USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 594 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 840 MET CE :methyl -134:sc= -1.26 (180deg=-5.09!) USER MOD Set 1.2: A 881 MET CE :methyl 176:sc= -5.28! (180deg=-5.44!) USER MOD Set 2.1: A 845 THR OG1 : rot -109:sc= 0.528 USER MOD Set 2.2: A 892 ASN : amide:sc= 0.238 X(o=0.77,f=0.33) 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 K(o=0,f=-1.1) 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+ -115:sc= -0.85 (180deg=-2.73!) USER MOD Single : A 847 SER OG : rot 43:sc= 1.2 USER MOD Single : A 848 HIS : no HD1:sc= -1.22 X(o=-1.2,f=-1.7!) USER MOD Single : A 849 ASN : amide:sc= -0.225 X(o=-0.22,f=0) USER MOD Single : A 853 SER OG : rot 180:sc= 0 USER MOD Single : A 856 TYR OH : rot 180:sc= -0.5 USER MOD Single : A 857 ASN : amide:sc=-0.00952 X(o=-0.0095,f=-0.043) USER MOD Single : A 858 GLN : amide:sc= -0.0732 X(o=-0.073,f=-0.064) USER MOD Single : A 860 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 864 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 869 LYS NZ :NH3+ -134:sc= -1.01 (180deg=-2.99!) USER MOD Single : A 870 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 874 SER OG : rot -82:sc= 0.418 USER MOD Single : A 880 TYR OH : rot 180:sc= 0 USER MOD Single : A 885 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 887 ASN : amide:sc= -0.0113 X(o=-0.011,f=-0.011) USER MOD Single : A 889 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 890 GLN : amide:sc= -1.55 X(o=-1.6,f=-1.2) USER MOD Single : A 891 TYR OH : rot 180:sc= 0 USER MOD Single : A 893 TYR OH : rot -120:sc= -0.055 USER MOD ----------------------------------------------------------------- ATOM 386 N ARG A 828 2.527 6.792 11.387 1.00 0.00 N ATOM 387 CA ARG A 828 3.737 6.889 10.580 1.00 0.00 C ATOM 388 C ARG A 828 4.567 5.613 10.689 1.00 0.00 C ATOM 389 O ARG A 828 4.601 4.802 9.764 1.00 0.00 O ATOM 390 CB ARG A 828 4.573 8.093 11.017 1.00 0.00 C ATOM 391 CG ARG A 828 3.837 9.418 10.907 1.00 0.00 C ATOM 392 CD ARG A 828 4.768 10.595 11.151 1.00 0.00 C ATOM 393 NE ARG A 828 5.005 10.820 12.574 1.00 0.00 N ATOM 394 CZ ARG A 828 5.888 11.694 13.043 1.00 0.00 C ATOM 395 NH1 ARG A 828 6.614 12.422 12.206 1.00 0.00 N ATOM 396 NH2 ARG A 828 6.046 11.842 14.353 1.00 0.00 N ATOM 0 HA ARG A 828 3.440 7.021 9.540 1.00 0.00 H new ATOM 0 HB2 ARG A 828 4.891 7.948 12.050 1.00 0.00 H new ATOM 0 HB3 ARG A 828 5.476 8.137 10.409 1.00 0.00 H new ATOM 0 HG2 ARG A 828 3.390 9.506 9.917 1.00 0.00 H new ATOM 0 HG3 ARG A 828 3.021 9.443 11.629 1.00 0.00 H new ATOM 0 HD2 ARG A 828 5.719 10.415 10.649 1.00 0.00 H new ATOM 0 HD3 ARG A 828 4.339 11.494 10.708 1.00 0.00 H new ATOM 0 HE ARG A 828 4.462 10.276 13.245 1.00 0.00 H new ATOM 0 HH11 ARG A 828 6.495 12.312 11.199 1.00 0.00 H new ATOM 0 HH12 ARG A 828 7.291 13.093 12.569 1.00 0.00 H new ATOM 0 HH21 ARG A 828 5.489 11.284 15.000 1.00 0.00 H new ATOM 0 HH22 ARG A 828 6.725 12.514 14.712 1.00 0.00 H new ATOM 410 N GLN A 829 5.235 5.443 11.826 1.00 0.00 N ATOM 411 CA GLN A 829 6.066 4.267 12.055 1.00 0.00 C ATOM 412 C GLN A 829 5.400 3.014 11.496 1.00 0.00 C ATOM 413 O GLN A 829 6.068 2.136 10.949 1.00 0.00 O ATOM 414 CB GLN A 829 6.337 4.092 13.550 1.00 0.00 C ATOM 415 CG GLN A 829 5.183 3.456 14.307 1.00 0.00 C ATOM 416 CD GLN A 829 5.552 3.085 15.730 1.00 0.00 C ATOM 417 OE1 GLN A 829 5.529 1.912 16.104 1.00 0.00 O ATOM 418 NE2 GLN A 829 5.895 4.086 16.533 1.00 0.00 N ATOM 0 H GLN A 829 5.217 6.104 12.602 1.00 0.00 H new ATOM 0 HA GLN A 829 7.013 4.415 11.537 1.00 0.00 H new ATOM 0 HB2 GLN A 829 7.228 3.478 13.680 1.00 0.00 H new ATOM 0 HB3 GLN A 829 6.555 5.066 13.988 1.00 0.00 H new ATOM 0 HG2 GLN A 829 4.340 4.146 14.323 1.00 0.00 H new ATOM 0 HG3 GLN A 829 4.854 2.563 13.776 1.00 0.00 H new ATOM 0 HE21 GLN A 829 5.900 5.043 16.181 1.00 0.00 H new ATOM 0 HE22 GLN A 829 6.153 3.897 17.502 1.00 0.00 H new ATOM 427 N TYR A 830 4.082 2.937 11.638 1.00 0.00 N ATOM 428 CA TYR A 830 3.326 1.789 11.150 1.00 0.00 C ATOM 429 C TYR A 830 3.242 1.800 9.627 1.00 0.00 C ATOM 430 O TYR A 830 3.320 0.754 8.983 1.00 0.00 O ATOM 431 CB TYR A 830 1.919 1.786 11.750 1.00 0.00 C ATOM 432 CG TYR A 830 1.863 1.244 13.160 1.00 0.00 C ATOM 433 CD1 TYR A 830 2.352 1.983 14.230 1.00 0.00 C ATOM 434 CD2 TYR A 830 1.320 -0.008 13.422 1.00 0.00 C ATOM 435 CE1 TYR A 830 2.303 1.490 15.520 1.00 0.00 C ATOM 436 CE2 TYR A 830 1.266 -0.508 14.709 1.00 0.00 C ATOM 437 CZ TYR A 830 1.759 0.244 15.754 1.00 0.00 C ATOM 438 OH TYR A 830 1.707 -0.249 17.038 1.00 0.00 O ATOM 0 H TYR A 830 3.514 3.656 12.087 1.00 0.00 H new ATOM 0 HA TYR A 830 3.848 0.884 11.460 1.00 0.00 H new ATOM 0 HB2 TYR A 830 1.529 2.804 11.745 1.00 0.00 H new ATOM 0 HB3 TYR A 830 1.263 1.191 11.115 1.00 0.00 H new ATOM 0 HD1 TYR A 830 2.778 2.959 14.051 1.00 0.00 H new ATOM 0 HD2 TYR A 830 0.934 -0.600 12.606 1.00 0.00 H new ATOM 0 HE1 TYR A 830 2.688 2.077 16.341 1.00 0.00 H new ATOM 0 HE2 TYR A 830 0.840 -1.483 14.895 1.00 0.00 H new ATOM 0 HH TYR A 830 1.294 -1.138 17.031 1.00 0.00 H new ATOM 448 N GLN A 831 3.083 2.991 9.058 1.00 0.00 N ATOM 449 CA GLN A 831 2.988 3.139 7.611 1.00 0.00 C ATOM 450 C GLN A 831 4.259 2.642 6.928 1.00 0.00 C ATOM 451 O GLN A 831 4.199 1.916 5.936 1.00 0.00 O ATOM 452 CB GLN A 831 2.735 4.602 7.242 1.00 0.00 C ATOM 453 CG GLN A 831 1.263 4.977 7.220 1.00 0.00 C ATOM 454 CD GLN A 831 0.610 4.700 5.880 1.00 0.00 C ATOM 455 OE1 GLN A 831 0.595 3.563 5.407 1.00 0.00 O ATOM 456 NE2 GLN A 831 0.064 5.740 5.260 1.00 0.00 N ATOM 0 H GLN A 831 3.017 3.867 9.577 1.00 0.00 H new ATOM 0 HA GLN A 831 2.150 2.534 7.264 1.00 0.00 H new ATOM 0 HB2 GLN A 831 3.254 5.243 7.955 1.00 0.00 H new ATOM 0 HB3 GLN A 831 3.167 4.801 6.261 1.00 0.00 H new ATOM 0 HG2 GLN A 831 0.739 4.421 7.997 1.00 0.00 H new ATOM 0 HG3 GLN A 831 1.158 6.035 7.459 1.00 0.00 H new ATOM 0 HE21 GLN A 831 0.099 6.665 5.688 1.00 0.00 H new ATOM 0 HE22 GLN A 831 -0.391 5.614 4.356 1.00 0.00 H new ATOM 465 N ILE A 832 5.407 3.039 7.467 1.00 0.00 N ATOM 466 CA ILE A 832 6.692 2.633 6.910 1.00 0.00 C ATOM 467 C ILE A 832 6.938 1.144 7.124 1.00 0.00 C ATOM 468 O ILE A 832 7.173 0.400 6.172 1.00 0.00 O ATOM 469 CB ILE A 832 7.853 3.429 7.534 1.00 0.00 C ATOM 470 CG1 ILE A 832 7.660 4.928 7.294 1.00 0.00 C ATOM 471 CG2 ILE A 832 9.183 2.963 6.962 1.00 0.00 C ATOM 472 CD1 ILE A 832 6.676 5.571 8.246 1.00 0.00 C ATOM 0 H ILE A 832 5.474 3.641 8.288 1.00 0.00 H new ATOM 0 HA ILE A 832 6.653 2.842 5.841 1.00 0.00 H new ATOM 0 HB ILE A 832 7.859 3.250 8.609 1.00 0.00 H new ATOM 0 HG12 ILE A 832 8.623 5.429 7.387 1.00 0.00 H new ATOM 0 HG13 ILE A 832 7.317 5.083 6.271 1.00 0.00 H new ATOM 0 HG21 ILE A 832 9.994 3.535 7.413 1.00 0.00 H new ATOM 0 HG22 ILE A 832 9.322 1.904 7.180 1.00 0.00 H new ATOM 0 HG23 ILE A 832 9.188 3.115 5.883 1.00 0.00 H new ATOM 0 HD11 ILE A 832 6.589 6.633 8.017 1.00 0.00 H new ATOM 0 HD12 ILE A 832 5.701 5.096 8.137 1.00 0.00 H new ATOM 0 HD13 ILE A 832 7.027 5.448 9.270 1.00 0.00 H new ATOM 484 N ASP A 833 6.881 0.715 8.380 1.00 0.00 N ATOM 485 CA ASP A 833 7.095 -0.687 8.720 1.00 0.00 C ATOM 486 C ASP A 833 6.127 -1.585 7.956 1.00 0.00 C ATOM 487 O ASP A 833 6.502 -2.658 7.485 1.00 0.00 O ATOM 488 CB ASP A 833 6.928 -0.900 10.225 1.00 0.00 C ATOM 489 CG ASP A 833 7.171 -2.339 10.637 1.00 0.00 C ATOM 490 OD1 ASP A 833 6.480 -3.232 10.105 1.00 0.00 O ATOM 491 OD2 ASP A 833 8.052 -2.571 11.491 1.00 0.00 O ATOM 0 H ASP A 833 6.688 1.318 9.180 1.00 0.00 H new ATOM 0 HA ASP A 833 8.112 -0.954 8.434 1.00 0.00 H new ATOM 0 HB2 ASP A 833 7.621 -0.250 10.760 1.00 0.00 H new ATOM 0 HB3 ASP A 833 5.921 -0.605 10.521 1.00 0.00 H new ATOM 496 N ALA A 834 4.881 -1.139 7.838 1.00 0.00 N ATOM 497 CA ALA A 834 3.860 -1.901 7.131 1.00 0.00 C ATOM 498 C ALA A 834 4.239 -2.101 5.667 1.00 0.00 C ATOM 499 O ALA A 834 4.238 -3.224 5.164 1.00 0.00 O ATOM 500 CB ALA A 834 2.512 -1.205 7.238 1.00 0.00 C ATOM 0 H ALA A 834 4.554 -0.253 8.223 1.00 0.00 H new ATOM 0 HA ALA A 834 3.787 -2.883 7.598 1.00 0.00 H new ATOM 0 HB1 ALA A 834 1.759 -1.786 6.705 1.00 0.00 H new ATOM 0 HB2 ALA A 834 2.229 -1.120 8.287 1.00 0.00 H new ATOM 0 HB3 ALA A 834 2.580 -0.210 6.799 1.00 0.00 H new ATOM 506 N ALA A 835 4.563 -1.004 4.990 1.00 0.00 N ATOM 507 CA ALA A 835 4.945 -1.060 3.584 1.00 0.00 C ATOM 508 C ALA A 835 6.086 -2.048 3.364 1.00 0.00 C ATOM 509 O ALA A 835 6.053 -2.849 2.430 1.00 0.00 O ATOM 510 CB ALA A 835 5.341 0.324 3.090 