USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 737 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 61 THR OG1 : rot 73:sc= 1.02 USER MOD Set 1.2: A 62 HIS : no HD1:sc= -1.81 K(o=-0.79,f=-2.8) USER MOD Set 2.1: A 42 MET CE :methyl -167:sc= -3.46! (180deg=-3.72) USER MOD Set 2.2: A 54 ASN : amide:sc= -0.0473 K(o=-3.5,f=-4.3) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl -145:sc= -0.114 (180deg=-1.97) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0051 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 51:sc= 0.152 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.541 X(o=-0.54,f=-0.95) USER MOD Single : A 68 ASN : amide:sc= -0.745 X(o=-0.75,f=-0.47) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.288 K(o=-0.29,f=-1.8!) USER MOD Single : A 80 GLN : amide:sc= -9.52! C(o=-9.5!,f=-11!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 34:sc= 0.175 USER MOD Single : A 87 GLN : amide:sc=-0.00295 X(o=-0.0029,f=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 99 CYS SG : rot 159:sc= -10.8! USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 MET CE :methyl -127:sc= -0.0952 (180deg=-1.28) USER MOD Single : A 109 THR OG1 : rot 180:sc= -0.122 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 HIS : no HE2:sc= -1.4 K(o=-1.4,f=-2.8) USER MOD Single : A 113 GLN : amide:sc= -0.0831 K(o=-0.083,f=-1) USER MOD ----------------------------------------------------------------- ATOM 298 N LEU A 24 -0.489 5.266 -12.778 1.00 0.00 N ATOM 299 CA LEU A 24 -0.422 4.936 -11.364 1.00 0.00 C ATOM 300 C LEU A 24 -1.831 4.641 -10.847 1.00 0.00 C ATOM 301 O LEU A 24 -2.759 5.412 -11.089 1.00 0.00 O ATOM 302 CB LEU A 24 0.299 6.041 -10.589 1.00 0.00 C ATOM 303 CG LEU A 24 1.316 5.575 -9.546 1.00 0.00 C ATOM 304 CD1 LEU A 24 2.719 5.486 -10.151 1.00 0.00 C ATOM 305 CD2 LEU A 24 1.282 6.471 -8.307 1.00 0.00 C ATOM 0 HA LEU A 24 0.170 4.034 -11.211 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.811 6.684 -11.305 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.450 6.654 -10.088 1.00 0.00 H new ATOM 0 HG LEU A 24 1.039 4.571 -9.224 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.423 5.153 -9.389 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.715 4.775 -10.977 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.020 6.467 -10.518 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.015 6.117 -7.582 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.520 7.496 -8.592 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.287 6.440 -7.862 1.00 0.00 H new ATOM 317 N VAL A 25 -1.948 3.524 -10.144 1.00 0.00 N ATOM 318 CA VAL A 25 -3.229 3.118 -9.591 1.00 0.00 C ATOM 319 C VAL A 25 -3.032 2.659 -8.144 1.00 0.00 C ATOM 320 O VAL A 25 -2.663 1.512 -7.898 1.00 0.00 O ATOM 321 CB VAL A 25 -3.865 2.046 -10.477 1.00 0.00 C ATOM 322 CG1 VAL A 25 -5.299 1.747 -10.032 1.00 0.00 C ATOM 323 CG2 VAL A 25 -3.822 2.455 -11.950 1.00 0.00 C ATOM 0 H VAL A 25 -1.176 2.887 -9.945 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.922 3.959 -9.574 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.282 1.131 -10.367 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.728 0.982 -10.678 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.293 1.391 -9.002 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.898 2.656 -10.099 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.281 1.675 -12.558 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.369 3.388 -12.085 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.786 2.594 -12.259 1.00 0.00 H new ATOM 333 N VAL A 26 -3.287 3.579 -7.226 1.00 0.00 N ATOM 334 CA VAL A 26 -3.143 3.283 -5.810 1.00 0.00 C ATOM 335 C VAL A 26 -4.455 2.705 -5.278 1.00 0.00 C ATOM 336 O VAL A 26 -5.522 3.281 -5.488 1.00 0.00 O ATOM 337 CB VAL A 26 -2.693 4.537 -5.057 1.00 0.00 C ATOM 338 CG1 VAL A 26 -2.594 4.267 -3.554 1.00 0.00 C ATOM 339 CG2 VAL A 26 -1.365 5.060 -5.608 1.00 0.00 C ATOM 0 H VAL A 26 -3.592 4.530 -7.434 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.370 2.531 -5.654 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.447 5.309 -5.210 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.272 5.174 -3.042 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.569 3.962 -3.174 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.870 3.472 -3.374 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.068 5.951 -5.056 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.598 4.293 -5.499 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.481 5.309 -6.663 1.00 0.00 H new ATOM 349 N PHE A 27 -4.334 1.574 -4.599 1.00 0.00 N ATOM 350 CA PHE A 27 -5.498 0.912 -4.035 1.00 0.00 C ATOM 351 C PHE A 27 -5.341 0.719 -2.525 1.00 0.00 C ATOM 352 O PHE A 27 -4.525 -0.086 -2.080 1.00 0.00 O ATOM 353 CB PHE A 27 -5.600 -0.461 -4.704 1.00 0.00 C ATOM 354 CG PHE A 27 -6.704 -1.352 -4.132 1.00 0.00 C ATOM 355 CD1 PHE A 27 -7.993 -1.179 -4.531 1.00 0.00 C ATOM 356 CD2 PHE A 27 -6.398 -2.316 -3.224 1.00 0.00 C ATOM 357 CE1 PHE A 27 -9.018 -2.005 -4.000 1.00 0.00 C ATOM 358 CE2 PHE A 27 -7.423 -3.143 -2.693 1.00 0.00 C ATOM 359 CZ PHE A 27 -8.711 -2.970 -3.092 1.00 0.00 C ATOM 0 H PHE A 27 -3.448 1.099 -4.427 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.389 1.516 -4.207 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.776 -0.322 -5.771 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.644 -0.975 -4.603 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.237 -0.413 -5.252 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.375 -2.453 -2.906 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -10.041 -1.867 -4.317 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -7.179 -3.909 -1.972 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.491 -3.599 -2.688 1.00 0.00 H new ATOM 369 N ILE A 28 -6.137 1.472 -1.779 1.00 0.00 N ATOM 370 CA ILE A 28 -6.097 1.394 -0.329 1.00 0.00 C ATOM 371 C ILE A 28 -6.872 0.159 0.133 1.00 0.00 C ATOM 372 O ILE A 28 -7.887 -0.200 -0.462 1.00 0.00 O ATOM 373 CB ILE A 28 -6.595 2.701 0.292 1.00 0.00 C ATOM 374 CG1 ILE A 28 -5.686 3.871 -0.089 1.00 0.00 C ATOM 375 CG2 ILE A 28 -6.749 2.564 1.808 1.00 0.00 C ATOM 376 CD1 ILE A 28 -6.244 5.193 0.439 1.00 0.00 C ATOM 0 H ILE A 28 -6.813 2.139 -2.152 1.00 0.00 H new ATOM 0 HA ILE A 28 -5.071 1.274 0.018 1.00 0.00 H new ATOM 0 HB ILE A 28 -7.583 2.917 -0.114 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.687 3.707 0.315 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.587 3.921 -1.173 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.104 3.507 2.224 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -7.468 1.775 2.031 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.785 2.312 2.250 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.579 6.008 0.154 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.233 5.366 0.014 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.319 5.148 1.526 1.00 0.00 H new ATOM 388 N LEU A 29 -6.364 -0.458 1.190 1.00 0.00 N ATOM 389 CA LEU A 29 -6.997 -1.646 1.739 1.00 0.00 C ATOM 390 C LEU A 29 -7.811 -1.260 2.975 1.00 0.00 C ATOM 391 O LEU A 29 -7.261 -1.113 4.065 1.00 0.00 O ATOM 392 CB LEU A 29 -5.954 -2.734 2.005 1.00 0.00 C ATOM 393 CG LEU A 29 -6.491 -4.060 2.547 1.00 0.00 C ATOM 394 CD1 LEU A 29 -7.203 -4.853 1.449 1.00 0.00 C ATOM 395 CD2 LEU A 29 -5.378 -4.872 3.211 1.00 0.00 C ATOM 0 H LEU A 29 -5.522 -0.158 1.681 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.694 -2.074 1.018 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.421 -2.934 1.075 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.224 -2.344 2.714 1.00 0.00 H new ATOM 0 HG LEU A 29 -7.231 -3.840 3.316 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.575 -5.791 1.861 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -8.039 -4.270 1.062 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.503 -5.064 0.640 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.787 -5.810 3.588 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.597 -5.084 2.481 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.956 -4.302 4.039 1.00 0.00 H new ATOM 407 N GLU A 30 -9.110 -1.106 2.764 1.00 0.00 N ATOM 408 CA GLU A 30 -10.007 -0.740 3.847 1.00 0.00 C ATOM 409 C GLU A 30 -9.586 -1.437 5.143 1.00 0.00 C ATOM 410 O GLU A 30 -9.512 -0.806 6.196 1.00 0.00 O ATOM 411 CB GLU A 30 -11.458 -1.069 3.494 1.00 0.00 C ATOM 412 CG GLU A 30 -12.354 -0.998 4.732 1.00 0.00 C ATOM 413 CD GLU A 30 -12.419 -2.352 5.440 1.00 0.00 C ATOM 414 OE1 GLU A 30 -12.538 -3.365 4.718 1.00 0.00 O ATOM 415 OE2 GLU A 30 -12.348 -2.344 6.688 1.00 0.00 O ATOM 0 H GLU A 30 -9.563 -1.228 1.858 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.941 0.337 3.998 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -11.819 -0.371 2.739 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.513 -2.067 3.058 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.972 -0.243 5.419 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.357 -0.687 4.442 1.00 0.00 H new ATOM 422 N LYS A 31 -9.322 -2.730 5.022 1.00 0.00 N ATOM 423 CA LYS A 31 -8.911 -3.520 6.170 1.00 0.00 C ATOM 424 C LYS A 31 -7.874 -2.737 6.978 1.00 0.00 C ATOM 425 O LYS A 31 -6.883 -2.260 6.426 1.00 0.00 O ATOM 426 CB LYS A 31 -8.428 -4.902 5.725 1.00 0.00 C ATOM 427 CG LYS A 31 -9.556 -5.687 5.052 1.00 0.00 C ATOM 428 CD LYS A 31 -9.093 -7.094 4.670 1.00 0.00 C ATOM 429 CE LYS A 31 -10.207 -7.864 3.959 1.00 0.00 C ATOM 430 NZ LYS A 31 -10.254 -9.265 4.433 1.00 0.00 N ATOM 0 H LYS A 31 -9.385 -3.250 4.147 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.759 -3.702 6.830 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.593 -4.794 5.033 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.058 -5.457 6.587 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.411 -5.752 5.725 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.892 -5.156 4.161 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.219 -7.030 4.021 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.786 -7.635 5.565 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.166 -7.380 4.143 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.041 -7.844 2.