USER MOD reduce.3.24.130724 H: found=0, std=0, add=483, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 485 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 46 TYR OH : rot 54:sc= 1.37 USER MOD Set 1.2: A 70 THR OG1 : rot 157:sc= 0.972 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl -171:sc= -0.934 (180deg=-1.24) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -170:sc= 0 USER MOD Single : A 77 SER OG : rot 88:sc= 0.477 USER MOD Single : A 78 SER OG : rot -17:sc= -0.0396 USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -145:sc= 0.374 (180deg=0.033) USER MOD ----------------------------------------------------------------- ATOM 368 N PHE A 27 3.580 -1.242 -1.568 1.00 0.00 N ATOM 369 CA PHE A 27 2.644 -0.411 -2.315 1.00 0.00 C ATOM 370 C PHE A 27 2.646 1.021 -1.787 1.00 0.00 C ATOM 371 O PHE A 27 2.250 1.275 -0.650 1.00 0.00 O ATOM 372 CB PHE A 27 1.232 -0.995 -2.233 1.00 0.00 C ATOM 373 CG PHE A 27 0.183 -0.117 -2.853 1.00 0.00 C ATOM 374 CD1 PHE A 27 0.014 -0.082 -4.228 1.00 0.00 C ATOM 375 CD2 PHE A 27 -0.635 0.673 -2.061 1.00 0.00 C ATOM 376 CE1 PHE A 27 -0.950 0.726 -4.801 1.00 0.00 C ATOM 377 CE2 PHE A 27 -1.601 1.482 -2.629 1.00 0.00 C ATOM 378 CZ PHE A 27 -1.759 1.508 -4.001 1.00 0.00 C ATOM 0 HA PHE A 27 2.963 -0.396 -3.357 1.00 0.00 H new ATOM 0 HB2 PHE A 27 1.220 -1.966 -2.727 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.979 -1.167 -1.187 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.643 -0.693 -4.859 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.516 0.656 -0.988 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -1.070 0.746 -5.874 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -2.232 2.093 -2.001 1.00 0.00 H new ATOM 0 HZ PHE A 27 -2.514 2.139 -4.447 1.00 0.00 H new ATOM 388 N ASP A 28 3.095 1.952 -2.622 1.00 0.00 N ATOM 389 CA ASP A 28 3.149 3.358 -2.240 1.00 0.00 C ATOM 390 C ASP A 28 2.090 4.165 -2.986 1.00 0.00 C ATOM 391 O ASP A 28 2.162 5.391 -3.054 1.00 0.00 O ATOM 392 CB ASP A 28 4.538 3.933 -2.523 1.00 0.00 C ATOM 393 CG ASP A 28 4.856 5.133 -1.653 1.00 0.00 C ATOM 394 OD1 ASP A 28 4.343 5.194 -0.516 1.00 0.00 O ATOM 395 OD2 ASP A 28 5.619 6.010 -2.109 1.00 0.00 O ATOM 0 H ASP A 28 3.427 1.758 -3.567 1.00 0.00 H new ATOM 0 HA ASP A 28 2.947 3.426 -1.171 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.288 3.160 -2.359 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.602 4.221 -3.572 1.00 0.00 H new ATOM 400 N GLY A 29 1.107 3.466 -3.546 1.00 0.00 N ATOM 401 CA GLY A 29 0.048 4.133 -4.281 1.00 0.00 C ATOM 402 C GLY A 29 -1.025 4.694 -3.370 1.00 0.00 C ATOM 403 O GLY A 29 -2.004 4.015 -3.060 1.00 0.00 O ATOM 0 H GLY A 29 1.025 2.450 -3.504 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.475 4.941 -4.875 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.404 3.429 -4.980 1.00 0.00 H new ATOM 407 N VAL A 30 -0.842 5.938 -2.938 1.00 0.00 N ATOM 408 CA VAL A 30 -1.803 6.590 -2.056 1.00 0.00 C ATOM 409 C VAL A 30 -3.231 6.177 -2.397 1.00 0.00 C ATOM 410 O VAL A 30 -3.614 6.136 -3.566 1.00 0.00 O ATOM 411 CB VAL A 30 -1.690 8.124 -2.139 1.00 0.00 C ATOM 412 CG1 VAL A 30 -2.810 8.785 -1.351 1.00 0.00 C ATOM 413 CG2 VAL A 30 -0.330 8.585 -1.638 1.00 0.00 C ATOM 0 H VAL A 30 -0.037 6.514 -3.184 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.568 6.270 -1.041 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.788 8.423 -3.183 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.714 9.868 -1.421 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.773 8.479 -1.760 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.747 8.482 -0.306 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.267 9.671 -1.704 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.200 8.276 -0.601 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.454 8.139 -2.250 1.00 0.00 H new ATOM 423 N VAL A 31 -4.015 5.873 -1.368 1.00 0.00 N ATOM 424 CA VAL A 31 -5.402 5.465 -1.558 1.00 0.00 C ATOM 425 C VAL A 31 -6.309 6.675 -1.750 1.00 0.00 C ATOM 426 O VAL A 31 -5.960 7.794 -1.371 1.00 0.00 O ATOM 427 CB VAL A 31 -5.912 4.639 -0.363 1.00 0.00 C ATOM 428 CG1 VAL A 31 -7.184 3.891 -0.735 1.00 0.00 C ATOM 429 CG2 VAL A 31 -4.838 3.674 0.115 1.00 0.00 C ATOM 0 H VAL A 31 -3.713 5.901 -0.394 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.431 4.847 -2.456 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.145 5.321 0.454 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.530 3.313 0.122 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.954 4.605 -1.025 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.980 3.218 -1.568 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.216 3.099 0.960 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.571 2.996 -0.696 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.956 4.235 0.424 1.00 0.00 H new ATOM 439 N LYS A 32 -7.477 6.444 -2.341 1.00 0.00 N ATOM 440 CA LYS A 32 -8.437 7.514 -2.582 1.00 0.00 C ATOM 441 C LYS A 32 -9.682 7.333 -1.719 1.00 0.00 C ATOM 442 O LYS A 32 -10.253 8.305 -1.224 1.00 0.00 O ATOM 443 CB LYS A 32 -8.830 7.551 -4.061 1.00 0.00 C ATOM 444 CG LYS A 32 -7.647 7.438 -5.007 1.00 0.00 C ATOM 445 CD LYS A 32 -6.778 8.684 -4.964 1.00 0.00 C ATOM 446 CE LYS A 32 -5.326 8.361 -5.284 1.00 0.00 C ATOM 447 NZ LYS A 32 -5.082 8.302 -6.752 1.00 0.00 N ATOM 0 H LYS A 32 -7.781 5.525 -2.662 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.965 8.459 -2.314 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.526 6.737 -4.264 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.360 8.482 -4.264 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -7.049 6.567 -4.741 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.007 7.279 -6.024 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.155 9.417 -5.678 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -6.841 9.140 -3.976 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -4.679 9.117 -4.838 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.058 7.406 -4.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -4.082 8.080 -6.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -5.681 7.564 -7.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -5.313 9.221 -7.180 1.00 0.00 H new ATOM 461 N ASP A 33 -10.096 6.084 -1.542 1.00 0.00 N ATOM 462 CA ASP A 33 -11.272 5.775 -0.736 1.00 0.00 C ATOM 463 C ASP A 33 -11.091 4.454 0.006 1.00 0.00 C ATOM 464 O ASP A 33 -10.096 3.756 -0.184 1.00 0.00 O ATOM 465 CB ASP A 33 -12.520 5.712 -1.619 1.00 0.00 C ATOM 466 CG ASP A 33 -12.801 7.027 -2.318 1.00 0.00 C ATOM 467 OD1 ASP A 33 -13.290 7.962 -1.650 1.00 0.00 O ATOM 468 OD2 ASP A 33 -12.532 7.122 -3.535 1.00 0.00 O ATOM 0 H ASP A 33 -9.635 5.268 -1.946 1.00 0.00 H new ATOM 0 HA ASP A 33 -11.397 6.570 -0.000 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -12.395 4.927 -2.365 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -13.380 5.437 -1.008 1.00 0.00 H new ATOM 473 N ALA A 34 -12.060 4.120 0.852 1.00 0.00 N ATOM 474 CA ALA A 34 -12.008 2.883 1.622 1.00 0.00 C ATOM 475 C ALA A 34 -12.026 1.665 0.705 1.00 0.00 C ATOM 476 O ALA A 34 -11.229 0.741 0.870 1.00 0.00 O ATOM 477 CB ALA A 34 -13.168 2.823 2.604 1.00 0.00 C ATOM 0 H ALA A 34 -12.890 4.688 1.022 1.00 0.00 H new ATOM 0 HA ALA A 34 -11.072 2.871 2.181 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -13.116 1.894 3.172 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -13.110 3.670 3.288 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -14.110 