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 -156:sc= -2.71! (180deg=-3.44!) USER MOD Set 1.2: A 881 MET CE :methyl -178:sc= -4.95! (180deg=-4.97!) USER MOD Set 2.1: A 845 THR OG1 : rot -116:sc= 0.396 USER MOD Set 2.2: A 892 ASN : amide:sc= 0.356 K(o=0.75,f=0.016) USER MOD Single : A 829 GLN : amide:sc= 0.0157 X(o=0.016,f=-0.059) USER MOD Single : A 830 TYR OH : rot 180:sc= 0 USER MOD Single : A 831 GLN : amide:sc= -0.0106 K(o=-0.011,f=-2!) USER MOD Single : A 841 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 842 MET CE :methyl 151:sc=-9.85e-05 (180deg=-0.0649) USER MOD Single : A 844 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 847 SER OG : rot 180:sc= 0 USER MOD Single : A 848 HIS : no HE2:sc= -2.35 X(o=-2.4,f=-2.2) USER MOD Single : A 849 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 853 SER OG : rot 180:sc= 0 USER MOD Single : A 856 TYR OH : rot 5:sc= -4.36! USER MOD Single : A 857 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 858 GLN : amide:sc= -0.0573 X(o=-0.057,f=-0.036) USER MOD Single : A 860 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 864 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 869 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 870 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 874 SER OG : rot 180:sc= 0 USER MOD Single : A 880 TYR OH : rot 180:sc= 0 USER MOD Single : A 885 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 887 ASN : amide:sc= -3.36! C(o=-3.4!,f=-5.7!) USER MOD Single : A 889 ASN : amide:sc= -0.24 K(o=-0.24,f=-2.2!) USER MOD Single : A 890 GLN : amide:sc= 0 X(o=0,f=0.034) USER MOD Single : A 891 TYR OH : rot 180:sc= 0 USER MOD Single : A 893 TYR OH : rot -116:sc= -0.0341 USER MOD ----------------------------------------------------------------- ATOM 386 N ARG A 828 2.735 6.690 11.532 1.00 0.00 N ATOM 387 CA ARG A 828 3.929 6.825 10.706 1.00 0.00 C ATOM 388 C ARG A 828 4.754 5.542 10.728 1.00 0.00 C ATOM 389 O ARG A 828 4.814 4.816 9.736 1.00 0.00 O ATOM 390 CB ARG A 828 4.781 8.000 11.192 1.00 0.00 C ATOM 391 CG ARG A 828 5.852 8.426 10.201 1.00 0.00 C ATOM 392 CD ARG A 828 5.307 9.413 9.181 1.00 0.00 C ATOM 393 NE ARG A 828 5.405 10.793 9.648 1.00 0.00 N ATOM 394 CZ ARG A 828 4.757 11.807 9.087 1.00 0.00 C ATOM 395 NH1 ARG A 828 3.967 11.596 8.043 1.00 0.00 N ATOM 396 NH2 ARG A 828 4.898 13.035 9.569 1.00 0.00 N ATOM 0 HA ARG A 828 3.611 7.014 9.681 1.00 0.00 H new ATOM 0 HB2 ARG A 828 4.130 8.849 11.398 1.00 0.00 H new ATOM 0 HB3 ARG A 828 5.257 7.728 12.134 1.00 0.00 H new ATOM 0 HG2 ARG A 828 6.686 8.879 10.737 1.00 0.00 H new ATOM 0 HG3 ARG A 828 6.243 7.548 9.687 1.00 0.00 H new ATOM 0 HD2 ARG A 828 5.856 9.307 8.245 1.00 0.00 H new ATOM 0 HD3 ARG A 828 4.265 9.176 8.968 1.00 0.00 H new ATOM 0 HE ARG A 828 6.005 10.989 10.450 1.00 0.00 H new ATOM 0 HH11 ARG A 828 3.856 10.653 7.670 1.00 0.00 H new ATOM 0 HH12 ARG A 828 3.470 12.376 7.614 1.00 0.00 H new ATOM 0 HH21 ARG A 828 5.505 13.201 10.372 1.00 0.00 H new ATOM 0 HH22 ARG A 828 4.399 13.813 9.137 1.00 0.00 H new ATOM 410 N GLN A 829 5.386 5.270 11.864 1.00 0.00 N ATOM 411 CA GLN A 829 6.208 4.075 12.014 1.00 0.00 C ATOM 412 C GLN A 829 5.476 2.842 11.493 1.00 0.00 C ATOM 413 O GLN A 829 6.099 1.895 11.012 1.00 0.00 O ATOM 414 CB GLN A 829 6.590 3.873 13.481 1.00 0.00 C ATOM 415 CG GLN A 829 5.431 3.419 14.355 1.00 0.00 C ATOM 416 CD GLN A 829 5.885 2.600 15.547 1.00 0.00 C ATOM 417 OE1 GLN A 829 6.899 2.906 16.175 1.00 0.00 O ATOM 418 NE2 GLN A 829 5.135 1.552 15.866 1.00 0.00 N ATOM 0 H GLN A 829 5.345 5.861 12.695 1.00 0.00 H new ATOM 0 HA GLN A 829 7.115 4.213 11.426 1.00 0.00 H new ATOM 0 HB2 GLN A 829 7.390 3.135 13.541 1.00 0.00 H new ATOM 0 HB3 GLN A 829 6.988 4.808 13.876 1.00 0.00 H new ATOM 0 HG2 GLN A 829 4.882 4.293 14.707 1.00 0.00 H new ATOM 0 HG3 GLN A 829 4.739 2.828 13.755 1.00 0.00 H new ATOM 0 HE21 GLN A 829 4.303 1.335 15.318 1.00 0.00 H new ATOM 0 HE22 GLN A 829 5.391 0.964 16.659 1.00 0.00 H new ATOM 427 N TYR A 830 4.151 2.861 11.592 1.00 0.00 N ATOM 428 CA TYR A 830 3.335 1.744 11.133 1.00 0.00 C ATOM 429 C TYR A 830 3.228 1.736 9.611 1.00 0.00 C ATOM 430 O TYR A 830 3.187 0.676 8.987 1.00 0.00 O ATOM 431 CB TYR A 830 1.938 1.817 11.753 1.00 0.00 C ATOM 432 CG TYR A 830 1.879 1.307 13.175 1.00 0.00 C ATOM 433 CD1 TYR A 830 1.996 -0.049 13.453 1.00 0.00 C ATOM 434 CD2 TYR A 830 1.706 2.181 14.241 1.00 0.00 C ATOM 435 CE1 TYR A 830 1.943 -0.520 14.751 1.00 0.00 C ATOM 436 CE2 TYR A 830 1.653 1.719 15.542 1.00 0.00 C ATOM 437 CZ TYR A 830 1.771 0.368 15.792 1.00 0.00 C ATOM 438 OH TYR A 830 1.717 -0.096 17.086 1.00 0.00 O ATOM 0 H TYR A 830 3.620 3.638 11.986 1.00 0.00 H new ATOM 0 HA TYR A 830 3.819 0.820 11.450 1.00 0.00 H new ATOM 0 HB2 TYR A 830 1.594 2.851 11.732 1.00 0.00 H new ATOM 0 HB3 TYR A 830 1.247 1.239 11.140 1.00 0.00 H new ATOM 0 HD1 TYR A 830 2.131 -0.747 12.640 1.00 0.00 H new ATOM 0 HD2 TYR A 830 1.611 3.240 14.049 1.00 0.00 H new ATOM 0 HE1 TYR A 830 2.036 -1.578 14.949 1.00 0.00 H new ATOM 0 HE2 TYR A 830 1.520 2.412 16.359 1.00 0.00 H new ATOM 0 HH TYR A 830 1.593 0.658 17.699 1.00 0.00 H new ATOM 448 N GLN A 831 3.184 2.926 9.022 1.00 0.00 N ATOM 449 CA GLN A 831 3.082 3.057 7.573 1.00 0.00 C ATOM 450 C GLN A 831 4.326 2.502 6.887 1.00 0.00 C ATOM 451 O GLN A 831 4.230 1.784 5.892 1.00 0.00 O ATOM 452 CB GLN A 831 2.882 4.523 7.185 1.00 0.00 C ATOM 453 CG GLN A 831 1.463 5.022 7.405 1.00 0.00 C ATOM 454 CD GLN A 831 0.540 4.684 6.251 1.00 0.00 C ATOM 455 OE1 GLN A 831 0.707 3.662 5.586 1.00 0.00 O ATOM 456 NE2 GLN A 831 -0.442 5.544 6.007 1.00 0.00 N ATOM 0 H GLN A 831 3.217 3.813 9.525 1.00 0.00 H new ATOM 0 HA GLN A 831 2.219 2.480 7.241 1.00 0.00 H new ATOM 0 HB2 GLN A 831 3.569 5.140 7.764 1.00 0.00 H new ATOM 0 HB3 GLN A 831 3.145 4.652 6.135 1.00 0.00 H new ATOM 0 HG2 GLN A 831 1.067 4.586 8.322 1.00 0.00 H new ATOM 0 HG3 GLN A 831 1.480 6.103 7.547 1.00 0.00 H new ATOM 0 HE21 GLN A 831 -0.544 6.379 6.584 1.00 0.00 H new ATOM 0 HE22 GLN A 831 -1.095 5.369 5.243 1.00 0.00 H new ATOM 465 N ILE A 832 5.493 2.841 7.426 1.00 0.00 N ATOM 466 CA ILE A 832 6.756 2.376 6.866 1.00 0.00 C ATOM 467 C ILE A 832 6.950 0.884 7.112 1.00 0.00 C ATOM 468 O ILE A 832 7.136 0.109 6.174 1.00 0.00 O ATOM 469 CB ILE A 832 7.952 3.143 7.461 1.00 0.00 C ATOM 470 CG1 ILE A 832 7.844 4.634 7.132 1.00 0.00 C ATOM 471 CG2 ILE A 832 9.261 2.572 6.936 1.00 0.00 C ATOM 472 CD1 ILE A 832 6.871 5.379 8.019 1.00 0.00 C ATOM 0 H ILE A 832 5.590 3.436 8.249 1.00 0.00 H new ATOM 0 HA ILE A 832 6.713 2.562 5.793 1.00 0.00 H new ATOM 0 HB ILE A 832 7.937 3.027 8.545 1.00 0.00 H new ATOM 0 HG12 ILE A 832 8.830 5.090 7.224 1.00 0.00 H new ATOM 0 HG13 ILE A 832 7.536 4.747 6.093 1.00 0.00 H new ATOM 0 HG21 ILE A 832 10.097 3.124 7.365 1.00 0.00 H new ATOM 0 HG22 ILE A 832 9.338 1.521 7.216 1.00 0.00 H new ATOM 0 HG23 ILE A 832 9.287 2.661 5.850 1.00 0.00 H new ATOM 0 HD11 ILE A 832 6.846 6.429 7.729 1.00 0.00 H new ATOM 0 HD12 ILE A 832 5.876 4.948 7.910 1.00 0.00 H new ATOM 0 HD13 ILE A 832 7.190 5.297 9.058 1.00 0.00 H new ATOM 484 N ASP A 833 6.904 0.488 8.379 1.00 0.00 N ATOM 485 CA ASP A 833 7.072 -0.912 8.750 1.00 0.00 C ATOM 486 C ASP A 833 6.106 -1.800 7.971 1.00 0.00 C ATOM 487 O ASP A 833 6.458 -2.904 7.557 1.00 0.00 O ATOM 488 CB ASP A 833 6.852 -1.095 10.252 1.00 0.00 C ATOM 489 CG ASP A 833 8.082 -0.739 11.064 1.00 0.00 C ATOM 490 OD1 ASP A 833 9.166 -1.283 10.767 1.00 0.00 O ATOM 491 OD2 ASP A 833 7.961 0.083 11.997 1.00 0.00 O ATOM 0 H ASP A 833 6.752 1.117 9.167 1.00 0.00 H new ATOM 0 HA ASP A 833 8.091 -1.207 8.502 1.00 0.00 H new ATOM 0 HB2 ASP A 833 6.016 -0.473 10.572 1.00 0.00 H new ATOM 0 HB3 ASP A 833 6.575 -2.130 10.452 1.00 0.00 H new ATOM 496 N ALA A 834 4.887 -1.310 7.775 1.00 0.00 N ATOM 497 CA ALA A 834 3.870 -2.058 7.045 1.00 0.00 C ATOM 498 C ALA A 834 4.247 -2.205 5.575 1.00 0.00 C ATOM 499 O ALA A 834 4.295 -3.314 5.045 1.00 0.00 O ATOM 500 CB ALA A 834 2.516 -1.378 7.180 1.00 0.00 C ATOM 0 H ALA A 834 4.579 -0.398 8.112 1.00 0.00 H new ATOM 0 HA ALA A 834 3.807 -3.056 7.478 1.00 0.00 H new ATOM 0 HB1 ALA A 834 1.767 -1.947 6.630 1.00 0.00 H new ATOM 0 HB2 ALA A 834 2.236 -1.331 8.232 1.00 0.00 H new ATOM 0 HB3 ALA A 834 2.574 -0.368 6.774 1.00 0.00 H new ATOM 506 N ALA A 835 4.512 -1.078 4.922 1.00 0.00 N ATOM 507 CA ALA A 835 4.886 -1.082 3.513 1.00 0.00 C ATOM 508 C ALA A 835 6.018 -2.068 3.248 1.00 0.00 C ATOM 