USER MOD reduce.3.24.130724 H: found=0, std=0, add=483, rem=0, adj=10 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 35:sc= 1.27 USER MOD Set 1.2: A 70 THR OG1 : rot 82:sc= 1.29 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl -169:sc= 0 (180deg=-0.18) USER MOD Single : A 51 LYS NZ :NH3+ 161:sc= -2.11 (180deg=-2.58) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 102:sc= 1.13 USER MOD Single : A 78 SER OG : rot 43:sc= -0.0238 USER MOD Single : A 79 GLN : amide:sc= -2.1 K(o=-2.1,f=-5!) USER MOD Single : A 83 SER OG : rot 180:sc= 0.00788 USER MOD Single : A 84 SER OG : rot 85:sc= 0.938 USER MOD Single : A 94 LYS NZ :NH3+ -151:sc= -0.171 (180deg=-0.901) USER MOD ----------------------------------------------------------------- ATOM 368 N PHE A 27 3.833 -1.490 -1.022 1.00 0.00 N ATOM 369 CA PHE A 27 3.026 -0.572 -1.818 1.00 0.00 C ATOM 370 C PHE A 27 3.153 0.856 -1.295 1.00 0.00 C ATOM 371 O PHE A 27 3.298 1.077 -0.092 1.00 0.00 O ATOM 372 CB PHE A 27 1.558 -1.005 -1.802 1.00 0.00 C ATOM 373 CG PHE A 27 0.652 -0.075 -2.557 1.00 0.00 C ATOM 374 CD1 PHE A 27 0.809 0.111 -3.921 1.00 0.00 C ATOM 375 CD2 PHE A 27 -0.359 0.611 -1.903 1.00 0.00 C ATOM 376 CE1 PHE A 27 -0.023 0.966 -4.618 1.00 0.00 C ATOM 377 CE2 PHE A 27 -1.195 1.467 -2.595 1.00 0.00 C ATOM 378 CZ PHE A 27 -1.027 1.644 -3.955 1.00 0.00 C ATOM 0 HA PHE A 27 3.394 -0.599 -2.844 1.00 0.00 H new ATOM 0 HB2 PHE A 27 1.477 -2.005 -2.229 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.218 -1.072 -0.769 1.00 0.00 H new ATOM 0 HD1 PHE A 27 1.591 -0.418 -4.445 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.495 0.475 -0.840 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.112 1.104 -5.681 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.978 1.997 -2.073 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.680 2.311 -4.498 1.00 0.00 H new ATOM 388 N ASP A 28 3.098 1.820 -2.207 1.00 0.00 N ATOM 389 CA ASP A 28 3.206 3.227 -1.839 1.00 0.00 C ATOM 390 C ASP A 28 2.061 4.036 -2.441 1.00 0.00 C ATOM 391 O ASP A 28 1.615 5.025 -1.862 1.00 0.00 O ATOM 392 CB ASP A 28 4.548 3.796 -2.303 1.00 0.00 C ATOM 393 CG ASP A 28 5.725 3.151 -1.598 1.00 0.00 C ATOM 394 OD1 ASP A 28 5.557 2.716 -0.440 1.00 0.00 O ATOM 395 OD2 ASP A 28 6.815 3.082 -2.205 1.00 0.00 O ATOM 0 H ASP A 28 2.979 1.653 -3.206 1.00 0.00 H new ATOM 0 HA ASP A 28 3.146 3.299 -0.753 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.648 3.651 -3.379 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.565 4.871 -2.123 1.00 0.00 H new ATOM 400 N GLY A 29 1.591 3.608 -3.609 1.00 0.00 N ATOM 401 CA GLY A 29 0.503 4.304 -4.270 1.00 0.00 C ATOM 402 C GLY A 29 -0.559 4.778 -3.298 1.00 0.00 C ATOM 403 O GLY A 29 -1.436 4.011 -2.902 1.00 0.00 O ATOM 0 H GLY A 29 1.944 2.792 -4.109 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.901 5.161 -4.814 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.047 3.642 -5.007 1.00 0.00 H new ATOM 407 N VAL A 30 -0.479 6.047 -2.909 1.00 0.00 N ATOM 408 CA VAL A 30 -1.440 6.623 -1.976 1.00 0.00 C ATOM 409 C VAL A 30 -2.865 6.220 -2.337 1.00 0.00 C ATOM 410 O VAL A 30 -3.228 6.168 -3.512 1.00 0.00 O ATOM 411 CB VAL A 30 -1.343 8.159 -1.948 1.00 0.00 C ATOM 412 CG1 VAL A 30 -1.878 8.752 -3.242 1.00 0.00 C ATOM 413 CG2 VAL A 30 -2.091 8.718 -0.747 1.00 0.00 C ATOM 0 H VAL A 30 0.242 6.696 -3.226 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.195 6.234 -0.988 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.293 8.437 -1.856 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.801 9.839 -3.203 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.295 8.377 -4.083 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.922 8.466 -3.369 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.012 9.805 -0.743 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.141 8.431 -0.806 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.657 8.319 0.170 1.00 0.00 H new ATOM 423 N VAL A 31 -3.671 5.938 -1.318 1.00 0.00 N ATOM 424 CA VAL A 31 -5.058 5.542 -1.528 1.00 0.00 C ATOM 425 C VAL A 31 -5.956 6.760 -1.710 1.00 0.00 C ATOM 426 O VAL A 31 -5.589 7.876 -1.342 1.00 0.00 O ATOM 427 CB VAL A 31 -5.586 4.700 -0.350 1.00 0.00 C ATOM 428 CG1 VAL A 31 -6.893 4.018 -0.725 1.00 0.00 C ATOM 429 CG2 VAL A 31 -4.545 3.677 0.081 1.00 0.00 C ATOM 0 H VAL A 31 -3.387 5.977 -0.339 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.081 4.939 -2.436 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.780 5.365 0.492 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.251 3.428 0.119 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.637 4.773 -0.981 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.729 3.364 -1.582 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.934 3.091 0.914 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.318 3.015 -0.754 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.636 4.192 0.393 1.00 0.00 H new ATOM 439 N LYS A 32 -7.135 6.539 -2.281 1.00 0.00 N ATOM 440 CA LYS A 32 -8.089 7.618 -2.511 1.00 0.00 C ATOM 441 C LYS A 32 -9.305 7.472 -1.602 1.00 0.00 C ATOM 442 O LYS A 32 -9.765 8.445 -1.004 1.00 0.00 O ATOM 443 CB LYS A 32 -8.531 7.631 -3.976 1.00 0.00 C ATOM 444 CG LYS A 32 -7.384 7.484 -4.959 1.00 0.00 C ATOM 445 CD LYS A 32 -6.582 8.769 -5.077 1.00 0.00 C ATOM 446 CE LYS A 32 -5.126 8.488 -5.416 1.00 0.00 C ATOM 447 NZ LYS A 32 -4.347 9.744 -5.602 1.00 0.00 N ATOM 0 H LYS A 32 -7.453 5.622 -2.593 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.596 8.562 -2.279 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.244 6.822 -4.139 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.056 8.564 -4.180 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.730 6.674 -4.637 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -7.776 7.207 -5.938 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.020 9.403 -5.848 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -6.638 9.322 -4.139 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -4.675 7.896 -4.619 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.074 7.890 -6.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.360 9.510 -5.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.761 10.298 -6.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -4.375 10.303 -4.725 1.00 0.00 H new ATOM 461 N ASP A 33 -9.820 6.252 -1.503 1.00 0.00 N ATOM 462 CA ASP A 33 -10.982 5.979 -0.664 1.00 0.00 C ATOM 463 C ASP A 33 -10.872 4.602 -0.015 1.00 0.00 C ATOM 464 O ASP A 33 -10.100 3.755 -0.462 1.00 0.00 O ATOM 465 CB ASP A 33 -12.266 6.065 -1.491 1.00 0.00 C ATOM 466 CG ASP A 33 -12.124 5.409 -2.851 1.00 0.00 C ATOM 467 OD1 ASP A 33 -12.061 4.162 -2.904 1.00 0.00 O ATOM 468 OD2 ASP A 33 -12.078 6.141 -3.861 1.00 0.00 O ATOM 0 H ASP A 33 -9.452 5.436 -1.993 1.00 0.00 H new ATOM 0 HA ASP A 33 -11.015 6.731 0.124 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -13.080 5.588 -0.944 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -12.541 7.112 -1.623 1.00 0.00 H new ATOM 473 N ALA A 34 -11.649 4.389 1.041 1.00 0.00 N ATOM 474 CA ALA A 34 -11.640 3.115 1.751 1.00 0.00 C ATOM 475 C ALA A 34 -11.754 1.945 0.781 1.00 0.00 C ATOM 476 O ALA A 34 -10.970 0.999 0.841 1.00 0.00 O ATOM 477 CB ALA A 34 -12.769 3.071 2.770 1.00 0.00 C ATOM 0 H ALA A 34 -12.293 5.081 1.424 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.689 3.026 2.275 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -12.750 2.115 3.293 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.642 