USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 665 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 92 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 96 TYR OH : rot 156:sc= 1.17 USER MOD Set 2.1: A 63 LYS NZ :NH3+ 150:sc= -0.0234 (180deg=0) USER MOD Set 2.2: A 75 MET CE :methyl 173:sc= -0.625 (180deg=-1.18) USER MOD Set 3.1: A 54 GLN : amide:sc= 0.796 K(o=2,f=-2) USER MOD Set 3.2: A 64 TYR OH : rot -66:sc= 1.2 USER MOD Set 3.3: A 80 THR OG1 : rot 170:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -4.58! C(o=-4.6!,f=-4.8!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.952 K(o=-0.95,f=-2.2) USER MOD Single : A 62 THR OG1 : rot 30:sc= -0.985 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 155:sc= 0.203 (180deg=0.0681) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -3.06! C(o=-3.1!,f=-4.2!) USER MOD Single : A 82 THR OG1 : rot -2:sc= 0.0432 USER MOD Single : A 88 HIS : no HD1:sc= -4.13 K(o=-4.1,f=-7.3!) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= -0.974 USER MOD Single : A 104 ASN : amide:sc= -4.07! C(o=-4.1!,f=-4.5!) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 116 GLN : amide:sc= -0.145 K(o=-0.14,f=-1.5!) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 340 N PRO A 27 -1.550 16.798 -0.070 1.00 0.00 N ATOM 341 CA PRO A 27 -1.773 15.433 0.415 1.00 0.00 C ATOM 342 C PRO A 27 -1.898 14.426 -0.723 1.00 0.00 C ATOM 343 O PRO A 27 -2.128 14.784 -1.878 1.00 0.00 O ATOM 344 CB PRO A 27 -3.093 15.540 1.182 1.00 0.00 C ATOM 345 CG PRO A 27 -3.795 16.702 0.568 1.00 0.00 C ATOM 346 CD PRO A 27 -2.717 17.667 0.157 1.00 0.00 C ATOM 0 HA PRO A 27 -0.940 15.075 1.020 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.681 14.627 1.087 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.921 15.699 2.246 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.388 16.390 -0.292 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.481 17.163 1.278 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.991 18.216 -0.744 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.522 18.407 0.934 1.00 0.00 H new ATOM 354 N PRO A 28 -1.745 13.135 -0.392 1.00 0.00 N ATOM 355 CA PRO A 28 -1.838 12.050 -1.373 1.00 0.00 C ATOM 356 C PRO A 28 -3.261 11.851 -1.884 1.00 0.00 C ATOM 357 O PRO A 28 -4.229 12.162 -1.190 1.00 0.00 O ATOM 358 CB PRO A 28 -1.376 10.821 -0.587 1.00 0.00 C ATOM 359 CG PRO A 28 -1.664 11.150 0.837 1.00 0.00 C ATOM 360 CD PRO A 28 -1.469 12.636 0.965 1.00 0.00 C ATOM 0 HA PRO A 28 -1.242 12.253 -2.263 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.912 9.925 -0.902 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.314 10.629 -0.742 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -2.681 10.865 1.106 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -0.994 10.609 1.506 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.150 13.069 1.698 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.457 12.882 1.285 1.00 0.00 H new ATOM 368 N ARG A 29 -3.381 11.331 -3.101 1.00 0.00 N ATOM 369 CA ARG A 29 -4.686 11.092 -3.705 1.00 0.00 C ATOM 370 C ARG A 29 -4.675 9.810 -4.533 1.00 0.00 C ATOM 371 O ARG A 29 -3.616 9.308 -4.904 1.00 0.00 O ATOM 372 CB ARG A 29 -5.090 12.276 -4.585 1.00 0.00 C ATOM 373 CG ARG A 29 -5.818 13.376 -3.829 1.00 0.00 C ATOM 374 CD ARG A 29 -6.508 14.342 -4.780 1.00 0.00 C ATOM 375 NE ARG A 29 -7.813 13.847 -5.212 1.00 0.00 N ATOM 376 CZ ARG A 29 -8.682 14.573 -5.906 1.00 0.00 C ATOM 377 NH1 ARG A 29 -8.386 15.820 -6.245 1.00 0.00 N ATOM 378 NH2 ARG A 29 -9.849 14.052 -6.262 1.00 0.00 N ATOM 0 H ARG A 29 -2.590 11.067 -3.688 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.415 10.980 -2.902 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.197 12.695 -5.048 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.729 11.917 -5.392 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.556 12.933 -3.160 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.109 13.921 -3.206 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.631 15.308 -4.290 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.875 14.506 -5.652 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.071 12.891 -4.967 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.490 16.223 -5.973 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.055 16.376 -6.778 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.080 13.093 -6.003 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.516 14.611 -6.795 1.00 0.00 H new ATOM 392 N GLY A 30 -5.864 9.285 -4.817 1.00 0.00 N ATOM 393 CA GLY A 30 -5.969 8.066 -5.598 1.00 0.00 C ATOM 394 C GLY A 30 -4.986 7.004 -5.148 1.00 0.00 C ATOM 395 O GLY A 30 -4.291 6.403 -5.969 1.00 0.00 O ATOM 0 H GLY A 30 -6.755 9.682 -4.520 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.983 7.674 -5.520 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.796 8.295 -6.649 1.00 0.00 H new ATOM 399 N LEU A 31 -4.924 6.771 -3.842 1.00 0.00 N ATOM 400 CA LEU A 31 -4.017 5.774 -3.284 1.00 0.00 C ATOM 401 C LEU A 31 -4.774 4.509 -2.893 1.00 0.00 C ATOM 402 O LEU A 31 -5.530 4.502 -1.922 1.00 0.00 O ATOM 403 CB LEU A 31 -3.289 6.344 -2.065 1.00 0.00 C ATOM 404 CG LEU A 31 -2.186 5.467 -1.472 1.00 0.00 C ATOM 405 CD1 LEU A 31 -2.774 4.189 -0.893 1.00 0.00 C ATOM 406 CD2 LEU A 31 -1.137 5.144 -2.525 1.00 0.00 C ATOM 0 H LEU A 31 -5.491 7.259 -3.149 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.285 5.516 -4.049 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.853 7.303 -2.343 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.026 6.542 -1.287 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.704 6.019 -0.665 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.974 3.577 -0.475 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.487 4.440 -0.108 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.283 3.633 -1.681 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.360 4.519 -2.085 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.605 4.612 -3.353 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.693 6.069 -2.893 1.00 0.00 H new ATOM 418 N GLN A 32 -4.562 3.440 -3.653 1.00 0.00 N ATOM 419 CA GLN A 32 -5.222 2.168 -3.385 1.00 0.00 C ATOM 420 C GLN A 32 -4.452 1.011 -4.012 1.00 0.00 C ATOM 421 O GLN A 32 -3.546 1.220 -4.819 1.00 0.00 O ATOM 422 CB GLN A 32 -6.656 2.191 -3.919 1.00 0.00 C ATOM 423 CG GLN A 32 -7.585 3.098 -3.128 1.00 0.00 C ATOM 424 CD GLN A 32 -7.617 4.514 -3.669 1.00 0.00 C ATOM 425 OE1 GLN A 32 -7.479 5.481 -2.918 1.00 0.00 O ATOM 426 NE2 GLN A 32 -7.799 4.645 -4.977 1.00 0.00 N ATOM 0 H GLN A 32 -3.938 3.429 -4.460 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.246 2.021 -2.305 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -6.642 2.517 -4.959 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.055 1.177 -3.908 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -8.593 2.684 -3.145 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.266 3.118 -2.086 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -7.909 3.817 -5.562 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -7.829 5.574 -5.397 1.00 0.00 H new ATOM 435 N VAL A 33 -4.818 -0.210 -3.635 1.00 0.00 N ATOM 436 CA VAL A 33 -4.161 -1.401 -4.161 1.00 0.00 C ATOM 437 C VAL A 33 -5.143 -2.271 -4.938 1.00 0.00 C ATOM 438 O VAL A 33 -6.336 -2.298 -4.639 1.00 0.00 O ATOM 439 CB VAL A 33 -3.531 -2.239 -3.033 1.00 0.00 C ATOM 440 CG1 VAL A 33 -2.324 -1.523 -2.446 1.00 0.00 C ATOM 441 CG2 VAL A 33 -4.560 -2.539 -1.954 1.00 0.00 C ATOM 0 H VAL A 33 -5.566 -0.400 -2.968 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.373 -1.058 -4.832 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.193 -3.186 -3.453 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.892 -2.130 -1.650 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.580 -1.365 -3.226 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.634 -0.560 -2.040 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.097 -3.132 -1.165 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.931 -1.604 -1.535 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.390 -3.097 -2.388 1.00 0.00 H new ATOM 451 N SER A 34 -4.631 -2.983 -5.938 1.00 0.00 N ATOM 452 CA SER A 34 -5.463 -3.853 -6.761 1.00 0.00 C ATOM 453 C SER A 34 -4.673 -5.067 -7.240 1.00 0.00 C ATOM 454 O SER A 34 -3.460 -4.991 -7.442 1.00 0.00 O ATOM 455 CB SER A 34 -6.012 -3.081 -7.962 1.00 0.00 C ATOM 456 OG SER A 34 -6.971 -2.120 -7.556 1.00 0.00 O ATOM 0 H SER A 34 -3.645 -2.974 -6.197 1.00 0.00 H new ATOM 0 HA SER A 34 -6.296 -4.202 -6.150 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.194 -2.585 -8.484 1.00 0.00 H new ATOM 0 HB3 SER A 34 -6.466 -3.776 -8.668 1.00 0.00 H new ATOM 0 HG SER A 34 -7.305 -1.639 -8.342 1.00 0.00 H new ATOM 462 N ILE A 35 -5.368 -6.185 -7.419 1.00 0.00 N ATOM 463 CA ILE A 35 -4.732 -7.414 -7.875 1.00 0.00 C ATOM 464 C ILE A 35 -4.705 -7.487 -9.398 1.00 0.00 C ATOM 465 O ILE A 35 -5.749 -7.453 -10.049 1.00 0.00 O ATOM 466 CB ILE A 35 -5.454 -8.659 -7.325 1.00 0.00 C ATOM 467 CG1 ILE A 35 -5.410 -8.667 -5.796 1.00 0.00 C ATOM 468 CG2 ILE A 35 -4.825 -9.926 -7.885 1.00 0.00 C ATOM 469 CD1 ILE A 35 -6.369 -9.654 -5.169 1.00 0.00 C ATOM 0 H ILE A 35 -6.372 -6.265 -7.255 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.710 -7.400 -7.496 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.497 -8.625 -7.639 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.396 -8.901 -5.471 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.639 -7.667 -5.429 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.346 -10.797 -7.487 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.903 -9.921 -8.972 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.775 -9.969 -7.597 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.283 -9.605 -4.083 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.389 -9.408 -5.464 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.127 -10.662 -5.507 1.00 0.00 H new ATOM 481 N GLN A 36 -3.504 -7.590 -9.959 1.00 0.00 N ATOM 482 CA GLN A 36 -3.342 -7.669 -11.405 1.00 0.00 C ATOM 483 C GLN A 36 -4.483 -8.457 -12.039 1.00 0.00 C ATOM 484 O GLN A 36 -4.432 -9.683 -12.124 1.00 0.00 O ATOM 485 CB GLN A 36 -2.002 -8.319 -11.755 1.00 0.00 C ATOM 486 CG GLN A 36 -1.636 -8.206 -13.226 1.00 0.00 C ATOM 487 CD GLN A 36 -1.916 -6.828 -13.793 1.00 0.00 C ATOM 488 OE1 GLN A 36 -1.185 -5.874 -13.525 1.00 0.00 O ATOM 489 NE2 GLN A 36 -2.979 -6.717 -14.581 1.00 0.00 N ATOM 0 H GLN A 36 -2.630 -7.621 -9.434 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.361 -6.654 -11.803 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -1.216 -7.857 -11.157 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -2.035 -9.373 -11.477 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -0.579 -8.439 -13.352 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -2.196 -8.949 -13.794 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -3.557 -7.535 -14.776 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -3.218 -5.814 -14.991 1.00 0.00 H new ATOM 498 N GLY A 37 -5.514 -7.744 -12.483 1.00 0.00 N ATOM 499 CA GLY A 37 -6.654 -8.394 -13.103 1.00 0.00 C ATOM 500 C GLY A 37 -7.703 -8.813 -12.092 1.00 0.00 C ATOM 501 O GLY A 37 -7.372 -9.252 -10.991 1.00 0.00 O ATOM 0 H GLY A 37 -5.580 -6.728 -12.424 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.104 -7.717 -13.829 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.313 -9.271 -13.653 1.00 0.00 H new ATOM 505 N GLU A 38 -8.971 -8.676 -12.465 1.00 0.00 N ATOM 506 CA GLU A 38 -10.071 -9.042 -11.581 1.00 0.00 C ATOM 507 C GLU A 38 -9.947 -10.495 -11.131 1.00 0.00 C ATOM 508 O GLU A 38 -10.165 -11.419 -11.913 1.00 0.00 O ATOM 509 CB GLU A 38 -11.413 -8.828 -12.284 1.00 0.00 C ATOM 510 CG GLU A 38 -12.590 -8.719 -11.329 1.00 0.00 C ATOM 511 CD GLU A 38 -12.567 -7.438 -10.518 1.00 0.00 C ATOM 512 OE1 GLU A 38 -13.000 -6.393 -11.046 1.00 0.00 O ATOM 513 OE2 GLU A 38 -12.115 -7.482 -9.354 1.00 0.00 O ATOM 0 H GLU A 38 -9.262 -8.314 -13.373 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.024 -8.401 -10.701 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.358 -7.920 -12.885 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.589 -9.655 -12.972 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -13.519 -8.769 -11.897 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -12.584 -9.573 -10.652 1.00 0.00 H new ATOM 520 N ALA A 39 -9.594 -10.687 -9.864 1.00 0.00 N ATOM 521 CA ALA A 39 -9.442 -12.026 -9.308 1.00 0.00 C ATOM 522 C ALA A 39 -10.550 -12.334 -8.307 1.00 0.00 C ATOM 523 O ALA A 39 -11.253 -11.434 -7.847 1.00 0.00 O ATOM 524 CB ALA A 39 -8.078 -12.173 -8.650 1.00 0.00 C ATOM 0 H ALA A 39 -9.408 -9.932 -9.204 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.518 -12.743 -10.126 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.979 -13.178 -8.239 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.297 -12.005 -9.391 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.980 -11.442 -7.848 1.00 0.00 H new ATOM 530 N VAL A 40 -10.701 -13.612 -7.973 1.00 0.00 N ATOM 531 CA VAL A 40 -11.724 -14.039 -7.025 1.00 0.00 C ATOM 532 C VAL A 40 -11.128 -14.921 -5.934 1.00 0.00 C ATOM 533 O VAL A 40 -11.424 -14.749 -4.752 1.00 0.00 O ATOM 534 CB VAL A 40 -12.857 -14.807 -7.731 1.00 0.00 C ATOM 535 CG1 VAL A 40 -13.881 -15.297 -6.718 1.00 0.00 C ATOM 536 CG2 VAL A 40 -13.516 -13.933 -8.787 1.00 0.00 C ATOM 0 H VAL A 40 -10.128 -14.370 -8.345 1.00 0.00 H new ATOM 0 HA VAL A 40 -12.135 -13.136 -6.573 1.00 0.00 H new ATOM 0 HB VAL A 40 -12.428 -15.677 -8.229 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -14.674 -15.837 -7.235 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -13.396 -15.961 -6.002 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -14.307 -14.444 -6.190 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -14.314 -14.492 -9.276 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -13.933 -13.043 -8.315 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -12.774 -13.636 -9.529 1.00 0.00 H new ATOM 546 N ALA A 41 -10.287 -15.867 -6.339 1.00 0.00 N ATOM 547 CA ALA A 41 -9.647 -16.775 -5.396 1.00 0.00 C ATOM 548 C ALA A 41 -8.179 -16.989 -5.749 1.00 0.00 C ATOM 549 O ALA A 41 -7.848 -17.349 -6.879 1.00 0.00 O ATOM 550 CB ALA A 41 -10.383 -18.106 -5.363 1.00 0.00 C ATOM 0 H ALA A 41 -10.033 -16.024 -7.314 1.00 0.00 H new ATOM 0 HA ALA A 41 -9.693 -16.322 -4.406 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.894 -18.775 -4.654 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.416 -17.943 -5.055 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.367 -18.555 -6.356 1.00 0.00 H new ATOM 556 N VAL A 42 -7.302 -16.765 -4.776 1.00 0.00 N ATOM 557 CA VAL A 42 -5.869 -16.934 -4.984 1.00 0.00 C ATOM 558 C VAL A 42 -5.397 -18.294 -4.481 1.00 0.00 C ATOM 559 O VAL A 42 -5.893 -18.801 -3.475 1.00 0.00 O ATOM 560 CB VAL A 42 -5.064 -15.829 -4.275 1.00 0.00 C ATOM 561 CG1 VAL A 42 -3.663 -16.318 -3.942 1.00 0.00 C ATOM 562 CG2 VAL A 42 -5.010 -14.575 -5.134 1.00 0.00 C ATOM 0 H VAL A 42 -7.559 -16.466 -3.835 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.695 -16.867 -6.058 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.567 -15.580 -3.341 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.110 -15.523 -3.442 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.727 -17.185 -3.285 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.147 -16.596 -4.861 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.437 -13.805 -4.618 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.531 -14.806 -6.086 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.022 -14.214 -5.315 1.00 0.00 H new ATOM 572 N ARG A 43 -4.435 -18.878 -5.188 1.00 0.00 N ATOM 573 CA ARG A 43 -3.896 -20.180 -4.814 1.00 0.00 C ATOM 574 C ARG A 43 -3.024 -20.069 -3.566 1.00 0.00 C ATOM 575 O ARG A 43 -2.284 -19.103 -3.380 1.00 0.00 O ATOM 576 CB ARG A 43 -3.081 -20.770 -5.967 1.00 0.00 C ATOM 577 CG ARG A 43 -3.905 -21.612 -6.926 1.00 0.00 C ATOM 578 CD ARG A 43 -3.179 -21.826 -8.245 1.00 0.00 C ATOM 579 NE ARG A 43 -3.621 -23.041 -8.923 1.00 0.00 N ATOM 580 CZ ARG A 43 -3.170 -23.425 -10.112 1.00 0.00 C ATOM 581 NH1 ARG A 43 -2.269 -22.692 -10.751 1.00 0.00 N ATOM 582 NH2 ARG A 43 -3.621 -24.545 -10.664 1.00 0.00 N ATOM 0 H ARG A 43 -4.013 -18.470 -6.022 1.00 0.00 H new ATOM 0 HA ARG A 43 -4.734 -20.842 -4.594 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.611 -19.958 -6.522 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.278 -21.382 -5.557 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.123 -22.577 -6.469 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.862 -21.123 -7.111 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.347 -20.967 -8.895 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.106 -21.883 -8.063 1.00 0.00 H new ATOM 0 HE ARG A 43 -4.314 -23.627 -8.458 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.920 -21.831 -10.330 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.924 -22.989 -11.664 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -4.314 -25.111 -10.175 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -3.274 -24.839 -11.577 1.00 0.00 H new ATOM 596 N PRO A 44 -3.114 -21.081 -2.690 1.00 0.00 N ATOM 597 CA PRO A 44 -2.341 -21.120 -1.445 1.00 0.00 C ATOM 598 C PRO A 44 -0.852 -21.337 -1.693 1.00 0.00 C ATOM 599 O PRO A 44 -0.359 -22.463 -1.625 1.00 0.00 O ATOM 600 CB PRO A 44 -2.937 -22.314 -0.694 1.00 0.00 C ATOM 601 CG PRO A 44 -3.500 -23.189 -1.761 1.00 0.00 C ATOM 602 CD PRO A 44 -3.975 -22.264 -2.847 1.00 0.00 C ATOM 0 HA PRO A 44 -2.404 -20.180 -0.897 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -2.177 -22.836 -0.114 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -3.710 -21.996 0.006 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -2.745 -23.879 -2.138 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -4.321 -23.794 -1.377 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -3.864 -22.713 -3.834 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -5.029 -22.012 -2.728 1.00 0.00 H new ATOM 610 N GLY A 45 -0.140 -20.252 -1.981 1.00 0.00 N ATOM 611 CA GLY A 45 1.286 -20.346 -2.235 1.00 0.00 C ATOM 612 C GLY A 45 1.657 -19.887 -3.631 1.00 0.00 C ATOM 613 O GLY A 45 2.745 -20.189 -4.121 1.00 0.00 O ATOM 0 H GLY A 45 -0.525 -19.310 -2.043 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.823 -19.743 -1.503 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.609 -21.378 -2.097 1.00 0.00 H new ATOM 617 N GLU A 46 0.751 -19.157 -4.274 1.00 0.00 N ATOM 618 CA GLU A 46 0.990 -18.658 -5.623 1.00 0.00 C ATOM 619 C GLU A 46 1.307 -17.166 -5.603 1.00 0.00 C ATOM 620 O GLU A 46 0.448 -16.342 -5.288 1.00 0.00 O ATOM 621 CB GLU A 46 -0.229 -18.921 -6.510 1.00 0.00 C ATOM 622 CG GLU A 46 -0.247 -18.088 -7.781 1.00 0.00 C ATOM 623 CD GLU A 46 0.783 -18.548 -8.795 1.00 0.00 C ATOM 624 OE1 GLU A 46 0.966 -19.774 -8.940 1.00 0.00 O ATOM 625 OE2 GLU A 46 1.405 -17.680 -9.443 1.00 0.00 O ATOM 0 H GLU A 46 -0.155 -18.898 -3.883 1.00 0.00 H new ATOM 0 HA GLU A 46 1.850 -19.188 -6.033 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.252 -19.977 -6.777 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.135 -18.717 -5.939 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.239 -18.137 -8.229 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.062 -17.044 -7.529 1.00 0.00 H new ATOM 632 N ASP A 47 2.545 -16.826 -5.942 1.00 0.00 N ATOM 633 CA ASP A 47 2.977 -15.433 -5.964 1.00 0.00 C ATOM 634 C ASP A 47 1.950 -14.557 -6.676 1.00 0.00 C ATOM 635 O ASP A 47 1.774 -14.652 -7.891 1.00 0.00 O ATOM 636 CB ASP A 47 4.337 -15.309 -6.653 1.00 0.00 C ATOM 637 CG ASP A 47 5.493 -15.474 -5.686 1.00 0.00 C ATOM 638 OD1 ASP A 47 5.754 -14.534 -4.908 1.00 0.00 O ATOM 639 OD2 ASP A 47 6.137 -16.544 -5.709 1.00 0.00 O ATOM 0 H ASP A 47 3.268 -17.496 -6.206 1.00 0.00 H new ATOM 0 HA ASP A 47 3.068 -15.090 -4.933 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.413 -16.062 -7.438 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.408 -14.335 -7.137 1.00 0.00 H