USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 594 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 848 HIS : no HE2:sc= -2.18! X(o=-2.2!,f=-1.7) USER MOD Set 1.2: A 891 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 887 ASN : amide:sc= -4.36! C(o=-5.5!,f=-18!) USER MOD Set 2.2: A 889 ASN : amide:sc= -1.12 K(o=-5.5,f=-6.9!) USER MOD Set 3.1: A 840 MET CE :methyl -114:sc= -2.77 (180deg=-4.95!) USER MOD Set 3.2: A 881 MET CE :methyl -114:sc= -1.4 (180deg=-1.91!) USER MOD Set 4.1: A 845 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 892 ASN :FLIP amide:sc= 0 F(o=-2.1,f=0) 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= -0.249 X(o=-0.25,f=-0.25) 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+ -156:sc= -0.0796 (180deg=-0.601) USER MOD Single : A 847 SER OG : rot 180:sc= 0 USER MOD Single : A 849 ASN : amide:sc= -0.105 X(o=-0.11,f=-0.11) USER MOD Single : A 853 SER OG : rot 180:sc= 0 USER MOD Single : A 856 TYR OH : rot 18:sc= 0.88 USER MOD Single : A 857 ASN : amide:sc= -0.0129 K(o=-0.013,f=-1.5!) USER MOD Single : A 858 GLN : amide:sc=-0.000331 X(o=-0.00033,f=-0.15) USER MOD Single : A 860 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 864 LYS NZ :NH3+ 166:sc= -0.0109 (180deg=-0.174) 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 890 GLN : amide:sc= -5.33! C(o=-5.3!,f=-6.8!) USER MOD Single : A 893 TYR OH : rot 180:sc= -0.0172 USER MOD ----------------------------------------------------------------- ATOM 386 N ARG A 828 3.490 6.824 11.926 1.00 0.00 N ATOM 387 CA ARG A 828 4.557 6.781 10.935 1.00 0.00 C ATOM 388 C ARG A 828 5.285 5.441 10.977 1.00 0.00 C ATOM 389 O ARG A 828 5.161 4.628 10.061 1.00 0.00 O ATOM 390 CB ARG A 828 5.550 7.921 11.173 1.00 0.00 C ATOM 391 CG ARG A 828 5.041 9.278 10.716 1.00 0.00 C ATOM 392 CD ARG A 828 6.183 10.189 10.295 1.00 0.00 C ATOM 393 NE ARG A 828 5.707 11.368 9.577 1.00 0.00 N ATOM 394 CZ ARG A 828 5.273 12.469 10.179 1.00 0.00 C ATOM 395 NH1 ARG A 828 5.255 12.543 11.502 1.00 0.00 N ATOM 396 NH2 ARG A 828 4.855 13.501 9.456 1.00 0.00 N ATOM 0 HA ARG A 828 4.107 6.900 9.949 1.00 0.00 H new ATOM 0 HB2 ARG A 828 5.786 7.970 12.236 1.00 0.00 H new ATOM 0 HB3 ARG A 828 6.480 7.696 10.650 1.00 0.00 H new ATOM 0 HG2 ARG A 828 4.352 9.147 9.881 1.00 0.00 H new ATOM 0 HG3 ARG A 828 4.478 9.747 11.523 1.00 0.00 H new ATOM 0 HD2 ARG A 828 6.740 10.503 11.178 1.00 0.00 H new ATOM 0 HD3 ARG A 828 6.875 9.634 9.662 1.00 0.00 H new ATOM 0 HE ARG A 828 5.708 11.344 8.557 1.00 0.00 H new ATOM 0 HH11 ARG A 828 5.575 11.752 12.061 1.00 0.00 H new ATOM 0 HH12 ARG A 828 4.921 13.390 11.961 1.00 0.00 H new ATOM 0 HH21 ARG A 828 4.867 13.448 8.437 1.00 0.00 H new ATOM 0 HH22 ARG A 828 4.522 14.346 9.919 1.00 0.00 H new ATOM 410 N GLN A 829 6.044 5.219 12.045 1.00 0.00 N ATOM 411 CA GLN A 829 6.793 3.978 12.205 1.00 0.00 C ATOM 412 C GLN A 829 5.988 2.787 11.694 1.00 0.00 C ATOM 413 O GLN A 829 6.553 1.804 11.214 1.00 0.00 O ATOM 414 CB GLN A 829 7.161 3.766 13.675 1.00 0.00 C ATOM 415 CG GLN A 829 5.982 3.365 14.546 1.00 0.00 C ATOM 416 CD GLN A 829 6.404 2.584 15.775 1.00 0.00 C ATOM 417 OE1 GLN A 829 6.562 3.148 16.859 1.00 0.00 O ATOM 418 NE2 GLN A 829 6.588 1.279 15.614 1.00 0.00 N ATOM 0 H GLN A 829 6.157 5.882 12.812 1.00 0.00 H new ATOM 0 HA GLN A 829 7.707 4.056 11.616 1.00 0.00 H new ATOM 0 HB2 GLN A 829 7.929 2.996 13.741 1.00 0.00 H new ATOM 0 HB3 GLN A 829 7.596 4.685 14.068 1.00 0.00 H new ATOM 0 HG2 GLN A 829 5.443 4.260 14.856 1.00 0.00 H new ATOM 0 HG3 GLN A 829 5.289 2.763 13.958 1.00 0.00 H new ATOM 0 HE21 GLN A 829 6.446 0.853 14.698 1.00 0.00 H new ATOM 0 HE22 GLN A 829 6.871 0.702 16.406 1.00 0.00 H new ATOM 427 N TYR A 830 4.668 2.882 11.801 1.00 0.00 N ATOM 428 CA TYR A 830 3.786 1.812 11.351 1.00 0.00 C ATOM 429 C TYR A 830 3.627 1.837 9.834 1.00 0.00 C ATOM 430 O TYR A 830 3.651 0.794 9.180 1.00 0.00 O ATOM 431 CB TYR A 830 2.416 1.937 12.020 1.00 0.00 C ATOM 432 CG TYR A 830 2.382 1.403 13.435 1.00 0.00 C ATOM 433 CD1 TYR A 830 2.409 0.036 13.683 1.00 0.00 C ATOM 434 CD2 TYR A 830 2.321 2.265 14.522 1.00 0.00 C ATOM 435 CE1 TYR A 830 2.377 -0.456 14.974 1.00 0.00 C ATOM 436 CE2 TYR A 830 2.291 1.782 15.816 1.00 0.00 C ATOM 437 CZ TYR A 830 2.319 0.421 16.037 1.00 0.00 C ATOM 438 OH TYR A 830 2.287 -0.065 17.324 1.00 0.00 O ATOM 0 H TYR A 830 4.185 3.689 12.195 1.00 0.00 H new ATOM 0 HA TYR A 830 4.237 0.861 11.635 1.00 0.00 H new ATOM 0 HB2 TYR A 830 2.120 2.986 12.029 1.00 0.00 H new ATOM 0 HB3 TYR A 830 1.678 1.403 11.421 1.00 0.00 H new ATOM 0 HD1 TYR A 830 2.456 -0.653 12.853 1.00 0.00 H new ATOM 0 HD2 TYR A 830 2.297 3.331 14.353 1.00 0.00 H new ATOM 0 HE1 TYR A 830 2.397 -1.521 15.150 1.00 0.00 H new ATOM 0 HE2 TYR A 830 2.246 2.467 16.650 1.00 0.00 H new ATOM 0 HH TYR A 830 2.248 0.683 17.955 1.00 0.00 H new ATOM 448 N GLN A 831 3.467 3.035 9.282 1.00 0.00 N ATOM 449 CA GLN A 831 3.305 3.197 7.842 1.00 0.00 C ATOM 450 C GLN A 831 4.469 2.562 7.089 1.00 0.00 C ATOM 451 O GLN A 831 4.272 1.881 6.082 1.00 0.00 O ATOM 452 CB GLN A 831 3.197 4.680 7.483 1.00 0.00 C ATOM 453 CG GLN A 831 1.820 5.270 7.743 1.00 0.00 C ATOM 454 CD GLN A 831 0.746 4.651 6.872 1.00 0.00 C ATOM 455 OE1 GLN A 831 -0.104 3.900 7.352 1.00 0.00 O ATOM 456 NE2 GLN A 831 0.777 4.964 5.582 1.00 0.00 N ATOM 0 H GLN A 831 3.446 3.908 9.810 1.00 0.00 H new ATOM 0 HA GLN A 831 2.386 2.692 7.546 1.00 0.00 H new ATOM 0 HB2 GLN A 831 3.937 5.239 8.056 1.00 0.00 H new ATOM 0 HB3 GLN A 831 3.446 4.809 6.430 1.00 0.00 H new ATOM 0 HG2 GLN A 831 1.559 5.126 8.792 1.00 0.00 H new ATOM 0 HG3 GLN A 831 1.850 6.345 7.567 1.00 0.00 H new ATOM 0 HE21 GLN A 831 1.499 5.590 5.226 1.00 0.00 H new ATOM 0 HE22 GLN A 831 0.079 4.578 4.947 1.00 0.00 H new ATOM 465 N ILE A 832 5.682 2.792 7.582 1.00 0.00 N ATOM 466 CA ILE A 832 6.877 2.242 6.955 1.00 0.00 C ATOM 467 C ILE A 832 6.990 0.742 7.206 1.00 0.00 C ATOM 468 O ILE A 832 7.088 -0.049 6.268 1.00 0.00 O ATOM 469 CB ILE A 832 8.153 2.935 7.470 1.00 0.00 C ATOM 470 CG1 ILE A 832 8.138 4.419 7.101 1.00 0.00 C ATOM 471 CG2 ILE A 832 9.390 2.255 6.904 1.00 0.00 C ATOM 472 CD1 ILE A 832 7.258 5.257 8.002 1.00 0.00 C ATOM 0 H ILE A 832 5.862 3.355 8.413 1.00 0.00 H new ATOM 0 HA ILE A 832 6.782 2.422 5.884 1.00 0.00 H new ATOM 0 HB ILE A 832 8.181 2.851 8.556 1.00 0.00 H new ATOM 0 HG12 ILE A 832 9.157 4.805 7.140 1.00 0.00 H new ATOM 0 HG13 ILE A 832 7.796 4.526 6.071 1.00 0.00 H new ATOM 0 HG21 ILE A 832 10.283 2.756 7.277 1.00 0.00 H new ATOM 0 HG22 ILE A 832 9.404 1.210 7.213 1.00 0.00 H new ATOM 0 HG23 ILE A 832 9.370 2.311 5.816 1.00 0.00 H new ATOM 0 HD11 ILE A 832 7.296 6.298 7.682 1.00 0.00 H new ATOM 0 HD12 ILE A 832 6.231 4.897 7.945 1.00 0.00 H new ATOM 0 HD13 ILE A 832 7.612 5.181 9.030 1.00 0.00 H new ATOM 484 N ASP A 833 6.972 0.358 8.478 1.00 0.00 N ATOM 485 CA ASP A 833 7.069 -1.047 8.853 1.00 0.00 C ATOM 486 C ASP A 833 6.041 -1.884 8.097 1.00 0.00 C ATOM 487 O ASP A 833 6.341 -2.984 7.635 1.00 0.00 O ATOM 488 CB ASP A 833 6.867 -1.209 10.361 1.00 0.00 C ATOM 489 CG ASP A 833 6.911 -2.660 10.798 1.00 0.00 C ATOM 490 OD1 ASP A 833 6.251 -3.496 10.147 1.00 0.00 O ATOM 491 OD2 ASP A 833 7.606 -2.960 11.792 1.00 0.00 O ATOM 0 H ASP A 833 6.891 1.000 9.266 1.00 0.00 H new ATOM 0 HA ASP A 833 8.065 -1.401 8.587 1.00 0.00 H new ATOM 0 HB2 ASP A 833 7.638 -0.650 10.890 1.00 0.00 H new ATOM 0 HB3 ASP A 833 5.908 -0.776 10.645 1.00 0.00 H new ATOM 496 N ALA A 834 4.828 -1.355 7.977 1.00 0.00 N ATOM 497 CA ALA A 834 3.756 -2.052 7.277 1.00 0.00 C ATOM 498 C ALA A 834 4.057 -2.165 5.786 1.00 0.00 C ATOM 499 O ALA A 834 3.993 -3.251 5.211 1.00 0.00 O ATOM 500 CB ALA A 834 2.431 -1.339 7.498 1.00 0.00 C ATOM 0 H ALA A 834 4.563 -0.446 8.356 1.00 0.00 H new ATOM 0 HA ALA A 834 3.685 -3.061 7.684 1.00 0.00 H new ATOM 0 HB1 ALA A 834 1.639 -1.870 6.970 1.00 0.00 H new ATOM 0 HB2 ALA A 834 2.204 -1.316 8.564 1.00 0.00 H new ATOM 0 HB3 ALA A 834 2.499 -0.319 7.119 1.00 0.00 H new ATOM 506 N ALA A 835 4.385 -1.036 5.167 1.00 0.00 N ATOM 507 CA ALA A 835 4.697 -1.009 3.743 1.00 0.00 C ATOM 508 C ALA A 835 5.783 -2.023 3.400 1.00 0.00 C ATOM 509 O ALA A 835 5.681 -2.744 2.407 1.00 0.00 O ATOM 510 CB ALA A 835 5.126 0.389 3.323 1.00 0.00 C ATOM 0 H ALA A 835 4.442 -0.128 5.629 1.00 0.00 H new ATOM 0 HA ALA A 835 3.796 -1.281 3.194 1.00 0.00 H new ATOM 0 HB1 ALA A 835 5.356 0.394 2.258 1.00 0.00 H new ATOM 