 9.477 1.00 0.00 O ATOM 1091 CB LYS A 869 18.266 2.836 8.476 1.00 0.00 C ATOM 1092 CG LYS A 869 18.983 3.214 7.192 1.00 0.00 C ATOM 1093 CD LYS A 869 20.491 3.207 7.372 1.00 0.00 C ATOM 1094 CE LYS A 869 21.059 1.800 7.264 1.00 0.00 C ATOM 1095 NZ LYS A 869 22.469 1.734 7.738 1.00 0.00 N ATOM 0 H LYS A 869 16.259 4.133 7.875 1.00 0.00 H new ATOM 0 HA LYS A 869 16.977 1.494 7.397 1.00 0.00 H new ATOM 0 HB2 LYS A 869 18.127 3.731 9.082 1.00 0.00 H new ATOM 0 HB3 LYS A 869 18.899 2.158 9.050 1.00 0.00 H new ATOM 0 HG2 LYS A 869 18.707 2.516 6.401 1.00 0.00 H new ATOM 0 HG3 LYS A 869 18.659 4.204 6.871 1.00 0.00 H new ATOM 0 HD2 LYS A 869 20.951 3.845 6.618 1.00 0.00 H new ATOM 0 HD3 LYS A 869 20.744 3.629 8.345 1.00 0.00 H new ATOM 0 HE2 LYS A 869 20.446 1.115 7.850 1.00 0.00 H new ATOM 0 HE3 LYS A 869 21.008 1.466 6.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 869 22.820 0.759 7.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 869 23.059 2.369 7.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 869 22.514 2.028 8.735 1.00 0.00 H new ATOM 1109 N LYS A 870 16.091 2.067 10.529 1.00 0.00 N ATOM 1110 CA LYS A 870 15.678 1.417 11.767 1.00 0.00 C ATOM 1111 C LYS A 870 14.590 0.381 11.501 1.00 0.00 C ATOM 1112 O LYS A 870 14.737 -0.790 11.850 1.00 0.00 O ATOM 1113 CB LYS A 870 15.173 2.457 12.769 1.00 0.00 C ATOM 1114 CG LYS A 870 16.262 3.379 13.289 1.00 0.00 C ATOM 1115 CD LYS A 870 15.678 4.565 14.040 1.00 0.00 C ATOM 1116 CE LYS A 870 16.705 5.200 14.964 1.00 0.00 C ATOM 1117 NZ LYS A 870 16.284 6.557 15.411 1.00 0.00 N ATOM 0 H LYS A 870 16.032 3.085 10.548 1.00 0.00 H new ATOM 0 HA LYS A 870 16.545 0.907 12.187 1.00 0.00 H new ATOM 0 HB2 LYS A 870 14.396 3.057 12.296 1.00 0.00 H new ATOM 0 HB3 LYS A 870 14.711 1.943 13.612 1.00 0.00 H new ATOM 0 HG2 LYS A 870 16.927 2.822 13.948 1.00 0.00 H new ATOM 0 HG3 LYS A 870 16.866 3.737 12.455 1.00 0.00 H new ATOM 0 HD2 LYS A 870 15.320 5.308 13.327 1.00 0.00 H new ATOM 0 HD3 LYS A 870 14.816 4.240 14.622 1.00 0.00 H new ATOM 0 HE2 LYS A 870 16.855 4.561 15.834 1.00 0.00 H new ATOM 0 HE3 LYS A 870 17.664 5.268 14.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 870 17.010 6.956 16.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 870 16.165 7.174 14.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 870 15.382 6.489 15.924 1.00 0.00 H new ATOM 1131 N ARG A 871 13.500 0.821 10.881 1.00 0.00 N ATOM 1132 CA ARG A 871 12.388 -0.069 10.568 1.00 0.00 C ATOM 1133 C ARG A 871 12.886 -1.349 9.904 1.00 0.00 C ATOM 1134 O ARG A 871 12.452 -2.448 10.251 1.00 0.00 O ATOM 1135 CB ARG A 871 11.385 0.636 9.653 1.00 0.00 C ATOM 1136 CG ARG A 871 10.456 1.589 10.387 1.00 0.00 C ATOM 1137 CD ARG A 871 11.230 2.700 11.079 1.00 0.00 C ATOM 1138 NE ARG A 871 11.799 2.261 12.350 1.00 0.00 N ATOM 1139 CZ ARG A 871 12.141 3.093 13.328 1.00 0.00 C ATOM 1140 NH1 ARG A 871 11.972 4.400 13.181 1.00 0.00 N ATOM 1141 NH2 ARG A 871 12.652 2.617 14.457 1.00 0.00 N ATOM 0 H ARG A 871 13.363 1.788 10.586 1.00 0.00 H new ATOM 0 HA ARG A 871 11.893 -0.334 11.502 1.00 0.00 H new ATOM 0 HB2 ARG A 871 11.930 1.190 8.889 1.00 0.00 H new ATOM 0 HB3 ARG A 871 10.787 -0.115 9.136 1.00 0.00 H new ATOM 0 HG2 ARG A 871 9.747 2.023 9.682 1.00 0.00 H new ATOM 0 HG3 ARG A 871 9.874 1.036 11.124 1.00 0.00 H new ATOM 0 HD2 ARG