new ATOM 644 N VAL A 48 1.274 -13.706 -5.912 1.00 0.00 N ATOM 645 CA VAL A 48 0.265 -12.813 -6.469 1.00 0.00 C ATOM 646 C VAL A 48 0.870 -11.465 -6.842 1.00 0.00 C ATOM 647 O VAL A 48 1.817 -11.000 -6.207 1.00 0.00 O ATOM 648 CB VAL A 48 -0.894 -12.588 -5.479 1.00 0.00 C ATOM 649 CG1 VAL A 48 -0.439 -11.725 -4.313 1.00 0.00 C ATOM 650 CG2 VAL A 48 -2.084 -11.958 -6.187 1.00 0.00 C ATOM 0 H VAL A 48 1.407 -13.616 -4.905 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.123 -13.294 -7.367 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.206 -13.555 -5.084 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.270 -11.577 -3.624 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.380 -12.220 -3.792 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.100 -10.759 -4.686 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.893 -11.806 -5.473 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.789 -10.998 -6.611 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.423 -12.618 -6.985 1.00 0.00 H new ATOM 660 N LEU A 49 0.316 -10.840 -7.876 1.00 0.00 N ATOM 661 CA LEU A 49 0.800 -9.543 -8.335 1.00 0.00 C ATOM 662 C LEU A 49 -0.172 -8.432 -7.950 1.00 0.00 C ATOM 663 O LEU A 49 -1.330 -8.434 -8.368 1.00 0.00 O ATOM 664 CB LEU A 49 1.001 -9.558 -9.851 1.00 0.00 C ATOM 665 CG LEU A 49 2.219 -10.332 -10.359 1.00 0.00 C ATOM 666 CD1 LEU A 49 3.498 -9.561 -10.072 1.00 0.00 C ATOM 667 CD2 LEU A 49 2.274 -11.715 -9.726 1.00 0.00 C ATOM 0 H LEU A 49 -0.469 -11.211 -8.412 1.00 0.00 H new ATOM 0 HA LEU A 49 1.757 -9.348 -7.850 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.108 -9.981 -10.312 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.080 -8.527 -10.197 1.00 0.00 H new ATOM 0 HG LEU A 49 2.126 -10.452 -11.438 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.354 -10.126 -10.440 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.460 -8.594 -10.573 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.598 -9.410 -8.997 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.147 -12.251 -10.099 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.344 -11.617 -8.643 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.371 -12.269 -9.983 1.00 0.00 H new ATOM 679 N PHE A 50 0.308 -7.482 -7.154 1.00 0.00 N ATOM 680 CA PHE A 50 -0.518 -6.364 -6.715 1.00 0.00 C ATOM 681 C PHE A 50 -0.053 -5.059 -7.355 1.00 0.00 C ATOM 682 O PHE A 50 1.045 -4.575 -7.078 1.00 0.00 O ATOM 683 CB PHE A 50 -0.477 -6.239 -5.190 1.00 0.00 C ATOM 684 CG PHE A 50 -1.578 -6.990 -4.497 1.00 0.00 C ATOM 685 CD1 PHE A 50 -2.869 -6.488 -4.475 1.00 0.00 C ATOM 686 CD2 PHE A 50 -1.321 -8.197 -3.868 1.00 0.00 C ATOM 687 CE1 PHE A 50 -3.885 -7.177 -3.839 1.00 0.00 C ATOM 688 CE2 PHE A 50 -2.333 -8.891 -3.230 1.00 0.00 C ATOM 689 CZ PHE A 50 -3.616 -8.379 -3.215 1.00 0.00 C ATOM 0 H PHE A 50 1.264 -7.464 -6.800 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.543 -6.558 -7.030 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.484 -6.605 -4.829 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.540 -5.185 -4.918 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.084 -5.548 -4.960 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.319 -8.601 -3.876 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.888 -6.776 -3.830 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.121 -9.832 -2.744 1.00 0.00 H new ATOM 0 HZ PHE A 50 -4.408 -8.918 -2.716 1.00 0.00 H new ATOM 699 N VAL A 51 -0.896 -4.495 -8.214 1.00 0.00 N ATOM 700 CA VAL A 51 -0.573 -3.246 -8.894 1.00 0.00 C ATOM 701 C VAL A 51 -0.810 -2.047 -7.983 1.00 0.00 C ATOM 702 O VAL A 51 -1.797 -1.996 -7.249 1.00 0.00 O ATOM 703 CB VAL A 51 -1.406 -3.075 -10.178 1.00 0.00 C ATOM 704 CG1 VAL A 51 -1.031 -1.784 -10.890 1.00 0.00 C ATOM 705 CG2 VAL A 51 -1.222 -4.273 -11.097 1.00 0.00 C ATOM 0 H VAL A 51 -1.808 -4.883 -8.456 1.00 0.00 H new ATOM 0 HA VAL A 51 0.483 -3.293 -9.159 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.459 -3.017 -9.902 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.630 -1.680 -11.795 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.220 -0.937 -10.231 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.026 -1.809 -11.155 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.818 -4.135 -11.999 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.170 -4.366 -11.368 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.546 -5.178 -10.584 1.00 0.00 H new ATOM 715 N VAL A 52 0.101 -1.081 -8.036 1.00 0.00 N ATOM 716 CA VAL A 52 -0.009 0.120 -7.217 1.00 0.00 C ATOM 717 C VAL A 52 0.065 1.379 -8.075 1.00 0.00 C ATOM 718 O VAL A 52 0.820 1.438 -9.045 1.00 0.00 O ATOM 719 CB VAL A 52 1.099 0.175 -6.149 1.00 0.00 C ATOM 720 CG1 VAL A 52 2.458 0.384 -6.799 1.00 0.00 C ATOM 721 CG2 VAL A 52 0.809 1.272 -5.136 1.00 0.00 C ATOM 0 H VAL A 52 0.924 -1.107 -8.638 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.979 0.077 -6.722 1.00 0.00 H new ATOM 0 HB VAL A 52 1.118 -0.779 -5.622 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.228 0.420 -6.028 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.666 -0.440 -7.481 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.456 1.322 -7.354 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.602 1.296 -4.389 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.761 2.234 -5.646 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.144 1.073 -4.647 1.00 0.00 H new ATOM 731 N ARG A 53 -0.724 2.384 -7.710 1.00 0.00 N ATOM 732 CA ARG A 53 -0.749 3.642 -8.446 1.00 0.00 C ATOM 733 C ARG A 53 -1.292 4.771 -7.575 1.00 0.00 C ATOM 734 O ARG A 53 -2.097 4.540 -6.674 1.00 0.00 O ATOM 735 CB ARG A 53 -1.602 3.502 -9.708 1.00 0.00 C ATOM 736 CG ARG A 53 -1.153 4.400 -10.850 1.00 0.00 C ATOM 737 CD ARG A 53 -1.845 5.753 -10.800 1.00 0.00 C ATOM 738 NE ARG A 53 -1.040 6.802 -11.419 1.00 0.00 N ATOM 739 CZ ARG A 53 -1.002 7.023 -12.728 1.00 0.00 C ATOM 740 NH1 ARG A 53 -1.720 6.272 -13.552 1.00 0.00 N ATOM 741 NH2 ARG A 53 -0.245 7.998 -13.216 1.00 0.00 N ATOM 0 H ARG A 53 -1.354 2.351 -6.909 1.00 0.00 H new ATOM 0 HA ARG A 53 0.274 3.887 -8.732 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.575 2.464 -10.041 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.639 3.732 -9.463 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.073 4.540 -10.801 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.368 3.915 -11.802 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -2.807 5.687 -11.308 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.050 6.018 -9.763 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.476 7.398 -10.813 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.304 5.522 -13.181 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.689 6.444 -14.557 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.308 8.578 -12.585 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.217 8.167 -14.222 1.00 0.00 H new ATOM 755 N GLN A 54 -0.844 5.992 -7.851 1.00 0.00 N ATOM 756 CA GLN A 54 -1.284 7.156 -7.092 1.00 0.00 C ATOM 757 C GLN A 54 -1.727 8.279 -8.024 1.00 0.00 C ATOM 758 O GLN A 54 -1.130 8.494 -9.078 1.00 0.00 O ATOM 759 CB GLN A 54 -0.162 7.649 -6.178 1.00 0.00 C ATOM 760 CG GLN A 54 -0.637 8.593 -5.085 1.00 0.00 C ATOM 761 CD GLN A 54 0.496 9.393 -4.472 1.00 0.00 C ATOM 762 OE1 GLN A 54 1.670 9.096 -4.690 1.00 0.00 O ATOM 763 NE2 GLN A 54 0.148 10.416 -3.699 1.00 0.00 N ATOM 0 H GLN A 54 -0.177 6.200 -8.594 1.00 0.00 H new ATOM 0 HA GLN A 54 -2.136 6.858 -6.481 1.00 0.00 H new ATOM 0 HB2 GLN A 54 0.324 6.789 -5.718 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.591 8.155 -6.782 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -1.378 9.277 -5.498 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.135 8.018 -4.304 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -0.838 10.627 -3.545 1.00 0.00 H new ATOM 0 HE22 GLN A 54 0.867 10.991 -3.259 1.00 0.00 H new ATOM 872 N THR A 62 5.575 9.447 -1.423 1.00 0.00 N ATOM 873 CA THR A 62 5.160 9.248 -0.040 1.00 0.00 C ATOM 874 C THR A 62 5.387 7.807 0.401 1.00 0.00 C ATOM 875 O THR A 62 5.281 6.877 -0.400 1.00 0.00 O ATOM 876 CB THR A 62 3.674 9.605 0.157 1.00 0.00 C ATOM 877 OG1 THR A 62 3.464 10.995 -0.118 1.00 0.00 O ATOM 878 CG2 THR A 62 3.226 9.290 1.576 1.00 0.00 C ATOM 0 HA THR A 62 5.771 9.912 0.572 1.00 0.00 H new ATOM 0 HB THR A 62 3.083 9.005 -0.535 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.110 11.297 -0.791 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.174 9.550 1.692 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.360 8.226 1.772 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.822 9.867 2.282 1.00 0.00 H new ATOM 886 N LYS A 63 5.700 7.627 1.680 1.00 0.00 N ATOM 887 CA LYS A 63 5.941 6.298 2.229 1.00 0.00 C ATOM 888 C LYS A 63 4.680 5.443 2.158 1.00 0.00 C ATOM 889 O LYS A 63 3.626 5.831 2.662 1.00 0.00 O ATOM 890 CB LYS A 63 6.418 6.402 3.680 1.00 0.00 C ATOM 891 CG LYS A 63 7.921 6.566 3.815 1.00 0.00 C ATOM 892 CD LYS A 63 8.622 5.222 3.921 1.00 0.00 C ATOM 893 CE LYS A 63 10.107 5.388 4.202 1.00 0.00 C ATOM 894 NZ LYS A 63 10.376 5.612 5.649 1.00 0.00 N ATOM 0 H LYS A 63 5.793 8.385 2.356 1.00 0.00 H new ATOM 0 HA LYS A 63 6.717 5.820 1.631 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.924 7.249 4.156 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.108 5.507 4.221 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.307 7.112 2.954 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.145 7.165 4.698 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.164 4.633 4.716 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.486 4.666 2.994 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.642 4.499 3.867 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.494 6.229 3.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.312 5.229 5.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.356 6.632 5.