0 HB2 ALA A 835 4.318 1.093 3.524 1.00 0.00 H new ATOM 0 HB3 ALA A 835 6.012 0.683 3.887 1.00 0.00 H new ATOM 516 N ILE A 836 6.823 -2.072 4.226 1.00 0.00 N ATOM 517 CA ILE A 836 7.927 -2.998 4.009 1.00 0.00 C ATOM 518 C ILE A 836 7.457 -4.446 4.102 1.00 0.00 C ATOM 519 O ILE A 836 7.421 -5.164 3.103 1.00 0.00 O ATOM 520 CB ILE A 836 9.060 -2.771 5.027 1.00 0.00 C ATOM 521 CG1 ILE A 836 9.607 -1.347 4.906 1.00 0.00 C ATOM 522 CG2 ILE A 836 10.171 -3.790 4.820 1.00 0.00 C ATOM 523 CD1 ILE A 836 10.355 -0.881 6.135 1.00 0.00 C ATOM 0 H ILE A 836 6.924 -1.481 5.051 1.00 0.00 H new ATOM 0 HA ILE A 836 8.307 -2.806 3.006 1.00 0.00 H new ATOM 0 HB ILE A 836 8.657 -2.901 6.031 1.00 0.00 H new ATOM 0 HG12 ILE A 836 10.272 -1.294 4.044 1.00 0.00 H new ATOM 0 HG13 ILE A 836 8.780 -0.664 4.713 1.00 0.00 H new ATOM 0 HG21 ILE A 836 10.964 -3.616 5.547 1.00 0.00 H new ATOM 0 HG22 ILE A 836 9.772 -4.796 4.952 1.00 0.00 H new ATOM 0 HG23 ILE A 836 10.574 -3.689 3.812 1.00 0.00 H new ATOM 0 HD11 ILE A 836 10.714 0.136 5.978 1.00 0.00 H new ATOM 0 HD12 ILE A 836 9.688 -0.902 6.997 1.00 0.00 H new ATOM 0 HD13 ILE A 836 11.203 -1.541 6.317 1.00 0.00 H new ATOM 535 N VAL A 837 7.096 -4.868 5.310 1.00 0.00 N ATOM 536 CA VAL A 837 6.625 -6.230 5.534 1.00 0.00 C ATOM 537 C VAL A 837 5.768 -6.713 4.370 1.00 0.00 C ATOM 538 O VAL A 837 5.935 -7.833 3.885 1.00 0.00 O ATOM 539 CB VAL A 837 5.809 -6.334 6.836 1.00 0.00 C ATOM 540 CG1 VAL A 837 5.348 -7.766 7.064 1.00 0.00 C ATOM 541 CG2 VAL A 837 6.626 -5.833 8.018 1.00 0.00 C ATOM 0 H VAL A 837 7.121 -4.287 6.148 1.00 0.00 H new ATOM 0 HA VAL A 837 7.509 -6.862 5.617 1.00 0.00 H new ATOM 0 HB VAL A 837 4.925 -5.704 6.742 1.00 0.00 H new ATOM 0 HG11 VAL A 837 4.773 -7.820 7.988 1.00 0.00 H new ATOM 0 HG12 VAL A 837 4.724 -8.085 6.229 1.00 0.00 H new ATOM 0 HG13 VAL A 837 6.217 -8.420 7.138 1.00 0.00 H new ATOM 0 HG21 VAL A 837 6.034 -5.914 8.930 1.00 0.00 H new ATOM 0 HG22 VAL A 837 7.529 -6.435 8.117 1.00 0.00 H new ATOM 0 HG23 VAL A 837 6.901 -4.791 7.855 1.00 0.00 H new ATOM 551 N ARG A 838 4.849 -5.862 3.925 1.00 0.00 N ATOM 552 CA ARG A 838 3.964 -6.203 2.818 1.00 0.00 C ATOM 553 C ARG A 838 4.765 -6.502 1.554 1.00 0.00 C ATOM 554 O ARG A 838 4.534 -7.509 0.884 1.00 0.00 O ATOM 555 CB ARG A 838 2.981 -5.061 2.553 1.00 0.00 C ATOM 556 CG ARG A 838 1.856 -4.978 3.572 1.00 0.00 C ATOM 557 CD ARG A 838 0.751 -4.043 3.106 1.00 0.00 C ATOM 558 NE ARG A 838 -0.315 -3.919 4.097 1.00 0.00 N ATOM 559 CZ ARG A 838 -1.557 -3.553 3.799 1.00 0.00 C ATOM 560 NH1 ARG A 838 -1.887 -3.277 2.545 1.00 0.00 N ATOM 561 NH2 ARG A 838 -2.471 -3.463 4.757 1.00 0.00 N ATOM 0 H ARG A 838 4.698 -4.931 4.314 1.00 0.00 H new ATOM 0 HA ARG A 838 3.406 -7.098 3.094 1.00 0.00 H new ATOM 0 HB2 ARG A 838 3.526 -4.117 2.548 1.00 0.00 H new ATOM 0 HB3 ARG A 838 2.551 -5.186 1.559 1.00 0.00 H new ATOM 0 HG2 ARG A 838 1.444 -5.973 3.743 1.00 0.00 H new ATOM 0 HG3 ARG A 838 2.252 -4.628 4.525 1.00 0.00 H new ATOM 0 HD2 ARG A 838 1.172 -3.059 2.901 1.00 0.00 H new ATOM 0 HD3 ARG A 838 0.334 -4.413 2.169 1.00 0.00 H new ATOM 0 HE ARG A 838 -0.094 -4.125 5.071 1.00 0.00 H new ATOM 0 HH11 ARG A 838 -1.187 -3.345 1.806 1.00 0.00 H new ATOM 0 HH12 ARG A 838 -2.841 -2.996 2.319 1.00 0.00 H new ATOM 0 HH21 ARG A 838 -2.220 -3.675 5.723 1.00 0.00 H new ATOM 0 HH22 ARG A 838 -3.424 -3.182 4.528 1.00 0.00 H new ATOM 575 N ILE A 839 5.707 -5.620 1.234 1.00 0.00 N ATOM 576 CA ILE A 839 6.542 -5.790 0.051 1.00 0.00 C ATOM 577 C ILE A 839 7.384 -7.057 0.151 1.00 0.00 C ATOM 578 O ILE A 839 7.417 -7.867 -0.775 1.00 0.00 O ATOM 579 CB ILE A 839 7.474 -4.583 -0.158 1.00 0.00 C ATOM 580 CG1 ILE A 839 6.656 -3.298 -0.307 1.00 0.00 C ATOM 581 CG2 ILE A 839 8.356 -4.800 -1.378 1.00 0.00 C ATOM 582 CD1 ILE A 839 7.392 -2.057 0.145 1.00 0.00 C ATOM 0 H ILE A 839 5.911 -4.781 1.777 1.00 0.00 H new ATOM 0 HA ILE A 839 5.868 -5.870 -0.802 1.00 0.00 H new ATOM 0 HB ILE A 839 8.116 -4.483 0.717 1.00 0.00 H new ATOM 0 HG12 ILE A 839 6.368 -3.179 -1.352 1.00 0.00 H new ATOM 0 HG13 ILE A 839 5.735 -3.394 0.269 1.00 0.00 H new ATOM 0 HG21 ILE A 839 9.009 -3.938 -1.513 1.00 0.00 H new ATOM 0 HG22 ILE A 839 8.961 -5.695 -1.235 1.00 0.00 H new ATOM 0 HG23 ILE A 839 7.730 -4.923 -2.262 1.00 0.00 H new ATOM 0 HD11 ILE A 839 6.752 -1.185 0.011 1.00 0.00 H new ATOM 0 HD12 ILE A 839 7.657 -2.154 1.198 1.00 0.00 H new ATOM 0 HD13 ILE A 839 8.299 -1.936 -0.447 1.00 0.00 H new ATOM 594 N MET A 840 8.062 -7.223 1.281 1.00 0.00 N ATOM 595 CA MET A 840 8.903 -8.394 1.503 1.00 0.00 C ATOM 596 C MET A 840 8.159 -9.675 1.137 1.00 0.00 C ATOM 597 O MET A 840 8.651 -10.489 0.356 1.00 0.00 O ATOM 598 CB MET A 840 9.356 -8.454 2.963 1.00 0.00 C ATOM 599 CG MET A 840 9.976 -7.158 3.460 1.00 0.00 C ATOM 600 SD MET A 840 11.388 -6.638 2.467 1.00 0.00 S ATOM 601 CE MET A 840 12.593 -6.292 3.746 1.00 0.00 C ATOM 0 H MET A 840 8.046 -6.562 2.058 1.00 0.00 H new ATOM 0 HA MET A 840 9.780 -8.307 0.861 1.00 0.00 H new ATOM 0 HB2 MET A 840 8.500 -8.702 3.591 1.00 0.00 H new ATOM 0 HB3 MET A 840 10.080 -9.261 3.078 1.00 0.00 H new ATOM 0 HG2 MET A 840 9.221 -6.372 3.451 1.00 0.00 H new ATOM 0 HG3 MET A 840 10.292 -7.285 4.496 1.00 0.00 H new ATOM 0 HE1 MET A 840 12.818 -5.226 3.755 1.00 0.00 H new ATOM 0 HE2 MET A 840 12.190 -6.586 4.715 1.00 0.00 H new ATOM 0 HE3 MET A 840 13.506 -6.854 3.548 1.00 0.00 H new ATOM 611 N LYS A 841 6.970 -9.846 1.706 1.00 0.00 N ATOM 612 CA LYS A 841 6.157 -11.027 1.439 1.00 0.00 C ATOM 613 C LYS A 841 6.050 -11.287 -0.060 1.00 0.00 C ATOM 614 O LYS A 841 6.312 -12.394 -0.528 1.00 0.00 O ATOM 615 CB LYS A 841 4.760 -10.855 2.039 1.00 0.00 C ATOM 616 CG LYS A 841 3.998 -12.160 2.189 1.00 0.00 C ATOM 617 CD LYS A 841 3.302 -12.551 0.896 1.00 0.00 C ATOM 618 CE LYS A 841 2.071 -11.693 0.643 1.00 0.00 C ATOM 619 NZ LYS A 841 0.847 -12.288 1.246 1.00 0.00 N ATOM 0 H LYS A 841 6.548 -9.182 2.355 1.00 0.00 H new ATOM 0 HA LYS A 841 6.643 -11.885 1.904 1.00 0.00 H new ATOM 0 HB2 LYS A 841 4.849 -10.382 3.017 1.00 0.00 H new ATOM 0 HB3 LYS A 841 4.184 -10.178 1.409 1.00 0.00 H new ATOM 0 HG2 LYS A 841 4.685 -12.952 2.487 1.00 0.00 H new ATOM 0 HG3 LYS A 841 3.260 -12.062 2.985 1.00 0.00 H new ATOM 0 HD2 LYS A 841 3.996 -12.447 0.062 1.00 0.00 H new ATOM 0 HD3 LYS A 841 3.012 -13.601 0.941 1.00 0.00 H new ATOM 0 HE2 LYS A 841 2.232 -10.697 1.055 1.00 0.00 H new ATOM 0 HE3 LYS A 841 1.926 -11.574 -0.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 0.031 -11.674 1.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 0.679 -13.228 0.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 0.975 -12.378 2.274 1.00 0.00 H new ATOM 633 N MET A 842 5.665 -10.258 -0.808 1.00 0.00 N ATOM 634 CA MET A 842 5.527 -10.375 -2.255 1.00 0.00 C ATOM 635 C MET A 842 6.866 -10.709 -2.904 1.00 0.00 C ATOM 636 O MET A 842 6.955 -11.613 -3.736 1.00 0.00 O ATOM 637 CB MET A 842 4.973 -9.075 -2.842 1.00 0.00 C ATOM 638 CG MET A 842 3.489 -8.875 -2.582 1.00 0.00 C ATOM 639 SD MET A 842 2.800 -7.493 -3.514 1.00 0.00 S ATOM 640 CE MET A 842 1.135 -7.438 -2.856 1.00 0.00 C ATOM 0 H MET A 842 5.443 -9.334 -0.436 1.00 0.00 H new ATOM 0 HA MET A 842 4.830 -11.186 -2.464 1.00 0.00 H new ATOM 0 HB2 MET A 842 5.524 -8.233 -2.423 1.00 0.00 H new ATOM 0 HB3 MET A 842 5.149 -9.067 -3.918 1.00 0.00 H new ATOM 0 HG2 MET A 842 2.952 -9.787 -2.843 1.00 0.00 H new ATOM 0 HG3 MET A 842 3.330 -8.705 -1.517 1.00 0.00 H new ATOM 0 HE1 MET A 842 0.581 -6.631 -3.336 1.00 0.00 H new ATOM 0 HE2 MET A 842 0.635 -8.387 -3.050 1.00 0.00 H new ATOM 0 HE3 MET A 842 1.174 -7.262 -1.781 1.00 0.00 H new ATOM 650 N ARG A 843 7.905 -9.976 -2.518 1.00 0.00 N ATOM 651 CA ARG A 843 9.239 -10.194 -3.064 1.00 0.00 C ATOM 652 C ARG A 843 10.104 -10.985 -2.087 1.00 0.00 C ATOM 653 O ARG A 843 10.849 -10.409 -1.294 1.00 0.00 O ATOM 654 CB ARG A 843 9.907 -8.856 -3.386 1.00 0.00 C ATOM 655 CG ARG A 843 9.058 -7.944 -4.256 1.00 0.00 C ATOM 656 CD ARG A 843 9.026 -8.422 -5.699 1.00 0.00 C ATOM 657 NE ARG A 843 10.271 -8.125 -6.401 1.00 0.00 N ATOM 658 CZ ARG A 843 10.362 -8.019 -7.722 1.00 0.00 C ATOM 659 NH1 ARG A 843 9.287 -8.184 -8.480 1.00 0.00 N ATOM 660 NH2 ARG A 843 11.531 -7.746 -8.288 1.00 0.00 N ATOM 0 H ARG A 843 7.849 -9.226 -1.829 1.00 0.00 H new ATOM 0 HA ARG A 843 9.138 -10.772 -3.983 1.00 0.00 H new ATOM 0 HB2 ARG A 843 10.139 -8.342 -2.453 1.00 0.00 H new ATOM 0 HB3 ARG A 843 10.855 -9.045 -3.890 1.00 0.00 H new ATOM 0 HG2 ARG A 843 8.043 -7.905 -3.862 1.00 0.00 H new ATOM 0 HG3 ARG A 843 9.454 -6.929 -4.216 1.00 0.00 H new ATOM 0 HD2 ARG A 843 8.845 -9.497 -5.721 1.00 0.00 H new ATOM 0 HD3 ARG A 843 8.194 -7.948 -6.220 1.00 0.00 H new ATOM 0 HE ARG A 843 11.117 -7.992 -5.847 1.00 0.00 H new ATOM 0 HH11 ARG A 843 8.386 -8.393 -8.049 1.00 0.00 H new ATOM 0 HH12 ARG A 843 9.360 -8.102 -9.494 1.00 0.00 H new ATOM 0 HH21 ARG A 843 12.361 -7.617 -7.709 1.00 0.00 H new ATOM 0 HH22 ARG A 843 11.600 -7.665 -9.302 1.00 0.00 H new ATOM 674 N LYS A 844 9.999 -12.308 -2.149 1.00 0.00 N ATOM 675 CA LYS A 844 10.770 -13.179 -1.270 1.00 0.00 C ATOM 676 C LYS A 844 12.144 -12.582 -0.981 1.00 0.00 C ATOM 677 O LYS A 844 12.459 -12.246 0.161 1.00 0.00 O ATOM 678 CB LYS A 844 10.928 -14.564 -1.902 1.00 0.00 C ATOM 679 CG LYS A 844 9.816 -15.531 -1.533 1.00 0.00 C ATOM 680 CD LYS A 844 8.487 -15.109 -2.137 1.00 0.00 C ATOM 681 CE LYS A 844 7.485 -16.253 -2.134 1.00 0.00 C ATOM 682 NZ LYS A 844 7.928 -17.381 -3.000 1.00 0.00 N ATOM 0 H LYS A 844 9.387 -12.801 -2.799 1.00 0.00 H new ATOM 0 HA LYS A 844 10.229 -13.274 -0.329 1.00 0.00 H new ATOM 0 HB2 LYS A 844 10.961 -14.458 -2.986 1.00 0.00 H new ATOM 0 HB3 LYS A 844 11.884 -14.988 -1.594 1.00 0.00 H new ATOM 0 HG2 LYS A 844 10.073 -16.532 -1.880 1.00 0.00 H new ATOM 0 HG3 LYS A 844 9.723 -15.584 -0.448 1.00 0.00 H new ATOM 0 HD2 LYS A 844 8.082 -14.267 -1.575 1.00 0.00 H new ATOM 0 HD3 LYS A 844 8.644 -14.764 -3.159 1.00 0.00 H new ATOM 0 HE2 LYS A 844 7.346 -16.611 -1.114 1.00 0.00 H new ATOM 0 HE3 LYS A 844 6.517 -15.889 -2.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 844 7.100 -17.933 -3.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 844 8.417 -17.005 -3.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 844 8.577 -17.994 -2.467 1.00 0.00 H new ATOM 696 N THR A 845 12.958 -12.450 -2.024 1.00 0.00 N ATOM 697 CA THR A 845 14.297 -11.892 -1.881 1.00 0.00 C ATOM 698 C THR A 845 14.426 -10.573 -2.634 1.00 0.00 C ATOM 699 O THR A 845 14.257 -10.523 -3.853 1.00 0.00 O ATOM 700 CB THR A 845 15.371 -12.870 -2.395 1.00 0.00 C ATOM 701 OG1 THR A 845 15.222 -14.142 -1.754 1.00 0.00 O ATOM 702 CG2 THR A 845 16.767 -12.326 -2.136 1.00 0.00 C ATOM 0 H THR A 845 12.713 -12.722 -2.976 1.00 0.00 H new ATOM 0 HA THR A 845 14.454 -11.717 -0.817 1.00 0.00 H new ATOM 0 HB THR A 845 15.239 -12.988 -3.470 1.00 0.00 H new ATOM 0 HG1 THR A 845 15.907 -14.758 -2.087 1.00 0.00 H new ATOM 0 HG21 THR A 845 17.508 -13.034 -2.507 1.00 0.00 H new ATOM 0 HG22 THR A 845 16.887 -11.372 -2.650 1.00 0.00 H new ATOM 0 HG23 THR A 845 16.908 -12.182 -1.065 1.00 0.00 H new ATOM 710 N LEU A 846 14.728 -9.507 -1.902 1.00 0.00 N ATOM 711 CA LEU A 846 14.881 -8.185 -2.501 1.00 0.00 C ATOM 712 C LEU A 846 16.087 -7.458 -1.915 1.00 0.00 C ATOM 713 O LEU A 846 16.497 -7.724 -0.785 1.00 0.00 O ATOM 714 CB LEU A 846 13.615 -7.355 -2.282 1.00 0.00 C ATOM 715 CG LEU A 846 13.445 -6.138 -3.192 1.00 0.00 C ATOM 716 CD1 LEU A 846 12.863 -6.553 -4.535 1.00 0.00 C ATOM 717 CD2 LEU A 846 12.563 -5.093 -2.526 1.00 0.00 C ATOM 0 H LEU A 846 14.872 -9.532 -0.893 1.00 0.00 H new ATOM 0 HA LEU A 846 15.043 -8.314 -3.571 1.00 0.00 H new ATOM 0 HB2 LEU A 846 12.751 -8.006 -2.414 1.00 0.00 H new ATOM 0 HB3 LEU A 846 13.603 -7.014 -1.247 1.00 0.00 H new ATOM 0 HG LEU A 846 14.427 -5.698 -3.365 1.00 0.00 H new ATOM 0 HD11 LEU A 846 12.749 -5.674 -5.169 1.00 0.00 H new ATOM 0 HD12 LEU A 846 13.533 -7.264 -5.018 1.00 0.00 H new ATOM 0 HD13 LEU A 846 11.889 -7.018 -4.381 1.00 0.00 H new ATOM 0 HD21 LEU A 846 12.453 -4.234 -3.188 1.00 0.00 H new ATOM 0 HD22 LEU A 846 11.582 -5.522 -2.322 1.00 0.00 H new ATOM 0 HD23 LEU A 846 13.021 -4.773 -1.590 1.00 0.00 H new ATOM 729 N SER A 847 16.651 -6.537 -2.690 1.00 0.00 N ATOM 730 CA SER A 847 17.811 -5.772 -2.249 1.00 0.00 C ATOM 731 C SER A 847 17.381 -4.469 -1.582 1.00 0.00 C ATOM 732 O SER A 847 16.278 -3.974 -1.815 1.00 0.00 O ATOM 733 CB SER A 847 18.731 -5.472 -3.434 1.00 0.00 C ATOM 734 OG SER A 847 19.532 -6.597 -3.755 1.00 0.00 O ATOM 0 H SER A 847 16.323 -6.303 -3.627 1.00 0.00 H new ATOM 0 HA SER A 847 18.354 -6.372 -1.519 1.00 0.00 H new ATOM 0 HB2 SER A 847 18.133 -5.188 -4.300 1.00 0.00 H new ATOM 0 HB3 SER A 847 19.371 -4.622 -3.196 1.00 0.00 H new ATOM 0 HG SER A 847 20.110 -6.381 -4.516 1.00 0.00 H new ATOM 740 N HIS A 848 18.260 -3.919 -0.751 1.00 0.00 N ATOM 741 CA HIS A 848 17.973 -2.673 -0.050 1.00 0.00 C ATOM 742 C HIS A 848 17.419 -1.624 -1.010 1.00 0.00 C ATOM 743 O HIS A 848 16.298 -1.145 -0.841 1.00 0.00 O ATOM 744 CB HIS A 848 19.236 -2.142 0.629 1.00 0.00 C ATOM 745 CG HIS A 848 19.068 -0.779 1.226 1.00 0.00 C ATOM 746 ND1 HIS A 848 19.146 -0.535 2.581 1.00 0.00 N ATOM 747 CD2 HIS A 848 18.826 0.419 0.643 1.00 0.00 C ATOM 748 CE1 HIS A 848 18.958 0.753 2.806 1.00 0.00 C ATOM 749 NE2 HIS A 848 18.762 1.354 1.646 1.00 0.00 N ATOM 0 H HIS A 848 19.177 -4.316 -0.547 1.00 0.00 H new ATOM 0 HA HIS A 848 17.220 -2.879 0.710 1.00 0.00 H new ATOM 0 HB2 HIS A 848 19.537 -2.838 1.412 1.00 0.00 H new ATOM 0 HB3 HIS A 848 20.046 -2.113 -0.100 1.00 0.00 H new ATOM 0 HD1 HIS A 848 19.321 -1.239 3.298 1.00 0.00 H new ATOM 0 HD2 HIS A 848 18.706 0.604 -0.414 1.00 0.00 H new ATOM 0 HE1 HIS A 848 18.964 1.233 3.773 1.00 0.00 H new ATOM 757 N ASN A 849 18.212 -1.272 -2.016 1.00 0.00 N ATOM 758 CA ASN A 849 17.801 -0.280 -3.002 1.00 0.00 C ATOM 759 C ASN A 849 16.365 -0.525 -3.456 1.00 0.00 C ATOM 760 O ASN A 849 15.525 0.374 -3.410 1.00 0.00 O ATOM 761 CB ASN A 849 18.741 -0.309 -4.209 1.00 0.00 C ATOM 762 CG ASN A 849 20.191 -0.096 -3.819 1.00 0.00 C ATOM 763 OD1 ASN A 849 20.522 0.863 -3.121 1.00 0.00 O ATOM 764 ND2 ASN A 849 21.062 -0.991 -4.268 1.00 0.00 N ATOM 0 H ASN A 849 19.143 -1.659 -2.170 1.00 0.00 H new ATOM 0 HA ASN A 849 17.852 0.703 -2.533 1.00 0.00 H new ATOM 0 HB2 ASN A 849 18.642 -1.267 -4.720 1.00 0.00 H new ATOM 0 HB3 ASN A 849 18.441 0.463 -4.918 1.00 0.00 H new ATOM 0 HD21 ASN A 849 22.051 -0.900 -4.037 1.00 0.00 H new ATOM 0 HD22 ASN A 849 20.742 -1.770 -4.844 1.00 0.00 H new ATOM 771 N LEU A 850 16.090 -1.749 -3.893 1.00 0.00 N ATOM 772 CA LEU A 850 14.755 -2.115 -4.354 1.00 0.00 C ATOM 773 C LEU A 850 13.739 -2.005 -3.222 1.00 0.00 C ATOM 774 O LEU A 850 12.580 -1.652 -3.446 1.00 0.00 O ATOM 775 CB LEU A 850 14.760 -3.538 -4.914 1.00 0.00 C ATOM 776 CG LEU A 850 15.080 -3.673 -6.403 1.00 0.00 C ATOM 777 CD1 LEU A 850 14.141 -2.810 -7.231 1.00 0.00 C ATOM 778 CD2 LEU A 850 16.530 -3.297 -6.672 1.00 0.00 C ATOM 0 H LEU A 850 16.773 -2.505 -3.938 1.00 0.00 H new ATOM 0 HA LEU A 850 14.467 -1.421 -5.144 1.00 0.00 H new ATOM 0 HB2 LEU A 850 15.486 -4.125 -4.352 1.00 0.00 H new ATOM 0 HB3 LEU A 850 13.781 -3.982 -4.732 1.00 0.00 H new ATOM 0 HG LEU A 850 14.935 -4.713 -6.694 1.00 0.00 H new ATOM 0 HD11 LEU A 850 14.384 -2.919 -8.288 1.00 0.00 H new ATOM 0 HD12 LEU A 850 13.112 -3.126 -7.061 1.00 0.00 H new ATOM 0 HD13 LEU A 850 14.254 -1.766 -6.939 1.00 0.00 H new ATOM 0 HD21 LEU A 850 16.741 -3.399 -7.737 1.00 0.00 H new ATOM 0 HD22 LEU A 850 16.701 -2.265 -6.365 1.00 0.00 H new ATOM 0 HD23 LEU A 850 17.188 -3.957 -6.107 1.00 0.00 H new ATOM 790 N LEU A 851 14.180 -2.306 -2.006 1.00 0.00 N ATOM 791 CA LEU A 851 13.310 -2.239 -0.837 1.00 0.00 C ATOM 792 C LEU A 851 12.856 -0.806 -0.578 1.00 0.00 C ATOM 793 O LEU A 851 11.683 -0.474 -0.751 1.00 0.00 O ATOM 794 CB LEU A 851 14.033 -2.787 0.394 1.00 0.00 C ATOM 795 CG LEU A 851 13.256 -2.730 1.710 1.00 0.00 C ATOM 796 CD1 LEU A 851 11.971 -3.537 1.607 1.00 0.00 C ATOM 797 CD2 LEU A 851 14.115 -3.235 2.859 1.00 0.00 C ATOM 0 H LEU A 851 15.136 -2.599 -1.803 1.00 0.00 H new ATOM 0 HA LEU A 851 12.429 -2.850 -1.035 1.00 0.00 H new ATOM 0 HB2 LEU A 851 14.303 -3.825 0.200 1.00 0.00 H new ATOM 0 HB3 LEU A 851 14.963 -2.234 0.520 1.00 0.00 H new ATOM 0 HG LEU A 851 12.993 -1.691 1.909 1.00 0.00 H new ATOM 0 HD11 LEU A 851 11.432 -3.485 2.553 1.00 0.00 H new ATOM 0 HD12 LEU A 851 11.348 -3.129 0.811 1.00 0.00 H new ATOM 0 HD13 LEU A 851 12.211 -4.576 1.383 1.00 0.00 H new ATOM 0 HD21 LEU A 851 13.546 -3.187 3.787 1.00 0.00 H new ATOM 0 HD22 LEU A 851 14.410 -4.267 2.667 1.00 0.00 H new ATOM 0 HD23 LEU A 851 15.006 -2.614 2.947 1.00 0.00 H new ATOM 809 N VAL A 852 13.794 0.041 -0.165 1.00 0.00 N ATOM 810 CA VAL A 852 13.491 1.440 0.115 1.00 0.00 C ATOM 811 C VAL A 852 12.655 2.055 -1.002 