1.00 0.00 C ATOM 0 H ALA A 835 4.569 -0.067 5.392 1.00 0.00 H new ATOM 0 HA ALA A 835 4.084 -1.406 3.012 1.00 0.00 H new ATOM 0 HB1 ALA A 835 5.624 0.268 2.039 1.00 0.00 H new ATOM 0 HB2 ALA A 835 4.498 1.006 3.203 1.00 0.00 H new ATOM 0 HB3 ALA A 835 6.185 0.691 3.674 1.00 0.00 H new ATOM 516 N ILE A 836 7.092 -1.985 4.229 1.00 0.00 N ATOM 517 CA ILE A 836 8.242 -2.874 4.129 1.00 0.00 C ATOM 518 C ILE A 836 7.822 -4.334 4.262 1.00 0.00 C ATOM 519 O ILE A 836 7.931 -5.112 3.315 1.00 0.00 O ATOM 520 CB ILE A 836 9.297 -2.555 5.205 1.00 0.00 C ATOM 521 CG1 ILE A 836 9.749 -1.098 5.090 1.00 0.00 C ATOM 522 CG2 ILE A 836 10.486 -3.496 5.077 1.00 0.00 C ATOM 523 CD1 ILE A 836 10.441 -0.581 6.332 1.00 0.00 C ATOM 0 H ILE A 836 7.134 -1.327 5.007 1.00 0.00 H new ATOM 0 HA ILE A 836 8.680 -2.712 3.144 1.00 0.00 H new ATOM 0 HB ILE A 836 8.848 -2.700 6.188 1.00 0.00 H new ATOM 0 HG12 ILE A 836 10.425 -1.002 4.240 1.00 0.00 H new ATOM 0 HG13 ILE A 836 8.882 -0.472 4.880 1.00 0.00 H new ATOM 0 HG21 ILE A 836 11.223 -3.258 5.844 1.00 0.00 H new ATOM 0 HG22 ILE A 836 10.151 -4.525 5.203 1.00 0.00 H new ATOM 0 HG23 ILE A 836 10.938 -3.380 4.092 1.00 0.00 H new ATOM 0 HD11 ILE A 836 10.734 0.458 6.180 1.00 0.00 H new ATOM 0 HD12 ILE A 836 9.760 -0.645 7.181 1.00 0.00 H new ATOM 0 HD13 ILE A 836 11.328 -1.183 6.532 1.00 0.00 H new ATOM 535 N VAL A 837 7.337 -4.699 5.445 1.00 0.00 N ATOM 536 CA VAL A 837 6.896 -6.064 5.703 1.00 0.00 C ATOM 537 C VAL A 837 6.034 -6.588 4.560 1.00 0.00 C ATOM 538 O VAL A 837 6.095 -7.768 4.213 1.00 0.00 O ATOM 539 CB VAL A 837 6.099 -6.158 7.018 1.00 0.00 C ATOM 540 CG1 VAL A 837 5.575 -7.571 7.224 1.00 0.00 C ATOM 541 CG2 VAL A 837 6.960 -5.723 8.194 1.00 0.00 C ATOM 0 H VAL A 837 7.240 -4.067 6.240 1.00 0.00 H new ATOM 0 HA VAL A 837 7.794 -6.676 5.787 1.00 0.00 H new ATOM 0 HB VAL A 837 5.244 -5.485 6.954 1.00 0.00 H new ATOM 0 HG11 VAL A 837 5.015 -7.619 8.158 1.00 0.00 H new ATOM 0 HG12 VAL A 837 4.922 -7.841 6.394 1.00 0.00 H new ATOM 0 HG13 VAL A 837 6.413 -8.267 7.268 1.00 0.00 H new ATOM 0 HG21 VAL A 837 6.381 -5.796 9.115 1.00 0.00 H new ATOM 0 HG22 VAL A 837 7.835 -6.369 8.263 1.00 0.00 H new ATOM 0 HG23 VAL A 837 7.282 -4.692 8.048 1.00 0.00 H new ATOM 551 N ARG A 838 5.231 -5.703 3.978 1.00 0.00 N ATOM 552 CA ARG A 838 4.355 -6.077 2.874 1.00 0.00 C ATOM 553 C ARG A 838 5.162 -6.348 1.608 1.00 0.00 C ATOM 554 O ARG A 838 5.075 -7.429 1.024 1.00 0.00 O ATOM 555 CB ARG A 838 3.331 -4.971 2.612 1.00 0.00 C ATOM 556 CG ARG A 838 2.169 -4.973 3.592 1.00 0.00 C ATOM 557 CD ARG A 838 1.067 -5.922 3.148 1.00 0.00 C ATOM 558 NE ARG A 838 0.017 -6.051 4.155 1.00 0.00 N ATOM 559 CZ ARG A 838 -0.971 -5.176 4.302 1.00 0.00 C ATOM 560 NH1 ARG A 838 -1.045 -4.114 3.510 1.00 0.00 N ATOM 561 NH2 ARG A 838 -1.890 -5.362 5.241 1.00 0.00 N ATOM 0 H ARG A 838 5.169 -4.723 4.252 1.00 0.00 H new ATOM 0 HA ARG A 838 3.830 -6.991 3.152 1.00 0.00 H new ATOM 0 HB2 ARG A 838 3.833 -4.004 2.658 1.00 0.00 H new ATOM 0 HB3 ARG A 838 2.942 -5.080 1.600 1.00 0.00 H new ATOM 0 HG2 ARG A 838 2.525 -5.265 4.580 1.00 0.00 H new ATOM 0 HG3 ARG A 838 1.767 -3.964 3.683 1.00 0.00 H new ATOM 0 HD2 ARG A 838 0.633 -5.562 2.215 1.00 0.00 H new ATOM 0 HD3 ARG A 838 1.495 -6.903 2.942 1.00 0.00 H new ATOM 0 HE ARG A 838 0.044 -6.857 4.779 1.00 0.00 H new ATOM 0 HH11 ARG A 838 -0.342 -3.968 2.786 1.00 0.00 H new ATOM 0 HH12 ARG A 838 -1.805 -3.444 3.625 1.00 0.00 H new ATOM 0 HH21 ARG A 838 -1.838 -6.178 5.851 1.00 0.00 H new ATOM 0 HH22 ARG A 838 -2.648 -4.689 5.353 1.00 0.00 H new ATOM 575 N ILE A 839 5.946 -5.360 1.189 1.00 0.00 N ATOM 576 CA ILE A 839 6.768 -5.493 -0.007 1.00 0.00 C ATOM 577 C ILE A 839 7.669 -6.720 0.078 1.00 0.00 C ATOM 578 O ILE A 839 7.647 -7.581 -0.801 1.00 0.00 O ATOM 579 CB ILE A 839 7.641 -4.244 -0.232 1.00 0.00 C ATOM 580 CG1 ILE A 839 6.762 -3.004 -0.401 1.00 0.00 C ATOM 581 CG2 ILE A 839 8.537 -4.435 -1.447 1.00 0.00 C ATOM 582 CD1 ILE A 839 7.470 -1.710 -0.067 1.00 0.00 C ATOM 0 H ILE A 839 6.029 -4.459 1.660 1.00 0.00 H new ATOM 0 HA ILE A 839 6.084 -5.605 -0.848 1.00 0.00 H new ATOM 0 HB ILE A 839 8.275 -4.100 0.643 1.00 0.00 H new ATOM 0 HG12 ILE A 839 6.406 -2.959 -1.430 1.00 0.00 H new ATOM 0 HG13 ILE A 839 5.883 -3.102 0.236 1.00 0.00 H new ATOM 0 HG21 ILE A 839 9.148 -3.544 -1.593 1.00 0.00 H new ATOM 0 HG22 ILE A 839 9.185 -5.297 -1.289 1.00 0.00 H new ATOM 0 HG23 ILE A 839 7.921 -4.601 -2.331 1.00 0.00 H new ATOM 0 HD11 ILE A 839 6.786 -0.874 -0.210 1.00 0.00 H new ATOM 0 HD12 ILE A 839 7.802 -1.734 0.971 1.00 0.00 H new ATOM 0 HD13 ILE A 839 8.333 -1.588 -0.721 1.00 0.00 H new ATOM 594 N MET A 840 8.459 -6.795 1.144 1.00 0.00 N ATOM 595 CA MET A 840 9.366 -7.919 1.346 1.00 0.00 C ATOM 596 C MET A 840 8.626 -9.246 1.208 1.00 0.00 C ATOM 597 O MET A 840 9.078 -10.151 0.508 1.00 0.00 O ATOM 598 CB MET A 840 10.024 -7.830 2.724 1.00 0.00 C ATOM 599 CG MET A 840 10.736 -6.510 2.973 1.00 0.00 C ATOM 600 SD MET A 840 12.408 -6.485 2.300 1.00 0.00 S ATOM 601 CE MET A 840 13.375 -6.325 3.799 1.00 0.00 C ATOM 0 H MET A 840 8.489 -6.091 1.881 1.00 0.00 H new ATOM 0 HA MET A 840 10.139 -7.872 0.579 1.00 0.00 H new ATOM 0 HB2 MET A 840 9.263 -7.973 3.491 1.00 0.00 H new ATOM 0 HB3 MET A 840 10.740 -8.645 2.829 1.00 0.00 H new ATOM 0 HG2 MET A 840 10.157 -5.700 2.528 1.00 0.00 H new ATOM 0 HG3 MET A 840 10.777 -6.321 4.046 1.00 0.00 H new ATOM 0 HE1 MET A 840 14.137 -5.559 3.660 1.00 0.00 H new ATOM 0 HE2 MET A 840 12.722 -6.042 4.625 1.00 0.00 H new ATOM 0 HE3 MET A 840 13.855 -7.277 4.026 1.00 0.00 H new ATOM 611 N LYS A 841 7.485 -9.354 1.881 1.00 0.00 N ATOM 612 CA LYS A 841 6.681 -10.570 1.834 1.00 0.00 C ATOM 613 C LYS A 841 6.429 -10.999 0.392 1.00 0.00 C ATOM 614 O LYS A 841 6.690 -12.143 0.021 1.00 0.00 O ATOM 615 CB LYS A 841 5.348 -10.352 2.553 1.00 0.00 C ATOM 616 CG LYS A 841 4.502 -11.609 2.660 1.00 0.00 C ATOM 617 CD LYS A 841 3.175 -11.332 3.346 1.00 0.00 C ATOM 618 CE LYS A 841 2.102 -10.933 2.343 1.00 0.00 C ATOM 619 NZ LYS A 841 1.526 -12.117 1.648 1.00 0.00 N ATOM 0 H LYS A 841 7.096 -8.614 2.466 1.00 0.00 H new ATOM 0 HA LYS A 841 7.234 -11.362 2.339 1.00 0.00 H new ATOM 0 HB2 LYS A 841 5.543 -9.969 3.555 1.00 0.00 H new ATOM 0 HB3 LYS A 841 4.781 -9.586 2.024 1.00 0.00 H new ATOM 0 HG2 LYS A 841 4.320 -12.012 1.664 1.00 0.00 H new ATOM 0 HG3 LYS A 841 5.049 -12.370 3.217 1.00 0.00 H new ATOM 0 HD2 LYS A 841 2.853 -12.220 3.891 1.00 0.00 H new ATOM 0 HD3 LYS A 841 3.303 -10.536 4.080 1.00 0.00 H new ATOM 0 HE2 LYS A 841 1.308 -10.391 2.857 1.00 0.00 H new ATOM 0 HE3 LYS A 841 2.528 -10.251 1.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 0.799 -11.804 0.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 2.279 -12.620 1.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 1.097 -12.755 2.348 1.00 0.00 H new ATOM 633 N MET A 842 5.921 -10.074 -0.416 1.00 0.00 N ATOM 634 CA MET A 842 5.637 -10.358 -1.818 1.00 0.00 C ATOM 635 C MET A 842 6.906 -10.768 -2.558 1.00 0.00 C ATOM 636 O MET A 842 6.900 -11.723 -3.335 1.00 0.00 O ATOM 637 CB MET A 842 5.013 -9.134 -2.491 1.00 0.00 C ATOM 638 CG MET A 842 3.583 -8.862 -2.054 1.00 0.00 C ATOM 639 SD MET A 842 2.451 -10.187 -2.514 1.00 0.00 S ATOM 640 CE MET A 842 1.216 -9.274 -3.435 1.00 0.00 C ATOM 0 H MET A 842 5.698 -9.122 -0.124 1.00 0.00 H new ATOM 0 HA MET A 842 4.930 -11.187 -1.859 1.00 0.00 H new ATOM 0 HB2 MET A 842 5.624 -8.258 -2.272 1.00 0.00 H new ATOM 0 HB3 MET A 842 5.033 -9.274 -3.572 1.00 0.00 H new ATOM 0 HG2 MET A 842 3.557 -8.727 -0.973 1.00 0.00 H new ATOM 0 HG3 MET A 842 3.243 -7.928 -2.500 1.00 0.00 H new ATOM 0 HE1 MET A 842 0.445 -9.959 -3.787 1.00 0.00 H new ATOM 0 HE2 MET A 842 0.765 -8.520 -2.790 1.00 0.00 H new ATOM 0 HE3 MET A 842 1.686 -8.787 -4.289 1.00 0.00 H new ATOM 650 N ARG A 843 7.991 -10.042 -2.311 1.00 0.00 N ATOM 651 CA ARG A 843 9.266 -10.330 -2.955 1.00 0.00 C ATOM 652 C ARG A 843 10.103 -11.279 -2.103 1.00 0.00 C ATOM 653 O ARG A 843 10.822 -10.850 -1.199 1.00 0.00 O ATOM 654 CB ARG A 843 10.040 -9.034 -3.204 1.00 0.00 C ATOM 655 CG ARG A 843 9.266 -8.009 -4.017 1.00 0.00 C ATOM 656 CD ARG A 843 9.172 -8.414 -5.480 1.00 0.00 C ATOM 657 NE ARG A 843 10.413 -8.148 -6.203 1.00 0.00 N ATOM 658 CZ ARG A 843 10.495 -8.095 -7.528 1.00 0.00 C ATOM 659 NH1 ARG A 843 9.414 -8.289 -8.270 1.00 0.00 N ATOM 660 NH2 ARG A 843 11.660 -7.847 -8.112 1.00 0.00 N ATOM 0 H ARG A 843 8.012 -9.250 -1.669 1.00 