2.862 2.057 1.00 0.00 H new ATOM 483 N GLU A 35 -12.940 1.669 -0.261 1.00 0.00 N ATOM 484 CA GLU A 35 -13.061 0.563 -1.202 1.00 0.00 C ATOM 485 C GLU A 35 -11.731 0.293 -1.899 1.00 0.00 C ATOM 486 O GLU A 35 -11.266 -0.845 -1.952 1.00 0.00 O ATOM 487 CB GLU A 35 -14.142 0.865 -2.242 1.00 0.00 C ATOM 488 CG GLU A 35 -14.303 2.346 -2.540 1.00 0.00 C ATOM 489 CD GLU A 35 -14.799 2.608 -3.948 1.00 0.00 C ATOM 490 OE1 GLU A 35 -13.981 2.530 -4.889 1.00 0.00 O ATOM 491 OE2 GLU A 35 -16.005 2.890 -4.111 1.00 0.00 O ATOM 0 H GLU A 35 -13.607 2.426 -0.412 1.00 0.00 H new ATOM 0 HA GLU A 35 -13.345 -0.328 -0.641 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -13.901 0.341 -3.167 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -15.094 0.468 -1.890 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -15.001 2.782 -1.826 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -13.346 2.848 -2.397 1.00 0.00 H new ATOM 498 N GLU A 36 -11.124 1.349 -2.433 1.00 0.00 N ATOM 499 CA GLU A 36 -9.848 1.226 -3.129 1.00 0.00 C ATOM 500 C GLU A 36 -8.785 0.628 -2.212 1.00 0.00 C ATOM 501 O GLU A 36 -7.955 -0.172 -2.645 1.00 0.00 O ATOM 502 CB GLU A 36 -9.387 2.592 -3.640 1.00 0.00 C ATOM 503 CG GLU A 36 -8.066 2.547 -4.389 1.00 0.00 C ATOM 504 CD GLU A 36 -8.223 2.074 -5.821 1.00 0.00 C ATOM 505 OE1 GLU A 36 -8.912 1.055 -6.038 1.00 0.00 O ATOM 506 OE2 GLU A 36 -7.656 2.723 -6.725 1.00 0.00 O ATOM 0 H GLU A 36 -11.495 2.298 -2.397 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.989 0.558 -3.978 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -10.154 3.003 -4.297 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.293 3.274 -2.795 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.617 3.540 -4.386 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.378 1.884 -3.865 1.00 0.00 H new ATOM 513 N ALA A 37 -8.816 1.022 -0.943 1.00 0.00 N ATOM 514 CA ALA A 37 -7.857 0.525 0.035 1.00 0.00 C ATOM 515 C ALA A 37 -7.998 -0.982 0.226 1.00 0.00 C ATOM 516 O ALA A 37 -7.015 -1.682 0.464 1.00 0.00 O ATOM 517 CB ALA A 37 -8.036 1.246 1.363 1.00 0.00 C ATOM 0 H ALA A 37 -9.495 1.684 -0.568 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.854 0.725 -0.342 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.313 0.865 2.084 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.878 2.315 1.221 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -9.046 1.075 1.736 1.00 0.00 H new ATOM 523 N VAL A 38 -9.229 -1.474 0.120 1.00 0.00 N ATOM 524 CA VAL A 38 -9.498 -2.898 0.281 1.00 0.00 C ATOM 525 C VAL A 38 -8.931 -3.700 -0.885 1.00 0.00 C ATOM 526 O VAL A 38 -8.273 -4.722 -0.687 1.00 0.00 O ATOM 527 CB VAL A 38 -11.010 -3.174 0.392 1.00 0.00 C ATOM 528 CG1 VAL A 38 -11.282 -4.670 0.377 1.00 0.00 C ATOM 529 CG2 VAL A 38 -11.577 -2.533 1.649 1.00 0.00 C ATOM 0 H VAL A 38 -10.054 -0.908 -0.076 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.010 -3.210 1.204 1.00 0.00 H new ATOM 0 HB VAL A 38 -11.507 -2.730 -0.470 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.355 -4.846 0.456 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -10.912 -5.098 -0.555 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.774 -5.141 1.219 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -12.646 -2.738 1.712 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.077 -2.945 2.525 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.416 -1.456 1.613 1.00 0.00 H new ATOM 539 N ARG A 39 -9.189 -3.229 -2.101 1.00 0.00 N ATOM 540 CA ARG A 39 -8.704 -3.903 -3.299 1.00 0.00 C ATOM 541 C ARG A 39 -7.180 -3.975 -3.304 1.00 0.00 C ATOM 542 O ARG A 39 -6.597 -4.973 -3.728 1.00 0.00 O ATOM 543 CB ARG A 39 -9.195 -3.176 -4.553 1.00 0.00 C ATOM 544 CG ARG A 39 -10.657 -3.435 -4.874 1.00 0.00 C ATOM 545 CD ARG A 39 -11.005 -2.991 -6.286 1.00 0.00 C ATOM 546 NE ARG A 39 -10.275 -3.754 -7.295 1.00 0.00 N ATOM 547 CZ ARG A 39 -10.353 -3.512 -8.599 1.00 0.00 C ATOM 548 NH1 ARG A 39 -11.123 -2.531 -9.049 1.00 0.00 N ATOM 549 NH2 ARG A 39 -9.659 -4.251 -9.455 1.00 0.00 N ATOM 0 H ARG A 39 -9.731 -2.384 -2.282 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.098 -4.919 -3.298 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -9.045 -2.104 -4.424 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -8.585 -3.483 -5.403 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -10.872 -4.498 -4.762 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -11.287 -2.905 -4.159 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -12.077 -3.107 -6.449 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -10.778 -1.931 -6.399 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.672 -4.515 -6.981 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -11.657 -1.960 -8.394 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -11.181 -2.347 -10.051 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.065 -5.006 -9.112 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -9.720 -4.064 -10.456 1.00 0.00 H new ATOM 563 N ILE A 40 -6.541 -2.911 -2.830 1.00 0.00 N ATOM 564 CA ILE A 40 -5.086 -2.854 -2.779 1.00 0.00 C ATOM 565 C ILE A 40 -4.537 -3.774 -1.694 1.00 0.00 C ATOM 566 O ILE A 40 -3.637 -4.575 -1.942 1.00 0.00 O ATOM 567 CB ILE A 40 -4.587 -1.420 -2.520 1.00 0.00 C ATOM 568 CG1 ILE A 40 -5.012 -0.495 -3.663 1.00 0.00 C ATOM 569 CG2 ILE A 40 -3.075 -1.407 -2.355 1.00 0.00 C ATOM 570 CD1 ILE A 40 -5.035 0.968 -3.279 1.00 0.00 C ATOM 0 H ILE A 40 -7.008 -2.077 -2.476 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.724 -3.186 -3.752 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.036 -1.056 -1.596 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -4.330 -0.631 -4.503 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.004 -0.788 -4.007 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.738 -0.387 -2.173 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.796 -2.038 -1.511 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.607 -1.787 -3.263 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.345 1.565 -4.137 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.738 1.118 -2.460 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.039 1.277 -2.963 1.00 0.00 H new ATOM 582 N ALA A 41 -5.089 -3.655 -0.490 1.00 0.00 N ATOM 583 CA ALA A 41 -4.658 -4.479 0.632 1.00 0.00 C ATOM 584 C ALA A 41 -4.669 -5.959 0.264 1.00 0.00 C ATOM 585 O ALA A 41 -3.690 -6.671 0.486 1.00 0.00 O ATOM 586 CB ALA A 41 -5.545 -4.228 1.843 1.00 0.00 C ATOM 0 H ALA A 41 -5.835 -2.996 -0.268 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.634 -4.201 0.881 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.211 -4.850 2.674 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.483 -3.178 2.128 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.577 -4.476 1.596 1.00 0.00 H new ATOM 592 N ARG A 42 -5.783 -6.415 -0.300 1.00 0.00 N ATOM 593 CA ARG A 42 -5.922 -7.810 -0.697 1.00 0.00 C ATOM 594 C ARG A 42 -4.759 -8.241 -1.587 1.00 0.00 C ATOM 595 O ARG A 42 -4.260 -9.360 -1.474 1.00 0.00 O ATOM 596 CB ARG A 42 -7.246 -8.024 -1.433 1.00 0.00 C ATOM 597 CG ARG A 42 -8.465 -7.935 -0.530 1.00 0.00 C ATOM 598 CD ARG A 42 -9.746 -7.782 -1.336 1.00 0.00 C ATOM 599 NE ARG A 42 -10.263 -9.069 -1.792 1.00 0.00 N ATOM 600 CZ ARG A 42 -9.845 -9.680 -2.895 1.00 0.00 C ATOM 601 NH1 ARG A 42 -8.909 -9.123 -3.651 1.00 0.00 N ATOM 602 NH2 ARG A 42 -10.364 -10.850 -3.244 1.00 0.00 N ATOM 0 H ARG A 42 -6.602 -5.838 -0.492 