509 O ALA A 835 5.971 -2.839 2.289 1.00 0.00 O ATOM 510 CB ALA A 835 5.287 0.317 3.069 1.00 0.00 C ATOM 0 H ALA A 835 4.475 -0.151 5.346 1.00 0.00 H new ATOM 0 HA ALA A 835 4.019 -1.400 2.934 1.00 0.00 H new ATOM 0 HB1 ALA A 835 5.564 0.299 2.015 1.00 0.00 H new ATOM 0 HB2 ALA A 835 4.449 0.999 3.212 1.00 0.00 H new ATOM 0 HB3 ALA A 835 6.136 0.657 3.661 1.00 0.00 H new ATOM 516 N ILE A 836 7.036 -2.037 4.102 1.00 0.00 N ATOM 517 CA ILE A 836 8.180 -2.929 3.959 1.00 0.00 C ATOM 518 C ILE A 836 7.754 -4.390 4.063 1.00 0.00 C ATOM 519 O ILE A 836 7.900 -5.159 3.112 1.00 0.00 O ATOM 520 CB ILE A 836 9.253 -2.642 5.026 1.00 0.00 C ATOM 521 CG1 ILE A 836 9.695 -1.179 4.956 1.00 0.00 C ATOM 522 CG2 ILE A 836 10.445 -3.570 4.841 1.00 0.00 C ATOM 523 CD1 ILE A 836 10.525 -0.741 6.142 1.00 0.00 C ATOM 0 H ILE A 836 7.092 -1.404 4.900 1.00 0.00 H new ATOM 0 HA ILE A 836 8.603 -2.746 2.971 1.00 0.00 H new ATOM 0 HB ILE A 836 8.823 -2.825 6.011 1.00 0.00 H new ATOM 0 HG12 ILE A 836 10.271 -1.025 4.043 1.00 0.00 H new ATOM 0 HG13 ILE A 836 8.812 -0.544 4.887 1.00 0.00 H new ATOM 0 HG21 ILE A 836 11.195 -3.355 5.602 1.00 0.00 H new ATOM 0 HG22 ILE A 836 10.118 -4.606 4.936 1.00 0.00 H new ATOM 0 HG23 ILE A 836 10.877 -3.415 3.852 1.00 0.00 H new ATOM 0 HD11 ILE A 836 10.803 0.306 6.025 1.00 0.00 H new ATOM 0 HD12 ILE A 836 9.945 -0.862 7.057 1.00 0.00 H new ATOM 0 HD13 ILE A 836 11.426 -1.351 6.200 1.00 0.00 H new ATOM 535 N VAL A 837 7.225 -4.766 5.223 1.00 0.00 N ATOM 536 CA VAL A 837 6.775 -6.134 5.450 1.00 0.00 C ATOM 537 C VAL A 837 5.989 -6.659 4.254 1.00 0.00 C ATOM 538 O VAL A 837 6.132 -7.819 3.865 1.00 0.00 O ATOM 539 CB VAL A 837 5.898 -6.234 6.711 1.00 0.00 C ATOM 540 CG1 VAL A 837 5.389 -7.655 6.897 1.00 0.00 C ATOM 541 CG2 VAL A 837 6.672 -5.772 7.937 1.00 0.00 C ATOM 0 H VAL A 837 7.098 -4.142 6.020 1.00 0.00 H new ATOM 0 HA VAL A 837 7.669 -6.743 5.589 1.00 0.00 H new ATOM 0 HB VAL A 837 5.036 -5.578 6.585 1.00 0.00 H new ATOM 0 HG11 VAL A 837 4.771 -7.706 7.793 1.00 0.00 H new ATOM 0 HG12 VAL A 837 4.795 -7.945 6.030 1.00 0.00 H new ATOM 0 HG13 VAL A 837 6.235 -8.334 7.001 1.00 0.00 H new ATOM 0 HG21 VAL A 837 6.036 -5.850 8.819 1.00 0.00 H new ATOM 0 HG22 VAL A 837 7.553 -6.400 8.069 1.00 0.00 H new ATOM 0 HG23 VAL A 837 6.981 -4.735 7.803 1.00 0.00 H new ATOM 551 N ARG A 838 5.159 -5.799 3.674 1.00 0.00 N ATOM 552 CA ARG A 838 4.349 -6.177 2.523 1.00 0.00 C ATOM 553 C ARG A 838 5.222 -6.388 1.289 1.00 0.00 C ATOM 554 O ARG A 838 5.162 -7.436 0.646 1.00 0.00 O ATOM 555 CB ARG A 838 3.297 -5.103 2.238 1.00 0.00 C ATOM 556 CG ARG A 838 2.180 -5.056 3.268 1.00 0.00 C ATOM 557 CD ARG A 838 0.963 -4.315 2.737 1.00 0.00 C ATOM 558 NE ARG A 838 -0.216 -4.531 3.571 1.00 0.00 N ATOM 559 CZ ARG A 838 -1.428 -4.084 3.260 1.00 0.00 C ATOM 560 NH1 ARG A 838 -1.619 -3.401 2.140 1.00 0.00 N ATOM 561 NH2 ARG A 838 -2.452 -4.321 4.070 1.00 0.00 N ATOM 0 H ARG A 838 5.030 -4.835 3.982 1.00 0.00 H new ATOM 0 HA ARG A 838 3.847 -7.116 2.757 1.00 0.00 H new ATOM 0 HB2 ARG A 838 3.785 -4.129 2.199 1.00 0.00 H new ATOM 0 HB3 ARG A 838 2.865 -5.282 1.254 1.00 0.00 H new ATOM 0 HG2 ARG A 838 1.897 -6.071 3.545 1.00 0.00 H new ATOM 0 HG3 ARG A 838 2.539 -4.567 4.173 1.00 0.00 H new ATOM 0 HD2 ARG A 838 1.181 -3.248 2.687 1.00 0.00 H new ATOM 0 HD3 ARG A 838 0.753 -4.645 1.720 1.00 0.00 H new ATOM 0 HE ARG A 838 -0.103 -5.054 4.440 1.00 0.00 H new ATOM 0 HH11 ARG A 838 -0.834 -3.217 1.514 1.00 0.00 H new ATOM 0 HH12 ARG A 838 -2.550 -3.059 1.904 1.00 0.00 H new ATOM 0 HH21 ARG A 838 -2.309 -4.847 4.932 1.00 0.00 H new ATOM 0 HH22 ARG A 838 -3.382 -3.977 3.830 1.00 0.00 H new ATOM 575 N ILE A 839 6.032 -5.385 0.965 1.00 0.00 N ATOM 576 CA ILE A 839 6.917 -5.462 -0.190 1.00 0.00 C ATOM 577 C ILE A 839 7.812 -6.694 -0.116 1.00 0.00 C ATOM 578 O ILE A 839 7.872 -7.487 -1.055 1.00 0.00 O ATOM 579 CB ILE A 839 7.801 -4.206 -0.306 1.00 0.00 C ATOM 580 CG1 ILE A 839 6.933 -2.959 -0.486 1.00 0.00 C ATOM 581 CG2 ILE A 839 8.778 -4.351 -1.463 1.00 0.00 C ATOM 582 CD1 ILE A 839 7.609 -1.682 -0.041 1.00 0.00 C ATOM 0 H ILE A 839 6.093 -4.510 1.486 1.00 0.00 H new ATOM 0 HA ILE A 839 6.280 -5.531 -1.072 1.00 0.00 H new ATOM 0 HB ILE A 839 8.373 -4.096 0.615 1.00 0.00 H new ATOM 0 HG12 ILE A 839 6.657 -2.867 -1.536 1.00 0.00 H new ATOM 0 HG13 ILE A 839 6.008 -3.086 0.077 1.00 0.00 H new ATOM 0 HG21 ILE A 839 9.396 -3.456 -1.532 1.00 0.00 H new ATOM 0 HG22 ILE A 839 9.415 -5.219 -1.295 1.00 0.00 H new ATOM 0 HG23 ILE A 839 8.224 -4.482 -2.393 1.00 0.00 H new ATOM 0 HD11 ILE A 839 6.935 -0.840 -0.198 1.00 0.00 H new ATOM 0 HD12 ILE A 839 7.861 -1.753 1.017 1.00 0.00 H new ATOM 0 HD13 ILE A 839 8.519 -1.531 -0.621 1.00 0.00 H new ATOM 594 N MET A 840 8.504 -6.850 1.008 1.00 0.00 N ATOM 595 CA MET A 840 9.394 -7.988 1.205 1.00 0.00 C ATOM 596 C MET A 840 8.629 -9.303 1.087 1.00 0.00 C ATOM 597 O MET A 840 9.039 -10.209 0.361 1.00 0.00 O ATOM 598 CB MET A 840 10.073 -7.901 2.574 1.00 0.00 C ATOM 599 CG MET A 840 10.743 -6.562 2.835 1.00 0.00 C ATOM 600 SD MET A 840 12.419 -6.484 2.176 1.00 0.00 S ATOM 601 CE MET A 840 13.362 -6.234 3.678 1.00 0.00 C ATOM 0 H MET A 840 8.465 -6.203 1.796 1.00 0.00 H new ATOM 0 HA MET A 840 10.157 -7.960 0.427 1.00 0.00 H new ATOM 0 HB2 MET A 840 9.331 -8.084 3.351 1.00 0.00 H new ATOM 0 HB3 MET A 840 10.818 -8.692 2.652 1.00 0.00 H new ATOM 0 HG2 MET A 840 10.144 -5.768 2.389 1.00 0.00 H new ATOM 0 HG3 MET A 840 10.770 -6.377 3.909 1.00 0.00 H new ATOM 0 HE1 MET A 840 14.310 -5.753 3.437 1.00 0.00 H new ATOM 0 HE2 MET A 840 12.797 -5.600 4.361 1.00 0.00 H new ATOM 0 HE3 MET A 840 13.554 -7.197 4.152 1.00 0.00 H new ATOM 611 N LYS A 841 7.515 -9.401 1.805 1.00 0.00 N ATOM 612 CA LYS A 841 6.692 -10.604 1.780 1.00 0.00 C ATOM 613 C LYS A 841 6.430 -11.055 0.347 1.00 0.00 C ATOM 614 O LYS A 841 6.752 -12.182 -0.027 1.00 0.00 O ATOM 615 CB LYS A 841 5.363 -10.352 2.497 1.00 0.00 C ATOM 616 CG LYS A 841 4.379 -11.503 2.377 1.00 0.00 C ATOM 617 CD LYS A 841 3.246 -11.375 3.380 1.00 0.00 C ATOM 618 CE LYS A 841 2.102 -10.538 2.826 1.00 0.00 C ATOM 619 NZ LYS A 841 0.984 -10.413 3.802 1.00 0.00 N ATOM 0 H LYS A 841 7.162 -8.661 2.412 1.00 0.00 H new ATOM 0 HA LYS A 841 7.234 -11.395 2.298 1.00 0.00 H new ATOM 0 HB2 LYS A 841 5.559 -10.162 3.552 1.00 0.00 H new ATOM 0 HB3 LYS A 841 4.906 -9.450 2.090 1.00 0.00 H new ATOM 0 HG2 LYS A 841 3.970 -11.530 1.367 1.00 0.00 H new ATOM 0 HG3 LYS A 841 4.901 -12.447 2.535 1.00 0.00 H new ATOM 0 HD2 LYS A 841 2.878 -12.367 3.643 1.00 0.00 H new ATOM 0 HD3 LYS A 841 3.620 -10.920 4.297 1.00 0.00 H new ATOM 0 HE2 LYS A 841 2.470 -9.546 2.567 1.00 0.00 H new ATOM 0 HE3 LYS A 841 1.732 -10.991 1.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 0.224 -9.836 3.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 0.615 -11.358 4.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 1.330 -9.957 4.670 1.00 0.00 H new ATOM 633 N MET A 842 5.846 -10.167 -0.451 1.00 0.00 N ATOM 634 CA MET A 842 5.545 -10.474 -1.844 1.00 0.00 C ATOM 635 C MET A 842 6.794 -10.952 -2.578 1.00 0.00 C ATOM 636 O MET A 842 6.766 -11.968 -3.273 1.00 0.00 O ATOM 637 CB MET A 842 4.966 -9.244 -2.546 1.00 0.00 C ATOM 638 CG MET A 842 3.527 -8.945 -2.159 1.00 0.00 C ATOM 639 SD MET A 842 2.394 -10.272 -2.613 1.00 0.00 S ATOM 640 CE MET A 842 1.317 -10.303 -1.183 1.00 0.00 C ATOM 0 H MET A 842 5.572 -9.230 -0.157 1.00 0.00 H new ATOM 0 HA MET A 842 4.806 -11.275 -1.862 1.00 0.00 H new ATOM 0 HB2 MET A 842 5.584 -8.377 -2.312 1.00 0.00 H new ATOM 0 HB3 MET A 842 5.020 -9.392 -3.625 1.00 0.00 H new ATOM 0 HG2 MET A 842 3.472 -8.778 -1.083 1.00 0.00 H new ATOM 0 HG3 MET A 842 3.210 -8.021 -2.642 1.00 0.00 H new ATOM 0 HE1 MET A 842 0.327 -10.648 -1.481 1.00 0.00 H new ATOM 0 HE2 MET A 842 1.727 -10.979 -0.433 1.00 0.00 H new ATOM 0 HE3 MET A 842 1.240 -9.300 -0.763 1.00 0.00 H new ATOM 650 N ARG A 843 7.887 -10.213 -2.420 1.00 0.00 N ATOM 651 CA ARG A 843 9.145 -10.561 -3.069 1.00 0.00 C ATOM 652 C ARG A 843 9.987 -11.464 -2.173 1.00 0.00 C ATOM 653 O ARG A 843 10.667 -10.993 -1.261 1.00 0.00 O ATOM 654 CB ARG A 843 9.930 -9.296 -3.419 1.00 0.00 C ATOM 655 CG ARG A 843 9.088 -8.221 -4.087 1.00 0.00 C ATOM 656 CD ARG A 843 8.973 -8.455 -5.585 1.00 0.00 C ATOM 657 NE ARG A 843 10.282 -8.525 -6.230 1.00 0.00 N ATOM 658 CZ ARG A 843 10.450 -8.582 -7.546 1.00 0.00 C ATOM 659 NH1 ARG A 843 9.398 -8.578 -8.353 1.00 0.00 N ATOM 660 NH2 ARG A 843 