3.880 3.489 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -13.725 3.187 2.259 1.00 0.00 H new ATOM 483 N GLU A 35 -12.737 2.016 -0.111 1.00 0.00 N ATOM 484 CA GLU A 35 -12.954 0.960 -1.093 1.00 0.00 C ATOM 485 C GLU A 35 -11.658 0.621 -1.823 1.00 0.00 C ATOM 486 O GLU A 35 -11.342 -0.549 -2.037 1.00 0.00 O ATOM 487 CB GLU A 35 -14.025 1.383 -2.102 1.00 0.00 C ATOM 488 CG GLU A 35 -15.352 1.752 -1.461 1.00 0.00 C ATOM 489 CD GLU A 35 -16.503 1.727 -2.449 1.00 0.00 C ATOM 490 OE1 GLU A 35 -16.573 0.777 -3.256 1.00 0.00 O ATOM 491 OE2 GLU A 35 -17.334 2.659 -2.413 1.00 0.00 O ATOM 0 H GLU A 35 -13.395 2.793 -0.174 1.00 0.00 H new ATOM 0 HA GLU A 35 -13.295 0.071 -0.563 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -13.658 2.235 -2.673 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -14.187 0.570 -2.810 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -15.563 1.060 -0.646 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -15.276 2.747 -1.023 1.00 0.00 H new ATOM 498 N GLU A 36 -10.912 1.654 -2.203 1.00 0.00 N ATOM 499 CA GLU A 36 -9.651 1.465 -2.910 1.00 0.00 C ATOM 500 C GLU A 36 -8.611 0.813 -2.003 1.00 0.00 C ATOM 501 O GLU A 36 -7.803 0.001 -2.452 1.00 0.00 O ATOM 502 CB GLU A 36 -9.124 2.806 -3.425 1.00 0.00 C ATOM 503 CG GLU A 36 -7.941 2.673 -4.370 1.00 0.00 C ATOM 504 CD GLU A 36 -8.364 2.548 -5.821 1.00 0.00 C ATOM 505 OE1 GLU A 36 -8.962 3.509 -6.349 1.00 0.00 O ATOM 506 OE2 GLU A 36 -8.099 1.490 -6.428 1.00 0.00 O ATOM 0 H GLU A 36 -11.159 2.629 -2.033 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.835 0.804 -3.757 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.930 3.331 -3.937 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.832 3.423 -2.575 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.292 3.542 -4.258 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.354 1.798 -4.090 1.00 0.00 H new ATOM 513 N ALA A 37 -8.638 1.175 -0.725 1.00 0.00 N ATOM 514 CA ALA A 37 -7.700 0.625 0.245 1.00 0.00 C ATOM 515 C ALA A 37 -7.938 -0.867 0.454 1.00 0.00 C ATOM 516 O ALA A 37 -7.011 -1.618 0.755 1.00 0.00 O ATOM 517 CB ALA A 37 -7.811 1.369 1.567 1.00 0.00 C ATOM 0 H ALA A 37 -9.300 1.847 -0.337 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.692 0.754 -0.148 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.105 0.948 2.282 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.584 2.424 1.411 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.824 1.270 1.956 1.00 0.00 H new ATOM 523 N VAL A 38 -9.188 -1.290 0.294 1.00 0.00 N ATOM 524 CA VAL A 38 -9.549 -2.692 0.465 1.00 0.00 C ATOM 525 C VAL A 38 -9.031 -3.538 -0.694 1.00 0.00 C ATOM 526 O VAL A 38 -8.537 -4.647 -0.493 1.00 0.00 O ATOM 527 CB VAL A 38 -11.075 -2.870 0.575 1.00 0.00 C ATOM 528 CG1 VAL A 38 -11.434 -4.344 0.686 1.00 0.00 C ATOM 529 CG2 VAL A 38 -11.618 -2.090 1.762 1.00 0.00 C ATOM 0 H VAL A 38 -9.968 -0.681 0.046 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.085 -3.028 1.392 1.00 0.00 H new ATOM 0 HB VAL A 38 -11.535 -2.476 -0.331 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.516 -4.450 0.763 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.079 -4.872 -0.199 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.964 -4.767 1.574 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -12.698 -2.227 1.824 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.153 -2.452 2.679 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.394 -1.031 1.635 1.00 0.00 H new ATOM 539 N ARG A 39 -9.149 -3.006 -1.906 1.00 0.00 N ATOM 540 CA ARG A 39 -8.694 -3.712 -3.097 1.00 0.00 C ATOM 541 C ARG A 39 -7.178 -3.885 -3.081 1.00 0.00 C ATOM 542 O ARG A 39 -6.670 -5.002 -3.188 1.00 0.00 O ATOM 543 CB ARG A 39 -9.117 -2.955 -4.358 1.00 0.00 C ATOM 544 CG ARG A 39 -10.624 -2.834 -4.518 1.00 0.00 C ATOM 545 CD ARG A 39 -10.991 -1.788 -5.558 1.00 0.00 C ATOM 546 NE ARG A 39 -12.432 -1.562 -5.622 1.00 0.00 N ATOM 547 CZ ARG A 39 -13.268 -2.338 -6.303 1.00 0.00 C ATOM 548 NH1 ARG A 39 -12.809 -3.385 -6.974 1.00 0.00 N ATOM 549 NH2 ARG A 39 -14.567 -2.067 -6.313 1.00 0.00 N ATOM 0 H ARG A 39 -9.556 -2.089 -2.089 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.156 -4.699 -3.101 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -8.681 -1.956 -4.336 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -8.707 -3.462 -5.231 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -11.039 -3.799 -4.809 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -11.073 -2.570 -3.560 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -10.487 -0.851 -5.323 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -10.630 -2.107 -6.536 1.00 0.00 H new ATOM 0 HE ARG A 39 -12.818 -0.765 -5.116 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -11.811 -3.597 -6.968 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -13.454 -3.979 -7.496 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -14.924 -1.262 -5.798 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -15.208 -2.663 -6.836 1.00 0.00 H new ATOM 563 N ILE A 40 -6.462 -2.774 -2.946 1.00 0.00 N ATOM 564 CA ILE A 40 -5.005 -2.804 -2.915 1.00 0.00 C ATOM 565 C ILE A 40 -4.497 -3.776 -1.856 1.00 0.00 C ATOM 566 O ILE A 40 -3.602 -4.580 -2.114 1.00 0.00 O ATOM 567 CB ILE A 40 -4.419 -1.407 -2.636 1.00 0.00 C ATOM 568 CG1 ILE A 40 -4.859 -0.420 -3.718 1.00 0.00 C ATOM 569 CG2 ILE A 40 -2.901 -1.475 -2.559 1.00 0.00 C ATOM 570 CD1 ILE A 40 -4.703 1.030 -3.314 1.00 0.00 C ATOM 0 H ILE A 40 -6.867 -1.842 -2.856 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.676 -3.138 -3.899 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.797 -1.056 -1.676 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -4.277 -0.601 -4.622 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.903 -0.609 -3.968 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.502 -0.480 -2.361 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.607 -2.150 -1.755 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.505 -1.844 -3.505 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.034 1.673 -4.130 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.307 1.228 -2.428 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.656 1.235 -3.093 1.00 0.00 H new ATOM 582 N ALA A 41 -5.077 -3.699 -0.663 1.00 0.00 N ATOM 583 CA ALA A 41 -4.687 -4.575 0.435 1.00 0.00 C ATOM 584 C ALA A 41 -4.759 -6.041 0.020 1.00 0.00 C ATOM 585 O ALA A 41 -3.764 -6.763 0.083 1.00 0.00 O ATOM 586 CB ALA A 41 -5.569 -4.325 1.649 1.00 0.00 C ATOM 0 H ALA A 41 -5.819 -3.038 -0.432 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.654 -4.349 0.698 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.266 -4.986 2.461 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.464 -3.288 1.967 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.609 -4.522 1.390 1.00 0.00 H new ATOM 592 N ARG A 42 -5.942 -6.473 -0.404 1.00 0.00 N ATOM 593 CA ARG A 42 -6.143 -7.854 -0.827 1.00 0.00 C ATOM 594 C ARG A 42 -5.004 -8.317 -1.730 1.00 0.00 C ATOM 595 O ARG A 42 -4.492 -9.426 -1.580 1.00 0.00 O ATOM 596 CB ARG A 42 -7.479 -7.995 -1.560 1.00 0.00 C ATOM 597 CG ARG A 42 -8.690 -7.820 -0.658 1.00 0.00 C ATOM 598 CD ARG A 42 -9.945 -7.518 -1.462 1.00 0.00 C ATOM 599 NE ARG A 42 -10.621 -8.736 -1.899 1.00 0.00 N ATOM 600 CZ ARG A 42 -10.271 -9.424 -2.980 1.00 0.00 C ATOM 601 NH1 ARG A 42 -9.256 -9.016 -3.729 1.00 0.00 N ATOM 602 NH2 ARG A 42 -10.935 -10.523 -3.313 1.00 0.00 N ATOM 0 H ARG A 42 -6.775 -5.888 -0.464 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.156 -8.483 0.063 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.524 -7.257 -2.361 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.525 -8.978 -2.029 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -8.842 -8.726 -0.071 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -8.505 -7.010 0.048 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.628 -6.921 -0.857 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.682 -6.917 -2.333 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.405 -9.078 -1.344 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -8.742 -8.172 -3.476 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.989 -9.546 -4.559 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.716 -10.841 -2.739 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.665 -11.050 -4.143 1.00 0.00 H new ATOM 616 N GLU A 43 -4.614 -7.460 -2.669 1.00 0.00 N ATOM 617 CA GLU A 43 -3.536 -7.784 -3.597 1.00 0.00 C ATOM 618 C GLU A 43 -2.215 -7.965 -2.855 1.00 0.00 C ATOM 619 O GLU A 43 -1.458 -8.896 -3.132 1.00 0.00 O ATOM 620 CB GLU A 43 -3.395 -6.684 -4.651 1.00 0.00 C ATOM 621 CG GLU A 43 -4.264 -6.902 -5.878 1.00 0.00 C ATOM 622 CD GLU A 43 -3.664 -7.899 -6.849 1.00 0.00 C ATOM 623 OE1 GLU A 43 -2.424 -8.051 -6.855 1.00 0.00 O ATOM 624 OE2 GLU A 43 -4.434 -8.529 -7.604 1.00 0.00 O ATOM 0 H GLU A 43 -5.027 -6.538 -2.807 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.786 -8.723 -4.092 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.652 -5.725 -4.200 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.352 -6.621 -4.961 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.247 -7.253 -5.564 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.413 -5.950 -6.387 1.00 0.00 H new ATOM 631 N ILE A 44 -1.945 -7.068 -1.912 1.00 0.00 N ATOM 632 CA ILE A 44 -0.717 -7.129 -1.129 1.00 0.00 C ATOM 633 C ILE A 44 -0.646 -8.418 -0.317 1.00 0.00 C ATOM 634 O ILE A 44 0.406 -9.050 -0.227 1.00 0.00 O ATOM 635 CB ILE A 44 -0.597 -5.927 -0.174 1.00 0.00 C ATOM 636 CG1 ILE A 44 -0.466 -4.627 -0.970 1.00 0.00 C ATOM 637 CG2 ILE A 44 0.592 -6.106 0.757 1.00 0.00 C ATOM 638 CD1 ILE A 44 -0.220 -3.411 -0.105 1.00 0.00 C ATOM 0 H ILE A 44 -2.560 -6.291 -1.672 1.00 0.00 H new ATOM 0 HA ILE A 44 0.110 -7.103 -1.838 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.502 -5.871 0.431 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.353 -4.728 -1.682 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.376 -4.472 -1.550 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.663 -5.248 1.426 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.460 -7.014 1.345 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.506 -6.184 0.169 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.138 -2.526 -0.736 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.050 -3.285 0.590 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.705 -3.544 0.455 1.00 0.00 H new ATOM 650 N GLY A 45 -1.774 -8.803 0.272 1.00 0.00 N ATOM 651 CA GLY A 45 -1.818 -10.016 1.067 1.00 0.00 C ATOM 652 C GLY A 45 -1.785 -9.735 2.556 1.00 0.00 C ATOM 653 O GLY A 45 -0.713 -9.574 3.141 1.00 0.00 O ATOM 0 H GLY A 45 -2.658 -8.297 0.213 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.724 -10.572 0.825 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.973 -10.652 0.802 1.00 0.00 H new ATOM 657 N TYR A 46 -2.960 -9.672 3.172 1.00 0.00 N ATOM 658 CA TYR A 46 -3.062 -9.404 4.601 1.00 0.00 C ATOM 659 C TYR A 46 -2.119 -10.304 5.393 1.00 0.00 C ATOM 660 O TYR A 46 -1.757 -11.399 4.962 1.00 0.00 O ATOM 661 CB TYR A 46 -4.500 -9.607 5.079 1.00 0.00 C ATOM 662 CG TYR A 46 -5.459 -8.547 4.584 1.00 0.00 C ATOM 663 CD1 TYR A 46 -5.552 -7.316 5.221 1.00 0.00 C ATOM 664 CD2 TYR A 46 -6.271 -8.778 3.480 1.00 0.00 C ATOM 665 CE1 TYR A 46 -6.427 -6.345 4.773 1.00 0.00 C ATOM 666 CE2 TYR A 46 -7.147 -7.812 3.024 1.00 0.00 C ATOM 667 CZ TYR A 46 -7.222 -6.597 3.674 1.00 0.00 C ATOM 668 OH TYR A 46 -8.094 -5.633 3.224 1.00 0.00 O ATOM 0 H TYR A 46 -3.856 -9.803 2.703 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.773 -8.367 4.771 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -4.850 -10.585 4.747 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.514 -9.617 6.169 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.930 -7.115 6.081 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -6.216 -9.728 2.970 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.488 -5.394 5.281 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -7.770 -8.007 2.163 1.00 0.00 H new ATOM 0 HH TYR A 46 -7.697 -4.746 3.355 1.00 0.00 H new ATOM 678 N PRO A 47 -1.711 -9.833 6.581 1.00 0.00 N ATOM 679 CA PRO A 47 -2.135 -8.531 7.104 1.00 0.00 C ATOM 680 C PRO A 47 -1.529 -7.368 6.325 1.00 0.00 C ATOM 681 O PRO A 47 -0.550 -7.538 5.598 1.00 0.00 O ATOM 682 CB PRO A 47 -1.613 -8.540 8.543 1.00 0.00 C ATOM 683 CG PRO A 47 -0.460 -9.483 8.522 1.00 0.00 C ATOM 684 CD PRO A 47 -0.804 -10.535 7.504 1.00 0.00 C ATOM 0 HA PRO A 47 -3.214 -8.393 7.028 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -1.304 -7.543 8.858 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.382 -8.871 9.241 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.462 -8.967 8.253 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.302 -9.928 9.504 1.00 0.00 H new ATOM 0 HD2 PRO A 47 0.084 -10.904 6.991 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -1.287 -11.397 7.964 1.00 0.00 H new ATOM 692 N VAL A 48 -2.118 -6.187 6.481 1.00 0.00 N ATOM 693 CA VAL A 48 -1.635 -4.995 5.793 1.00 0.00 C ATOM 694 C VAL A 48 -1.603 -3.794 6.732 1.00 0.00 C ATOM 695 O VAL A 48 -2.619 -3.424 7.318 1.00 0.00 O ATOM 696 CB VAL A 48 -2.513 -4.657 4.574 1.00 0.00 C ATOM 697 CG1 VAL A 48 -2.472 -5.786 3.556 1.00 0.00 C ATOM 698 CG2 VAL A 48 -3.942 -4.372 5.010 1.00 0.00 C ATOM 0 H VAL A 48 -2.930 -6.030 7.078 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.623 -5.213 5.453 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.116 -3.759 4.100 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.098 -5.529 2.702 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.446 -5.937 3.221 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.842 -6.703 4.014 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.549 -4.135 4.136 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.352 -5.250 5.509 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.951 -3.526 5.698 1.00 0.00 H new ATOM 708 N MET A 49 -0.427 -3.189 6.869 1.00 0.00 N ATOM 709 CA MET A 49 -0.263 -2.027 7.735 1.00 0.00 C ATOM 710 C MET A 49 -0.658 -0.746 7.008 1.00 0.00 C ATOM 711 O MET A 49 -0.187 -0.479 5.902 1.00 0.00 O ATOM 712 CB MET A 49 1.184 -1.927 8.220 1.00 0.00 C ATOM 713 CG MET A 49 1.456 -0.699 9.074 1.00 0.00 C ATOM 714 SD MET A 49 3.211 -0.304 9.186 1.00 0.00 S ATOM 715 CE MET A 49 3.863 -1.839 9.841 1.00 0.00 C ATOM 0 H MET A 49 0.425 -3.484 6.392 1.00 0.00 H new ATOM 0 HA MET A 49 -0.920 -2.151 8.596 1.00 0.00 H new ATOM 0 HB2 MET A 49 1.428 -2.820 8.795 1.00 0.00 H new ATOM 0 HB3 MET A 49 1.848 -1.913 7.356 1.00 0.00 H new ATOM 0 HG2 MET A 49 0.922 0.154 8.656 1.00 0.00 H new ATOM 0 HG3 MET A 49 1.060 -0.864 10.076 1.00 0.00 H new ATOM 0 HE1 MET A 49 4.898 -1.692 10.149 1.00 0.00 H new ATOM 0 HE2 MET A 49 3.269 -2.149 10.701 1.00 0.00 H new ATOM 0 HE3 MET A 49 3.819 -2.610 9.072 1.00 0.00 H new ATOM 725 N ILE A 50 -1.524 0.042 7.635 1.00 0.00 N