A 871 12.030 3.047 10.424 1.00 0.00 H new ATOM 0 HD3 ARG A 871 10.569 3.549 11.252 1.00 0.00 H new ATOM 0 HE ARG A 871 11.942 1.261 12.495 1.00 0.00 H new ATOM 0 HH11 ARG A 871 11.578 4.769 12.315 1.00 0.00 H new ATOM 0 HH12 ARG A 871 12.235 5.036 13.934 1.00 0.00 H new ATOM 0 HH21 ARG A 871 12.782 1.612 14.574 1.00 0.00 H new ATOM 0 HH22 ARG A 871 12.914 3.256 15.207 1.00 0.00 H new ATOM 1155 N ILE A 872 13.797 -1.198 8.950 1.00 0.00 N ATOM 1156 CA ILE A 872 14.354 -2.343 8.238 1.00 0.00 C ATOM 1157 C ILE A 872 15.089 -3.278 9.192 1.00 0.00 C ATOM 1158 O ILE A 872 14.751 -4.456 9.304 1.00 0.00 O ATOM 1159 CB ILE A 872 15.322 -1.897 7.126 1.00 0.00 C ATOM 1160 CG1 ILE A 872 14.604 -0.986 6.129 1.00 0.00 C ATOM 1161 CG2 ILE A 872 15.908 -3.110 6.418 1.00 0.00 C ATOM 1162 CD1 ILE A 872 15.544 -0.162 5.278 1.00 0.00 C ATOM 0 H ILE A 872 14.166 -0.295 8.651 1.00 0.00 H new ATOM 0 HA ILE A 872 13.515 -2.874 7.787 1.00 0.00 H new ATOM 0 HB ILE A 872 16.139 -1.335 7.579 1.00 0.00 H new ATOM 0 HG12 ILE A 872 13.978 -1.596 5.478 1.00 0.00 H new ATOM 0 HG13 ILE A 872 13.939 -0.316 6.675 1.00 0.00 H new ATOM 0 HG21 ILE A 872 16.590 -2.780 5.635 1.00 0.00 H new ATOM 0 HG22 ILE A 872 16.451 -3.724 7.137 1.00 0.00 H new ATOM 0 HG23 ILE A 872 15.103 -3.697 5.975 1.00 0.00 H new ATOM 0 HD11 ILE A 872 14.966 0.460 4.595 1.00 0.00 H new ATOM 0 HD12 ILE A 872 16.153 0.474 5.920 1.00 0.00 H new ATOM 0 HD13 ILE A 872 16.192 -0.825 4.705 1.00 0.00 H new ATOM 1174 N GLU A 873 16.094 -2.745 9.879 1.00 0.00 N ATOM 1175 CA GLU A 873 16.875 -3.533 10.824 1.00 0.00 C ATOM 1176 C GLU A 873 15.967 -4.235 11.830 1.00 0.00 C ATOM 1177 O GLU A 873 16.010 -5.457 11.974 1.00 0.00 O ATOM 1178 CB GLU A 873 17.876 -2.641 11.562 1.00 0.00 C ATOM 1179 CG GLU A 873 18.952 -2.059 10.660 1.00 0.00 C ATOM 1180 CD GLU A 873 20.200 -1.660 11.423 1.00 0.00 C ATOM 1181 OE1 GLU A 873 20.418 -2.199 12.529 1.00 0.00 O ATOM 1182 OE2 GLU A 873 20.960 -0.809 10.914 1.00 0.00 O ATOM 0 H GLU A 873 16.386 -1.771 9.799 1.00 0.00 H new ATOM 0 HA GLU A 873 17.420 -4.291 10.261 1.00 0.00 H new ATOM 0 HB2 GLU A 873 17.337 -1.825 12.044 1.00 0.00 H new ATOM 0 HB3 GLU A 873 18.351 -3.220 12.354 1.00 0.00 H new ATOM 0 HG2 GLU A 873 19.216 -2.791 9.897 1.00 0.00 H new ATOM 0 HG3 GLU A 873 18.553 -1.187 10.141 1.00 0.00 H new ATOM 1189 N SER A 874 15.145 -3.453 12.522 1.00 0.00 N ATOM 1190 CA SER A 874 14.229 -3.998 13.517 1.00 0.00 C ATOM 1191 C SER A 874 13.506 -5.227 12.975 1.00 0.00 C ATOM 1192 O SER A 874 13.519 -6.293 13.593 1.00 0.00 O ATOM 1193 CB SER A 874 13.209 -2.938 13.938 1.00 0.00 C ATOM 1194 OG SER A 874 13.789 -1.996 14.823 1.00 0.00 O ATOM 0 H SER A 874 15.094 -2.440 12.412 1.00 0.00 H new ATOM 0 HA SER A 874 14.814 -4.296 14.387 1.00 0.00 H new ATOM 0 HB2 SER A 874 12.827 -2.425 13.055 1.00 0.00 H new ATOM 0 HB3 SER A 874 12.358 -3.419 14.420 1.00 0.00 H new ATOM 0 HG SER A 874 13.118 -1.328 15.076 1.00 0.00 H new ATOM 1200 N LEU A 875 12.877 -5.072 11.815 1.00 0.00 N ATOM 1201 CA LEU A 875 12.148 -6.169 11.187 1.00 0.00 C ATOM 1202 C LEU A 875 13.028 -7.408 11.066 1.00 0.00 C ATOM 1203 O LEU A 875 12.649 -8.496 11.501 1.00 0.00 O ATOM 1204 CB LEU A 875 11.646 -5.748 9.805 1.00 0.00 C ATOM 1205 CG LEU A 875 10.526 -4.707 9.785 1.00 0.00 C ATOM 1206 CD1 LEU A 875 10.435 -4.047 8.418 1.00 