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.648 5.132 6.216 1.00 0.00 H new ATOM 908 N TYR A 64 4.795 4.278 1.529 1.00 0.00 N ATOM 909 CA TYR A 64 3.664 3.369 1.391 1.00 0.00 C ATOM 910 C TYR A 64 3.971 2.017 2.028 1.00 0.00 C ATOM 911 O TYR A 64 4.946 1.358 1.669 1.00 0.00 O ATOM 912 CB TYR A 64 3.310 3.182 -0.085 1.00 0.00 C ATOM 913 CG TYR A 64 3.349 4.464 -0.885 1.00 0.00 C ATOM 914 CD1 TYR A 64 2.491 5.517 -0.589 1.00 0.00 C ATOM 915 CD2 TYR A 64 4.243 4.624 -1.936 1.00 0.00 C ATOM 916 CE1 TYR A 64 2.522 6.690 -1.317 1.00 0.00 C ATOM 917 CE2 TYR A 64 4.282 5.795 -2.668 1.00 0.00 C ATOM 918 CZ TYR A 64 3.420 6.825 -2.355 1.00 0.00 C ATOM 919 OH TYR A 64 3.455 7.992 -3.083 1.00 0.00 O ATOM 0 H TYR A 64 5.660 3.941 1.107 1.00 0.00 H new ATOM 0 HA TYR A 64 2.812 3.809 1.909 1.00 0.00 H new ATOM 0 HB2 TYR A 64 4.002 2.466 -0.528 1.00 0.00 H new ATOM 0 HB3 TYR A 64 2.313 2.748 -0.158 1.00 0.00 H new ATOM 0 HD1 TYR A 64 1.788 5.416 0.225 1.00 0.00 H new ATOM 0 HD2 TYR A 64 4.919 3.819 -2.185 1.00 0.00 H new ATOM 0 HE1 TYR A 64 1.847 7.497 -1.075 1.00 0.00 H new ATOM 0 HE2 TYR A 64 4.984 5.903 -3.481 1.00 0.00 H new ATOM 0 HH TYR A 64 2.614 8.096 -3.575 1.00 0.00 H new ATOM 929 N GLN A 65 3.130 1.611 2.974 1.00 0.00 N ATOM 930 CA GLN A 65 3.311 0.338 3.661 1.00 0.00 C ATOM 931 C GLN A 65 2.575 -0.783 2.934 1.00 0.00 C ATOM 932 O GLN A 65 1.595 -0.540 2.228 1.00 0.00 O ATOM 933 CB GLN A 65 2.814 0.438 5.104 1.00 0.00 C ATOM 934 CG GLN A 65 2.959 -0.856 5.889 1.00 0.00 C ATOM 935 CD GLN A 65 2.261 -0.805 7.233 1.00 0.00 C ATOM 936 OE1 GLN A 65 2.903 -0.656 8.274 1.00 0.00 O ATOM 937 NE2 GLN A 65 0.939 -0.928 7.219 1.00 0.00 N ATOM 0 H GLN A 65 2.317 2.145 3.282 1.00 0.00 H new ATOM 0 HA GLN A 65 4.376 0.105 3.666 1.00 0.00 H new ATOM 0 HB2 GLN A 65 3.365 1.227 5.615 1.00 0.00 H new ATOM 0 HB3 GLN A 65 1.765 0.734 5.098 1.00 0.00 H new ATOM 0 HG2 GLN A 65 2.551 -1.679 5.303 1.00 0.00 H new ATOM 0 HG3 GLN A 65 4.017 -1.067 6.041 1.00 0.00 H new ATOM 0 HE21 GLN A 65 0.447 -1.050 6.334 1.00 0.00 H new ATOM 0 HE22 GLN A 65 0.415 -0.901 8.094 1.00 0.00 H new ATOM 946 N VAL A 66 3.054 -2.010 3.109 1.00 0.00 N ATOM 947 CA VAL A 66 2.441 -3.168 2.470 1.00 0.00 C ATOM 948 C VAL A 66 2.197 -4.287 3.477 1.00 0.00 C ATOM 949 O VAL A 66 3.107 -5.046 3.810 1.00 0.00 O ATOM 950 CB VAL A 66 3.319 -3.707 1.325 1.00 0.00 C ATOM 951 CG1 VAL A 66 2.665 -4.917 0.675 1.00 0.00 C ATOM 952 CG2 VAL A 66 3.581 -2.616 0.297 1.00 0.00 C ATOM 0 H VAL A 66 3.865 -2.228 3.688 1.00 0.00 H new ATOM 0 HA VAL A 66 1.487 -2.836 2.062 1.00 0.00 H new ATOM 0 HB VAL A 66 4.276 -4.021 1.741 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.300 -5.284 -0.132 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.533 -5.703 1.419 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.693 -4.632 0.271 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.203 -3.014 -0.505 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.633 -2.270 -0.116 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.095 -1.782 0.775 1.00 0.00 H new ATOM 962 N ASP A 67 0.963 -4.383 3.959 1.00 0.00 N ATOM 963 CA ASP A 67 0.597 -5.410 4.927 1.00 0.00 C ATOM 964 C ASP A 67 -0.142 -6.559 4.249 1.00 0.00 C ATOM 965 O ASP A 67 -1.291 -6.411 3.831 1.00 0.00 O ATOM 966 CB ASP A 67 -0.272 -4.811 6.034 1.00 0.00 C ATOM 967 CG ASP A 67 -0.703 -5.845 7.056 1.00 0.00 C ATOM 968 OD1 ASP A 67 0.056 -6.078 8.020 1.00 0.00 O ATOM 969 OD2 ASP A 67 -1.798 -6.421 6.891 1.00 0.00 O ATOM 0 H ASP A 67 0.199 -3.761 3.695 1.00 0.00 H new ATOM 0 HA ASP A 67 1.514 -5.802 5.367 1.00 0.00 H new ATOM 0 HB2 ASP A 67 0.281 -4.017 6.536 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.156 -4.353 5.590 1.00 0.00 H new ATOM 974 N LEU A 68 0.525 -7.702 4.140 1.00 0.00 N ATOM 975 CA LEU A 68 -0.068 -8.877 3.511 1.00 0.00 C ATOM 976 C LEU A 68 -1.250 -9.392 4.325 1.00 0.00 C ATOM 977 O LEU A 68 -2.342 -9.591 3.795 1.00 0.00 O ATOM 978 CB LEU A 68 0.980 -9.981 3.357 1.00 0.00 C ATOM 979 CG LEU A 68 1.864 -9.899 2.113 1.00 0.00 C ATOM 980 CD1 LEU A 68 1.049 -10.174 0.859 1.00 0.00 C ATOM 981 CD2 LEU A 68 2.537 -8.536 2.025 1.00 0.00 C ATOM 0 H LEU A 68 1.477 -7.841 4.479 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.429 -8.587 2.524 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.623 -9.969 4.237 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.467 -10.943 3.351 1.00 0.00 H new ATOM 0 HG LEU A 68 2.639 -10.661 2.192 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.696 -10.111 -0.016 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.615 -11.172 0.919 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.251 -9.436 0.774 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.162 -8.496 1.133 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.776 -7.757 1.970 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.155 -8.378 2.909 1.00 0.00 H new ATOM 993 N GLY A 69 -1.024 -9.606 5.618 1.00 0.00 N ATOM 994 CA GLY A 69 -2.081 -10.094 6.485 1.00 0.00 C ATOM 995 C GLY A 69 -1.543 -10.808 7.709 1.00 0.00 C ATOM 996 O GLY A 69 -1.323 -10.190 8.750 1.00 0.00 O ATOM 0 H GLY A 69 -0.128 -9.450 6.080 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.703 -9.257 6.801 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.722 -10.774 5.924 1.00 0.00 H new ATOM 1000 N ASP A 70 -1.332 -12.114 7.584 1.00 0.00 N ATOM 1001 CA ASP A 70 -0.817 -12.914 8.689 1.00 0.00 C ATOM 1002 C ASP A 70 0.286 -13.854 8.212 1.00 0.00 C ATOM 1003 O ASP A 70 0.049 -15.037 7.976 1.00 0.00 O ATOM 1004 CB ASP A 70 -1.946 -13.720 9.333 1.00 0.00 C ATOM 1005 CG ASP A 70 -1.590 -14.207 10.724 1.00 0.00 C ATOM 1006 OD1 ASP A 70 -0.624 -14.989 10.849 1.00 0.00 O ATOM 1007 OD2 ASP A 70 -2.276 -13.806 11.687 1.00 0.00 O ATOM 0 H ASP A 70 -1.510 -12.641 6.729 1.00 0.00 H new ATOM 0 HA ASP A 70 -0.396 -12.235 9.431 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -2.844 -13.104 9.386 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.183 -14.576 8.701 1.00 0.00 H new ATOM 1012 N GLY A 71 1.494 -13.316 8.071 1.00 0.00 N ATOM 1013 CA GLY A 71 2.616 -14.120 7.621 1.00 0.00 C ATOM 1014 C GLY A 71 3.775 -13.275 7.130 1.00 0.00 C ATOM 1015 O GLY A 71 4.917 -13.476 7.542 1.00 0.00 O ATOM 0 H GLY A 71 1.716 -12.339 8.260 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.955 -14.756 8.439 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.287 -14.781 6.819 1.00 0.00 H new ATOM 1019 N PHE A 72 3.481 -12.329 6.244 1.00 0.00 N ATOM 1020 CA PHE A 72 4.508 -11.452 5.694 1.00 0.00 C ATOM 1021 C PHE A 72 4.192 -9.990 5.992 1.00 0.00 C ATOM 1022 O PHE A 72 3.050 -9.549 5.860 1.00 0.00 O ATOM 1023 CB PHE A 72 4.630 -11.661 4.183 1.00 0.00 C ATOM 1024 CG PHE A 72 5.980 -11.296 3.634 1.00 0.00 C ATOM 1025 CD1 PHE A 72 7.137 -11.753 4.245 1.00 0.00 C ATOM 1026 CD2 PHE A 72 6.092 -10.497 2.508 1.00 0.00 C ATOM 1027 CE1 PHE A 72 8.380 -11.418 3.743 1.00 0.00 C ATOM 1028 CE2 PHE A 72 7.333 -10.159 2.001 1.00 0.00 C ATOM 1029 CZ PHE A 72 8.478 -10.621 2.619 1.00 0.00 C ATOM 0 H PHE A 72 2.541 -12.150 5.892 1.00 0.00 H new ATOM 0 HA PHE A 72 5.457 -11.704 6.167 1.00 0.00 H new ATOM 0 HB2 PHE A 72 4.423 -12.706 3.951 1.00 0.00 H new ATOM 0 HB3 PHE A 72 3.869 -11.065 3.679 1.00 0.00 H new ATOM 0 HD1 PHE A 72 7.066 -12.378 5.123 1.00 0.00 H new ATOM 0 HD2 PHE A 72 5.199 -10.134 2.020 1.00 0.00 H new ATOM 0 HE1 PHE A 72 9.274 -11.779 4.229 1.00 0.00 H new ATOM 0 HE2 PHE A 72 7.407 -9.535 1.123 1.00 0.00 H new ATOM 0 HZ PHE A 72 9.449 -10.360 2.224 1.00 0.00 H new ATOM 1039 N LYS A 73 5.212 -9.241 6.398 1.00 0.00 N ATOM 1040 CA LYS A 73 5.046 -7.828 6.715 1.00 0.00 C ATOM 1041 C LYS A 73 6.254 -7.020 6.251 1.00 0.00 C ATOM 1042 O LYS A 73 7.376 -7.252 6.697 1.00 0.00 O ATOM 1043 CB LYS A 73 4.844 -7.643 8.221 1.00 0.00 C ATOM 1044 CG LYS A 73 3.445 -7.995 8.695 1.00 0.00 C ATOM 1045 CD LYS A 73 3.261 -7.681 10.170 1.00 0.00 C ATOM 1046 CE LYS A 73 2.099 -8.462 10.765 1.00 0.00 C ATOM 1047 NZ LYS A 73 0.798 -7.768 10.555 1.00 0.00 N ATOM 0 H LYS A 73 6.163 -9.590 6.515 1.00 0.00 H new ATOM 0 HA LYS A 73 4.164 -7.464 6.188 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.566 -8.262 8.754 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.057 -6.607 8.483 1.00 0.00 H new ATOM 0 HG2 LYS A 73 2.711 -7.441 8.110 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.257 -9.054 8.521 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.177 -7.920 10.711 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.086 -6.613 10.297 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.059 -9.453 10.313 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.266 -8.605 11.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.026 -8.465 10.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.651 -7.070 11.