1.00 0.00 C ATOM 812 O VAL A 852 11.738 2.835 -0.747 1.00 0.00 O ATOM 813 CB VAL A 852 14.778 2.267 0.294 1.00 0.00 C ATOM 814 CG1 VAL A 852 15.557 1.788 1.509 1.00 0.00 C ATOM 815 CG2 VAL A 852 15.636 2.196 -0.961 1.00 0.00 C ATOM 0 H VAL A 852 14.770 -0.217 -0.017 1.00 0.00 H new ATOM 0 HA VAL A 852 12.922 1.462 1.044 1.00 0.00 H new ATOM 0 HB VAL A 852 14.499 3.308 0.458 1.00 0.00 H new ATOM 0 HG11 VAL A 852 16.463 2.384 1.619 1.00 0.00 H new ATOM 0 HG12 VAL A 852 14.941 1.896 2.402 1.00 0.00 H new ATOM 0 HG13 VAL A 852 15.826 0.740 1.379 1.00 0.00 H new ATOM 0 HG21 VAL A 852 16.541 2.786 -0.817 1.00 0.00 H new ATOM 0 HG22 VAL A 852 15.907 1.159 -1.159 1.00 0.00 H new ATOM 0 HG23 VAL A 852 15.076 2.592 -1.808 1.00 0.00 H new ATOM 825 N SER A 853 12.979 1.699 -2.241 1.00 0.00 N ATOM 826 CA SER A 853 12.260 2.219 -3.398 1.00 0.00 C ATOM 827 C SER A 853 10.772 1.894 -3.304 1.00 0.00 C ATOM 828 O SER A 853 9.924 2.771 -3.458 1.00 0.00 O ATOM 829 CB SER A 853 12.840 1.637 -4.689 1.00 0.00 C ATOM 830 OG SER A 853 12.023 1.954 -5.803 1.00 0.00 O ATOM 0 H SER A 853 13.734 1.053 -2.469 1.00 0.00 H new ATOM 0 HA SER A 853 12.377 3.303 -3.411 1.00 0.00 H new ATOM 0 HB2 SER A 853 13.845 2.027 -4.848 1.00 0.00 H new ATOM 0 HB3 SER A 853 12.929 0.555 -4.596 1.00 0.00 H new ATOM 0 HG SER A 853 12.416 1.572 -6.616 1.00 0.00 H new ATOM 836 N GLU A 854 10.465 0.625 -3.050 1.00 0.00 N ATOM 837 CA GLU A 854 9.080 0.184 -2.937 1.00 0.00 C ATOM 838 C GLU A 854 8.345 0.969 -1.854 1.00 0.00 C ATOM 839 O GLU A 854 7.330 1.613 -2.119 1.00 0.00 O ATOM 840 CB GLU A 854 9.022 -1.313 -2.624 1.00 0.00 C ATOM 841 CG GLU A 854 9.284 -2.198 -3.831 1.00 0.00 C ATOM 842 CD GLU A 854 8.338 -1.912 -4.981 1.00 0.00 C ATOM 843 OE1 GLU A 854 8.625 -0.986 -5.768 1.00 0.00 O ATOM 844 OE2 GLU A 854 7.311 -2.613 -5.093 1.00 0.00 O ATOM 0 H GLU A 854 11.156 -0.114 -2.919 1.00 0.00 H new ATOM 0 HA GLU A 854 8.588 0.368 -3.892 1.00 0.00 H new ATOM 0 HB2 GLU A 854 9.754 -1.542 -1.850 1.00 0.00 H new ATOM 0 HB3 GLU A 854 8.040 -1.552 -2.215 1.00 0.00 H new ATOM 0 HG2 GLU A 854 10.311 -2.054 -4.166 1.00 0.00 H new ATOM 0 HG3 GLU A 854 9.188 -3.243 -3.538 1.00 0.00 H new ATOM 851 N VAL A 855 8.866 0.911 -0.632 1.00 0.00 N ATOM 852 CA VAL A 855 8.261 1.616 0.491 1.00 0.00 C ATOM 853 C VAL A 855 7.822 3.019 0.087 1.00 0.00 C ATOM 854 O VAL A 855 6.656 3.384 0.240 1.00 0.00 O ATOM 855 CB VAL A 855 9.235 1.717 1.680 1.00 0.00 C ATOM 856 CG1 VAL A 855 8.680 2.649 2.747 1.00 0.00 C ATOM 857 CG2 VAL A 855 9.514 0.338 2.258 1.00 0.00 C ATOM 0 H VAL A 855 9.706 0.383 -0.395 1.00 0.00 H new ATOM 0 HA VAL A 855 7.388 1.039 0.794 1.00 0.00 H new ATOM 0 HB VAL A 855 10.177 2.133 1.322 1.00 0.00 H new ATOM 0 HG11 VAL A 855 9.381 2.708 3.579 1.00 0.00 H new ATOM 0 HG12 VAL A 855 8.536 3.643 2.323 1.00 0.00 H new ATOM 0 HG13 VAL A 855 7.725 2.265 3.104 1.00 0.00 H new ATOM 0 HG21 VAL A 855 10.204 0.428 3.097 1.00 0.00 H new ATOM 0 HG22 VAL A 855 8.581 -0.108 2.602 1.00 0.00 H new ATOM 0 HG23 VAL A 855 9.958 -0.296 1.490 1.00 0.00 H new ATOM 867 N TYR A 856 8.763 3.801 -0.431 1.00 0.00 N ATOM 868 CA TYR A 856 8.474 5.165 -0.856 1.00 0.00 C ATOM 869 C TYR A 856 7.303 5.195 -1.833 1.00 0.00 C ATOM 870 O TYR A 856 6.434 6.061 -1.751 1.00 0.00 O ATOM 871 CB TYR A 856 9.710 5.793 -1.503 1.00 0.00 C ATOM 872 CG TYR A 856 10.746 6.259 -0.505 1.00 0.00 C ATOM 873 CD1 TYR A 856 10.449 7.251 0.422 1.00 0.00 C ATOM 874 CD2 TYR A 856 12.021 5.707 -0.488 1.00 0.00 C ATOM 875 CE1 TYR A 856 11.393 7.680 1.335 1.00 0.00 C ATOM 876 CE2 TYR A 856 12.970 6.129 0.422 1.00 0.00 C ATOM 877 CZ TYR A 856 12.651 7.116 1.331 1.00 0.00 C ATOM 878 OH TYR A 856 13.594 7.540 2.240 1.00 0.00 O ATOM 0 H TYR A 856 9.732 3.513 -0.567 1.00 0.00 H new ATOM 0 HA TYR A 856 8.201 5.743 0.027 1.00 0.00 H new ATOM 0 HB2 TYR A 856 10.166 5.066 -2.175 1.00 0.00 H new ATOM 0 HB3 TYR A 856 9.399 6.641 -2.114 1.00 0.00 H new ATOM 0 HD1 TYR A 856 9.464 7.694 0.429 1.00 0.00 H new ATOM 0 HD2 TYR A 856 12.274 4.934 -1.199 1.00 0.00 H new ATOM 0 HE1 TYR A 856 11.147 8.453 2.048 1.00 0.00 H new ATOM 0 HE2 TYR A 856 13.956 5.689 0.422 1.00 0.00 H new ATOM 0 HH TYR A 856 13.150 8.012 2.976 1.00 0.00 H new ATOM 888 N ASN A 857 7.289 4.241 -2.759 1.00 0.00 N ATOM 889 CA ASN A 857 6.226 4.157 -3.753 1.00 0.00 C ATOM 890 C ASN A 857 4.860 4.055 -3.082 1.00 0.00 C ATOM 891 O ASN A 857 3.878 4.619 -3.564 1.00 0.00 O ATOM 892 CB ASN A 857 6.449 2.950 -4.667 1.00 0.00 C ATOM 893 CG ASN A 857 5.606 3.014 -5.926 1.00 0.00 C ATOM 894 OD1 ASN A 857 5.020 4.050 -6.242 1.00 0.00 O ATOM 895 ND2 ASN A 857 5.541 1.904 -6.652 1.00 0.00 N ATOM 0 H ASN A 857 8.002 3.516 -2.841 1.00 0.00 H new ATOM 0 HA ASN A 857 6.250 5.068 -4.352 1.00 0.00 H new ATOM 0 HB2 ASN A 857 7.503 2.895 -4.941 1.00 0.00 H new ATOM 0 HB3 ASN A 857 6.213 2.036 -4.121 1.00 0.00 H new ATOM 0 HD21 ASN A 857 4.989 1.887 -7.510 1.00 0.00 H new ATOM 0 HD22 ASN A 857 6.043 1.068 -6.352 1.00 0.00 H new ATOM 902 N GLN A 858 4.806 3.333 -1.967 1.00 0.00 N ATOM 903 CA GLN A 858 3.561 3.158 -1.230 1.00 0.00 C ATOM 904 C GLN A 858 3.253 4.387 -0.381 1.00 0.00 C ATOM 905 O GLN A 858 2.095 4.778 -0.231 1.00 0.00 O ATOM 906 CB GLN A 858 3.640 1.915 -0.341 1.00 0.00 C ATOM 907 CG GLN A 858 3.778 0.618 -1.120 1.00 0.00 C ATOM 908 CD GLN A 858 2.451 0.110 -1.649 1.00 0.00 C ATOM 909 OE1 GLN A 858 1.488 -0.043 -0.896 1.00 0.00 O ATOM 910 NE2 GLN A 858 2.392 -0.154 -2.949 1.00 0.00 N ATOM 0 H GLN A 858 5.610 2.860 -1.555 1.00 0.00 H new ATOM 0 HA GLN A 858 2.756 3.028 -1.953 1.00 0.00 H new ATOM 0 HB2 GLN A 858 4.489 2.015 0.335 1.00 0.00 H new ATOM 0 HB3 GLN A 858 2.744 1.864 0.278 1.00 0.00 H new ATOM 0 HG2 GLN A 858 4.463 0.771 -1.954 1.00 0.00 H new ATOM 0 HG3 GLN A 858 4.223 -0.142 -0.477 1.00 0.00 H new ATOM 0 HE21 GLN A 858 3.214 -0.013 -3.536 1.00 0.00 H new ATOM 0 HE22 GLN A 858 1.524 -0.498 -3.361 1.00 0.00 H new ATOM 919 N LEU A 859 4.298 4.992 0.175 1.00 0.00 N ATOM 920 CA LEU A 859 4.140 6.177 1.010 1.00 0.00 C ATOM 921 C LEU A 859 4.279 7.450 0.181 1.00 0.00 C ATOM 922 O LEU A 859 5.331 7.713 -0.402 1.00 0.00 O ATOM 923 CB LEU A 859 5.175 6.173 2.137 1.00 0.00 C ATOM 924 CG LEU A 859 5.377 4.839 2.857 1.00 0.00 C ATOM 925 CD1 LEU A 859 6.299 5.014 4.054 1.00 0.00 C ATOM 926 CD2 LEU A 859 4.039 4.259 3.292 1.00 0.00 C ATOM 0 H LEU A 859 5.263 4.681 0.062 1.00 0.00 H new ATOM 0 HA LEU A 859 3.140 6.155 1.443 1.00 0.00 H new ATOM 0 HB2 LEU A 859 6.133 6.489 1.725 1.00 0.00 H new ATOM 0 HB3 LEU A 859 4.883 6.921 2.874 1.00 0.00 H new ATOM 0 HG LEU A 859 5.844 4.140 2.163 1.00 0.00 H new ATOM 0 HD11 LEU A 859 6.432 4.055 4.554 1.00 0.00 H new ATOM 0 HD12 LEU A 859 7.267 5.384 3.717 1.00 0.00 H new ATOM 0 HD13 LEU A 859 5.860 5.729 4.750 1.00 0.00 H new ATOM 0 HD21 LEU A 859 4.203 3.310 3.803 1.00 0.00 H new ATOM 0 HD22 LEU A 859 3.544 4.955 3.969 1.00 0.00 H new ATOM 0 HD23 LEU A 859 3.411 4.096 2.416 1.00 0.00 H new ATOM 938 N LYS A 860 3.211 8.239 0.135 1.00 0.00 N ATOM 939 CA LYS A 860 3.213 9.487 -0.619 1.00 0.00 C ATOM 940 C LYS A 860 3.797 10.624 0.213 1.00 0.00 C ATOM 941 O LYS A 860 3.490 11.795 -0.014 1.00 0.00 O ATOM 942 CB LYS A 860 1.792 9.843 -1.061 1.00 0.00 C ATOM 943 CG LYS A 860 1.163 8.808 -1.978 1.00 0.00 C ATOM 944 CD LYS A 860 1.555 9.038 -3.428 1.00 0.00 C ATOM 945 CE LYS A 860 1.263 7.815 -4.285 1.00 0.00 C ATOM 946 NZ LYS A 860 0.983 8.183 -5.700 1.00 0.00 N ATOM 0 H LYS A 860 2.332 8.036 0.611 1.00 0.00 H new ATOM 0 HA LYS A 860 3.837 9.348 -1.502 1.00 0.00 H new ATOM 0 HB2 LYS A 860 1.165 9.962 -0.178 1.00 0.00 H new ATOM 0 HB3 LYS A 860 1.810 10.806 -1.572 1.00 0.00 H new ATOM 0 HG2 LYS A 860 1.474 7.810 -1.670 1.00 0.00 H new ATOM 0 HG3 LYS A 860 0.078 8.847 -1.883 1.00 0.00 H new ATOM 0 HD2 LYS A 860 1.012 9.897 -3.821 1.00 0.00 H new ATOM 0 HD3 LYS A 860 2.617 9.279 -3.485 1.00 0.00 H new ATOM 0 HE2 LYS A 860 2.114 7.134 -4.248 1.00 0.00 H new ATOM 0 HE3 LYS A 860 0.408 7.279 -3.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 860 0.789 7.322 -6.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 860 0.156 8.812 -5.