0.00 H new ATOM 0 HA ARG A 843 9.061 -10.812 -3.911 1.00 0.00 H new ATOM 0 HB2 ARG A 843 10.313 -8.594 -2.245 1.00 0.00 H new ATOM 0 HB3 ARG A 843 10.969 -9.270 -3.722 1.00 0.00 H new ATOM 0 HG2 ARG A 843 8.263 -7.897 -3.604 1.00 0.00 H new ATOM 0 HG3 ARG A 843 9.753 -7.037 -3.938 1.00 0.00 H new ATOM 0 HD2 ARG A 843 8.934 -9.475 -5.548 1.00 0.00 H new ATOM 0 HD3 ARG A 843 8.353 -7.873 -5.954 1.00 0.00 H new ATOM 0 HE ARG A 843 11.263 -7.995 -5.661 1.00 0.00 H new ATOM 0 HH11 ARG A 843 8.517 -8.479 -7.824 1.00 0.00 H new ATOM 0 HH12 ARG A 843 9.479 -8.248 -9.287 1.00 0.00 H new ATOM 0 HH21 ARG A 843 12.494 -7.697 -7.544 1.00 0.00 H new ATOM 0 HH22 ARG A 843 11.722 -7.806 -9.129 1.00 0.00 H new ATOM 674 N LYS A 844 10.006 -12.571 -2.396 1.00 0.00 N ATOM 675 CA LYS A 844 10.754 -13.583 -1.658 1.00 0.00 C ATOM 676 C LYS A 844 12.120 -13.050 -1.239 1.00 0.00 C ATOM 677 O LYS A 844 12.614 -13.364 -0.155 1.00 0.00 O ATOM 678 CB LYS A 844 10.925 -14.842 -2.510 1.00 0.00 C ATOM 679 CG LYS A 844 9.645 -15.643 -2.677 1.00 0.00 C ATOM 680 CD LYS A 844 9.314 -16.433 -1.422 1.00 0.00 C ATOM 681 CE LYS A 844 10.233 -17.634 -1.261 1.00 0.00 C ATOM 682 NZ LYS A 844 11.458 -17.294 -0.485 1.00 0.00 N ATOM 0 H LYS A 844 9.416 -12.943 -3.140 1.00 0.00 H new ATOM 0 HA LYS A 844 10.190 -13.834 -0.760 1.00 0.00 H new ATOM 0 HB2 LYS A 844 11.296 -14.557 -3.494 1.00 0.00 H new ATOM 0 HB3 LYS A 844 11.685 -15.478 -2.055 1.00 0.00 H new ATOM 0 HG2 LYS A 844 8.821 -14.969 -2.912 1.00 0.00 H new ATOM 0 HG3 LYS A 844 9.749 -16.325 -3.521 1.00 0.00 H new ATOM 0 HD2 LYS A 844 9.403 -15.786 -0.549 1.00 0.00 H new ATOM 0 HD3 LYS A 844 8.278 -16.769 -1.465 1.00 0.00 H new ATOM 0 HE2 LYS A 844 9.696 -18.438 -0.758 1.00 0.00 H new ATOM 0 HE3 LYS A 844 10.518 -18.008 -2.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 844 12.294 -17.387 -1.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 844 11.389 -16.316 -0.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 844 11.548 -17.942 0.324 1.00 0.00 H new ATOM 696 N THR A 845 12.726 -12.242 -2.103 1.00 0.00 N ATOM 697 CA THR A 845 14.035 -11.666 -1.821 1.00 0.00 C ATOM 698 C THR A 845 14.164 -10.273 -2.426 1.00 0.00 C ATOM 699 O THR A 845 13.979 -10.088 -3.630 1.00 0.00 O ATOM 700 CB THR A 845 15.169 -12.556 -2.364 1.00 0.00 C ATOM 701 OG1 THR A 845 15.141 -13.834 -1.718 1.00 0.00 O ATOM 702 CG2 THR A 845 16.524 -11.901 -2.144 1.00 0.00 C ATOM 0 H THR A 845 12.331 -11.972 -3.004 1.00 0.00 H new ATOM 0 HA THR A 845 14.124 -11.598 -0.737 1.00 0.00 H new ATOM 0 HB THR A 845 15.016 -12.687 -3.435 1.00 0.00 H new ATOM 0 HG1 THR A 845 15.907 -13.911 -1.112 1.00 0.00 H new ATOM 0 HG21 THR A 845 17.309 -12.548 -2.536 1.00 0.00 H new ATOM 0 HG22 THR A 845 16.553 -10.942 -2.661 1.00 0.00 H new ATOM 0 HG23 THR A 845 16.683 -11.743 -1.077 1.00 0.00 H new ATOM 710 N LEU A 846 14.483 -9.295 -1.585 1.00 0.00 N ATOM 711 CA LEU A 846 14.638 -7.917 -2.038 1.00 0.00 C ATOM 712 C LEU A 846 15.821 -7.247 -1.347 1.00 0.00 C ATOM 713 O LEU A 846 16.186 -7.608 -0.228 1.00 0.00 O ATOM 714 CB LEU A 846 13.359 -7.124 -1.767 1.00 0.00 C ATOM 715 CG LEU A 846 13.080 -5.955 -2.714 1.00 0.00 C ATOM 716 CD1 LEU A 846 12.536 -6.462 -4.041 1.00 0.00 C ATOM 717 CD2 LEU A 846 12.108 -4.973 -2.077 1.00 0.00 C ATOM 0 H LEU A 846 14.639 -9.431 -0.586 1.00 0.00 H new ATOM 0 HA LEU A 846 14.828 -7.932 -3.111 1.00 0.00 H new ATOM 0 HB2 LEU A 846 12.514 -7.811 -1.811 1.00 0.00 H new ATOM 0 HB3 LEU A 846 13.404 -6.738 -0.749 1.00 0.00 H new ATOM 0 HG LEU A 846 14.018 -5.434 -2.904 1.00 0.00 H new ATOM 0 HD11 LEU A 846 12.343 -5.617 -4.702 1.00 0.00 H new ATOM 0 HD12 LEU A 846 13.266 -7.126 -4.504 1.00 0.00 H new ATOM 0 HD13 LEU A 846 11.608 -7.007 -3.869 1.00 0.00 H new ATOM 0 HD21 LEU A 846 11.921 -4.148 -2.765 1.00 0.00 H new ATOM 0 HD22 LEU A 846 11.169 -5.481 -1.857 1.00 0.00 H new ATOM 0 HD23 LEU A 846 12.536 -4.585 -1.153 1.00 0.00 H new ATOM 729 N SER A 847 16.416 -6.267 -2.020 1.00 0.00 N ATOM 730 CA SER A 847 17.559 -5.547 -1.472 1.00 0.00 C ATOM 731 C SER A 847 17.134 -4.186 -0.928 1.00 0.00 C ATOM 732 O SER A 847 15.955 -3.833 -0.960 1.00 0.00 O ATOM 733 CB SER A 847 18.637 -5.367 -2.543 1.00 0.00 C ATOM 734 OG SER A 847 19.889 -5.052 -1.959 1.00 0.00 O ATOM 0 H SER A 847 16.125 -5.954 -2.946 1.00 0.00 H new ATOM 0 HA SER A 847 17.968 -6.136 -0.651 1.00 0.00 H new ATOM 0 HB2 SER A 847 18.726 -6.281 -3.131 1.00 0.00 H new ATOM 0 HB3 SER A 847 18.343 -4.573 -3.230 1.00 0.00 H new ATOM 0 HG SER A 847 20.037 -5.622 -1.176 1.00 0.00 H new ATOM 740 N HIS A 848 18.104 -3.426 -0.430 1.00 0.00 N ATOM 741 CA HIS A 848 17.831 -2.103 0.121 1.00 0.00 C ATOM 742 C HIS A 848 17.288 -1.168 -0.956 1.00 0.00 C ATOM 743 O HIS A 848 16.131 -0.753 -0.904 1.00 0.00 O ATOM 744 CB HIS A 848 19.101 -1.511 0.733 1.00 0.00 C ATOM 745 CG HIS A 848 18.894 -0.165 1.357 1.00 0.00 C ATOM 746 ND1 HIS A 848 18.927 0.047 2.719 1.00 0.00 N ATOM 747 CD2 HIS A 848 18.653 1.043 0.795 1.00 0.00 C ATOM 748 CE1 HIS A 848 18.712 1.326 2.969 1.00 0.00 C ATOM 749 NE2 HIS A 848 18.543 1.953 1.818 1.00 0.00 N ATOM 0 H HIS A 848 19.085 -3.703 -0.397 1.00 0.00 H new ATOM 0 HA HIS A 848 17.076 -2.209 0.900 1.00 0.00 H new ATOM 0 HB2 HIS A 848 19.485 -2.197 1.488 1.00 0.00 H new ATOM 0 HB3 HIS A 848 19.864 -1.430 -0.041 1.00 0.00 H new ATOM 0 HD2 HIS A 848 18.564 1.252 -0.261 1.00 0.00 H new ATOM 0 HE1 HIS A 848 18.680 1.782 3.948 1.00 0.00 H new ATOM 0 HE2 HIS A 848 18.361 2.950 1.707 1.00 0.00 H new ATOM 757 N ASN A 849 18.132 -0.840 -1.929 1.00 0.00 N ATOM 758 CA ASN A 849 17.736 0.048 -3.017 1.00 0.00 C ATOM 759 C ASN A 849 16.324 -0.275 -3.496 1.00 0.00 C ATOM 760 O ASN A 849 15.444 0.586 -3.495 1.00 0.00 O ATOM 761 CB ASN A 849 18.721 -0.069 -4.181 1.00 0.00 C ATOM 762 CG ASN A 849 19.954 0.792 -3.984 1.00 0.00 C ATOM 763 OD1 ASN A 849 20.106 1.834 -4.622 1.00 0.00 O ATOM 764 ND2 ASN A 849 20.842 0.359 -3.097 1.00 0.00 N ATOM 0 H ASN A 849 19.094 -1.175 -1.987 1.00 0.00 H new ATOM 0 HA ASN A 849 17.747 1.071 -2.641 1.00 0.00 H new ATOM 0 HB2 ASN A 849 19.023 -1.110 -4.295 1.00 0.00 H new ATOM 0 HB3 ASN A 849 18.222 0.221 -5.106 1.00 0.00 H new ATOM 0 HD21 ASN A 849 21.691 0.896 -2.922 1.00 0.00 H new ATOM 0 HD22 ASN A 849 20.675 -0.511 -2.591 1.00 0.00 H new ATOM 771 N LEU A 850 16.115 -1.522 -3.904 1.00 0.00 N ATOM 772 CA LEU A 850 14.809 -1.960 -4.386 1.00 0.00 C ATOM 773 C LEU A 850 13.749 -1.807 -3.300 1.00 0.00 C ATOM 774 O LEU A 850 12.612 -1.421 -3.577 1.00 0.00 O ATOM 775 CB LEU A 850 14.877 -3.417 -4.847 1.00 0.00 C ATOM 776 CG LEU A 850 15.549 -3.663 -6.198 1.00 0.00 C ATOM 777 CD1 LEU A 850 14.805 -2.931 -7.305 1.00 0.00 C ATOM 778 CD2 LEU A 850 17.007 -3.230 -6.156 1.00 0.00 C ATOM 0 H LEU A 850 16.832 -2.247 -3.911 1.00 0.00 H new ATOM 0 HA LEU A 850 14.530 -1.330 -5.231 1.00 0.00 H new ATOM 0 HB2 LEU A 850 15.409 -3.992 -4.089 1.00 0.00 H new ATOM 0 HB3 LEU A 850 13.862 -3.811 -4.892 1.00 0.00 H new ATOM 0 HG LEU A 850 15.515 -4.732 -6.410 1.00 0.00 H new ATOM 0 HD11 LEU A 850 15.297 -3.118 -8.259 1.00 0.00 H new ATOM 0 HD12 LEU A 850 13.777 -3.290 -7.351 1.00 0.00 H new ATOM 0 HD13 LEU A 850 14.807 -1.861 -7.099 1.00 0.00 H new ATOM 0 HD21 LEU A 850 17.469 -3.413 -7.126 1.00 0.00 H new ATOM 0 HD22 LEU A 850 17.064 -2.167 -5.921 1.00 0.00 H new ATOM 0 HD23 LEU A 850 17.534 -3.800 -5.390 1.00 0.00 H new ATOM 790 N LEU A 851 14.128 -2.110 -2.064 1.00 0.00 N ATOM 791 CA LEU A 851 13.210 -2.004 -0.934 1.00 0.00 C ATOM 792 C LEU A 851 12.731 -0.567 -0.756 1.00 0.00 C ATOM 793 O LEU A 851 11.561 -0.258 -0.986 1.00 0.00 O ATOM 794 CB LEU A 851 13.889 -2.490 0.347 1.00 0.00 C ATOM 795 CG LEU A 851 13.146 -2.201 1.652 1.00 0.00 C ATOM 796 CD1 LEU A 851 11.773 -2.856 1.641 1.00 0.00 C ATOM 797 CD2 LEU A 851 13.958 -2.680 2.846 1.00 0.00 C ATOM 0 H LEU A 851 15.064 -2.431 -1.818 1.00 0.00 H new ATOM 0 HA LEU A 851 12.344 -2.633 -1.140 1.00 0.00 H new ATOM 0 HB2 LEU A 851 14.039 -3.567 0.269 1.00 0.00 H new ATOM 0 HB3 LEU A 851 14.877 -2.034 0.406 1.00 0.00 H new ATOM 0 HG LEU A 851 13.011 -1.123 1.739 1.00 0.00 H new ATOM 0 HD11 LEU A 851 11.259 -2.640 2.578 1.00 0.00 H new ATOM 0 HD12 LEU A 851 11.190 -2.464 0.808 1.00 0.00 H new ATOM 0 HD13 LEU A 851 11.885 -3.934 1.530 1.00 0.00 H new ATOM 0 HD21 LEU A 851 13.414 -2.466 3.766 1.00 0.00 H new ATOM 0 HD22 LEU A 851 14.125 -3.754 2.765 1.00 0.00 H new ATOM 0 HD23 LEU A 851 14.918 -2.164 2.864 1.00 0.00 H new ATOM 809 