11.673 -8.644 -8.058 1.00 0.00 N ATOM 0 H ARG A 843 7.927 -9.369 -1.848 1.00 0.00 H new ATOM 0 HA ARG A 843 8.914 -11.102 -3.987 1.00 0.00 H new ATOM 0 HB2 ARG A 843 10.369 -8.888 -2.509 1.00 0.00 H new ATOM 0 HB3 ARG A 843 10.755 -9.562 -4.080 1.00 0.00 H new ATOM 0 HG2 ARG A 843 8.093 -8.208 -3.642 1.00 0.00 H new ATOM 0 HG3 ARG A 843 9.532 -7.243 -3.903 1.00 0.00 H new ATOM 0 HD2 ARG A 843 8.429 -9.382 -5.766 1.00 0.00 H new ATOM 0 HD3 ARG A 843 8.390 -7.651 -6.034 1.00 0.00 H new ATOM 0 HE ARG A 843 11.112 -8.530 -5.637 1.00 0.00 H new ATOM 0 HH11 ARG A 843 8.457 -8.531 -7.963 1.00 0.00 H new ATOM 0 HH12 ARG A 843 9.530 -8.622 -9.363 1.00 0.00 H new ATOM 0 HH21 ARG A 843 12.485 -8.648 -7.440 1.00 0.00 H new ATOM 0 HH22 ARG A 843 11.801 -8.688 -9.069 1.00 0.00 H new ATOM 674 N LYS A 844 9.937 -12.765 -2.438 1.00 0.00 N ATOM 675 CA LYS A 844 10.696 -13.735 -1.658 1.00 0.00 C ATOM 676 C LYS A 844 12.030 -13.149 -1.208 1.00 0.00 C ATOM 677 O LYS A 844 12.440 -13.319 -0.060 1.00 0.00 O ATOM 678 CB LYS A 844 10.935 -15.005 -2.477 1.00 0.00 C ATOM 679 CG LYS A 844 9.661 -15.762 -2.812 1.00 0.00 C ATOM 680 CD LYS A 844 9.059 -16.413 -1.579 1.00 0.00 C ATOM 681 CE LYS A 844 7.624 -16.854 -1.826 1.00 0.00 C ATOM 682 NZ LYS A 844 7.557 -18.067 -2.686 1.00 0.00 N ATOM 0 H LYS A 844 9.378 -13.172 -3.188 1.00 0.00 H new ATOM 0 HA LYS A 844 10.113 -13.986 -0.772 1.00 0.00 H new ATOM 0 HB2 LYS A 844 11.444 -14.739 -3.404 1.00 0.00 H new ATOM 0 HB3 LYS A 844 11.604 -15.664 -1.923 1.00 0.00 H new ATOM 0 HG2 LYS A 844 8.936 -15.079 -3.254 1.00 0.00 H new ATOM 0 HG3 LYS A 844 9.876 -16.526 -3.559 1.00 0.00 H new ATOM 0 HD2 LYS A 844 9.661 -17.275 -1.291 1.00 0.00 H new ATOM 0 HD3 LYS A 844 9.087 -15.711 -0.745 1.00 0.00 H new ATOM 0 HE2 LYS A 844 7.137 -17.058 -0.872 1.00 0.00 H new ATOM 0 HE3 LYS A 844 7.071 -16.042 -2.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 844 6.563 -18.335 -2.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 844 7.999 -17.865 -3.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 844 8.063 -18.849 -2.223 1.00 0.00 H new ATOM 696 N THR A 845 12.704 -12.456 -2.121 1.00 0.00 N ATOM 697 CA THR A 845 13.992 -11.843 -1.819 1.00 0.00 C ATOM 698 C THR A 845 14.123 -10.480 -2.488 1.00 0.00 C ATOM 699 O THR A 845 13.771 -10.314 -3.657 1.00 0.00 O ATOM 700 CB THR A 845 15.160 -12.740 -2.272 1.00 0.00 C ATOM 701 OG1 THR A 845 15.050 -14.032 -1.665 1.00 0.00 O ATOM 702 CG2 THR A 845 16.497 -12.113 -1.904 1.00 0.00 C ATOM 0 H THR A 845 12.379 -12.305 -3.076 1.00 0.00 H new ATOM 0 HA THR A 845 14.037 -11.718 -0.737 1.00 0.00 H new ATOM 0 HB THR A 845 15.111 -12.844 -3.356 1.00 0.00 H new ATOM 0 HG1 THR A 845 15.814 -14.180 -1.069 1.00 0.00 H new ATOM 0 HG21 THR A 845 17.307 -12.764 -2.233 1.00 0.00 H new ATOM 0 HG22 THR A 845 16.590 -11.142 -2.391 1.00 0.00 H new ATOM 0 HG23 THR A 845 16.553 -11.983 -0.823 1.00 0.00 H new ATOM 710 N LEU A 846 14.632 -9.506 -1.741 1.00 0.00 N ATOM 711 CA LEU A 846 14.811 -8.156 -2.263 1.00 0.00 C ATOM 712 C LEU A 846 16.016 -7.478 -1.618 1.00 0.00 C ATOM 713 O LEU A 846 16.521 -7.934 -0.592 1.00 0.00 O ATOM 714 CB LEU A 846 13.551 -7.322 -2.018 1.00 0.00 C ATOM 715 CG LEU A 846 13.265 -6.223 -3.041 1.00 0.00 C ATOM 716 CD1 LEU A 846 12.826 -6.828 -4.366 1.00 0.00 C ATOM 717 CD2 LEU A 846 12.206 -5.266 -2.513 1.00 0.00 C ATOM 0 H LEU A 846 14.928 -9.626 -0.772 1.00 0.00 H new ATOM 0 HA LEU A 846 14.989 -8.229 -3.336 1.00 0.00 H new ATOM 0 HB2 LEU A 846 12.694 -7.995 -1.988 1.00 0.00 H new ATOM 0 HB3 LEU A 846 13.630 -6.862 -1.033 1.00 0.00 H new ATOM 0 HG LEU A 846 14.184 -5.661 -3.208 1.00 0.00 H new ATOM 0 HD11 LEU A 846 12.627 -6.031 -5.082 1.00 0.00 H new ATOM 0 HD12 LEU A 846 13.616 -7.472 -4.751 1.00 0.00 H new ATOM 0 HD13 LEU A 846 11.920 -7.415 -4.216 1.00 0.00 H new ATOM 0 HD21 LEU A 846 12.015 -4.490 -3.254 1.00 0.00 H new ATOM 0 HD22 LEU A 846 11.285 -5.815 -2.317 1.00 0.00 H new ATOM 0 HD23 LEU A 846 12.559 -4.807 -1.590 1.00 0.00 H new ATOM 729 N SER A 847 16.470 -6.387 -2.226 1.00 0.00 N ATOM 730 CA SER A 847 17.616 -5.647 -1.712 1.00 0.00 C ATOM 731 C SER A 847 17.181 -4.305 -1.131 1.00 0.00 C ATOM 732 O SER A 847 16.000 -3.958 -1.157 1.00 0.00 O ATOM 733 CB SER A 847 18.645 -5.424 -2.823 1.00 0.00 C ATOM 734 OG SER A 847 19.329 -6.626 -3.133 1.00 0.00 O ATOM 0 H SER A 847 16.062 -5.996 -3.075 1.00 0.00 H new ATOM 0 HA SER A 847 18.071 -6.237 -0.917 1.00 0.00 H new ATOM 0 HB2 SER A 847 18.146 -5.046 -3.715 1.00 0.00 H new ATOM 0 HB3 SER A 847 19.362 -4.664 -2.512 1.00 0.00 H new ATOM 0 HG SER A 847 19.979 -6.458 -3.846 1.00 0.00 H new ATOM 740 N HIS A 848 18.144 -3.555 -0.605 1.00 0.00 N ATOM 741 CA HIS A 848 17.862 -2.250 -0.017 1.00 0.00 C ATOM 742 C HIS A 848 17.331 -1.283 -1.070 1.00 0.00 C ATOM 743 O HIS A 848 16.277 -0.674 -0.892 1.00 0.00 O ATOM 744 CB HIS A 848 19.122 -1.676 0.632 1.00 0.00 C ATOM 745 CG HIS A 848 18.916 -0.327 1.248 1.00 0.00 C ATOM 746 ND1 HIS A 848 19.186 -0.056 2.573 1.00 0.00 N ATOM 747 CD2 HIS A 848 18.466 0.832 0.713 1.00 0.00 C ATOM 748 CE1 HIS A 848 18.909 1.210 2.827 1.00 0.00 C ATOM 749 NE2 HIS A 848 18.471 1.772 1.715 1.00 0.00 N ATOM 0 H HIS A 848 19.126 -3.828 -0.574 1.00 0.00 H new ATOM 0 HA HIS A 848 17.097 -2.381 0.748 1.00 0.00 H new ATOM 0 HB2 HIS A 848 19.473 -2.367 1.399 1.00 0.00 H new ATOM 0 HB3 HIS A 848 19.909 -1.607 -0.119 1.00 0.00 H new ATOM 0 HD1 HIS A 848 19.544 -0.729 3.251 1.00 0.00 H new ATOM 0 HD2 HIS A 848 18.160 0.989 -0.311 1.00 0.00 H new ATOM 0 HE1 HIS A 848 19.022 1.702 3.782 1.00 0.00 H new ATOM 757 N ASN A 849 18.070 -1.145 -2.166 1.00 0.00 N ATOM 758 CA ASN A 849 17.674 -0.250 -3.248 1.00 0.00 C ATOM 759 C ASN A 849 16.178 -0.364 -3.528 1.00 0.00 C ATOM 760 O ASN A 849 15.429 0.599 -3.359 1.00 0.00 O ATOM 761 CB ASN A 849 18.468 -0.568 -4.517 1.00 0.00 C ATOM 762 CG ASN A 849 17.970 0.211 -5.719 1.00 0.00 C ATOM 763 OD1 ASN A 849 17.520 -0.371 -6.706 1.00 0.00 O ATOM 764 ND2 ASN A 849 18.051 1.534 -5.642 1.00 0.00 N ATOM 0 H ASN A 849 18.946 -1.641 -2.329 1.00 0.00 H new ATOM 0 HA ASN A 849 17.891 0.772 -2.939 1.00 0.00 H new ATOM 0 HB2 ASN A 849 19.521 -0.341 -4.350 1.00 0.00 H new ATOM 0 HB3 ASN A 849 18.402 -1.636 -4.726 1.00 0.00 H new ATOM 0 HD21 ASN A 849 17.733 2.111 -6.421 1.00 0.00 H new ATOM 0 HD22 ASN A 849 18.431 1.974 -4.804 1.00 0.00 H new ATOM 771 N LEU A 850 15.751 -1.546 -3.956 1.00 0.00 N ATOM 772 CA LEU A 850 14.344 -1.787 -4.260 1.00 0.00 C ATOM 773 C LEU A 850 13.486 -1.652 -3.006 1.00 0.00 C ATOM 774 O LEU A 850 12.450 -0.986 -3.019 1.00 0.00 O ATOM 775 CB LEU A 850 14.164 -3.180 -4.867 1.00 0.00 C ATOM 776 CG LEU A 850 14.270 -3.267 -6.390 1.00 0.00 C ATOM 777 CD1 LEU A 850 14.066 -4.699 -6.858 1.00 0.00 C ATOM 778 CD2 LEU A 850 13.259 -2.340 -7.048 1.00 0.00 C ATOM 0 H LEU A 850 16.358 -2.353 -4.101 1.00 0.00 H new ATOM 0 HA LEU A 850 14.020 -1.038 -4.983 1.00 0.00 H new ATOM 0 HB2 LEU A 850 14.912 -3.843 -4.432 1.00 0.00 H new ATOM 0 HB3 LEU A 850 13.187 -3.561 -4.568 1.00 0.00 H new ATOM 0 HG LEU A 850 15.270 -2.949 -6.685 1.00 0.00 H new ATOM 0 HD11 LEU A 850 14.145 -4.741 -7.944 1.00 0.00 H new ATOM 0 HD12 LEU A 850 14.828 -5.339 -6.414 1.00 0.00 H new ATOM 0 HD13 LEU A 850 13.079 -5.045 -6.552 1.00 0.00 H new ATOM 0 HD21 LEU A 850 13.348 -2.415 -8.132 1.00 0.00 H new ATOM 0 HD22 LEU A 850 12.252 -2.627 -6.746 1.00 0.00 H new ATOM 0 HD23 LEU A 850 13.451 -1.313 -6.738 1.00 0.00 H new ATOM 790 N LEU A 851 13.924 -2.286 -1.924 1.00 0.00 N ATOM 791 CA LEU A 851 13.197 -2.234 -0.660 1.00 0.00 C ATOM 792 C LEU A 851 12.670 -0.828 -0.392 1.00 0.00 C ATOM 793 O LEU A 851 11.460 -0.599 -0.386 1.00 0.00 O ATOM 794 CB LEU A 851 14.102 -2.679 0.490 1.00 0.00 C ATOM 795 CG LEU A 851 13.627 -2.317 1.897 1.00 0.00 C ATOM 796 CD1 LEU A 851 12.212 -2.824 2.130 1.00 0.00 C ATOM 797 CD2 LEU A 851 14.577 -2.881 2.943 1.00 0.00 C ATOM 0 H LEU A 851 14.779 -2.842 -1.896 1.00 0.00 H new ATOM 0 HA LEU A 851 12.347 -2.913 -0.730 1.00 0.00 H new ATOM 0 HB2 LEU A 851 14.220 -3.761 0.435 1.00 0.00 H new ATOM 0 HB3 LEU A 851 15.089 -2.243 0.338 1.00 0.00 H new ATOM 0 HG LEU A 851 13.621 -1.231 1.989 1.00 0.00 H new ATOM 0 HD11 LEU A 851 11.891 -2.557 3.137 1.00 0.00 H new ATOM 0 HD12 LEU A 851 11.539 -2.371 1.402 1.00 0.00 H new ATOM 0 HD13 LEU A 851 12.191 -3.908 2.018 1.00 0.00 H new ATOM 0 HD21 LEU A 851 14.223 -2.613 3.938 1.00 0.00 H new ATOM 0 HD22 LEU A 851 14.616 -3.966 2.852 1.00 0.00 H new