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 860 1.808 8.672 -6.101 1.00 0.00 H new ATOM 960 N PHE A 861 4.642 10.273 1.176 1.00 0.00 N ATOM 961 CA PHE A 861 5.270 11.264 2.042 1.00 0.00 C ATOM 962 C PHE A 861 6.751 10.954 2.239 1.00 0.00 C ATOM 963 O PHE A 861 7.184 9.803 2.178 1.00 0.00 O ATOM 964 CB PHE A 861 4.562 11.311 3.397 1.00 0.00 C ATOM 965 CG PHE A 861 4.978 10.208 4.329 1.00 0.00 C ATOM 966 CD1 PHE A 861 4.508 8.917 4.149 1.00 0.00 C ATOM 967 CD2 PHE A 861 5.840 10.463 5.384 1.00 0.00 C ATOM 968 CE1 PHE A 861 4.889 7.902 5.006 1.00 0.00 C ATOM 969 CE2 PHE A 861 6.224 9.451 6.243 1.00 0.00 C ATOM 970 CZ PHE A 861 5.749 8.168 6.053 1.00 0.00 C ATOM 0 H PHE A 861 4.908 9.309 1.377 1.00 0.00 H new ATOM 0 HA PHE A 861 5.182 12.238 1.561 1.00 0.00 H new ATOM 0 HB2 PHE A 861 4.764 12.272 3.871 1.00 0.00 H new ATOM 0 HB3 PHE A 861 3.485 11.255 3.238 1.00 0.00 H new ATOM 0 HD1 PHE A 861 3.837 8.702 3.331 1.00 0.00 H new ATOM 0 HD2 PHE A 861 6.216 11.464 5.536 1.00 0.00 H new ATOM 0 HE1 PHE A 861 4.514 6.900 4.857 1.00 0.00 H new ATOM 0 HE2 PHE A 861 6.895 9.663 7.062 1.00 0.00 H new ATOM 0 HZ PHE A 861 6.049 7.375 6.722 1.00 0.00 H new ATOM 980 N PRO A 862 7.549 12.005 2.481 1.00 0.00 N ATOM 981 CA PRO A 862 8.993 11.871 2.693 1.00 0.00 C ATOM 982 C PRO A 862 9.325 11.190 4.016 1.00 0.00 C ATOM 983 O PRO A 862 8.757 11.524 5.057 1.00 0.00 O ATOM 984 CB PRO A 862 9.486 13.320 2.698 1.00 0.00 C ATOM 985 CG PRO A 862 8.303 14.122 3.118 1.00 0.00 C ATOM 986 CD PRO A 862 7.101 13.405 2.568 1.00 0.00 C ATOM 0 HA PRO A 862 9.461 11.249 1.930 1.00 0.00 H new ATOM 0 HB2 PRO A 862 10.319 13.452 3.388 1.00 0.00 H new ATOM 0 HB3 PRO A 862 9.839 13.621 1.712 1.00 0.00 H new ATOM 0 HG2 PRO A 862 8.249 14.198 4.204 1.00 0.00 H new ATOM 0 HG3 PRO A 862 8.363 15.139 2.729 1.00 0.00 H new ATOM 0 HD2 PRO A 862 6.236 13.510 3.223 1.00 0.00 H new ATOM 0 HD3 PRO A 862 6.812 13.796 1.592 1.00 0.00 H new ATOM 994 N VAL A 863 10.247 10.235 3.970 1.00 0.00 N ATOM 995 CA VAL A 863 10.656 9.508 5.166 1.00 0.00 C ATOM 996 C VAL A 863 12.168 9.561 5.352 1.00 0.00 C ATOM 997 O VAL A 863 12.922 8.995 4.560 1.00 0.00 O ATOM 998 CB VAL A 863 10.208 8.035 5.108 1.00 0.00 C ATOM 999 CG1 VAL A 863 10.711 7.276 6.326 1.00 0.00 C ATOM 1000 CG2 VAL A 863 8.693 7.943 5.000 1.00 0.00 C ATOM 0 H VAL A 863 10.726 9.946 3.117 1.00 0.00 H new ATOM 0 HA VAL A 863 10.172 9.994 6.013 1.00 0.00 H new ATOM 0 HB VAL A 863 10.641 7.576 4.219 1.00 0.00 H new ATOM 0 HG11 VAL A 863 10.385 6.238 6.268 1.00 0.00 H new ATOM 0 HG12 VAL A 863 11.800 7.313 6.354 1.00 0.00 H new ATOM 0 HG13 VAL A 863 10.309 7.732 7.231 1.00 0.00 H new ATOM 0 HG21 VAL A 863 8.394 6.896 4.960 1.00 0.00 H new ATOM 0 HG22 VAL A 863 8.237 8.418 5.869 1.00 0.00 H new ATOM 0 HG23 VAL A 863 8.361 8.450 4.094 1.00 0.00 H new ATOM 1010 N LYS A 864 12.606 10.244 6.404 1.00 0.00 N ATOM 1011 CA LYS A 864 14.028 10.371 6.696 1.00 0.00 C ATOM 1012 C LYS A 864 14.740 9.033 6.525 1.00 0.00 C ATOM 1013 O LYS A 864 14.141 7.964 6.642 1.00 0.00 O ATOM 1014 CB LYS A 864 14.233 10.890 8.121 1.00 0.00 C ATOM 1015 CG LYS A 864 13.759 12.320 8.321 1.00 0.00 C ATOM 1016 CD LYS A 864 13.537 12.633 9.791 1.00 0.00 C ATOM 1017 CE LYS A 864 14.855 12.806 10.530 1.00 0.00 C ATOM 1018 NZ LYS A 864 15.553 14.060 10.133 1.00 0.00 N ATOM 0 H LYS A 864 11.995 10.719 7.069 1.00 0.00 H new ATOM 0 HA LYS A 864 14.456 11.084 5.991 1.00 0.00 H new ATOM 0 HB2 LYS A 864 13.702 10.239 8.816 1.00 0.00 H new ATOM 0 HB3 LYS A 864 15.292 10.828 8.373 1.00 0.00 H new ATOM 0 HG2 LYS A 864 14.495 13.010 7.908 1.00 0.00 H new ATOM 0 HG3 LYS A 864 12.832 12.477 7.770 1.00 0.00 H new ATOM 0 HD2 LYS A 864 12.944 13.543 9.885 1.00 0.00 H new ATOM 0 HD3 LYS A 864 12.963 11.830 10.252 1.00 0.00 H new ATOM 0 HE2 LYS A 864 14.670 12.818 11.604 1.00 0.00 H new ATOM 0 HE3 LYS A 864 15.500 11.951 10.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 864 16.313 14.265 10.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 864 15.960 13.945 9.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 864 14.874 14.848 10.125 1.00 0.00 H new ATOM 1032 N PRO A 865 16.050 9.090 6.242 1.00 0.00 N ATOM 1033 CA PRO A 865 16.872 7.891 6.051 1.00 0.00 C ATOM 1034 C PRO A 865 17.086 7.122 7.350 1.00 0.00 C ATOM 1035 O PRO A 865 17.156 5.893 7.350 1.00 0.00 O ATOM 1036 CB PRO A 865 18.200 8.451 5.536 1.00 0.00 C ATOM 1037 CG PRO A 865 18.253 9.845 6.058 1.00 0.00 C ATOM 1038 CD PRO A 865 16.830 10.330 6.088 1.00 0.00 C ATOM 0 HA PRO A 865 16.402 7.178 5.373 1.00 0.00 H new ATOM 0 HB2 PRO A 865 19.044 7.862 5.895 1.00 0.00 H new ATOM 0 HB3 PRO A 865 18.240 8.435 4.447 1.00 0.00 H new ATOM 0 HG2 PRO A 865 18.696 9.872 7.054 1.00 0.00 H new ATOM 0 HG3 PRO A 865 18.868 10.478 5.418 1.00 0.00 H new ATOM 0 HD2 PRO A 865 16.658 11.019 6.915 1.00 0.00 H new ATOM 0 HD3 PRO A 865 16.566 10.859 5.172 1.00 0.00 H new ATOM 1046 N ALA A 866 17.190 7.853 8.455 1.00 0.00 N ATOM 1047 CA ALA A 866 17.393 7.239 9.761 1.00 0.00 C ATOM 1048 C ALA A 866 16.216 6.346 10.137 1.00 0.00 C ATOM 1049 O ALA A 866 16.401 5.222 10.604 1.00 0.00 O ATOM 1050 CB ALA A 866 17.606 8.309 10.821 1.00 0.00 C ATOM 0 H ALA A 866 17.137 8.871 8.472 1.00 0.00 H new ATOM 0 HA ALA A 866 18.285 6.615 9.706 1.00 0.00 H new ATOM 0 HB1 ALA A 866 17.756 7.835 11.791 1.00 0.00 H new ATOM 0 HB2 ALA A 866 18.484 8.903 10.567 1.00 0.00 H new ATOM 0 HB3 ALA A 866 16.730 8.957 10.865 1.00 0.00 H new ATOM 1056 N ASP A 867 15.006 6.854 9.932 1.00 0.00 N ATOM 1057 CA ASP A 867 13.797 6.102 10.250 1.00 0.00 C ATOM 1058 C ASP A 867 13.661 4.883 9.342 1.00 0.00 C ATOM 1059 O ASP A 867 13.452 3.765 9.814 1.00 0.00 O ATOM 1060 CB ASP A 867 12.564 6.996 10.113 1.00 0.00 C ATOM 1061 CG ASP A 867 12.518 8.085 11.167 1.00 0.00 C ATOM 1062 OD1 ASP A 867 11.998 7.821 12.271 1.00 0.00 O ATOM 1063 OD2 ASP A 867 13.004 9.201 10.887 1.00 0.00 O ATOM 0 H ASP A 867 14.836 7.783 9.547 1.00 0.00 H new ATOM 0 HA ASP A 867 13.873 5.758 11.281 1.00 0.00 H new ATOM 0 HB2 ASP A 867 12.558 7.452 9.123 1.00 0.00 H new ATOM 0 HB3 ASP A 867 11.665 6.384 10.188 1.00 0.00 H new ATOM 1068 N LEU A 868 13.778 5.107 8.038 1.00 0.00 N ATOM 1069 CA LEU A 868 13.667 4.028 7.063 1.00 0.00 C ATOM 1070 C LEU A 868 14.669 2.918 7.364 1.00 0.00 C ATOM 1071 O LEU A 868 14.299 1.750 7.493 1.00 0.00 O ATOM 1072 CB LEU A 868 13.894 4.566 5.650 1.00 0.00 C ATOM 1073 CG LEU A 868 13.595 3.595 4.506 1.00 0.00 C ATOM 1074 CD1 LEU A 868 12.103 3.312 4.423 1.00 0.00 C ATOM 1075 CD2 LEU A 868 14.109 4.152 3.186 1.00 0.00 C ATOM 0 H LEU A 868 13.950 6.026 7.631 1.00 0.00 H new ATOM 0 HA LEU A 868 12.661 3.613 7.130 1.00 0.00 H new ATOM 0 HB2 LEU A 868 13.276 5.454 5.517 1.00 0.00 H new ATOM 0 HB3 LEU A 868 14.933 4.885 5.567 1.00 0.00 H new ATOM 0 HG LEU A 868 14.111 2.656 4.707 1.00 0.00 H new ATOM 0 HD11 LEU A 868 11.909 2.620 3.604 1.00 0.00 H new ATOM 0 HD12 LEU A 868 11.764 2.870 5.360 1.00 0.00 H new ATOM 0 HD13 LEU A 868 11.565 4.243 4.246 1.00 0.00 H new ATOM 0 HD21 LEU A 868 13.888 3.448 2.383 1.00 0.00 H new ATOM 0 HD22 LEU A 868 13.621 5.104 2.978 1.00 0.00 H new ATOM 0 HD23 LEU A 868 15.187 4.303 3.250 1.00 0.00 H new ATOM 1087 N LYS A 869 15.940 3.289 7.477 1.00 0.00 N ATOM 1088 CA LYS A 869 16.996 2.326 7.766 1.00 0.00 C ATOM 1089 C LYS A 869 16.663 1.510 9.010 1.00 0.00 C ATOM 1090 O LYS A 869 16.667 0.279 8.978 1.00 0.00 O ATOM 1091 CB LYS A 869 18.332 3.047 7.959 1.00 0.00 C ATOM 1092 CG LYS A 869 19.104 3.254 6.667 1.00 0.00 C ATOM 1093 CD LYS A 869 19.816 1.985 6.232 1.00 0.00 C ATOM 1094 CE LYS A 869 21.068 1.737 7.060 1.00 0.00 C ATOM 1095 NZ LYS A 869 22.074 0.930 6.316 1.00 0.00 N ATOM 0 H LYS A 869 16.264 4.251 7.373 1.00 0.00 H new ATOM 0 HA LYS A 869 17.075 1.646 6.918 1.00 0.00 H new ATOM 0 HB2 LYS A 869 18.148 4.017 8.422 1.00 0.00 H new ATOM 0 HB3 LYS A 869 18.948 2.474 8.652 1.00 0.00 H new ATOM 0 HG2 LYS A 869 18.420 3.576 5.881 1.00 0.00 H new ATOM 0 HG3 LYS A 869 19.833 4.053 6.802 1.00 0.00 H new ATOM 0 HD2 LYS A 869 19.140 1.136 6.329 1.00 0.00 H new ATOM 0 HD3 LYS A 869 20.084 2.060 5.178 1.00 0.00 H new ATOM 0 HE2 LYS A 869 21.509 2.692 7.347 1.00 0.00 H new ATOM 0 HE3 LYS A 869 20.798 1.221 7.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 869 22.912 0.783 6.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 869 21.662 0.009 6.