0.00 C ATOM 1207 CD2 LEU A 875 9.198 -5.345 10.162 1.00 0.00 C ATOM 0 H LEU A 875 12.857 -4.198 11.290 1.00 0.00 H new ATOM 0 HA LEU A 875 11.293 -6.414 11.818 1.00 0.00 H new ATOM 0 HB2 LEU A 875 12.490 -5.355 9.238 1.00 0.00 H new ATOM 0 HB3 LEU A 875 11.297 -6.638 9.281 1.00 0.00 H new ATOM 0 HG LEU A 875 10.758 -3.938 10.522 1.00 0.00 H new ATOM 0 HD11 LEU A 875 9.633 -3.309 8.423 1.00 0.00 H new ATOM 0 HD12 LEU A 875 11.380 -3.554 8.188 1.00 0.00 H new ATOM 0 HD13 LEU A 875 10.227 -4.804 7.662 1.00 0.00 H new ATOM 0 HD21 LEU A 875 8.413 -4.589 10.142 1.00 0.00 H new ATOM 0 HD22 LEU A 875 8.959 -6.135 9.450 1.00 0.00 H new ATOM 0 HD23 LEU A 875 9.269 -5.768 11.164 1.00 0.00 H new ATOM 1219 N ILE A 876 14.205 -7.236 10.474 1.00 0.00 N ATOM 1220 CA ILE A 876 15.140 -8.341 10.298 1.00 0.00 C ATOM 1221 C ILE A 876 15.380 -9.072 11.615 1.00 0.00 C ATOM 1222 O ILE A 876 15.479 -10.299 11.646 1.00 0.00 O ATOM 1223 CB ILE A 876 16.491 -7.852 9.743 1.00 0.00 C ATOM 1224 CG1 ILE A 876 16.291 -7.160 8.393 1.00 0.00 C ATOM 1225 CG2 ILE A 876 17.461 -9.016 9.609 1.00 0.00 C ATOM 1226 CD1 ILE A 876 17.563 -6.576 7.819 1.00 0.00 C ATOM 0 H ILE A 876 14.534 -6.342 10.108 1.00 0.00 H new ATOM 0 HA ILE A 876 14.688 -9.026 9.581 1.00 0.00 H new ATOM 0 HB ILE A 876 16.915 -7.130 10.441 1.00 0.00 H new ATOM 0 HG12 ILE A 876 15.878 -7.877 7.684 1.00 0.00 H new ATOM 0 HG13 ILE A 876 15.555 -6.364 8.507 1.00 0.00 H new ATOM 0 HG21 ILE A 876 18.411 -8.654 9.216 1.00 0.00 H new ATOM 0 HG22 ILE A 876 17.622 -9.470 10.587 1.00 0.00 H new ATOM 0 HG23 ILE A 876 17.046 -9.759 8.928 1.00 0.00 H new ATOM 0 HD11 ILE A 876 17.346 -6.102 6.862 1.00 0.00 H new ATOM 0 HD12 ILE A 876 17.966 -5.834 8.509 1.00 0.00 H new ATOM 0 HD13 ILE A 876 18.294 -7.371 7.672 1.00 0.00 H new ATOM 1238 N ASP A 877 15.469 -8.312 12.700 1.00 0.00 N ATOM 1239 CA ASP A 877 15.694 -8.888 14.021 1.00 0.00 C ATOM 1240 C ASP A 877 14.421 -9.537 14.554 1.00 0.00 C ATOM 1241 O ASP A 877 14.472 -10.390 15.441 1.00 0.00 O ATOM 1242 CB ASP A 877 16.179 -7.812 14.994 1.00 0.00 C ATOM 1243 CG ASP A 877 17.030 -8.383 16.111 1.00 0.00 C ATOM 1244 OD1 ASP A 877 17.844 -9.288 15.834 1.00 0.00 O ATOM 1245 OD2 ASP A 877 16.882 -7.924 17.263 1.00 0.00 O ATOM 0 H ASP A 877 15.389 -7.295 12.691 1.00 0.00 H new ATOM 0 HA ASP A 877 16.462 -9.657 13.930 1.00 0.00 H new ATOM 0 HB2 ASP A 877 16.755 -7.065 14.448 1.00 0.00 H new ATOM 0 HB3 ASP A 877 15.318 -7.299 15.423 1.00 0.00 H new ATOM 1250 N ARG A 878 13.280 -9.127 14.009 1.00 0.00 N ATOM 1251 CA ARG A 878 11.994 -9.667 14.432 1.00 0.00 C ATOM 1252 C ARG A 878 11.697 -10.985 13.721 1.00 0.00 C ATOM 1253 O ARG A 878 10.574 -11.487 13.767 1.00 0.00 O ATOM 1254 CB ARG A 878 10.876 -8.661 14.150 1.00 0.00 C ATOM 1255 CG ARG A 878 10.936 -7.423 15.029 1.00 0.00 C ATOM 1256 CD ARG A 878 9.964 -6.354 14.553 1.00 0.00 C ATOM 1257 NE ARG A 878 10.075 -5.126 15.336 1.00 0.00 N ATOM 1258 CZ ARG A 878 9.606 -4.997 16.572 1.00 0.00 C ATOM 1259 NH1 ARG A 878 8.999 -6.017 17.164 1.00 0.00 N ATOM 1260 NH2 ARG A 878 9.746 -3.847 17.219 1.00 0.00 N ATOM 0 H ARG A 878 13.220 -8.423 13.274 1.00 0.00 H new ATOM 0 HA ARG A 878 12.043 -9.855 15.505 1.00 0.00 H new ATOM 0 HB2 ARG A 878 10.927 -8.357 13.105 1.00 0.00 H new ATOM 0 HB3 ARG A 878 9.913 -9.151 14.292 1.00 0.00 H new ATOM 0 HG2 