ATOM 0 HD23 LEU A 851 15.574 -2.468 2.789 1.00 0.00 H new ATOM 809 N VAL A 852 13.585 0.110 -0.173 1.00 0.00 N ATOM 810 CA VAL A 852 13.213 1.494 0.092 1.00 0.00 C ATOM 811 C VAL A 852 12.428 2.085 -1.075 1.00 0.00 C ATOM 812 O VAL A 852 11.526 2.899 -0.880 1.00 0.00 O ATOM 813 CB VAL A 852 14.453 2.368 0.357 1.00 0.00 C ATOM 814 CG1 VAL A 852 15.242 1.830 1.540 1.00 0.00 C ATOM 815 CG2 VAL A 852 15.326 2.446 -0.886 1.00 0.00 C ATOM 0 H VAL A 852 14.590 -0.064 -0.174 1.00 0.00 H new ATOM 0 HA VAL A 852 12.585 1.488 0.983 1.00 0.00 H new ATOM 0 HB VAL A 852 14.119 3.376 0.602 1.00 0.00 H new ATOM 0 HG11 VAL A 852 16.114 2.460 1.712 1.00 0.00 H new ATOM 0 HG12 VAL A 852 14.611 1.832 2.429 1.00 0.00 H new ATOM 0 HG13 VAL A 852 15.566 0.811 1.328 1.00 0.00 H new ATOM 0 HG21 VAL A 852 16.197 3.068 -0.680 1.00 0.00 H new ATOM 0 HG22 VAL A 852 15.653 1.444 -1.165 1.00 0.00 H new ATOM 0 HG23 VAL A 852 14.754 2.882 -1.705 1.00 0.00 H new ATOM 825 N SER A 853 12.779 1.670 -2.287 1.00 0.00 N ATOM 826 CA SER A 853 12.110 2.160 -3.487 1.00 0.00 C ATOM 827 C SER A 853 10.605 1.920 -3.406 1.00 0.00 C ATOM 828 O SER A 853 9.811 2.856 -3.500 1.00 0.00 O ATOM 829 CB SER A 853 12.680 1.476 -4.730 1.00 0.00 C ATOM 830 OG SER A 853 12.289 2.156 -5.911 1.00 0.00 O ATOM 0 H SER A 853 13.523 0.995 -2.465 1.00 0.00 H new ATOM 0 HA SER A 853 12.287 3.233 -3.559 1.00 0.00 H new ATOM 0 HB2 SER A 853 13.768 1.447 -4.666 1.00 0.00 H new ATOM 0 HB3 SER A 853 12.335 0.443 -4.771 1.00 0.00 H new ATOM 0 HG SER A 853 12.668 1.700 -6.692 1.00 0.00 H new ATOM 836 N GLU A 854 10.222 0.660 -3.230 1.00 0.00 N ATOM 837 CA GLU A 854 8.812 0.297 -3.137 1.00 0.00 C ATOM 838 C GLU A 854 8.132 1.042 -1.993 1.00 0.00 C ATOM 839 O GLU A 854 7.077 1.650 -2.173 1.00 0.00 O ATOM 840 CB GLU A 854 8.664 -1.213 -2.936 1.00 0.00 C ATOM 841 CG GLU A 854 9.243 -2.038 -4.073 1.00 0.00 C ATOM 842 CD GLU A 854 8.569 -1.755 -5.402 1.00 0.00 C ATOM 843 OE1 GLU A 854 8.848 -0.691 -5.993 1.00 0.00 O ATOM 844 OE2 GLU A 854 7.762 -2.597 -5.850 1.00 0.00 O ATOM 0 H GLU A 854 10.867 -0.126 -3.149 1.00 0.00 H new ATOM 0 HA GLU A 854 8.328 0.582 -4.071 1.00 0.00 H new ATOM 0 HB2 GLU A 854 9.155 -1.497 -2.005 1.00 0.00 H new ATOM 0 HB3 GLU A 854 7.607 -1.454 -2.825 1.00 0.00 H new ATOM 0 HG2 GLU A 854 10.310 -1.832 -4.160 1.00 0.00 H new ATOM 0 HG3 GLU A 854 9.141 -3.097 -3.837 1.00 0.00 H new ATOM 851 N VAL A 855 8.745 0.991 -0.814 1.00 0.00 N ATOM 852 CA VAL A 855 8.200 1.661 0.360 1.00 0.00 C ATOM 853 C VAL A 855 7.729 3.071 0.020 1.00 0.00 C ATOM 854 O VAL A 855 6.584 3.436 0.289 1.00 0.00 O ATOM 855 CB VAL A 855 9.240 1.740 1.494 1.00 0.00 C ATOM 856 CG1 VAL A 855 8.753 2.661 2.602 1.00 0.00 C ATOM 857 CG2 VAL A 855 9.540 0.351 2.038 1.00 0.00 C ATOM 0 H VAL A 855 9.619 0.493 -0.647 1.00 0.00 H new ATOM 0 HA VAL A 855 7.350 1.068 0.696 1.00 0.00 H new ATOM 0 HB VAL A 855 10.163 2.155 1.089 1.00 0.00 H new ATOM 0 HG11 VAL A 855 9.501 2.704 3.394 1.00 0.00 H new ATOM 0 HG12 VAL A 855 8.592 3.661 2.200 1.00 0.00 H new ATOM 0 HG13 VAL A 855 7.816 2.279 3.008 1.00 0.00 H new ATOM 0 HG21 VAL A 855 10.276 0.425 2.838 1.00 0.00 H new ATOM 0 HG22 VAL A 855 8.624 -0.093 2.428 1.00 0.00 H new ATOM 0 HG23 VAL A 855 9.935 -0.276 1.238 1.00 0.00 H new ATOM 867 N TYR A 856 8.618 3.858 -0.575 1.00 0.00 N ATOM 868 CA TYR A 856 8.294 5.229 -0.951 1.00 0.00 C ATOM 869 C TYR A 856 7.093 5.267 -1.891 1.00 0.00 C ATOM 870 O TYR A 856 6.160 6.043 -1.693 1.00 0.00 O ATOM 871 CB TYR A 856 9.499 5.895 -1.618 1.00 0.00 C ATOM 872 CG TYR A 856 10.689 6.054 -0.699 1.00 0.00 C ATOM 873 CD1 TYR A 856 10.581 6.755 0.495 1.00 0.00 C ATOM 874 CD2 TYR A 856 11.921 5.500 -1.025 1.00 0.00 C ATOM 875 CE1 TYR A 856 11.666 6.903 1.338 1.00 0.00 C ATOM 876 CE2 TYR A 856 13.011 5.642 -0.188 1.00 0.00 C ATOM 877 CZ TYR A 856 12.879 6.344 0.992 1.00 0.00 C ATOM 878 OH TYR A 856 13.962 6.488 1.829 1.00 0.00 O ATOM 0 H TYR A 856 9.569 3.570 -0.807 1.00 0.00 H new ATOM 0 HA TYR A 856 8.040 5.777 -0.044 1.00 0.00 H new ATOM 0 HB2 TYR A 856 9.796 5.304 -2.485 1.00 0.00 H new ATOM 0 HB3 TYR A 856 9.202 6.877 -1.988 1.00 0.00 H new ATOM 0 HD1 TYR A 856 9.632 7.192 0.770 1.00 0.00 H new ATOM 0 HD2 TYR A 856 12.028 4.949 -1.948 1.00 0.00 H new ATOM 0 HE1 TYR A 856 11.565 7.453 2.262 1.00 0.00 H new ATOM 0 HE2 TYR A 856 13.962 5.206 -0.456 1.00 0.00 H new ATOM 0 HH TYR A 856 13.681 6.939 2.652 1.00 0.00 H new ATOM 888 N ASN A 857 7.125 4.420 -2.916 1.00 0.00 N ATOM 889 CA ASN A 857 6.040 4.355 -3.888 1.00 0.00 C ATOM 890 C ASN A 857 4.702 4.121 -3.194 1.00 0.00 C ATOM 891 O ASN A 857 3.655 4.541 -3.686 1.00 0.00 O ATOM 892 CB ASN A 857 6.303 3.241 -4.903 1.00 0.00 C ATOM 893 CG ASN A 857 5.348 3.294 -6.080 1.00 0.00 C ATOM 894 OD1 ASN A 857 5.082 4.363 -6.630 1.00 0.00 O ATOM 895 ND2 ASN A 857 4.826 2.137 -6.471 1.00 0.00 N ATOM 0 H ASN A 857 7.890 3.770 -3.094 1.00 0.00 H new ATOM 0 HA ASN A 857 5.996 5.310 -4.411 1.00 0.00 H new ATOM 0 HB2 ASN A 857 7.328 3.319 -5.266 1.00 0.00 H new ATOM 0 HB3 ASN A 857 6.213 2.274 -4.408 1.00 0.00 H new ATOM 0 HD21 ASN A 857 4.176 2.110 -7.257 1.00 0.00 H new ATOM 0 HD22 ASN A 857 5.075 1.275 -5.986 1.00 0.00 H new ATOM 902 N GLN A 858 4.745 3.449 -2.048 1.00 0.00 N ATOM 903 CA GLN A 858 3.535 3.159 -1.287 1.00 0.00 C ATOM 904 C GLN A 858 3.149 4.344 -0.407 1.00 0.00 C ATOM 905 O GLN A 858 1.972 4.688 -0.294 1.00 0.00 O ATOM 906 CB GLN A 858 3.737 1.913 -0.423 1.00 0.00 C ATOM 907 CG GLN A 858 3.903 0.635 -1.230 1.00 0.00 C ATOM 908 CD GLN A 858 2.621 0.206 -1.915 1.00 0.00 C ATOM 909 OE1 GLN A 858 2.565 0.095 -3.140 1.00 0.00 O ATOM 910 NE2 GLN A 858 1.581 -0.038 -1.126 1.00 0.00 N ATOM 0 H GLN A 858 5.604 3.095 -1.626 1.00 0.00 H new ATOM 0 HA GLN A 858 2.726 2.975 -1.994 1.00 0.00 H new ATOM 0 HB2 GLN A 858 4.617 2.054 0.204 1.00 0.00 H new ATOM 0 HB3 GLN A 858 2.884 1.802 0.246 1.00 0.00 H new ATOM 0 HG2 GLN A 858 4.680 0.782 -1.981 1.00 0.00 H new ATOM 0 HG3 GLN A 858 4.243 -0.164 -0.572 1.00 0.00 H new ATOM 0 HE21 GLN A 858 1.672 0.067 -0.115 1.00 0.00 H new ATOM 0 HE22 GLN A 858 0.691 -0.330 -1.531 1.00 0.00 H new ATOM 919 N LEU A 859 4.146 4.964 0.213 1.00 0.00 N ATOM 920 CA LEU A 859 3.911 6.111 1.083 1.00 0.00 C ATOM 921 C LEU A 859 3.820 7.400 0.273 1.00 0.00 C ATOM 922 O LEU A 859 4.674 7.679 -0.569 1.00 0.00 O ATOM 923 CB LEU A 859 5.028 6.226 2.122 1.00 0.00 C ATOM 924 CG LEU A 859 5.353 4.952 2.902 1.00 0.00 C ATOM 925 CD1 LEU A 859 6.234 5.270 4.100 1.00 0.00 C ATOM 926 CD2 LEU A 859 4.074 4.259 3.347 1.00 0.00 C ATOM 0 H LEU A 859 5.125 4.692 0.130 1.00 0.00 H new ATOM 0 HA LEU A 859 2.961 5.958 1.595 1.00 0.00 H new ATOM 0 HB2 LEU A 859 5.934 6.560 1.616 1.00 0.00 H new ATOM 0 HB3 LEU A 859 4.755 7.005 2.834 1.00 0.00 H new ATOM 0 HG LEU A 859 5.899 4.275 2.245 1.00 0.00 H new ATOM 0 HD11 LEU A 859 6.455 4.351 4.643 1.00 0.00 H new ATOM 0 HD12 LEU A 859 7.165 5.722 3.757 1.00 0.00 H new ATOM 0 HD13 LEU A 859 5.714 5.965 4.759 1.00 0.00 H new ATOM 0 HD21 LEU A 859 4.324 3.354 3.901 1.00 0.00 H new ATOM 0 HD22 LEU A 859 3.501 4.929 3.987 1.00 0.00 H new ATOM 0 HD23 LEU A 859 3.479 3.996 2.472 1.00 0.00 H new ATOM 938 N LYS A 860 2.779 8.184 0.533 1.00 0.00 N ATOM 939 CA LYS A 860 2.577 9.446 -0.169 1.00 0.00 C ATOM 940 C LYS A 860 3.608 10.483 0.267 1.00 0.00 C ATOM 941 O LYS A 860 3.881 11.443 -0.454 1.00 0.00 O ATOM 942 CB LYS A 860 1.165 9.976 0.088 1.00 0.00 C ATOM 943 CG LYS A 860 0.136 9.474 -0.910 1.00 0.00 C ATOM 944 CD LYS A 860 -0.279 8.043 -0.612 1.00 0.00 C ATOM 945 CE LYS A 860 -1.286 7.980 0.526 1.00 0.00 C ATOM 946 NZ LYS A 860 -2.681 8.172 0.044 1.00 0.00 N ATOM 0 H LYS A 860 2.062 7.967 1.225 1.00 0.00 H new ATOM 0 HA LYS A 860 2.701 9.263 -1.236 1.00 0.00 H new ATOM 0 HB2 LYS A 860 0.855 9.688 1.093 1.00 0.00 H new ATOM 0 HB3 LYS A 860 1.184 11.065 0.060 1.00 0.00 H new ATOM 0 HG2 LYS A 860 -0.741 10.121 -0.886 1.00 0.00 H new ATOM 0 HG3 LYS A 860 0.547 9.532 -1.918 1.00 0.00 H new ATOM 0 HD2 LYS A 860 -0.711 7.595 -1.507 1.00 0.00 H new ATOM 0 HD3 LYS A 860 0.601 7.454 -0.353 1.00 0.00 H new ATOM 0 HE2 LYS A 860 -1.205 7.017 1.029 1.00 0.00 H new ATOM 0 HE3 LYS A 860 -1.048 8.746 1.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 860 -3.337 8.122 0.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 860 -2.765 9.102 -0.