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.913 -8.420 0.206 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.336 -7.281 -2.225 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.231 -9.002 -1.914 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -8.528 -8.831 0.088 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -8.356 -7.088 0.147 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.500 -7.284 -0.727 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.558 -7.141 -2.197 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.985 -9.524 -1.233 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -8.508 -8.223 -3.386 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.590 -9.594 -4.497 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.085 -11.281 -2.665 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.042 -11.318 -4.091 1.00 0.00 H new ATOM 616 N GLU A 43 -4.333 -7.344 -2.470 1.00 0.00 N ATOM 617 CA GLU A 43 -3.229 -7.632 -3.379 1.00 0.00 C ATOM 618 C GLU A 43 -1.915 -7.764 -2.615 1.00 0.00 C ATOM 619 O GLU A 43 -1.085 -8.617 -2.929 1.00 0.00 O ATOM 620 CB GLU A 43 -3.109 -6.533 -4.436 1.00 0.00 C ATOM 621 CG GLU A 43 -3.964 -6.778 -5.669 1.00 0.00 C ATOM 622 CD GLU A 43 -3.598 -5.865 -6.823 1.00 0.00 C ATOM 623 OE1 GLU A 43 -3.159 -4.726 -6.564 1.00 0.00 O ATOM 624 OE2 GLU A 43 -3.750 -6.292 -7.987 1.00 0.00 O ATOM 0 H GLU A 43 -4.735 -6.412 -2.576 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.438 -8.580 -3.874 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.393 -5.580 -3.991 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.066 -6.445 -4.739 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.854 -7.816 -5.983 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.014 -6.632 -5.414 1.00 0.00 H new ATOM 631 N ILE A 44 -1.733 -6.912 -1.611 1.00 0.00 N ATOM 632 CA ILE A 44 -0.521 -6.933 -0.802 1.00 0.00 C ATOM 633 C ILE A 44 -0.479 -8.166 0.093 1.00 0.00 C ATOM 634 O ILE A 44 0.592 -8.688 0.400 1.00 0.00 O ATOM 635 CB ILE A 44 -0.407 -5.672 0.074 1.00 0.00 C ATOM 636 CG1 ILE A 44 -0.386 -4.416 -0.800 1.00 0.00 C ATOM 637 CG2 ILE A 44 0.840 -5.741 0.943 1.00 0.00 C ATOM 638 CD1 ILE A 44 -0.173 -3.139 -0.018 1.00 0.00 C ATOM 0 H ILE A 44 -2.410 -6.199 -1.339 1.00 0.00 H new ATOM 0 HA ILE A 44 0.320 -6.961 -1.495 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.278 -5.622 0.727 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.405 -4.514 -1.543 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.328 -4.346 -1.344 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.906 -4.842 1.556 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.786 -6.618 1.588 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.723 -5.813 0.308 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.169 -2.290 -0.702 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.978 -3.018 0.707 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.782 -3.188 0.505 1.00 0.00 H new ATOM 650 N GLY A 45 -1.654 -8.630 0.509 1.00 0.00 N ATOM 651 CA GLY A 45 -1.730 -9.800 1.364 1.00 0.00 C ATOM 652 C GLY A 45 -1.741 -9.442 2.837 1.00 0.00 C ATOM 653 O GLY A 45 -0.731 -9.000 3.383 1.00 0.00 O ATOM 0 H GLY A 45 -2.555 -8.216 0.269 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.631 -10.364 1.124 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.881 -10.452 1.158 1.00 0.00 H new ATOM 657 N TYR A 46 -2.888 -9.631 3.481 1.00 0.00 N ATOM 658 CA TYR A 46 -3.028 -9.321 4.899 1.00 0.00 C ATOM 659 C TYR A 46 -2.093 -10.184 5.740 1.00 0.00 C ATOM 660 O TYR A 46 -1.717 -11.292 5.358 1.00 0.00 O ATOM 661 CB TYR A 46 -4.475 -9.531 5.347 1.00 0.00 C ATOM 662 CG TYR A 46 -5.447 -8.548 4.735 1.00 0.00 C ATOM 663 CD1 TYR A 46 -5.997 -8.774 3.479 1.00 0.00 C ATOM 664 CD2 TYR A 46 -5.817 -7.393 5.413 1.00 0.00 C ATOM 665 CE1 TYR A 46 -6.885 -7.878 2.916 1.00 0.00 C ATOM 666 CE2 TYR A 46 -6.706 -6.492 4.858 1.00 0.00 C ATOM 667 CZ TYR A 46 -7.236 -6.739 3.609 1.00 0.00 C ATOM 668 OH TYR A 46 -8.121 -5.845 3.052 1.00 0.00 O ATOM 0 H TYR A 46 -3.734 -9.997 3.044 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.757 -8.275 5.045 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -4.784 -10.544 5.087 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.526 -9.451 6.433 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.725 -9.666 2.934 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.403 -7.196 6.391 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -7.302 -8.069 1.938 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -6.984 -5.600 5.399 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.939 -6.316 2.788 1.00 0.00 H new ATOM 678 N PRO A 47 -1.708 -9.665 6.916 1.00 0.00 N ATOM 679 CA PRO A 47 -2.149 -8.347 7.381 1.00 0.00 C ATOM 680 C PRO A 47 -1.538 -7.211 6.568 1.00 0.00 C ATOM 681 O PRO A 47 -0.472 -7.365 5.971 1.00 0.00 O ATOM 682 CB PRO A 47 -1.652 -8.297 8.828 1.00 0.00 C ATOM 683 CG PRO A 47 -0.493 -9.232 8.862 1.00 0.00 C ATOM 684 CD PRO A 47 -0.813 -10.325 7.881 1.00 0.00 C ATOM 0 HA PRO A 47 -3.227 -8.219 7.281 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -1.354 -7.287 9.110 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.431 -8.606 9.525 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.429 -8.720 8.588 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.348 -9.637 9.864 1.00 0.00 H new ATOM 0 HD2 PRO A 47 0.086 -10.708 7.398 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -1.299 -11.171 8.366 1.00 0.00 H new ATOM 692 N VAL A 48 -2.219 -6.070 6.549 1.00 0.00 N ATOM 693 CA VAL A 48 -1.742 -4.907 5.810 1.00 0.00 C ATOM 694 C VAL A 48 -1.770 -3.654 6.679 1.00 0.00 C ATOM 695 O VAL A 48 -2.807 -3.297 7.237 1.00 0.00 O ATOM 696 CB VAL A 48 -2.586 -4.660 4.546 1.00 0.00 C ATOM 697 CG1 VAL A 48 -2.589 -5.894 3.656 1.00 0.00 C ATOM 698 CG2 VAL A 48 -4.005 -4.261 4.922 1.00 0.00 C ATOM 0 H VAL A 48 -3.103 -5.926 7.037 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.714 -5.119 5.516 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.138 -3.839 3.987 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.190 -5.701 2.768 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.567 -6.130 3.358 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.011 -6.737 4.204 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.587 -4.090 4.016 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.465 -5.059 5.504 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.981 -3.347 5.515 1.00 0.00 H new ATOM 708 N MET A 49 -0.624 -2.991 6.788 1.00 0.00 N ATOM 709 CA MET A 49 -0.518 -1.776 7.588 1.00 0.00 C ATOM 710 C MET A 49 -0.955 -0.556 6.784 1.00 0.00 C ATOM 711 O MET A 49 -0.804 -0.519 5.563 1.00 0.00 O ATOM 712 CB MET A 49 0.918 -1.588 8.082 1.00 0.00 C ATOM 713 CG MET A 49 1.201 -0.192 8.612 1.00 0.00 C ATOM 714 SD MET A 49 2.947 0.071 8.977 1.00 0.00 S ATOM 715 CE MET A 49 3.466 -1.597 9.372 1.00 0.00 C ATOM 0 H MET A 49 0.244 -3.274 6.333 1.00 0.00 H new ATOM 0 HA MET A 49 -1.180 -1.879 8.448 1.00 0.00 H new ATOM 0 HB2 MET A 49 1.121 -2.314 8.869 1.00 0.00 H new ATOM 0 HB3 MET A 49 1.606 -1.804 7.264 1.00 0.00 H new ATOM 0 HG2 MET A 49 0.872 0.544 7.879 1.00 0.00 H new ATOM 0 HG3 MET A 49 0.616 -0.025 9.516 1.00 0.00 H new ATOM 0 HE1 MET A 49 4.479 -1.577 9.773 1.00 0.00 H new ATOM 0 HE2 MET A 49 2.790 -2.022 10.114 1.00 0.00 H new ATOM 0 HE3 MET A 49 3.445 -2.208 8.470 1.00 0.00 H new ATOM 725 N ILE A 50 -1.498 0.440 7.477 1.00 0.00 N ATOM 726 CA ILE A 50 -1.956 1.662 6.827 1.00 0.00 C ATOM 727 C ILE A 50 -1.411 2.898 7.533 1.00 0.00 C ATOM 728 O ILE A 50 -1.727 3.153 8.696 1.00 0.00 O ATOM 729 CB ILE A 50 -3.494 1.739 6.793 1.00 0.00 C ATOM 730 CG1 ILE A 50 -4.075 0.479 6.149 1.00 0.00 C ATOM 731 CG2 ILE A 50 -3.945 2.982 6.041 1.00 0.00 C ATOM 732 CD1 ILE A 50 -5.456 0.124 6.655 1.00 0.00 C ATOM 0 H ILE A 50 -1.631 0.424 8.488 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.579 1.636 5.805 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.863 1.804 7.817 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.117 0.619 5.069 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.402 -0.358 6.336 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.034 3.023 6.025 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.556 3.870 6.539 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.569 2.945 5.019 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.805 -0.779 6.155 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.416 -0.048 7.731 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -6.143 0.944 6.444 1.00 0.00 H new ATOM 744 N LYS A 51 -0.591 3.666 6.823 1.00 0.00 N ATOM 745 CA LYS A 51 -0.004 4.879 7.380 1.00 0.00 C ATOM 746 C LYS A 51 -0.528 6.117 6.660 1.00 0.00 C ATOM 747 O LYS A 51 -1.203 6.012 5.636 1.00 0.00 O ATOM 748 CB LYS A 51 1.522 4.824 7.278 1.00 0.00 C ATOM 749 CG LYS A 51 2.100 3.443 7.535 1.00 0.00 C ATOM 750 CD LYS A 51 2.217 2.640 6.250 1.00 0.00 C ATOM 751 CE LYS A 51 3.568 2.851 5.583 1.00 0.00 C ATOM 752 NZ LYS A 51 4.600 1.917 6.112 1.00 0.00 N ATOM 0 H LYS A 51 -0.318 3.470 5.860 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.290 4.943 8.430 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.823 5.156 6.284 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.951 5.527 7.992 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.083 3.539 7.996 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.467 2.908 8.243 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.079 1.581 6.467 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.422 2.931 5.564 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.468 2.710 4.507 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.894 3.879 5.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.506 2.093 5.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.714 2.069 7.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.301 0.936 5.939 1.00 0.00 H new ATOM 766 N ALA A 52 -0.211 7.289 7.200 1.00 0.00 N ATOM 767 CA ALA A 52 -0.647 8.547 6.607 1.00 0.00 C ATOM 768 C ALA A 52 0.451 9.154 5.740 1.00 0.00 C ATOM 769 O ALA A 52 1.406 9.738 6.251 1.00 0.00 O ATOM 770 CB ALA A 52 -1.066 9.526 7.694 1.00 0.00 C ATOM 0 H ALA A 52 0.347 7.393 8.048 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.506 8.341 5.969 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.389 10.461 7.237 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.888 9.101 8.270 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.221 9.719 8.355 1.00 0.00 H new ATOM 776 N SER A 53 0.308 9.012 4.426 1.00 0.00 N ATOM 777 CA SER A 53 1.290 9.543 3.488 1.00 0.00 C ATOM 778 C SER A 53 1.807 10.901 3.954 1.00 0.00 C ATOM 779 O SER A 53 2.996 11.196 3.841 1.00 0.00 O ATOM 780 CB SER A 53 0.677 9.669 2.092 1.00 0.00 C ATOM 781 OG SER A 53 1.661 9.505 1.086 1.00 0.00 O ATOM 0 H SER A 53 -0.479 8.534 3.987 1.00 0.00 H new ATOM 0 HA SER A 53 2.129 8.849 3.447 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.105 8.920 1.966 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.203 10.645 1.986 1.00 0.00 H new ATOM 0 HG SER A 53 1.281 9.744 0.215 1.00 0.00 H new ATOM 787 N ALA A 54 0.904 11.723 4.478 1.00 0.00 N ATOM 788 CA ALA A 54 1.267 13.048 4.963 1.00 0.00 C ATOM 789 C ALA A 54 2.495 12.985 5.865 1.00 0.00 C ATOM 790 O ALA A 54 3.473 13.700 5.650 1.00 0.00 O ATOM 791 CB ALA A 54 0.097 13.678 5.704 1.00 0.00 C ATOM 0 H ALA A 54 -0.085 11.494 4.577 1.00 0.00 H new ATOM 0 HA ALA A 54 1.513 13.668 4.101 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.383 14.668 6.061 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.755 13.767 5.030 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.176 13.051 6.553 1.00 0.00 H new ATOM 871 N ARG A 62 -2.454 2.731 12.111 1.00 0.00 N ATOM 872 CA ARG A 62 -3.356 1.604 12.316 1.00 0.00 C ATOM 873 C ARG A 62 -3.097 0.506 11.290 1.00 0.00 C ATOM 874 O ARG A 62 -2.604 0.771 10.193 1.00 0.00 O ATOM 875 CB ARG A 62 -4.812 2.067 12.227 1.00 0.00 C ATOM 876 CG ARG A 62 -5.785 1.158 12.960 1.00 0.00 C ATOM 877 CD ARG A 62 -7.174 1.217 12.343 1.00 0.00 C ATOM 878 NE ARG A 62 -7.992 0.070 12.727 1.00 0.00 N ATOM 879 CZ ARG A 62 -8.465 -0.118 13.954 1.00 0.00 C ATOM 880 NH1 ARG A 62 -8.202 0.762 14.911 1.00 0.00 N ATOM 881 NH2 ARG A 62 -9.203 -1.187 14.226 1.00 0.00 N ATOM 0 HA ARG A 62 -3.170 1.198 13.311 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.890 3.074 12.636 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.102 2.126 11.178 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.417 0.132 12.934 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.839 1.450 14.009 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.670 2.136 12.654 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.087 1.253 11.257 1.00 0.00 H new ATOM 0 HE ARG A 62 -8.212 -0.625 12.014 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -7.636 1.585 14.705 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -8.566 0.616 15.852 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -9.408 -1.866 13.492 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -9.566 -1.330 15.169 1.00 0.00 H new ATOM 895 N ILE A 63 -3.430 -0.728 11.654 1.00 0.00 N ATOM 896 CA ILE A 63 -3.234 -1.866 10.765 1.00 0.00 C ATOM 897 C ILE A 63 -4.535 -2.633 10.558 1.00 0.00 C ATOM 898 O ILE A 63 -5.350 -2.752 11.473 1.00 0.00 O ATOM 899 CB ILE A 63 -2.164 -2.830 11.312 1.00 0.00 C ATOM 900 CG1 ILE A 63 -0.876 -2.068 11.633 1.00 0.00 C ATOM 901 CG2 ILE A 63 -1.892 -3.942 10.311 1.00 0.00 C ATOM 902 CD1 ILE A 63 0.085 -2.846 12.504 1.00 0.00 C ATOM 0 H ILE A 63 -3.837 -0.965 12.559 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.896 -1.465 9.809 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.537 -3.279 12.232 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.377 -1.805 10.700 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.131 -1.133 12.132 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.134 -4.615 10.712 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.811 -4.499 10.127 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.536 -3.510 9.376 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.975 -2.245 12.691 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.396 -3.086 13.452 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.370 -3.768 11.998 1.00 0.00 H new ATOM 914 N ALA A 64 -4.723 -3.154 9.350 1.00 0.00 N ATOM 915 CA ALA A 64 -5.923 -3.914 9.023 1.00 0.00 C ATOM 916 C ALA A 64 -5.581 -5.358 8.674 1.00 0.00 C ATOM 917 O ALA A 64 -4.573 -5.626 8.019 1.00 0.00 O ATOM 918 CB ALA A 64 -6.670 -3.253 7.874 1.00 0.00 C ATOM 0 H ALA A 64 -4.059 -3.063 8.581 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.567 -3.924 9.902 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.564 -3.831 7.641 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.957 -2.241 8.161 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.025 -3.212 6.996 1.00 0.00 H