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.016 -9.773 3.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.344 -9.729 4.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.435 -9.279 5.457 1.00 0.00 H new ATOM 444 N LYS A 32 -8.137 -2.628 8.272 1.00 0.00 N ATOM 445 CA LYS A 32 -7.239 -1.911 9.161 1.00 0.00 C ATOM 446 C LYS A 32 -7.285 -0.418 8.830 1.00 0.00 C ATOM 447 O LYS A 32 -6.245 0.222 8.687 1.00 0.00 O ATOM 448 CB LYS A 32 -5.833 -2.511 9.100 1.00 0.00 C ATOM 449 CG LYS A 32 -5.852 -3.992 9.485 1.00 0.00 C ATOM 450 CD LYS A 32 -5.098 -4.228 10.795 1.00 0.00 C ATOM 451 CE LYS A 32 -6.062 -4.276 11.982 1.00 0.00 C ATOM 452 NZ LYS A 32 -5.327 -4.104 13.255 1.00 0.00 N ATOM 0 H LYS A 32 -8.960 -3.025 8.726 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.562 -2.019 10.196 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.429 -2.398 8.094 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.171 -1.965 9.772 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.883 -4.331 9.588 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.400 -4.584 8.689 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.542 -5.164 10.735 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.368 -3.433 10.947 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.813 -3.492 11.880 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -6.593 -5.228 11.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.997 -4.139 14.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.627 -4.867 13.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -4.840 -3.185 13.253 1.00 0.00 H new ATOM 466 N MET A 33 -8.503 0.093 8.717 1.00 0.00 N ATOM 467 CA MET A 33 -8.698 1.499 8.405 1.00 0.00 C ATOM 468 C MET A 33 -10.187 1.847 8.352 1.00 0.00 C ATOM 469 O MET A 33 -10.692 2.561 9.217 1.00 0.00 O ATOM 470 CB MET A 33 -8.051 1.817 7.056 1.00 0.00 C ATOM 471 CG MET A 33 -7.921 3.328 6.853 1.00 0.00 C ATOM 472 SD MET A 33 -7.471 3.681 5.162 1.00 0.00 S ATOM 473 CE MET A 33 -5.888 2.858 5.085 1.00 0.00 C ATOM 0 H MET A 33 -9.364 -0.441 8.836 1.00 0.00 H new ATOM 0 HA MET A 33 -8.232 2.094 9.190 1.00 0.00 H new ATOM 0 HB2 MET A 33 -7.066 1.353 7.003 1.00 0.00 H new ATOM 0 HB3 MET A 33 -8.649 1.388 6.252 1.00 0.00 H new ATOM 0 HG2 MET A 33 -8.863 3.818 7.097 1.00 0.00 H new ATOM 0 HG3 MET A 33 -7.168 3.731 7.530 1.00 0.00 H new ATOM 0 HE1 MET A 33 -5.215 3.424 4.441 1.00 0.00 H new ATOM 0 HE2 MET A 33 -5.463 2.793 6.086 1.00 0.00 H new ATOM 0 HE3 MET A 33 -6.019 1.854 4.681 1.00 0.00 H new ATOM 483 N GLY A 34 -10.848 1.326 7.329 1.00 0.00 N ATOM 484 CA GLY A 34 -12.269 1.573 7.152 1.00 0.00 C ATOM 485 C GLY A 34 -12.552 2.182 5.777 1.00 0.00 C ATOM 486 O GLY A 34 -11.686 2.184 4.904 1.00 0.00 O ATOM 0 H GLY A 34 -10.426 0.734 6.614 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.820 0.639 7.261 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.625 2.246 7.932 1.00 0.00 H new ATOM 490 N THR A 35 -13.769 2.684 5.628 1.00 0.00 N ATOM 491 CA THR A 35 -14.178 3.294 4.374 1.00 0.00 C ATOM 492 C THR A 35 -13.841 4.787 4.373 1.00 0.00 C ATOM 493 O THR A 35 -13.126 5.265 3.494 1.00 0.00 O ATOM 494 CB THR A 35 -15.667 3.008 4.172 1.00 0.00 C ATOM 495 OG1 THR A 35 -15.707 1.640 3.775 1.00 0.00 O ATOM 496 CG2 THR A 35 -16.251 3.760 2.974 1.00 0.00 C ATOM 0 H THR A 35 -14.485 2.681 6.355 1.00 0.00 H new ATOM 0 HA THR A 35 -13.633 2.868 3.531 1.00 0.00 H new ATOM 0 HB THR A 35 -16.214 3.281 5.074 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.637 1.370 3.624 1.00 0.00 H new ATOM 0 HG21 THR A 35 -17.310 3.521 2.876 1.00 0.00 H new ATOM 0 HG22 THR A 35 -16.133 4.833 3.125 1.00 0.00 H new ATOM 0 HG23 THR A 35 -15.726 3.462 2.066 1.00 0.00 H new ATOM 504 N THR A 36 -14.372 5.481 5.368 1.00 0.00 N ATOM 505 CA THR A 36 -14.137 6.910 5.493 1.00 0.00 C ATOM 506 C THR A 36 -12.685 7.243 5.144 1.00 0.00 C ATOM 507 O THR A 36 -12.416 7.853 4.110 1.00 0.00 O ATOM 508 CB THR A 36 -14.533 7.332 6.909 1.00 0.00 C ATOM 509 OG1 THR A 36 -15.925 7.033 6.984 1.00 0.00 O ATOM 510 CG2 THR A 36 -14.467 8.848 7.109 1.00 0.00 C ATOM 0 H THR A 36 -14.964 5.081 6.096 1.00 0.00 H new ATOM 0 HA THR A 36 -14.747 7.475 4.788 1.00 0.00 H new ATOM 0 HB THR A 36 -13.878 6.842 7.630 1.00 0.00 H new ATOM 0 HG1 THR A 36 -16.264 7.274 7.871 1.00 0.00 H new ATOM 0 HG21 THR A 36 -14.758 9.093 8.131 1.00 0.00 H new ATOM 0 HG22 THR A 36 -13.450 9.195 6.928 1.00 0.00 H new ATOM 0 HG23 THR A 36 -15.147 9.337 6.411 1.00 0.00 H new ATOM 518 N ARG A 37 -11.787 6.829 6.026 1.00 0.00 N ATOM 519 CA ARG A 37 -10.370 7.076 5.824 1.00 0.00 C ATOM 520 C ARG A 37 -9.938 6.587 4.440 1.00 0.00 C ATOM 521 O ARG A 37 -9.490 7.378 3.611 1.00 0.00 O ATOM 522 CB ARG A 37 -9.530 6.371 6.891 1.00 0.00 C ATOM 523 CG ARG A 37 -8.938 7.380 7.878 1.00 0.00 C ATOM 524 CD ARG A 37 -7.537 6.955 8.323 1.00 0.00 C ATOM 525 NE ARG A 37 -6.947 7.993 9.196 1.00 0.00 N ATOM 526 CZ ARG A 37 -5.846 7.813 9.939 1.00 0.00 C ATOM 527 NH1 ARG A 37 -5.209 6.634 9.918 1.00 0.00 N ATOM 528 NH2 ARG A 37 -5.381 8.812 10.702 1.00 0.00 N ATOM 0 H ARG A 37 -12.014 6.324 6.883 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.207 8.151 5.901 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -10.147 5.651 7.428 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.727 5.809 6.414 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.893 8.365 7.413 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -9.589 7.468 8.748 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -7.588 6.006 8.856 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -6.902 6.797 7.451 1.00 0.00 H new ATOM 0 HE ARG A 37 -7.407 8.903 9.235 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -5.562 5.874 9.337 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -4.371 6.497 10.483 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.865 9.710 10.717 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -4.543 8.675 11.267 1.00 0.00 H new ATOM 542 N ARG A 38 -10.087 5.287 4.234 1.00 0.00 N ATOM 543 CA ARG A 38 -9.718 4.684 2.964 1.00 0.00 C ATOM 544 C ARG A 38 -10.102 5.607 1.806 1.00 0.00 C ATOM 545 O ARG A 38 -9.243 6.026 1.031 1.00 0.00 O ATOM 546 CB ARG A 38 -10.406 3.330 2.778 1.00 0.00 C ATOM 547 CG ARG A 38 -10.234 2.820 1.345 1.00 0.00 C ATOM 548 CD ARG A 38 -10.694 1.366 1.221 1.00 0.00 C ATOM 549 NE ARG A 38 -10.364 0.844 -0.124 1.00 0.00 N ATOM 550 CZ ARG A 38 -10.994 -0.185 -0.705 1.00 0.00 C ATOM 551 NH1 ARG A 38 -11.992 -0.809 -0.063 1.00 0.00 N ATOM 552 NH2 ARG A 38 -10.628 -0.591 -1.928 1.00 0.00 N ATOM 0 H ARG A 38 -10.458 4.634 4.925 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.638 4.533 2.969 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.988 2.606 3.478 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -11.467 3.422 3.010 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.807 3.446 0.661 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -9.188 2.901 1.050 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.211 0.757 1.985 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.768 1.300 1.392 1.00 0.00 H new ATOM 0 HE ARG A 38 -9.610 1.296 -0.641 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -12.271 -0.500 0.868 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -12.472 -1.593 -0.506 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -9.869 -0.116 -2.417 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -11.108 -1.375 -2.370 1.00 0.00 H new ATOM 566 N ALA A 39 -11.392 5.897 1.725 1.00 0.00 N ATOM 567 CA ALA A 39 -11.900 6.763 0.675 1.00 0.00 C ATOM 568 C ALA A 39 -11.194 8.118 0.751 1.00 0.00 C ATOM 569 O ALA A 39 -10.721 8.634 -0.260 1.00 0.00 O ATOM 570 CB ALA A 39 -13.419 6.888 0.806 1.00 0.00 C ATOM 0 H ALA A 39 -12.101 5.547 2.370 1.00 0.00 H new ATOM 0 HA ALA A 39 -11.692 6.338 -0.307 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -13.800 7.538 0.018 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -13.874 5.902 0.715 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -13.667 7.314 1.779 1.00 0.00 H new ATOM 576 N LEU A 40 -11.146 8.657 1.961 1.00 0.00 N ATOM 577 CA LEU A 40 -10.506 9.942 2.183 1.00 0.00 C ATOM 578 C LEU A 40 -9.102 9.919 1.577 1.00 0.00 C ATOM 579 O LEU A 40 -8.859 10.535 0.540 1.00 0.00 O ATOM 580 CB LEU A 40 -10.529 10.302 3.670 1.00 0.00 C ATOM 581 CG LEU A 40 -10.025 11.702 4.029 1.00 0.00 C ATOM 582 CD1 LEU A 40 -10.091 12.635 2.819 1.00 0.00 C ATOM 583 CD2 LEU A 40 -10.784 12.266 5.231 1.00 0.00 C ATOM 0 H LEU A 40 -11.540 8.227 2.798 1.00 0.00 H new ATOM 0 HA LEU A 40 -11.058 10.735 1.678 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.552 10.202 4.032 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.927 9.571 4.210 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.977 11.625 4.318 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.727 13.623 3.101 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.470 12.235 2.017 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.122 12.713 2.475 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.407 13.261 5.465 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.846 12.327 4.994 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.641 11.612 6.091 1.00 0.00 H new ATOM 595 N LEU A 41 -8.213 9.203 2.250 1.00 0.00 N ATOM 596 CA LEU A 41 -6.839 9.092 1.791 1.00 0.00 C ATOM 597 C LEU A 41 -6.828 8.869 0.278 1.00 0.00 C ATOM 598 O LEU A 41 -6.041 9.486 -0.439 1.00 0.00 O ATOM 599 CB LEU A 41 -6.097 8.009 2.578 1.00 0.00 C ATOM 600 CG LEU A 41 -5.702 8.373 4.011 1.00 0.00 C ATOM 601 CD1 LEU A 41 -5.356 7.121 4.819 1.00 0.00 C ATOM 602 CD2 LEU A 41 -4.565 9.397 4.023 1.00 0.00 C ATOM 0 H LEU A 41 -8.418 8.694 3.110 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.298 10.019 1.981 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.723 7.118 2.610 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.193 7.744 2.029 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.560 8.840 4.494 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.079 7.408 5.833 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.221 