N VAL A 852 13.642 0.309 -0.345 1.00 0.00 N ATOM 810 CA VAL A 852 13.313 1.714 -0.138 1.00 0.00 C ATOM 811 C VAL A 852 12.461 2.253 -1.282 1.00 0.00 C ATOM 812 O VAL A 852 11.499 2.988 -1.060 1.00 0.00 O ATOM 813 CB VAL A 852 14.584 2.575 -0.010 1.00 0.00 C ATOM 814 CG1 VAL A 852 15.391 2.158 1.210 1.00 0.00 C ATOM 815 CG2 VAL A 852 15.424 2.475 -1.275 1.00 0.00 C ATOM 0 H VAL A 852 14.614 0.070 -0.149 1.00 0.00 H new ATOM 0 HA VAL A 852 12.748 1.773 0.792 1.00 0.00 H new ATOM 0 HB VAL A 852 14.286 3.615 0.120 1.00 0.00 H new ATOM 0 HG11 VAL A 852 16.285 2.777 1.284 1.00 0.00 H new ATOM 0 HG12 VAL A 852 14.786 2.286 2.108 1.00 0.00 H new ATOM 0 HG13 VAL A 852 15.681 1.112 1.114 1.00 0.00 H new ATOM 0 HG21 VAL A 852 16.318 3.089 -1.168 1.00 0.00 H new ATOM 0 HG22 VAL A 852 15.714 1.437 -1.438 1.00 0.00 H new ATOM 0 HG23 VAL A 852 14.842 2.827 -2.127 1.00 0.00 H new ATOM 825 N SER A 853 12.821 1.882 -2.506 1.00 0.00 N ATOM 826 CA SER A 853 12.091 2.331 -3.686 1.00 0.00 C ATOM 827 C SER A 853 10.608 1.990 -3.570 1.00 0.00 C ATOM 828 O SER A 853 9.754 2.875 -3.590 1.00 0.00 O ATOM 829 CB SER A 853 12.676 1.692 -4.947 1.00 0.00 C ATOM 830 OG SER A 853 12.513 2.540 -6.071 1.00 0.00 O ATOM 0 H SER A 853 13.613 1.272 -2.707 1.00 0.00 H new ATOM 0 HA SER A 853 12.192 3.414 -3.756 1.00 0.00 H new ATOM 0 HB2 SER A 853 13.735 1.484 -4.795 1.00 0.00 H new ATOM 0 HB3 SER A 853 12.187 0.736 -5.135 1.00 0.00 H new ATOM 0 HG SER A 853 12.896 2.110 -6.864 1.00 0.00 H new ATOM 836 N GLU A 854 10.312 0.699 -3.450 1.00 0.00 N ATOM 837 CA GLU A 854 8.933 0.241 -3.331 1.00 0.00 C ATOM 838 C GLU A 854 8.203 0.992 -2.222 1.00 0.00 C ATOM 839 O GLU A 854 7.138 1.568 -2.444 1.00 0.00 O ATOM 840 CB GLU A 854 8.895 -1.264 -3.054 1.00 0.00 C ATOM 841 CG GLU A 854 9.280 -2.114 -4.253 1.00 0.00 C ATOM 842 CD GLU A 854 8.396 -1.856 -5.459 1.00 0.00 C ATOM 843 OE1 GLU A 854 7.316 -2.476 -5.547 1.00 0.00 O ATOM 844 OE2 GLU A 854 8.786 -1.034 -6.314 1.00 0.00 O ATOM 0 H GLU A 854 11.008 -0.047 -3.433 1.00 0.00 H new ATOM 0 HA GLU A 854 8.427 0.443 -4.275 1.00 0.00 H new ATOM 0 HB2 GLU A 854 9.569 -1.490 -2.228 1.00 0.00 H new ATOM 0 HB3 GLU A 854 7.891 -1.540 -2.731 1.00 0.00 H new ATOM 0 HG2 GLU A 854 10.318 -1.913 -4.518 1.00 0.00 H new ATOM 0 HG3 GLU A 854 9.219 -3.168 -3.981 1.00 0.00 H new ATOM 851 N VAL A 855 8.784 0.981 -1.026 1.00 0.00 N ATOM 852 CA VAL A 855 8.190 1.661 0.119 1.00 0.00 C ATOM 853 C VAL A 855 7.754 3.075 -0.248 1.00 0.00 C ATOM 854 O VAL A 855 6.606 3.460 -0.025 1.00 0.00 O ATOM 855 CB VAL A 855 9.173 1.729 1.303 1.00 0.00 C ATOM 856 CG1 VAL A 855 8.670 2.702 2.359 1.00 0.00 C ATOM 857 CG2 VAL A 855 9.385 0.346 1.899 1.00 0.00 C ATOM 0 H VAL A 855 9.665 0.509 -0.825 1.00 0.00 H new ATOM 0 HA VAL A 855 7.317 1.080 0.415 1.00 0.00 H new ATOM 0 HB VAL A 855 10.133 2.092 0.936 1.00 0.00 H new ATOM 0 HG11 VAL A 855 9.377 2.737 3.188 1.00 0.00 H new ATOM 0 HG12 VAL A 855 8.574 3.696 1.922 1.00 0.00 H new ATOM 0 HG13 VAL A 855 7.698 2.371 2.725 1.00 0.00 H new ATOM 0 HG21 VAL A 855 10.082 0.413 2.734 1.00 0.00 H new ATOM 0 HG22 VAL A 855 8.432 -0.048 2.252 1.00 0.00 H new ATOM 0 HG23 VAL A 855 9.793 -0.319 1.138 1.00 0.00 H new ATOM 867 N TYR A 856 8.678 3.846 -0.811 1.00 0.00 N ATOM 868 CA TYR A 856 8.390 5.219 -1.208 1.00 0.00 C ATOM 869 C TYR A 856 7.168 5.279 -2.119 1.00 0.00 C ATOM 870 O TYR A 856 6.320 6.159 -1.981 1.00 0.00 O ATOM 871 CB TYR A 856 9.599 5.831 -1.917 1.00 0.00 C ATOM 872 CG TYR A 856 10.806 6.000 -1.022 1.00 0.00 C ATOM 873 CD1 TYR A 856 10.692 6.605 0.224 1.00 0.00 C ATOM 874 CD2 TYR A 856 12.060 5.554 -1.421 1.00 0.00 C ATOM 875 CE1 TYR A 856 11.792 6.762 1.045 1.00 0.00 C ATOM 876 CE2 TYR A 856 13.165 5.705 -0.606 1.00 0.00 C ATOM 877 CZ TYR A 856 13.026 6.310 0.626 1.00 0.00 C ATOM 878 OH TYR A 856 14.123 6.463 1.441 1.00 0.00 O ATOM 0 H TYR A 856 9.633 3.543 -1.003 1.00 0.00 H new ATOM 0 HA TYR A 856 8.176 5.793 -0.306 1.00 0.00 H new ATOM 0 HB2 TYR A 856 9.871 5.200 -2.763 1.00 0.00 H new ATOM 0 HB3 TYR A 856 9.318 6.804 -2.321 1.00 0.00 H new ATOM 0 HD1 TYR A 856 9.727 6.958 0.556 1.00 0.00 H new ATOM 0 HD2 TYR A 856 12.173 5.081 -2.385 1.00 0.00 H new ATOM 0 HE1 TYR A 856 11.686 7.236 2.010 1.00 0.00 H new ATOM 0 HE2 TYR A 856 14.132 5.351 -0.931 1.00 0.00 H new ATOM 0 HH TYR A 856 14.914 6.091 0.998 1.00 0.00 H new ATOM 888 N ASN A 857 7.085 4.333 -3.049 1.00 0.00 N ATOM 889 CA ASN A 857 5.967 4.277 -3.984 1.00 0.00 C ATOM 890 C ASN A 857 4.656 4.016 -3.248 1.00 0.00 C ATOM 891 O ASN A 857 3.590 4.443 -3.691 1.00 0.00 O ATOM 892 CB ASN A 857 6.204 3.185 -5.029 1.00 0.00 C ATOM 893 CG ASN A 857 5.011 2.993 -5.945 1.00 0.00 C ATOM 894 OD1 ASN A 857 4.435 3.961 -6.444 1.00 0.00 O ATOM 895 ND2 ASN A 857 4.633 1.740 -6.171 1.00 0.00 N ATOM 0 H ASN A 857 7.778 3.595 -3.175 1.00 0.00 H new ATOM 0 HA ASN A 857 5.896 5.242 -4.486 1.00 0.00 H new ATOM 0 HB2 ASN A 857 7.079 3.441 -5.626 1.00 0.00 H new ATOM 0 HB3 ASN A 857 6.426 2.245 -4.524 1.00 0.00 H new ATOM 0 HD21 ASN A 857 3.836 1.549 -6.779 1.00 0.00 H new ATOM 0 HD22 ASN A 857 5.139 0.968 -5.737 1.00 0.00 H new ATOM 902 N GLN A 858 4.744 3.313 -2.123 1.00 0.00 N ATOM 903 CA GLN A 858 3.565 2.996 -1.327 1.00 0.00 C ATOM 904 C GLN A 858 3.150 4.188 -0.471 1.00 0.00 C ATOM 905 O GLN A 858 1.962 4.490 -0.342 1.00 0.00 O ATOM 906 CB GLN A 858 3.837 1.783 -0.436 1.00 0.00 C ATOM 907 CG GLN A 858 3.808 0.460 -1.184 1.00 0.00 C ATOM 908 CD GLN A 858 2.415 0.083 -1.649 1.00 0.00 C ATOM 909 OE1 GLN A 858 2.153 -0.011 -2.849 1.00 0.00 O ATOM 910 NE2 GLN A 858 1.512 -0.135 -0.700 1.00 0.00 N ATOM 0 H GLN A 858 5.619 2.953 -1.743 1.00 0.00 H new ATOM 0 HA GLN A 858 2.749 2.761 -2.010 1.00 0.00 H new ATOM 0 HB2 GLN A 858 4.812 1.902 0.038 1.00 0.00 H new ATOM 0 HB3 GLN A 858 3.096 1.756 0.363 1.00 0.00 H new ATOM 0 HG2 GLN A 858 4.471 0.520 -2.047 1.00 0.00 H new ATOM 0 HG3 GLN A 858 4.197 -0.327 -0.538 1.00 0.00 H new ATOM 0 HE21 GLN A 858 1.773 -0.046 0.282 1.00 0.00 H new ATOM 0 HE22 GLN A 858 0.558 -0.392 -0.953 1.00 0.00 H new ATOM 919 N LEU A 859 4.134 4.862 0.114 1.00 0.00 N ATOM 920 CA LEU A 859 3.871 6.021 0.959 1.00 0.00 C ATOM 921 C LEU A 859 3.776 7.294 0.123 1.00 0.00 C ATOM 922 O LEU A 859 4.628 7.557 -0.726 1.00 0.00 O ATOM 923 CB LEU A 859 4.971 6.170 2.011 1.00 0.00 C ATOM 924 CG LEU A 859 5.298 4.915 2.822 1.00 0.00 C ATOM 925 CD1 LEU A 859 6.165 5.266 4.022 1.00 0.00 C ATOM 926 CD2 LEU A 859 4.020 4.221 3.269 1.00 0.00 C ATOM 0 H LEU A 859 5.122 4.626 0.018 1.00 0.00 H new ATOM 0 HA LEU A 859 2.916 5.865 1.460 1.00 0.00 H new ATOM 0 HB2 LEU A 859 5.881 6.503 1.512 1.00 0.00 H new ATOM 0 HB3 LEU A 859 4.680 6.960 2.703 1.00 0.00 H new ATOM 0 HG LEU A 859 5.856 4.229 2.185 1.00 0.00 H new ATOM 0 HD11 LEU A 859 6.388 4.361 4.587 1.00 0.00 H new ATOM 0 HD12 LEU A 859 7.096 5.718 3.679 1.00 0.00 H new ATOM 0 HD13 LEU A 859 5.634 5.971 4.661 1.00 0.00 H new ATOM 0 HD21 LEU A 859 4.272 3.330 3.845 1.00 0.00 H new ATOM 0 HD22 LEU A 859 3.435 4.900 3.889 1.00 0.00 H new ATOM 0 HD23 LEU A 859 3.436 3.935 2.394 1.00 0.00 H new ATOM 938 N LYS A 860 2.734 8.081 0.370 1.00 0.00 N ATOM 939 CA LYS A 860 2.528 9.329 -0.356 1.00 0.00 C ATOM 940 C LYS A 860 3.509 10.399 0.112 1.00 0.00 C ATOM 941 O LYS A 860 3.697 11.417 -0.555 1.00 0.00 O ATOM 942 CB LYS A 860 1.092 9.821 -0.168 1.00 0.00 C ATOM 943 CG LYS A 860 0.045 8.869 -0.720 1.00 0.00 C ATOM 944 CD LYS A 860 -1.341 9.195 -0.190 1.00 0.00 C ATOM 945 CE LYS A 860 -1.972 10.350 -0.953 1.00 0.00 C ATOM 946 NZ LYS A 860 -3.458 10.331 -0.858 1.00 0.00 N ATOM 0 H LYS A 860 2.019 7.876 1.068 1.00 0.00 H new ATOM 0 HA LYS A 860 2.704 9.138 -1.415 1.00 0.00 H new ATOM 0 HB2 LYS A 860 0.906 9.975 0.895 1.00 0.00 H new ATOM 0 HB3 LYS A 860 0.982 10.790 -0.655 1.00 0.00 H new ATOM 0 HG2 LYS A 860 0.041 8.923 -1.809 1.00 0.00 H new ATOM 0 HG3 LYS A 860 0.306 7.845 -0.453 1.00 0.00 H new ATOM 0 HD2 LYS A 860 -1.978 8.314 -0.269 1.00 0.00 H new ATOM 0 HD3 LYS A 860 -1.277 9.448 0.868 1.00 0.00 H new ATOM 0 HE2 LYS A 860 -1.595 11.294 -0.560 1.00 0.00 H new ATOM 0 HE3 LYS A 860 -1.674 10.299 -2.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 860 -3.850 11.134 -1.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 860 -3.820 9.441 -1.