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 860 -2.917 7.426 -0.641 1.00 0.00 H new ATOM 960 N PHE A 861 4.177 10.282 1.451 1.00 0.00 N ATOM 961 CA PHE A 861 5.179 11.199 1.983 1.00 0.00 C ATOM 962 C PHE A 861 6.536 10.513 2.102 1.00 0.00 C ATOM 963 O PHE A 861 6.633 9.304 2.312 1.00 0.00 O ATOM 964 CB PHE A 861 4.741 11.729 3.350 1.00 0.00 C ATOM 965 CG PHE A 861 4.528 10.648 4.371 1.00 0.00 C ATOM 966 CD1 PHE A 861 5.602 9.930 4.873 1.00 0.00 C ATOM 967 CD2 PHE A 861 3.255 10.351 4.830 1.00 0.00 C ATOM 968 CE1 PHE A 861 5.410 8.936 5.813 1.00 0.00 C ATOM 969 CE2 PHE A 861 3.058 9.357 5.770 1.00 0.00 C ATOM 970 CZ PHE A 861 4.136 8.648 6.262 1.00 0.00 C ATOM 0 H PHE A 861 3.962 9.493 2.060 1.00 0.00 H new ATOM 0 HA PHE A 861 5.274 12.035 1.290 1.00 0.00 H new ATOM 0 HB2 PHE A 861 5.495 12.424 3.720 1.00 0.00 H new ATOM 0 HB3 PHE A 861 3.816 12.294 3.233 1.00 0.00 H new ATOM 0 HD1 PHE A 861 6.601 10.150 4.525 1.00 0.00 H new ATOM 0 HD2 PHE A 861 2.408 10.902 4.449 1.00 0.00 H new ATOM 0 HE1 PHE A 861 6.256 8.384 6.197 1.00 0.00 H new ATOM 0 HE2 PHE A 861 2.061 9.135 6.120 1.00 0.00 H new ATOM 0 HZ PHE A 861 3.983 7.870 6.996 1.00 0.00 H new ATOM 980 N PRO A 862 7.612 11.303 1.963 1.00 0.00 N ATOM 981 CA PRO A 862 8.984 10.794 2.050 1.00 0.00 C ATOM 982 C PRO A 862 9.356 10.371 3.467 1.00 0.00 C ATOM 983 O PRO A 862 8.795 10.871 4.443 1.00 0.00 O ATOM 984 CB PRO A 862 9.834 11.988 1.608 1.00 0.00 C ATOM 985 CG PRO A 862 8.997 13.183 1.915 1.00 0.00 C ATOM 986 CD PRO A 862 7.571 12.753 1.710 1.00 0.00 C ATOM 0 HA PRO A 862 9.127 9.902 1.440 1.00 0.00 H new ATOM 0 HB2 PRO A 862 10.782 12.020 2.145 1.00 0.00 H new ATOM 0 HB3 PRO A 862 10.072 11.933 0.546 1.00 0.00 H new ATOM 0 HG2 PRO A 862 9.159 13.521 2.939 1.00 0.00 H new ATOM 0 HG3 PRO A 862 9.251 14.016 1.260 1.00 0.00 H new ATOM 0 HD2 PRO A 862 6.895 13.262 2.397 1.00 0.00 H new ATOM 0 HD3 PRO A 862 7.226 12.975 0.700 1.00 0.00 H new ATOM 994 N VAL A 863 10.306 9.447 3.574 1.00 0.00 N ATOM 995 CA VAL A 863 10.754 8.958 4.873 1.00 0.00 C ATOM 996 C VAL A 863 12.208 9.337 5.130 1.00 0.00 C ATOM 997 O VAL A 863 13.043 9.289 4.227 1.00 0.00 O ATOM 998 CB VAL A 863 10.606 7.429 4.977 1.00 0.00 C ATOM 999 CG1 VAL A 863 11.169 6.927 6.299 1.00 0.00 C ATOM 1000 CG2 VAL A 863 9.149 7.022 4.820 1.00 0.00 C ATOM 0 H VAL A 863 10.780 9.022 2.777 1.00 0.00 H new ATOM 0 HA VAL A 863 10.121 9.428 5.625 1.00 0.00 H new ATOM 0 HB VAL A 863 11.176 6.971 4.169 1.00 0.00 H new ATOM 0 HG11 VAL A 863 11.056 5.844 6.355 1.00 0.00 H new ATOM 0 HG12 VAL A 863 12.226 7.185 6.366 1.00 0.00 H new ATOM 0 HG13 VAL A 863 10.629 7.391 7.124 1.00 0.00 H new ATOM 0 HG21 VAL A 863 9.064 5.938 4.896 1.00 0.00 H new ATOM 0 HG22 VAL A 863 8.554 7.489 5.605 1.00 0.00 H new ATOM 0 HG23 VAL A 863 8.783 7.347 3.846 1.00 0.00 H new ATOM 1010 N LYS A 864 12.505 9.713 6.370 1.00 0.00 N ATOM 1011 CA LYS A 864 13.859 10.099 6.749 1.00 0.00 C ATOM 1012 C LYS A 864 14.816 8.918 6.623 1.00 0.00 C ATOM 1013 O LYS A 864 14.412 7.755 6.643 1.00 0.00 O ATOM 1014 CB LYS A 864 13.876 10.633 8.183 1.00 0.00 C ATOM 1015 CG LYS A 864 13.417 12.076 8.301 1.00 0.00 C ATOM 1016 CD LYS A 864 14.521 13.045 7.913 1.00 0.00 C ATOM 1017 CE LYS A 864 14.231 14.450 8.419 1.00 0.00 C ATOM 1018 NZ LYS A 864 15.102 15.466 7.765 1.00 0.00 N ATOM 0 H LYS A 864 11.826 9.758 7.129 1.00 0.00 H new ATOM 0 HA LYS A 864 14.190 10.886 6.071 1.00 0.00 H new ATOM 0 HB2 LYS A 864 13.236 10.005 8.803 1.00 0.00 H new ATOM 0 HB3 LYS A 864 14.887 10.549 8.581 1.00 0.00 H new ATOM 0 HG2 LYS A 864 12.549 12.236 7.661 1.00 0.00 H new ATOM 0 HG3 LYS A 864 13.100 12.275 9.325 1.00 0.00 H new ATOM 0 HD2 LYS A 864 15.471 12.699 8.321 1.00 0.00 H new ATOM 0 HD3 LYS A 864 14.627 13.062 6.828 1.00 0.00 H new ATOM 0 HE2 LYS A 864 13.185 14.694 8.233 1.00 0.00 H new ATOM 0 HE3 LYS A 864 14.379 14.485 9.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 864 14.874 16.410 8.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 864 16.099 15.248 7.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 864 14.942 15.451 6.737 1.00 0.00 H new ATOM 1032 N PRO A 865 16.116 9.220 6.493 1.00 0.00 N ATOM 1033 CA PRO A 865 17.158 8.197 6.364 1.00 0.00 C ATOM 1034 C PRO A 865 17.368 7.418 7.657 1.00 0.00 C ATOM 1035 O PRO A 865 17.551 6.201 7.637 1.00 0.00 O ATOM 1036 CB PRO A 865 18.410 9.007 6.018 1.00 0.00 C ATOM 1037 CG PRO A 865 18.152 10.362 6.581 1.00 0.00 C ATOM 1038 CD PRO A 865 16.670 10.585 6.462 1.00 0.00 C ATOM 0 HA PRO A 865 16.901 7.445 5.618 1.00 0.00 H new ATOM 0 HB2 PRO A 865 19.303 8.561 6.454 1.00 0.00 H new ATOM 0 HB3 PRO A 865 18.569 9.050 4.940 1.00 0.00 H new ATOM 0 HG2 PRO A 865 18.473 10.420 7.621 1.00 0.00 H new ATOM 0 HG3 PRO A 865 18.706 11.124 6.033 1.00 0.00 H new ATOM 0 HD2 PRO A 865 16.288 11.193 7.282 1.00 0.00 H new ATOM 0 HD3 PRO A 865 16.414 11.102 5.537 1.00 0.00 H new ATOM 1046 N ALA A 866 17.342 8.127 8.781 1.00 0.00 N ATOM 1047 CA ALA A 866 17.527 7.500 10.084 1.00 0.00 C ATOM 1048 C ALA A 866 16.496 6.402 10.317 1.00 0.00 C ATOM 1049 O ALA A 866 16.848 5.239 10.516 1.00 0.00 O ATOM 1050 CB ALA A 866 17.447 8.545 11.188 1.00 0.00 C ATOM 0 H ALA A 866 17.195 9.136 8.815 1.00 0.00 H new ATOM 0 HA ALA A 866 18.516 7.042 10.102 1.00 0.00 H new ATOM 0 HB1 ALA A 866 17.587 8.063 12.156 1.00 0.00 H new ATOM 0 HB2 ALA A 866 18.226 9.292 11.039 1.00 0.00 H new ATOM 0 HB3 ALA A 866 16.471 9.029 11.161 1.00 0.00 H new ATOM 1056 N ASP A 867 15.222 6.777 10.290 1.00 0.00 N ATOM 1057 CA ASP A 867 14.139 5.823 10.498 1.00 0.00 C ATOM 1058 C ASP A 867 14.199 4.700 9.468 1.00 0.00 C ATOM 1059 O ASP A 867 14.371 3.531 9.817 1.00 0.00 O ATOM 1060 CB ASP A 867 12.785 6.531 10.421 1.00 0.00 C ATOM 1061 CG ASP A 867 12.463 7.304 11.685 1.00 0.00 C ATOM 1062 OD1 ASP A 867 12.719 6.774 12.787 1.00 0.00 O ATOM 1063 OD2 ASP A 867 11.957 8.440 11.573 1.00 0.00 O ATOM 0 H ASP A 867 14.914 7.735 10.126 1.00 0.00 H new ATOM 0 HA ASP A 867 14.257 5.388 11.490 1.00 0.00 H new ATOM 0 HB2 ASP A 867 12.783 7.213 9.571 1.00 0.00 H new ATOM 0 HB3 ASP A 867 12.003 5.794 10.240 1.00 0.00 H new ATOM 1068 N LEU A 868 14.055 5.062 8.197 1.00 0.00 N ATOM 1069 CA LEU A 868 14.092 4.084 7.115 1.00 0.00 C ATOM 1070 C LEU A 868 15.071 2.958 7.432 1.00 0.00 C ATOM 1071 O LEU A 868 14.700 1.784 7.445 1.00 0.00 O ATOM 1072 CB LEU A 868 14.486 4.763 5.802 1.00 0.00 C ATOM 1073 CG LEU A 868 14.387 3.899 4.544 1.00 0.00 C ATOM 1074 CD1 LEU A 868 12.932 3.653 4.178 1.00 0.00 C ATOM 1075 CD2 LEU A 868 15.126 4.555 3.387 1.00 0.00 C ATOM 0 H LEU A 868 13.912 6.024 7.891 1.00 0.00 H new ATOM 0 HA LEU A 868 13.095 3.655 7.011 1.00 0.00 H new ATOM 0 HB2 LEU A 868 13.854 5.641 5.666 1.00 0.00 H new ATOM 0 HB3 LEU A 868 15.512 5.120 5.894 1.00 0.00 H new ATOM 0 HG LEU A 868 14.856 2.937 4.750 1.00 0.00 H new ATOM 0 HD11 LEU A 868 12.882 3.037 3.280 1.00 0.00 H new ATOM 0 HD12 LEU A 868 12.432 3.140 4.999 1.00 0.00 H new ATOM 0 HD13 LEU A 868 12.438 4.606 3.991 1.00 0.00 H new ATOM 0 HD21 LEU A 868 15.045 3.926 2.500 1.00 0.00 H new ATOM 0 HD22 LEU A 868 14.687 5.531 3.181 1.00 0.00 H new ATOM 0 HD23 LEU A 868 16.177 4.678 3.650 1.00 0.00 H new ATOM 1087 N LYS A 869 16.322 3.323 7.688 1.00 0.00 N ATOM 1088 CA LYS A 869 17.355 2.344 8.009 1.00 0.00 C ATOM 1089 C LYS A 869 16.934 1.477 9.191 1.00 0.00 C ATOM 1090 O LYS A 869 17.030 0.251 9.141 1.00 0.00 O ATOM 1091 CB LYS A 869 18.675 3.051 8.324 1.00 0.00 C ATOM 1092 CG LYS A 869 19.552 3.274 7.105 1.00 0.00 C ATOM 1093 CD LYS A 869 20.720 4.194 7.419 1.00 0.00 C ATOM 1094 CE LYS A 869 21.812 3.465 8.187 1.00 0.00 C ATOM 1095 NZ LYS A 869 22.680 4.408 8.945 1.00 0.00 N ATOM 0 H LYS A 869 16.646 4.290 7.680 1.00 0.00 H new ATOM 0 HA LYS A 869 17.494 1.700 7.141 1.00 0.00 H new ATOM 0 HB2 LYS A 869 18.460 4.014 8.787 1.00 0.00 H new ATOM 0 HB3 LYS A 869 19.228 2.461 9.056 1.00 0.00 H new ATOM 0 HG2 LYS A 869 19.928 2.316 6.746 1.00 0.00 H new ATOM 0 HG3 LYS A 869 18.955 3.704 6.300 1.00 0.00 H new ATOM 0 HD2 LYS A 869 21.130 4.593 6.491 1.00 0.00 H new ATOM 0 HD3 LYS A 869 20.368 5.044 8.003 1.00 0.00 H new ATOM 0 HE2 LYS A 869 21.358 2.754 8.878 1.00 0.00 H new ATOM 0 HE3 LYS A 869 22.422 2.889 7.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 869 23.412 3.873 9.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 869 23.133 5.070 8.