ARG A 878 10.704 -7.695 16.059 1.00 0.00 H new ATOM 0 HG3 ARG A 878 11.950 -7.022 15.026 1.00 0.00 H new ATOM 0 HD2 ARG A 878 10.154 -6.133 13.503 1.00 0.00 H new ATOM 0 HD3 ARG A 878 8.945 -6.735 14.619 1.00 0.00 H new ATOM 0 HE ARG A 878 10.538 -4.323 14.910 1.00 0.00 H new ATOM 0 HH11 ARG A 878 8.892 -6.903 16.670 1.00 0.00 H new ATOM 0 HH12 ARG A 878 8.640 -5.915 18.113 1.00 0.00 H new ATOM 0 HH21 ARG A 878 10.214 -3.061 16.767 1.00 0.00 H new ATOM 0 HH22 ARG A 878 9.386 -3.749 18.168 1.00 0.00 H new ATOM 1274 N ASP A 879 12.711 -11.538 13.065 1.00 0.00 N ATOM 1275 CA ASP A 879 12.560 -12.797 12.345 1.00 0.00 C ATOM 1276 C ASP A 879 11.673 -12.618 11.117 1.00 0.00 C ATOM 1277 O ASP A 879 10.924 -13.521 10.743 1.00 0.00 O ATOM 1278 CB ASP A 879 11.969 -13.867 13.265 1.00 0.00 C ATOM 1279 CG ASP A 879 12.060 -15.258 12.668 1.00 0.00 C ATOM 1280 OD1 ASP A 879 12.856 -15.448 11.725 1.00 0.00 O ATOM 1281 OD2 ASP A 879 11.335 -16.156 13.145 1.00 0.00 O ATOM 0 H ASP A 879 13.646 -11.134 13.017 1.00 0.00 H new ATOM 0 HA ASP A 879 13.547 -13.118 12.014 1.00 0.00 H new ATOM 0 HB2 ASP A 879 12.493 -13.850 14.221 1.00 0.00 H new ATOM 0 HB3 ASP A 879 10.925 -13.630 13.469 1.00 0.00 H new ATOM 1286 N TYR A 880 11.762 -11.448 10.495 1.00 0.00 N ATOM 1287 CA TYR A 880 10.966 -11.149 9.311 1.00 0.00 C ATOM 1288 C TYR A 880 11.793 -11.317 8.041 1.00 0.00 C ATOM 1289 O TYR A 880 11.274 -11.704 6.995 1.00 0.00 O ATOM 1290 CB TYR A 880 10.413 -9.725 9.389 1.00 0.00 C ATOM 1291 CG TYR A 880 9.188 -9.597 10.265 1.00 0.00 C ATOM 1292 CD1 TYR A 880 9.255 -9.855 11.629 1.00 0.00 C ATOM 1293 CD2 TYR A 880 7.962 -9.221 9.730 1.00 0.00 C ATOM 1294 CE1 TYR A 880 8.138 -9.741 12.434 1.00 0.00 C ATOM 1295 CE2 TYR A 880 6.840 -9.103 10.527 1.00 0.00 C ATOM 1296 CZ TYR A 880 6.933 -9.364 11.878 1.00 0.00 C ATOM 1297 OH TYR A 880 5.817 -9.249 12.675 1.00 0.00 O ATOM 0 H TYR A 880 12.378 -10.691 10.791 1.00 0.00 H new ATOM 0 HA TYR A 880 10.135 -11.853 9.276 1.00 0.00 H new ATOM 0 HB2 TYR A 880 11.191 -9.063 9.768 1.00 0.00 H new ATOM 0 HB3 TYR A 880 10.167 -9.384 8.383 1.00 0.00 H new ATOM 0 HD1 TYR A 880 10.197 -10.150 12.067 1.00 0.00 H new ATOM 0 HD2 TYR A 880 7.885 -9.017 8.672 1.00 0.00 H new ATOM 0 HE1 TYR A 880 8.208 -9.946 13.492 1.00 0.00 H new ATOM 0 HE2 TYR A 880 5.895 -8.808 10.095 1.00 0.00 H new ATOM 0 HH TYR A 880 5.052 -8.974 12.128 1.00 0.00 H new ATOM 1307 N MET A 881 13.086 -11.022 8.141 1.00 0.00 N ATOM 1308 CA MET A 881 13.987 -11.142 7.001 1.00 0.00 C ATOM 1309 C MET A 881 15.388 -11.540 7.455 1.00 0.00 C ATOM 1310 O MET A 881 15.743 -11.370 8.620 1.00 0.00 O ATOM 1311 CB MET A 881 14.045 -9.823 6.229 1.00 0.00 C ATOM 1312 CG MET A 881 12.678 -9.292 5.829 1.00 0.00 C ATOM 1313 SD MET A 881 11.944 -10.218 4.466 1.00 0.00 S ATOM 1314 CE MET A 881 12.981 -9.692 3.103 1.00 0.00 C ATOM 0 H MET A 881 13.532 -10.698 8.999 1.00 0.00 H new ATOM 0 HA MET A 881 13.601 -11.922 6.345 1.00 0.00 H new ATOM 0 HB2 MET A 881 14.551 -9.076 6.840 1.00 0.00 H new ATOM 0 HB3 MET A 881 14.648 -9.963 5.332 1.00 0.00 H new ATOM 0 HG2 MET A 881 12.011 -9.331 6.690 1.00 0.00 H new ATOM 0 HG3 MET A 881 12.769 -8.244 5.544 1.00 0.00 H new ATOM 0 HE1 MET A 881 12.354 -9.336 2.285 1.00 0.00 H new ATOM 0 HE2 MET A 881 13.637 -8.887 3.435 1.00 0.00 H new ATOM 0 HE3 MET A 881 13.583 -10.533 2.759 1.00 0.00 H new ATOM 1324 N GLU A 882 16.177 -12.072 6.527 1.00 0.00 N ATOM 1325 CA GLU A 882 17.538 -12.495 6.834 1.00 0.00 C ATOM 1326 C GLU A 882 18.527 -11.921 5.823 1.00 0.00 C ATOM 1327 O GLU A 882 18.190 -11.714 4.657 1.00 0.00 O ATOM 1328 CB GLU A 882 17.631 -14.023 6.844 1.00 0.00 C ATOM 1329 CG GLU A 882 17.463 -14.651 5.471 1.00 0.00 C ATOM 1330 CD GLU A 882 17.750 -16.140 5.472 1.00 0.00 C ATOM 1331 OE1 GLU A 882 16.847 -16.917 5.846 1.00 0.00 O ATOM 1332 OE2 GLU A 882 18.877 -16.529 5.100 1.00 0.00 O ATOM 0 H GLU A 882 15.897 -12.220 5.557 1.00 0.00 H new ATOM 0 HA GLU A 882 17.795 -12.116 7.823 1.00 0.00 H new ATOM 0 HB2 GLU A 882 18.597 -14.317 7.253 1.00 0.00 H new ATOM 0 HB3 GLU A 882 16.867 -14.421 7.512 1.00 0.00 H new ATOM 0 HG2 GLU A 882 16.445 -14.481 5.120 1.00 0.00 H new ATOM 0 HG3 GLU A 882 18.130 -14.157 4.765 1.00 0.00 H new ATOM 1339 N ARG A 883 19.749 -11.666 6.280 1.00 0.00 N ATOM 1340 CA ARG A 883 20.787 -11.115 5.417 1.00 0.00 C ATOM 1341 C ARG A 883 21.357 -12.190 4.496 1.00 0.00 C ATOM 1342 O ARG A 883 22.035 -13.112 4.948 1.00 0.00 O ATOM 1343 CB ARG A 883 21.908 -10.503 6.260 1.00 0.00 C ATOM 1344 CG ARG A 883 21.626 -9.079 6.708 1.00 0.00 C ATOM 1345 CD ARG A 883 22.496 -8.684 7.891 1.00 0.00 C ATOM 1346 NE ARG A 883 23.820 -8.234 7.471 1.00 0.00 N ATOM 1347 CZ ARG A 883 24.844 -9.054 7.264 1.00 0.00 C ATOM 1348 NH1 ARG A 883 24.698 -10.360 7.438 1.00 0.00 N ATOM 1349 NH2 ARG A 883 26.019 -8.568 6.882 1.00 0.00 N ATOM 0 H ARG A 883 20.044 -11.832 7.242 1.00 0.00 H new ATOM 0 HA ARG A 883 20.337 -10.336 4.801 1.00 0.00 H new ATOM 0 HB2 ARG A 883 22.071 -11.126 7.140 1.00 0.00 H new ATOM 0 HB3 ARG A 883 22.833 -10.517 5.684 1.00 0.00 H new ATOM 0 HG2 ARG A 883 21.804 -8.394 5.879 1.00 0.00 H new ATOM 0 HG3 ARG A 883 20.575 -8.984 6.980 1.00 0.00 H new ATOM 0 HD2 ARG A 883 22.005 -7.890 8.453 1.00 0.00 H new ATOM 0 HD3 ARG A 883 22.599 -9.534 8.565 1.00 0.00 H new ATOM 0 HE ARG A 883 23.967 -7.235 7.329 1.00 0.00 H new ATOM 0 HH11 ARG A 883 23.797 -10.738 7.732 1.00 0.00 H new ATOM 0 HH12 ARG A 883 25.486 -10.987 7.278 1.00 0.00 H new ATOM 0 HH21 ARG A 883 26.136 -7.564 6.747 1.00 0.00 H new ATOM 0 HH22 ARG A 883 26.805 -9.199 6.723 1.00 0.00 H new ATOM 1363 N ASP A 884 21.076 -12.064 3.204 1.00 0.00 N ATOM 1364 CA ASP A 884 21.560 -13.024 2.219 1.00 0.00 C ATOM 1365 C ASP A 884 23.066 -13.226 2.353 1.00 0.00 C ATOM 1366 O ASP A 884 23.845 -12.282 2.218 1.00 0.00 O ATOM 1367 CB ASP A 884 21.220 -12.551 0.805 1.00 0.00 C ATOM 1368 CG ASP A 884 21.704 -13.516 -0.260 1.00 0.00 C ATOM 1369 OD1 ASP A 884 22.439 -14.464 0.088 1.00 0.00 O ATOM 1370 OD2 ASP A 884 21.347 -13.323 -1.441 1.00 0.00 O ATOM 0 H ASP A 884 20.515 -11.306 2.814 1.00 0.00 H new ATOM 0 HA ASP A 884 21.066 -13.978 2.403 1.00 0.00 H new ATOM 0 HB2 ASP A 884 20.141 -12.428 0.716 1.00 0.00 H new ATOM 0 HB3 ASP A 884 21.668 -11.572 0.635 1.00 0.00 H new ATOM 1375 N LYS A 885 23.470 -14.463 2.619 1.00 0.00 N ATOM 1376 CA LYS A 885 24.883 -14.791 2.771 1.00 0.00 C ATOM 1377 C LYS A 885 25.725 -14.065 1.727 1.00 0.00 C ATOM 1378 O LYS A 885 26.913 -13.821 1.936 1.00 0.00 O ATOM 1379 CB LYS A 885 25.093 -16.302 2.650 1.00 0.00 C ATOM 1380 CG LYS A 885 24.993 -16.818 1.225 1.00 0.00 C ATOM 1381 CD LYS A 885 23.564 -17.187 0.864 1.00 0.00 C