new ATOM 924 N TRP A 65 -6.424 -6.284 9.115 1.00 0.00 N ATOM 925 CA TRP A 65 -6.209 -7.702 8.849 1.00 0.00 C ATOM 926 C TRP A 65 -7.213 -8.222 7.826 1.00 0.00 C ATOM 927 O TRP A 65 -7.029 -9.296 7.252 1.00 0.00 O ATOM 928 CB TRP A 65 -6.319 -8.508 10.144 1.00 0.00 C ATOM 929 CG TRP A 65 -5.163 -8.298 11.074 1.00 0.00 C ATOM 930 CD1 TRP A 65 -4.990 -7.261 11.946 1.00 0.00 C ATOM 931 CD2 TRP A 65 -4.018 -9.145 11.223 1.00 0.00 C ATOM 932 NE1 TRP A 65 -3.806 -7.412 12.628 1.00 0.00 N ATOM 933 CE2 TRP A 65 -3.192 -8.560 12.203 1.00 0.00 C ATOM 934 CE3 TRP A 65 -3.611 -10.341 10.626 1.00 0.00 C ATOM 935 CZ2 TRP A 65 -1.985 -9.132 12.596 1.00 0.00 C ATOM 936 CZ3 TRP A 65 -2.413 -10.907 11.016 1.00 0.00 C ATOM 937 CH2 TRP A 65 -1.611 -10.303 11.994 1.00 0.00 C ATOM 0 H TRP A 65 -7.263 -6.079 9.658 1.00 0.00 H new ATOM 0 HA TRP A 65 -5.206 -7.821 8.440 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -7.242 -8.236 10.656 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -6.391 -9.568 9.899 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -5.682 -6.443 12.080 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -3.444 -6.773 13.336 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -4.223 -10.815 9.872 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -1.366 -8.668 13.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -2.089 -11.831 10.560 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -0.680 -10.771 12.278 1.00 0.00 H new ATOM 948 N ASP A 66 -8.275 -7.455 7.602 1.00 0.00 N ATOM 949 CA ASP A 66 -9.308 -7.838 6.647 1.00 0.00 C ATOM 950 C ASP A 66 -10.025 -6.608 6.100 1.00 0.00 C ATOM 951 O ASP A 66 -10.002 -5.540 6.712 1.00 0.00 O ATOM 952 CB ASP A 66 -10.316 -8.782 7.305 1.00 0.00 C ATOM 953 CG ASP A 66 -9.667 -9.714 8.308 1.00 0.00 C ATOM 954 OD1 ASP A 66 -9.039 -10.705 7.878 1.00 0.00 O ATOM 955 OD2 ASP A 66 -9.787 -9.453 9.523 1.00 0.00 O ATOM 0 H ASP A 66 -8.443 -6.564 8.069 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.827 -8.355 5.816 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -11.087 -8.195 7.805 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.814 -9.371 6.535 1.00 0.00 H new ATOM 960 N ASP A 67 -10.660 -6.766 4.944 1.00 0.00 N ATOM 961 CA ASP A 67 -11.385 -5.668 4.314 1.00 0.00 C ATOM 962 C ASP A 67 -12.092 -4.812 5.360 1.00 0.00 C ATOM 963 O ASP A 67 -11.901 -3.598 5.413 1.00 0.00 O ATOM 964 CB ASP A 67 -12.401 -6.211 3.308 1.00 0.00 C ATOM 965 CG ASP A 67 -11.827 -7.315 2.442 1.00 0.00 C ATOM 966 OD1 ASP A 67 -10.590 -7.355 2.275 1.00 0.00 O ATOM 967 OD2 ASP A 67 -12.615 -8.139 1.933 1.00 0.00 O ATOM 0 H ASP A 67 -10.688 -7.643 4.424 1.00 0.00 H new ATOM 0 HA ASP A 67 -10.663 -5.043 3.788 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -13.272 -6.589 3.844 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -12.748 -5.397 2.671 1.00 0.00 H new ATOM 972 N GLU A 68 -12.910 -5.455 6.188 1.00 0.00 N ATOM 973 CA GLU A 68 -13.647 -4.751 7.231 1.00 0.00 C ATOM 974 C GLU A 68 -12.727 -3.819 8.014 1.00 0.00 C ATOM 975 O GLU A 68 -13.066 -2.664 8.267 1.00 0.00 O ATOM 976 CB GLU A 68 -14.308 -5.751 8.182 1.00 0.00 C ATOM 977 CG GLU A 68 -13.357 -6.818 8.700 1.00 0.00 C ATOM 978 CD GLU A 68 -14.023 -7.767 9.678 1.00 0.00 C ATOM 979 OE1 GLU A 68 -14.968 -8.474 9.269 1.00 0.00 O ATOM 980 OE2 GLU A 68 -13.598 -7.803 10.851 1.00 0.00 O ATOM 0 H GLU A 68 -13.079 -6.460 6.157 1.00 0.00 H new ATOM 0 HA GLU A 68 -14.420 -4.150 6.752 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -14.730 -5.210 9.029 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -15.138 -6.235 7.667 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.962 -7.387 7.858 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.508 -6.338 9.186 1.00 0.00 H new ATOM 987 N GLU A 69 -11.560 -4.332 8.394 1.00 0.00 N ATOM 988 CA GLU A 69 -10.591 -3.546 9.149 1.00 0.00 C ATOM 989 C GLU A 69 -9.965 -2.466 8.272 1.00 0.00 C ATOM 990 O GLU A 69 -9.751 -1.336 8.714 1.00 0.00 O ATOM 991 CB GLU A 69 -9.499 -4.453 9.719 1.00 0.00 C ATOM 992 CG GLU A 69 -9.991 -5.388 10.810 1.00 0.00 C ATOM 993 CD GLU A 69 -8.865 -5.919 11.676 1.00 0.00 C ATOM 994 OE1 GLU A 69 -7.983 -5.122 12.058 1.00 0.00 O ATOM 995 OE2 GLU A 69 -8.867 -7.132 11.971 1.00 0.00 O ATOM 0 H GLU A 69 -11.264 -5.287 8.192 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.116 -3.061 9.972 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.072 -5.046 8.910 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.696 -3.833 10.118 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.710 -4.861 11.438 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.520 -6.225 10.354 1.00 0.00 H new ATOM 1002 N THR A 70 -9.672 -2.821 7.024 1.00 0.00 N ATOM 1003 CA THR A 70 -9.069 -1.884 6.085 1.00 0.00 C ATOM 1004 C THR A 70 -9.888 -0.602 5.984 1.00 0.00 C ATOM 1005 O THR A 70 -9.370 0.495 6.196 1.00 0.00 O ATOM 1006 CB THR A 70 -8.932 -2.505 4.682 1.00 0.00 C ATOM 1007 OG1 THR A 70 -8.179 -3.720 4.755 1.00 0.00 O ATOM 1008 CG2 THR A 70 -8.252 -1.537 3.726 1.00 0.00 C ATOM 0 H THR A 70 -9.843 -3.751 6.641 1.00 0.00 H new ATOM 0 HA THR A 70 -8.076 -1.648 6.468 1.00 0.00 H new ATOM 0 HB THR A 70 -9.932 -2.721 4.305 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.401 -4.289 3.989 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.166 -1.998 2.742 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.844 -0.625 3.650 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.258 -1.294 4.101 1.00 0.00 H new ATOM 1016 N ARG A 71 -11.168 -0.748 5.659 1.00 0.00 N ATOM 1017 CA ARG A 71 -12.059 0.399 5.530 1.00 0.00 C ATOM 1018 C ARG A 71 -12.186 1.141 6.857 1.00 0.00 C ATOM 1019 O ARG A 71 -12.034 2.361 6.915 1.00 0.00 O ATOM 1020 CB ARG A 71 -13.440 -0.052 5.051 1.00 0.00 C ATOM 1021 CG ARG A 71 -13.422 -0.723 3.687 1.00 0.00 C ATOM 1022 CD ARG A 71 -14.712 -1.483 3.423 1.00 0.00 C ATOM 1023 NE ARG A 71 -14.932 -1.710 1.997 1.00 0.00 N ATOM 1024 CZ ARG A 71 -16.079 -2.148 1.491 1.00 0.00 C ATOM 1025 NH1 ARG A 71 -17.106 -2.404 2.291 1.00 0.00 N ATOM 1026 NH2 ARG A 71 -16.202 -2.331 0.183 1.00 0.00 N ATOM 0 H ARG A 71 -11.611 -1.649 5.480 1.00 0.00 H new ATOM 0 HA ARG A 71 -11.631 1.079 4.793 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -13.861 -0.743 5.781 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -14.102 0.813 5.012 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -13.277 0.030 2.912 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -12.576 -1.408 3.629 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -14.681 -2.441 3.942 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -15.552 -0.924 3.835 1.00 0.00 H new ATOM 0 HE ARG A 71 -14.162 -1.522 1.355 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -17.016 -2.264 3.297 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -17.986 -2.740 1.900 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -15.415 -2.135 -0.436 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -17.084 -2.667 -0.204 1.00 0.00 H new ATOM 1040 N ASP A 72 -12.467 0.396 7.921 1.00 0.00 N ATOM 1041 CA ASP A 72 -12.615 0.982 9.248 1.00 0.00 C ATOM 1042 C ASP A 72 -11.359 1.751 9.645 1.00 0.00 C ATOM 1043 O ASP A 72 -11.435 2.780 10.315 1.00 0.00 O ATOM 1044 CB ASP A 72 -12.909 -0.107 10.280 1.00 0.00 C ATOM 1045 CG ASP A 72 -14.393 -0.374 10.434 1.00 0.00 C ATOM 1046 OD1 ASP A 72 -15.137 -0.173 9.451 1.00 0.00 O ATOM 1047 OD2 ASP A 72 -14.812 -0.783 11.537 1.00 0.00 O ATOM 0 H ASP A 72 -12.597 -0.615 7.890 1.00 0.00 H new ATOM 0 HA ASP A 72 -13.452 1.679 9.219 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -12.406 -1.028 9.985 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -12.494 0.188 11.244 1.00 0.00 H new ATOM 1052 N GLY A 73 -10.203 1.244 9.227 1.00 0.00 N ATOM 1053 CA GLY A 73 -8.947 1.895 9.549 1.00 0.00 C ATOM 1054 C GLY A 73 -8.626 3.036 8.604 1.00 0.00 C ATOM 1055 O GLY A 73 -7.972 4.006 8.989 1.00 0.00 O ATOM 0 H GLY A 73 -10.114 0.394 8.671 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -8.989 2.274 10.570 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.142 1.161 9.514 1.00 0.00 H new ATOM 1059 N PHE A 74 -9.085 2.920 7.362 1.00 0.00 N ATOM 1060 CA PHE A 74 -8.840 3.949 6.358 1.00 0.00 C ATOM 1061 C PHE A 74 -9.593 5.232 6.699 1.00 0.00 C ATOM 1062 O PHE A 74 -9.148 6.331 6.368 1.00 0.00 O ATOM 1063 CB PHE A 74 -9.260 3.450 4.974 1.00 0.00 C ATOM 1064 CG PHE A 74 -9.431 4.551 3.966 1.00 0.00 C ATOM 1065 CD1 PHE A 74 -10.599 5.294 3.923 1.00 0.00 C ATOM 1066 CD2 PHE A 74 -8.422 4.842 3.062 1.00 0.00 C ATOM 1067 CE1 PHE A 74 -10.759 6.308 2.998 1.00 0.00 C ATOM 1068 CE2 PHE A 74 -8.576 5.855 2.134 1.00 0.00 C ATOM 1069 CZ PHE A 74 -9.746 6.588 2.101 1.00 0.00 C ATOM 0 H PHE A 74 -9.628 2.124 7.027 1.00 0.00 H new ATOM 0 HA PHE A 74 -7.772 4.167 6.350 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -8.512 2.746 4.608 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -10.198 2.901 5.063 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -11.394 5.078 4.621 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.505 4.271 3.083 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -11.674 6.881 2.976 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -7.782 6.073 1.435 1.00 0.00 H new ATOM 0 HZ PHE A 74 -9.869 7.379 1.375 1.00 0.00 H new ATOM 1079 N ARG A 75 -10.735 5.082 7.361 1.00 0.00 N ATOM 1080 CA ARG A 75 -11.551 6.228 7.746 1.00 0.00 C ATOM 1081 C ARG A 75 -10.920 6.976 8.916 1.00 0.00 C ATOM 1082 O ARG A 75 -10.893 8.208 8.937 1.00 0.00 O ATOM 1083 CB ARG A 75 -12.963 5.773 8.119 1.00 0.00 C ATOM 1084 CG ARG A 75 -13.717 5.122 6.971 1.00 0.00 C ATOM 1085 CD ARG A 75 -15.118 4.704 7.389 1.00 0.00 C ATOM 1086 NE ARG A 75 -16.026 5.845 7.475 1.00 0.00 N ATOM 1087 CZ ARG A 75 -17.156 5.834 8.174 1.00 0.00 C ATOM 1088 NH1 ARG A 75 -17.514 4.747 8.844 1.00 0.00 N ATOM 1089 NH2 ARG A 75 -17.930 6.912 8.203 1.00 0.00 N ATOM 0 H ARG A 75 -11.117 4.179 7.642 1.00 0.00 H new ATOM 0 HA ARG A 75 -11.608 6.905 6.893 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -12.901 5.068 8.948 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -13.531 6.633 8.474 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -13.778 5.818 6.134 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.165 4.250 6.621 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -15.510 3.982 6.673 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -15.074 4.202 8.356 1.00 0.00 H new ATOM 0 HE ARG A 75 -15.779 6.697 6.971 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -16.921 3.917 8.823 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -18.382 4.741 9.380 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -17.657 7.749 7.688 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -18.797 6.903 8.740 1.00 0.00 H new ATOM 1103 N LEU A 76 -10.416 6.225 9.889 1.00 0.00 N ATOM 1104 CA LEU A 76 -9.785 6.817 11.063 1.00 0.00 C ATOM 1105 C LEU A 76 -8.393 7.343 10.728 1.00 0.00 C ATOM 1106 O LEU A 76 -7.988 8.404 11.202 1.00 0.00 O ATOM 1107 CB LEU A 76 -9.696 5.788 12.192 1.00 0.00 C ATOM 1108 CG LEU A 76 -10.951 4.951 12.437 1.00 0.00 C ATOM 1109 CD1 LEU A 76 -10.587 3.615 13.067 1.00 0.00 C ATOM 1110 CD2 LEU A 76 -11.933 5.708 13.319 1.00 0.00 C ATOM 0 H LEU A 76 -10.432 5.205 9.888 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.400 7.655 11.391 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -8.869 5.112 11.976 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.447 6.312 13.115 1.00 0.00 H new ATOM 0 HG LEU A 76 -11.429 4.759 11.477 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -11.493 3.033 13.234 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.922 3.067 12.400 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -10.085 3.786 14.019 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -12.821 5.097 13.483 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -11.464 5.931 14.277 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -12.219 6.639 12.829 1.00 0.00 H new ATOM 1122 N SER A 77 -7.666 6.594 9.905 1.00 0.00 N ATOM 1123 CA SER A 77 -6.318 6.983 9.507 1.00 0.00 C ATOM 1124 C SER A 77 -6.354 8.197 8.583 1.00 0.00 C ATOM 1125 O SER A 77 -5.395 8.966 8.513 1.00 0.00 O ATOM 1126 CB SER A 77 -5.613 5.818 8.810 1.00 0.00 C ATOM 1127 OG SER A 77 -5.342 4.767 9.721 1.00 0.00 O ATOM 0 H SER A 77 -7.988 5.714 9.501 1.00 0.00 H new ATOM 0 HA SER A 77 -5.762 7.249 10.406 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.236 5.446 7.996 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.681 6.167 8.365 1.00 0.00 H new ATOM 0 HG SER A 77 -6.115 4.166 9.766 1.00 0.00 H new ATOM 1133 N SER A 78 -7.468 8.362 7.876 1.00 0.00 N ATOM 1134 CA SER A 78 -7.629 9.479 6.953 1.00 0.00 C ATOM 1135 C SER A 78 -7.956 10.764 7.708 1.00 0.00 C ATOM 1136 O SER A 78 -7.330 11.801 7.489 1.00 0.00 O ATOM 1137 CB SER A 78 -8.732 9.175 5.938 1.00 0.00 C ATOM 1138 OG SER A 78 -9.962 8.902 6.588 1.00 0.00 O ATOM 0 H SER A 78 -8.272 7.736 7.925 1.00 0.00 H new ATOM 0 HA SER A 78 -6.687 9.619 6.423 1.00 0.00 H new ATOM 0 HB2 SER A 78 -8.854 10.023 5.264 1.00 0.00 H new ATOM 0 HB3 SER A 78 -8.443 8.320 5.327 1.00 0.00 H new ATOM 0 HG SER A 78 -9.795 8.700 7.532 1.00 0.00 H new ATOM 1144 N GLN A 79 -8.941 10.686 8.597 1.00 0.00 N ATOM 1145 CA GLN A 79 -9.353 11.843 9.384 1.00 0.00 C ATOM 1146 C GLN A 79 -8.182 12.399 10.188 1.00 0.00 C ATOM 1147 O GLN A 79 -8.099 13.603 10.428 1.00 0.00 O ATOM 1148 CB GLN A 79 -10.499 11.465 10.323 1.00 0.00 C ATOM 1149 CG GLN A 79 -10.040 10.761 11.590 1.00 0.00 C ATOM 1150 CD GLN A 79 -11.137 10.658 12.631 1.00 0.00 C ATOM 1151 OE1 GLN A 79 -12.295 10.984 12.364 1.00 0.00 O ATOM 1152 NE2 GLN A 79 -10.780 10.203 13.826 1.00 0.00 N ATOM 0 H GLN A 79 -9.468 9.835 8.790 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.697 12.616 8.696 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -11.046 12.367 10.596 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -11.196 10.818 9.790 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -9.689 9.760 11.338 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -9.192 11.299 12.013 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.810 9.944 14.004 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -11.476 10.112 14.566 1.00 0.00 H new ATOM 1161 N GLU A 80 -7.281 11.513 10.600 1.00 0.00 N ATOM 1162 CA GLU A 80 -6.116 11.917 11.379 1.00 0.00 C ATOM 1163 C GLU A 80 -5.189 12.804 10.552 1.00 0.00 C ATOM 1164 O GLU A 80 -5.056 13.998 10.817 1.00 0.00 O ATOM 1165 CB GLU A 80 -5.354 10.686 11.873 1.00 0.00 C ATOM 1166 CG GLU A 80 -5.970 10.041 13.103 1.00 0.00 C ATOM 1167 CD GLU A 80 -5.738 10.851 14.364 1.00 0.00 C ATOM 1168 OE1 GLU A 80 -4.663 10.698 14.979 1.00 0.00 O ATOM 1169 OE2 GLU A 80 -6.634 11.638 14.736 1.00 0.00 O ATOM 0 H GLU A 80 -7.335 10.513 10.408 1.00 0.00 H new ATOM 0 HA GLU A 80 -6.466 12.489 12.239 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -5.311 9.950 