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 869 22.102 4.940 9.626 1.00 0.00 H new ATOM 1109 N LYS A 870 16.468 2.122 10.255 1.00 0.00 N ATOM 1110 CA LYS A 870 16.030 1.411 11.450 1.00 0.00 C ATOM 1111 C LYS A 870 14.961 0.378 11.108 1.00 0.00 C ATOM 1112 O LYS A 870 15.199 -0.827 11.192 1.00 0.00 O ATOM 1113 CB LYS A 870 15.487 2.397 12.486 1.00 0.00 C ATOM 1114 CG LYS A 870 16.572 3.128 13.257 1.00 0.00 C ATOM 1115 CD LYS A 870 16.001 4.277 14.072 1.00 0.00 C ATOM 1116 CE LYS A 870 17.091 5.235 14.525 1.00 0.00 C ATOM 1117 NZ LYS A 870 16.582 6.230 15.509 1.00 0.00 N ATOM 0 H LYS A 870 16.384 3.137 10.314 1.00 0.00 H new ATOM 0 HA LYS A 870 16.892 0.892 11.869 1.00 0.00 H new ATOM 0 HB2 LYS A 870 14.855 3.129 11.983 1.00 0.00 H new ATOM 0 HB3 LYS A 870 14.853 1.859 13.190 1.00 0.00 H new ATOM 0 HG2 LYS A 870 17.082 2.429 13.920 1.00 0.00 H new ATOM 0 HG3 LYS A 870 17.319 3.510 12.561 1.00 0.00 H new ATOM 0 HD2 LYS A 870 15.265 4.817 13.476 1.00 0.00 H new ATOM 0 HD3 LYS A 870 15.478 3.882 14.943 1.00 0.00 H new ATOM 0 HE2 LYS A 870 17.909 4.669 14.971 1.00 0.00 H new ATOM 0 HE3 LYS A 870 17.499 5.757 13.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 870 17.356 6.865 15.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 870 15.818 6.787 15.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 870 16.216 5.734 16.347 1.00 0.00 H new ATOM 1131 N ARG A 871 13.784 0.858 10.719 1.00 0.00 N ATOM 1132 CA ARG A 871 12.679 -0.024 10.364 1.00 0.00 C ATOM 1133 C ARG A 871 13.187 -1.269 9.643 1.00 0.00 C ATOM 1134 O ARG A 871 12.813 -2.392 9.983 1.00 0.00 O ATOM 1135 CB ARG A 871 11.672 0.715 9.479 1.00 0.00 C ATOM 1136 CG ARG A 871 10.726 1.616 10.256 1.00 0.00 C ATOM 1137 CD ARG A 871 11.480 2.709 10.996 1.00 0.00 C ATOM 1138 NE ARG A 871 12.073 2.221 12.238 1.00 0.00 N ATOM 1139 CZ ARG A 871 12.448 3.014 13.235 1.00 0.00 C ATOM 1140 NH1 ARG A 871 12.291 4.327 13.138 1.00 0.00 N ATOM 1141 NH2 ARG A 871 12.981 2.494 14.334 1.00 0.00 N ATOM 0 H ARG A 871 13.571 1.853 10.642 1.00 0.00 H new ATOM 0 HA ARG A 871 12.185 -0.334 11.285 1.00 0.00 H new ATOM 0 HB2 ARG A 871 12.215 1.315 8.749 1.00 0.00 H new ATOM 0 HB3 ARG A 871 11.087 -0.016 8.920 1.00 0.00 H new ATOM 0 HG2 ARG A 871 10.008 2.067 9.572 1.00 0.00 H new ATOM 0 HG3 ARG A 871 10.156 1.019 10.968 1.00 0.00 H new ATOM 0 HD2 ARG A 871 12.264 3.108 10.352 1.00 0.00 H new ATOM 0 HD3 ARG A 871 10.800 3.532 11.218 1.00 0.00 H new ATOM 0 HE ARG A 871 12.207 1.216 12.346 1.00 0.00 H new ATOM 0 HH11 ARG A 871 11.881 4.731 12.296 1.00 0.00 H new ATOM 0 HH12 ARG A 871 12.580 4.933 13.906 1.00 0.00 H new ATOM 0 HH21 ARG A 871 13.103 1.484 14.413 1.00 0.00 H new ATOM 0 HH22 ARG A 871 13.269 3.104 15.099 1.00 0.00 H new ATOM 1155 N ILE A 872 14.041 -1.062 8.646 1.00 0.00 N ATOM 1156 CA ILE A 872 14.601 -2.167 7.878 1.00 0.00 C ATOM 1157 C ILE A 872 15.257 -3.196 8.793 1.00 0.00 C ATOM 1158 O ILE A 872 14.771 -4.318 8.929 1.00 0.00 O ATOM 1159 CB ILE A 872 15.639 -1.672 6.853 1.00 0.00 C ATOM 1160 CG1 ILE A 872 14.963 -0.807 5.788 1.00 0.00 C ATOM 1161 CG2 ILE A 872 16.353 -2.851 6.211 1.00 0.00 C ATOM 1162 CD1 ILE A 872 15.923 0.095 5.044 1.00 0.00 C ATOM 0 H ILE A 872 14.360 -0.139 8.351 1.00 0.00 H new ATOM 0 HA ILE A 872 13.772 -2.633 7.346 1.00 0.00 H new ATOM 0 HB ILE A 872 16.379 -1.063 7.372 1.00 0.00 H new ATOM 0 HG12 ILE A 872 14.457 -1.455 5.072 1.00 0.00 H new ATOM 0 HG13 ILE A 872 14.195 -0.195 6.262 1.00 0.00 H new ATOM 0 HG21 ILE A 872 17.083 -2.485 5.489 1.00 0.00 H new ATOM 0 HG22 ILE A 872 16.863 -3.431 6.981 1.00 0.00 H new ATOM 0 HG23 ILE A 872 15.626 -3.484 5.702 1.00 0.00 H new ATOM 0 HD11 ILE A 872 15.375 0.679 4.305 1.00 0.00 H new ATOM 0 HD12 ILE A 872 16.410 0.768 5.749 1.00 0.00 H new ATOM 0 HD13 ILE A 872 16.676 -0.511 4.541 1.00 0.00 H new ATOM 1174 N GLU A 873 16.362 -2.803 9.418 1.00 0.00 N ATOM 1175 CA GLU A 873 17.084 -3.692 10.322 1.00 0.00 C ATOM 1176 C GLU A 873 16.127 -4.373 11.295 1.00 0.00 C ATOM 1177 O GLU A 873 16.036 -5.600 11.338 1.00 0.00 O ATOM 1178 CB GLU A 873 18.148 -2.913 11.097 1.00 0.00 C ATOM 1179 CG GLU A 873 19.313 -2.452 10.237 1.00 0.00 C ATOM 1180 CD GLU A 873 20.426 -3.479 10.162 1.00 0.00 C ATOM 1181 OE1 GLU A 873 20.298 -4.436 9.370 1.00 0.00 O ATOM 1182 OE2 GLU A 873 21.425 -3.325 10.895 1.00 0.00 O ATOM 0 H GLU A 873 16.777 -1.877 9.316 1.00 0.00 H new ATOM 0 HA GLU A 873 17.572 -4.460 9.722 1.00 0.00 H new ATOM 0 HB2 GLU A 873 17.683 -2.043 11.561 1.00 0.00 H new ATOM 0 HB3 GLU A 873 18.529 -3.539 11.904 1.00 0.00 H new ATOM 0 HG2 GLU A 873 18.954 -2.237 9.231 1.00 0.00 H new ATOM 0 HG3 GLU A 873 19.710 -1.520 10.639 1.00 0.00 H new ATOM 1189 N SER A 874 15.414 -3.567 12.077 1.00 0.00 N ATOM 1190 CA SER A 874 14.467 -4.091 13.053 1.00 0.00 C ATOM 1191 C SER A 874 13.657 -5.241 12.462 1.00 0.00 C ATOM 1192 O SER A 874 13.696 -6.366 12.963 1.00 0.00 O ATOM 1193 CB SER A 874 13.526 -2.982 13.529 1.00 0.00 C ATOM 1194 OG SER A 874 14.209 -2.053 14.353 1.00 0.00 O ATOM 0 H SER A 874 15.475 -2.549 12.053 1.00 0.00 H new ATOM 0 HA SER A 874 15.033 -4.468 13.905 1.00 0.00 H new ATOM 0 HB2 SER A 874 13.102 -2.466 12.668 1.00 0.00 H new ATOM 0 HB3 SER A 874 12.693 -3.419 14.081 1.00 0.00 H new ATOM 0 HG SER A 874 13.587 -1.354 14.643 1.00 0.00 H new ATOM 1200 N LEU A 875 12.923 -4.951 11.393 1.00 0.00 N ATOM 1201 CA LEU A 875 12.103 -5.960 10.732 1.00 0.00 C ATOM 1202 C LEU A 875 12.889 -7.252 10.528 1.00 0.00 C ATOM 1203 O LEU A 875 12.380 -8.345 10.778 1.00 0.00 O ATOM 1204 CB LEU A 875 11.602 -5.436 9.385 1.00 0.00 C ATOM 1205 CG LEU A 875 10.474 -4.405 9.444 1.00 0.00 C ATOM 1206 CD1 LEU A 875 10.177 -3.860 8.056 1.00 0.00 C ATOM 1207 CD2 LEU A 875 9.224 -5.018 10.057 1.00 0.00 C ATOM 0 H LEU A 875 12.879 -4.026 10.966 1.00 0.00 H new ATOM 0 HA LEU A 875 11.247 -6.174 11.372 1.00 0.00 H new ATOM 0 HB2 LEU A 875 12.445 -4.993 8.854 1.00 0.00 H new ATOM 0 HB3 LEU A 875 11.261 -6.284 8.792 1.00 0.00 H new ATOM 0 HG LEU A 875 10.796 -3.577 10.076 1.00 0.00 H new ATOM 0 HD11 LEU A 875 9.372 -3.128 8.117 1.00 0.00 H new ATOM 0 HD12 LEU A 875 11.071 -3.384 7.653 1.00 0.00 H new ATOM 0 HD13 LEU A 875 9.875 -4.677 7.401 1.00 0.00 H new ATOM 0 HD21 LEU A 875 8.431 -4.270 10.091 1.00 0.00 H new ATOM 0 HD22 LEU A 875 8.899 -5.864 9.451 1.00 0.00 H new ATOM 0 HD23 LEU A 875 9.445 -5.359 11.068 1.00 0.00 H new ATOM 1219 N ILE A 876 14.130 -7.118 10.073 1.00 0.00 N ATOM 1220 CA ILE A 876 14.987 -8.274 9.839 1.00 0.00 C ATOM 1221 C ILE A 876 15.205 -9.066 11.124 1.00 0.00 C ATOM 1222 O ILE A 876 15.337 -10.290 11.096 1.00 0.00 O ATOM 1223 CB ILE A 876 16.355 -7.855 9.269 1.00 0.00 C ATOM 1224 CG1 ILE A 876 16.172 -7.087 7.958 1.00 0.00 C ATOM 1225 CG2 ILE A 876 17.236 -9.076 9.055 1.00 0.00 C ATOM 1226 CD1 ILE A 876 17.455 -6.491 7.423 1.00 0.00 C ATOM 0 H ILE A 876 14.565 -6.220 9.859 1.00 0.00 H new ATOM 0 HA ILE A 876 14.476 -8.903 9.110 1.00 0.00 H new ATOM 0 HB ILE A 876 16.846 -7.199 9.987 1.00 0.00 H new ATOM 0 HG12 ILE A 876 15.752 -7.758 7.209 1.00 0.00 H new ATOM 0 HG13 ILE A 876 15.447 -6.288 8.112 1.00 0.00 H new ATOM 0 HG21 ILE A 876 18.199 -8.763 8.652 1.00 0.00 H new ATOM 0 HG22 ILE A 876 17.389 -9.586 10.006 1.00 0.00 H new ATOM 0 HG23 ILE A 876 16.752 -9.755 8.353 1.00 0.00 H new ATOM 0 HD11 ILE A 876 17.250 -5.962 6.493 1.00 0.00 H new ATOM 0 HD12 ILE A 876 17.865 -5.794 8.154 1.00 0.00 H new ATOM 0 HD13 ILE A 876 18.176 -7.287 7.236 1.00 0.00 H new ATOM 1238 N ASP A 877 15.239 -8.360 12.249 1.00 0.00 N ATOM 1239 CA ASP A 877 15.438 -8.997 13.545 1.00 0.00 C ATOM 1240 C ASP A 877 14.107 -9.446 14.140 1.00 0.00 C ATOM 1241 O ASP A 877 14.073 -10.183 15.125 1.00 0.00 O ATOM 1242 CB ASP A 877 16.143 -8.038 14.506 1.00 0.00 C ATOM 1243 CG ASP A 877 16.755 -8.755 15.693 1.00 0.00 C ATOM 1244 OD1 ASP A 877 16.289 -9.866 16.020 1.00 0.00 O ATOM 1245 OD2 ASP A 877 17.701 -8.204 16.295 1.00 0.00 O ATOM 0 H ASP A 877 15.131 -7.346 12.289 1.00 0.00 H new ATOM 0 HA ASP A 877 16.065 -9.877 13.397 1.00 0.00 H new ATOM 0 HB2 ASP A 877 16.923 -7.499 13.969 1.00 0.00 H new ATOM 0 HB3 ASP A 877 15.429 -7.295 14.862 1.00 0.00 H new ATOM 1250 N ARG A 878 13.012 -8.995 13.536 1.00 0.00 N ATOM 1251 CA ARG A 878 11.679 -9.348 14.007 1.00 0.00 C ATOM 1252 C ARG A 878 11.214 -10.664 13.388 1.00 0.00 C ATOM 1253 O ARG A 878 10.016 -10.896 13.227 1.00 0.00 O ATOM 1254 CB ARG A 878 10.685 -8.235 13.671 1.00 0.00 C ATOM 1255 CG ARG A 878 10.670 -7.105 14.688 1.00 0.00 C ATOM 1256 CD ARG A 878 9.744 -5.979 14.255 1.00 0.00 C ATOM 1257 NE ARG A 878 9.580 -4.973 15.301 1.00 0.00 N ATOM 1258 CZ ARG A 878 8.669 -4.007 15.256 1.00 0.00 C ATOM 1259 NH1 ARG A 878 7.845 -3.917 14.221 1.00 0.00 N ATOM 