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 0.807 -7.284 9.635 1.00 0.00 H new ATOM 1061 N ALA A 74 6.014 -6.071 5.352 1.00 0.00 N ATOM 1062 CA ALA A 74 7.082 -5.226 4.830 1.00 0.00 C ATOM 1063 C ALA A 74 6.551 -3.853 4.432 1.00 0.00 C ATOM 1064 O ALA A 74 5.340 -3.642 4.362 1.00 0.00 O ATOM 1065 CB ALA A 74 7.753 -5.899 3.642 1.00 0.00 C ATOM 0 H ALA A 74 5.090 -5.868 4.970 1.00 0.00 H new ATOM 0 HA ALA A 74 7.820 -5.086 5.620 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.548 -5.258 3.262 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.175 -6.854 3.955 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.017 -6.068 2.856 1.00 0.00 H new ATOM 1071 N MET A 75 7.464 -2.923 4.173 1.00 0.00 N ATOM 1072 CA MET A 75 7.086 -1.570 3.782 1.00 0.00 C ATOM 1073 C MET A 75 8.003 -1.047 2.680 1.00 0.00 C ATOM 1074 O MET A 75 9.217 -0.954 2.862 1.00 0.00 O ATOM 1075 CB MET A 75 7.137 -0.634 4.991 1.00 0.00 C ATOM 1076 CG MET A 75 7.005 0.836 4.627 1.00 0.00 C ATOM 1077 SD MET A 75 7.669 1.929 5.899 1.00 0.00 S ATOM 1078 CE MET A 75 9.305 2.252 5.247 1.00 0.00 C ATOM 0 H MET A 75 8.470 -3.081 4.227 1.00 0.00 H new ATOM 0 HA MET A 75 6.066 -1.600 3.398 1.00 0.00 H new ATOM 0 HB2 MET A 75 6.338 -0.902 5.682 1.00 0.00 H new ATOM 0 HB3 MET A 75 8.079 -0.786 5.519 1.00 0.00 H new ATOM 0 HG2 MET A 75 7.524 1.022 3.687 1.00 0.00 H new ATOM 0 HG3 MET A 75 5.954 1.073 4.463 1.00 0.00 H new ATOM 0 HE1 MET A 75 9.796 3.011 5.856 1.00 0.00 H new ATOM 0 HE2 MET A 75 9.893 1.334 5.267 1.00 0.00 H new ATOM 0 HE3 MET A 75 9.224 2.608 4.220 1.00 0.00 H new ATOM 1088 N TYR A 76 7.414 -0.708 1.539 1.00 0.00 N ATOM 1089 CA TYR A 76 8.179 -0.197 0.407 1.00 0.00 C ATOM 1090 C TYR A 76 7.969 1.305 0.242 1.00 0.00 C ATOM 1091 O TYR A 76 6.836 1.784 0.185 1.00 0.00 O ATOM 1092 CB TYR A 76 7.776 -0.924 -0.877 1.00 0.00 C ATOM 1093 CG TYR A 76 7.579 -2.412 -0.695 1.00 0.00 C ATOM 1094 CD1 TYR A 76 8.558 -3.193 -0.093 1.00 0.00 C ATOM 1095 CD2 TYR A 76 6.415 -3.036 -1.124 1.00 0.00 C ATOM 1096 CE1 TYR A 76 8.383 -4.553 0.075 1.00 0.00 C ATOM 1097 CE2 TYR A 76 6.231 -4.395 -0.959 1.00 0.00 C ATOM 1098 CZ TYR A 76 7.218 -5.150 -0.359 1.00 0.00 C ATOM 1099 OH TYR A 76 7.039 -6.504 -0.193 1.00 0.00 O ATOM 0 H TYR A 76 6.410 -0.778 1.373 1.00 0.00 H new ATOM 0 HA TYR A 76 9.236 -0.378 0.603 1.00 0.00 H new ATOM 0 HB2 TYR A 76 6.852 -0.488 -1.257 1.00 0.00 H new ATOM 0 HB3 TYR A 76 8.542 -0.758 -1.634 1.00 0.00 H new ATOM 0 HD1 TYR A 76 9.471 -2.729 0.249 1.00 0.00 H new ATOM 0 HD2 TYR A 76 5.640 -2.449 -1.595 1.00 0.00 H new ATOM 0 HE1 TYR A 76 9.155 -5.146 0.544 1.00 0.00 H new ATOM 0 HE2 TYR A 76 5.319 -4.864 -1.298 1.00 0.00 H new ATOM 0 HH TYR A 76 6.165 -6.765 -0.552 1.00 0.00 H new ATOM 1109 N VAL A 77 9.071 2.045 0.164 1.00 0.00 N ATOM 1110 CA VAL A 77 9.010 3.493 0.004 1.00 0.00 C ATOM 1111 C VAL A 77 9.176 3.891 -1.459 1.00 0.00 C ATOM 1112 O VAL A 77 9.989 3.314 -2.181 1.00 0.00 O ATOM 1113 CB VAL A 77 10.094 4.196 0.842 1.00 0.00 C ATOM 1114 CG1 VAL A 77 11.481 3.775 0.384 1.00 0.00 C ATOM 1115 CG2 VAL A 77 9.932 5.707 0.761 1.00 0.00 C ATOM 0 H VAL A 77 10.017 1.665 0.209 1.00 0.00 H new ATOM 0 HA VAL A 77 8.028 3.810 0.355 1.00 0.00 H new ATOM 0 HB VAL A 77 9.976 3.895 1.883 1.00 0.00 H new ATOM 0 HG11 VAL A 77 12.233 4.282 0.988 1.00 0.00 H new ATOM 0 HG12 VAL A 77 11.590 2.697 0.499 1.00 0.00 H new ATOM 0 HG13 VAL A 77 11.615 4.044 -0.664 1.00 0.00 H new ATOM 0 HG21 VAL A 77 10.706 6.188 1.359 1.00 0.00 H new ATOM 0 HG22 VAL A 77 10.023 6.028 -0.277 1.00 0.00 H new ATOM 0 HG23 VAL A 77 8.951 5.989 1.143 1.00 0.00 H new ATOM 1125 N ASN A 78 8.401 4.881 -1.888 1.00 0.00 N ATOM 1126 CA ASN A 78 8.463 5.357 -3.265 1.00 0.00 C ATOM 1127 C ASN A 78 8.060 4.255 -4.240 1.00 0.00 C ATOM 1128 O ASN A 78 8.470 4.259 -5.402 1.00 0.00 O ATOM 1129 CB ASN A 78 9.872 5.854 -3.593 1.00 0.00 C ATOM 1130 CG ASN A 78 10.459 6.703 -2.481 1.00 0.00 C ATOM 1131 OD1 ASN A 78 9.745 7.450 -1.813 1.00 0.00 O ATOM 1132 ND2 ASN A 78 11.767 6.591 -2.280 1.00 0.00 N ATOM 0 H ASN A 78 7.723 5.369 -1.303 1.00 0.00 H new ATOM 0 HA ASN A 78 7.761 6.184 -3.369 1.00 0.00 H new ATOM 0 HB2 ASN A 78 10.523 4.999 -3.776 1.00 0.00 H new ATOM 0 HB3 ASN A 78 9.844 6.436 -4.514 1.00 0.00 H new ATOM 0 HD21 ASN A 78 12.219 7.138 -1.547 1.00 0.00 H new ATOM 0 HD22 ASN A 78 12.320 5.958 -2.859 1.00 0.00 H new ATOM 1139 N LEU A 79 7.256 3.313 -3.761 1.00 0.00 N ATOM 1140 CA LEU A 79 6.797 2.203 -4.589 1.00 0.00 C ATOM 1141 C LEU A 79 6.295 2.704 -5.940 1.00 0.00 C ATOM 1142 O LEU A 79 6.586 2.114 -6.981 1.00 0.00 O ATOM 1143 CB LEU A 79 5.687 1.432 -3.874 1.00 0.00 C ATOM 1144 CG LEU A 79 5.342 0.060 -4.454 1.00 0.00 C ATOM 1145 CD1 LEU A 79 6.500 -0.907 -4.262 1.00 0.00 C ATOM 1146 CD2 LEU A 79 4.076 -0.488 -3.812 1.00 0.00 C ATOM 0 H LEU A 79 6.908 3.295 -2.802 1.00 0.00 H new ATOM 0 HA LEU A 79 7.642 1.536 -4.760 1.00 0.00 H new ATOM 0 HB2 LEU A 79 5.977 1.301 -2.831 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.785 2.044 -3.880 1.00 0.00 H new ATOM 0 HG LEU A 79 5.163 0.174 -5.523 1.00 0.00 H new ATOM 0 HD11 LEU A 79 6.236 -1.878 -4.681 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.384 -0.521 -4.769 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.711 -1.016 -3.198 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.846 -1.465 -4.237 1.00 0.00 H new ATOM 0 HD22 LEU A 79 4.226 -0.586 -2.737 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.247 0.194 -4.001 1.00 0.00 H new ATOM 1158 N THR A 80 5.541 3.799 -5.916 1.00 0.00 N ATOM 1159 CA THR A 80 4.999 4.380 -7.138 1.00 0.00 C ATOM 1160 C THR A 80 6.115 4.840 -8.070 1.00 0.00 C ATOM 1161 O THR A 80 5.983 4.776 -9.293 1.00 0.00 O ATOM 1162 CB THR A 80 4.077 5.575 -6.831 1.00 0.00 C ATOM 1163 OG1 THR A 80 4.719 6.466 -5.912 1.00 0.00 O ATOM 1164 CG2 THR A 80 2.755 5.101 -6.246 1.00 0.00 C ATOM 0 H THR A 80 5.292 4.301 -5.064 1.00 0.00 H new ATOM 0 HA THR A 80 4.418 3.599 -7.629 1.00 0.00 H new ATOM 0 HB THR A 80 3.876 6.100 -7.765 1.00 0.00 H new ATOM 0 HG1 THR A 80 4.202 7.296 -5.846 1.00 0.00 H new ATOM 0 HG21 THR A 80 2.120 5.962 -6.037 1.00 0.00 H new ATOM 0 HG22 THR A 80 2.255 4.446 -6.960 1.00 0.00 H new ATOM 0 HG23 THR A 80 2.941 4.555 -5.321 1.00 0.00 H new ATOM 1172 N LEU A 81 7.214 5.304 -7.485 1.00 0.00 N ATOM 1173 CA LEU A 81 8.354 5.775 -8.263 1.00 0.00 C ATOM 1174 C LEU A 81 8.897 4.666 -9.159 1.00 0.00 C ATOM 1175 O LEU A 81 8.897 4.786 -10.384 1.00 0.00 O ATOM 1176 CB LEU A 81 9.458 6.281 -7.332 1.00 0.00 C ATOM 1177 CG LEU A 81 10.474 7.239 -7.955 1.00 0.00 C ATOM 1178 CD1 LEU A 81 11.013 8.200 -6.907 1.00 0.00 C ATOM 1179 CD2 LEU A 81 11.610 6.463 -8.605 1.00 0.00 C ATOM 0 H LEU A 81 7.339 5.364 -6.475 1.00 0.00 H new ATOM 0 HA LEU A 81 8.017 6.596 -8.896 1.00 0.00 H new ATOM 0 HB2 LEU A 81 8.990 6.781 -6.484 1.00 0.00 H new ATOM 0 HB3 LEU A 81 9.996 5.419 -6.937 1.00 0.00 H new ATOM 0 HG LEU A 81 9.970 7.821 -8.727 1.00 0.00 H new ATOM 0 HD11 LEU A 81 11.735 8.874 -7.368 1.00 0.00 H new ATOM 0 HD12 LEU A 81 10.191 8.780 -6.488 1.00 0.00 H new ATOM 0 HD13 LEU A 81 11.501 7.636 -6.112 1.00 0.00 H new ATOM 0 HD21 LEU A 81 12.323 7.161 -9.043 1.00 0.00 H new ATOM 0 HD22 LEU A 81 12.112 5.855 -7.853 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.209 5.816 -9.385 1.00 0.00 H new ATOM 1191 N THR A 82 9.360 3.585 -8.539 1.00 0.00 N ATOM 1192 CA THR A 82 9.905 2.453 -9.279 1.00 0.00 C ATOM 1193 C THR A 82 8.855 1.841 -10.199 1.00 0.00 C ATOM 1194 O THR A 82 9.182 1.282 -11.245 1.00 0.00 O ATOM 1195 CB THR A 82 10.436 1.364 -8.329 1.00 0.00 C ATOM 1196 OG1 THR A 82 9.409 0.969 -7.413 1.00 0.00 O ATOM 1197 CG2 THR A 82 11.647 1.864 -7.555 1.00 0.00 C ATOM 0 H THR A 82 9.368 3.469 -7.526 1.00 0.00 H new ATOM 0 HA THR A 82 10.731 2.836 -9.879 1.00 0.00 H new ATOM 0 HB THR A 82 10.737 0.505 -8.929 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.603 1.502 -7.575 1.00 0.00 H new ATOM 0 HG21 THR A 82 12.004 1.077 -6.891 1.00 0.00 H new ATOM 0 HG22 THR A 82 12.438 2.136 -8.254 1.00 0.00 H new ATOM 0 HG23 THR A 82 11.367 2.737 -6.966 1.00 0.00 H new ATOM 1205 N GLY A 83 7.590 1.952 -9.803 1.00 0.00 N ATOM 1206 CA GLY A 83 6.511 1.405 -10.605 1.00 0.00 C ATOM 1207 C GLY A 83 6.602 -0.101 -10.749 1.00 0.00 C ATOM 1208 O GLY A 83 6.342 -0.645 -11.822 1.00 0.00 O ATOM 0 H GLY A 83 7.294 2.411 -8.942 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.556 1.666 -10.150 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.529 1.863 -11.594 1.00 0.00 H new ATOM 1212 N GLU A 84 6.974 -0.777 -9.666 1.00 0.00 N ATOM 1213 CA GLU A 84 7.101 -2.229 -9.678 1.00 0.00 C ATOM 1214 C GLU A 84 5.990 -2.880 -8.859 1.00 0.00 C ATOM 1215 O GLU A 84 5.610 -2.400 -7.791 1.00 0.00 O ATOM 1216 CB GLU A 84 8.467 -2.649 -9.130 1.00 0.00 C ATOM 1217 CG GLU A 84 9.615 -2.387 -10.090 1.00 0.00 C ATOM 1218 CD GLU A 84 9.841 -3.534 -11.056 1.00 0.00 C ATOM 1219 OE1 GLU A 84 10.311 -4.601 -10.611 1.00 0.00 O ATOM 1220 OE2 GLU A 84 9.546 -3.363 -12.258 1.00 0.00 O ATOM 0 H GLU A 84 7.193 -0.342 -8.770 1.00 0.00 H new ATOM 0 HA GLU A 84 7.013 -2.567 -10.711 1.00 0.00 H new ATOM 0 HB2 GLU A 84 8.655 -2.116 -8.198 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.441 -3.712 -8.889 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.412 -1.477 -10.654 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.527 -2.212 -9.520 1.00 0.00 H new ATOM 1227 N PRO A 85 5.456 -3.999 -9.371 1.00 0.00 N ATOM 1228 CA PRO A 85 4.381 -4.739 -8.704 1.00 0.00 C ATOM 1229 C PRO A 85 4.858 -5.431 -7.431 1.00 0.00 C ATOM 1230 O PRO A 85 6.059 -5.545 -7.188 1.00 0.00 O ATOM 1231 CB PRO A 85 3.962 -5.774 -9.750 1.00 0.00 C ATOM 1232 CG PRO A 85 5.168 -5.961 -10.603 1.00 0.00 C ATOM 1233 CD PRO A 85 5.861 -4.627 -10.639 1.00 0.00 C ATOM 0 HA PRO A 85 3.571 -4.083 -8.385 1.00 0.00 H new ATOM 0 HB2 PRO A 85 3.660 -6.710 -9.281 1.00 0.00 H new ATOM 0 HB3 PRO A 85 3.113 -5.423 -10.336 1.00 0.00 H new ATOM 0 HG2 PRO A 85 5.822 -6.729 -10.191 1.00 0.00 H new ATOM 0 HG3 PRO A 85 4.890 -6.284 -11.606 1.00 0.00 H new ATOM 0 HD2 PRO A 85 6.943 -4.738 -10.705 1.00 0.00 H new ATOM 0 HD3 PRO A 85 5.548 -4.035 -11.499 1.00 0.00 H new ATOM 1241 N ILE A 86 3.909 -5.892 -6.623 1.00 0.00 N ATOM 1242 CA ILE A 86 4.232 -6.574 -5.376 1.00 0.00 C ATOM 1243 C ILE A 86 3.992 -8.075 -5.493 1.00 0.00 C ATOM 1244 O ILE A 86 2.880 -8.555 -5.273 1.00 0.00 O ATOM 1245 CB ILE A 86 3.403 -6.023 -4.201 1.00 0.00 C ATOM 1246 CG1 ILE A 86 3.689 -4.533 -4.002 1.00 0.00 C ATOM 1247 CG2 ILE A 86 3.706 -6.800 -2.929 1.00 0.00 C ATOM 1248 CD1 ILE A 86 2.511 -3.761 -3.449 1.00 0.00 C ATOM 0 H ILE A 86 2.910 -5.805 -6.810 1.00 0.00 H new ATOM 0 HA ILE A 86 5.289 -6.391 -5.181 1.00 0.00 H new ATOM 0 HB ILE A 86 2.345 -6.143 -4.434 1.00 0.00 H new ATOM 0 HG12 ILE A 86 4.536 -4.421 -3.326 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.983 -4.097 -4.957 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.112 -6.399 -2.107 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.458 -7.851 -3.077 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.765 -6.708 -2.690 1.00 0.00 H new ATOM 0 HD11 ILE A 86 2.785 -2.712 -3.334 1.00 0.00 H new ATOM 0 HD12 ILE A 86 1.668 -3.842 -4.135 1.00 0.00 H new ATOM 0 HD13 ILE A 86 2.230 -4.171 -2.479 1.00 0.00 H new ATOM 1260 N ARG A 87 5.043 -8.812 -5.838 1.00 0.00 N ATOM 1261 CA ARG A 87 4.947 -10.259 -5.983 1.00 0.00 C ATOM 1262 C ARG A 87 5.176 -10.956 -4.645 1.00 0.00 C ATOM 1263 O ARG A 87 6.234 -10.812 -4.030 1.00 0.00 O ATOM 1264 CB