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 869 22.351 1.434 5.450 1.00 0.00 H new ATOM 1109 N LYS A 870 16.372 2.203 10.106 1.00 0.00 N ATOM 1110 CA LYS A 870 16.033 1.543 11.362 1.00 0.00 C ATOM 1111 C LYS A 870 14.861 0.585 11.174 1.00 0.00 C ATOM 1112 O LYS A 870 14.910 -0.564 11.612 1.00 0.00 O ATOM 1113 CB LYS A 870 15.690 2.582 12.432 1.00 0.00 C ATOM 1114 CG LYS A 870 16.909 3.263 13.031 1.00 0.00 C ATOM 1115 CD LYS A 870 16.598 3.864 14.392 1.00 0.00 C ATOM 1116 CE LYS A 870 16.503 2.792 15.466 1.00 0.00 C ATOM 1117 NZ LYS A 870 16.758 3.344 16.825 1.00 0.00 N ATOM 0 H LYS A 870 16.364 3.222 10.150 1.00 0.00 H new ATOM 0 HA LYS A 870 16.900 0.969 11.687 1.00 0.00 H new ATOM 0 HB2 LYS A 870 15.039 3.339 11.996 1.00 0.00 H new ATOM 0 HB3 LYS A 870 15.126 2.098 13.229 1.00 0.00 H new ATOM 0 HG2 LYS A 870 17.720 2.541 13.128 1.00 0.00 H new ATOM 0 HG3 LYS A 870 17.258 4.046 12.357 1.00 0.00 H new ATOM 0 HD2 LYS A 870 17.374 4.581 14.660 1.00 0.00 H new ATOM 0 HD3 LYS A 870 15.659 4.414 14.342 1.00 0.00 H new ATOM 0 HE2 LYS A 870 15.513 2.337 15.439 1.00 0.00 H new ATOM 0 HE3 LYS A 870 17.223 2.001 15.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 870 16.684 2.582 17.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 870 17.713 3.755 16.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 870 16.056 4.081 17.038 1.00 0.00 H new ATOM 1131 N ARG A 871 13.809 1.066 10.519 1.00 0.00 N ATOM 1132 CA ARG A 871 12.625 0.252 10.273 1.00 0.00 C ATOM 1133 C ARG A 871 12.999 -1.058 9.586 1.00 0.00 C ATOM 1134 O ARG A 871 12.576 -2.134 10.009 1.00 0.00 O ATOM 1135 CB ARG A 871 11.620 1.022 9.413 1.00 0.00 C ATOM 1136 CG ARG A 871 10.893 2.124 10.167 1.00 0.00 C ATOM 1137 CD ARG A 871 9.832 1.556 11.096 1.00 0.00 C ATOM 1138 NE ARG A 871 10.414 0.986 12.309 1.00 0.00 N ATOM 1139 CZ ARG A 871 10.923 1.718 13.294 1.00 0.00 C ATOM 1140 NH1 ARG A 871 10.921 3.041 13.210 1.00 0.00 N ATOM 1141 NH2 ARG A 871 11.435 1.126 14.365 1.00 0.00 N ATOM 0 H ARG A 871 13.753 2.015 10.149 1.00 0.00 H new ATOM 0 HA ARG A 871 12.168 0.021 11.235 1.00 0.00 H new ATOM 0 HB2 ARG A 871 12.142 1.459 8.562 1.00 0.00 H new ATOM 0 HB3 ARG A 871 10.886 0.323 9.012 1.00 0.00 H new ATOM 0 HG2 ARG A 871 11.611 2.706 10.745 1.00 0.00 H new ATOM 0 HG3 ARG A 871 10.428 2.807 9.456 1.00 0.00 H new ATOM 0 HD2 ARG A 871 9.128 2.343 11.367 1.00 0.00 H new ATOM 0 HD3 ARG A 871 9.264 0.788 10.571 1.00 0.00 H new ATOM 0 HE ARG A 871 10.430 -0.029 12.405 1.00 0.00 H new ATOM 0 HH11 ARG A 871 10.528 3.499 12.388 1.00 0.00 H new ATOM 0 HH12 ARG A 871 11.312 3.601 13.968 1.00 0.00 H new ATOM 0 HH21 ARG A 871 11.438 0.108 14.433 1.00 0.00 H new ATOM 0 HH22 ARG A 871 11.826 1.689 15.121 1.00 0.00 H new ATOM 1155 N ILE A 872 13.792 -0.958 8.525 1.00 0.00 N ATOM 1156 CA ILE A 872 14.223 -2.135 7.780 1.00 0.00 C ATOM 1157 C ILE A 872 14.965 -3.116 8.683 1.00 0.00 C ATOM 1158 O ILE A 872 14.573 -4.275 8.810 1.00 0.00 O ATOM 1159 CB ILE A 872 15.134 -1.752 6.599 1.00 0.00 C ATOM 1160 CG1 ILE A 872 14.406 -0.794 5.655 1.00 0.00 C ATOM 1161 CG2 ILE A 872 15.586 -2.998 5.853 1.00 0.00 C ATOM 1162 CD1 ILE A 872 15.322 -0.104 4.669 1.00 0.00 C ATOM 0 H ILE A 872 14.149 -0.074 8.162 1.00 0.00 H new ATOM 0 HA ILE A 872 13.322 -2.611 7.393 1.00 0.00 H new ATOM 0 HB ILE A 872 16.017 -1.246 6.990 1.00 0.00 H new ATOM 0 HG12 ILE A 872 13.645 -1.347 5.105 1.00 0.00 H new ATOM 0 HG13 ILE A 872 13.887 -0.039 6.246 1.00 0.00 H new ATOM 0 HG21 ILE A 872 16.229 -2.711 5.021 1.00 0.00 H new ATOM 0 HG22 ILE A 872 16.139 -3.648 6.531 1.00 0.00 H new ATOM 0 HG23 ILE A 872 14.714 -3.530 5.471 1.00 0.00 H new ATOM 0 HD11 ILE A 872 14.737 0.560 4.032 1.00 0.00 H new ATOM 0 HD12 ILE A 872 16.068 0.477 5.211 1.00 0.00 H new ATOM 0 HD13 ILE A 872 15.822 -0.851 4.052 1.00 0.00 H new ATOM 1174 N GLU A 873 16.037 -2.640 9.309 1.00 0.00 N ATOM 1175 CA GLU A 873 16.833 -3.476 10.201 1.00 0.00 C ATOM 1176 C GLU A 873 15.942 -4.203 11.204 1.00 0.00 C ATOM 1177 O GLU A 873 15.932 -5.433 11.264 1.00 0.00 O ATOM 1178 CB GLU A 873 17.867 -2.627 10.943 1.00 0.00 C ATOM 1179 CG GLU A 873 18.886 -1.971 10.027 1.00 0.00 C ATOM 1180 CD GLU A 873 19.601 -0.807 10.687 1.00 0.00 C ATOM 1181 OE1 GLU A 873 18.926 -0.006 11.367 1.00 0.00 O ATOM 1182 OE2 GLU A 873 20.834 -0.697 10.523 1.00 0.00 O ATOM 0 H GLU A 873 16.374 -1.682 9.215 1.00 0.00 H new ATOM 0 HA GLU A 873 17.351 -4.220 9.595 1.00 0.00 H new ATOM 0 HB2 GLU A 873 17.350 -1.853 11.510 1.00 0.00 H new ATOM 0 HB3 GLU A 873 18.390 -3.255 11.664 1.00 0.00 H new ATOM 0 HG2 GLU A 873 19.620 -2.714 9.716 1.00 0.00 H new ATOM 0 HG3 GLU A 873 18.385 -1.620 9.125 1.00 0.00 H new ATOM 1189 N SER A 874 15.195 -3.434 11.990 1.00 0.00 N ATOM 1190 CA SER A 874 14.304 -4.004 12.993 1.00 0.00 C ATOM 1191 C SER A 874 13.539 -5.197 12.426 1.00 0.00 C ATOM 1192 O SER A 874 13.737 -6.336 12.852 1.00 0.00 O ATOM 1193 CB SER A 874 13.320 -2.945 13.493 1.00 0.00 C ATOM 1194 OG SER A 874 13.932 -2.089 14.444 1.00 0.00 O ATOM 0 H SER A 874 15.189 -2.415 11.951 1.00 0.00 H new ATOM 0 HA SER A 874 14.913 -4.348 13.829 1.00 0.00 H new ATOM 0 HB2 SER A 874 12.955 -2.357 12.651 1.00 0.00 H new ATOM 0 HB3 SER A 874 12.454 -3.432 13.941 1.00 0.00 H new ATOM 0 HG SER A 874 13.283 -1.420 14.747 1.00 0.00 H new ATOM 1200 N LEU A 875 12.665 -4.927 11.463 1.00 0.00 N ATOM 1201 CA LEU A 875 11.869 -5.977 10.837 1.00 0.00 C ATOM 1202 C LEU A 875 12.697 -7.243 10.639 1.00 0.00 C ATOM 1203 O LEU A 875 12.283 -8.334 11.034 1.00 0.00 O ATOM 1204 CB LEU A 875 11.323 -5.496 9.491 1.00 0.00 C ATOM 1205 CG LEU A 875 10.254 -4.404 9.552 1.00 0.00 C ATOM 1206 CD1 LEU A 875 9.994 -3.835 8.166 1.00 0.00 C ATOM 1207 CD2 LEU A 875 8.969 -4.950 10.156 1.00 0.00 C ATOM 0 H LEU A 875 12.489 -3.991 11.099 1.00 0.00 H new ATOM 0 HA LEU A 875 11.035 -6.210 11.499 1.00 0.00 H new ATOM 0 HB2 LEU A 875 12.157 -5.127 8.894 1.00 0.00 H new ATOM 0 HB3 LEU A 875 10.908 -6.354 8.962 1.00 0.00 H new ATOM 0 HG LEU A 875 10.619 -3.599 10.190 1.00 0.00 H new ATOM 0 HD11 LEU A 875 9.231 -3.059 8.228 1.00 0.00 H new ATOM 0 HD12 LEU A 875 10.915 -3.407 7.770 1.00 0.00 H new ATOM 0 HD13 LEU A 875 9.650 -4.630 7.505 1.00 0.00 H new ATOM 0 HD21 LEU A 875 8.219 -4.160 10.192 1.00 0.00 H new ATOM 0 HD22 LEU A 875 8.600 -5.773 9.544 1.00 0.00 H new ATOM 0 HD23 LEU A 875 9.166 -5.309 11.166 1.00 0.00 H new ATOM 1219 N ILE A 876 13.866 -7.090 10.028 1.00 0.00 N ATOM 1220 CA ILE A 876 14.753 -8.220 9.782 1.00 0.00 C ATOM 1221 C ILE A 876 15.004 -9.011 11.062 1.00 0.00 C ATOM 1222 O ILE A 876 15.020 -10.242 11.050 1.00 0.00 O ATOM 1223 CB ILE A 876 16.104 -7.760 9.203 1.00 0.00 C ATOM 1224 CG1 ILE A 876 15.891 -7.009 7.888 1.00 0.00 C ATOM 1225 CG2 ILE A 876 17.024 -8.954 8.995 1.00 0.00 C ATOM 1226 CD1 ILE A 876 17.137 -6.319 7.377 1.00 0.00 C ATOM 0 H ILE A 876 14.221 -6.194 9.694 1.00 0.00 H new ATOM 0 HA ILE A 876 14.254 -8.860 9.054 1.00 0.00 H new ATOM 0 HB ILE A 876 16.576 -7.082 9.914 1.00 0.00 H new ATOM 0 HG12 ILE A 876 15.538 -7.710 7.132 1.00 0.00 H new ATOM 0 HG13 ILE A 876 15.105 -6.266 8.026 1.00 0.00 H new ATOM 0 HG21 ILE A 876 17.975 -8.614 8.585 1.00 0.00 H new ATOM 0 HG22 ILE A 876 17.197 -9.451 9.950 1.00 0.00 H new ATOM 0 HG23 ILE A 876 16.560 -9.654 8.301 1.00 0.00 H new ATOM 0 HD11 ILE A 876 16.912 -5.807 6.442 1.00 0.00 H new ATOM 0 HD12 ILE A 876 17.479 -5.593 8.115 1.00 0.00 H new ATOM 0 HD13 ILE A 876 17.919 -7.059 7.206 1.00 0.00 H new ATOM 1238 N ASP A 877 15.197 -8.296 12.164 1.00 0.00 N ATOM 1239 CA ASP A 877 15.444 -8.930 13.454 1.00 0.00 C ATOM 1240 C ASP A 877 14.154 -9.504 14.033 1.00 0.00 C ATOM 1241 O ASP A 877 14.185 -10.315 14.959 1.00 0.00 O ATOM 1242 CB ASP A 877 16.054 -7.926 14.433 1.00 0.00 C ATOM 1243 CG ASP A 877 16.874 -8.597 15.516 1.00 0.00 C ATOM 1244 OD1 ASP A 877 17.400 -9.702 15.264 1.00 0.00 O ATOM 1245 OD2 ASP A 877 16.990 -8.019 16.617 1.00 0.00 O ATOM 0 H ASP A 877 15.187 -7.276 12.190 1.00 0.00 H new ATOM 0 HA ASP A 877 16.148 -9.748 13.300 1.00 0.00 H new ATOM 0 HB2 ASP A 877 16.685 -7.226 13.885 1.00 0.00 H new ATOM 0 HB3 ASP A 877 15.257 -7.343 14.894 1.00 0.00 H new ATOM 1250 N ARG A 878 13.023 -9.077 13.482 1.00 0.00 N ATOM 1251 CA ARG A 878 11.723 -9.547 13.945 1.00 0.00 C ATOM 1252 C ARG A 878 11.368 -10.886 13.304 1.00 0.00 C ATOM 1253 O ARG A 878 10.200 -11.165 13.033 1.00 0.00 O ATOM 1254 CB ARG A 878 10.640 -8.514 13.626 1.00 0.00 C ATOM 1255 CG ARG A 878 10.447 -7.477 14.720 1.00 0.00 C ATOM 1256 CD ARG A 878 11.421 -6.320 14.570 1.00 0.00 C ATOM 1257 NE ARG A 878 12.663 -6.551 15.303 1.00 0.00 N ATOM 1258 CZ ARG A 878 12.811 -6.294 16.597 1.00 0.00 C ATOM 1259 NH1 ARG A 878 11.800 -5.799 17.298 1.00 0.00 N ATOM 1260 NH2 ARG A 878 13.973 -6.531 17.193 1.00 0.00 N ATOM 0 H ARG A 878 12.980 -8.407 12.715 1.00 