11.070 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.327 10.972 12.099 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.042 9.918 12.946 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.551 9.043 13.234 1.00 0.00 H new ATOM 1176 N ALA A 81 -4.551 12.210 9.548 1.00 0.00 N ATOM 1177 CA ALA A 81 -3.639 12.945 8.681 1.00 0.00 C ATOM 1178 C ALA A 81 -4.273 14.241 8.190 1.00 0.00 C ATOM 1179 O ALA A 81 -3.632 15.292 8.178 1.00 0.00 O ATOM 1180 CB ALA A 81 -3.220 12.080 7.502 1.00 0.00 C ATOM 0 H ALA A 81 -4.649 11.222 9.316 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.753 13.202 9.262 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.539 12.642 6.863 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.718 11.184 7.868 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.102 11.794 6.929 1.00 0.00 H new ATOM 1186 N ALA A 82 -5.536 14.160 7.785 1.00 0.00 N ATOM 1187 CA ALA A 82 -6.258 15.328 7.294 1.00 0.00 C ATOM 1188 C ALA A 82 -6.001 16.544 8.177 1.00 0.00 C ATOM 1189 O ALA A 82 -5.920 17.671 7.690 1.00 0.00 O ATOM 1190 CB ALA A 82 -7.748 15.034 7.217 1.00 0.00 C ATOM 0 H ALA A 82 -6.081 13.298 7.787 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.892 15.556 6.293 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -8.274 15.915 6.849 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -7.919 14.199 6.538 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -8.120 14.777 8.209 1.00 0.00 H new ATOM 1196 N SER A 83 -5.874 16.307 9.479 1.00 0.00 N ATOM 1197 CA SER A 83 -5.631 17.384 10.432 1.00 0.00 C ATOM 1198 C SER A 83 -4.203 17.324 10.967 1.00 0.00 C ATOM 1199 O SER A 83 -3.430 18.269 10.812 1.00 0.00 O ATOM 1200 CB SER A 83 -6.626 17.302 11.591 1.00 0.00 C ATOM 1201 OG SER A 83 -6.554 18.459 12.407 1.00 0.00 O ATOM 0 H SER A 83 -5.935 15.379 9.898 1.00 0.00 H new ATOM 0 HA SER A 83 -5.766 18.333 9.913 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.637 17.192 11.199 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.418 16.416 12.191 1.00 0.00 H new ATOM 0 HG SER A 83 -7.201 18.383 13.140 1.00 0.00 H new ATOM 1207 N SER A 84 -3.861 16.205 11.597 1.00 0.00 N ATOM 1208 CA SER A 84 -2.528 16.021 12.159 1.00 0.00 C ATOM 1209 C SER A 84 -1.473 16.694 11.285 1.00 0.00 C ATOM 1210 O SER A 84 -0.468 17.201 11.785 1.00 0.00 O ATOM 1211 CB SER A 84 -2.212 14.531 12.302 1.00 0.00 C ATOM 1212 OG SER A 84 -2.849 13.983 13.444 1.00 0.00 O ATOM 0 H SER A 84 -4.488 15.412 11.731 1.00 0.00 H new ATOM 0 HA SER A 84 -2.509 16.485 13.145 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.539 13.999 11.409 1.00 0.00 H new ATOM 0 HB3 SER A 84 -1.134 14.390 12.380 1.00 0.00 H new ATOM 0 HG SER A 84 -2.633 13.030 13.513 1.00 0.00 H new ATOM 1218 N PHE A 85 -1.709 16.694 9.978 1.00 0.00 N ATOM 1219 CA PHE A 85 -0.779 17.303 9.033 1.00 0.00 C ATOM 1220 C PHE A 85 -1.504 18.274 8.106 1.00 0.00 C ATOM 1221 O PHE A 85 -1.023 19.375 7.843 1.00 0.00 O ATOM 1222 CB PHE A 85 -0.075 16.223 8.209 1.00 0.00 C ATOM 1223 CG PHE A 85 0.524 15.127 9.044 1.00 0.00 C ATOM 1224 CD1 PHE A 85 1.669 15.355 9.791 1.00 0.00 C ATOM 1225 CD2 PHE A 85 -0.058 13.870 9.083 1.00 0.00 C ATOM 1226 CE1 PHE A 85 2.223 14.349 10.561 1.00 0.00 C ATOM 1227 CE2 PHE A 85 0.491 12.861 9.851 1.00 0.00 C ATOM 1228 CZ PHE A 85 1.634 13.100 10.590 1.00 0.00 C ATOM 0 H PHE A 85 -2.536 16.279 9.548 1.00 0.00 H new ATOM 0 HA PHE A 85 -0.034 17.859 9.602 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -0.789 15.787 7.510 1.00 0.00 H new ATOM 0 HB3 PHE A 85 0.712 16.687 7.614 1.00 0.00 H new ATOM 0 HD1 PHE A 85 2.134 16.330 9.771 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -0.951 13.677 8.507 1.00 0.00 H new ATOM 0 HE1 PHE A 85 3.115 14.540 11.139 1.00 0.00 H new ATOM 0 HE2 PHE A 85 0.027 11.886 9.874 1.00 0.00 H new ATOM 0 HZ PHE A 85 2.066 12.312 11.189 1.00 0.00 H new ATOM 1238 N GLY A 86 -2.666 17.855 7.612 1.00 0.00 N ATOM 1239 CA GLY A 86 -3.439 18.698 6.719 1.00 0.00 C ATOM 1240 C GLY A 86 -4.060 17.918 5.577 1.00 0.00 C ATOM 1241 O GLY A 86 -5.179 18.208 5.154 1.00 0.00 O ATOM 0 H GLY A 86 -3.085 16.947 7.814 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.226 19.196 7.285 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.795 19.479 6.314 1.00 0.00 H new ATOM 1245 N ASP A 87 -3.332 16.925 5.077 1.00 0.00 N ATOM 1246 CA ASP A 87 -3.818 16.101 3.977 1.00 0.00 C ATOM 1247 C ASP A 87 -4.347 14.765 4.491 1.00 0.00 C ATOM 1248 O ASP A 87 -3.966 14.309 5.569 1.00 0.00 O ATOM 1249 CB ASP A 87 -2.703 15.864 2.957 1.00 0.00 C ATOM 1250 CG ASP A 87 -2.504 17.047 2.031 1.00 0.00 C ATOM 1251 OD1 ASP A 87 -2.762 18.190 2.463 1.00 0.00 O ATOM 1252 OD2 ASP A 87 -2.090 16.830 0.873 1.00 0.00 O ATOM 0 H ASP A 87 -2.404 16.672 5.416 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.636 16.633 3.492 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.771 15.658 3.483 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.938 14.979 2.366 1.00 0.00 H new ATOM 1257 N ASP A 88 -5.227 14.144 3.713 1.00 0.00 N ATOM 1258 CA ASP A 88 -5.808 12.861 4.090 1.00 0.00 C ATOM 1259 C ASP A 88 -5.124 11.716 3.349 1.00 0.00 C ATOM 1260 O ASP A 88 -5.638 10.599 3.302 1.00 0.00 O ATOM 1261 CB ASP A 88 -7.309 12.850 3.795 1.00 0.00 C ATOM 1262 CG ASP A 88 -7.607 12.829 2.309 1.00 0.00 C ATOM 1263 OD1 ASP A 88 -7.240 13.801 1.616 1.00 0.00 O ATOM 1264 OD2 ASP A 88 -8.206 11.839 1.839 1.00 0.00 O ATOM 0 H ASP A 88 -5.553 14.508 2.818 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.655 12.721 5.160 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.762 11.978 4.266 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -7.771 13.730 4.243 1.00 0.00 H new ATOM 1269 N ARG A 89 -3.962 12.003 2.771 1.00 0.00 N ATOM 1270 CA ARG A 89 -3.208 10.998 2.031 1.00 0.00 C ATOM 1271 C ARG A 89 -2.860 9.812 2.925 1.00 0.00 C ATOM 1272 O ARG A 89 -2.323 9.983 4.021 1.00 0.00 O ATOM 1273 CB ARG A 89 -1.930 11.610 1.456 1.00 0.00 C ATOM 1274 CG ARG A 89 -2.179 12.818 0.567 1.00 0.00 C ATOM 1275 CD ARG A 89 -2.394 12.408 -0.882 1.00 0.00 C ATOM 1276 NE ARG A 89 -3.753 11.930 -1.120 1.00 0.00 N ATOM 1277 CZ ARG A 89 -4.183 11.494 -2.299 1.00 0.00 C ATOM 1278 NH1 ARG A 89 -3.364 11.476 -3.341 1.00 0.00 N ATOM 1279 NH2 ARG A 89 -5.434 11.075 -2.436 1.00 0.00 N ATOM 0 H ARG A 89 -3.522 12.923 2.801 1.00 0.00 H new ATOM 0 HA ARG A 89 -3.832 10.642 1.212 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.276 11.903 2.277 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -1.400 10.850 0.882 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -3.053 13.362 0.926 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -1.331 13.500 0.631 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -2.189 13.258 -1.533 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.683 11.625 -1.147 1.00 0.00 H new ATOM 0 HE ARG A 89 -4.408 11.931 -0.338 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -2.401 11.797 -3.239 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -3.696 11.141 -4.245 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -6.067 11.087 -1.636 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -5.764 10.740 -3.341 1.00 0.00 H new ATOM 1293 N LEU A 90 -3.168 8.610 2.451 1.00 0.00 N ATOM 1294 CA LEU A 90 -2.888 7.394 3.207 1.00 0.00 C ATOM 1295 C LEU A 90 -1.934 6.483 2.441 1.00 0.00 C ATOM 1296 O LEU A 90 -1.636 6.723 1.270 1.00 0.00 O ATOM 1297 CB LEU A 90 -4.188 6.648 3.512 1.00 0.00 C ATOM 1298 CG LEU A 90 -5.079 