6.459 4.853 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.521 6.603 4.347 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.304 9.638 5.053 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.695 8.980 3.516 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.886 10.303 3.508 1.00 0.00 H new ATOM 614 N MET A 42 -7.710 7.984 -0.164 1.00 0.00 N ATOM 615 CA MET A 42 -7.812 7.672 -1.580 1.00 0.00 C ATOM 616 C MET A 42 -8.111 8.930 -2.399 1.00 0.00 C ATOM 617 O MET A 42 -7.513 9.146 -3.451 1.00 0.00 O ATOM 618 CB MET A 42 -8.924 6.644 -1.797 1.00 0.00 C ATOM 619 CG MET A 42 -8.383 5.218 -1.678 1.00 0.00 C ATOM 620 SD MET A 42 -9.384 4.103 -2.649 1.00 0.00 S ATOM 621 CE MET A 42 -11.012 4.699 -2.225 1.00 0.00 C ATOM 0 H MET A 42 -8.360 7.473 0.433 1.00 0.00 H new ATOM 0 HA MET A 42 -6.858 7.264 -1.913 1.00 0.00 H new ATOM 0 HB2 MET A 42 -9.715 6.799 -1.064 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.369 6.787 -2.782 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.349 5.183 -2.020 1.00 0.00 H new ATOM 0 HG3 MET A 42 -8.384 4.906 -0.634 1.00 0.00 H new ATOM 0 HE1 MET A 42 -11.761 3.979 -2.556 1.00 0.00 H new ATOM 0 HE2 MET A 42 -11.083 4.826 -1.145 1.00 0.00 H new ATOM 0 HE3 MET A 42 -11.188 5.656 -2.715 1.00 0.00 H new ATOM 631 N GLU A 43 -9.037 9.726 -1.884 1.00 0.00 N ATOM 632 CA GLU A 43 -9.422 10.956 -2.554 1.00 0.00 C ATOM 633 C GLU A 43 -8.277 11.969 -2.505 1.00 0.00 C ATOM 634 O GLU A 43 -8.036 12.686 -3.475 1.00 0.00 O ATOM 635 CB GLU A 43 -10.697 11.539 -1.940 1.00 0.00 C ATOM 636 CG GLU A 43 -10.685 13.067 -2.001 1.00 0.00 C ATOM 637 CD GLU A 43 -12.043 13.642 -1.592 1.00 0.00 C ATOM 638 OE1 GLU A 43 -12.414 13.438 -0.416 1.00 0.00 O ATOM 639 OE2 GLU A 43 -12.679 14.273 -2.464 1.00 0.00 O ATOM 0 H GLU A 43 -9.531 9.543 -1.011 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.633 10.727 -3.599 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.569 11.157 -2.472 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.788 11.213 -0.904 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.908 13.455 -1.342 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.437 13.392 -3.011 1.00 0.00 H new ATOM 646 N LEU A 44 -7.601 11.995 -1.366 1.00 0.00 N ATOM 647 CA LEU A 44 -6.487 12.909 -1.177 1.00 0.00 C ATOM 648 C LEU A 44 -5.451 12.676 -2.279 1.00 0.00 C ATOM 649 O LEU A 44 -4.946 13.628 -2.872 1.00 0.00 O ATOM 650 CB LEU A 44 -5.920 12.778 0.238 1.00 0.00 C ATOM 651 CG LEU A 44 -6.869 13.152 1.378 1.00 0.00 C ATOM 652 CD1 LEU A 44 -6.097 13.724 2.569 1.00 0.00 C ATOM 653 CD2 LEU A 44 -7.961 14.107 0.891 1.00 0.00 C ATOM 0 H LEU A 44 -7.803 11.398 -0.564 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.822 13.942 -1.266 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.596 11.747 0.384 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.031 13.405 0.311 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.365 12.244 1.722 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.795 13.982 3.365 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.388 12.981 2.934 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.557 14.618 2.257 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.622 14.357 1.721 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.503 15.017 0.505 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.537 13.628 0.100 1.00 0.00 H new ATOM 665 N ALA A 45 -5.165 11.405 -2.519 1.00 0.00 N ATOM 666 CA ALA A 45 -4.198 11.036 -3.539 1.00 0.00 C ATOM 667 C ALA A 45 -4.678 11.545 -4.899 1.00 0.00 C ATOM 668 O ALA A 45 -3.928 12.202 -5.620 1.00 0.00 O ATOM 669 CB ALA A 45 -3.993 9.520 -3.523 1.00 0.00 C ATOM 0 H ALA A 45 -5.586 10.618 -2.025 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.232 11.498 -3.337 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.268 9.243 -4.288 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.624 9.213 -2.545 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.942 9.022 -3.725 1.00 0.00 H new ATOM 675 N ARG A 46 -5.925 11.224 -5.209 1.00 0.00 N ATOM 676 CA ARG A 46 -6.514 11.641 -6.470 1.00 0.00 C ATOM 677 C ARG A 46 -6.175 13.106 -6.756 1.00 0.00 C ATOM 678 O ARG A 46 -5.867 13.465 -7.891 1.00 0.00 O ATOM 679 CB ARG A 46 -8.034 11.472 -6.451 1.00 0.00 C ATOM 680 CG ARG A 46 -8.430 10.036 -6.803 1.00 0.00 C ATOM 681 CD ARG A 46 -9.945 9.914 -6.983 1.00 0.00 C ATOM 682 NE ARG A 46 -10.364 10.600 -8.225 1.00 0.00 N ATOM 683 CZ ARG A 46 -11.628 10.952 -8.499 1.00 0.00 C ATOM 684 NH1 ARG A 46 -12.603 10.685 -7.621 1.00 0.00 N ATOM 685 NH2 ARG A 46 -11.916 11.571 -9.652 1.00 0.00 N ATOM 0 H ARG A 46 -6.544 10.680 -4.608 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.099 11.008 -7.254 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.420 11.728 -5.464 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -8.489 12.163 -7.160 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.925 9.730 -7.719 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.098 9.360 -6.015 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.231 8.863 -7.024 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -10.458 10.351 -6.126 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.646 10.819 -8.916 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -12.384 10.214 -6.743 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -13.565 10.953 -7.830 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.173 11.774 -10.321 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -12.878 11.839 -9.861 1.00 0.00 H new ATOM 699 N ARG A 47 -6.242 13.911 -5.706 1.00 0.00 N ATOM 700 CA ARG A 47 -5.946 15.328 -5.830 1.00 0.00 C ATOM 701 C ARG A 47 -4.508 15.530 -6.311 1.00 0.00 C ATOM 702 O ARG A 47 -4.230 16.449 -7.080 1.00 0.00 O ATOM 703 CB ARG A 47 -6.135 16.049 -4.494 1.00 0.00 C ATOM 704 CG ARG A 47 -7.343 15.493 -3.736 1.00 0.00 C ATOM 705 CD ARG A 47 -8.029 16.588 -2.918 1.00 0.00 C ATOM 706 NE ARG A 47 -7.489 16.603 -1.540 1.00 0.00 N ATOM 707 CZ ARG A 47 -6.405 17.296 -1.165 1.00 0.00 C ATOM 708 NH1 ARG A 47 -5.739 18.035 -2.062 1.00 0.00 N ATOM 709 NH2 ARG A 47 -5.988 17.251 0.108 1.00 0.00 N ATOM 0 H ARG A 47 -6.497 13.609 -4.766 1.00 0.00 H new ATOM 0 HA ARG A 47 -6.639 15.749 -6.559 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.237 15.937 -3.886 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.271 17.116 -4.669 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.053 15.063 -4.442 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.023 14.687 -3.075 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.872 17.558 -3.390 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -9.105 16.416 -2.894 1.00 0.00 H new ATOM 0 HE ARG A 47 -7.972 16.051 -0.831 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.057 18.070 -3.031 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.914 18.562 -1.776 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.496 16.689 0.791 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.163 17.778 0.393 1.00 0.00 H new ATOM 723 N LYS A 48 -3.632 14.655 -5.839 1.00 0.00 N ATOM 724 CA LYS A 48 -2.229 14.726 -6.212 1.00 0.00 C ATOM 725 C LYS A 48 -2.072 14.300 -7.673 1.00 0.00 C ATOM 726 O LYS A 48 -1.141 14.731 -8.352 1.00 0.00 O ATOM 727 CB LYS A 48 -1.375 13.911 -5.239 1.00 0.00 C ATOM 728 CG LYS A 48 -1.504 14.448 -3.812 1.00 0.00 C ATOM 729 CD LYS A 48 -0.942 15.867 -3.707 1.00 0.00 C ATOM 730 CE LYS A 48 -0.905 16.336 -2.252 1.00 0.00 C ATOM 731 NZ LYS A 48 -1.516 17.678 -2.124 1.00 0.00 N ATOM 0 H LYS A 48 -3.866 13.894 -5.202 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.866 15.751 -6.138 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.683 12.866 -5.267 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.331 13.944 -5.551 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.552 14.445 -3.512 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.973 13.791 -3.123 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.063 15.896 -4.128 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.554 16.549 -4.297 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.439 15.625 -1.621 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.126 16.364 -1.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.483 17.981 -1.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.990 18.356 -2.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.506 17.641 -2.441 1.00 0.00 H new ATOM 745 N GLY A 49 -2.997 13.460 -8.114 1.00 0.00 N ATOM 746 CA GLY A 49 -2.973 12.972 -9.482 1.00 0.00 C ATOM 747 C GLY A 49 -2.693 11.468 -9.523 1.00 0.00 C ATOM 748 O GLY A 49 -1.909 11.001 -10.348 1.00 0.00 O ATOM 0 H GLY A 49 -3.768 13.105 -7.548 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.928 13.181 -9.963 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.208 13.504 -10.048 1.00 0.00 H new ATOM 752 N PHE A 50 -3.350 10.752 -8.623 1.00 0.00 N ATOM 753 CA PHE A 50 -3.183 9.311 -8.545 1.00 0.00 C ATOM 754 C PHE A 50 -4.509 8.590 -8.795 1.00 0.00 C ATOM 755 O PHE A 50 -5.445 8.714 -8.006 1.00 0.00 O ATOM 756 CB PHE A 50 -2.701 8.992 -7.128 1.00 0.00 C ATOM 757 CG PHE A 50 -1.309 9.537 -6.807 1.00 0.00 C ATOM 758 CD1 PHE A 50 -0.218 9.039 -7.448 1.00 0.00 C ATOM 759 CD2 PHE A 50 -1.161 10.521 -5.879 1.00 0.00 C ATOM 760 CE1 PHE A 50 1.075 9.545 -7.150 1.00 0.00 C ATOM 761 CE2 PHE A 50 0.132 11.028 -5.581 1.00 0.00 C ATOM 762 CZ PHE A 50 1.222 10.529 -6.222 1.00 0.00 C ATOM 0 H PHE A 50 -4.000 11.143 -7.941 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.472 8.978 -9.301 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -3.414 9.401 -6.412 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -2.697 7.911 -6.992 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.335 8.258 -8.185 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.027 10.917 -5.369 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.941 9.149 -7.660 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.249 11.810 -4.845 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.205 10.914 -5.994 1.00 0.00 H new ATOM 772 N ARG A 51 -4.547 7.853 -9.895 1.00 0.00 N ATOM 773 CA ARG