ATOM 1382 CE LYS A 885 23.407 -17.409 -0.632 1.00 0.00 C ATOM 1383 NZ LYS A 885 21.979 -17.361 -1.053 1.00 0.00 N ATOM 0 H LYS A 885 22.839 -15.256 2.734 1.00 0.00 H new ATOM 0 HA LYS A 885 25.202 -14.464 3.761 1.00 0.00 H new ATOM 0 HB2 LYS A 885 26.073 -16.557 3.052 1.00 0.00 H new ATOM 0 HB3 LYS A 885 24.353 -16.814 3.265 1.00 0.00 H new ATOM 0 HG2 LYS A 885 25.358 -16.057 0.535 1.00 0.00 H new ATOM 0 HG3 LYS A 885 25.636 -17.690 1.107 1.00 0.00 H new ATOM 0 HD2 LYS A 885 23.274 -18.091 1.399 1.00 0.00 H new ATOM 0 HD3 LYS A 885 22.889 -16.395 1.188 1.00 0.00 H new ATOM 0 HE2 LYS A 885 23.971 -16.649 -1.173 1.00 0.00 H new ATOM 0 HE3 LYS A 885 23.833 -18.375 -0.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 885 21.911 -17.550 -2.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 885 21.439 -18.080 -0.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 885 21.588 -16.419 -0.849 1.00 0.00 H new ATOM 1397 N GLU A 886 25.102 -13.722 0.604 1.00 0.00 N ATOM 1398 CA GLU A 886 25.796 -13.024 -0.471 1.00 0.00 C ATOM 1399 C GLU A 886 26.128 -11.591 -0.064 1.00 0.00 C ATOM 1400 O GLU A 886 27.233 -11.107 -0.302 1.00 0.00 O ATOM 1401 CB GLU A 886 24.942 -13.020 -1.741 1.00 0.00 C ATOM 1402 CG GLU A 886 25.180 -14.223 -2.638 1.00 0.00 C ATOM 1403 CD GLU A 886 24.900 -13.926 -4.098 1.00 0.00 C ATOM 1404 OE1 GLU A 886 25.655 -13.131 -4.696 1.00 0.00 O ATOM 1405 OE2 GLU A 886 23.927 -14.488 -4.643 1.00 0.00 O ATOM 0 H GLU A 886 24.119 -13.916 0.415 1.00 0.00 H new ATOM 0 HA GLU A 886 26.728 -13.552 -0.670 1.00 0.00 H new ATOM 0 HB2 GLU A 886 23.889 -12.989 -1.461 1.00 0.00 H new ATOM 0 HB3 GLU A 886 25.149 -12.110 -2.305 1.00 0.00 H new ATOM 0 HG2 GLU A 886 26.213 -14.553 -2.530 1.00 0.00 H new ATOM 0 HG3 GLU A 886 24.546 -15.047 -2.311 1.00 0.00 H new ATOM 1412 N ASN A 887 25.161 -10.918 0.552 1.00 0.00 N ATOM 1413 CA ASN A 887 25.350 -9.540 0.992 1.00 0.00 C ATOM 1414 C ASN A 887 24.205 -9.098 1.898 1.00 0.00 C ATOM 1415 O ASN A 887 23.080 -9.588 1.804 1.00 0.00 O ATOM 1416 CB ASN A 887 25.449 -8.607 -0.216 1.00 0.00 C ATOM 1417 CG ASN A 887 26.854 -8.542 -0.783 1.00 0.00 C ATOM 1418 OD1 ASN A 887 27.837 -8.590 -0.043 1.00 0.00 O ATOM 1419 ND2 ASN A 887 26.955 -8.434 -2.103 1.00 0.00 N ATOM 0 H ASN A 887 24.240 -11.304 0.758 1.00 0.00 H new ATOM 0 HA ASN A 887 26.279 -9.489 1.559 1.00 0.00 H new ATOM 0 HB2 ASN A 887 24.763 -8.947 -0.991 1.00 0.00 H new ATOM 0 HB3 ASN A 887 25.131 -7.606 0.075 1.00 0.00 H new ATOM 0 HD21 ASN A 887 27.875 -8.387 -2.542 1.00 0.00 H new ATOM 0 HD22 ASN A 887 26.113 -8.398 -2.678 1.00 0.00 H new ATOM 1426 N PRO A 888 24.497 -8.147 2.799 1.00 0.00 N ATOM 1427 CA PRO A 888 23.506 -7.616 3.739 1.00 0.00 C ATOM 1428 C PRO A 888 22.444 -6.770 3.046 1.00 0.00 C ATOM 1429 O PRO A 888 21.350 -6.575 3.573 1.00 0.00 O ATOM 1430 CB PRO A 888 24.343 -6.753 4.687 1.00 0.00 C ATOM 1431 CG PRO A 888 25.537 -6.361 3.887 1.00 0.00 C ATOM 1432 CD PRO A 888 25.818 -7.518 2.968 1.00 0.00 C ATOM 0 HA PRO A 888 22.953 -8.411 4.240 1.00 0.00 H new ATOM 0 HB2 PRO A 888 23.786 -5.878 5.022 1.00 0.00 H new ATOM 0 HB3 PRO A 888 24.630 -7.309 5.580 1.00 0.00 H new ATOM 0 HG2 PRO A 888 25.345 -5.450 3.320 1.00 0.00 H new ATOM 0 HG3 PRO A 888 26.391 -6.160 4.534 1.00 0.00 H new ATOM 0 HD2 PRO A 888 26.229 -7.184 2.015 1.00 0.00 H new ATOM 0 