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 860 -3.743 10.405 0.139 1.00 0.00 H new ATOM 960 N PHE A 861 4.134 10.162 1.261 1.00 0.00 N ATOM 961 CA PHE A 861 5.096 11.105 1.817 1.00 0.00 C ATOM 962 C PHE A 861 6.469 10.458 1.966 1.00 0.00 C ATOM 963 O PHE A 861 6.594 9.264 2.241 1.00 0.00 O ATOM 964 CB PHE A 861 4.612 11.619 3.175 1.00 0.00 C ATOM 965 CG PHE A 861 4.623 10.572 4.251 1.00 0.00 C ATOM 966 CD1 PHE A 861 5.757 10.360 5.019 1.00 0.00 C ATOM 967 CD2 PHE A 861 3.500 9.797 4.494 1.00 0.00 C ATOM 968 CE1 PHE A 861 5.771 9.397 6.010 1.00 0.00 C ATOM 969 CE2 PHE A 861 3.508 8.833 5.484 1.00 0.00 C ATOM 970 CZ PHE A 861 4.645 8.632 6.242 1.00 0.00 C ATOM 0 H PHE A 861 3.991 9.324 1.825 1.00 0.00 H new ATOM 0 HA PHE A 861 5.183 11.945 1.128 1.00 0.00 H new ATOM 0 HB2 PHE A 861 5.242 12.453 3.484 1.00 0.00 H new ATOM 0 HB3 PHE A 861 3.599 12.007 3.067 1.00 0.00 H new ATOM 0 HD1 PHE A 861 6.641 10.955 4.841 1.00 0.00 H new ATOM 0 HD2 PHE A 861 2.609 9.948 3.903 1.00 0.00 H new ATOM 0 HE1 PHE A 861 6.661 9.243 6.602 1.00 0.00 H new ATOM 0 HE2 PHE A 861 2.626 8.237 5.665 1.00 0.00 H new ATOM 0 HZ PHE A 861 4.653 7.878 7.015 1.00 0.00 H new ATOM 980 N PRO A 862 7.526 11.262 1.779 1.00 0.00 N ATOM 981 CA PRO A 862 8.910 10.790 1.888 1.00 0.00 C ATOM 982 C PRO A 862 9.296 10.453 3.323 1.00 0.00 C ATOM 983 O PRO A 862 8.857 11.111 4.266 1.00 0.00 O ATOM 984 CB PRO A 862 9.730 11.977 1.378 1.00 0.00 C ATOM 985 CG PRO A 862 8.868 13.167 1.623 1.00 0.00 C ATOM 986 CD PRO A 862 7.451 12.695 1.449 1.00 0.00 C ATOM 0 HA PRO A 862 9.072 9.870 1.327 1.00 0.00 H new ATOM 0 HB2 PRO A 862 10.679 12.060 1.908 1.00 0.00 H new ATOM 0 HB3 PRO A 862 9.965 11.870 0.319 1.00 0.00 H new ATOM 0 HG2 PRO A 862 9.027 13.564 2.626 1.00 0.00 H new ATOM 0 HG3 PRO A 862 9.101 13.969 0.922 1.00 0.00 H new ATOM 0 HD2 PRO A 862 6.767 13.225 2.112 1.00 0.00 H new ATOM 0 HD3 PRO A 862 7.096 12.855 0.431 1.00 0.00 H new ATOM 994 N VAL A 863 10.122 9.423 3.483 1.00 0.00 N ATOM 995 CA VAL A 863 10.569 8.999 4.804 1.00 0.00 C ATOM 996 C VAL A 863 12.056 9.275 4.996 1.00 0.00 C ATOM 997 O VAL A 863 12.853 9.114 4.072 1.00 0.00 O ATOM 998 CB VAL A 863 10.303 7.499 5.032 1.00 0.00 C ATOM 999 CG1 VAL A 863 10.938 7.036 6.334 1.00 0.00 C ATOM 1000 CG2 VAL A 863 8.808 7.217 5.029 1.00 0.00 C ATOM 0 H VAL A 863 10.495 8.867 2.713 1.00 0.00 H new ATOM 0 HA VAL A 863 9.998 9.576 5.531 1.00 0.00 H new ATOM 0 HB VAL A 863 10.757 6.939 4.215 1.00 0.00 H new ATOM 0 HG11 VAL A 863 10.740 5.974 6.478 1.00 0.00 H new ATOM 0 HG12 VAL A 863 12.015 7.202 6.293 1.00 0.00 H new ATOM 0 HG13 VAL A 863 10.516 7.600 7.166 1.00 0.00 H new ATOM 0 HG21 VAL A 863 8.638 6.153 5.191 1.00 0.00 H new ATOM 0 HG22 VAL A 863 8.329 7.787 5.825 1.00 0.00 H new ATOM 0 HG23 VAL A 863 8.384 7.510 4.068 1.00 0.00 H new ATOM 1010 N LYS A 864 12.424 9.693 6.202 1.00 0.00 N ATOM 1011 CA LYS A 864 13.816 9.991 6.518 1.00 0.00 C ATOM 1012 C LYS A 864 14.673 8.732 6.437 1.00 0.00 C ATOM 1013 O LYS A 864 14.186 7.610 6.571 1.00 0.00 O ATOM 1014 CB LYS A 864 13.923 10.604 7.916 1.00 0.00 C ATOM 1015 CG LYS A 864 13.487 12.058 7.977 1.00 0.00 C ATOM 1016 CD LYS A 864 14.629 12.997 7.625 1.00 0.00 C ATOM 1017 CE LYS A 864 14.115 14.373 7.226 1.00 0.00 C ATOM 1018 NZ LYS A 864 13.740 15.190 8.413 1.00 0.00 N ATOM 0 H LYS A 864 11.777 9.833 6.978 1.00 0.00 H new ATOM 0 HA LYS A 864 14.184 10.708 5.784 1.00 0.00 H new ATOM 0 HB2 LYS A 864 13.314 10.021 8.607 1.00 0.00 H new ATOM 0 HB3 LYS A 864 14.955 10.528 8.259 1.00 0.00 H new ATOM 0 HG2 LYS A 864 12.657 12.219 7.289 1.00 0.00 H new ATOM 0 HG3 LYS A 864 13.121 12.288 8.978 1.00 0.00 H new ATOM 0 HD2 LYS A 864 15.300 13.091 8.478 1.00 0.00 H new ATOM 0 HD3 LYS A 864 15.211 12.573 6.807 1.00 0.00 H new ATOM 0 HE2 LYS A 864 14.881 14.895 6.653 1.00 0.00 H new ATOM 0 HE3 LYS A 864 13.249 14.262 6.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 864 13.395 16.120 8.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 864 12.991 14.704 8.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 864 14.572 15.318 9.024 1.00 0.00 H new ATOM 1032 N PRO A 865 15.982 8.920 6.212 1.00 0.00 N ATOM 1033 CA PRO A 865 16.935 7.811 6.110 1.00 0.00 C ATOM 1034 C PRO A 865 17.164 7.118 7.449 1.00 0.00 C ATOM 1035 O PRO A 865 17.225 5.891 7.522 1.00 0.00 O ATOM 1036 CB PRO A 865 18.221 8.491 5.633 1.00 0.00 C ATOM 1037 CG PRO A 865 18.099 9.901 6.098 1.00 0.00 C ATOM 1038 CD PRO A 865 16.633 10.230 6.042 1.00 0.00 C ATOM 0 HA PRO A 865 16.578 7.027 5.442 1.00 0.00 H new ATOM 0 HB2 PRO A 865 19.103 8.010 6.055 1.00 0.00 H new ATOM 0 HB3 PRO A 865 18.318 8.439 4.549 1.00 0.00 H new ATOM 0 HG2 PRO A 865 18.486 10.013 7.111 1.00 0.00 H new ATOM 0 HG3 PRO A 865 18.674 10.573 5.461 1.00 0.00 H new ATOM 0 HD2 PRO A 865 16.347 10.926 6.831 1.00 0.00 H new ATOM 0 HD3 PRO A 865 16.361 10.694 5.094 1.00 0.00 H new ATOM 1046 N ALA A 866 17.291 7.913 8.507 1.00 0.00 N ATOM 1047 CA ALA A 866 17.511 7.375 9.844 1.00 0.00 C ATOM 1048 C ALA A 866 16.441 6.351 10.207 1.00 0.00 C ATOM 1049 O ALA A 866 16.730 5.163 10.352 1.00 0.00 O ATOM 1050 CB ALA A 866 17.536 8.500 10.868 1.00 0.00 C ATOM 0 H ALA A 866 17.245 8.931 8.464 1.00 0.00 H new ATOM 0 HA ALA A 866 18.477 6.870 9.851 1.00 0.00 H new ATOM 0 HB1 ALA A 866 17.701 8.084 11.862 1.00 0.00 H new ATOM 0 HB2 ALA A 866 18.341 9.194 10.627 1.00 0.00 H new ATOM 0 HB3 ALA A 866 16.583 9.030 10.850 1.00 0.00 H new ATOM 1056 N ASP A 867 15.206 6.818 10.352 1.00 0.00 N ATOM 1057 CA ASP A 867 14.093 5.942 10.698 1.00 0.00 C ATOM 1058 C ASP A 867 14.026 4.749 9.750 1.00 0.00 C ATOM 1059 O ASP A 867 14.043 3.596 10.183 1.00 0.00 O ATOM 1060 CB ASP A 867 12.775 6.717 10.656 1.00 0.00 C ATOM 1061 CG ASP A 867 12.581 7.595 11.877 1.00 0.00 C ATOM 1062 OD1 ASP A 867 12.776 7.095 13.005 1.00 0.00 O ATOM 1063 OD2 ASP A 867 12.234 8.782 11.705 1.00 0.00 O ATOM 0 H ASP A 867 14.950 7.799 10.235 1.00 0.00 H new ATOM 0 HA ASP A 867 14.255 5.571 11.710 1.00 0.00 H new ATOM 0 HB2 ASP A 867 12.749 7.336 9.759 1.00 0.00 H new ATOM 0 HB3 ASP A 867 11.945 6.014 10.582 1.00 0.00 H new ATOM 1068 N LEU A 868 13.948 5.033 8.454 1.00 0.00 N ATOM 1069 CA LEU A 868 13.877 3.983 7.444 1.00 0.00 C ATOM 1070 C LEU A 868 14.892 2.881 7.731 1.00 0.00 C ATOM 1071 O LEU A 868 14.549 1.699 7.766 1.00 0.00 O ATOM 1072 CB LEU A 868 14.124 4.569 6.053 1.00 0.00 C ATOM 1073 CG LEU A 868 13.753 3.673 4.871 1.00 0.00 C ATOM 1074 CD1 LEU A 868 12.244 3.639 4.680 1.00 0.00 C ATOM 1075 CD2 LEU A 868 14.442 4.150 3.601 1.00 0.00 C ATOM 0 H LEU A 868 13.932 5.981 8.078 1.00 0.00 H new ATOM 0 HA LEU A 868 12.878 3.549 7.477 1.00 0.00 H new ATOM 0 HB2 LEU A 868 13.563 5.499 5.968 1.00 0.00 H new ATOM 0 HB3 LEU A 868 15.180 4.825 5.971 1.00 0.00 H new ATOM 0 HG LEU A 868 14.095 2.661 5.087 1.00 0.00 H new ATOM 0 HD11 LEU A 868 11.999 2.996 3.834 1.00 0.00 H new ATOM 0 HD12 LEU A 868 11.772 3.248 5.581 1.00 0.00 H new ATOM 0 HD13 LEU A 868 11.879 4.648 4.487 1.00 0.00 H new ATOM 0 HD21 LEU A 868 14.166 3.500 2.771 1.00 0.00 H new ATOM 0 HD22 LEU A 868 14.132 5.171 3.381 1.00 0.00 H new ATOM 0 HD23 LEU A 868 15.523 4.121 3.740 1.00 0.00 H new ATOM 1087 N LYS A 869 16.144 3.276 7.939 1.00 0.00 N ATOM 1088 CA LYS A 869 17.209 2.324 8.227 1.00 0.00 C ATOM 1089 C LYS A 869 16.845 1.444 9.419 1.00 0.00 C ATOM 1090 O LYS A 869 16.833 0.217 9.318 1.00 0.00 O ATOM 1091 CB LYS A 869 18.520 3.063 8.507 1.00 0.00 C ATOM 1092 CG LYS A 869 19.277 3.457 7.251 1.00 0.00 C ATOM 1093 CD LYS A 869 20.748 3.700 7.539 1.00 0.00 C ATOM 1094 CE LYS A 869 21.503 2.393 7.727 1.00 0.00 C ATOM 1095 NZ LYS A 869 21.486 1.941 9.146 1.00 0.00 N ATOM 0 H LYS A 869 16.445 4.250 7.913 1.00 0.00 H new ATOM 0 HA LYS A 869 17.338 1.686 7.353 1.00 0.00 H new ATOM 0 HB2 LYS A 869 18.305 3.960 9.088 1.00 0.00 H new ATOM 0 HB3 LYS A 869 19.159 2.431 9.123 1.00 0.00 H new ATOM 0 HG2 LYS A 869 19.177 2.670 6.503 1.00 0.00 H new ATOM 0 HG3 LYS A 869 18.835 4.358 6.826 1.00 0.00 H new ATOM 0 HD2 LYS A 869 21.192 4.263 6.718 1.00 0.00 H new ATOM 0 HD3 LYS A 869 20.848 4.311 8.436 1.00 0.00 H new ATOM 0 HE2 LYS A 869 21.059 1.623 7.095 1.00 0.00 H new ATOM 0 HE3 LYS A 869 22.535 2.519 7.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 869 22.443 1.649 9.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 869 21.168 2.722 9.