A 51 -5.743 7.113 -10.259 1.00 0.00 C ATOM 774 C ARG A 51 -6.110 6.120 -9.153 1.00 0.00 C ATOM 775 O ARG A 51 -5.757 4.944 -9.229 1.00 0.00 O ATOM 776 CB ARG A 51 -5.543 6.353 -11.571 1.00 0.00 C ATOM 777 CG ARG A 51 -6.882 5.882 -12.142 1.00 0.00 C ATOM 778 CD ARG A 51 -6.671 4.898 -13.295 1.00 0.00 C ATOM 779 NE ARG A 51 -7.538 5.263 -14.437 1.00 0.00 N ATOM 780 CZ ARG A 51 -8.865 5.078 -14.463 1.00 0.00 C ATOM 781 NH1 ARG A 51 -9.485 4.530 -13.410 1.00 0.00 N ATOM 782 NH2 ARG A 51 -9.571 5.440 -15.543 1.00 0.00 N ATOM 0 H ARG A 51 -3.768 7.752 -10.546 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.551 7.833 -10.389 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.041 6.995 -12.294 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.893 5.494 -11.402 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.469 5.407 -11.356 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.454 6.741 -12.492 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.626 4.906 -13.604 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.898 3.884 -12.965 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.098 5.682 -15.256 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.947 4.254 -12.589 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.495 4.389 -13.429 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.098 5.856 -16.345 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.581 5.299 -15.563 1.00 0.00 H new ATOM 796 N VAL A 52 -6.812 6.631 -8.153 1.00 0.00 N ATOM 797 CA VAL A 52 -7.230 5.804 -7.033 1.00 0.00 C ATOM 798 C VAL A 52 -8.468 4.999 -7.434 1.00 0.00 C ATOM 799 O VAL A 52 -9.248 5.432 -8.281 1.00 0.00 O ATOM 800 CB VAL A 52 -7.458 6.674 -5.796 1.00 0.00 C ATOM 801 CG1 VAL A 52 -7.925 5.829 -4.609 1.00 0.00 C ATOM 802 CG2 VAL A 52 -6.197 7.466 -5.443 1.00 0.00 C ATOM 0 H VAL A 52 -7.102 7.607 -8.094 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.448 5.091 -6.772 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.248 7.388 -6.030 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.080 6.472 -3.743 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.861 5.331 -4.863 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -7.168 5.081 -4.375 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.386 8.076 -4.560 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.379 6.775 -5.238 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.927 8.111 -6.279 1.00 0.00 H new ATOM 812 N GLU A 53 -8.610 3.840 -6.806 1.00 0.00 N ATOM 813 CA GLU A 53 -9.739 2.971 -7.086 1.00 0.00 C ATOM 814 C GLU A 53 -10.402 2.524 -5.781 1.00 0.00 C ATOM 815 O GLU A 53 -9.723 2.311 -4.778 1.00 0.00 O ATOM 816 CB GLU A 53 -9.309 1.765 -7.923 1.00 0.00 C ATOM 817 CG GLU A 53 -8.508 2.207 -9.150 1.00 0.00 C ATOM 818 CD GLU A 53 -9.438 2.657 -10.279 1.00 0.00 C ATOM 819 OE1 GLU A 53 -10.461 3.296 -9.950 1.00 0.00 O ATOM 820 OE2 GLU A 53 -9.105 2.352 -11.444 1.00 0.00 O ATOM 0 H GLU A 53 -7.961 3.484 -6.104 1.00 0.00 H new ATOM 0 HA GLU A 53 -10.469 3.534 -7.668 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -8.706 1.091 -7.314 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -10.189 1.206 -8.241 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.839 3.024 -8.877 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.882 1.384 -9.496 1.00 0.00 H new ATOM 827 N ASN A 54 -11.719 2.395 -5.838 1.00 0.00 N ATOM 828 CA ASN A 54 -12.481 1.977 -4.673 1.00 0.00 C ATOM 829 C ASN A 54 -12.441 0.451 -4.563 1.00 0.00 C ATOM 830 O ASN A 54 -12.536 -0.098 -3.467 1.00 0.00 O ATOM 831 CB ASN A 54 -13.945 2.404 -4.790 1.00 0.00 C ATOM 832 CG ASN A 54 -14.293 3.463 -3.742 1.00 0.00 C ATOM 833 OD1 ASN A 54 -14.179 3.251 -2.546 1.00 0.00 O ATOM 834 ND2 ASN A 54 -14.723 4.612 -4.256 1.00 0.00 N ATOM 0 H ASN A 54 -12.278 2.572 -6.672 1.00 0.00 H new ATOM 0 HA ASN A 54 -12.038 2.446 -3.795 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -14.133 2.799 -5.788 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -14.592 1.536 -4.664 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -14.981 5.382 -3.639 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -14.795 4.723 -5.267 1.00 0.00 H new ATOM 841 N GLU A 55 -12.300 -0.189 -5.714 1.00 0.00 N ATOM 842 CA GLU A 55 -12.246 -1.641 -5.761 1.00 0.00 C ATOM 843 C GLU A 55 -11.000 -2.102 -6.519 1.00 0.00 C ATOM 844 O GLU A 55 -10.537 -1.421 -7.433 1.00 0.00 O ATOM 845 CB GLU A 55 -13.516 -2.216 -6.392 1.00 0.00 C ATOM 846 CG GLU A 55 -13.740 -1.643 -7.793 1.00 0.00 C ATOM 847 CD GLU A 55 -14.960 -2.284 -8.458 1.00 0.00 C ATOM 848 OE1 GLU A 55 -15.308 -3.410 -8.042 1.00 0.00 O ATOM 849 OE2 GLU A 55 -15.517 -1.633 -9.368 1.00 0.00 O ATOM 0 H GLU A 55 -12.221 0.271 -6.621 1.00 0.00 H new ATOM 0 HA GLU A 55 -12.185 -2.016 -4.739 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.439 -3.302 -6.447 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -14.375 -1.989 -5.761 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -13.880 -0.564 -7.730 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -12.855 -1.814 -8.406 1.00 0.00 H new ATOM 856 N LEU A 56 -10.491 -3.255 -6.111 1.00 0.00 N ATOM 857 CA LEU A 56 -9.307 -3.815 -6.740 1.00 0.00 C ATOM 858 C LEU A 56 -9.562 -3.982 -8.240 1.00 0.00 C ATOM 859 O LEU A 56 -10.709 -4.101 -8.668 1.00 0.00 O ATOM 860 CB LEU A 56 -8.888 -5.108 -6.039 1.00 0.00 C ATOM 861 CG LEU A 56 -7.716 -5.864 -6.669 1.00 0.00 C ATOM 862 CD1 LEU A 56 -6.421 -5.058 -6.557 1.00 0.00 C ATOM 863 CD2 LEU A 56 -7.576 -7.262 -6.063 1.00 0.00 C ATOM 0 H LEU A 56 -10.877 -3.817 -5.352 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.462 -3.135 -6.634 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.629 -4.871 -5.007 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.749 -5.775 -6.006 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.924 -5.993 -7.731 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.604 -5.617 -7.012 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.540 -4.105 -7.073 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.195 -4.876 -5.506 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.736 -7.778 -6.528 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.401 -7.178 -4.990 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.491 -7.828 -6.238 1.00 0.00 H new ATOM 875 N SER A 57 -8.474 -3.987 -8.996 1.00 0.00 N ATOM 876 CA SER A 57 -8.566 -4.138 -10.438 1.00 0.00 C ATOM 877 C SER A 57 -7.175 -4.374 -11.029 1.00 0.00 C ATOM 878 O SER A 57 -6.170 -3.977 -10.439 1.00 0.00 O ATOM 879 CB SER A 57 -9.215 -2.911 -11.080 1.00 0.00 C ATOM 880 OG SER A 57 -10.551 -3.172 -11.502 1.00 0.00 O ATOM 0 H SER A 57 -7.524 -3.889 -8.637 1.00 0.00 H new ATOM 0 HA SER A 57 -9.196 -5.002 -10.652 1.00 0.00 H new ATOM 0 HB2 SER A 57 -9.215 -2.086 -10.367 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.620 -2.593 -11.936 1.00 0.00 H new ATOM 0 HG SER A 57 -11.056 -3.570 -10.762 1.00 0.00 H new ATOM 886 N ASP A 58 -7.160 -5.017 -12.187 1.00 0.00 N ATOM 887 CA ASP A 58 -5.908 -5.310 -12.864 1.00 0.00 C ATOM 888 C ASP A 58 -5.145 -4.006 -13.103 1.00 0.00 C ATOM 889 O ASP A 58 -3.940 -4.024 -13.353 1.00 0.00 O ATOM 890 CB ASP A 58 -6.158 -5.967 -14.224 1.00 0.00 C ATOM 891 CG ASP A 58 -5.028 -5.797 -15.241 1.00 0.00 C ATOM 892 OD1 ASP A 58 -4.771 -4.632 -15.615 1.00 0.00 O ATOM 893 OD2 ASP A 58 -4.446 -6.835 -15.622 1.00 0.00 O ATOM 0 H ASP A 58 -7.995 -5.343 -12.674 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.335 -5.990 -12.234 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.331 -7.032 -14.070 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.073 -5.554 -14.648 1.00 0.00 H new ATOM 898 N SER A 59 -5.877 -2.905 -13.016 1.00 0.00 N ATOM 899 CA SER A 59 -5.284 -1.594 -13.219 1.00 0.00 C ATOM 900 C SER A 59 -4.497 -1.177 -11.975 1.00 0.00 C ATOM 901 O SER A 59 -3.681 -0.258 -12.031 1.00 0.00 O ATOM 902 CB SER A 59 -6.354 -0.550 -13.545 1.00 0.00 C ATOM 903 OG SER A 59 -6.773 -0.621 -14.905 1.00 0.00 O ATOM 0 H SER A 59 -6.875 -2.894 -12.808 1.00 0.00 H new ATOM 0 HA SER A 59 -4.603 -1.654 -14.068 1.00 0.00 H new ATOM 0 HB2 SER A 59 -7.215 -0.697 -12.892 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.963 0.446 -13.338 1.00 0.00 H new ATOM 0 HG SER A 59 -7.457 0.060 -15.072 1.00 0.00 H new ATOM 909 N VAL A 60 -4.769 -1.873 -10.881 1.00 0.00 N ATOM 910 CA VAL A 60 -4.096 -1.587 -9.626 1.00 0.00 C ATOM 911 C VAL A 60 -2.622 -1.980 -9.741 1.00 0.00 C ATOM 912 O VAL A 60 -2.301 -3.151 -9.935 1.00 0.00 O ATOM 913 CB VAL A 60 -4.815 -2.294 -8.474 1.00 0.00 C ATOM 914 CG1 VAL A 60 -3.978 -2.246 -7.194 1.00 0.00 C ATOM 915 CG2 VAL A 60 -6.203 -1.694 -8.244 1.00 0.00 C ATOM 0 H VAL A 60 -5.446 -2.634 -10.838 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.132 -0.520 -9.408 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.944 -3.340 -8.751 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.511 -2.755 -6.391 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.022 -2.741 -7.366 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.803 -1.208 -6.912 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.692 -2.214 -7.421 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.106 -0.636 -7.999 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.801 -1.803 -9.149 1.00 0.00 H new ATOM 925 N THR A 61 -1.764 -0.977 -9.616 1.00 0.00 N ATOM 926 CA THR A 61 -0.332 -1.203 -9.703 1.00 0.00 C ATOM 927 C THR A 61 0.318 -1.047 -8.327 1.00 0.00 C ATOM 928 O THR A 61 1.413 -1.556 -8.092 1.00 0.00 O ATOM 929 CB THR A 61 0.234 -0.246 -10.754 1.00 0.00 C ATOM 930 OG1 THR A 61 -0.290 1.026 -10.383 1.00 0.00 O ATOM 931 CG2 THR A 61 -0.346 -0.496 -12.148 1.00 0.00 C ATOM 0 H THR A 61 -2.034 -0.007 -9.455 1.00 0.00 H new ATOM 0 HA THR A 61 -0.111 -2.223 -10.018 1.00 0.00 H new ATOM 0 HB THR A 61 1.319 -0.347 -10.789 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.166 1.345 -9.576 1.00 0.00 H new ATOM 0 HG21 THR A 61 0.089 0.210 -12.855 1.00 0.00 H new ATOM 0 HG22 THR A 61 -0.113 -1.514 -12.462 1.00 0.00 H new ATOM 0 HG23 THR A 61 -1.427 -0.363 -12.121 1.00 0.00 H new ATOM 939 N HIS A 62 -0.385 -0.342 -7.453 