ARG A 87 5.965 -10.759 -7.010 1.00 0.00 C ATOM 1265 CG ARG A 87 5.652 -12.144 -7.553 1.00 0.00 C ATOM 1266 CD ARG A 87 6.571 -12.510 -8.708 1.00 0.00 C ATOM 1267 NE ARG A 87 7.797 -13.157 -8.249 1.00 0.00 N ATOM 1268 CZ ARG A 87 7.876 -14.446 -7.938 1.00 0.00 C ATOM 1269 NH1 ARG A 87 6.805 -15.222 -8.037 1.00 0.00 N ATOM 1270 NH2 ARG A 87 9.028 -14.961 -7.527 1.00 0.00 N ATOM 0 H ARG A 87 5.971 -8.430 -6.022 1.00 0.00 H new ATOM 0 HA ARG A 87 3.942 -10.498 -6.331 1.00 0.00 H new ATOM 0 HB2 ARG A 87 6.008 -10.054 -7.840 1.00 0.00 H new ATOM 0 HB3 ARG A 87 6.954 -10.772 -6.552 1.00 0.00 H new ATOM 0 HG2 ARG A 87 5.756 -12.881 -6.756 1.00 0.00 H new ATOM 0 HG3 ARG A 87 4.615 -12.180 -7.886 1.00 0.00 H new ATOM 0 HD2 ARG A 87 6.045 -13.175 -9.393 1.00 0.00 H new ATOM 0 HD3 ARG A 87 6.824 -11.610 -9.269 1.00 0.00 H new ATOM 0 HE ARG A 87 8.639 -12.588 -8.162 1.00 0.00 H new ATOM 0 HH11 ARG A 87 5.918 -14.829 -8.353 1.00 0.00 H new ATOM 0 HH12 ARG A 87 6.868 -16.211 -7.798 1.00 0.00 H new ATOM 0 HH21 ARG A 87 9.854 -14.367 -7.450 1.00 0.00 H new ATOM 0 HH22 ARG A 87 9.088 -15.951 -7.288 1.00 0.00 H new ATOM 1284 N HIS A 88 4.177 -11.711 -4.198 1.00 0.00 N ATOM 1285 CA HIS A 88 4.269 -12.431 -2.933 1.00 0.00 C ATOM 1286 C HIS A 88 3.237 -13.553 -2.869 1.00 0.00 C ATOM 1287 O HIS A 88 2.073 -13.358 -3.219 1.00 0.00 O ATOM 1288 CB HIS A 88 4.069 -11.471 -1.760 1.00 0.00 C ATOM 1289 CG HIS A 88 3.971 -12.158 -0.433 1.00 0.00 C ATOM 1290 ND1 HIS A 88 2.772 -12.395 0.205 1.00 0.00 N ATOM 1291 CD2 HIS A 88 4.932 -12.662 0.376 1.00 0.00 C ATOM 1292 CE1 HIS A 88 3.000 -13.013 1.350 1.00 0.00 C ATOM 1293 NE2 HIS A 88 4.303 -13.187 1.477 1.00 0.00 N ATOM 0 H HIS A 88 3.295 -11.840 -4.693 1.00 0.00 H new ATOM 0 HA HIS A 88 5.263 -12.872 -2.867 1.00 0.00 H new ATOM 0 HB2 HIS A 88 4.899 -10.765 -1.734 1.00 0.00 H new ATOM 0 HB3 HIS A 88 3.162 -10.890 -1.927 1.00 0.00 H new ATOM 0 HD2 HIS A 88 5.996 -12.653 0.190 1.00 0.00 H new ATOM 0 HE1 HIS A 88 2.249 -13.323 2.061 1.00 0.00 H new ATOM 0 HE2 HIS A 88 4.767 -13.638 2.265 1.00 0.00 H new ATOM 1302 N ARG A 89 3.672 -14.726 -2.422 1.00 0.00 N ATOM 1303 CA ARG A 89 2.787 -15.879 -2.315 1.00 0.00 C ATOM 1304 C ARG A 89 2.436 -16.162 -0.857 1.00 0.00 C ATOM 1305 O ARG A 89 3.133 -15.720 0.057 1.00 0.00 O ATOM 1306 CB ARG A 89 3.441 -17.112 -2.941 1.00 0.00 C ATOM 1307 CG ARG A 89 4.713 -17.551 -2.235 1.00 0.00 C ATOM 1308 CD ARG A 89 4.961 -19.041 -2.409 1.00 0.00 C ATOM 1309 NE ARG A 89 6.361 -19.393 -2.186 1.00 0.00 N ATOM 1310 CZ ARG A 89 7.326 -19.159 -3.067 1.00 0.00 C ATOM 1311 NH1 ARG A 89 7.045 -18.576 -4.224 1.00 0.00 N ATOM 1312 NH2 ARG A 89 8.577 -19.509 -2.792 1.00 0.00 N ATOM 0 H ARG A 89 4.633 -14.903 -2.128 1.00 0.00 H new ATOM 0 HA ARG A 89 1.868 -15.650 -2.855 1.00 0.00 H new ATOM 0 HB2 ARG A 89 2.727 -17.936 -2.931 1.00 0.00 H new ATOM 0 HB3 ARG A 89 3.670 -16.901 -3.986 1.00 0.00 H new ATOM 0 HG2 ARG A 89 5.561 -16.991 -2.630 1.00 0.00 H new ATOM 0 HG3 ARG A 89 4.641 -17.315 -1.173 1.00 0.00 H new ATOM 0 HD2 ARG A 89 4.332 -19.597 -1.713 1.00 0.00 H new ATOM 0 HD3 ARG A 89 4.667 -19.342 -3.414 1.00 0.00 H new ATOM 0 HE ARG A 89 6.611 -19.843 -1.305 1.00 0.00 H new ATOM 0 HH11 ARG A 89 6.085 -18.306 -4.439 1.00 0.00 H new ATOM 0 HH12 ARG A 89 7.789 -18.397 -4.899 1.00 0.00 H new ATOM 0 HH21 ARG A 89 8.797 -19.958 -1.903 1.00 0.00 H new ATOM 0 HH22 ARG A 89 9.318 -19.329 -3.470 1.00 0.00 H new ATOM 1326 N TYR A 90 1.351 -16.899 -0.647 1.00 0.00 N ATOM 1327 CA TYR A 90 0.906 -17.238 0.699 1.00 0.00 C ATOM 1328 C TYR A 90 1.320 -18.659 1.068 1.00 0.00 C ATOM 1329 O TYR A 90 0.858 -19.628 0.465 1.00 0.00 O ATOM 1330 CB TYR A 90 -0.613 -17.092 0.809 1.00 0.00 C ATOM 1331 CG TYR A 90 -1.080 -15.655 0.870 1.00 0.00 C ATOM 1332 CD1 TYR A 90 -0.717 -14.830 1.927 1.00 0.00 C ATOM 1333 CD2 TYR A 90 -1.884 -15.123 -0.131 1.00 0.00 C ATOM 1334 CE1 TYR A 90 -1.143 -13.517 1.986 1.00 0.00 C ATOM 1335 CE2 TYR A 90 -2.313 -13.811 -0.080 1.00 0.00 C ATOM 1336 CZ TYR A 90 -1.940 -13.012 0.981 1.00 0.00 C ATOM 1337 OH TYR A 90 -2.365 -11.705 1.036 1.00 0.00 O ATOM 0 H TYR A 90 0.763 -17.273 -1.392 1.00 0.00 H new ATOM 0 HA TYR A 90 1.382 -16.548 1.396 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -1.080 -17.581 -0.046 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -0.956 -17.615 1.702 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -0.091 -15.221 2.716 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.178 -15.746 -0.963 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -0.853 -12.889 2.816 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -2.937 -13.413 -0.866 1.00 0.00 H new ATOM 0 HH TYR A 90 -2.917 -11.507 0.251 1.00 0.00 H new ATOM 1347 N GLU A 91 2.193 -18.775 2.064 1.00 0.00 N ATOM 1348 CA GLU A 91 2.669 -20.078 2.513 1.00 0.00 C ATOM 1349 C GLU A 91 1.500 -20.993 2.865 1.00 0.00 C ATOM 1350 O GLU A 91 1.510 -22.181 2.545 1.00 0.00 O ATOM 1351 CB GLU A 91 3.589 -19.919 3.726 1.00 0.00 C ATOM 1352 CG GLU A 91 2.904 -19.302 4.933 1.00 0.00 C ATOM 1353 CD GLU A 91 3.820 -19.204 6.137 1.00 0.00 C ATOM 1354 OE1 GLU A 91 4.821 -18.461 6.063 1.00 0.00 O ATOM 1355 OE2 GLU A 91 3.536 -19.870 7.154 1.00 0.00 O ATOM 0 H GLU A 91 2.584 -17.983 2.575 1.00 0.00 H new ATOM 0 HA GLU A 91 3.230 -20.532 1.696 1.00 0.00 H new ATOM 0 HB2 GLU A 91 3.983 -20.897 4.003 1.00 0.00 H new ATOM 0 HB3 GLU A 91 4.441 -19.299 3.446 1.00 0.00 H new ATOM 0 HG2 GLU A 91 2.545 -18.306 4.673 1.00 0.00 H new ATOM 0 HG3 GLU A 91 2.030 -19.898 5.194 1.00 0.00 H new ATOM 1362 N SER A 92 0.494 -20.430 3.527 1.00 0.00 N ATOM 1363 CA SER A 92 -0.681 -21.195 3.927 1.00 0.00 C ATOM 1364 C SER A 92 -1.962 -20.488 3.497 1.00 0.00 C ATOM 1365 O SER A 92 -2.013 -19.264 3.368 1.00 0.00 O ATOM 1366 CB SER A 92 -0.686 -21.408 5.442 1.00 0.00 C ATOM 1367 OG SER A 92 -0.782 -20.172 6.130 1.00 0.00 O ATOM 0 H SER A 92 0.469 -19.447 3.798 1.00 0.00 H new ATOM 0 HA SER A 92 -0.638 -22.165 3.431 1.00 0.00 H new ATOM 0 HB2 SER A 92 -1.523 -22.048 5.720 1.00 0.00 H new ATOM 0 HB3 SER A 92 0.225 -21.926 5.743 1.00 0.00 H new ATOM 0 HG SER A 92 -0.785 -20.335 7.096 1.00 0.00 H new ATOM 1373 N PRO A 93 -3.024 -21.275 3.270 1.00 0.00 N ATOM 1374 CA PRO A 93 -4.326 -20.747 2.851 1.00 0.00 C ATOM 1375 C PRO A 93 -5.019 -19.966 3.962 1.00 0.00 C ATOM 1376 O PRO A 93 -4.547 -19.932 5.098 1.00 0.00 O ATOM 1377 CB PRO A 93 -5.124 -22.006 2.504 1.00 0.00 C ATOM 1378 CG PRO A 93 -4.496 -23.088 3.312 1.00 0.00 C ATOM 1379 CD PRO A 93 -3.036 -22.741 3.405 1.00 0.00 C ATOM 0 HA PRO A 93 -4.234 -20.043 2.024 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.179 -21.887 2.753 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.071 -22.227 1.438 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -4.947 -23.147 4.303 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.637 -24.060 2.839 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -2.607 -23.060 4.355 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -2.458 -23.222 2.616 1.00 0.00 H new ATOM 1387 N GLY A 94 -6.143 -19.340 3.627 1.00 0.00 N ATOM 1388 CA GLY A 94 -6.884 -18.569 4.608 1.00 0.00 C ATOM 1389 C GLY A 94 -7.021 -17.111 4.216 1.00 0.00 C ATOM 1390 O GLY A 94 -6.043 -16.470 3.830 1.00 0.00 O ATOM 0 H GLY A 94 -6.554 -19.353 2.693 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -7.876 -19.003 4.733 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -6.382 -18.637 5.573 1.00 0.00 H new ATOM 1394 N ILE A 95 -8.238 -16.586 4.312 1.00 0.00 N ATOM 1395 CA ILE A 95 -8.500 -15.195 3.964 1.00 0.00 C ATOM 1396 C ILE A 95 -7.496 -14.263 4.632 1.00 0.00 C ATOM 1397 O ILE A 95 -7.354 -14.260 5.856 1.00 0.00 O ATOM 1398 CB ILE A 95 -9.925 -14.772 4.368 1.00 0.00 C ATOM 1399 CG1 ILE A 95 -10.950 -15.359 3.395 1.00 0.00 C ATOM 1400 CG2 ILE A 95 -10.034 -13.255 4.410 1.00 0.00 C ATOM 1401 CD1 ILE A 95 -11.414 -16.748 3.772 1.00 0.00 C ATOM 0 H ILE A 95 -9.058 -17.103 4.628 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.400 -15.116 2.881 1.00 0.00 H new ATOM 0 HB ILE A 95 -10.135 -15.160 5.365 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -11.814 -14.697 3.347 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -10.515 -15.389 2.396 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -11.046 -12.971 4.697 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -9.326 -12.859 5.138 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -9.808 -12.847 3.425 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -12.139 -17.101 3.039 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -10.559 -17.424 3.792 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -11.879 -16.721 4.758 1.00 0.00 H new ATOM 1413 N TYR A 96 -6.802 -13.471 3.822 1.00 0.00 N ATOM 1414 CA TYR A 96 -5.810 -12.533 4.335 1.00 0.00 C ATOM 1415 C TYR A 96 -6.287 -11.093 4.175 1.00 0.00 C ATOM 1416 O TYR A 96 -7.032 -10.774 3.248 1.00 0.00 O ATOM 1417 CB TYR A 96 -4.476 -12.724 3.612 1.00 0.00 C ATOM 1418 CG TYR A 96 -3.745 -13.985 4.012 1.00 0.00 C ATOM 1419 CD1 TYR A 96 -3.085 -14.072 5.232 1.00 0.00 C ATOM 1420 CD2 TYR A 96 -3.712 -15.090 3.170 1.00 0.00 C ATOM 1421 CE1 TYR A 96 -2.415 -15.222 5.602 1.00 0.00 C ATOM 1422 CE2 TYR A 96 -3.046 -16.245 3.532 1.00 0.00 C ATOM 1423 CZ TYR A 96 -2.399 -16.306 4.749 1.00 0.00 C ATOM 1424 OH TYR A 96 -1.733 -17.454 5.112 1.00 0.00 O ATOM 0 H TYR A 96 -6.908 -13.460 2.808 1.00 0.00 H new ATOM 0 HA TYR A 96 -5.672 -12.734 5.397 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.655 -12.743 2.537 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -3.837 -11.864 3.814 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -3.096 -13.226 5.903 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -4.216 -15.045 2.216 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -1.907 -15.272 6.554 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -3.032 -17.095 2.866 1.00 0.00 H new ATOM 0 HH TYR A 96 -2.111 -18.218 4.629 1.00 0.00 H new ATOM 1434 N ARG A 97 -5.853 -10.228 5.085 1.00 0.00 N ATOM 1435 CA ARG A 97 -6.235 -8.822 5.046 1.00 0.00 C ATOM 1436 C