HD3 PRO A 888 26.540 -8.210 3.402 1.00 0.00 H new ATOM 1440 N ASN A 889 22.774 -6.270 1.859 1.00 0.00 N ATOM 1441 CA ASN A 889 21.848 -5.444 1.093 1.00 0.00 C ATOM 1442 C ASN A 889 20.622 -6.249 0.673 1.00 0.00 C ATOM 1443 O ASN A 889 19.517 -5.714 0.588 1.00 0.00 O ATOM 1444 CB ASN A 889 22.545 -4.872 -0.143 1.00 0.00 C ATOM 1445 CG ASN A 889 23.718 -3.980 0.215 1.00 0.00 C ATOM 1446 OD1 ASN A 889 23.934 -3.660 1.384 1.00 0.00 O ATOM 1447 ND2 ASN A 889 24.481 -3.574 -0.793 1.00 0.00 N ATOM 0 H ASN A 889 23.676 -6.423 1.407 1.00 0.00 H new ATOM 0 HA ASN A 889 21.521 -4.622 1.730 1.00 0.00 H new ATOM 0 HB2 ASN A 889 22.894 -5.691 -0.772 1.00 0.00 H new ATOM 0 HB3 ASN A 889 21.826 -4.303 -0.731 1.00 0.00 H new ATOM 0 HD21 ASN A 889 25.284 -2.972 -0.614 1.00 0.00 H new ATOM 0 HD22 ASN A 889 24.264 -3.865 -1.746 1.00 0.00 H new ATOM 1454 N GLN A 890 20.826 -7.536 0.412 1.00 0.00 N ATOM 1455 CA GLN A 890 19.737 -8.414 0.001 1.00 0.00 C ATOM 1456 C GLN A 890 19.110 -9.105 1.207 1.00 0.00 C ATOM 1457 O GLN A 890 19.810 -9.694 2.031 1.00 0.00 O ATOM 1458 CB GLN A 890 20.245 -9.459 -0.994 1.00 0.00 C ATOM 1459 CG GLN A 890 19.202 -10.501 -1.367 1.00 0.00 C ATOM 1460 CD GLN A 890 19.511 -11.192 -2.680 1.00 0.00 C ATOM 1461 OE1 GLN A 890 19.395 -12.515 -2.695 1.00 0.00 O flip ATOM 1462 NE2 GLN A 890 19.851 -10.544 -3.671 1.00 0.00 N flip ATOM 0 H GLN A 890 21.735 -7.994 0.478 1.00 0.00 H new ATOM 0 HA GLN A 890 18.974 -7.804 -0.482 1.00 0.00 H new ATOM 0 HB2 GLN A 890 20.581 -8.953 -1.899 1.00 0.00 H new ATOM 0 HB3 GLN A 890 21.113 -9.962 -0.568 1.00 0.00 H new ATOM 0 HG2 GLN A 890 19.139 -11.247 -0.574 1.00 0.00 H new ATOM 0 HG3 GLN A 890 18.224 -10.023 -1.433 1.00 0.00 H new ATOM 0 HE21 GLN A 890 19.927 -9.528 -3.615 1.00 0.00 H new ATOM 0 HE22 GLN A 890 20.056 -11.023 -4.548 1.00 0.00 H new ATOM 1471 N TYR A 891 17.788 -9.029 1.305 1.00 0.00 N ATOM 1472 CA TYR A 891 17.066 -9.645 2.412 1.00 0.00 C ATOM 1473 C TYR A 891 16.140 -10.749 1.912 1.00 0.00 C ATOM 1474 O TYR A 891 15.470 -10.598 0.891 1.00 0.00 O ATOM 1475 CB TYR A 891 16.258 -8.591 3.171 1.00 0.00 C ATOM 1476 CG TYR A 891 17.064 -7.372 3.558 1.00 0.00 C ATOM 1477 CD1 TYR A 891 18.241 -7.496 4.286 1.00 0.00 C ATOM 1478 CD2 TYR A 891 16.650 -6.096 3.195 1.00 0.00 C ATOM 1479 CE1 TYR A 891 18.981 -6.385 4.642 1.00 0.00 C ATOM 1480 CE2 TYR A 891 17.384 -4.980 3.546 1.00 0.00 C ATOM 1481 CZ TYR A 891 18.548 -5.129 4.270 1.00 0.00 C ATOM 1482 OH TYR A 891 19.283 -4.020 4.622 1.00 0.00 O ATOM 0 H TYR A 891 17.194 -8.547 0.631 1.00 0.00 H new ATOM 0 HA TYR A 891 17.798 -10.088 3.087 1.00 0.00 H new ATOM 0 HB2 TYR A 891 15.415 -8.278 2.554 1.00 0.00 H new ATOM 0 HB3 TYR A 891 15.843 -9.043 4.072 1.00 0.00 H new ATOM 0 HD1 TYR A 891 18.583 -8.478 4.579 1.00 0.00 H new ATOM 0 HD2 TYR A 891 15.738 -5.975 2.629 1.00 0.00 H new ATOM 0 HE1 TYR A 891 19.893 -6.499 5.208 1.00 0.00 H new ATOM 0 HE2 TYR A 891 17.048 -3.996 3.255 1.00 0.00 H new ATOM 0 HH TYR A 891 20.231 -4.261 4.679 1.00 0.00 H new ATOM 1492 N ASN A 892 16.108 -11.861 2.640 1.00 0.00 N ATOM 1493 CA ASN A 892 15.265 -12.992 2.271 1.00 0.00 C ATOM 1494 C ASN A 892 14.044 -13.080 3.182 1.00 0.00 C ATOM 1495 O ASN A 892 14.105 -12.712 4.355 1.00 0.00 O ATOM 1496 CB ASN A 892 16.064 -14.295 2.342 1.00 0.00 C ATOM 1497 CG ASN A 892 16.875 -14.545 