1260 NH2 ARG A 878 8.582 -3.128 16.246 1.00 0.00 N ATOM 0 H ARG A 878 13.023 -8.384 12.719 1.00 0.00 H new ATOM 0 HA ARG A 878 11.724 -9.471 15.089 1.00 0.00 H new ATOM 0 HB2 ARG A 878 10.928 -7.827 12.690 1.00 0.00 H new ATOM 0 HB3 ARG A 878 9.685 -8.662 13.600 1.00 0.00 H new ATOM 0 HG2 ARG A 878 10.349 -7.489 15.656 1.00 0.00 H new ATOM 0 HG3 ARG A 878 11.680 -6.717 14.818 1.00 0.00 H new ATOM 0 HD2 ARG A 878 10.143 -5.507 13.357 1.00 0.00 H new ATOM 0 HD3 ARG A 878 8.770 -6.391 13.993 1.00 0.00 H new ATOM 0 HE ARG A 878 10.199 -5.014 16.111 1.00 0.00 H new ATOM 0 HH11 ARG A 878 7.910 -4.590 13.457 1.00 0.00 H new ATOM 0 HH12 ARG A 878 7.146 -3.175 14.188 1.00 0.00 H new ATOM 0 HH21 ARG A 878 9.215 -3.193 17.043 1.00 0.00 H new ATOM 0 HH22 ARG A 878 7.882 -2.387 16.210 1.00 0.00 H new ATOM 1274 N ASP A 879 12.170 -11.519 13.043 1.00 0.00 N ATOM 1275 CA ASP A 879 11.859 -12.811 12.443 1.00 0.00 C ATOM 1276 C ASP A 879 10.995 -12.638 11.197 1.00 0.00 C ATOM 1277 O ASP A 879 10.101 -13.442 10.932 1.00 0.00 O ATOM 1278 CB ASP A 879 11.143 -13.709 13.454 1.00 0.00 C ATOM 1279 CG ASP A 879 11.894 -13.816 14.766 1.00 0.00 C ATOM 1280 OD1 ASP A 879 13.031 -14.331 14.759 1.00 0.00 O ATOM 1281 OD2 ASP A 879 11.343 -13.385 15.802 1.00 0.00 O ATOM 0 H ASP A 879 13.166 -11.341 13.168 1.00 0.00 H new ATOM 0 HA ASP A 879 12.797 -13.283 12.151 1.00 0.00 H new ATOM 0 HB2 ASP A 879 10.144 -13.316 13.642 1.00 0.00 H new ATOM 0 HB3 ASP A 879 11.019 -14.704 13.028 1.00 0.00 H new ATOM 1286 N TYR A 880 11.268 -11.583 10.437 1.00 0.00 N ATOM 1287 CA TYR A 880 10.515 -11.302 9.221 1.00 0.00 C ATOM 1288 C TYR A 880 11.406 -11.417 7.988 1.00 0.00 C ATOM 1289 O TYR A 880 10.970 -11.879 6.934 1.00 0.00 O ATOM 1290 CB TYR A 880 9.898 -9.904 9.290 1.00 0.00 C ATOM 1291 CG TYR A 880 8.730 -9.804 10.244 1.00 0.00 C ATOM 1292 CD1 TYR A 880 7.737 -10.776 10.263 1.00 0.00 C ATOM 1293 CD2 TYR A 880 8.619 -8.737 11.128 1.00 0.00 C ATOM 1294 CE1 TYR A 880 6.668 -10.688 11.133 1.00 0.00 C ATOM 1295 CE2 TYR A 880 7.554 -8.642 12.003 1.00 0.00 C ATOM 1296 CZ TYR A 880 6.581 -9.619 12.001 1.00 0.00 C ATOM 1297 OH TYR A 880 5.518 -9.528 12.871 1.00 0.00 O ATOM 0 H TYR A 880 12.005 -10.909 10.642 1.00 0.00 H new ATOM 0 HA TYR A 880 9.718 -12.041 9.140 1.00 0.00 H new ATOM 0 HB2 TYR A 880 10.666 -9.192 9.593 1.00 0.00 H new ATOM 0 HB3 TYR A 880 9.568 -9.612 8.293 1.00 0.00 H new ATOM 0 HD1 TYR A 880 7.802 -11.615 9.586 1.00 0.00 H new ATOM 0 HD2 TYR A 880 9.378 -7.969 11.131 1.00 0.00 H new ATOM 0 HE1 TYR A 880 5.904 -11.452 11.134 1.00 0.00 H new ATOM 0 HE2 TYR A 880 7.484 -7.807 12.685 1.00 0.00 H new ATOM 0 HH TYR A 880 5.608 -8.717 13.414 1.00 0.00 H new ATOM 1307 N MET A 881 12.658 -10.993 8.130 1.00 0.00 N ATOM 1308 CA MET A 881 13.613 -11.050 7.029 1.00 0.00 C ATOM 1309 C MET A 881 15.003 -11.423 7.534 1.00 0.00 C ATOM 1310 O MET A 881 15.373 -11.092 8.660 1.00 0.00 O ATOM 1311 CB MET A 881 13.666 -9.705 6.302 1.00 0.00 C ATOM 1312 CG MET A 881 12.312 -9.237 5.792 1.00 0.00 C ATOM 1313 SD MET A 881 11.643 -10.313 4.510 1.00 0.00 S ATOM 1314 CE MET A 881 12.789 -9.998 3.170 1.00 0.00 C ATOM 0 H MET A 881 13.034 -10.607 8.996 1.00 0.00 H new ATOM 0 HA MET A 881 13.281 -11.819 6.332 1.00 0.00 H new ATOM 0 HB2 MET A 881 14.071 -8.952 6.978 1.00 0.00 H new ATOM 0 HB3 MET A 881 14.355 -9.783 5.461 1.00 0.00 H new ATOM 0 HG2 MET A 881 11.610 -9.191 6.625 1.00 0.00 H new ATOM 0 HG3 MET A 881 12.406 -8.225 5.399 1.00 0.00 H new ATOM 0 HE1 MET A 881 12.486 -10.566 2.291 1.00 0.00 H new ATOM 0 HE2 MET A 881 12.788 -8.934 2.933 1.00 0.00 H new ATOM 0 HE3 MET A 881 13.792 -10.302 3.470 1.00 0.00 H new ATOM 1324 N GLU A 882 15.767 -12.114 6.694 1.00 0.00 N ATOM 1325 CA GLU A 882 17.116 -12.532 7.058 1.00 0.00 C ATOM 1326 C GLU A 882 18.149 -11.910 6.123 1.00 0.00 C ATOM 1327 O GLU A 882 17.872 -11.664 4.949 1.00 0.00 O ATOM 1328 CB GLU A 882 17.229 -14.058 7.017 1.00 0.00 C ATOM 1329 CG GLU A 882 17.129 -14.638 5.617 1.00 0.00 C ATOM 1330 CD GLU A 882 17.550 -16.094 5.557 1.00 0.00 C ATOM 1331 OE1 GLU A 882 18.623 -16.425 6.105 1.00 0.00 O ATOM 1332 OE2 GLU A 882 16.807 -16.902 4.963 1.00 0.00 O ATOM 0 H GLU A 882 15.476 -12.396 5.758 1.00 0.00 H new ATOM 0 HA GLU A 882 17.315 -12.187 8.073 1.00 0.00 H new ATOM 0 HB2 GLU A 882 18.181 -14.355 7.457 1.00 0.00 H new ATOM 0 HB3 GLU A 882 16.443 -14.489 7.637 1.00 0.00 H new ATOM 0 HG2 GLU A 882 16.103 -14.546 5.262 1.00 0.00 H new ATOM 0 HG3 GLU A 882 17.754 -14.055 4.941 1.00 0.00 H new ATOM 1339 N ARG A 883 19.342 -11.657 6.653 1.00 0.00 N ATOM 1340 CA ARG A 883 20.416 -11.061 5.867 1.00 0.00 C ATOM 1341 C ARG A 883 21.224 -12.137 5.148 1.00 0.00 C ATOM 1342 O ARG A 883 21.699 -13.089 5.768 1.00 0.00 O ATOM 1343 CB ARG A 883 21.336 -10.234 6.767 1.00 0.00 C ATOM 1344 CG ARG A 883 20.618 -9.119 7.511 1.00 0.00 C ATOM 1345 CD ARG A 883 21.574 -8.000 7.893 1.00 0.00 C ATOM 1346 NE ARG A 883 22.550 -8.430 8.891 1.00 0.00 N ATOM 1347 CZ ARG A 883 23.432 -7.614 9.457 1.00 0.00 C ATOM 1348 NH1 ARG A 883 23.460 -6.330 9.125 1.00 0.00 N ATOM 1349 NH2 ARG A 883 24.288 -8.080 10.357 1.00 0.00 N ATOM 0 H ARG A 883 19.589 -11.855 7.623 1.00 0.00 H new ATOM 0 HA ARG A 883 19.966 -10.408 5.119 1.00 0.00 H new ATOM 0 HB2 ARG A 883 21.812 -10.895 7.491 1.00 0.00 H new ATOM 0 HB3 ARG A 883 22.131 -9.801 6.160 1.00 0.00 H new ATOM 0 HG2 ARG A 883 19.819 -8.719 6.887 1.00 0.00 H new ATOM 0 HG3 ARG A 883 20.150 -9.522 8.409 1.00 0.00 H new ATOM 0 HD2 ARG A 883 22.096 -7.650 7.003 1.00 0.00 H new ATOM 0 HD3 ARG A 883 21.006 -7.155 8.282 1.00 0.00 H new ATOM 0 HE ARG A 883 22.554 -9.411 9.169 1.00 0.00 H new ATOM 0 HH11 ARG A 883 22.803 -5.968 8.434 1.00 0.00 H new ATOM 0 HH12 ARG A 883 24.138 -5.705 9.561 1.00 0.00 H new ATOM 0 HH21 ARG A 883 24.270 -9.067 10.615 1.00 0.00 H new ATOM 0 HH22 ARG A 883 24.965 -7.452 10.791 1.00 0.00 H new ATOM 1363 N ASP A 884 21.375 -11.980 3.837 1.00 0.00 N ATOM 1364 CA ASP A 884 22.125 -12.937 3.033 1.00 0.00 C ATOM 1365 C ASP A 884 23.566 -13.045 3.522 1.00 0.00 C ATOM 1366 O ASP A 884 24.313 -12.066 3.509 1.00 0.00 O ATOM 1367 CB ASP A 884 22.102 -12.526 1.560 1.00 0.00 C ATOM 1368 CG ASP A 884 22.680 -13.595 0.653 1.00 0.00 C ATOM 1369 OD1 ASP A 884 22.840 -14.744 1.115 1.00 0.00 O ATOM 1370 OD2 ASP A 884 22.970 -13.282 -0.521 1.00 0.00 O ATOM 0 H ASP A 884 20.987 -11.198 3.309 1.00 0.00 H new ATOM 0 HA ASP A 884 21.651 -13.913 3.137 1.00 0.00 H new ATOM 0 HB2 ASP A 884 21.075 -12.315 1.260 1.00 0.00 H new ATOM 0 HB3 ASP A 884 22.667 -11.602 1.434 1.00 0.00 H new ATOM 1375 N LYS A 885 23.951 -14.241 3.954 1.00 0.00 N ATOM 1376 CA LYS A 885 25.303 -14.479 4.447 1.00 0.00 C ATOM 1377 C LYS A 885 26.334 -13.784 3.563 1.00 0.00 C ATOM 1378 O LYS A 885 27.380 -13.346 4.042 1.00 0.00 O ATOM 1379 CB LYS A 885 25.591 -15.981 4.502 1.00 0.00 C ATOM 1380 CG LYS A 885 25.904 -16.590 3.146 1.00 0.00 C ATOM 1381 CD LYS A 885 27.390 -16.532 2.838 1.00 0.00 C ATOM 1382 CE LYS A 885 28.140 -17.683 3.489 1.00 0.00 C ATOM 1383 NZ LYS A 885 29.523 -17.819 2.953 1.00 0.00 N ATOM 0 H LYS A 885 23.345 -15.062 3.973 1.00 0.00 H new ATOM 0 HA LYS A 885 25.375 -14.065 5.453 1.00 0.00 H new ATOM 0 HB2 LYS A 885 26.432 -16.157 5.173 1.00 0.00 H new ATOM 0 HB3 LYS A 885 24.729 -16.492 4.930 1.00 0.00 H new ATOM 0 HG2 LYS A 885 25.568 -17.627 3.125 1.00 0.00 H new ATOM 0 HG3 LYS A 885 25.350 -16.060 2.371 1.00 0.00 H new ATOM 0 HD2 LYS A 885 27.540 -16.563 1.759 1.00 0.00 H new ATOM 0 HD3 LYS A 885 27.799 -15.585 3.190 1.00 0.00 H new ATOM 0 HE2 LYS A 885 28.182 -17.525 4.567 1.00 0.00 H new ATOM 0 HE3 LYS A 885 27.594 -18.612 3.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 885 30.001 -18.615 3.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 885 29.483 -17.995 1.