1.00 0.00 N ATOM 940 CA HIS A 62 0.109 -0.113 -6.106 1.00 0.00 C ATOM 941 C HIS A 62 -1.035 -0.277 -5.104 1.00 0.00 C ATOM 942 O HIS A 62 -2.044 0.421 -5.189 1.00 0.00 O ATOM 943 CB HIS A 62 0.796 1.250 -6.003 1.00 0.00 C ATOM 944 CG HIS A 62 1.679 1.583 -7.182 1.00 0.00 C ATOM 945 ND1 HIS A 62 1.224 2.283 -8.286 1.00 0.00 N ATOM 946 CD2 HIS A 62 2.994 1.306 -7.417 1.00 0.00 C ATOM 947 CE1 HIS A 62 2.228 2.414 -9.141 1.00 0.00 C ATOM 948 NE2 HIS A 62 3.323 1.808 -8.601 1.00 0.00 N ATOM 0 H HIS A 62 -1.293 0.078 -7.651 1.00 0.00 H new ATOM 0 HA HIS A 62 0.868 -0.857 -5.863 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.034 2.023 -5.903 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.397 1.275 -5.094 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.655 0.769 -6.753 1.00 0.00 H new ATOM 0 HE1 HIS A 62 2.186 2.913 -10.098 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.244 1.750 -9.035 1.00 0.00 H new ATOM 956 N ILE A 63 -0.840 -1.204 -4.177 1.00 0.00 N ATOM 957 CA ILE A 63 -1.843 -1.469 -3.160 1.00 0.00 C ATOM 958 C ILE A 63 -1.356 -0.924 -1.816 1.00 0.00 C ATOM 959 O ILE A 63 -0.263 -1.261 -1.365 1.00 0.00 O ATOM 960 CB ILE A 63 -2.196 -2.957 -3.130 1.00 0.00 C ATOM 961 CG1 ILE A 63 -3.019 -3.351 -4.358 1.00 0.00 C ATOM 962 CG2 ILE A 63 -2.902 -3.327 -1.824 1.00 0.00 C ATOM 963 CD1 ILE A 63 -3.202 -4.868 -4.431 1.00 0.00 C ATOM 0 H ILE A 63 -0.002 -1.781 -4.109 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.772 -0.950 -3.397 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.268 -3.528 -3.168 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.994 -2.865 -4.318 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.523 -2.997 -5.262 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.142 -4.390 -1.829 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.247 -3.106 -0.981 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.821 -2.748 -1.731 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.790 -5.121 -5.313 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.226 -5.350 -4.495 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.720 -5.215 -3.537 1.00 0.00 H new ATOM 975 N VAL A 64 -2.192 -0.092 -1.213 1.00 0.00 N ATOM 976 CA VAL A 64 -1.861 0.503 0.071 1.00 0.00 C ATOM 977 C VAL A 64 -2.605 -0.243 1.180 1.00 0.00 C ATOM 978 O VAL A 64 -3.751 -0.651 0.998 1.00 0.00 O ATOM 979 CB VAL A 64 -2.167 2.002 0.048 1.00 0.00 C ATOM 980 CG1 VAL A 64 -1.642 2.687 1.311 1.00 0.00 C ATOM 981 CG2 VAL A 64 -1.597 2.659 -1.210 1.00 0.00 C ATOM 0 H VAL A 64 -3.099 0.184 -1.590 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.794 0.407 0.273 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.250 2.123 0.027 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.872 3.752 1.270 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.117 2.247 2.188 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.562 2.552 1.376 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.829 3.724 -1.201 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.516 2.523 -1.233 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -2.040 2.199 -2.093 1.00 0.00 H new ATOM 991 N ALA A 65 -1.922 -0.398 2.305 1.00 0.00 N ATOM 992 CA ALA A 65 -2.504 -1.088 3.444 1.00 0.00 C ATOM 993 C ALA A 65 -1.939 -0.495 4.737 1.00 0.00 C ATOM 994 O ALA A 65 -0.749 -0.194 4.818 1.00 0.00 O ATOM 995 CB ALA A 65 -2.235 -2.589 3.325 1.00 0.00 C ATOM 0 H ALA A 65 -0.972 -0.058 2.452 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.585 -0.952 3.463 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.672 -3.106 4.180 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.682 -2.967 2.405 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.160 -2.765 3.305 1.00 0.00 H new ATOM 1001 N GLU A 66 -2.820 -0.344 5.716 1.00 0.00 N ATOM 1002 CA GLU A 66 -2.424 0.207 7.000 1.00 0.00 C ATOM 1003 C GLU A 66 -2.399 -0.892 8.065 1.00 0.00 C ATOM 1004 O GLU A 66 -3.399 -1.575 8.280 1.00 0.00 O ATOM 1005 CB GLU A 66 -3.351 1.351 7.415 1.00 0.00 C ATOM 1006 CG GLU A 66 -2.934 1.931 8.768 1.00 0.00 C ATOM 1007 CD GLU A 66 -4.159 2.323 9.597 1.00 0.00 C ATOM 1008 OE1 GLU A 66 -4.643 3.457 9.394 1.00 0.00 O ATOM 1009 OE2 GLU A 66 -4.584 1.479 10.416 1.00 0.00 O ATOM 0 H GLU A 66 -3.806 -0.594 5.645 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.418 0.615 6.903 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.330 2.134 6.657 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.378 0.990 7.471 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.340 1.198 9.314 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.300 2.804 8.614 1.00 0.00 H new ATOM 1016 N ASN A 67 -1.245 -1.028 8.702 1.00 0.00 N ATOM 1017 CA ASN A 67 -1.077 -2.032 9.738 1.00 0.00 C ATOM 1018 C ASN A 67 -1.258 -3.424 9.129 1.00 0.00 C ATOM 1019 O ASN A 67 -1.962 -4.264 9.688 1.00 0.00 O ATOM 1020 CB ASN A 67 -2.120 -1.862 10.845 1.00 0.00 C ATOM 1021 CG ASN A 67 -1.978 -0.499 11.526 1.00 0.00 C ATOM 1022 OD1 ASN A 67 -0.925 0.116 11.528 1.00 0.00 O ATOM 1023 ND2 ASN A 67 -3.095 -0.064 12.103 1.00 0.00 N ATOM 0 H ASN A 67 -0.418 -0.460 8.520 1.00 0.00 H new ATOM 0 HA ASN A 67 -0.079 -1.915 10.161 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -3.121 -1.960 10.425 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -2.005 -2.655 11.583 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.104 0.835 12.584 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.943 -0.630 12.064 1.00 0.00 H new ATOM 1030 N ASN A 68 -0.611 -3.625 7.990 1.00 0.00 N ATOM 1031 CA ASN A 68 -0.692 -4.900 7.299 1.00 0.00 C ATOM 1032 C ASN A 68 0.663 -5.217 6.662 1.00 0.00 C ATOM 1033 O ASN A 68 1.323 -4.329 6.124 1.00 0.00 O ATOM 1034 CB ASN A 68 -1.739 -4.857 6.184 1.00 0.00 C ATOM 1035 CG ASN A 68 -3.155 -4.947 6.759 1.00 0.00 C ATOM 1036 OD1 ASN A 68 -3.556 -5.944 7.337 1.00 0.00 O ATOM 1037 ND2 ASN A 68 -3.886 -3.853 6.567 1.00 0.00 N ATOM 0 H ASN A 68 -0.029 -2.926 7.529 1.00 0.00 H new ATOM 0 HA ASN A 68 -0.972 -5.661 8.028 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -1.632 -3.934 5.615 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -1.571 -5.681 5.490 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -4.845 -3.813 6.912 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -3.488 -3.053 6.075 1.00 0.00 H new ATOM 1044 N SER A 69 1.038 -6.485 6.744 1.00 0.00 N ATOM 1045 CA SER A 69 2.302 -6.930 6.182 1.00 0.00 C ATOM 1046 C SER A 69 2.090 -7.442 4.756 1.00 0.00 C ATOM 1047 O SER A 69 0.997 -7.887 4.409 1.00 0.00 O ATOM 1048 CB SER A 69 2.936 -8.020 7.049 1.00 0.00 C ATOM 1049 OG SER A 69 2.917 -7.681 8.432 1.00 0.00 O ATOM 0 H SER A 69 0.488 -7.219 7.191 1.00 0.00 H new ATOM 0 HA SER A 69 2.984 -6.080 6.158 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.403 -8.959 6.899 1.00 0.00 H new ATOM 0 HB3 SER A 69 3.965 -8.184 6.730 1.00 0.00 H new ATOM 0 HG SER A 69 3.329 -8.403 8.951 1.00 0.00 H new ATOM 1055 N GLY A 70 3.152 -7.361 3.968 1.00 0.00 N ATOM 1056 CA GLY A 70 3.096 -7.810 2.588 1.00 0.00 C ATOM 1057 C GLY A 70 2.420 -9.179 2.484 1.00 0.00 C ATOM 1058 O GLY A 70 1.777 -9.483 1.480 1.00 0.00 O ATOM 0 H GLY A 70 4.057 -6.991 4.260 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.549 -7.084 1.987 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.105 -7.866 2.179 1.00 0.00 H new ATOM 1062 N SER A 71 2.588 -9.968 3.535 1.00 0.00 N ATOM 1063 CA SER A 71 2.002 -11.297 3.575 1.00 0.00 C ATOM 1064 C SER A 71 0.485 -11.195 3.747 1.00 0.00 C ATOM 1065 O SER A 71 -0.264 -11.964 3.146 1.00 0.00 O ATOM 1066 CB SER A 71 2.610 -12.133 4.703 1.00 0.00 C ATOM 1067 OG SER A 71 2.536 -11.467 5.960 1.00 0.00 O ATOM 0 H SER A 71 3.122 -9.712 4.366 1.00 0.00 H new ATOM 0 HA SER A 71 2.221 -11.796 2.631 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.089 -13.088 4.768 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.652 -12.353 4.470 1.00 0.00 H new ATOM 0 HG SER A 71 2.933 -12.034 6.654 1.00 0.00 H new ATOM 1073 N ASP A 72 0.078 -10.240 4.570 1.00 0.00 N ATOM 1074 CA ASP A 72 -1.336 -10.028 4.828 1.00 0.00 C ATOM 1075 C ASP A 72 -2.025 -9.583 3.537 1.00 0.00 C ATOM 1076 O ASP A 72 -3.087 -10.096 3.186 1.00 0.00 O ATOM 1077 CB ASP A 72 -1.546 -8.935 5.878 1.00 0.00 C ATOM 1078 CG ASP A 72 -1.492 -9.414 7.330 1.00 0.00 C ATOM 1079 OD1 ASP A 72 -0.360 -9.557 7.838 1.00 0.00 O ATOM 1080 OD2 ASP A 72 -2.585 -9.626 7.899 1.00 0.00 O ATOM 0 H ASP A 72 0.702 -9.605 5.067 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.756 -10.965 5.194 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.787 -8.166 5.737 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.513 -8.464 5.702 1.00 0.00 H new ATOM 1085 N VAL A 73 -1.393 -8.632 2.864 1.00 0.00 N ATOM 1086 CA VAL A 73 -1.932 -8.111 1.619 1.00 0.00 C ATOM 1087 C VAL A 73 -1.867 -9.200 0.546 1.00 0.00 C ATOM 1088 O VAL A 73 -2.776 -9.324 -0.273 1.00 0.00 O ATOM 1089 CB VAL A 73 -1.190 -6.834 1.221 1.00 0.00 C ATOM 1090 CG1 VAL A 73 -1.801 -6.214 -0.037 1.00 0.00 C ATOM 1091 CG2 VAL A 73 -1.171 -5.829 2.375 1.00 0.00 C ATOM 0 H VAL A 73 -0.513 -8.209 3.158 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.980 -7.837 1.741 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.158 -7.103 0.994 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.255 -5.308 -0.298 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.738 -6.925 -0.861 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.846 -5.967 0.150 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.638 -4.930 2.066 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.194 -5.568 2.647 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.668 -6.272 3.235 1.00 0.00 H new ATOM 1101 N LEU A 74 -0.783 -9.960 0.584 1.00 0.00 N ATOM 1102 CA LEU A 74 -0.587 -11.034 -0.375 1.00 0.00 C ATOM 1103 C LEU A 74 -1.717 -12.055 -0.228 1.00 0.00 C ATOM 1104 O LEU A 74 -2.487 -12.272 -1.162 1.00 0.00 O ATOM 1105 CB LEU A 74 0.811 -11.637 -0.226 1.00 0.00 C ATOM 1106 CG LEU A 74 1.888 -11.072 -1.154 1.00 0.00 C ATOM 1107 CD1 LEU A 74 3.284 -11.507 -0.704 1.00 0.00 C ATOM 1108 CD2 LEU A 74 1.611 -11.453 -2.610 1.00 0.00 C ATOM 0 H LEU