1.086 1.00 0.00 C ATOM 1498 OD1 ASN A 892 16.572 -15.450 0.308 1.00 0.00 O ATOM 1499 ND2 ASN A 892 17.913 -13.742 0.882 1.00 0.00 N ATOM 0 H ASN A 892 16.656 -12.003 3.489 1.00 0.00 H new ATOM 0 HA ASN A 892 14.922 -12.840 1.248 1.00 0.00 H new ATOM 0 HB2 ASN A 892 16.733 -14.262 3.202 1.00 0.00 H new ATOM 0 HB3 ASN A 892 15.380 -15.129 2.502 1.00 0.00 H new ATOM 0 HD21 ASN A 892 18.496 -13.862 0.054 1.00 0.00 H new ATOM 0 HD22 ASN A 892 18.127 -13.005 1.554 1.00 0.00 H new ATOM 1506 N TYR A 893 12.938 -13.571 2.634 1.00 0.00 N ATOM 1507 CA TYR A 893 11.703 -13.706 3.397 1.00 0.00 C ATOM 1508 C TYR A 893 11.733 -14.960 4.265 1.00 0.00 C ATOM 1509 O TYR A 893 12.013 -16.057 3.781 1.00 0.00 O ATOM 1510 CB TYR A 893 10.500 -13.755 2.453 1.00 0.00 C ATOM 1511 CG TYR A 893 9.172 -13.580 3.156 1.00 0.00 C ATOM 1512 CD1 TYR A 893 8.982 -12.560 4.080 1.00 0.00 C ATOM 1513 CD2 TYR A 893 8.108 -14.435 2.896 1.00 0.00 C ATOM 1514 CE1 TYR A 893 7.771 -12.397 4.725 1.00 0.00 C ATOM 1515 CE2 TYR A 893 6.894 -14.279 3.535 1.00 0.00 C ATOM 1516 CZ TYR A 893 6.730 -13.258 4.449 1.00 0.00 C ATOM 1517 OH TYR A 893 5.522 -13.100 5.088 1.00 0.00 O ATOM 0 H TYR A 893 12.871 -13.882 1.665 1.00 0.00 H new ATOM 0 HA TYR A 893 11.611 -12.837 4.049 1.00 0.00 H new ATOM 0 HB2 TYR A 893 10.608 -12.975 1.699 1.00 0.00 H new ATOM 0 HB3 TYR A 893 10.500 -14.710 1.927 1.00 0.00 H new ATOM 0 HD1 TYR A 893 9.795 -11.883 4.298 1.00 0.00 H new ATOM 0 HD2 TYR A 893 8.233 -15.235 2.182 1.00 0.00 H new ATOM 0 HE1 TYR A 893 7.641 -11.599 5.441 1.00 0.00 H new ATOM 0 HE2 TYR A 893 6.077 -14.952 3.321 1.00 0.00 H new ATOM 0 HH TYR A 893 5.411 -13.807 5.757 1.00 0.00 H new ATOM 1527 N ILE A 894 11.443 -14.788 5.550 1.00 0.00 N ATOM 1528 CA ILE A 894 11.434 -15.905 6.487 1.00 0.00 C ATOM 1529 C ILE A 894 10.086 -16.024 7.190 1.00 0.00 C ATOM 1530 O ILE A 894 9.690 -17.108 7.615 1.00 0.00 O ATOM 1531 CB ILE A 894 12.542 -15.759 7.547 1.00 0.00 C ATOM 1532 CG1 ILE A 894 12.692 -14.294 7.961 1.00 0.00 C ATOM 1533 CG2 ILE A 894 13.860 -16.303 7.015 1.00 0.00 C ATOM 1534 CD1 ILE A 894 13.861 -14.045 8.888 1.00 0.00 C ATOM 0 H ILE A 894 11.211 -13.886 5.966 1.00 0.00 H new ATOM 0 HA ILE A 894 11.617 -16.807 5.903 1.00 0.00 H new ATOM 0 HB ILE A 894 12.261 -16.338 8.427 1.00 0.00 H new ATOM 0 HG12 ILE A 894 12.811 -13.682 7.067 1.00 0.00 H new ATOM 0 HG13 ILE A 894 11.775 -13.967 8.450 1.00 0.00 H new ATOM 0 HG21 ILE A 894 14.633 -16.193 7.776 1.00 0.00 H new ATOM 0 HG22 ILE A 894 13.744 -17.358 6.766 1.00 0.00 H new ATOM 0 HG23 ILE A 894 14.148 -15.749 6.122 1.00 0.00 H new ATOM 0 HD11 ILE A 894 13.906 -12.985 9.140 1.00 0.00 H new ATOM 0 HD12 ILE A 894 13.734 -14.630 9.799 1.00 0.00 H new ATOM 0 HD13 ILE A 894 14.787 -14.340 8.394 1.00 0.00 H new ATOM 1546 N ALA A 895 9.385 -14.901 7.306 1.00 0.00 N ATOM 1547 CA ALA A 895 8.079 -14.879 7.953 1.00 0.00 C ATOM 1548 C ALA A 895 7.048 -15.650 7.136 1.00 0.00 C ATOM 1549 O ALA A 895 6.361 -15.079 6.289 1.00 0.00 O ATOM 1550 CB ALA A 895 7.620 -13.444 8.167 1.00 0.00 C ATOM 0 H ALA A 895 9.700 -13.994 6.960 1.00 0.00 H new ATOM 0 HA ALA A 895 8.174 -15.367 8.923 1.00 0.00 H new ATOM 0 HB1 ALA A 895 6.643 -13.443 8.651 1.00 0.00 H new ATOM 0 HB2 ALA A 895 8.339 -12.922 8.799 1.00 0.00 H new ATOM 0 HB3 ALA A 895 7.549 -12.937 7.204 1.00 0.00 H new