ARG A 97 -5.096 -7.963 4.504 1.00 0.00 C ATOM 1437 O ARG A 97 -4.051 -7.826 5.140 1.00 0.00 O ATOM 1438 CB ARG A 97 -6.631 -8.340 6.443 1.00 0.00 C ATOM 1439 CG ARG A 97 -8.002 -8.822 6.888 1.00 0.00 C ATOM 1440 CD ARG A 97 -8.662 -7.830 7.833 1.00 0.00 C ATOM 1441 NE ARG A 97 -9.609 -8.481 8.734 1.00 0.00 N ATOM 1442 CZ ARG A 97 -10.420 -7.818 9.551 1.00 0.00 C ATOM 1443 NH1 ARG A 97 -10.400 -6.492 9.579 1.00 0.00 N ATOM 1444 NH2 ARG A 97 -11.255 -8.480 10.341 1.00 0.00 N ATOM 0 H ARG A 97 -5.236 -10.476 5.859 1.00 0.00 H new ATOM 0 HA ARG A 97 -7.091 -8.723 4.378 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -5.885 -8.681 7.161 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -6.615 -7.250 6.460 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -8.637 -8.972 6.015 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -7.906 -9.789 7.382 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -7.896 -7.321 8.418 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -9.180 -7.066 7.253 1.00 0.00 H new ATOM 0 HE ARG A 97 -9.650 -9.500 8.736 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -9.761 -5.979 8.972 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -11.024 -5.986 10.207 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -11.275 -9.500 10.322 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -11.877 -7.969 10.968 1.00 0.00 H new ATOM 1458 N VAL A 98 -5.305 -7.388 3.324 1.00 0.00 N ATOM 1459 CA VAL A 98 -4.296 -6.543 2.696 1.00 0.00 C ATOM 1460 C VAL A 98 -4.592 -5.066 2.933 1.00 0.00 C ATOM 1461 O VAL A 98 -5.738 -4.628 2.834 1.00 0.00 O ATOM 1462 CB VAL A 98 -4.212 -6.801 1.180 1.00 0.00 C ATOM 1463 CG1 VAL A 98 -3.189 -5.877 0.537 1.00 0.00 C ATOM 1464 CG2 VAL A 98 -3.872 -8.258 0.906 1.00 0.00 C ATOM 0 H VAL A 98 -6.164 -7.492 2.784 1.00 0.00 H new ATOM 0 HA VAL A 98 -3.340 -6.798 3.154 1.00 0.00 H new ATOM 0 HB VAL A 98 -5.186 -6.589 0.739 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.143 -6.074 -0.534 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.480 -4.840 0.703 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -2.209 -6.054 0.980 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -3.817 -8.423 -0.170 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.911 -8.499 1.360 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -4.645 -8.898 1.332 1.00 0.00 H new ATOM 1474 N SER A 99 -3.550 -4.303 3.247 1.00 0.00 N ATOM 1475 CA SER A 99 -3.698 -2.875 3.502 1.00 0.00 C ATOM 1476 C SER A 99 -2.478 -2.105 3.005 1.00 0.00 C ATOM 1477 O SER A 99 -1.448 -2.695 2.679 1.00 0.00 O ATOM 1478 CB SER A 99 -3.901 -2.620 4.997 1.00 0.00 C ATOM 1479 OG SER A 99 -3.262 -3.618 5.776 1.00 0.00 O ATOM 0 H SER A 99 -2.594 -4.650 3.331 1.00 0.00 H new ATOM 0 HA SER A 99 -4.575 -2.523 2.958 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.503 -1.640 5.259 1.00 0.00 H new ATOM 0 HB3 SER A 99 -4.967 -2.603 5.225 1.00 0.00 H new ATOM 0 HG SER A 99 -3.405 -3.432 6.727 1.00 0.00 H new ATOM 1485 N VAL A 100 -2.603 -0.783 2.951 1.00 0.00 N ATOM 1486 CA VAL A 100 -1.511 0.070 2.494 1.00 0.00 C ATOM 1487 C VAL A 100 -1.539 1.422 3.198 1.00 0.00 C ATOM 1488 O VAL A 100 -2.387 2.267 2.908 1.00 0.00 O ATOM 1489 CB VAL A 100 -1.573 0.294 0.972 1.00 0.00 C ATOM 1490 CG1 VAL A 100 -2.953 0.782 0.559 1.00 0.00 C ATOM 1491 CG2 VAL A 100 -0.498 1.278 0.535 1.00 0.00 C ATOM 0 H VAL A 100 -3.449 -0.279 3.218 1.00 0.00 H new ATOM 0 HA VAL A 100 -0.582 -0.445 2.740 1.00 0.00 H new ATOM 0 HB VAL A 100 -1.387 -0.658 0.474 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -2.977 0.935 -0.520 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.700 0.039 0.837 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -3.172 1.723 1.063 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.556 1.425 -0.543 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -0.651 2.232 1.040 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.484 0.883 0.795 1.00 0.00 H new ATOM 1501 N ARG A 101 -0.607 1.621 4.124 1.00 0.00 N ATOM 1502 CA ARG A 101 -0.525 2.871 4.870 1.00 0.00 C ATOM 1503 C ARG A 101 0.241 3.927 4.078 1.00 0.00 C ATOM 1504 O ARG A 101 1.099 3.601 3.259 1.00 0.00 O ATOM 1505 CB ARG A 101 0.153 2.640 6.221 1.00 0.00 C ATOM 1506 CG ARG A 101 -0.112 3.743 7.233 1.00 0.00 C ATOM 1507 CD ARG A 101 0.511 3.423 8.582 1.00 0.00 C ATOM 1508 NE ARG A 101 0.555 4.593 9.455 1.00 0.00 N ATOM 1509 CZ ARG A 101 1.309 5.661 9.216 1.00 0.00 C ATOM 1510 NH1 ARG A 101 2.077 5.706 8.136 1.00 0.00 N ATOM 1511 NH2 ARG A 101 1.295 6.686 10.058 1.00 0.00 N ATOM 0 H ARG A 101 0.102 0.932 4.376 1.00 0.00 H new ATOM 0 HA ARG A 101 -1.540 3.232 5.038 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -0.190 1.691 6.633 1.00 0.00 H new ATOM 0 HB3 ARG A 101 1.228 2.550 6.067 1.00 0.00 H new ATOM 0 HG2 ARG A 101 0.290 4.685 6.860 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -1.187 3.880 7.351 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -0.060 2.631 9.066 1.00 0.00 H new ATOM 0 HD3 ARG A 101 1.522 3.043 8.434 1.00 0.00 H new ATOM 0 HE ARG A 101 -0.025 4.590 10.294 1.00 0.00 H new ATOM 0 HH11 ARG A 101 2.090 4.920 7.486 1.00 0.00 H new ATOM 0 HH12 ARG A 101 2.655 6.527 7.955 1.00 0.00 H new ATOM 0 HH21 ARG A 101 0.705 6.655 10.890 1.00 0.00 H new ATOM 0 HH22 ARG A 101 1.874 7.505 9.874 1.00 0.00 H new ATOM 1525 N ALA A 102 -0.076 5.193 4.330 1.00 0.00 N ATOM 1526 CA ALA A 102 0.583 6.297 3.642 1.00 0.00 C ATOM 1527 C ALA A 102 0.451 7.593 4.434 1.00 0.00 C ATOM 1528 O ALA A 102 -0.656 8.072 4.677 1.00 0.00 O ATOM 1529 CB ALA A 102 0.006 6.468 2.245 1.00 0.00 C ATOM 0 H ALA A 102 -0.785 5.480 5.005 1.00 0.00 H new ATOM 0 HA ALA A 102 1.644 6.060 3.558 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.507 7.296 1.743 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.158 5.552 1.674 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -1.061 6.679 2.315 1.00 0.00 H new ATOM 1535 N GLU A 103 1.587 8.155 4.834 1.00 0.00 N ATOM 1536 CA GLU A 103 1.597 9.396 5.600 1.00 0.00 C ATOM 1537 C GLU A 103 2.743 10.301 5.155 1.00 0.00 C ATOM 1538 O GLU A 103 3.908 10.029 5.439 1.00 0.00 O ATOM 1539 CB GLU A 103 1.720 9.097 7.095 1.00 0.00 C ATOM 1540 CG GLU A 103 1.689 10.340 7.969 1.00 0.00 C ATOM 1541 CD GLU A 103 2.484 10.173 9.249 1.00 0.00 C ATOM 1542 OE1 GLU A 103 3.573 9.566 9.197 1.00 0.00 O ATOM 1543 OE2 GLU A 103 2.015 10.650 10.304 1.00 0.00 O ATOM 0 H GLU A 103 2.512 7.771 4.641 1.00 0.00 H new ATOM 0 HA GLU A 103 0.656 9.914 5.417 1.00 0.00 H new ATOM 0 HB2 GLU A 103 0.908 8.434 7.392 1.00 0.00 H new ATOM 0 HB3 GLU A 103 2.652 8.560 7.274 1.00 0.00 H new ATOM 0 HG2 GLU A 103 2.086 11.185 7.407 1.00 0.00 H new ATOM 0 HG3 GLU A 103 0.655 10.580 8.217 1.00 0.00 H new ATOM 1550 N ASN A 104 2.401 11.378 4.455 1.00 0.00 N ATOM 1551 CA ASN A 104 3.400 12.323 3.970 1.00 0.00 C ATOM 1552 C ASN A 104 3.284 13.658 4.698 1.00 0.00 C ATOM 1553 O ASN A 104 2.308 13.912 5.403 1.00 0.00 O ATOM 1554 CB ASN A 104 3.241 12.535 2.463 1.00 0.00 C ATOM 1555 CG ASN A 104 3.665 13.925 2.027 1.00 0.00 C ATOM 1556 OD1 ASN A 104 4.845 14.271 2.078 1.00 0.00 O ATOM 1557 ND2 ASN A 104 2.700 14.729 1.595 1.00 0.00 N ATOM 0 H ASN A 104 1.440 11.618 4.211 1.00 0.00 H new ATOM 0 HA ASN A 104 4.387 11.906 4.170 1.00 0.00 H new ATOM 0 HB2 ASN A 104 3.835 11.793 1.930 1.00 0.00 H new ATOM 0 HB3 ASN A 104 2.200 12.371 2.183 1.00 0.00 H new ATOM 0 HD21 ASN A 104 2.924 15.676 1.288 1.00 0.00 H new ATOM 0 HD22 ASN A 104 1.735 14.400 1.570 1.00 0.00 H new ATOM 1564 N THR A 105 4.289 14.511 4.521 1.00 0.00 N ATOM 1565 CA THR A 105 4.301 15.821 5.161 1.00 0.00 C ATOM 1566 C THR A 105 2.954 16.518 5.012 1.00 0.00 C ATOM 1567 O THR A 105 2.357 16.952 5.997 1.00 0.00 O ATOM 1568 CB THR A 105 5.402 16.724 4.572 1.00 0.00 C ATOM 1569 OG1 THR A 105 6.678 16.088 4.702 1.00 0.00 O ATOM 1570 CG2 THR A 105 5.428 18.073 5.274 1.00 0.00 C ATOM 0 H THR A 105 5.105 14.318 3.940 1.00 0.00 H new ATOM 0 HA THR A 105 4.505 15.654 6.219 1.00 0.00 H new ATOM 0 HB THR A 105 5.183 16.886 3.517 1.00 0.00 H new ATOM 0 HG1 THR A 105 7.372 16.667 4.324 1.00 0.00 H new ATOM 0 HG21 THR A 105 6.213 18.693 4.841 1.00 0.00 H new ATOM 0 HG22 THR A 105 4.465 18.567 5.148 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.625 17.927 6.336 1.00 0.00 H new ATOM 1578 N ALA A 106 2.480 16.622 3.775 1.00 0.00 N ATOM 1579 CA ALA A 106 1.202 17.265 3.498 1.00 0.00 C ATOM 1580 C ALA A 106 0.066 16.572 4.243 1.00 0.00 C ATOM 1581 O ALA A 106 -0.490 17.118 5.195 1.00 0.00 O ATOM 1582 CB ALA A 106 0.927 17.271 2.001 1.00 0.00 C ATOM 0 H ALA A 106 2.962 16.269 2.948 1.00 0.00 H new ATOM 0 HA ALA A 106 1.258 18.295 3.850 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -0.031 17.754 1.809 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.718 17.817 1.488 1.00 0.00 H new ATOM 0 HB3 ALA A 106 0.896 16.246 1.633 1.00 0.00 H new ATOM 1588 N GLY A 107 -0.274 15.364 3.803 1.00 0.00 N ATOM 1589 CA GLY A 107 -1.343 14.616 4.439 1.00 0.00 C ATOM 1590 C GLY A 107 -1.026 13.138 4.556 1.00 0.00 C ATOM 1591 O GLY A 107 0.137 12.739 4.502 1.00 0.00 O ATOM 0 H GLY A 107 0.172 14.890 3.017 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -1.527 15.025 5.433 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -2.262 14.743 3.867 1.00 0.00 H new ATOM 1595 N HIS A 108 -2.064 12.324 4.719 1.00 0.00 N ATOM 1596 CA HIS A 108 -1.891 10.881 4.846 1.00 0.00 C ATOM 1597 C HIS A 108 -3.134 10.140 4.361 1.00 0.00 C ATOM 1598 O HIS A 108 -4.259 10.592 4.571 1.00 0.00 O ATOM 1599 CB HIS A 108 -1.595 10.507 6.298 1.00 0.00 C ATOM 1600 CG HIS A 108 -2.789 10.600 7.197 1.00 0.00 C ATOM 1601 ND1 HIS A 108 -3.411 11.793 7.501 1.00 0.00 N ATOM 1602 CD2 HIS A 108 -3.478 9.640 7.856 1.00 0.00 C ATOM 1603 CE1 HIS A 108 -4.429 11.562 8.311 1.00 0.00 C ATOM 1604 NE2 HIS A 108 -4.492 10.263 8.542 1.00 0.00 N ATOM 0 H HIS A 108 -3.033 12.639 4.766 1.00 0.00 H new ATOM 0 HA HIS A 108 -1.047 10.585 4.223 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -1.205 9.490 6.330 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -0.811 