0.00 H new ATOM 0 HA ARG A 878 11.778 -9.684 15.025 1.00 0.00 H new ATOM 0 HB2 ARG A 878 10.897 -8.006 12.697 1.00 0.00 H new ATOM 0 HB3 ARG A 878 9.695 -9.031 13.456 1.00 0.00 H new ATOM 0 HG2 ARG A 878 9.425 -7.100 14.689 1.00 0.00 H new ATOM 0 HG3 ARG A 878 10.584 -7.945 15.695 1.00 0.00 H new ATOM 0 HD2 ARG A 878 11.646 -6.170 13.514 1.00 0.00 H new ATOM 0 HD3 ARG A 878 10.953 -5.403 14.929 1.00 0.00 H new ATOM 0 HE ARG A 878 13.460 -6.931 14.793 1.00 0.00 H new ATOM 0 HH11 ARG A 878 10.906 -5.615 16.843 1.00 0.00 H new ATOM 0 HH12 ARG A 878 11.917 -5.603 18.292 1.00 0.00 H new ATOM 0 HH21 ARG A 878 14.753 -6.911 16.657 1.00 0.00 H new ATOM 0 HH22 ARG A 878 14.086 -6.333 18.187 1.00 0.00 H new ATOM 1274 N ASP A 879 12.384 -11.708 13.064 1.00 0.00 N ATOM 1275 CA ASP A 879 12.180 -13.017 12.455 1.00 0.00 C ATOM 1276 C ASP A 879 11.312 -12.906 11.206 1.00 0.00 C ATOM 1277 O ASP A 879 10.513 -13.796 10.911 1.00 0.00 O ATOM 1278 CB ASP A 879 11.532 -13.974 13.457 1.00 0.00 C ATOM 1279 CG ASP A 879 12.080 -13.801 14.860 1.00 0.00 C ATOM 1280 OD1 ASP A 879 13.207 -14.272 15.119 1.00 0.00 O ATOM 1281 OD2 ASP A 879 11.381 -13.194 15.700 1.00 0.00 O ATOM 0 H ASP A 879 13.357 -11.491 13.282 1.00 0.00 H new ATOM 0 HA ASP A 879 13.154 -13.411 12.165 1.00 0.00 H new ATOM 0 HB2 ASP A 879 10.455 -13.809 13.468 1.00 0.00 H new ATOM 0 HB3 ASP A 879 11.694 -15.001 13.131 1.00 0.00 H new ATOM 1286 N TYR A 880 11.474 -11.809 10.475 1.00 0.00 N ATOM 1287 CA TYR A 880 10.703 -11.580 9.259 1.00 0.00 C ATOM 1288 C TYR A 880 11.594 -11.670 8.024 1.00 0.00 C ATOM 1289 O TYR A 880 11.188 -12.199 6.989 1.00 0.00 O ATOM 1290 CB TYR A 880 10.022 -10.211 9.312 1.00 0.00 C ATOM 1291 CG TYR A 880 8.826 -10.165 10.236 1.00 0.00 C ATOM 1292 CD1 TYR A 880 7.870 -11.172 10.218 1.00 0.00 C ATOM 1293 CD2 TYR A 880 8.653 -9.113 11.127 1.00 0.00 C ATOM 1294 CE1 TYR A 880 6.776 -11.134 11.060 1.00 0.00 C ATOM 1295 CE2 TYR A 880 7.562 -9.067 11.974 1.00 0.00 C ATOM 1296 CZ TYR A 880 6.626 -10.079 11.936 1.00 0.00 C ATOM 1297 OH TYR A 880 5.538 -10.037 12.778 1.00 0.00 O ATOM 0 H TYR A 880 12.132 -11.064 10.703 1.00 0.00 H new ATOM 0 HA TYR A 880 9.940 -12.355 9.191 1.00 0.00 H new ATOM 0 HB2 TYR A 880 10.749 -9.465 9.635 1.00 0.00 H new ATOM 0 HB3 TYR A 880 9.705 -9.933 8.307 1.00 0.00 H new ATOM 0 HD1 TYR A 880 7.984 -12.000 9.533 1.00 0.00 H new ATOM 0 HD2 TYR A 880 9.383 -8.318 11.158 1.00 0.00 H new ATOM 0 HE1 TYR A 880 6.042 -11.926 11.033 1.00 0.00 H new ATOM 0 HE2 TYR A 880 7.443 -8.243 12.662 1.00 0.00 H new ATOM 0 HH TYR A 880 5.583 -9.229 13.331 1.00 0.00 H new ATOM 1307 N MET A 881 12.811 -11.149 8.141 1.00 0.00 N ATOM 1308 CA MET A 881 13.761 -11.172 7.035 1.00 0.00 C ATOM 1309 C MET A 881 15.165 -11.505 7.531 1.00 0.00 C ATOM 1310 O MET A 881 15.478 -11.315 8.706 1.00 0.00 O ATOM 1311 CB MET A 881 13.769 -9.823 6.314 1.00 0.00 C ATOM 1312 CG MET A 881 12.414 -9.426 5.751 1.00 0.00 C ATOM 1313 SD MET A 881 11.834 -10.558 4.473 1.00 0.00 S ATOM 1314 CE MET A 881 12.742 -9.956 3.051 1.00 0.00 C ATOM 0 H MET A 881 13.162 -10.706 8.990 1.00 0.00 H new ATOM 0 HA MET A 881 13.448 -11.948 6.336 1.00 0.00 H new ATOM 0 HB2 MET A 881 14.105 -9.052 7.007 1.00 0.00 H new ATOM 0 HB3 MET A 881 14.494 -9.859 5.501 1.00 0.00 H new ATOM 0 HG2 MET A 881 11.684 -9.393 6.560 1.00 0.00 H new ATOM 0 HG3 MET A 881 12.477 -8.419 5.338 1.00 0.00 H new ATOM 0 HE1 MET A 881 12.045 -9.540 2.323 1.00 0.00 H new ATOM 0 HE2 MET A 881 13.441 -9.182 3.367 1.00 0.00 H new ATOM 0 HE3 MET A 881 13.293 -10.779 2.596 1.00 0.00 H new ATOM 1324 N GLU A 882 16.004 -12.002 6.629 1.00 0.00 N ATOM 1325 CA GLU A 882 17.374 -12.362 6.977 1.00 0.00 C ATOM 1326 C GLU A 882 18.360 -11.805 5.954 1.00 0.00 C ATOM 1327 O GLU A 882 18.066 -11.747 4.760 1.00 0.00 O ATOM 1328 CB GLU A 882 17.518 -13.883 7.065 1.00 0.00 C ATOM 1329 CG GLU A 882 17.326 -14.590 5.734 1.00 0.00 C ATOM 1330 CD GLU A 882 17.639 -16.072 5.810 1.00 0.00 C ATOM 1331 OE1 GLU A 882 16.953 -16.783 6.575 1.00 0.00 O ATOM 1332 OE2 GLU A 882 18.567 -16.521 5.107 1.00 0.00 O ATOM 0 H GLU A 882 15.760 -12.165 5.652 1.00 0.00 H new ATOM 0 HA GLU A 882 17.601 -11.926 7.950 1.00 0.00 H new ATOM 0 HB2 GLU A 882 18.507 -14.124 7.456 1.00 0.00 H new ATOM 0 HB3 GLU A 882 16.790 -14.268 7.780 1.00 0.00 H new ATOM 0 HG2 GLU A 882 16.297 -14.456 5.401 1.00 0.00 H new ATOM 0 HG3 GLU A 882 17.966 -14.125 4.984 1.00 0.00 H new ATOM 1339 N ARG A 883 19.530 -11.395 6.432 1.00 0.00 N ATOM 1340 CA ARG A 883 20.559 -10.840 5.560 1.00 0.00 C ATOM 1341 C ARG A 883 21.274 -11.947 4.791 1.00 0.00 C ATOM 1342 O ARG A 883 21.989 -12.761 5.375 1.00 0.00 O ATOM 1343 CB ARG A 883 21.572 -10.037 6.379 1.00 0.00 C ATOM 1344 CG ARG A 883 21.035 -8.704 6.874 1.00 0.00 C ATOM 1345 CD ARG A 883 22.156 -7.704 7.109 1.00 0.00 C ATOM 1346 NE ARG A 883 23.054 -8.132 8.179 1.00 0.00 N ATOM 1347 CZ ARG A 883 22.822 -7.907 9.467 1.00 0.00 C ATOM 1348 NH1 ARG A 883 21.727 -7.262 9.844 1.00 0.00 N ATOM 1349 NH2 ARG A 883 23.687 -8.327 10.382 1.00 0.00 N ATOM 0 H ARG A 883 19.789 -11.436 7.418 1.00 0.00 H new ATOM 0 HA ARG A 883 20.074 -10.177 4.843 1.00 0.00 H new ATOM 0 HB2 ARG A 883 21.888 -10.633 7.236 1.00 0.00 H new ATOM 0 HB3 ARG A 883 22.459 -9.859 5.771 1.00 0.00 H new ATOM 0 HG2 ARG A 883 20.333 -8.300 6.145 1.00 0.00 H new ATOM 0 HG3 ARG A 883 20.481 -8.855 7.800 1.00 0.00 H new ATOM 0 HD2 ARG A 883 22.725 -7.574 6.188 1.00 0.00 H new ATOM 0 HD3 ARG A 883 21.729 -6.733 7.360 1.00 0.00 H new ATOM 0 HE ARG A 883 23.906 -8.631 7.923 1.00 0.00 H new ATOM 0 HH11 ARG A 883 21.060 -6.937 9.144 1.00 0.00 H new ATOM 0 HH12 ARG A 883 21.551 -7.091 10.834 1.00 0.00 H new ATOM 0 HH21 ARG A 883 24.531 -8.823 10.096 1.00 0.00 H new ATOM 0 HH22 ARG A 883 23.508 -8.154 11.371 1.00 0.00 H new ATOM 1363 N ASP A 884 21.076 -11.970 3.478 1.00 0.00 N ATOM 1364 CA ASP A 884 21.702 -12.976 2.627 1.00 0.00 C ATOM 1365 C ASP A 884 23.171 -13.160 2.994 1.00 0.00 C ATOM 1366 O ASP A 884 23.912 -12.188 3.141 1.00 0.00 O ATOM 1367 CB ASP A 884 21.577 -12.581 1.155 1.00 0.00 C ATOM 1368 CG ASP A 884 21.551 -13.783 0.233 1.00 0.00 C ATOM 1369 OD1 ASP A 884 22.198 -14.799 0.564 1.00 0.00 O ATOM 1370 OD2 ASP A 884 20.885 -13.708 -0.820 1.00 0.00 O ATOM 0 H ASP A 884 20.487 -11.303 2.979 1.00 0.00 H new ATOM 0 HA ASP A 884 21.185 -13.922 2.786 1.00 0.00 H new ATOM 0 HB2 ASP A 884 20.666 -11.999 1.014 1.00 0.00 H new ATOM 0 HB3 ASP A 884 22.413 -11.936 0.883 1.00 0.00 H new ATOM 1375 N LYS A 885 23.586 -14.413 3.143 1.00 0.00 N ATOM 1376 CA LYS A 885 24.967 -14.726 3.493 1.00 0.00 C ATOM 1377 C LYS A 885 25.938 -14.061 2.523 1.00 0.00 C ATOM 1378 O LYS A 885 27.000 -13.586 2.923 1.00 0.00 O ATOM 1379 CB LYS A 885 25.185 -16.241 3.491 1.00 0.00 C ATOM 1380 CG LYS A 885 24.790 -16.914 4.794 1.00 0.00 C ATOM 1381 CD LYS A 885 25.776 -16.598 5.906 1.00 0.00 C ATOM 1382 CE LYS A 885 27.019 -17.470 5.813 1.00 0.00 C ATOM 1383 NZ LYS A 885 27.641 -17.693 7.147 1.00 0.00 N ATOM 0 H LYS A 885 22.985 -15.229 3.027 1.00 0.00 H new ATOM 0 HA LYS A 885 25.158 -14.339 4.494 1.00 0.00 H new ATOM 0 HB2 LYS A 885 24.611 -16.681 2.676 1.00 0.00 H new ATOM 0 HB3 LYS A 885 26.236 -16.448 3.289 1.00 0.00 H new ATOM 0 HG2 LYS A 885 23.793 -16.585 5.087 1.00 0.00 H new ATOM 0 HG3 LYS A 885 24.740 -17.993 4.647 1.00 0.00 H new ATOM 0 HD2 LYS A 885 26.062 -15.548 5.852 1.00 0.00 H new ATOM 0 HD3 LYS A 885 25.296 -16.749 6.873 1.00 0.00 H new ATOM 0 HE2 LYS A 885 26.756 -18.431 5.370 1.00 0.00 H new ATOM 0 HE3 LYS A 885 27.744 -17.000 5.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 885 28.485 -18.292 7.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 885 27.915 -16.778 7.