A 74 -0.031 -9.853 1.264 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.635 -10.649 -1.394 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.137 -11.497 0.804 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.741 -12.712 -0.395 1.00 0.00 H new ATOM 0 HG LEU A 74 1.855 -9.984 -1.093 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.030 -11.092 -1.381 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.470 -11.145 0.307 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.348 -12.595 -0.717 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.391 -11.039 -3.249 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.601 -12.539 -2.706 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.643 -11.053 -2.913 1.00 0.00 H new ATOM 1120 N GLU A 75 -1.779 -12.655 0.952 1.00 0.00 N ATOM 1121 CA GLU A 75 -2.801 -13.648 1.233 1.00 0.00 C ATOM 1122 C GLU A 75 -4.170 -13.149 0.763 1.00 0.00 C ATOM 1123 O GLU A 75 -4.969 -13.922 0.237 1.00 0.00 O ATOM 1124 CB GLU A 75 -2.828 -14.002 2.721 1.00 0.00 C ATOM 1125 CG GLU A 75 -1.483 -14.576 3.172 1.00 0.00 C ATOM 1126 CD GLU A 75 -1.664 -15.944 3.832 1.00 0.00 C ATOM 1127 OE1 GLU A 75 -2.475 -16.014 4.781 1.00 0.00 O ATOM 1128 OE2 GLU A 75 -0.988 -16.890 3.372 1.00 0.00 O ATOM 0 H GLU A 75 -1.138 -12.472 1.724 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.558 -14.556 0.682 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.063 -13.113 3.306 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.619 -14.727 2.912 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.817 -14.667 2.314 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.008 -13.890 3.873 1.00 0.00 H new ATOM 1135 N TRP A 76 -4.397 -11.861 0.972 1.00 0.00 N ATOM 1136 CA TRP A 76 -5.655 -11.250 0.576 1.00 0.00 C ATOM 1137 C TRP A 76 -5.717 -11.242 -0.952 1.00 0.00 C ATOM 1138 O TRP A 76 -6.768 -11.504 -1.536 1.00 0.00 O ATOM 1139 CB TRP A 76 -5.803 -9.855 1.187 1.00 0.00 C ATOM 1140 CG TRP A 76 -6.963 -9.042 0.610 1.00 0.00 C ATOM 1141 CD1 TRP A 76 -8.201 -8.905 1.106 1.00 0.00 C ATOM 1142 CD2 TRP A 76 -6.944 -8.256 -0.600 1.00 0.00 C ATOM 1143 NE1 TRP A 76 -8.978 -8.090 0.307 1.00 0.00 N ATOM 1144 CE2 TRP A 76 -8.189 -7.683 -0.763 1.00 0.00 C ATOM 1145 CE3 TRP A 76 -5.909 -8.035 -1.525 1.00 0.00 C ATOM 1146 CZ2 TRP A 76 -8.516 -6.853 -1.842 1.00 0.00 C ATOM 1147 CZ3 TRP A 76 -6.252 -7.204 -2.598 1.00 0.00 C ATOM 1148 CH2 TRP A 76 -7.500 -6.620 -2.777 1.00 0.00 C ATOM 0 H TRP A 76 -3.732 -11.224 1.410 1.00 0.00 H new ATOM 0 HA TRP A 76 -6.499 -11.826 0.956 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -5.943 -9.954 2.263 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -4.875 -9.303 1.035 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -8.547 -9.373 2.016 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -9.951 -7.834 0.471 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -4.927 -8.472 -1.417 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -9.498 -6.416 -1.947 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -5.493 -7.003 -3.339 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -7.686 -5.989 -3.634 1.00 0.00 H new ATOM 1159 N LEU A 77 -4.578 -10.940 -1.558 1.00 0.00 N ATOM 1160 CA LEU A 77 -4.490 -10.895 -3.007 1.00 0.00 C ATOM 1161 C LEU A 77 -5.021 -12.207 -3.587 1.00 0.00 C ATOM 1162 O LEU A 77 -5.933 -12.201 -4.412 1.00 0.00 O ATOM 1163 CB LEU A 77 -3.063 -10.561 -3.447 1.00 0.00 C ATOM 1164 CG LEU A 77 -2.927 -9.472 -4.514 1.00 0.00 C ATOM 1165 CD1 LEU A 77 -4.010 -9.615 -5.584 1.00 0.00 C ATOM 1166 CD2 LEU A 77 -2.927 -8.080 -3.879 1.00 0.00 C ATOM 0 H LEU A 77 -3.708 -10.724 -1.071 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.116 -10.095 -3.402 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.496 -10.254 -2.568 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.598 -11.472 -3.824 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.965 -9.598 -5.011 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.891 -8.829 -6.330 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.920 -10.589 -6.065 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.993 -9.529 -5.121 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.829 -7.324 -4.659 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.862 -7.926 -3.340 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.090 -7.996 -3.186 1.00 0.00 H new ATOM 1178 N GLN A 78 -4.427 -13.301 -3.133 1.00 0.00 N ATOM 1179 CA GLN A 78 -4.830 -14.618 -3.597 1.00 0.00 C ATOM 1180 C GLN A 78 -6.307 -14.863 -3.282 1.00 0.00 C ATOM 1181 O GLN A 78 -6.996 -15.560 -4.026 1.00 0.00 O ATOM 1182 CB GLN A 78 -3.950 -15.708 -2.981 1.00 0.00 C ATOM 1183 CG GLN A 78 -2.504 -15.585 -3.466 1.00 0.00 C ATOM 1184 CD GLN A 78 -1.905 -16.962 -3.759 1.00 0.00 C ATOM 1185 OE1 GLN A 78 -2.595 -17.907 -4.107 1.00 0.00 O ATOM 1186 NE2 GLN A 78 -0.586 -17.023 -3.600 1.00 0.00 N ATOM 0 H GLN A 78 -3.670 -13.303 -2.449 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.698 -14.657 -4.678 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.980 -15.634 -1.894 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.343 -16.690 -3.244 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -2.469 -14.971 -4.366 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -1.905 -15.077 -2.710 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -0.069 -16.194 -3.307 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -0.092 -17.899 -3.772 1.00 0.00 H new ATOM 1195 N ALA A 79 -6.750 -14.276 -2.180 1.00 0.00 N ATOM 1196 CA ALA A 79 -8.133 -14.422 -1.759 1.00 0.00 C ATOM 1197 C ALA A 79 -9.046 -13.731 -2.773 1.00 0.00 C ATOM 1198 O ALA A 79 -10.142 -14.212 -3.055 1.00 0.00 O ATOM 1199 CB ALA A 79 -8.298 -13.858 -0.346 1.00 0.00 C ATOM 0 H ALA A 79 -6.176 -13.698 -1.566 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.415 -15.474 -1.725 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.335 -13.967 -0.030 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.650 -14.402 0.341 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.027 -12.802 -0.342 1.00 0.00 H new ATOM 1205 N GLN A 80 -8.560 -12.613 -3.293 1.00 0.00 N ATOM 1206 CA GLN A 80 -9.320 -11.852 -4.270 1.00 0.00 C ATOM 1207 C GLN A 80 -9.843 -12.774 -5.373 1.00 0.00 C ATOM 1208 O GLN A 80 -9.326 -13.873 -5.565 1.00 0.00 O ATOM 1209 CB GLN A 80 -8.475 -10.719 -4.859 1.00 0.00 C ATOM 1210 CG GLN A 80 -8.022 -9.749 -3.766 1.00 0.00 C ATOM 1211 CD GLN A 80 -9.156 -9.466 -2.779 1.00 0.00 C ATOM 1212 OE1 GLN A 80 -9.985 -8.594 -2.979 1.00 0.00 O ATOM 1213 NE2 GLN A 80 -9.146 -10.250 -1.705 1.00 0.00 N ATOM 0 H GLN A 80 -7.650 -12.216 -3.056 1.00 0.00 H new ATOM 0 HA GLN A 80 -10.174 -11.401 -3.765 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -7.604 -11.135 -5.365 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.054 -10.182 -5.610 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -7.168 -10.168 -3.234 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -7.688 -8.816 -4.219 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -8.423 -10.961 -1.599 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -9.862 -10.140 -0.987 1.00 0.00 H new ATOM 1222 N LYS A 81 -10.864 -12.294 -6.067 1.00 0.00 N ATOM 1223 CA LYS A 81 -11.464 -13.062 -7.145 1.00 0.00 C ATOM 1224 C LYS A 81 -11.166 -12.377 -8.480 1.00 0.00 C ATOM 1225 O LYS A 81 -11.547 -12.878 -9.537 1.00 0.00 O ATOM 1226 CB LYS A 81 -12.956 -13.277 -6.884 1.00 0.00 C ATOM 1227 CG LYS A 81 -13.615 -14.021 -8.047 1.00 0.00 C ATOM 1228 CD LYS A 81 -14.687 -14.989 -7.542 1.00 0.00 C ATOM 1229 CE LYS A 81 -16.072 -14.340 -7.578 1.00 0.00 C ATOM 1230 NZ LYS A 81 -17.127 -15.374 -7.650 1.00 0.00 N ATOM 0 H LYS A 81 -11.291 -11.382 -5.904 1.00 0.00 H new ATOM 0 HA LYS A 81 -11.026 -14.059 -7.192 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -13.090 -13.844 -5.963 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -13.446 -12.314 -6.739 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -14.063 -13.304 -8.735 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.858 -14.571 -8.607 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -14.687 -15.890 -8.156 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -14.452 -15.298 -6.523 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -16.216 -13.727 -6.689 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -16.146 -13.676 -8.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -18.061 -14.916 -7.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -16.998 -15.942 -8.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -17.065 -15.992 -6.816 1.00 0.00 H new ATOM 1244 N VAL A 82 -10.487 -11.243 -8.389 1.00 0.00 N ATOM 1245 CA VAL A 82 -10.134 -10.484 -9.577 1.00 0.00 C ATOM 1246 C VAL A 82 -8.861 -11.070 -10.191 1.00 0.00 C ATOM 1247 O VAL A 82 -8.182 -11.882 -9.564 1.00 0.00 O ATOM 1248 CB VAL A 82 -10.002 -9.000 -9.230 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -8.970 -8.786 -8.121 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -9.653 -8.176 -10.471 1.00 0.00 C ATOM 0 H VAL A 82 -10.172 -10.831 -7.511 1.00 0.00 H new ATOM 0 HA VAL A 82 -10.922 -10.560 -10.327 1.00 0.00 H new ATOM 0 HB VAL A 82 -10.967 -8.655 -8.860 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -8.896 -7.723 -7.893 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -9.279 -9.328 -7.227 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -7.999 -9.155 -8.451 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -9.565 -7.125 -10.197 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -8.706 -8.524 -10.884 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -10.439 -8.292 -11.217 1.00 0.00 H new ATOM 1260 N GLN A 83 -8.575 -10.636 -11.409 1.00 0.00 N ATOM 1261 CA GLN A 83 -7.396 -11.107 -12.115 1.00 0.00 C ATOM 1262 C GLN A 83 -6.470 -9.934 -12.443 1.00 0.00 C ATOM 1263 O GLN A 83 -6.913 -8.920 -12.979 1.00 0.00 O ATOM 1264 CB GLN A 83 -7.783 -11.872 -13.382 1.00 0.00 C ATOM 1265 CG GLN A 83 -8.440 -10.942 -14.404 1.00 0.00 C ATOM 1266 CD GLN A 83 -9.291 -11.734 -15.399 1.00 0.00 C ATOM 1267 OE1 GLN A 83 -8.836 -12.146 -16.453 1.00 0.00 O ATOM 