ATOM 726 CA ILE A 50 -1.980 1.295 7.047 1.00 0.00 C ATOM 727 C ILE A 50 -1.414 2.494 7.800 1.00 0.00 C ATOM 728 O ILE A 50 -1.486 2.561 9.028 1.00 0.00 O ATOM 729 CB ILE A 50 -3.518 1.387 7.040 1.00 0.00 C ATOM 730 CG1 ILE A 50 -4.112 0.280 6.167 1.00 0.00 C ATOM 731 CG2 ILE A 50 -3.965 2.755 6.547 1.00 0.00 C ATOM 732 CD1 ILE A 50 -5.537 -0.076 6.529 1.00 0.00 C ATOM 0 H ILE A 50 -1.924 -0.165 8.550 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.618 1.311 6.019 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.880 1.254 8.060 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.078 0.594 5.124 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.491 -0.611 6.252 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.054 2.804 6.548 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.566 3.527 7.205 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.595 2.915 5.534 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.893 -0.867 5.869 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.575 -0.421 7.562 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -6.171 0.803 6.416 1.00 0.00 H new ATOM 744 N LYS A 51 -0.853 3.442 7.057 1.00 0.00 N ATOM 745 CA LYS A 51 -0.277 4.642 7.652 1.00 0.00 C ATOM 746 C LYS A 51 -0.762 5.895 6.930 1.00 0.00 C ATOM 747 O LYS A 51 -1.528 5.812 5.970 1.00 0.00 O ATOM 748 CB LYS A 51 1.251 4.574 7.608 1.00 0.00 C ATOM 749 CG LYS A 51 1.814 3.235 8.051 1.00 0.00 C ATOM 750 CD LYS A 51 3.126 2.923 7.351 1.00 0.00 C ATOM 751 CE LYS A 51 2.974 2.964 5.838 1.00 0.00 C ATOM 752 NZ LYS A 51 3.955 2.073 5.158 1.00 0.00 N ATOM 0 H LYS A 51 -0.785 3.402 6.040 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.603 4.694 8.691 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.586 4.781 6.592 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.660 5.359 8.245 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.969 3.243 9.130 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.091 2.447 7.839 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.885 3.641 7.661 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.477 1.937 7.656 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.962 2.664 5.566 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.108 3.987 5.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.630 1.874 4.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.883 2.541 5.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.038 1.181 5.686 1.00 0.00 H new ATOM 766 N ALA A 52 -0.311 7.054 7.397 1.00 0.00 N ATOM 767 CA ALA A 52 -0.696 8.323 6.793 1.00 0.00 C ATOM 768 C ALA A 52 0.398 8.846 5.868 1.00 0.00 C ATOM 769 O ALA A 52 1.526 9.085 6.299 1.00 0.00 O ATOM 770 CB ALA A 52 -1.011 9.348 7.873 1.00 0.00 C ATOM 0 H ALA A 52 0.322 7.140 8.192 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.591 8.155 6.195 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.297 10.291 7.407 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.832 8.985 8.491 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.130 9.503 8.495 1.00 0.00 H new ATOM 776 N SER A 53 0.057 9.020 4.595 1.00 0.00 N ATOM 777 CA SER A 53 1.012 9.510 3.608 1.00 0.00 C ATOM 778 C SER A 53 1.638 10.824 4.064 1.00 0.00 C ATOM 779 O SER A 53 2.849 11.018 3.957 1.00 0.00 O ATOM 780 CB SER A 53 0.325 9.702 2.255 1.00 0.00 C ATOM 781 OG SER A 53 1.240 9.517 1.188 1.00 0.00 O ATOM 0 H SER A 53 -0.873 8.829 4.223 1.00 0.00 H new ATOM 0 HA SER A 53 1.803 8.767 3.504 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.499 8.995 2.158 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.105 10.702 2.200 1.00 0.00 H new ATOM 0 HG SER A 53 0.776 9.643 0.334 1.00 0.00 H new ATOM 787 N ALA A 54 0.804 11.725 4.574 1.00 0.00 N ATOM 788 CA ALA A 54 1.275 13.020 5.049 1.00 0.00 C ATOM 789 C ALA A 54 2.462 12.860 5.992 1.00 0.00 C ATOM 790 O ALA A 54 3.367 13.694 6.013 1.00 0.00 O ATOM 791 CB ALA A 54 0.146 13.770 5.741 1.00 0.00 C ATOM 0 H ALA A 54 -0.201 11.581 4.669 1.00 0.00 H new ATOM 0 HA ALA A 54 1.606 13.598 4.186 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.511 14.735 6.091 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.672 13.925 5.038 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.211 13.188 6.590 1.00 0.00 H new ATOM 871 N ARG A 62 -2.689 2.499 12.293 1.00 0.00 N ATOM 872 CA ARG A 62 -3.423 1.272 12.580 1.00 0.00 C ATOM 873 C ARG A 62 -3.187 0.230 11.491 1.00 0.00 C ATOM 874 O ARG A 62 -2.908 0.571 10.342 1.00 0.00 O ATOM 875 CB ARG A 62 -4.919 1.566 12.705 1.00 0.00 C ATOM 876 CG ARG A 62 -5.670 0.552 13.553 1.00 0.00 C ATOM 877 CD ARG A 62 -7.167 0.608 13.291 1.00 0.00 C ATOM 878 NE ARG A 62 -7.884 -0.458 13.987 1.00 0.00 N ATOM 879 CZ ARG A 62 -9.187 -0.421 14.243 1.00 0.00 C ATOM 880 NH1 ARG A 62 -9.912 0.622 13.864 1.00 0.00 N ATOM 881 NH2 ARG A 62 -9.767 -1.430 14.881 1.00 0.00 N ATOM 0 HA ARG A 62 -3.058 0.872 13.526 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.051 2.558 13.138 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.360 1.592 11.709 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.299 -0.450 13.338 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.477 0.744 14.608 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.555 1.575 13.611 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.351 0.529 12.220 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.355 -1.275 14.293 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -9.470 1.400 13.374 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -10.912 0.647 14.062 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -9.212 -2.234 15.175 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -10.767 -1.401 15.078 1.00 0.00 H new ATOM 895 N ILE A 63 -3.302 -1.041 11.861 1.00 0.00 N ATOM 896 CA ILE A 63 -3.102 -2.133 10.916 1.00 0.00 C ATOM 897 C ILE A 63 -4.409 -2.869 10.642 1.00 0.00 C ATOM 898 O ILE A 63 -5.274 -2.963 11.512 1.00 0.00 O ATOM 899 CB ILE A 63 -2.057 -3.140 11.432 1.00 0.00 C ATOM 900 CG1 ILE A 63 -0.786 -2.410 11.872 1.00 0.00 C ATOM 901 CG2 ILE A 63 -1.739 -4.170 10.359 1.00 0.00 C ATOM 902 CD1 ILE A 63 0.220 -3.307 12.557 1.00 0.00 C ATOM 0 H ILE A 63 -3.533 -1.340 12.809 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.738 -1.687 9.990 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.471 -3.660 12.296 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.319 -1.953 11.000 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.058 -1.600 12.549 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.999 -4.874 10.739 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.648 -4.708 10.090 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.342 -3.666 9.478 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.095 -2.722 12.841 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.230 -3.744 13.449 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.521 -4.103 11.876 1.00 0.00 H new ATOM 914 N ALA A 64 -4.544 -3.390 9.427 1.00 0.00 N ATOM 915 CA ALA A 64 -5.744 -4.122 9.039 1.00 0.00 C ATOM 916 C ALA A 64 -5.410 -5.560 8.656 1.00 0.00 C ATOM 917 O ALA A 64 -4.344 -5.834 8.104 1.00 0.00 O ATOM 918 CB ALA A 64 -6.443 -3.415 7.887 1.00 0.00 C ATOM 0 H ALA A 64 -3.838 -3.319 8.695 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.417 -4.149 9.896 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.337 -3.972 7.607 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.724 -2.408 8.195 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.769 -3.358 7.032 1.00 0.00 H new ATOM 924 N TRP A 65 -6.327 -6.473 8.953 1.00 0.00 N ATOM 925 CA TRP A 65 -6.129 -7.884 8.640 1.00 0.00 C ATOM 926 C TRP A 65 -7.143 -8.360 7.606 1.00 0.00 C ATOM 927 O TRP A 65 -6.875 -9.286 6.840 1.00 0.00 O ATOM 928 CB TRP A 65 -6.240 -8.730 9.910 1.00 0.00 C ATOM 929 CG TRP A 65 -5.075 -8.565 10.838 1.00 0.00 C ATOM 930 CD1 TRP A 65 -4.840 -7.515 11.680 1.00 0.00 C ATOM 931 CD2 TRP A 65 -3.986 -9.476 11.016 1.00 0.00 C ATOM 932 NE1 TRP A 65 -3.670 -7.720 12.371 1.00 0.00 N ATOM 933 CE2 TRP A 65 -3.127 -8.916 11.982 1.00 0.00 C ATOM 934 CE3 TRP A 65 -3.653 -10.712 10.455 1.00 0.00 C ATOM 935 CZ2 TRP A 65 -1.959 -9.550 12.397 1.00 0.00 C ATOM 936 CZ3 TRP A 65 -2.493 -11.340 10.868 1.00 0.00 C ATOM 937 CH2 TRP A 65 -1.657 -10.759 11.831 1.00 0.00 C ATOM 0 H TRP A 65 -7.214 -6.262 9.410 1.00 0.00 H new ATOM 0 HA TRP A 65 -5.130 -8.001 8.221 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -7.156 -8.462 10.437 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -6.328 -9.780 9.632 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -5.479 -6.651 11.787 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -3.271 -7.085 13.062 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -4.291 -11.168 9.712 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -1.314 -9.104 13.139 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -2.226 -12.295 10.441 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -0.757 -11.275 12.132 1.00 0.00 H new ATOM 948 N ASP A 66 -8.309 -7.722 7.590 1.00 0.00 N ATOM 949 CA ASP A 66 -9.363 -8.081 6.649 1.00 0.00 C ATOM 950 C ASP A 66 -9.962 -6.835 6.004 1.00 0.00 C ATOM 951 O ASP A 66 -9.736 -5.715 6.465 1.00 0.00 O ATOM 952 CB ASP A 66 -10.458 -8.880 7.357 1.00 0.00 C ATOM 953 CG ASP A 66 -9.894 -9.931 8.293 1.00 0.00 C ATOM 954 OD1 ASP A 66 -9.028 -10.716 7.852 1.00 0.00 O ATOM 955 OD2 ASP A 66 -10.318 -9.968 9.467 1.00 0.00 O ATOM 0 H ASP A 66 -8.547 -6.954 8.218 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.923 -8.698 5.866 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -11.094 -8.198 7.922 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.091 -9.363 6.612 1.00 0.00 H new ATOM 960 N ASP A 67 -10.725 -7.036 4.936 1.00 0.00 N ATOM 961 CA ASP A 67 -11.357 -5.929 4.228 1.00 0.00 C ATOM 962 C ASP A 67 -12.061 -4.991 5.203 1.00 0.00 C ATOM 963 O ASP A 67 -11.782 -3.793 5.238 1.00 0.00 O ATOM 964 CB ASP A 67 -12.357 -6.459 3.198 1.00 0.00 C ATOM 965 CG ASP A 67 -13.271 -7.523 3.773 1.00 0.00 C ATOM 966 OD1 ASP A 67 -12.760 -8.586 4.183 1.00 0.00 O ATOM 967 OD2 ASP A 67 -14.497 -7.292 3.813 1.00 0.00 O ATOM 0 H ASP A 67 -10.921 -7.956 4.541 1.00 0.00 H new ATOM 0 HA ASP A 67 -10.578 -5.368 3.712 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -12.959 -5.632 2.821 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -11.814 -6.871 2.348 1.00 0.00 H new ATOM 972 N GLU A 68 -12.977 -5.545 5.992 1.00 0.00 N ATOM 973 CA GLU A 68 -13.722 -4.756 6.967 1.00 0.00 C ATOM 974 C GLU A 68 -12.779 -3.913 7.820 1.00 0.00 C ATOM 975 O GLU A 68 -13.114 -2.797 8.215 1.00 0.00 O ATOM 976 CB GLU A 68 -14.558 -5.671 7.864 1.00 0.00 C ATOM 977 CG GLU A 68 -13.841 -6.947 8.269 1.00 0.00 C ATOM 978 CD GLU A 68 -14.064 -8.080 7.285 1.00 0.00 C ATOM 979 OE1 GLU A 68 -14.723 -7.846 6.251 1.00 0.00 O ATOM 980 OE2 GLU A 68 -13.579 -9.200 7.551 1.00 0.00 O ATOM 0 H GLU A 68 -13.221 -6.535 5.975 1.00 0.00 H new ATOM 0 HA GLU A 68 -14.387 -4.086 6.422 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -14.843 -5.123 8.762 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -15.480 -5.932 7.344 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.773 -6.748 8.352 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -14.186 -7.255 9.256 1.00 0.00 H new ATOM 987 N GLU A 69 -11.598 -4.456 8.100 1.00 0.00 N ATOM 988 CA GLU A 69 -10.607 -3.755 8.908 1.00 0.00 C ATOM 989 C GLU A 69 -9.972 -2.614 8.119 1.00 0.00 C ATOM 990 O GLU A 69 -9.826 -1.499 8.623 1.00 0.00 O ATOM 991 CB GLU A 69 -9.524 -4.726 9.383 1.00 0.00 C ATOM 992 CG GLU A 69 -10.037 -5.787 10.343 1.00 0.00 C ATOM 993 CD GLU A 69 -8.924 -6.441 11.137 1.00 0.00 C ATOM 994 OE1 GLU A 69 -7.926 -5.754 11.438 1.00 0.00 O ATOM 995 OE2 GLU A 69 -9.052 -7.641 11.459 1.00 0.00 O ATOM 0 H GLU A 69 -11.305 -5.379 7.779 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.114 -3.335 9.777 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.081 -5.216 8.516 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.729 -4.161 9.870 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.752 -5.335 11.031 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.575 -6.551 9.781 1.00 0.00 H new ATOM 1002 N THR A 70 -9.593 -2.899 6.877 1.00 0.00 N ATOM 1003 CA THR A 70 -8.972 -1.899 6.018 1.00 0.00 C ATOM 1004 C THR A 70 -9.782 -0.608 6.002 1.00 0.00 C ATOM 1005 O THR A 70 -9.230 0.484 6.139 1.00 0.00 O ATOM 1006 CB THR A 70 -8.820 -2.415 4.574 1.00 0.00 C ATOM 1007 OG1 THR A 70 -7.906 -3.517 4.541 1.00 0.00 O ATOM 1008 CG2 THR A 70 -8.323 -1.310 3.654 1.00 0.00 C ATOM 0 H THR A 70 -9.706 -3.815 6.443 1.00 0.00 H new ATOM 0 HA THR A 70 -7.983 -1.699 6.430 1.00 0.00 H new ATOM 0 HB THR A 70 -9.799 -2.744 4.225 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.375 -4.339 4.797 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.223 -1.698 2.640 1.00 0.00 H new ATOM 0 HG22 THR A 70 -9.035 -0.485 3.659 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.354 -0.954 4.003 1.00 0.00 H new ATOM 1016 N ARG A 71 -11.094 -0.740 5.833 1.00 0.00 N ATOM 1017 CA ARG A 71 -11.980 0.417 5.799 1.00 0.00 C ATOM 1018 C ARG A 71 -12.028 1.105 7.160 1.00 0.00 C ATOM 1019 O ARG A 71 -11.711 2.289 7.279 1.00 0.00 O ATOM 1020 CB ARG A 71 -13.389 -0.005 5.379 1.00 0.00 C ATOM 1021 CG ARG A 71 -13.422 -0.834 4.105 1.00 0.00 C ATOM 1022 CD ARG A 71 -14.771 -1.511 3.916 1.00 0.00 C ATOM 1023 NE ARG A 71 -15.275 -2.086 5.160 1.00 0.00 N ATOM 1024 CZ ARG A 71 -16.560 -2.331 5.389 1.00 0.00 C ATOM 1025 NH1 ARG A 71 -17.466 -2.054 4.462 1.00 0.00 N ATOM 1026 NH2 ARG A 71 -16.940 -2.855 6.547 1.00 0.00 N ATOM 0 H ARG A 71 -11.566 -1.637 5.718 1.00 0.00 H new ATOM 0 HA ARG A 71 -11.587 1.123 5.068 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -13.844 -0.578 6.187 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -13.999 0.887 5.238 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -13.211 -0.194 3.248 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -12.636 -1.589 4.140 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -15.490 -0.786 3.535 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -14.681 -2.296 3.165 1.00 0.00 H new ATOM 0 HE ARG A 71 -14.603 -2.312 5.893 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -17.177 -1.652 3.570 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -18.452 -2.243 4.640 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -16.245 -3.070 7.262 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -17.927 -3.043 6.722 1.00 0.00 H new ATOM 1040 N ASP A 72 -12.428 0.357 8.182 1.00 0.00 N ATOM 1041 CA ASP A 72 -12.517 0.894 9.534 1.00 0.00 C ATOM 1042 C ASP A 72 -11.260 1.681 9.891 1.00 0.00 C ATOM 1043 O ASP A 72 -11.337 2.780 10.437 1.00 0.00 O ATOM 1044 CB ASP A 72 -12.729 -0.237 10.542 1.00 0.00 C ATOM 1045 CG ASP A 72 -14.194 -0.577 10.731 1.00 0.00 C ATOM 1046 OD1 ASP A 72 -14.910 -0.701 9.715 1.00 0.00 O ATOM 1047 OD2 ASP A 72 -14.626 -0.717 11.895 1.00 0.00 O ATOM 0 H ASP A 72 -12.696 -0.624 8.100 1.00 0.00 H new ATOM 0 HA ASP A 72 -13.371 1.571 9.574 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -12.194 -1.125 10.205 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -12.299 0.050 11.502 1.00 0.00 H new ATOM 1052 N GLY A 73 -10.101 1.109 9.578 1.00 0.00 N ATOM 1053 CA GLY A 73 -8.843 1.770 9.874 1.00 0.00 C ATOM 1054 C GLY A 73 -8.523 2.875 8.887 1.00 0.00 C ATOM 1055 O GLY A 73 -7.866 3.856 9.234 1.00 0.00 O ATOM 0 H GLY A 73 -10.011 0.200 9.125 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -8.883 2.186 10.881 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.039 1.035 9.865 1.00 0.00 H new ATOM 1059 N PHE A 74 -8.987 2.716 7.652 1.00 0.00 N ATOM 1060 CA PHE A 74 -8.744 3.707 6.610 1.00 0.00 C ATOM 1061 C PHE A 74 -9.513 4.994 6.894 1.00 0.00 C ATOM 1062 O PHE A 74 -9.014 6.094 6.653 1.00 0.00 O ATOM 1063 CB PHE A 74 -9.147 3.150 5.243 1.00 0.00 C ATOM 1064 CG PHE A 74 -9.230 4.198 4.170 1.00 0.00 C ATOM 1065 CD1 PHE A 74 -10.312 5.062 4.109 1.00 0.00 C ATOM 1066 CD2 PHE A 74 -8.226 4.319 3.222 1.00 0.00 C ATOM 1067 CE1 PHE A 74 -10.391 6.027 3.123 1.00 0.00 C ATOM 1068 CE2 PHE A 74 -8.300 5.283 2.235 1.00 0.00 C ATOM 1069 CZ PHE A 74 -9.384 6.137 2.184 1.00 0.00 C ATOM 0 H PHE A 74 -9.534 1.910 7.348 1.00 0.00 H new ATOM 0 HA PHE A 74 -7.678 3.935 6.602 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -8.426 2.390 4.942 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -10.114 2.655 5.332 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -11.102 4.980 4.840 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.377 3.653 3.255 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -11.239 6.694 3.087 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -7.510 5.369 1.503 1.00 0.00 H new ATOM 0 HZ PHE A 74 -9.444 6.889 1.412 1.00 0.00 H new ATOM 1079 N ARG A 75 -10.730 4.848 7.408 1.00 0.00 N ATOM 1080 CA ARG A 75 -11.569 5.998 7.723 1.00 0.00 C ATOM 1081 C ARG A 75 -10.924 6.862 8.803 1.00 0.00 C ATOM 1082 O ARG A 75 -10.924 8.090 8.713 1.00 0.00 O ATOM 1083 CB ARG A 75 -12.953 5.536 8.184 1.00 0.00 C ATOM 1084 CG ARG A 75 -13.719 4.759 7.126 1.00 0.00 C ATOM 1085 CD ARG A 75 -15.210 4.736 7.423 1.00 0.00 C ATOM 1086 NE ARG A 75 -15.891 5.918 6.901 1.00 0.00 N ATOM 1087 CZ ARG A 75 -16.087 6.141 5.606 1.00 0.00 C ATOM 1088 NH1 ARG A 75 -15.657 5.267 4.707 1.00 0.00 N ATOM 1089 NH2 ARG A 75 -16.715 7.240 5.209 1.00 0.00 N ATOM 0 H ARG A 75 -11.157 3.945 7.615 1.00 0.00 H new ATOM 0 HA ARG A 75 -11.676 6.596 6.818 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -12.842 4.913 9.071 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -13.538 6.407 8.478 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -13.549 5.209 6.148 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.341 3.738 7.078 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -15.653 3.841 6.987 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -15.364 4.675 8.500 1.00 0.00 H new ATOM 0 HE ARG A 75 -16.235 6.610 7.567 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -15.174 4.421 5.009 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -15.809 5.441 3.713 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -17.048 7.914 5.898 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -16.865 7.411 4.215 1.00 0.00 H new ATOM 1103 N LEU A 76 -10.375 6.212 9.823 1.00 0.00 N ATOM 1104 CA LEU A 76 -9.727 6.921 10.921 1.00 0.00 C ATOM 1105 C LEU A 76 -8.366 7.460 10.493 1.00 0.00 C ATOM 1106 O LEU A 76 -8.147 8.671 10.470 1.00 0.00 O ATOM 1107 CB LEU A 76 -9.564 5.993 12.127 1.00 0.00 C ATOM 1108 CG LEU A 76 -10.819 5.240 12.569 1.00 0.00 C ATOM 1109 CD1 LEU A 76 -10.446 4.027 13.408 1.00 0.00 C ATOM 1110 CD2 LEU A 76 -11.748 6.162 13.345 1.00 0.00 C ATOM 0 H LEU A 76 -10.365 5.196 9.913 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.359 7.764 11.201 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -8.789 5.262 11.896 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.204 6.584 12.969 1.00 0.00 H new ATOM 0 HG LEU A 76 -11.344 4.893 11.679 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -11.352 3.503 13.714 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.820 3.356 12.820 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.898 4.351 14.293 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -12.636 5.609 13.652 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -11.232 6.539 14.228 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -12.042 6.999 12.712 1.00 0.00 H new ATOM 1122 N SER A 77 -7.456 6.553 10.152 1.00 0.00 N ATOM 1123 CA SER A 77 -6.116 6.938 9.725 1.00 0.00 C ATOM 1124 C SER A 77 -6.166 8.164 8.817 1.00 0.00 C ATOM 1125 O SER A 77 -5.371 9.092 8.965 1.00 0.00 O ATOM 1126 CB SER A 77 -5.436 5.777 8.997 1.00 0.00 C ATOM 1127 OG SER A 77 -5.561 4.572 9.731 1.00 0.00 O ATOM 0 H SER A 77 -7.622 5.547 10.163 1.00 0.00 H new ATOM 0 HA SER A 77 -5.537 7.189 10.613 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.880 5.653 8.009 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.381 6.006 8.845 1.00 0.00 H new ATOM 0 HG SER A 77 -6.271 4.022 9.338 1.00 0.00 H new ATOM 1133 N SER A 78 -7.105 8.158 7.877 1.00 0.00 N ATOM 1134 CA SER A 78 -7.258 9.266 6.942 1.00 0.00 C ATOM 1135 C SER A 78 -7.582 10.561 7.682 1.00 0.00 C ATOM 1136 O SER A 78 -6.963 11.597 7.440 1.00 0.00 O ATOM 1137 CB SER A 78 -8.359 8.956 5.926 1.00 0.00 C ATOM 1138 OG SER A 78 -8.265 9.807 4.797 1.00 0.00 O ATOM 0 H SER A 78 -7.772 7.398 7.743 1.00 0.00 H new ATOM 0 HA SER A 78 -6.313 9.396 6.414 1.00 0.00 H new ATOM 0 HB2 SER A 78 -8.283 7.916 5.609 1.00 0.00 H new ATOM 0 HB3 SER A 78 -9.335 9.076 6.395 1.00 0.00 H new ATOM 0 HG SER A 78 -7.327 9.887 4.525 1.00 0.00 H new ATOM 1144 N GLN A 79 -8.557 10.491 8.583 1.00 0.00 N ATOM 1145 CA GLN A 79 -8.964 11.658 9.357 1.00 0.00 C ATOM 1146 C GLN A 79 -7.803 12.191 10.189 1.00 0.00 C ATOM 1147 O GLN A 79 -7.666 13.400 10.377 1.00 0.00 O ATOM 1148 CB GLN A 79 -10.140 11.305 10.270 1.00 0.00 C ATOM 1149 CG GLN A 79 -11.380 10.850 9.516 1.00 0.00 C ATOM 1150 CD GLN A 79 -12.224 9.876 10.314 1.00 0.00 C ATOM 1151 OE1 GLN A 79 -11.890 9.532 11.449 1.00 0.00 O ATOM 1152 NE2 GLN A 79 -13.325 9.425 9.725 1.00 0.00 N ATOM 0 H GLN A 79 -9.079 9.640 8.795 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.274 12.436 8.659 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.832 10.516 10.956 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -10.392 12.175 10.876 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -11.983 11.720 9.258 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -11.079 10.381 8.579 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -13.564 9.736 8.783 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -13.932 8.767 10.214 1.00 0.00 H new ATOM 1161 N GLU A 80 -6.969 11.282 10.685 1.00 0.00 N ATOM 1162 CA GLU A 80 -5.820 11.663 11.498 1.00 0.00 C ATOM 1163 C GLU A 80 -4.831 12.495 10.686 1.00 0.00 C ATOM 1164 O GLU A 80 -4.431 13.582 11.101 1.00 0.00 O ATOM 1165 CB GLU A 80 -5.123 10.419 12.051 1.00 0.00 C ATOM 1166 CG GLU A 80 -5.854 9.781 13.221 1.00 0.00 C ATOM 1167 CD GLU A 80 -5.989 10.720 14.405 1.00 0.00 C ATOM 1168 OE1 GLU A 80 -6.894 11.580 14.378 1.00 0.00 O ATOM 1169 OE2 GLU A 80 -5.192 10.593 15.357 1.00 0.00 O ATOM 0 H GLU A 80 -7.068 10.277 10.538 1.00 0.00 H new ATOM 0 HA GLU A 80 -6.181 12.268 12.330 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -5.022 9.684 11.252 