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 885 26.958 -18.165 7.774 1.00 0.00 H new ATOM 1397 N GLU A 886 25.565 -14.029 1.248 1.00 0.00 N ATOM 1398 CA GLU A 886 26.404 -13.421 0.222 1.00 0.00 C ATOM 1399 C GLU A 886 26.699 -11.961 0.556 1.00 0.00 C ATOM 1400 O GLU A 886 27.856 -11.545 0.596 1.00 0.00 O ATOM 1401 CB GLU A 886 25.726 -13.515 -1.146 1.00 0.00 C ATOM 1402 CG GLU A 886 26.082 -14.775 -1.917 1.00 0.00 C ATOM 1403 CD GLU A 886 25.886 -14.620 -3.412 1.00 0.00 C ATOM 1404 OE1 GLU A 886 24.884 -13.996 -3.818 1.00 0.00 O ATOM 1405 OE2 GLU A 886 26.737 -15.122 -4.177 1.00 0.00 O ATOM 0 H GLU A 886 24.688 -14.417 0.901 1.00 0.00 H new ATOM 0 HA GLU A 886 27.347 -13.967 0.190 1.00 0.00 H new ATOM 0 HB2 GLU A 886 24.645 -13.476 -1.010 1.00 0.00 H new ATOM 0 HB3 GLU A 886 26.004 -12.645 -1.740 1.00 0.00 H new ATOM 0 HG2 GLU A 886 27.121 -15.038 -1.716 1.00 0.00 H new ATOM 0 HG3 GLU A 886 25.469 -15.601 -1.558 1.00 0.00 H new ATOM 1412 N ASN A 887 25.644 -11.190 0.793 1.00 0.00 N ATOM 1413 CA ASN A 887 25.789 -9.776 1.122 1.00 0.00 C ATOM 1414 C ASN A 887 24.667 -9.316 2.049 1.00 0.00 C ATOM 1415 O ASN A 887 23.506 -9.695 1.896 1.00 0.00 O ATOM 1416 CB ASN A 887 25.790 -8.932 -0.154 1.00 0.00 C ATOM 1417 CG ASN A 887 26.313 -7.528 0.083 1.00 0.00 C ATOM 1418 OD1 ASN A 887 25.558 -6.624 0.438 1.00 0.00 O ATOM 1419 ND2 ASN A 887 27.613 -7.341 -0.115 1.00 0.00 N ATOM 0 H ASN A 887 24.679 -11.520 0.764 1.00 0.00 H new ATOM 0 HA ASN A 887 26.740 -9.644 1.638 1.00 0.00 H new ATOM 0 HB2 ASN A 887 26.403 -9.422 -0.910 1.00 0.00 H new ATOM 0 HB3 ASN A 887 24.776 -8.877 -0.551 1.00 0.00 H new ATOM 0 HD21 ASN A 887 28.023 -6.418 0.027 1.00 0.00 H new ATOM 0 HD22 ASN A 887 28.201 -8.120 -0.409 1.00 0.00 H new ATOM 1426 N PRO A 888 25.021 -8.477 3.034 1.00 0.00 N ATOM 1427 CA PRO A 888 24.060 -7.946 4.005 1.00 0.00 C ATOM 1428 C PRO A 888 23.089 -6.952 3.375 1.00 0.00 C ATOM 1429 O PRO A 888 22.157 -6.484 4.026 1.00 0.00 O ATOM 1430 CB PRO A 888 24.947 -7.245 5.036 1.00 0.00 C ATOM 1431 CG PRO A 888 26.188 -6.891 4.291 1.00 0.00 C ATOM 1432 CD PRO A 888 26.387 -7.983 3.277 1.00 0.00 C ATOM 0 HA PRO A 888 23.431 -8.730 4.426 1.00 0.00 H new ATOM 0 HB2 PRO A 888 24.460 -6.357 5.438 1.00 0.00 H new ATOM 0 HB3 PRO A 888 25.165 -7.899 5.880 1.00 0.00 H new ATOM 0 HG2 PRO A 888 26.088 -5.920 3.805 1.00 0.00 H new ATOM 0 HG3 PRO A 888 27.042 -6.824 4.965 1.00 0.00 H new ATOM 0 HD2 PRO A 888 26.846 -7.604 2.364 1.00 0.00 H new ATOM 0 HD3 PRO A 888 27.037 -8.771 3.657 1.00 0.00 H new ATOM 1440 N ASN A 889 23.316 -6.636 2.104 1.00 0.00 N ATOM 1441 CA ASN A 889 22.461 -5.697 1.386 1.00 0.00 C ATOM 1442 C ASN A 889 21.202 -6.390 0.874 1.00 0.00 C ATOM 1443 O ASN A 889 20.203 -5.739 0.571 1.00 0.00 O ATOM 1444 CB ASN A 889 23.224 -5.072 0.217 1.00 0.00 C ATOM 1445 CG ASN A 889 24.343 -4.158 0.679 1.00 0.00 C ATOM 1446 OD1 ASN A 889 24.552 -3.973 1.878 1.00 0.00 O ATOM 1447 ND2 ASN A 889 25.066 -3.580 -0.273 1.00 0.00 N ATOM 0 H ASN A 889 24.084 -7.016 1.550 1.00 0.00 H new ATOM 0 HA ASN A 889 22.165 -4.910 2.080 1.00 0.00 H new ATOM 0 HB2 ASN A 889 23.639 -5.863 -0.407 1.00 0.00 H new ATOM 0 HB3 ASN A 889 22.530 -4.507 -0.405 1.00 0.00 H new ATOM 0 HD21 ASN A 889 25.831 -2.953 -0.023 1.00 0.00 H new ATOM 0 HD22 ASN A 889 24.857 -3.763 -1.254 1.00 0.00 H new ATOM 1454 N GLN A 890 21.259 -7.715 0.780 1.00 0.00 N ATOM 1455 CA GLN A 890 20.124 -8.496 0.305 1.00 0.00 C ATOM 1456 C GLN A 890 19.319 -9.054 1.474 1.00 0.00 C ATOM 1457 O GLN A 890 19.878 -9.420 2.507 1.00 0.00 O ATOM 1458 CB GLN A 890 20.604 -9.640 -0.591 1.00 0.00 C ATOM 1459 CG GLN A 890 19.487 -10.564 -1.049 1.00 0.00 C ATOM 1460 CD GLN A 890 18.859 -10.117 -2.355 1.00 0.00 C ATOM 1461 OE1 GLN A 890 17.970 -9.265 -2.370 1.00 0.00 O ATOM 1462 NE2 GLN A 890 19.319 -10.692 -3.460 1.00 0.00 N ATOM 0 H GLN A 890 22.079 -8.269 1.027 1.00 0.00 H new ATOM 0 HA GLN A 890 19.479 -7.836 -0.274 1.00 0.00 H new ATOM 0 HB2 GLN A 890 21.100 -9.221 -1.467 1.00 0.00 H new ATOM 0 HB3 GLN A 890 21.350 -10.224 -0.052 1.00 0.00 H new ATOM 0 HG2 GLN A 890 19.881 -11.574 -1.166 1.00 0.00 H new ATOM 0 HG3 GLN A 890 18.719 -10.609 -0.277 1.00 0.00 H new ATOM 0 HE21 GLN A 890 20.057 -11.394 -3.401 1.00 0.00 H new ATOM 0 HE22 GLN A 890 18.934 -10.432 -4.368 1.00 0.00 H new ATOM 1471 N TYR A 891 18.003 -9.115 1.303 1.00 0.00 N ATOM 1472 CA TYR A 891 17.120 -9.625 2.346 1.00 0.00 C ATOM 1473 C TYR A 891 16.279 -10.788 1.827 1.00 0.00 C ATOM 1474 O TYR A 891 15.753 -10.740 0.716 1.00 0.00 O ATOM 1475 CB TYR A 891 16.207 -8.511 2.861 1.00 0.00 C ATOM 1476 CG TYR A 891 16.953 -7.272 3.301 1.00 0.00 C ATOM 1477 CD1 TYR A 891 17.949 -7.343 4.267 1.00 0.00 C ATOM 1478 CD2 TYR A 891 16.662 -6.030 2.750 1.00 0.00 C ATOM 1479 CE1 TYR A 891 18.633 -6.213 4.672 1.00 0.00 C ATOM 1480 CE2 TYR A 891 17.342 -4.895 3.148 1.00 0.00 C ATOM 1481 CZ TYR A 891 18.326 -4.992 4.110 1.00 0.00 C ATOM 1482 OH TYR A 891 19.005 -3.864 4.510 1.00 0.00 O ATOM 0 H TYR A 891 17.524 -8.818 0.453 1.00 0.00 H new ATOM 0 HA TYR A 891 17.740 -9.986 3.167 1.00 0.00 H new ATOM 0 HB2 TYR A 891 15.500 -8.240 2.077 1.00 0.00 H new ATOM 0 HB3 TYR A 891 15.623 -8.890 3.699 1.00 0.00 H new ATOM 0 HD1 TYR A 891 18.193 -8.298 4.709 1.00 0.00 H new ATOM 0 HD2 TYR A 891 15.891 -5.951 1.998 1.00 0.00 H new ATOM 0 HE1 TYR A 891 19.404 -6.286 5.425 1.00 0.00 H new ATOM 0 HE2 TYR A 891 17.105 -3.937 2.709 1.00 0.00 H new ATOM 0 HH TYR A 891 18.669 -3.087 4.016 1.00 0.00 H new ATOM 1492 N ASN A 892 16.158 -11.832 2.641 1.00 0.00 N ATOM 1493 CA ASN A 892 15.381 -13.008 2.265 1.00 0.00 C ATOM 1494 C ASN A 892 14.139 -13.141 3.140 1.00 0.00 C ATOM 1495 O ASN A 892 14.115 -12.672 4.278 1.00 0.00 O ATOM 1496 CB ASN A 892 16.239 -14.269 2.382 1.00 0.00 C ATOM 1497 CG ASN A 892 17.567 -14.134 1.662 1.00 0.00 C ATOM 1498 OD1 ASN A 892 18.568 -13.613 2.361 1.00 0.00 O flip ATOM 1499 ND2 ASN A 892 17.691 -14.495 0.492 1.00 0.00 N flip ATOM 0 H ASN A 892 16.588 -11.888 3.564 1.00 0.00 H new ATOM 0 HA ASN A 892 15.063 -12.888 1.229 1.00 0.00 H new ATOM 0 HB2 ASN A 892 16.420 -14.485 3.435 1.00 0.00 H new ATOM 0 HB3 ASN A 892 15.691 -15.117 1.972 1.00 0.00 H new ATOM 0 HD21 ASN A 892 16.894 -14.890 -0.007 1.00 0.00 H new ATOM 0 HD22 ASN A 892 18.591 -14.399 0.021 1.00 0.00 H new ATOM 1506 N TYR A 893 13.109 -13.784 2.601 1.00 0.00 N ATOM 1507 CA TYR A 893 11.862 -13.978 3.331 1.00 0.00 C ATOM 1508 C TYR A 893 11.944 -15.205 4.233 1.00 0.00 C ATOM 1509 O TYR A 893 12.073 -16.333 3.755 1.00 0.00 O ATOM 1510 CB TYR A 893 10.693 -14.125 2.356 1.00 0.00 C ATOM 1511 CG TYR A 893 9.338 -13.945 3.003 1.00 0.00 C ATOM 1512 CD1 TYR A 893 8.999 -12.752 3.631 1.00 0.00 C ATOM 1513 CD2 TYR A 893 8.397 -14.967 2.987 1.00 0.00 C ATOM 1514 CE1 TYR A 893 7.763 -12.583 4.224 1.00 0.00 C ATOM 1515 CE2 TYR A 893 7.158 -14.806 3.577 1.00 0.00 C ATOM 1516 CZ TYR A 893 6.846 -13.613 4.194 1.00 0.00 C ATOM 1517 OH TYR A 893 5.613 -13.449 4.783 1.00 0.00 O ATOM 0 H TYR A 893 13.113 -14.180 1.661 1.00 0.00 H new ATOM 0 HA TYR A 893 11.697 -13.101 3.956 1.00 0.00 H new ATOM 0 HB2 TYR A 893 10.804 -13.393 1.556 1.00 0.00 H new ATOM 0 HB3 TYR A 893 10.738 -15.111 1.894 1.00 0.00 H new ATOM 0 HD1 TYR A 893 9.714 -11.943 3.656 1.00 0.00 H new ATOM 0 HD2 TYR A 893 8.638 -15.903 2.505 1.00 0.00 H new ATOM 0 HE1 TYR A 893 7.516 -11.650 4.708 1.00 0.00 H new ATOM 0 HE2 TYR A 893 6.438 -15.610 3.555 1.00 0.00 H new ATOM 0 HH TYR A 893 5.086 -14.268 4.672 1.00 0.00 H new ATOM 1527 N ILE A 894 11.868 -14.977 5.540 1.00 0.00 N ATOM 1528 CA ILE A 894 11.932 -16.064 6.510 1.00 0.00 C ATOM 1529 C ILE A 894 10.571 -16.307 7.153 1.00 0.00 C ATOM 1530 O ILE A 894 10.364 -17.314 7.828 1.00 0.00 O ATOM 1531 CB ILE A 894 12.965 -15.773 7.614 1.00 0.00 C ATOM 1532 CG1 ILE A 894 12.772 -14.358 8.163 1.00 0.00 C ATOM 1533 CG2 ILE A 894 14.378 -15.950 7.078 1.00 0.00 C ATOM 1534 CD1 ILE A 894 13.765 -13.988 9.243 1.00 0.00 C ATOM 0 H ILE A 894 11.762 -14.050 5.952 1.00 0.00 H new ATOM 0 HA ILE A 894 12.238 -16.957 5.965 1.00 0.00 H new ATOM 0 HB ILE A 894 12.814 -16.482 8.428 1.00 0.00 H new ATOM 0 HG12 ILE A 894 12.856 -13.644 7.343 1.00 0.00 H new ATOM 0 HG13 ILE A 894 11.762 -14.267 8.563 1.00 0.00 H new ATOM 0 HG21 ILE A 894 15.097 -15.741 7.870 1.00 0.00 H new ATOM 0 HG22 ILE A 894 14.510 -16.975 6.730 1.00 0.00 H new ATOM 0 HG23 ILE A 894 14.542 -15.262 6.249 1.00 0.00 H new ATOM 0 HD11 ILE A 894 13.569 -12.972 9.585 1.00 0.00 H new ATOM 0 HD12 ILE A 894 13.666 -14.679 10.080 1.00 0.00 H new ATOM 0 HD13 ILE A 894 14.777 -14.047 8.842 1.00 0.00 H new ATOM 1546 N ALA A 895 9.646 -15.377 6.938 1.00 0.00 N ATOM 1547 CA ALA A 895 8.304 -15.492 7.494 1.00 0.00 C ATOM 1548 C ALA A 895 7.423 -16.381 6.623 1.00 0.00 C ATOM 1549 O ALA A 895 7.778 -16.702 5.489 1.00 0.00 O ATOM 1550 CB ALA A 895 7.677 -14.114 7.649 1.00 0.00 C ATOM 0 H ALA A 895 9.802 -14.536 6.383 1.00 0.00 H new ATOM 0 HA ALA A 895 8.383 -15.956 8.477 1.00 0.00 H new ATOM 0 HB1 ALA A 895 6.675 -14.215 8.065 1.00 0.00 H new ATOM 0 HB2 ALA A 895 8.289 -13.509 8.318 1.00 0.00 H new ATOM 0 HB3 ALA A 895 7.618 -13.629 6.674 1.00 0.00 H new