1268 NE2 GLN A 83 -10.547 -11.922 -15.007 1.00 0.00 N ATOM 0 H GLN A 83 -9.140 -9.962 -11.926 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.859 -11.797 -11.465 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -6.896 -12.331 -13.819 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -8.468 -12.681 -13.128 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -9.063 -10.211 -13.888 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -7.672 -10.384 -14.940 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -10.863 -11.550 -14.111 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -11.195 -12.439 -15.602 1.00 0.00 H new ATOM 1277 N VAL A 84 -5.200 -10.112 -12.109 1.00 0.00 N ATOM 1278 CA VAL A 84 -4.208 -9.081 -12.362 1.00 0.00 C ATOM 1279 C VAL A 84 -3.166 -9.613 -13.348 1.00 0.00 C ATOM 1280 O VAL A 84 -2.744 -10.764 -13.250 1.00 0.00 O ATOM 1281 CB VAL A 84 -3.595 -8.609 -11.041 1.00 0.00 C ATOM 1282 CG1 VAL A 84 -4.298 -7.350 -10.530 1.00 0.00 C ATOM 1283 CG2 VAL A 84 -3.631 -9.722 -9.992 1.00 0.00 C ATOM 0 H VAL A 84 -4.835 -10.955 -11.665 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.673 -8.208 -12.820 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.551 -8.357 -11.226 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.844 -7.035 -9.590 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.197 -6.553 -11.267 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -5.355 -7.563 -10.368 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.190 -9.361 -9.063 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.664 -10.019 -9.812 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.065 -10.581 -10.353 1.00 0.00 H new ATOM 1293 N SER A 85 -2.782 -8.750 -14.276 1.00 0.00 N ATOM 1294 CA SER A 85 -1.797 -9.118 -15.279 1.00 0.00 C ATOM 1295 C SER A 85 -0.396 -9.113 -14.664 1.00 0.00 C ATOM 1296 O SER A 85 0.479 -9.860 -15.099 1.00 0.00 O ATOM 1297 CB SER A 85 -1.853 -8.171 -16.480 1.00 0.00 C ATOM 1298 OG SER A 85 -2.522 -8.758 -17.592 1.00 0.00 O ATOM 0 H SER A 85 -3.135 -7.796 -14.355 1.00 0.00 H new ATOM 0 HA SER A 85 -2.028 -10.123 -15.632 1.00 0.00 H new ATOM 0 HB2 SER A 85 -2.364 -7.252 -16.193 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.840 -7.895 -16.771 1.00 0.00 H new ATOM 0 HG SER A 85 -2.538 -8.122 -18.337 1.00 0.00 H new ATOM 1304 N SER A 86 -0.228 -8.263 -13.662 1.00 0.00 N ATOM 1305 CA SER A 86 1.052 -8.152 -12.982 1.00 0.00 C ATOM 1306 C SER A 86 0.836 -7.750 -11.522 1.00 0.00 C ATOM 1307 O SER A 86 0.278 -6.690 -11.242 1.00 0.00 O ATOM 1308 CB SER A 86 1.961 -7.139 -13.683 1.00 0.00 C ATOM 1309 OG SER A 86 1.328 -5.872 -13.837 1.00 0.00 O ATOM 0 H SER A 86 -0.956 -7.645 -13.304 1.00 0.00 H new ATOM 0 HA SER A 86 1.543 -9.125 -13.015 1.00 0.00 H new ATOM 0 HB2 SER A 86 2.880 -7.018 -13.109 1.00 0.00 H new ATOM 0 HB3 SER A 86 2.245 -7.524 -14.662 1.00 0.00 H new ATOM 0 HG SER A 86 0.741 -5.704 -13.071 1.00 0.00 H new ATOM 1315 N GLN A 87 1.289 -8.618 -10.630 1.00 0.00 N ATOM 1316 CA GLN A 87 1.152 -8.367 -9.205 1.00 0.00 C ATOM 1317 C GLN A 87 1.435 -6.895 -8.896 1.00 0.00 C ATOM 1318 O GLN A 87 2.461 -6.357 -9.307 1.00 0.00 O ATOM 1319 CB GLN A 87 2.072 -9.283 -8.396 1.00 0.00 C ATOM 1320 CG GLN A 87 1.332 -9.888 -7.201 1.00 0.00 C ATOM 1321 CD GLN A 87 2.253 -10.800 -6.389 1.00 0.00 C ATOM 1322 OE1 GLN A 87 3.281 -10.390 -5.877 1.00 0.00 O ATOM 1323 NE2 GLN A 87 1.828 -12.057 -6.301 1.00 0.00 N ATOM 0 H GLN A 87 1.751 -9.496 -10.866 1.00 0.00 H new ATOM 0 HA GLN A 87 0.125 -8.589 -8.914 1.00 0.00 H new ATOM 0 HB2 GLN A 87 2.450 -10.081 -9.035 1.00 0.00 H new ATOM 0 HB3 GLN A 87 2.936 -8.718 -8.045 1.00 0.00 H new ATOM 0 HG2 GLN A 87 0.950 -9.090 -6.564 1.00 0.00 H new ATOM 0 HG3 GLN A 87 0.470 -10.455 -7.552 1.00 0.00 H new ATOM 0 HE21 GLN A 87 0.957 -12.334 -6.754 1.00 0.00 H new ATOM 0 HE22 GLN A 87 2.373 -12.744 -5.780 1.00 0.00 H new ATOM 1332 N PRO A 88 0.481 -6.270 -8.155 1.00 0.00 N ATOM 1333 CA PRO A 88 0.617 -4.872 -7.786 1.00 0.00 C ATOM 1334 C PRO A 88 1.648 -4.697 -6.669 1.00 0.00 C ATOM 1335 O PRO A 88 2.074 -5.673 -6.055 1.00 0.00 O ATOM 1336 CB PRO A 88 -0.780 -4.435 -7.378 1.00 0.00 C ATOM 1337 CG PRO A 88 -1.549 -5.714 -7.088 1.00 0.00 C ATOM 1338 CD PRO A 88 -0.748 -6.876 -7.651 1.00 0.00 C ATOM 0 HA PRO A 88 0.990 -4.256 -8.604 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -0.747 -3.791 -6.499 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -1.258 -3.864 -8.173 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -1.696 -5.836 -6.015 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.539 -5.676 -7.543 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -0.536 -7.620 -6.883 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -1.294 -7.385 -8.446 1.00 0.00 H new ATOM 1346 N GLU A 89 2.020 -3.446 -6.441 1.00 0.00 N ATOM 1347 CA GLU A 89 2.993 -3.131 -5.409 1.00 0.00 C ATOM 1348 C GLU A 89 2.318 -3.096 -4.036 1.00 0.00 C ATOM 1349 O GLU A 89 1.214 -2.573 -3.895 1.00 0.00 O ATOM 1350 CB GLU A 89 3.698 -1.806 -5.706 1.00 0.00 C ATOM 1351 CG GLU A 89 5.114 -2.045 -6.235 1.00 0.00 C ATOM 1352 CD GLU A 89 5.896 -2.976 -5.306 1.00 0.00 C ATOM 1353 OE1 GLU A 89 5.774 -2.785 -4.077 1.00 0.00 O ATOM 1354 OE2 GLU A 89 6.597 -3.858 -5.846 1.00 0.00 O ATOM 0 H GLU A 89 1.665 -2.639 -6.953 1.00 0.00 H new ATOM 0 HA GLU A 89 3.751 -3.915 -5.401 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.123 -1.240 -6.439 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.742 -1.202 -4.800 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.065 -2.479 -7.234 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.637 -1.093 -6.327 1.00 0.00 H new ATOM 1361 N LEU A 90 3.011 -3.661 -3.057 1.00 0.00 N ATOM 1362 CA LEU A 90 2.492 -3.702 -1.701 1.00 0.00 C ATOM 1363 C LEU A 90 3.262 -2.702 -0.835 1.00 0.00 C ATOM 1364 O LEU A 90 4.390 -2.971 -0.423 1.00 0.00 O ATOM 1365 CB LEU A 90 2.520 -5.132 -1.159 1.00 0.00 C ATOM 1366 CG LEU A 90 2.086 -6.227 -2.136 1.00 0.00 C ATOM 1367 CD1 LEU A 90 1.733 -7.517 -1.392 1.00 0.00 C ATOM 1368 CD2 LEU A 90 0.938 -5.746 -3.025 1.00 0.00 C ATOM 0 H LEU A 90 3.927 -4.094 -3.177 1.00 0.00 H new ATOM 0 HA LEU A 90 1.445 -3.400 -1.685 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.533 -5.353 -0.823 1.00 0.00 H new ATOM 0 HB3 LEU A 90 1.876 -5.180 -0.281 1.00 0.00 H new ATOM 0 HG LEU A 90 2.927 -6.453 -2.791 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.428 -8.279 -2.109 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.604 -7.868 -0.839 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.915 -7.324 -0.697 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.649 -6.543 -3.710 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.085 -5.475 -2.403 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.261 -4.876 -3.597 1.00 0.00 H new ATOM 1380 N LEU A 91 2.622 -1.569 -0.585 1.00 0.00 N ATOM 1381 CA LEU A 91 3.233 -0.528 0.224 1.00 0.00 C ATOM 1382 C LEU A 91 2.287 -0.157 1.368 1.00 0.00 C ATOM 1383 O LEU A 91 1.087 -0.415 1.295 1.00 0.00 O ATOM 1384 CB LEU A 91 3.637 0.661 -0.649 1.00 0.00 C ATOM 1385 CG LEU A 91 4.049 0.330 -2.085 1.00 0.00 C ATOM 1386 CD1 LEU A 91 3.580 1.416 -3.055 1.00 0.00 C ATOM 1387 CD2 LEU A 91 5.556 0.087 -2.182 1.00 0.00 C ATOM 0 H LEU A 91 1.687 -1.349 -0.928 1.00 0.00 H new ATOM 0 HA LEU A 91 4.156 -0.890 0.677 1.00 0.00 H new ATOM 0 HB2 LEU A 91 2.802 1.361 -0.684 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.466 1.177 -0.164 1.00 0.00 H new ATOM 0 HG LEU A 91 3.555 -0.597 -2.376 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.886 1.156 -4.068 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.494 1.497 -3.013 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.026 2.371 -2.775 1.00 0.00 H new ATOM 0 HD21 LEU A 91 5.821 -0.146 -3.213 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.090 0.982 -1.863 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.832 -0.748 -1.539 1.00 0.00 H new ATOM 1399 N ASP A 92 2.864 0.443 2.399 1.00 0.00 N ATOM 1400 CA ASP A 92 2.088 0.852 3.557 1.00 0.00 C ATOM 1401 C ASP A 92 1.541 2.263 3.327 1.00 0.00 C ATOM 1402 O ASP A 92 2.038 2.993 2.470 1.00 0.00 O ATOM 1403 CB ASP A 92 2.953 0.881 4.819 1.00 0.00 C ATOM 1404 CG ASP A 92 2.564 -0.138 5.892 1.00 0.00 C ATOM 1405 OD1 ASP A 92 1.367 -0.154 6.252 1.00 0.00 O ATOM 1406 OD2 ASP A 92 3.473 -0.876 6.329 1.00 0.00 O ATOM 0 H ASP A 92 3.860 0.656 2.456 1.00 0.00 H new ATOM 0 HA ASP A 92 1.279 0.134 3.691 1.00 0.00 H new ATOM 0 HB2 ASP A 92 3.991 0.708 4.534 1.00 0.00 H new ATOM 0 HB3 ASP A 92 2.903 1.880 5.253 1.00 0.00 H new ATOM 1411 N VAL A 93 0.527 2.605 4.108 1.00 0.00 N ATOM 1412 CA VAL A 93 -0.092 3.915 4.000 1.00 0.00 C ATOM 1413 C VAL A 93 0.999 4.985 3.928 1.00 0.00 C ATOM 1414 O VAL A 93 0.778 6.066 3.384 1.00 0.00 O ATOM 1415 CB VAL A 93 -1.066 4.131 5.160 1.00 0.00 C ATOM 1416 CG1 VAL A 93 -0.350 4.009 6.507 1.00 0.00 C ATOM 1417 CG2 VAL A 93 -1.775 5.481 5.036 1.00 0.00 C ATOM 0 H VAL A 93 0.119 1.998 4.818 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.678 3.986 3.084 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.824 3.349 5.112 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -1.065 4.167 7.315 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.087 3.014 6.598 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.439 4.759 6.569 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.462 5.610 5.873 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.036 6.282 5.046 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.333 5.514 4.100 1.00 0.00 H new ATOM 1427 N SER A 94 2.152 4.647 4.485 1.00 0.00 N ATOM 1428 CA SER A 94 3.278 5.566 4.491 1.00 0.00 C ATOM 1429 C SER A 94 3.545 6.075 3.073 1.00 0.00 C ATOM 1430 O SER A 94 3.508 7.279 2.825 1.00 0.00 O ATOM 1431 CB SER A 94 4.531 4.897 5.060 1.00 0.00 C ATOM 1432 OG SER A 94 5.725 5.540 4.621 1.00 0.00 O ATOM 0 H SER A 94 2.331 3.750 4.935 1.00 0.00 H new ATOM 0 HA SER A 94 3.027 6.411 5.132 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.489 4.915 6.149 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.551 3.850 4.759 1.00 0.00 H new ATOM 