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.115 10.688 12.366 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.846 9.466 12.897 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.320 8.883 13.533 1.00 0.00 H new ATOM 1176 N ALA A 81 -4.441 11.974 9.527 1.00 0.00 N ATOM 1177 CA ALA A 81 -3.500 12.668 8.656 1.00 0.00 C ATOM 1178 C ALA A 81 -3.941 14.107 8.408 1.00 0.00 C ATOM 1179 O ALA A 81 -3.120 15.024 8.400 1.00 0.00 O ATOM 1180 CB ALA A 81 -3.355 11.924 7.337 1.00 0.00 C ATOM 0 H ALA A 81 -4.762 11.074 9.170 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.531 12.693 9.155 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.650 12.453 6.696 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.987 10.916 7.527 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.324 11.869 6.842 1.00 0.00 H new ATOM 1186 N ALA A 82 -5.240 14.297 8.206 1.00 0.00 N ATOM 1187 CA ALA A 82 -5.789 15.624 7.959 1.00 0.00 C ATOM 1188 C ALA A 82 -5.392 16.597 9.064 1.00 0.00 C ATOM 1189 O ALA A 82 -4.539 17.462 8.867 1.00 0.00 O ATOM 1190 CB ALA A 82 -7.304 15.554 7.833 1.00 0.00 C ATOM 0 H ALA A 82 -5.932 13.548 8.209 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.374 15.992 7.021 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -7.700 16.553 7.649 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -7.570 14.899 7.003 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -7.728 15.160 8.757 1.00 0.00 H new ATOM 1196 N SER A 83 -6.018 16.450 10.228 1.00 0.00 N ATOM 1197 CA SER A 83 -5.733 17.318 11.364 1.00 0.00 C ATOM 1198 C SER A 83 -4.236 17.360 11.654 1.00 0.00 C ATOM 1199 O SER A 83 -3.682 18.413 11.969 1.00 0.00 O ATOM 1200 CB SER A 83 -6.491 16.838 12.603 1.00 0.00 C ATOM 1201 OG SER A 83 -7.847 16.564 12.297 1.00 0.00 O ATOM 0 H SER A 83 -6.726 15.738 10.408 1.00 0.00 H new ATOM 0 HA SER A 83 -6.065 18.325 11.112 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.016 15.940 12.999 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.437 17.598 13.383 1.00 0.00 H new ATOM 0 HG SER A 83 -8.309 16.257 13.105 1.00 0.00 H new ATOM 1207 N SER A 84 -3.586 16.205 11.546 1.00 0.00 N ATOM 1208 CA SER A 84 -2.154 16.107 11.800 1.00 0.00 C ATOM 1209 C SER A 84 -1.379 17.092 10.930 1.00 0.00 C ATOM 1210 O SER A 84 -0.887 18.112 11.413 1.00 0.00 O ATOM 1211 CB SER A 84 -1.664 14.682 11.537 1.00 0.00 C ATOM 1212 OG SER A 84 -2.121 13.792 12.541 1.00 0.00 O ATOM 0 H SER A 84 -4.029 15.324 11.284 1.00 0.00 H new ATOM 0 HA SER A 84 -1.978 16.357 12.846 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.017 14.347 10.562 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.575 14.669 11.504 1.00 0.00 H new ATOM 0 HG SER A 84 -3.019 13.474 12.312 1.00 0.00 H new ATOM 1218 N PHE A 85 -1.274 16.779 9.642 1.00 0.00 N ATOM 1219 CA PHE A 85 -0.558 17.635 8.703 1.00 0.00 C ATOM 1220 C PHE A 85 -1.530 18.507 7.913 1.00 0.00 C ATOM 1221 O PHE A 85 -1.351 19.720 7.812 1.00 0.00 O ATOM 1222 CB PHE A 85 0.279 16.787 7.744 1.00 0.00 C ATOM 1223 CG PHE A 85 1.268 15.895 8.439 1.00 0.00 C ATOM 1224 CD1 PHE A 85 0.879 14.661 8.935 1.00 0.00 C ATOM 1225 CD2 PHE A 85 2.586 16.291 8.597 1.00 0.00 C ATOM 1226 CE1 PHE A 85 1.786 13.839 9.576 1.00 0.00 C ATOM 1227 CE2 PHE A 85 3.499 15.473 9.237 1.00 0.00 C ATOM 1228 CZ PHE A 85 3.098 14.245 9.726 1.00 0.00 C ATOM 0 H PHE A 85 -1.676 15.939 9.225 1.00 0.00 H new ATOM 0 HA PHE A 85 0.104 18.285 9.274 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -0.388 16.174 7.138 1.00 0.00 H new ATOM 0 HB3 PHE A 85 0.814 17.447 7.061 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -0.145 14.338 8.819 1.00 0.00 H new ATOM 0 HD2 PHE A 85 2.904 17.250 8.216 1.00 0.00 H new ATOM 0 HE1 PHE A 85 1.470 12.880 9.959 1.00 0.00 H new ATOM 0 HE2 PHE A 85 4.524 15.794 9.354 1.00 0.00 H new ATOM 0 HZ PHE A 85 3.809 13.603 10.225 1.00 0.00 H new ATOM 1238 N GLY A 86 -2.560 17.878 7.354 1.00 0.00 N ATOM 1239 CA GLY A 86 -3.544 18.611 6.579 1.00 0.00 C ATOM 1240 C GLY A 86 -4.211 17.749 5.526 1.00 0.00 C ATOM 1241 O GLY A 86 -5.426 17.817 5.336 1.00 0.00 O ATOM 0 H GLY A 86 -2.730 16.875 7.424 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.304 19.013 7.249 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -3.062 19.461 6.096 1.00 0.00 H new ATOM 1245 N ASP A 87 -3.416 16.937 4.838 1.00 0.00 N ATOM 1246 CA ASP A 87 -3.936 16.058 3.797 1.00 0.00 C ATOM 1247 C ASP A 87 -4.458 14.756 4.395 1.00 0.00 C ATOM 1248 O ASP A 87 -4.103 14.390 5.516 1.00 0.00 O ATOM 1249 CB ASP A 87 -2.850 15.759 2.762 1.00 0.00 C ATOM 1250 CG ASP A 87 -3.422 15.485 1.385 1.00 0.00 C ATOM 1251 OD1 ASP A 87 -4.593 15.059 1.303 1.00 0.00 O ATOM 1252 OD2 ASP A 87 -2.698 15.695 0.389 1.00 0.00 O ATOM 0 H ASP A 87 -2.409 16.869 4.982 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.764 16.569 3.306 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -2.164 16.604 2.706 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.268 14.897 3.089 1.00 0.00 H new ATOM 1257 N ASP A 88 -5.304 14.062 3.642 1.00 0.00 N ATOM 1258 CA ASP A 88 -5.876 12.800 4.098 1.00 0.00 C ATOM 1259 C ASP A 88 -5.285 11.625 3.326 1.00 0.00 C ATOM 1260 O ASP A 88 -5.878 10.548 3.265 1.00 0.00 O ATOM 1261 CB ASP A 88 -7.397 12.818 3.939 1.00 0.00 C ATOM 1262 CG ASP A 88 -7.835 12.484 2.527 1.00 0.00 C ATOM 1263 OD1 ASP A 88 -7.208 12.994 1.574 1.00 0.00 O ATOM 1264 OD2 ASP A 88 -8.804 11.711 2.374 1.00 0.00 O ATOM 0 H ASP A 88 -5.609 14.352 2.713 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.630 12.678 5.153 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.840 12.103 4.632 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -7.776 13.803 4.211 1.00 0.00 H new ATOM 1269 N ARG A 89 -4.113 11.841 2.736 1.00 0.00 N ATOM 1270 CA ARG A 89 -3.443 10.800 1.966 1.00 0.00 C ATOM 1271 C ARG A 89 -3.008 9.650 2.869 1.00 0.00 C ATOM 1272 O ARG A 89 -2.252 9.845 3.821 1.00 0.00 O ATOM 1273 CB ARG A 89 -2.228 11.378 1.237 1.00 0.00 C ATOM 1274 CG ARG A 89 -2.591 12.278 0.067 1.00 0.00 C ATOM 1275 CD ARG A 89 -1.363 12.653 -0.748 1.00 0.00 C ATOM 1276 NE ARG A 89 -1.651 13.708 -1.716 1.00 0.00 N ATOM 1277 CZ ARG A 89 -2.238 13.490 -2.888 1.00 0.00 C ATOM 1278 NH1 ARG A 89 -2.598 12.262 -3.235 1.00 0.00 N ATOM 1279 NH2 ARG A 89 -2.466 14.502 -3.715 1.00 0.00 N ATOM 0 H ARG A 89 -3.609 12.727 2.777 1.00 0.00 H new ATOM 0 HA ARG A 89 -4.150 10.414 1.231 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.625 11.944 1.947 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -1.608 10.558 0.875 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -3.313 11.771 -0.573 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -3.073 13.182 0.438 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -0.570 12.983 -0.077 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -0.992 11.772 -1.272 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.387 14.664 -1.479 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -2.425 11.482 -2.602 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -3.048 12.098 -4.135 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.191 15.448 -3.451 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -2.917 14.334 -4.615 1.00 0.00 H new ATOM 1293 N LEU A 90 -3.491 8.450 2.564 1.00 0.00 N ATOM 1294 CA LEU A 90 -3.153 7.267 3.349 1.00 0.00 C ATOM 1295 C LEU A 90 -2.178 6.372 2.591 1.00 0.00 C ATOM 1296 O LEU A 90 -1.945 6.561 1.396 1.00 0.00 O ATOM 1297 CB LEU A 90 -4.420 6.483 3.696 1.00 0.00 C ATOM 1298 CG LEU A 90 -5.215 