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 869 20.835 1.137 9.246 1.00 0.00 H new ATOM 1109 N LYS A 870 16.548 2.079 10.548 1.00 0.00 N ATOM 1110 CA LYS A 870 16.180 1.355 11.759 1.00 0.00 C ATOM 1111 C LYS A 870 15.072 0.346 11.475 1.00 0.00 C ATOM 1112 O LYS A 870 15.157 -0.814 11.877 1.00 0.00 O ATOM 1113 CB LYS A 870 15.727 2.333 12.845 1.00 0.00 C ATOM 1114 CG LYS A 870 16.775 3.374 13.201 1.00 0.00 C ATOM 1115 CD LYS A 870 16.307 4.271 14.335 1.00 0.00 C ATOM 1116 CE LYS A 870 15.496 5.448 13.817 1.00 0.00 C ATOM 1117 NZ LYS A 870 15.548 6.610 14.747 1.00 0.00 N ATOM 0 H LYS A 870 16.555 3.094 10.649 1.00 0.00 H new ATOM 0 HA LYS A 870 17.059 0.814 12.109 1.00 0.00 H new ATOM 0 HB2 LYS A 870 14.822 2.840 12.511 1.00 0.00 H new ATOM 0 HB3 LYS A 870 15.465 1.771 13.742 1.00 0.00 H new ATOM 0 HG2 LYS A 870 17.701 2.876 13.488 1.00 0.00 H new ATOM 0 HG3 LYS A 870 16.999 3.981 12.324 1.00 0.00 H new ATOM 0 HD2 LYS A 870 15.703 3.691 15.033 1.00 0.00 H new ATOM 0 HD3 LYS A 870 17.170 4.639 14.889 1.00 0.00 H new ATOM 0 HE2 LYS A 870 15.875 5.748 12.840 1.00 0.00 H new ATOM 0 HE3 LYS A 870 14.460 5.141 13.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 870 14.983 7.392 14.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 870 15.163 6.332 15.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 870 16.534 6.919 14.861 1.00 0.00 H new ATOM 1131 N ARG A 871 14.033 0.796 10.778 1.00 0.00 N ATOM 1132 CA ARG A 871 12.908 -0.068 10.440 1.00 0.00 C ATOM 1133 C ARG A 871 13.386 -1.327 9.722 1.00 0.00 C ATOM 1134 O ARG A 871 12.965 -2.437 10.049 1.00 0.00 O ATOM 1135 CB ARG A 871 11.906 0.684 9.562 1.00 0.00 C ATOM 1136 CG ARG A 871 11.305 1.907 10.234 1.00 0.00 C ATOM 1137 CD ARG A 871 10.203 1.521 11.209 1.00 0.00 C ATOM 1138 NE ARG A 871 10.738 1.110 12.505 1.00 0.00 N ATOM 1139 CZ ARG A 871 9.991 0.954 13.592 1.00 0.00 C ATOM 1140 NH1 ARG A 871 8.685 1.173 13.540 1.00 0.00 N ATOM 1141 NH2 ARG A 871 10.552 0.578 14.735 1.00 0.00 N ATOM 0 H ARG A 871 13.947 1.753 10.437 1.00 0.00 H new ATOM 0 HA ARG A 871 12.418 -0.364 11.367 1.00 0.00 H new ATOM 0 HB2 ARG A 871 12.402 0.993 8.642 1.00 0.00 H new ATOM 0 HB3 ARG A 871 11.103 0.004 9.278 1.00 0.00 H new ATOM 0 HG2 ARG A 871 12.086 2.453 10.763 1.00 0.00 H new ATOM 0 HG3 ARG A 871 10.903 2.579 9.476 1.00 0.00 H new ATOM 0 HD2 ARG A 871 9.528 2.366 11.347 1.00 0.00 H new ATOM 0 HD3 ARG A 871 9.613 0.708 10.786 1.00 0.00 H new ATOM 0 HE ARG A 871 11.740 0.933 12.579 1.00 0.00 H new ATOM 0 HH11 ARG A 871 8.251 1.462 12.663 1.00 0.00 H new ATOM 0 HH12 ARG A 871 8.114 1.052 14.377 1.00 0.00 H new ATOM 0 HH21 ARG A 871 11.557 0.409 14.778 1.00 0.00 H new ATOM 0 HH22 ARG A 871 9.978 0.458 15.570 1.00 0.00 H new ATOM 1155 N ILE A 872 14.266 -1.145 8.744 1.00 0.00 N ATOM 1156 CA ILE A 872 14.801 -2.266 7.981 1.00 0.00 C ATOM 1157 C ILE A 872 15.453 -3.295 8.899 1.00 0.00 C ATOM 1158 O ILE A 872 14.981 -4.426 9.013 1.00 0.00 O ATOM 1159 CB ILE A 872 15.834 -1.797 6.939 1.00 0.00 C ATOM 1160 CG1 ILE A 872 15.147 -0.992 5.835 1.00 0.00 C ATOM 1161 CG2 ILE A 872 16.574 -2.989 6.352 1.00 0.00 C ATOM 1162 CD1 ILE A 872 16.100 -0.139 5.026 1.00 0.00 C ATOM 0 H ILE A 872 14.624 -0.233 8.461 1.00 0.00 H new ATOM 0 HA ILE A 872 13.959 -2.726 7.464 1.00 0.00 H new ATOM 0 HB ILE A 872 16.560 -1.152 7.434 1.00 0.00 H new ATOM 0 HG12 ILE A 872 14.629 -1.678 5.165 1.00 0.00 H new ATOM 0 HG13 ILE A 872 14.389 -0.350 6.283 1.00 0.00 H new ATOM 0 HG21 ILE A 872 17.300 -2.641 5.618 1.00 0.00 H new ATOM 0 HG22 ILE A 872 17.091 -3.524 7.148 1.00 0.00 H new ATOM 0 HG23 ILE A 872 15.862 -3.658 5.869 1.00 0.00 H new ATOM 0 HD11 ILE A 872 15.543 0.404 4.262 1.00 0.00 H new ATOM 0 HD12 ILE A 872 16.600 0.572 5.684 1.00 0.00 H new ATOM 0 HD13 ILE A 872 16.844 -0.777 4.549 1.00 0.00 H new ATOM 1174 N GLU A 873 16.539 -2.893 9.552 1.00 0.00 N ATOM 1175 CA GLU A 873 17.254 -3.781 10.461 1.00 0.00 C ATOM 1176 C GLU A 873 16.288 -4.475 11.417 1.00 0.00 C ATOM 1177 O GLU A 873 16.179 -5.701 11.424 1.00 0.00 O ATOM 1178 CB GLU A 873 18.300 -2.997 11.256 1.00 0.00 C ATOM 1179 CG GLU A 873 19.538 -2.642 10.450 1.00 0.00 C ATOM 1180 CD GLU A 873 20.614 -3.707 10.533 1.00 0.00 C ATOM 1181 OE1 GLU A 873 20.329 -4.869 10.176 1.00 0.00 O ATOM 1182 OE2 GLU A 873 21.742 -3.378 10.956 1.00 0.00 O ATOM 0 H GLU A 873 16.942 -1.960 9.469 1.00 0.00 H new ATOM 0 HA GLU A 873 17.756 -4.542 9.864 1.00 0.00 H new ATOM 0 HB2 GLU A 873 17.846 -2.080 11.631 1.00 0.00 H new ATOM 0 HB3 GLU A 873 18.598 -3.584 12.125 1.00 0.00 H new ATOM 0 HG2 GLU A 873 19.258 -2.495 9.407 1.00 0.00 H new ATOM 0 HG3 GLU A 873 19.941 -1.695 10.809 1.00 0.00 H new ATOM 1189 N SER A 874 15.589 -3.682 12.222 1.00 0.00 N ATOM 1190 CA SER A 874 14.635 -4.219 13.185 1.00 0.00 C ATOM 1191 C SER A 874 13.806 -5.338 12.562 1.00 0.00 C ATOM 1192 O SER A 874 13.927 -6.503 12.944 1.00 0.00 O ATOM 1193 CB SER A 874 13.713 -3.110 13.695 1.00 0.00 C ATOM 1194 OG SER A 874 13.083 -2.435 12.620 1.00 0.00 O ATOM 0 H SER A 874 15.665 -2.665 12.227 1.00 0.00 H new ATOM 0 HA SER A 874 15.196 -4.630 14.024 1.00 0.00 H new ATOM 0 HB2 SER A 874 12.957 -3.536 14.354 1.00 0.00 H new ATOM 0 HB3 SER A 874 14.288 -2.399 14.288 1.00 0.00 H new ATOM 0 HG SER A 874 13.692 -1.758 12.257 1.00 0.00 H new ATOM 1200 N LEU A 875 12.963 -4.976 11.601 1.00 0.00 N ATOM 1201 CA LEU A 875 12.113 -5.949 10.923 1.00 0.00 C ATOM 1202 C LEU A 875 12.867 -7.251 10.673 1.00 0.00 C ATOM 1203 O LEU A 875 12.387 -8.332 11.014 1.00 0.00 O ATOM 1204 CB LEU A 875 11.606 -5.376 9.598 1.00 0.00 C ATOM 1205 CG LEU A 875 10.502 -4.323 9.700 1.00 0.00 C ATOM 1206 CD1 LEU A 875 10.284 -3.646 8.355 1.00 0.00 C ATOM 1207 CD2 LEU A 875 9.209 -4.952 10.198 1.00 0.00 C ATOM 0 H LEU A 875 12.850 -4.017 11.274 1.00 0.00 H new ATOM 0 HA LEU A 875 11.261 -6.163 11.569 1.00 0.00 H new ATOM 0 HB2 LEU A 875 12.451 -4.937 9.068 1.00 0.00 H new ATOM 0 HB3 LEU A 875 11.239 -6.200 8.986 1.00 0.00 H new ATOM 0 HG LEU A 875 10.814 -3.565 10.419 1.00 0.00 H new ATOM 0 HD11 LEU A 875 9.495 -2.900 8.447 1.00 0.00 H new ATOM 0 HD12 LEU A 875 11.207 -3.161 8.038 1.00 0.00 H new ATOM 0 HD13 LEU A 875 9.994 -4.392 7.615 1.00 0.00 H new ATOM 0 HD21 LEU A 875 8.435 -4.188 10.264 1.00 0.00 H new ATOM 0 HD22 LEU A 875 8.892 -5.730 9.504 1.00 0.00 H new ATOM 0 HD23 LEU A 875 9.373 -5.389 11.183 1.00 0.00 H new ATOM 1219 N ILE A 876 14.049 -7.139 10.077 1.00 0.00 N ATOM 1220 CA ILE A 876 14.870 -8.307 9.785 1.00 0.00 C ATOM 1221 C ILE A 876 15.083 -9.155 11.034 1.00 0.00 C ATOM 1222 O ILE A 876 15.112 -10.384 10.964 1.00 0.00 O ATOM 1223 CB ILE A 876 16.242 -7.902 9.213 1.00 0.00 C ATOM 1224 CG1 ILE A 876 16.073 -7.247 7.840 1.00 0.00 C ATOM 1225 CG2 ILE A 876 17.156 -9.114 9.119 1.00 0.00 C ATOM 1226 CD1 ILE A 876 17.321 -6.548 7.347 1.00 0.00 C ATOM 0 H ILE A 876 14.459 -6.251 9.787 1.00 0.00 H new ATOM 0 HA ILE A 876 14.333 -8.892 9.039 1.00 0.00 H new ATOM 0 HB ILE A 876 16.700 -7.178 9.886 1.00 0.00 H new ATOM 0 HG12 ILE A 876 15.783 -8.009 7.116 1.00 0.00 H new ATOM 0 HG13 ILE A 876 15.257 -6.526 7.888 1.00 0.00 H new ATOM 0 HG21 ILE A 876 18.121 -8.811 8.713 1.00 0.00 H new ATOM 0 HG22 ILE A 876 17.298 -9.541 10.112 1.00 0.00 H new ATOM 0 HG23 ILE A 876 16.705 -9.860 8.464 1.00 0.00 H new ATOM 0 HD11 ILE A 876 17.129 -6.107 6.369 1.00 0.00 H new ATOM 0 HD12 ILE A 876 17.601 -5.764 8.050 1.00 0.00 H new ATOM 0 HD13 ILE A 876 18.134 -7.269 7.266 1.00 0.00 H new ATOM 1238 N ASP A 877 15.230 -8.492 12.175 1.00 0.00 N ATOM 1239 CA ASP A 877 15.438 -9.185 13.441 1.00 0.00 C ATOM 1240 C ASP A 877 14.105 -9.601 14.058 1.00 0.00 C ATOM 1241 O ASP A 877 14.069 -10.343 15.039 1.00 0.00 O ATOM 1242 CB ASP A 877 16.208 -8.293 14.415 1.00 0.00 C ATOM 1243 CG ASP A 877 16.969 -9.093 15.455 1.00 0.00 C ATOM 1244 OD1 ASP A 877 16.317 -9.779 16.269 1.00 0.00 O ATOM 1245 OD2 ASP A 877 18.217 -9.032 15.454 1.00 0.00 O ATOM 0 H ASP A 877 15.209 -7.475 12.250 1.00 0.00 H new ATOM 0 HA ASP A 877 16.023 -10.083 13.243 1.00 0.00 H new ATOM 0 HB2 ASP A 877 16.907 -7.670 13.857 1.00 0.00 H new ATOM 0 HB3 ASP A 877 15.511 -7.621 14.916 1.00 0.00 H new ATOM 1250 N ARG A 878 13.013 -9.117 13.475 1.00 0.00 N ATOM 1251 CA ARG A 878 11.679 -9.436 13.969 1.00 0.00 C ATOM 1252 C ARG A 878 11.234 -10.812 13.481 1.00 0.00 C ATOM 1253 O ARG A 878 10.060 -11.169 13.586 1.00 0.00 O ATOM 1254 CB ARG A 878 10.676 -8.373 13.516 1.00 0.00 C ATOM 1255 CG ARG A 878 10.946 -6.995 14.097 1.00 0.00 C ATOM 1256 CD ARG A 878 11.120 -7.051 15.606 1.00 0.00 C ATOM 1257 NE ARG A 878 9.975 -7.672 16.267 1.00 0.00 N ATOM 1258 CZ ARG A 878 9.739 -7.579 17.571 1.00 0.00 C ATOM 1259 NH1 ARG A 878 10.564 -6.894 18.350 1.00 0.00 N ATOM 1260 NH2 ARG A 878 8.675 -8.172 18.098 1.00 0.00 N ATOM 0 H ARG A 878 13.026 -8.503 12.661 1.00 0.00 H new ATOM 0 HA ARG A 878 11.716 -9.450 15.058 1.00 0.00 H new ATOM 0 HB2 ARG A 878 10.693 -8.309 12.428 1.00 0.00 H new ATOM 0 HB3 ARG A 878 9.672 -8.688 13.801 1.00 0.00 H new ATOM 0 HG2 ARG A 878 11.843 -6.576 13.642 1.00 0.00 H new ATOM 0 HG3 ARG A 878 10.121 -6.327 13.849 1.00 0.00 H new ATOM 0 HD2 ARG A 878 12.024 -7.610 15.846 1.00 0.00 H new ATOM 0 HD3 ARG A 878 11.258 -6.041 15.993 1.00 0.00 H new ATOM 0 HE ARG A 878 9.321 -8.207 15.696 1.00 0.00 H new ATOM 0 HH11 ARG A 878 11.383 -6.437 17.949 1.00 0.00 H new ATOM 0 HH12 ARG A 878 10.380 -6.824 19.351 1.00 0.00 H new ATOM 0 HH21 ARG A 878 8.038 -8.700 17.502 1.00 0.00 H new ATOM 0 HH22 ARG A 878 8.495 -8.100 19.099 1.00 0.00 H new ATOM 1274 N ASP A 879 12.178 -11.579 12.948 1.00 0.00 N ATOM 1275 CA ASP A 879 11.884 -12.916 12.444 1.00 0.00 C ATOM 1276 C ASP A 879 11.013 -12.845 11.194 1.00 0.00 C ATOM 1277 O ASP A 879 10.155 -13.701 10.974 1.00 0.00 O ATOM 1278 CB ASP A 879 11.186 -13.747 13.521 1.00 0.00 C ATOM 1279 CG ASP A 879 11.901 -13.684 14.857 1.00 0.00 C ATOM 1280 OD1 ASP A 879 12.491 -12.626 15.164 1.00 0.00 O ATOM 1281 OD2 ASP A 879 11.871 -14.691 15.594 1.00 0.00 O ATOM 0 H ASP A 879 13.154 -11.298 12.853 1.00 0.00 H new ATOM 0 HA ASP A 879 12.827 -13.395 12.181 1.00 0.00 H new ATOM 0 HB2 ASP A 879 10.163 -13.392 13.643 1.00 0.00 H new ATOM 0 HB3 ASP A 879 11.126 -14.785 13.193 1.00 0.00 H new ATOM 1286 N TYR A 880 11.238 -11.821 10.379 1.00 0.00 N ATOM 1287 CA TYR A 880 10.471 -11.637 9.153 1.00 0.00 C ATOM 1288 C TYR A 880 11.375 -11.727 7.927 1.00 0.00 C ATOM 1289 O TYR A 880 10.962 -12.208 6.872 1.00 0.00 O ATOM 1290 CB TYR A 880 9.754 -10.286 9.173 1.00 0.00 C ATOM 1291 CG TYR A 880 8.721 -10.165 10.270 1.00 0.00 C ATOM 1292 CD1 TYR A 880 7.869 -11.221 10.569 1.00 0.00 C ATOM 1293 CD2 TYR A 880 8.598 -8.995 11.010 1.00 0.00 C ATOM 1294 CE1 TYR A 880 6.923 -11.114 11.570 1.00 0.00 C ATOM 1295 CE2 TYR A 880 7.656 -8.880 12.014 1.00 0.00 C ATOM 1296 CZ TYR A 880 6.821 -9.942 12.290 1.00 0.00 C ATOM 1297 OH TYR A 880 5.882 -9.833 13.290 1.00 0.00 O ATOM 0 H TYR A 880 11.946 -11.105 10.545 1.00 0.00 H new ATOM 0 HA TYR A 880 9.729 -12.434 9.095 1.00 0.00 H new ATOM 0 HB2 TYR A 880 10.493 -9.494 9.292 1.00 0.00 H new ATOM 0 HB3 TYR A 880 9.269 -10.127 8.210 1.00 0.00 H new ATOM 0 HD1 TYR A 880 7.948 -12.141 10.009 1.00 0.00 H new ATOM 0 HD2 TYR A 880 9.250 -8.161 10.796 1.00 0.00 H new ATOM 0 HE1 TYR A 880 6.267 -11.944 11.788 1.00 0.00 H new ATOM 0 HE2 TYR A 880 7.574 -7.964 12.579 1.00 0.00 H new ATOM 0 HH TYR A 880 5.942 -8.945 13.700 1.00 0.00 H new ATOM 1307 N MET A 881 12.610 -11.261 8.075 1.00 0.00 N ATOM 1308 CA MET A 881 13.574 -11.291 6.981 1.00 0.00 C ATOM 1309 C MET A 881 14.938 -11.767 7.471 1.00 0.00 C ATOM 1310 O MET A 881 15.187 -11.832 8.674 1.00 0.00 O ATOM 1311 CB MET A 881 13.703 -9.904 6.349 1.00 0.00 C ATOM 1312 CG MET A 881 12.375 -9.316 5.898 1.00 0.00 C ATOM 1313 SD MET A 881 11.574 -10.307 4.623 1.00 0.00 S ATOM 1314 CE MET A 881 12.670 -10.023 3.235 1.00 0.00 C ATOM 0 H MET A 881 12.967 -10.858 8.941 1.00 0.00 H new ATOM 0 HA MET A 881 13.212 -11.993 6.230 1.00 0.00 H new ATOM 0 HB2 MET A 881 14.165 -9.228 7.068 1.00 0.00 H new ATOM 0 HB3 MET A 881 14.374 -9.965 5.492 1.00 0.00 H new ATOM 0 HG2 MET A 881 11.710 -9.230 6.757 1.00 0.00 H new ATOM 0 HG3 MET A 881 12.539 -8.307 5.519 1.00 0.00 H new ATOM 0 HE1 MET A 881 12.347 -10.627 2.387 1.00 0.00 H new ATOM 0 HE2 MET A 881 12.643 -8.969 2.960 1.00 0.00 H new ATOM 0 HE3 MET A 881 13.687 -10.300 3.512 1.00 0.00 H new ATOM 1324 N GLU A 882 15.817 -12.100 6.530 1.00 0.00 N ATOM 1325 CA GLU A 882 17.154 -12.572 6.868 1.00 0.00 C ATOM 1326 C GLU A 882 18.185 -12.041 5.876 1.00 0.00 C ATOM 1327 O GLU A 882 17.931 -11.982 4.673 1.00 0.00 O ATOM 1328 CB GLU A 882 17.190 -14.102 6.888 1.00 0.00 C ATOM 1329 CG GLU A 882 16.962 -14.734 5.525 1.00 0.00 C ATOM 1330 CD GLU A 882 17.351 -16.199 5.489 1.00 0.00 C ATOM 1331 OE1 GLU A 882 18.562 -16.490 5.407 1.00 0.00 O ATOM 1332 OE2 GLU A 882 16.443 -17.054 5.544 1.00 0.00 O ATOM 0 H GLU A 882 15.627 -12.051 5.529 1.00 0.00 H new ATOM 0 HA GLU A 882 17.403 -12.197 7.861 1.00 0.00 H new ATOM 0 HB2 GLU A 882 18.155 -14.429 7.274 1.00 0.00 H new ATOM 0 HB3 GLU A 882 16.430 -14.466 7.580 1.00 0.00 H new ATOM 0 HG2 GLU A 882 15.911 -14.634 5.254 1.00 0.00 H new ATOM 0 HG3 GLU A 882 17.538 -14.191 4.776 1.00 0.00 H new ATOM 1339 N ARG A 883 19.349 -11.656 6.390 1.00 0.00 N ATOM 1340 CA ARG A 883 20.417 -11.128 5.550 1.00 0.00 C ATOM 1341 C ARG A 883 21.115 -12.251 4.789 1.00 0.00 C ATOM 1342 O ARG A 883 21.646 -13.186 5.390 1.00 0.00 O ATOM 1343 CB ARG A 883 21.434 -10.366 6.401 1.00 0.00 C ATOM 1344 CG ARG A 883 20.941 -9.006 6.868 1.00 0.00 C ATOM 1345 CD ARG A 883 21.973 -8.307 7.739 1.00 0.00 C ATOM 1346 NE ARG A 883 21.789 -6.859 7.751 1.00 0.00 N ATOM 1347 CZ ARG A 883 22.663 -6.011 8.282 1.00 0.00 C ATOM 1348 NH1 ARG A 883 23.776 -6.465 8.842 1.00 0.00 N ATOM 1349 NH2 ARG A 883 22.425 -4.706 8.253 1.00 0.00 N ATOM 0 H ARG A 883 19.576 -11.700 7.383 1.00 0.00 H new ATOM 0 HA ARG A 883 19.972 -10.444 4.827 1.00 0.00 H new ATOM 0 HB2 ARG A 883 21.690 -10.969 7.272 1.00 0.00 H new ATOM 0 HB3 ARG A 883 22.350 -10.233 5.825 1.00 0.00 H new ATOM 0 HG2 ARG A 883 20.713 -8.384 6.003 1.00 0.00 H new ATOM 0 HG3 ARG A 883 20.013 -9.127 7.427 1.00 0.00 H new ATOM 0 HD2 ARG A 883 21.906 -8.689 8.758 1.00 0.00 H new ATOM 0 HD3 ARG A 883 22.973 -8.542 7.375 1.00 0.00 H new ATOM 0 HE ARG A 883 20.943 -6.477 7.328 1.00 0.00 H new ATOM 0 HH11 ARG A 883 23.963 -7.467 8.866 1.00 0.00 H new ATOM 0 HH12 ARG A 883 24.445 -5.812 9.249 1.00 0.00 H new ATOM 0 HH21 ARG A 883 21.570 -4.353 7.823 1.00 0.00 H new ATOM 0 HH22 ARG A 883 23.097 -4.056 8.661 1.00 0.00 H new ATOM 1363 N ASP A 884 21.110 -12.153 3.464 1.00 0.00 N ATOM 1364 CA ASP A 884 21.743 -13.160 2.620 1.00 0.00 C ATOM 1365 C ASP A 884 23.158 -13.463 3.104 1.00 0.00 C ATOM 1366 O ASP A 884 24.046 -12.613 3.032 1.00 0.00 O ATOM 1367 CB ASP A 884 21.778 -12.689 1.166 1.00 0.00 C ATOM 1368 CG ASP A 884 22.287 -13.760 0.222 1.00 0.00 C ATOM 1369 OD1 ASP A 884 22.225 -14.953 0.588 1.00 0.00 O ATOM 1370 OD2 ASP A 884 22.747 -13.407 -0.884 1.00 0.00 O ATOM 0 H ASP A 884 20.675 -11.386 2.951 1.00 0.00 H new ATOM 0 HA ASP A 884 21.153 -14.074 2.683 1.00 0.00 H new ATOM 0 HB2 ASP A 884 20.776 -12.386 0.861 1.00 0.00 H new ATOM 0 HB3 ASP A 884 22.415 -11.808 1.088 1.00 0.00 H new ATOM 1375 N LYS A 885 23.361 -14.680 3.598 1.00 0.00 N ATOM 1376 CA LYS A 885 24.667 -15.097 4.094 1.00 0.00 C ATOM 1377 C LYS A 885 25.786 -14.523 3.230 1.00 0.00 C ATOM 1378 O LYS A 885 26.899 -14.303 3.706 1.00 0.00 O ATOM 1379 CB LYS A 885 24.761 -16.624 4.122 1.00 0.00 C ATOM 1380 CG LYS A 885 24.237 -17.242 5.407 1.00 0.00 C ATOM 1381 CD LYS A 885 25.327 -17.344 6.461 1.00 0.00 C ATOM 1382 CE LYS A 885 24.929 -18.290 7.584 1.00 0.00 C ATOM 1383 NZ LYS A 885 23.806 -17.746 8.397 1.00 0.00 N ATOM 0 H LYS A 885 22.637 -15.395 3.665 1.00 0.00 H new ATOM 0 HA LYS A 885 24.782 -14.714 5.108 1.00 0.00 H new ATOM 0 HB2 LYS A 885 24.202 -17.030 3.279 1.00 0.00 H new ATOM 0 HB3 LYS A 885 25.802 -16.918 3.985 1.00 0.00 H new ATOM 0 HG2 LYS A 885 23.413 -16.641 5.791 1.00 0.00 H new ATOM 0 HG3 LYS A 885 23.837 -18.234 5.198 1.00 0.00 H new ATOM 0 HD2 LYS A 885 26.250 -17.694 5.999 1.00 0.00 H new ATOM 0 HD3 LYS A 885 25.531 -16.355 6.872 1.00 0.00 H new ATOM 0 HE2 LYS A 885 24.639 -19.252 7.162 1.00 0.00 H new ATOM 0 HE3 LYS A 885 25.789 -18.471 8.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 885 23.565 -18.420 9.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 885 24.091 -16.840 8.