7.266 4.591 1.00 0.00 C ATOM 1299 CD1 LEU A 90 -6.081 6.244 5.105 1.00 0.00 C ATOM 1300 CD2 LEU A 90 -4.233 7.808 5.734 1.00 0.00 C ATOM 0 H LEU A 90 -3.612 8.451 1.546 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.412 7.681 4.145 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.766 6.574 2.591 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.938 5.631 3.814 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.631 8.095 4.149 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.706 6.701 5.872 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.708 5.903 4.281 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.548 5.394 5.531 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.883 8.244 6.493 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.654 6.996 6.175 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.555 8.572 5.354 1.00 0.00 H new ATOM 1312 N LEU A 91 -1.460 5.437 3.107 1.00 0.00 N ATOM 1313 CA LEU A 91 -0.541 4.487 2.488 1.00 0.00 C ATOM 1314 C LEU A 91 -0.845 3.062 2.939 1.00 0.00 C ATOM 1315 O LEU A 91 -1.493 2.850 3.964 1.00 0.00 O ATOM 1316 CB LEU A 91 0.905 4.847 2.834 1.00 0.00 C ATOM 1317 CG LEU A 91 1.539 5.958 1.996 1.00 0.00 C ATOM 1318 CD1 LEU A 91 2.947 6.258 2.486 1.00 0.00 C ATOM 1319 CD2 LEU A 91 1.554 5.573 0.524 1.00 0.00 C ATOM 0 H LEU A 91 -1.696 5.224 4.076 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.674 4.542 1.408 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.944 5.143 3.882 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.516 3.950 2.733 1.00 0.00 H new ATOM 0 HG LEU A 91 0.938 6.860 2.108 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.383 7.051 1.878 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.909 6.578 3.527 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.560 5.360 2.404 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.009 6.375 -0.057 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.131 4.658 0.393 1.00 0.00 H new ATOM 0 HD23 LEU A 91 0.533 5.410 0.180 1.00 0.00 H new ATOM 1331 N ILE A 92 -0.370 2.089 2.169 1.00 0.00 N ATOM 1332 CA ILE A 92 -0.588 0.685 2.491 1.00 0.00 C ATOM 1333 C ILE A 92 0.655 -0.147 2.194 1.00 0.00 C ATOM 1334 O ILE A 92 1.131 -0.185 1.060 1.00 0.00 O ATOM 1335 CB ILE A 92 -1.779 0.105 1.706 1.00 0.00 C ATOM 1336 CG1 ILE A 92 -3.023 0.973 1.910 1.00 0.00 C ATOM 1337 CG2 ILE A 92 -2.051 -1.328 2.138 1.00 0.00 C ATOM 1338 CD1 ILE A 92 -4.276 0.387 1.298 1.00 0.00 C ATOM 0 H ILE A 92 0.169 2.248 1.317 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.808 0.637 3.557 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.529 0.103 0.645 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.184 1.118 2.978 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.844 1.958 1.478 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.896 -1.724 1.574 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.169 -1.939 1.947 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.284 -1.349 3.203 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -5.117 1.055 1.481 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -4.135 0.268 0.224 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -4.480 -0.585 1.747 1.00 0.00 H new ATOM 1350 N GLU A 93 1.175 -0.812 3.221 1.00 0.00 N ATOM 1351 CA GLU A 93 2.362 -1.645 3.069 1.00 0.00 C ATOM 1352 C GLU A 93 2.139 -3.027 3.675 1.00 0.00 C ATOM 1353 O GLU A 93 1.283 -3.207 4.541 1.00 0.00 O ATOM 1354 CB GLU A 93 3.569 -0.975 3.729 1.00 0.00 C ATOM 1355 CG GLU A 93 4.193 0.124 2.885 1.00 0.00 C ATOM 1356 CD GLU A 93 5.165 -0.413 1.853 1.00 0.00 C ATOM 1357 OE1 GLU A 93 5.063 -1.609 1.508 1.00 0.00 O ATOM 1358 OE2 GLU A 93 6.029 0.362 1.391 1.00 0.00 O ATOM 0 H GLU A 93 0.793 -0.790 4.167 1.00 0.00 H new ATOM 0 HA GLU A 93 2.558 -1.763 2.003 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.262 -0.556 4.687 1.00 0.00 H new ATOM 0 HB3 GLU A 93 4.324 -1.732 3.940 1.00 0.00 H new ATOM 0 HG2 GLU A 93 3.404 0.681 2.380 1.00 0.00 H new ATOM 0 HG3 GLU A 93 4.712 0.827 3.537 1.00 0.00 H new ATOM 1365 N LYS A 94 2.915 -4.001 3.213 1.00 0.00 N ATOM 1366 CA LYS A 94 2.805 -5.368 3.708 1.00 0.00 C ATOM 1367 C LYS A 94 3.327 -5.473 5.137 1.00 0.00 C ATOM 1368 O LYS A 94 4.414 -4.986 5.449 1.00 0.00 O ATOM 1369 CB LYS A 94 3.579 -6.326 2.799 1.00 0.00 C ATOM 1370 CG LYS A 94 3.751 -7.716 3.386 1.00 0.00 C ATOM 1371 CD LYS A 94 2.489 -8.548 3.227 1.00 0.00 C ATOM 1372 CE LYS A 94 2.807 -10.033 3.145 1.00 0.00 C ATOM 1373 NZ LYS A 94 1.652 -10.820 2.632 1.00 0.00 N ATOM 0 H LYS A 94 3.628 -3.869 2.496 1.00 0.00 H new ATOM 0 HA LYS A 94 1.751 -5.645 3.704 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.060 -6.406 1.844 1.00 0.00 H new ATOM 0 HB3 LYS A 94 4.562 -5.903 2.593 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.584 -8.219 2.895 1.00 0.00 H new ATOM 0 HG3 LYS A 94 4.005 -7.637 4.443 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.822 -8.364 4.069 1.00 0.00 H new ATOM 0 HD3 LYS A 94 1.959 -8.238 2.327 1.00 0.00 H new ATOM 0 HE2 LYS A 94 3.668 -10.185 2.494 1.00 0.00 H new ATOM 0 HE3 LYS A 94 3.086 -10.400 4.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.627 -11.747 3.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 0.768 -10.308 2.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.753 -10.956 1.606 1.00 0.00 H new ATOM 1387 N PHE A 95 2.547 -6.113 6.002 1.00 0.00 N ATOM 1388 CA PHE A 95 2.931 -6.282 7.399 1.00 0.00 C ATOM 1389 C PHE A 95 3.310 -7.732 7.687 1.00 0.00 C ATOM 1390 O PHE A 95 2.499 -8.642 7.516 1.00 0.00 O ATOM 1391 CB PHE A 95 1.789 -5.849 8.320 1.00 0.00 C ATOM 1392 CG PHE A 95 2.113 -5.982 9.780 1.00 0.00 C ATOM 1393 CD1 PHE A 95 2.197 -7.232 10.373 1.00 0.00 C ATOM 1394 CD2 PHE A 95 2.336 -4.859 10.560 1.00 0.00 C ATOM 1395 CE1 PHE A 95 2.494 -7.357 11.717 1.00 0.00 C ATOM 1396 CE2 PHE A 95 2.634 -4.978 11.904 1.00 0.00 C ATOM 1397 CZ PHE A 95 2.714 -6.229 12.483 1.00 0.00 C ATOM 0 H PHE A 95 1.645 -6.523 5.760 1.00 0.00 H new ATOM 0 HA PHE A 95 3.800 -5.653 7.590 1.00 0.00 H new ATOM 0 HB2 PHE A 95 1.534 -4.811 8.106 1.00 0.00 H new ATOM 0 HB3 PHE A 95 0.906 -6.447 8.096 1.00 0.00 H new ATOM 0 HD1 PHE A 95 2.029 -8.118 9.778 1.00 0.00 H new ATOM 0 HD2 PHE A 95 2.276 -3.878 10.112 1.00 0.00 H new ATOM 0 HE1 PHE A 95 2.554 -8.336 12.168 1.00 0.00 H new ATOM 0 HE2 PHE A 95 2.804 -4.094 12.501 1.00 0.00 H new ATOM 0 HZ PHE A 95 2.948 -6.325 13.533 1.00 0.00 H new ATOM 1407 N ILE A 96 4.548 -7.937 8.124 1.00 0.00 N ATOM 1408 CA ILE A 96 5.035 -9.275 8.436 1.00 0.00 C ATOM 1409 C ILE A 96 5.798 -9.288 9.756 1.00 0.00 C ATOM 1410 O ILE A 96 6.833 -8.635 9.893 1.00 0.00 O ATOM 1411 CB ILE A 96 5.950 -9.816 7.321 1.00 0.00 C ATOM 1412 CG1 ILE A 96 5.372 -9.473 5.946 1.00 0.00 C ATOM 1413 CG2 ILE A 96 6.129 -11.320 7.466 1.00 0.00 C ATOM 1414 CD1 ILE A 96 6.252 -9.909 4.796 1.00 0.00 C ATOM 0 H ILE A 96 5.232 -7.194 8.270 1.00 0.00 H new ATOM 0 HA ILE A 96 4.159 -9.918 8.519 1.00 0.00 H new ATOM 0 HB ILE A 96 6.928 -9.343 7.412 1.00 0.00 H new ATOM 0 HG12 ILE A 96 4.394 -9.944 5.844 1.00 0.00 H new ATOM 0 HG13 ILE A 96 5.215 -8.396 5.885 1.00 0.00 H new ATOM 0 HG21 ILE A 96 6.778 -11.688 6.671 1.00 0.00 H new ATOM 0 HG22 ILE A 96 6.580 -11.541 8.434 1.00 0.00 H new ATOM 0 HG23 ILE A 96 5.158 -11.810 7.397 1.00 0.00 H new ATOM 0 HD11 ILE A 96 5.781 -9.634 3.852 1.00 0.00 H new ATOM 0 HD12 ILE A 96 7.222 -9.418 4.874 1.00 0.00 H new ATOM 0 HD13 ILE A 96 6.389 -10.990 4.832 1.00 0.00 H new