6.991 4.899 1.00 0.00 C ATOM 1299 CD1 LEU A 90 -6.364 6.046 5.217 1.00 0.00 C ATOM 1300 CD2 LEU A 90 -4.307 7.157 6.108 1.00 0.00 C ATOM 0 H LEU A 90 -4.117 8.271 1.779 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.673 7.596 4.271 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.075 6.487 2.825 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.142 5.446 3.881 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.633 7.966 4.648 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.919 6.424 6.076 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.029 5.980 4.356 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.968 5.057 5.447 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.891 7.519 6.954 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.859 6.196 6.361 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.520 7.875 5.876 1.00 0.00 H new ATOM 1312 N LEU A 91 -1.613 5.395 3.292 1.00 0.00 N ATOM 1313 CA LEU A 91 -0.665 4.468 2.685 1.00 0.00 C ATOM 1314 C LEU A 91 -0.963 3.032 3.104 1.00 0.00 C ATOM 1315 O LEU A 91 -1.727 2.794 4.040 1.00 0.00 O ATOM 1316 CB LEU A 91 0.766 4.839 3.079 1.00 0.00 C ATOM 1317 CG LEU A 91 1.391 6.007 2.315 1.00 0.00 C ATOM 1318 CD1 LEU A 91 2.675 6.461 2.992 1.00 0.00 C ATOM 1319 CD2 LEU A 91 1.658 5.616 0.869 1.00 0.00 C ATOM 0 H LEU A 91 -1.795 5.225 4.281 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.768 4.540 1.602 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.778 5.078 4.142 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.398 3.962 2.942 1.00 0.00 H new ATOM 0 HG LEU A 91 0.687 6.839 2.321 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.106 7.293 2.435 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.456 6.782 4.010 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.385 5.634 3.017 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.103 6.459 0.340 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.343 4.768 0.842 1.00 0.00 H new ATOM 0 HD23 LEU A 91 0.720 5.340 0.388 1.00 0.00 H new ATOM 1331 N ILE A 92 -0.354 2.079 2.406 1.00 0.00 N ATOM 1332 CA ILE A 92 -0.553 0.667 2.708 1.00 0.00 C ATOM 1333 C ILE A 92 0.693 -0.147 2.376 1.00 0.00 C ATOM 1334 O ILE A 92 1.156 -0.153 1.236 1.00 0.00 O ATOM 1335 CB ILE A 92 -1.751 0.088 1.933 1.00 0.00 C ATOM 1336 CG1 ILE A 92 -2.965 1.011 2.064 1.00 0.00 C ATOM 1337 CG2 ILE A 92 -2.084 -1.308 2.438 1.00 0.00 C ATOM 1338 CD1 ILE A 92 -4.174 0.532 1.293 1.00 0.00 C ATOM 0 H ILE A 92 0.281 2.259 1.628 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.755 0.599 3.777 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.483 0.018 0.879 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.229 1.103 3.117 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.693 2.007 1.715 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.933 -1.704 1.880 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.222 -1.961 2.298 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.336 -1.261 3.497 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -4.996 1.234 1.432 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.927 0.467 0.233 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -4.472 -0.451 1.657 1.00 0.00 H new ATOM 1350 N GLU A 93 1.230 -0.834 3.379 1.00 0.00 N ATOM 1351 CA GLU A 93 2.423 -1.652 3.192 1.00 0.00 C ATOM 1352 C GLU A 93 2.207 -3.061 3.737 1.00 0.00 C ATOM 1353 O GLU A 93 1.389 -3.275 4.632 1.00 0.00 O ATOM 1354 CB GLU A 93 3.625 -1.005 3.883 1.00 0.00 C ATOM 1355 CG GLU A 93 4.391 -0.039 2.995 1.00 0.00 C ATOM 1356 CD GLU A 93 5.259 -0.747 1.974 1.00 0.00 C ATOM 1357 OE1 GLU A 93 5.309 -1.995 2.003 1.00 0.00 O ATOM 1358 OE2 GLU A 93 5.889 -0.055 1.147 1.00 0.00 O ATOM 0 H GLU A 93 0.858 -0.841 4.329 1.00 0.00 H new ATOM 0 HA GLU A 93 2.621 -1.721 2.122 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.281 -0.474 4.771 1.00 0.00 H new ATOM 0 HB3 GLU A 93 4.303 -1.788 4.223 1.00 0.00 H new ATOM 0 HG2 GLU A 93 3.685 0.611 2.478 1.00 0.00 H new ATOM 0 HG3 GLU A 93 5.017 0.601 3.617 1.00 0.00 H new ATOM 1365 N LYS A 94 2.945 -4.020 3.189 1.00 0.00 N ATOM 1366 CA LYS A 94 2.837 -5.409 3.618 1.00 0.00 C ATOM 1367 C LYS A 94 3.342 -5.578 5.048 1.00 0.00 C ATOM 1368 O LYS A 94 4.434 -5.123 5.389 1.00 0.00 O ATOM 1369 CB LYS A 94 3.628 -6.319 2.676 1.00 0.00 C ATOM 1370 CG LYS A 94 3.779 -7.741 3.188 1.00 0.00 C ATOM 1371 CD LYS A 94 2.489 -8.529 3.035 1.00 0.00 C ATOM 1372 CE LYS A 94 2.761 -10.014 2.849 1.00 0.00 C ATOM 1373 NZ LYS A 94 3.563 -10.281 1.623 1.00 0.00 N ATOM 0 H LYS A 94 3.625 -3.860 2.446 1.00 0.00 H new ATOM 0 HA LYS A 94 1.785 -5.691 3.587 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.132 -6.342 1.706 1.00 0.00 H new ATOM 0 HB3 LYS A 94 4.618 -5.892 2.518 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.579 -8.242 2.643 1.00 0.00 H new ATOM 0 HG3 LYS A 94 4.072 -7.721 4.238 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.864 -8.380 3.916 1.00 0.00 H new ATOM 0 HD3 LYS A 94 1.930 -8.151 2.179 1.00 0.00 H new ATOM 0 HE2 LYS A 94 3.291 -10.398 3.721 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.815 -10.552 2.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.330 -11.225 1.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.344 -9.564 0.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 4.576 -10.241 1.855 1.00 0.00 H new ATOM 1387 N PHE A 95 2.542 -6.237 5.879 1.00 0.00 N ATOM 1388 CA PHE A 95 2.908 -6.466 7.272 1.00 0.00 C ATOM 1389 C PHE A 95 3.439 -7.883 7.468 1.00 0.00 C ATOM 1390 O PHE A 95 2.738 -8.862 7.207 1.00 0.00 O ATOM 1391 CB PHE A 95 1.703 -6.230 8.184 1.00 0.00 C ATOM 1392 CG PHE A 95 1.982 -6.515 9.632 1.00 0.00 C ATOM 1393 CD1 PHE A 95 2.225 -7.810 10.063 1.00 0.00 C ATOM 1394 CD2 PHE A 95 2.002 -5.489 10.563 1.00 0.00 C ATOM 1395 CE1 PHE A 95 2.482 -8.075 11.395 1.00 0.00 C ATOM 1396 CE2 PHE A 95 2.259 -5.748 11.896 1.00 0.00 C ATOM 1397 CZ PHE A 95 2.500 -7.043 12.312 1.00 0.00 C ATOM 0 H PHE A 95 1.636 -6.622 5.612 1.00 0.00 H new ATOM 0 HA PHE A 95 3.697 -5.761 7.535 1.00 0.00 H new ATOM 0 HB2 PHE A 95 1.377 -5.195 8.082 1.00 0.00 H new ATOM 0 HB3 PHE A 95 0.877 -6.858 7.851 1.00 0.00 H new ATOM 0 HD1 PHE A 95 2.213 -8.621 9.350 1.00 0.00 H new ATOM 0 HD2 PHE A 95 1.814 -4.475 10.243 1.00 0.00 H new ATOM 0 HE1 PHE A 95 2.669 -9.088 11.718 1.00 0.00 H new ATOM 0 HE2 PHE A 95 2.271 -4.939 12.611 1.00 0.00 H new ATOM 0 HZ PHE A 95 2.702 -7.248 13.353 1.00 0.00 H new ATOM 1407 N ILE A 96 4.681 -7.985 7.929 1.00 0.00 N ATOM 1408 CA ILE A 96 5.306 -9.282 8.161 1.00 0.00 C ATOM 1409 C ILE A 96 6.003 -9.321 9.516 1.00 0.00 C ATOM 1410 O ILE A 96 6.895 -8.518 9.791 1.00 0.00 O ATOM 1411 CB ILE A 96 6.329 -9.618 7.060 1.00 0.00 C ATOM 1412 CG1 ILE A 96 5.739 -9.325 5.679 1.00 0.00 C ATOM 1413 CG2 ILE A 96 6.755 -11.075 7.161 1.00 0.00 C ATOM 1414 CD1 ILE A 96 6.686 -9.632 4.540 1.00 0.00 C ATOM 0 H ILE A 96 5.275 -7.185 8.149 1.00 0.00 H new ATOM 0 HA ILE A 96 4.509 -10.025 8.144 1.00 0.00 H new ATOM 0 HB ILE A 96 7.210 -8.991 7.199 1.00 0.00 H new ATOM 0 HG12 ILE A 96 4.828 -9.909 5.551 1.00 0.00 H new ATOM 0 HG13 ILE A 96 5.453 -8.274 5.630 1.00 0.00 H new ATOM 0 HG21 ILE A 96 7.478 -11.298 6.376 1.00 0.00 H new ATOM 0 HG22 ILE A 96 7.210 -11.254 8.135 1.00 0.00 H new ATOM 0 HG23 ILE A 96 5.883 -11.718 7.044 1.00 0.00 H new ATOM 0 HD11 ILE A 96 6.201 -9.400 3.591 1.00 0.00 H new ATOM 0 HD12 ILE A 96 7.588 -9.028 4.644 1.00 0.00 H new ATOM 0 HD13 ILE A 96 6.952 -10.689 4.563 1.00 0.00 H new