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 885 30.053 -16.942 3.133 1.00 0.00 H new ATOM 1397 N GLU A 886 26.031 -13.686 2.272 1.00 0.00 N ATOM 1398 CA GLU A 886 26.933 -13.044 1.323 1.00 0.00 C ATOM 1399 C GLU A 886 27.064 -11.553 1.621 1.00 0.00 C ATOM 1400 O GLU A 886 28.170 -11.023 1.715 1.00 0.00 O ATOM 1401 CB GLU A 886 26.432 -13.248 -0.108 1.00 0.00 C ATOM 1402 CG GLU A 886 26.977 -14.502 -0.771 1.00 0.00 C ATOM 1403 CD GLU A 886 28.283 -14.255 -1.502 1.00 0.00 C ATOM 1404 OE1 GLU A 886 29.300 -13.993 -0.826 1.00 0.00 O ATOM 1405 OE2 GLU A 886 28.287 -14.323 -2.749 1.00 0.00 O ATOM 0 H GLU A 886 25.169 -14.043 1.860 1.00 0.00 H new ATOM 0 HA GLU A 886 27.916 -13.505 1.425 1.00 0.00 H new ATOM 0 HB2 GLU A 886 25.343 -13.296 -0.099 1.00 0.00 H new ATOM 0 HB3 GLU A 886 26.708 -12.381 -0.708 1.00 0.00 H new ATOM 0 HG2 GLU A 886 27.128 -15.272 -0.014 1.00 0.00 H new ATOM 0 HG3 GLU A 886 26.238 -14.887 -1.474 1.00 0.00 H new ATOM 1412 N ASN A 887 25.926 -10.883 1.767 1.00 0.00 N ATOM 1413 CA ASN A 887 25.912 -9.453 2.052 1.00 0.00 C ATOM 1414 C ASN A 887 24.627 -9.054 2.771 1.00 0.00 C ATOM 1415 O ASN A 887 23.540 -9.547 2.471 1.00 0.00 O ATOM 1416 CB ASN A 887 26.055 -8.651 0.756 1.00 0.00 C ATOM 1417 CG ASN A 887 26.758 -7.325 0.972 1.00 0.00 C ATOM 1418 OD1 ASN A 887 26.194 -6.262 0.710 1.00 0.00 O ATOM 1419 ND2 ASN A 887 27.995 -7.381 1.450 1.00 0.00 N ATOM 0 H ASN A 887 25.001 -11.307 1.693 1.00 0.00 H new ATOM 0 HA ASN A 887 26.757 -9.230 2.704 1.00 0.00 H new ATOM 0 HB2 ASN A 887 26.612 -9.240 0.027 1.00 0.00 H new ATOM 0 HB3 ASN A 887 25.067 -8.471 0.332 1.00 0.00 H new ATOM 0 HD21 ASN A 887 28.518 -6.521 1.614 1.00 0.00 H new ATOM 0 HD22 ASN A 887 28.423 -8.284 1.653 1.00 0.00 H new ATOM 1426 N PRO A 888 24.752 -8.137 3.742 1.00 0.00 N ATOM 1427 CA PRO A 888 23.611 -7.650 4.523 1.00 0.00 C ATOM 1428 C PRO A 888 22.668 -6.785 3.694 1.00 0.00 C ATOM 1429 O PRO A 888 21.555 -6.481 4.119 1.00 0.00 O ATOM 1430 CB PRO A 888 24.267 -6.819 5.628 1.00 0.00 C ATOM 1431 CG PRO A 888 25.572 -6.388 5.055 1.00 0.00 C ATOM 1432 CD PRO A 888 26.018 -7.506 4.153 1.00 0.00 C ATOM 0 HA PRO A 888 22.993 -8.467 4.895 1.00 0.00 H new ATOM 0 HB2 PRO A 888 23.650 -5.961 5.897 1.00 0.00 H new ATOM 0 HB3 PRO A 888 24.408 -7.407 6.535 1.00 0.00 H new ATOM 0 HG2 PRO A 888 25.465 -5.457 4.499 1.00 0.00 H new ATOM 0 HG3 PRO A 888 26.303 -6.207 5.843 1.00 0.00 H new ATOM 0 HD2 PRO A 888 26.578 -7.132 3.296 1.00 0.00 H new ATOM 0 HD3 PRO A 888 26.667 -8.209 4.675 1.00 0.00 H new ATOM 1440 N ASN A 889 23.123 -6.391 2.508 1.00 0.00 N ATOM 1441 CA ASN A 889 22.319 -5.560 1.619 1.00 0.00 C ATOM 1442 C ASN A 889 21.105 -6.329 1.106 1.00 0.00 C ATOM 1443 O ASN A 889 20.012 -5.775 0.990 1.00 0.00 O ATOM 1444 CB ASN A 889 23.163 -5.073 0.440 1.00 0.00 C ATOM 1445 CG ASN A 889 24.209 -4.057 0.859 1.00 0.00 C ATOM 1446 OD1 ASN A 889 24.616 -4.012 2.020 1.00 0.00 O ATOM 1447 ND2 ASN A 889 24.648 -3.236 -0.088 1.00 0.00 N ATOM 0 H ASN A 889 24.043 -6.634 2.141 1.00 0.00 H new ATOM 0 HA ASN A 889 21.968 -4.698 2.187 1.00 0.00 H new ATOM 0 HB2 ASN A 889 23.655 -5.926 -0.028 1.00 0.00 H new ATOM 0 HB3 ASN A 889 22.510 -4.630 -0.312 1.00 0.00 H new ATOM 0 HD21 ASN A 889 25.351 -2.531 0.134 1.00 0.00 H new ATOM 0 HD22 ASN A 889 24.282 -3.310 -1.037 1.00 0.00 H new ATOM 1454 N GLN A 890 21.306 -7.607 0.802 1.00 0.00 N ATOM 1455 CA GLN A 890 20.227 -8.451 0.302 1.00 0.00 C ATOM 1456 C GLN A 890 19.516 -9.163 1.448 1.00 0.00 C ATOM 1457 O GLN A 890 20.157 -9.762 2.312 1.00 0.00 O ATOM 1458 CB GLN A 890 20.774 -9.478 -0.691 1.00 0.00 C ATOM 1459 CG GLN A 890 19.776 -10.566 -1.053 1.00 0.00 C ATOM 1460 CD GLN A 890 19.986 -11.109 -2.453 1.00 0.00 C ATOM 1461 OE1 GLN A 890 20.817 -11.991 -2.671 1.00 0.00 O ATOM 1462 NE2 GLN A 890 19.231 -10.583 -3.411 1.00 0.00 N ATOM 0 H GLN A 890 22.205 -8.080 0.893 1.00 0.00 H new ATOM 0 HA GLN A 890 19.506 -7.812 -0.207 1.00 0.00 H new ATOM 0 HB2 GLN A 890 21.083 -8.963 -1.601 1.00 0.00 H new ATOM 0 HB3 GLN A 890 21.666 -9.941 -0.268 1.00 0.00 H new ATOM 0 HG2 GLN A 890 19.858 -11.382 -0.335 1.00 0.00 H new ATOM 0 HG3 GLN A 890 18.765 -10.168 -0.970 1.00 0.00 H new ATOM 0 HE21 GLN A 890 18.555 -9.854 -3.185 1.00 0.00 H new ATOM 0 HE22 GLN A 890 19.327 -10.908 -4.373 1.00 0.00 H new ATOM 1471 N TYR A 891 18.190 -9.092 1.450 1.00 0.00 N ATOM 1472 CA TYR A 891 17.392 -9.728 2.492 1.00 0.00 C ATOM 1473 C TYR A 891 16.462 -10.782 1.899 1.00 0.00 C ATOM 1474 O TYR A 891 15.952 -10.624 0.791 1.00 0.00 O ATOM 1475 CB TYR A 891 16.575 -8.679 3.248 1.00 0.00 C ATOM 1476 CG TYR A 891 17.366 -7.442 3.612 1.00 0.00 C ATOM 1477 CD1 TYR A 891 18.397 -7.501 4.540 1.00 0.00 C ATOM 1478 CD2 TYR A 891 17.081 -6.215 3.025 1.00 0.00 C ATOM 1479 CE1 TYR A 891 19.121 -6.373 4.876 1.00 0.00 C ATOM 1480 CE2 TYR A 891 17.801 -5.083 3.354 1.00 0.00 C ATOM 1481 CZ TYR A 891 18.820 -5.167 4.280 1.00 0.00 C ATOM 1482 OH TYR A 891 19.540 -4.041 4.610 1.00 0.00 O ATOM 0 H TYR A 891 17.645 -8.601 0.742 1.00 0.00 H new ATOM 0 HA TYR A 891 18.073 -10.220 3.187 1.00 0.00 H new ATOM 0 HB2 TYR A 891 15.720 -8.387 2.638 1.00 0.00 H new ATOM 0 HB3 TYR A 891 16.178 -9.127 4.159 1.00 0.00 H new ATOM 0 HD1 TYR A 891 18.637 -8.445 5.007 1.00 0.00 H new ATOM 0 HD2 TYR A 891 16.284 -6.145 2.300 1.00 0.00 H new ATOM 0 HE1 TYR A 891 19.918 -6.436 5.602 1.00 0.00 H new ATOM 0 HE2 TYR A 891 17.567 -4.137 2.889 1.00 0.00 H new ATOM 0 HH TYR A 891 19.202 -3.275 4.100 1.00 0.00 H new ATOM 1492 N ASN A 892 16.247 -11.859 2.647 1.00 0.00 N ATOM 1493 CA ASN A 892 15.378 -12.941 2.197 1.00 0.00 C ATOM 1494 C ASN A 892 14.101 -12.996 3.030 1.00 0.00 C ATOM 1495 O ASN A 892 14.039 -12.441 4.128 1.00 0.00 O ATOM 1496 CB ASN A 892 16.113 -14.281 2.281 1.00 0.00 C ATOM 1497 CG ASN A 892 17.330 -14.330 1.378 1.00 0.00 C ATOM 1498 OD1 ASN A 892 17.259 -14.811 0.247 1.00 0.00 O ATOM 1499 ND2 ASN A 892 18.456 -13.831 1.876 1.00 0.00 N ATOM 0 H ASN A 892 16.662 -12.006 3.567 1.00 0.00 H new ATOM 0 HA ASN A 892 15.106 -12.747 1.160 1.00 0.00 H new ATOM 0 HB2 ASN A 892 16.421 -14.459 3.311 1.00 0.00 H new ATOM 0 HB3 ASN A 892 15.429 -15.085 2.009 1.00 0.00 H new ATOM 0 HD21 ASN A 892 19.308 -13.837 1.315 1.00 0.00 H new ATOM 0 HD22 ASN A 892 18.468 -13.442 2.819 1.00 0.00 H new ATOM 1506 N TYR A 893 13.085 -13.668 2.501 1.00 0.00 N ATOM 1507 CA TYR A 893 11.808 -13.794 3.195 1.00 0.00 C ATOM 1508 C TYR A 893 11.791 -15.034 4.083 1.00 0.00 C ATOM 1509 O TYR A 893 12.123 -16.134 3.640 1.00 0.00 O ATOM 1510 CB TYR A 893 10.661 -13.860 2.186 1.00 0.00 C ATOM 1511 CG TYR A 893 9.291 -13.817 2.823 1.00 0.00 C ATOM 1512 CD1 TYR A 893 8.929 -12.774 3.668 1.00 0.00 C ATOM 1513 CD2 TYR A 893 8.358 -14.818 2.582 1.00 0.00 C ATOM 1514 CE1 TYR A 893 7.679 -12.731 4.254 1.00 0.00 C ATOM 1515 CE2 TYR A 893 7.105 -14.781 3.162 1.00 0.00 C ATOM 1516 CZ TYR A 893 6.770 -13.736 3.997 1.00 0.00 C ATOM 1517 OH TYR A 893 5.523 -13.697 4.578 1.00 0.00 O ATOM 0 H TYR A 893 13.120 -14.134 1.594 1.00 0.00 H new ATOM 0 HA TYR A 893 11.678 -12.915 3.827 1.00 0.00 H new ATOM 0 HB2 TYR A 893 10.754 -13.028 1.488 1.00 0.00 H new ATOM 0 HB3 TYR A 893 10.753 -14.777 1.604 1.00 0.00 H new ATOM 0 HD1 TYR A 893 9.637 -11.984 3.870 1.00 0.00 H new ATOM 0 HD2 TYR A 893 8.617 -15.639 1.930 1.00 0.00 H new ATOM 0 HE1 TYR A 893 7.415 -11.915 4.910 1.00 0.00 H new ATOM 0 HE2 TYR A 893 6.391 -15.567 2.963 1.00 0.00 H new ATOM 0 HH TYR A 893 5.417 -14.466 5.177 1.00 0.00 H new ATOM 1527 N ILE A 894 11.401 -14.848 5.340 1.00 0.00 N ATOM 1528 CA ILE A 894 11.339 -15.950 6.291 1.00 0.00 C ATOM 1529 C ILE A 894 9.926 -16.126 6.837 1.00 0.00 C ATOM 1530 O ILE A 894 9.481 -17.246 7.088 1.00 0.00 O ATOM 1531 CB ILE A 894 12.308 -15.734 7.468 1.00 0.00 C ATOM 1532 CG1 ILE A 894 12.309 -14.265 7.894 1.00 0.00 C ATOM 1533 CG2 ILE A 894 13.712 -16.182 7.087 1.00 0.00 C ATOM 1534 CD1 ILE A 894 13.318 -13.949 8.976 1.00 0.00 C ATOM 0 H ILE A 894 11.123 -13.944 5.723 1.00 0.00 H new ATOM 0 HA ILE A 894 11.632 -16.850 5.750 1.00 0.00 H new ATOM 0 HB ILE A 894 11.971 -16.337 8.312 1.00 0.00 H new ATOM 0 HG12 ILE A 894 12.516 -13.643 7.023 1.00 0.00 H new ATOM 0 HG13 ILE A 894 11.313 -13.997 8.248 1.00 0.00 H new ATOM 0 HG21 ILE A 894 14.386 -16.023 7.929 1.00 0.00 H new ATOM 0 HG22 ILE A 894 13.698 -17.241 6.828 1.00 0.00 H new ATOM 0 HG23 ILE A 894 14.059 -15.603 6.231 1.00 0.00 H new ATOM 0 HD11 ILE A 894 13.262 -12.890 9.228 1.00 0.00 H new ATOM 0 HD12 ILE A 894 13.099 -14.545 9.862 1.00 0.00 H new ATOM 0 HD13 ILE A 894 14.320 -14.185 8.619 1.00 0.00 H new ATOM 1546 N ALA A 895 9.224 -15.012 7.016 1.00 0.00 N ATOM 1547 CA ALA A 895 7.859 -15.042 7.528 1.00 0.00 C ATOM 1548 C ALA A 895 6.990 -15.998 6.718 1.00 0.00 C ATOM 1549 O ALA A 895 7.077 -16.042 5.491 1.00 0.00 O ATOM 1550 CB ALA A 895 7.260 -13.644 7.518 1.00 0.00 C ATOM 0 H ALA A 895 9.578 -14.077 6.814 1.00 0.00 H new ATOM 0 HA ALA A 895 7.891 -15.404 8.556 1.00 0.00 H new ATOM 0 HB1 ALA A 895 6.241 -13.682 7.903 1.00 0.00 H new ATOM 0 HB2 ALA A 895 7.861 -12.986 8.146 1.00 0.00 H new ATOM 0 HB3 ALA A 895 7.248 -13.260 6.498 1.00 0.00 H new