11.161 6.680 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -3.269 8.580 7.845 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -5.096 12.309 8.716 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -5.181 9.798 9.133 1.00 0.00 H new ATOM 1613 N ASP A 109 -2.921 9.002 3.710 1.00 0.00 N ATOM 1614 CA ASP A 109 -4.024 8.198 3.195 1.00 0.00 C ATOM 1615 C ASP A 109 -3.767 6.712 3.425 1.00 0.00 C ATOM 1616 O ASP A 109 -2.645 6.306 3.726 1.00 0.00 O ATOM 1617 CB ASP A 109 -4.227 8.468 1.704 1.00 0.00 C ATOM 1618 CG ASP A 109 -5.587 8.012 1.213 1.00 0.00 C ATOM 1619 OD1 ASP A 109 -6.599 8.371 1.850 1.00 0.00 O ATOM 1620 OD2 ASP A 109 -5.639 7.297 0.191 1.00 0.00 O ATOM 0 H ASP A 109 -1.995 8.615 3.526 1.00 0.00 H new ATOM 0 HA ASP A 109 -4.929 8.480 3.734 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -4.114 9.535 1.512 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -3.449 7.958 1.136 1.00 0.00 H new ATOM 1625 N GLU A 110 -4.814 5.906 3.281 1.00 0.00 N ATOM 1626 CA GLU A 110 -4.701 4.465 3.475 1.00 0.00 C ATOM 1627 C GLU A 110 -5.816 3.728 2.739 1.00 0.00 C ATOM 1628 O GLU A 110 -6.890 4.280 2.505 1.00 0.00 O ATOM 1629 CB GLU A 110 -4.747 4.124 4.966 1.00 0.00 C ATOM 1630 CG GLU A 110 -4.695 2.632 5.251 1.00 0.00 C ATOM 1631 CD GLU A 110 -4.841 2.314 6.726 1.00 0.00 C ATOM 1632 OE1 GLU A 110 -5.596 3.033 7.416 1.00 0.00 O ATOM 1633 OE2 GLU A 110 -4.201 1.349 7.192 1.00 0.00 O ATOM 0 H GLU A 110 -5.750 6.226 3.031 1.00 0.00 H new ATOM 0 HA GLU A 110 -3.744 4.143 3.065 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -3.910 4.611 5.467 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -5.660 4.536 5.396 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -5.488 2.132 4.695 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -3.749 2.229 4.888 1.00 0.00 H new ATOM 1640 N ALA A 111 -5.550 2.478 2.375 1.00 0.00 N ATOM 1641 CA ALA A 111 -6.530 1.664 1.667 1.00 0.00 C ATOM 1642 C ALA A 111 -6.633 0.271 2.279 1.00 0.00 C ATOM 1643 O ALA A 111 -5.827 -0.104 3.131 1.00 0.00 O ATOM 1644 CB ALA A 111 -6.169 1.568 0.192 1.00 0.00 C ATOM 0 H ALA A 111 -4.664 2.007 2.559 1.00 0.00 H new ATOM 0 HA ALA A 111 -7.503 2.147 1.762 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -6.909 0.957 -0.325 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -6.154 2.567 -0.245 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -5.185 1.111 0.087 1.00 0.00 H new ATOM 1650 N VAL A 112 -7.629 -0.492 1.840 1.00 0.00 N ATOM 1651 CA VAL A 112 -7.836 -1.844 2.345 1.00 0.00 C ATOM 1652 C VAL A 112 -8.294 -2.781 1.233 1.00 0.00 C ATOM 1653 O VAL A 112 -8.996 -2.370 0.309 1.00 0.00 O ATOM 1654 CB VAL A 112 -8.877 -1.865 3.480 1.00 0.00 C ATOM 1655 CG1 VAL A 112 -8.929 -3.239 4.131 1.00 0.00 C ATOM 1656 CG2 VAL A 112 -8.565 -0.789 4.509 1.00 0.00 C ATOM 0 H VAL A 112 -8.305 -0.197 1.136 1.00 0.00 H new ATOM 0 HA VAL A 112 -6.878 -2.188 2.734 1.00 0.00 H new ATOM 0 HB VAL A 112 -9.858 -1.654 3.054 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -9.670 -3.235 4.931 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -9.204 -3.985 3.385 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -7.950 -3.483 4.544 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -9.311 -0.818 5.304 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -7.576 -0.966 4.932 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -8.584 0.190 4.029 1.00 0.00 H new ATOM 1666 N LEU A 113 -7.892 -4.044 1.329 1.00 0.00 N ATOM 1667 CA LEU A 113 -8.261 -5.042 0.331 1.00 0.00 C ATOM 1668 C LEU A 113 -8.259 -6.443 0.936 1.00 0.00 C ATOM 1669 O LEU A 113 -7.325 -6.824 1.642 1.00 0.00 O ATOM 1670 CB LEU A 113 -7.298 -4.986 -0.856 1.00 0.00 C ATOM 1671 CG LEU A 113 -7.849 -5.486 -2.191 1.00 0.00 C ATOM 1672 CD1 LEU A 113 -7.186 -4.756 -3.349 1.00 0.00 C ATOM 1673 CD2 LEU A 113 -7.649 -6.989 -2.322 1.00 0.00 C ATOM 0 H LEU A 113 -7.311 -4.401 2.087 1.00 0.00 H new ATOM 0 HA LEU A 113 -9.269 -4.817 -0.016 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -6.971 -3.954 -0.984 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -6.413 -5.572 -0.608 1.00 0.00 H new ATOM 0 HG LEU A 113 -8.919 -5.278 -2.221 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -7.591 -5.125 -4.291 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -7.381 -3.687 -3.264 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -6.111 -4.932 -3.322 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -8.047 -7.327 -3.279 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -6.585 -7.220 -2.270 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -8.171 -7.498 -1.511 1.00 0.00 H new ATOM 1685 N PHE A 114 -9.310 -7.205 0.653 1.00 0.00 N ATOM 1686 CA PHE A 114 -9.429 -8.564 1.167 1.00 0.00 C ATOM 1687 C PHE A 114 -9.062 -9.586 0.095 1.00 0.00 C ATOM 1688 O PHE A 114 -9.400 -9.421 -1.077 1.00 0.00 O ATOM 1689 CB PHE A 114 -10.852 -8.821 1.666 1.00 0.00 C ATOM 1690 CG PHE A 114 -11.111 -8.283 3.044 1.00 0.00 C ATOM 1691 CD1 PHE A 114 -11.453 -6.953 3.231 1.00 0.00 C ATOM 1692 CD2 PHE A 114 -11.010 -9.107 4.154 1.00 0.00 C ATOM 1693 CE1 PHE A 114 -11.692 -6.456 4.498 1.00 0.00 C ATOM 1694 CE2 PHE A 114 -11.248 -8.615 5.423 1.00 0.00 C ATOM 1695 CZ PHE A 114 -11.588 -7.287 5.595 1.00 0.00 C ATOM 0 H PHE A 114 -10.092 -6.904 0.071 1.00 0.00 H new ATOM 0 HA PHE A 114 -8.734 -8.672 2.000 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -11.559 -8.370 0.970 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -11.041 -9.894 1.662 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -11.534 -6.297 2.377 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -10.742 -10.145 4.026 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -11.960 -5.418 4.630 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -11.168 -9.268 6.280 1.00 0.00 H new ATOM 0 HZ PHE A 114 -11.772 -6.900 6.586 1.00 0.00 H new ATOM 1705 N VAL A 115 -8.366 -10.642 0.505 1.00 0.00 N ATOM 1706 CA VAL A 115 -7.953 -11.691 -0.419 1.00 0.00 C ATOM 1707 C VAL A 115 -8.359 -13.068 0.096 1.00 0.00 C ATOM 1708 O VAL A 115 -8.018 -13.448 1.215 1.00 0.00 O ATOM 1709 CB VAL A 115 -6.430 -11.670 -0.648 1.00 0.00 C ATOM 1710 CG1 VAL A 115 -5.968 -12.970 -1.288 1.00 0.00 C ATOM 1711 CG2 VAL A 115 -6.037 -10.475 -1.503 1.00 0.00 C ATOM 0 H VAL A 115 -8.077 -10.793 1.471 1.00 0.00 H new ATOM 0 HA VAL A 115 -8.458 -11.496 -1.365 1.00 0.00 H new ATOM 0 HB VAL A 115 -5.936 -11.574 0.319 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -4.889 -12.937 -1.442 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -6.215 -13.806 -0.633 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -6.468 -13.101 -2.248 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -4.958 -10.476 -1.655 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -6.539 -10.537 -2.468 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -6.332 -9.554 -0.999 1.00 0.00 H new ATOM 1721 N GLN A 116 -9.090 -13.810 -0.730 1.00 0.00 N ATOM 1722 CA GLN A 116 -9.544 -15.145 -0.358 1.00 0.00 C ATOM 1723 C GLN A 116 -8.672 -16.216 -1.005 1.00 0.00 C ATOM 1724 O GLN A 116 -8.783 -16.482 -2.202 1.00 0.00 O ATOM 1725 CB GLN A 116 -11.004 -15.343 -0.767 1.00 0.00 C ATOM 1726 CG GLN A 116 -11.440 -16.800 -0.781 1.00 0.00 C ATOM 1727 CD GLN A 116 -12.932 -16.965 -0.571 1.00 0.00 C ATOM 1728 OE1 GLN A 116 -13.567 -16.160 0.111 1.00 0.00 O ATOM 1729 NE2 GLN A 116 -13.500 -18.012 -1.157 1.00 0.00 N ATOM 0 H GLN A 116 -9.380 -13.510 -1.661 1.00 0.00 H new ATOM 0 HA GLN A 116 -9.462 -15.241 0.725 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -11.643 -14.788 -0.081 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -11.156 -14.917 -1.759 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -11.159 -17.250 -1.733 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -10.905 -17.343 -0.002 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -12.935 -18.654 -1.713 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -14.501 -18.175 -1.051 1.00 0.00 H new ATOM 1738 N VAL A 117 -7.804 -16.828 -0.206 1.00 0.00 N ATOM 1739 CA VAL A 117 -6.913 -17.871 -0.701 1.00 0.00 C ATOM 1740 C VAL A 117 -7.506 -19.256 -0.469 1.00 0.00 C ATOM 1741 O VAL A 117 -7.570 -19.733 0.664 1.00 0.00 O ATOM 1742 CB VAL A 117 -5.531 -17.796 -0.025 1.00 0.00 C ATOM 1743 CG1 VAL A 117 -5.674 -17.429 1.444 1.00 0.00 C ATOM 1744 CG2 VAL A 117 -4.789 -19.114 -0.183 1.00 0.00 C ATOM 0 H VAL A 117 -7.699 -16.620 0.787 1.00 0.00 H new ATOM 0 HA VAL A 117 -6.795 -17.705 -1.772 1.00 0.00 H new ATOM 0 HB VAL A 117 -4.948 -17.016 -0.515 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -4.687 -17.381 1.905 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -6.163 -16.459 1.531 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -6.275 -18.184 1.951 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -3.815 -19.043 0.300 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -5.366 -19.914 0.280 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -4.653 -19.330 -1.243 1.00 0.00 H new ATOM 1754 N SER A 118 -7.938 -19.897 -1.550 1.00 0.00 N ATOM 1755 CA SER A 118 -8.530 -21.227 -1.464 1.00 0.00 C ATOM 1756 C SER A 118 -7.566 -22.209 -0.803 1.00 0.00 C ATOM 1757 O SER A 118 -6.350 -22.085 -0.934 1.00 0.00 O ATOM 1758 CB SER A 118 -8.911 -21.730 -2.857 1.00 0.00 C ATOM 1759 OG SER A 118 -9.946 -22.696 -2.786 1.00 0.00 O ATOM 0 H SER A 118 -7.889 -19.517 -2.495 1.00 0.00 H new ATOM 0 HA SER A 118 -9.429 -21.158 -0.852 1.00 0.00 H new ATOM 0 HB2 SER A 118 -9.234 -20.891 -3.474 1.00 0.00 H new ATOM 0 HB3 SER A 118 -8.037 -22.164 -3.342 1.00 0.00 H new ATOM 0 HG SER A 118 -10.172 -23.000 -3.690 1.00 0.00 H new ATOM 1765 N GLY A 119 -8.122 -23.185 -0.091 1.00 0.00 N ATOM 1766 CA GLY A 119 -7.298 -24.173 0.581 1.00 0.00 C ATOM 1767 C GLY A 119 -7.440 -25.555 -0.026 1.00 0.00 C ATOM 1768 O GLY A 119 -8.148 -25.752 -1.014 1.00 0.00 O ATOM 0 H GLY A 119 -9.127 -23.309 0.032 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -6.254 -23.864 0.533 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -7.571 -24.213 1.636 1.00 0.00 H new