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 885 22.976 -17.597 7.788 1.00 0.00 H new ATOM 1397 N GLU A 886 25.481 -14.283 1.958 1.00 0.00 N ATOM 1398 CA GLU A 886 26.461 -13.735 1.029 1.00 0.00 C ATOM 1399 C GLU A 886 26.784 -12.284 1.372 1.00 0.00 C ATOM 1400 O GLU A 886 27.928 -11.946 1.673 1.00 0.00 O ATOM 1401 CB GLU A 886 25.943 -13.828 -0.408 1.00 0.00 C ATOM 1402 CG GLU A 886 26.321 -15.122 -1.109 1.00 0.00 C ATOM 1403 CD GLU A 886 26.471 -14.950 -2.608 1.00 0.00 C ATOM 1404 OE1 GLU A 886 25.610 -14.283 -3.219 1.00 0.00 O ATOM 1405 OE2 GLU A 886 27.450 -15.484 -3.171 1.00 0.00 O ATOM 0 H GLU A 886 24.564 -14.460 1.548 1.00 0.00 H new ATOM 0 HA GLU A 886 27.375 -14.323 1.117 1.00 0.00 H new ATOM 0 HB2 GLU A 886 24.857 -13.732 -0.401 1.00 0.00 H new ATOM 0 HB3 GLU A 886 26.333 -12.987 -0.981 1.00 0.00 H new ATOM 0 HG2 GLU A 886 27.257 -15.496 -0.694 1.00 0.00 H new ATOM 0 HG3 GLU A 886 25.560 -15.876 -0.908 1.00 0.00 H new ATOM 1412 N ASN A 887 25.767 -11.430 1.324 1.00 0.00 N ATOM 1413 CA ASN A 887 25.941 -10.014 1.628 1.00 0.00 C ATOM 1414 C ASN A 887 24.724 -9.461 2.362 1.00 0.00 C ATOM 1415 O ASN A 887 23.579 -9.802 2.061 1.00 0.00 O ATOM 1416 CB ASN A 887 26.180 -9.220 0.342 1.00 0.00 C ATOM 1417 CG ASN A 887 27.582 -9.412 -0.204 1.00 0.00 C ATOM 1418 OD1 ASN A 887 27.790 -10.155 -1.163 1.00 0.00 O ATOM 1419 ND2 ASN A 887 28.551 -8.741 0.407 1.00 0.00 N ATOM 0 H ASN A 887 24.813 -11.694 1.077 1.00 0.00 H new ATOM 0 HA ASN A 887 26.811 -9.912 2.277 1.00 0.00 H new ATOM 0 HB2 ASN A 887 25.454 -9.527 -0.411 1.00 0.00 H new ATOM 0 HB3 ASN A 887 26.010 -8.161 0.535 1.00 0.00 H new ATOM 0 HD21 ASN A 887 29.515 -8.830 0.085 1.00 0.00 H new ATOM 0 HD22 ASN A 887 28.332 -8.136 1.199 1.00 0.00 H new ATOM 1426 N PRO A 888 24.973 -8.587 3.348 1.00 0.00 N ATOM 1427 CA PRO A 888 23.910 -7.967 4.145 1.00 0.00 C ATOM 1428 C PRO A 888 23.087 -6.970 3.336 1.00 0.00 C ATOM 1429 O PRO A 888 22.144 -6.370 3.850 1.00 0.00 O ATOM 1430 CB PRO A 888 24.675 -7.249 5.259 1.00 0.00 C ATOM 1431 CG PRO A 888 26.024 -6.985 4.684 1.00 0.00 C ATOM 1432 CD PRO A 888 26.313 -8.136 3.761 1.00 0.00 C ATOM 0 HA PRO A 888 23.191 -8.701 4.508 1.00 0.00 H new ATOM 0 HB2 PRO A 888 24.179 -6.322 5.546 1.00 0.00 H new ATOM 0 HB3 PRO A 888 24.741 -7.866 6.155 1.00 0.00 H new ATOM 0 HG2 PRO A 888 26.040 -6.038 4.144 1.00 0.00 H new ATOM 0 HG3 PRO A 888 26.776 -6.916 5.470 1.00 0.00 H new ATOM 0 HD2 PRO A 888 26.913 -7.825 2.906 1.00 0.00 H new ATOM 0 HD3 PRO A 888 26.865 -8.928 4.267 1.00 0.00 H new ATOM 1440 N ASN A 889 23.450 -6.800 2.069 1.00 0.00 N ATOM 1441 CA ASN A 889 22.744 -5.875 1.190 1.00 0.00 C ATOM 1442 C ASN A 889 21.447 -6.495 0.676 1.00 0.00 C ATOM 1443 O ASN A 889 20.517 -5.785 0.296 1.00 0.00 O ATOM 1444 CB ASN A 889 23.635 -5.479 0.011 1.00 0.00 C ATOM 1445 CG ASN A 889 24.845 -4.675 0.445 1.00 0.00 C ATOM 1446 OD1 ASN A 889 25.863 -5.235 0.852 1.00 0.00 O ATOM 1447 ND2 ASN A 889 24.738 -3.354 0.361 1.00 0.00 N ATOM 0 H ASN A 889 24.228 -7.290 1.628 1.00 0.00 H new ATOM 0 HA ASN A 889 22.496 -4.983 1.766 1.00 0.00 H new ATOM 0 HB2 ASN A 889 23.967 -6.378 -0.508 1.00 0.00 H new ATOM 0 HB3 ASN A 889 23.052 -4.896 -0.702 1.00 0.00 H new ATOM 0 HD21 ASN A 889 25.519 -2.760 0.640 1.00 0.00 H new ATOM 0 HD22 ASN A 889 23.875 -2.933 0.018 1.00 0.00 H new ATOM 1454 N GLN A 890 21.395 -7.823 0.670 1.00 0.00 N ATOM 1455 CA GLN A 890 20.213 -8.538 0.203 1.00 0.00 C ATOM 1456 C GLN A 890 19.459 -9.164 1.372 1.00 0.00 C ATOM 1457 O GLN A 890 20.066 -9.641 2.331 1.00 0.00 O ATOM 1458 CB GLN A 890 20.610 -9.620 -0.802 1.00 0.00 C ATOM 1459 CG GLN A 890 19.501 -10.619 -1.090 1.00 0.00 C ATOM 1460 CD GLN A 890 19.611 -11.232 -2.472 1.00 0.00 C ATOM 1461 OE1 GLN A 890 19.606 -10.525 -3.480 1.00 0.00 O ATOM 1462 NE2 GLN A 890 19.712 -12.555 -2.526 1.00 0.00 N ATOM 0 H GLN A 890 22.157 -8.425 0.983 1.00 0.00 H new ATOM 0 HA GLN A 890 19.555 -7.821 -0.288 1.00 0.00 H new ATOM 0 HB2 GLN A 890 20.911 -9.144 -1.736 1.00 0.00 H new ATOM 0 HB3 GLN A 890 21.480 -10.155 -0.422 1.00 0.00 H new ATOM 0 HG2 GLN A 890 19.528 -11.412 -0.342 1.00 0.00 H new ATOM 0 HG3 GLN A 890 18.536 -10.122 -0.993 1.00 0.00 H new ATOM 0 HE21 GLN A 890 19.712 -13.102 -1.665 1.00 0.00 H new ATOM 0 HE22 GLN A 890 19.790 -13.024 -3.428 1.00 0.00 H new ATOM 1471 N TYR A 891 18.134 -9.159 1.285 1.00 0.00 N ATOM 1472 CA TYR A 891 17.297 -9.725 2.336 1.00 0.00 C ATOM 1473 C TYR A 891 16.369 -10.799 1.776 1.00 0.00 C ATOM 1474 O TYR A 891 15.905 -10.703 0.641 1.00 0.00 O ATOM 1475 CB TYR A 891 16.474 -8.625 3.009 1.00 0.00 C ATOM 1476 CG TYR A 891 17.256 -7.357 3.270 1.00 0.00 C ATOM 1477 CD1 TYR A 891 18.447 -7.387 3.986 1.00 0.00 C ATOM 1478 CD2 TYR A 891 16.805 -6.130 2.800 1.00 0.00 C ATOM 1479 CE1 TYR A 891 19.164 -6.231 4.227 1.00 0.00 C ATOM 1480 CE2 TYR A 891 17.517 -4.970 3.035 1.00 0.00 C ATOM 1481 CZ TYR A 891 18.695 -5.025 3.750 1.00 0.00 C ATOM 1482 OH TYR A 891 19.408 -3.872 3.987 1.00 0.00 O ATOM 0 H TYR A 891 17.616 -8.769 0.497 1.00 0.00 H new ATOM 0 HA TYR A 891 17.951 -10.186 3.076 1.00 0.00 H new ATOM 0 HB2 TYR A 891 15.615 -8.389 2.380 1.00 0.00 H new ATOM 0 HB3 TYR A 891 16.083 -9.002 3.954 1.00 0.00 H new ATOM 0 HD1 TYR A 891 18.818 -8.330 4.360 1.00 0.00 H new ATOM 0 HD2 TYR A 891 15.882 -6.082 2.241 1.00 0.00 H new ATOM 0 HE1 TYR A 891 20.087 -6.272 4.786 1.00 0.00 H new ATOM 0 HE2 TYR A 891 17.153 -4.025 2.661 1.00 0.00 H new ATOM 0 HH TYR A 891 18.942 -3.110 3.583 1.00 0.00 H new ATOM 1492 N ASN A 892 16.103 -11.821 2.582 1.00 0.00 N ATOM 1493 CA ASN A 892 15.231 -12.914 2.169 1.00 0.00 C ATOM 1494 C ASN A 892 13.991 -12.986 3.054 1.00 0.00 C ATOM 1495 O ASN A 892 13.975 -12.450 4.163 1.00 0.00 O ATOM 1496 CB ASN A 892 15.986 -14.244 2.221 1.00 0.00 C ATOM 1497 CG ASN A 892 17.268 -14.213 1.411 1.00 0.00 C ATOM 1498 OD1 ASN A 892 17.270 -14.521 0.219 1.00 0.00 O ATOM 1499 ND2 ASN A 892 18.366 -13.842 2.057 1.00 0.00 N ATOM 0 H ASN A 892 16.479 -11.915 3.525 1.00 0.00 H new ATOM 0 HA ASN A 892 14.913 -12.724 1.144 1.00 0.00 H new ATOM 0 HB2 ASN A 892 16.220 -14.485 3.258 1.00 0.00 H new ATOM 0 HB3 ASN A 892 15.342 -15.039 1.846 1.00 0.00 H new ATOM 0 HD21 ASN A 892 19.259 -13.803 1.565 1.00 0.00 H new ATOM 0 HD22 ASN A 892 18.317 -13.595 3.046 1.00 0.00 H new ATOM 1506 N TYR A 893 12.954 -13.651 2.558 1.00 0.00 N ATOM 1507 CA TYR A 893 11.708 -13.791 3.303 1.00 0.00 C ATOM 1508 C TYR A 893 11.726 -15.052 4.162 1.00 0.00 C ATOM 1509 O TYR A 893 12.089 -16.131 3.693 1.00 0.00 O ATOM 1510 CB TYR A 893 10.518 -13.832 2.343 1.00 0.00 C ATOM 1511 CG TYR A 893 9.177 -13.867 3.043 1.00 0.00 C ATOM 1512 CD1 TYR A 893 8.758 -12.805 3.835 1.00 0.00 C ATOM 1513 CD2 TYR A 893 8.331 -14.961 2.912 1.00 0.00 C ATOM 1514 CE1 TYR A 893 7.535 -12.832 4.477 1.00 0.00 C ATOM 1515 CE2 TYR A 893 7.106 -14.996 3.548 1.00 0.00 C ATOM 1516 CZ TYR A 893 6.712 -13.930 4.330 1.00 0.00 C ATOM 1517 OH TYR A 893 5.493 -13.962 4.966 1.00 0.00 O ATOM 0 H TYR A 893 12.951 -14.102 1.643 1.00 0.00 H new ATOM 0 HA TYR A 893 11.607 -12.927 3.960 1.00 0.00 H new ATOM 0 HB2 TYR A 893 10.556 -12.958 1.692 1.00 0.00 H new ATOM 0 HB3 TYR A 893 10.608 -14.710 1.703 1.00 0.00 H new ATOM 0 HD1 TYR A 893 9.399 -11.944 3.951 1.00 0.00 H new ATOM 0 HD2 TYR A 893 8.637 -15.798 2.302 1.00 0.00 H new ATOM 0 HE1 TYR A 893 7.225 -11.999 5.090 1.00 0.00 H new ATOM 0 HE2 TYR A 893 6.460 -15.854 3.434 1.00 0.00 H new ATOM 0 HH TYR A 893 5.462 -14.728 5.576 1.00 0.00 H new ATOM 1527 N ILE A 894 11.332 -14.906 5.422 1.00 0.00 N ATOM 1528 CA ILE A 894 11.301 -16.032 6.348 1.00 0.00 C ATOM 1529 C ILE A 894 9.910 -16.213 6.947 1.00 0.00 C ATOM 1530 O ILE A 894 9.417 -17.334 7.070 1.00 0.00 O ATOM 1531 CB ILE A 894 12.320 -15.852 7.488 1.00 0.00 C ATOM 1532 CG1 ILE A 894 12.377 -14.386 7.924 1.00 0.00 C ATOM 1533 CG2 ILE A 894 13.695 -16.334 7.051 1.00 0.00 C ATOM 1534 CD1 ILE A 894 13.432 -14.108 8.972 1.00 0.00 C ATOM 0 H ILE A 894 11.030 -14.019 5.826 1.00 0.00 H new ATOM 0 HA ILE A 894 11.565 -16.920 5.774 1.00 0.00 H new ATOM 0 HB ILE A 894 12.000 -16.453 8.339 1.00 0.00 H new ATOM 0 HG12 ILE A 894 12.571 -13.763 7.051 1.00 0.00 H new ATOM 0 HG13 ILE A 894 11.402 -14.093 8.315 1.00 0.00 H new ATOM 0 HG21 ILE A 894 14.404 -16.200 7.868 1.00 0.00 H new ATOM 0 HG22 ILE A 894 13.643 -17.390 6.785 1.00 0.00 H new ATOM 0 HG23 ILE A 894 14.025 -15.758 6.186 1.00 0.00 H new ATOM 0 HD11 ILE A 894 13.415 -13.050 9.233 1.00 0.00 H new ATOM 0 HD12 ILE A 894 13.228 -14.705 9.861 1.00 0.00 H new ATOM 0 HD13 ILE A 894 14.414 -14.369 8.578 1.00 0.00 H new ATOM 1546 N ALA A 895 9.283 -15.102 7.317 1.00 0.00 N ATOM 1547 CA ALA A 895 7.947 -15.137 7.900 1.00 0.00 C ATOM 1548 C ALA A 895 7.093 -16.221 7.252 1.00 0.00 C ATOM 1549 O ALA A 895 6.983 -16.289 6.028 1.00 0.00 O ATOM 1550 CB ALA A 895 7.274 -13.779 7.760 1.00 0.00 C ATOM 0 H ALA A 895 9.678 -14.166 7.224 1.00 0.00 H new ATOM 0 HA ALA A 895 8.046 -15.374 8.959 1.00 0.00 H new ATOM 0 HB1 ALA A 895 6.277 -13.820 8.200 1.00 0.00 H new ATOM 0 HB2 ALA A 895 7.867 -13.024 8.276 1.00 0.00 H new ATOM 0 HB3 ALA A 895 7.195 -13.519 6.704 1.00 0.00 H new