0 HG SER A 94 6.502 5.085 5.007 1.00 0.00 H new ATOM 1438 N TRP A 95 3.809 5.133 2.180 1.00 0.00 N ATOM 1439 CA TRP A 95 4.083 5.471 0.794 1.00 0.00 C ATOM 1440 C TRP A 95 3.091 6.556 0.367 1.00 0.00 C ATOM 1441 O TRP A 95 3.491 7.659 0.001 1.00 0.00 O ATOM 1442 CB TRP A 95 4.028 4.228 -0.095 1.00 0.00 C ATOM 1443 CG TRP A 95 4.509 4.465 -1.528 1.00 0.00 C ATOM 1444 CD1 TRP A 95 5.751 4.744 -1.946 1.00 0.00 C ATOM 1445 CD2 TRP A 95 3.700 4.433 -2.723 1.00 0.00 C ATOM 1446 NE1 TRP A 95 5.803 4.893 -3.317 1.00 0.00 N ATOM 1447 CE2 TRP A 95 4.516 4.698 -3.804 1.00 0.00 C ATOM 1448 CE3 TRP A 95 2.325 4.188 -2.885 1.00 0.00 C ATOM 1449 CZ2 TRP A 95 4.049 4.744 -5.124 1.00 0.00 C ATOM 1450 CZ3 TRP A 95 1.874 4.238 -4.210 1.00 0.00 C ATOM 1451 CH2 TRP A 95 2.682 4.503 -5.309 1.00 0.00 C ATOM 0 H TRP A 95 3.839 4.135 2.389 1.00 0.00 H new ATOM 0 HA TRP A 95 5.095 5.862 0.685 1.00 0.00 H new ATOM 0 HB2 TRP A 95 4.636 3.444 0.356 1.00 0.00 H new ATOM 0 HB3 TRP A 95 3.003 3.859 -0.123 1.00 0.00 H new ATOM 0 HD1 TRP A 95 6.605 4.840 -1.292 1.00 0.00 H new ATOM 0 HE1 TRP A 95 6.633 5.107 -3.871 1.00 0.00 H new ATOM 0 HE3 TRP A 95 1.669 3.978 -2.054 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 4.708 4.954 -5.954 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 0.824 4.058 -4.390 1.00 0.00 H new ATOM 0 HH2 TRP A 95 2.257 4.523 -6.302 1.00 0.00 H new ATOM 1462 N LEU A 96 1.815 6.203 0.429 1.00 0.00 N ATOM 1463 CA LEU A 96 0.763 7.132 0.054 1.00 0.00 C ATOM 1464 C LEU A 96 1.007 8.477 0.741 1.00 0.00 C ATOM 1465 O LEU A 96 1.135 9.504 0.076 1.00 0.00 O ATOM 1466 CB LEU A 96 -0.613 6.531 0.349 1.00 0.00 C ATOM 1467 CG LEU A 96 -1.789 7.140 -0.417 1.00 0.00 C ATOM 1468 CD1 LEU A 96 -1.409 7.420 -1.872 1.00 0.00 C ATOM 1469 CD2 LEU A 96 -3.031 6.252 -0.310 1.00 0.00 C ATOM 0 H LEU A 96 1.486 5.287 0.733 1.00 0.00 H new ATOM 0 HA LEU A 96 0.782 7.315 -1.020 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.576 5.464 0.130 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.810 6.631 1.416 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.037 8.097 0.041 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.262 7.852 -2.394 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.573 8.119 -1.902 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.120 6.488 -2.358 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.853 6.707 -0.863 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.813 5.269 -0.728 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.313 6.146 0.737 1.00 0.00 H new ATOM 1481 N ILE A 97 1.064 8.427 2.064 1.00 0.00 N ATOM 1482 CA ILE A 97 1.290 9.629 2.849 1.00 0.00 C ATOM 1483 C ILE A 97 2.374 10.475 2.178 1.00 0.00 C ATOM 1484 O ILE A 97 2.183 11.668 1.949 1.00 0.00 O ATOM 1485 CB ILE A 97 1.603 9.269 4.302 1.00 0.00 C ATOM 1486 CG1 ILE A 97 0.332 8.868 5.054 1.00 0.00 C ATOM 1487 CG2 ILE A 97 2.348 10.408 5.002 1.00 0.00 C ATOM 1488 CD1 ILE A 97 0.670 8.267 6.420 1.00 0.00 C ATOM 0 H ILE A 97 0.958 7.573 2.612 1.00 0.00 H new ATOM 0 HA ILE A 97 0.386 10.237 2.883 1.00 0.00 H new ATOM 0 HB ILE A 97 2.265 8.403 4.304 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -0.308 9.741 5.185 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -0.231 8.145 4.464 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.558 10.126 6.034 1.00 0.00 H new ATOM 0 HG22 ILE A 97 3.285 10.604 4.481 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.732 11.307 4.990 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.251 7.991 6.934 1.00 0.00 H new ATOM 0 HD12 ILE A 97 1.290 7.381 6.284 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.212 9.001 7.016 1.00 0.00 H new ATOM 1500 N GLU A 98 3.489 9.823 1.881 1.00 0.00 N ATOM 1501 CA GLU A 98 4.604 10.500 1.240 1.00 0.00 C ATOM 1502 C GLU A 98 4.237 10.886 -0.194 1.00 0.00 C ATOM 1503 O GLU A 98 4.444 12.026 -0.606 1.00 0.00 O ATOM 1504 CB GLU A 98 5.863 9.631 1.270 1.00 0.00 C ATOM 1505 CG GLU A 98 6.442 9.553 2.684 1.00 0.00 C ATOM 1506 CD GLU A 98 7.854 10.141 2.731 1.00 0.00 C ATOM 1507 OE1 GLU A 98 8.042 11.216 2.121 1.00 0.00 O ATOM 1508 OE2 GLU A 98 8.714 9.502 3.376 1.00 0.00 O ATOM 0 H GLU A 98 3.644 8.833 2.072 1.00 0.00 H new ATOM 0 HA GLU A 98 4.819 11.412 1.797 1.00 0.00 H new ATOM 0 HB2 GLU A 98 5.626 8.628 0.915 1.00 0.00 H new ATOM 0 HB3 GLU A 98 6.609 10.042 0.590 1.00 0.00 H new ATOM 0 HG2 GLU A 98 5.796 10.093 3.376 1.00 0.00 H new ATOM 0 HG3 GLU A 98 6.465 8.515 3.015 1.00 0.00 H new ATOM 1515 N CYS A 99 3.700 9.913 -0.915 1.00 0.00 N ATOM 1516 CA CYS A 99 3.302 10.136 -2.295 1.00 0.00 C ATOM 1517 C CYS A 99 2.479 11.425 -2.355 1.00 0.00 C ATOM 1518 O CYS A 99 2.428 12.085 -3.392 1.00 0.00 O ATOM 1519 CB CYS A 99 2.535 8.941 -2.864 1.00 0.00 C ATOM 1520 SG CYS A 99 3.568 7.434 -2.774 1.00 0.00 S ATOM 0 H CYS A 99 3.531 8.968 -0.570 1.00 0.00 H new ATOM 0 HA CYS A 99 4.189 10.243 -2.919 1.00 0.00 H new ATOM 0 HB2 CYS A 99 1.611 8.792 -2.305 1.00 0.00 H new ATOM 0 HB3 CYS A 99 2.254 9.138 -3.899 1.00 0.00 H new ATOM 0 HG CYS A 99 2.806 6.382 -2.819 1.00 0.00 H new ATOM 1526 N ILE A 100 1.855 11.743 -1.231 1.00 0.00 N ATOM 1527 CA ILE A 100 1.036 12.940 -1.143 1.00 0.00 C ATOM 1528 C ILE A 100 1.929 14.142 -0.826 1.00 0.00 C ATOM 1529 O ILE A 100 1.950 15.118 -1.573 1.00 0.00 O ATOM 1530 CB ILE A 100 -0.102 12.739 -0.140 1.00 0.00 C ATOM 1531 CG1 ILE A 100 -1.048 11.628 -0.601 1.00 0.00 C ATOM 1532 CG2 ILE A 100 -0.843 14.052 0.120 1.00 0.00 C ATOM 1533 CD1 ILE A 100 -2.132 11.362 0.446 1.00 0.00 C ATOM 0 H ILE A 100 1.900 11.193 -0.373 1.00 0.00 H new ATOM 0 HA ILE A 100 0.555 13.143 -2.100 1.00 0.00 H new ATOM 0 HB ILE A 100 0.331 12.421 0.809 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.512 11.909 -1.547 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.481 10.715 -0.783 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -1.647 13.881 0.836 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -0.148 14.788 0.524 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -1.263 14.424 -0.814 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.791 10.568 0.094 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.666 11.058 1.383 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -2.712 12.270 0.608 1.00 0.00 H new ATOM 1545 N GLY A 101 2.646 14.030 0.283 1.00 0.00 N ATOM 1546 CA GLY A 101 3.539 15.094 0.708 1.00 0.00 C ATOM 1547 C GLY A 101 4.632 15.341 -0.334 1.00 0.00 C ATOM 1548 O GLY A 101 5.334 16.349 -0.274 1.00 0.00 O ATOM 0 H GLY A 101 2.626 13.218 0.900 1.00 0.00 H new ATOM 0 HA2 GLY A 101 2.970 16.010 0.867 1.00 0.00 H new ATOM 0 HA3 GLY A 101 3.994 14.832 1.663 1.00 0.00 H new ATOM 1552 N ALA A 102 4.742 14.403 -1.263 1.00 0.00 N ATOM 1553 CA ALA A 102 5.738 14.506 -2.316 1.00 0.00 C ATOM 1554 C ALA A 102 5.050 14.892 -3.627 1.00 0.00 C ATOM 1555 O ALA A 102 5.716 15.180 -4.620 1.00 0.00 O ATOM 1556 CB ALA A 102 6.504 13.186 -2.425 1.00 0.00 C ATOM 0 H ALA A 102 4.158 13.568 -1.309 1.00 0.00 H new ATOM 0 HA ALA A 102 6.464 15.285 -2.083 1.00 0.00 H new ATOM 0 HB1 ALA A 102 7.251 13.263 -3.215 1.00 0.00 H new ATOM 0 HB2 ALA A 102 6.998 12.973 -1.477 1.00 0.00 H new ATOM 0 HB3 ALA A 102 5.809 12.380 -2.661 1.00 0.00 H new ATOM 1562 N GLY A 103 3.726 14.884 -3.588 1.00 0.00 N ATOM 1563 CA GLY A 103 2.940 15.229 -4.760 1.00 0.00 C ATOM 1564 C GLY A 103 3.368 14.398 -5.971 1.00 0.00 C ATOM 1565 O GLY A 103 3.114 14.780 -7.112 1.00 0.00 O ATOM 0 H GLY A 103 3.177 14.644 -2.762 1.00 0.00 H new ATOM 0 HA2 GLY A 103 1.883 15.062 -4.555 1.00 0.00 H new ATOM 0 HA3 GLY A 103 3.058 16.290 -4.982 1.00 0.00 H new ATOM 1569 N LYS A 104 4.011 13.276 -5.681 1.00 0.00 N ATOM 1570 CA LYS A 104 4.477 12.387 -6.732 1.00 0.00 C ATOM 1571 C LYS A 104 4.680 10.985 -6.156 1.00 0.00 C ATOM 1572 O LYS A 104 4.662 10.801 -4.940 1.00 0.00 O ATOM 1573 CB LYS A 104 5.725 12.962 -7.406 1.00 0.00 C ATOM 1574 CG LYS A 104 6.998 12.431 -6.744 1.00 0.00 C ATOM 1575 CD LYS A 104 8.241 13.114 -7.320 1.00 0.00 C ATOM 1576 CE LYS A 104 8.946 13.957 -6.255 1.00 0.00 C ATOM 1577 NZ LYS A 104 9.999 14.795 -6.871 1.00 0.00 N ATOM 0 H LYS A 104 4.220 12.962 -4.733 1.00 0.00 H new ATOM 0 HA LYS A 104 3.728 12.303 -7.519 1.00 0.00 H new ATOM 0 HB2 LYS A 104 5.725 12.701 -8.464 1.00 0.00 H new ATOM 0 HB3 LYS A 104 5.706 14.050 -7.347 1.00 0.00 H new ATOM 0 HG2 LYS A 104 6.951 12.601 -5.668 1.00 0.00 H new ATOM 0 HG3 LYS A 104 7.068 11.354 -6.894 1.00 0.00 H new ATOM 0 HD2 LYS A 104 8.928 12.361 -7.707 1.00 0.00 H new ATOM 0 HD3 LYS A 104 7.956 13.747 -8.160 1.00 0.00 H new ATOM 0 HE2 LYS A 104 8.220 14.591 -5.745 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.386 13.306 -5.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 10.468 15.361 -6.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 10.700 14.184 -7.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 9.570 15.430 -7.575 1.00 0.00 H new ATOM 1591 N PRO A 105 4.873 10.006 -7.080 1.00 0.00 N ATOM 1592 CA PRO A 105 5.080 8.625 -6.676 1.00 0.00 C ATOM 1593 C PRO A 105 6.489 8.423 -6.115 1.00 0.00 C ATOM 1594 O PRO A 105 7.415 8.100 -6.857 1.00 0.00 O ATOM 1595 CB PRO A 105 4.815 7.805 -7.928 1.00 0.00 C ATOM 1596 CG PRO A 105 4.926 8.775 -9.093 1.00 0.00 C ATOM 1597 CD PRO A 105 4.901 10.186 -8.528 1.00 0.00 C ATOM 0 HA PRO A 105 4.416 8.319 -5.868 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.538 6.995 -8.024 1.00 0.00 H new ATOM 0 HB3 PRO A 105 3.826 7.348 -7.893 1.00 0.00 H new ATOM 0 HG2 PRO A 105 5.848 8.602 -9.647 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.102 8.629 -9.792 1.00 0.00 H new ATOM 0 HD2 PRO A 105 5.778 10.753 -8.839 1.00 0.00 H new ATOM 0 HD3 PRO A 105 4.026 10.736 -8.875 1.00 0.00 H new ATOM 1605 N VAL A 106 6.606 8.621 -4.811 1.00 0.00 N ATOM 1606 CA VAL A 106 7.887 8.464 -4.142 1.00 0.00 C ATOM 1607 C VAL A 106 8.528 7.146 -4.580 1.00 0.00 C ATOM 1608 O VAL A 106 7.862 6.290 -5.161 1.00 0.00 O ATOM 1609 CB VAL A 106 7.702 8.565 -2.627 1.00 0.00 C ATOM 1610 CG1 VAL A 106 7.419 10.007 -2.203 1.00 0.00 C ATOM 1611 CG2 VAL A 106 6.595 7.624 -2.146 1.00 0.00 C ATOM 0 H VAL A 106 5.835 8.889 -4.199 1.00 0.00 H new ATOM 0 HA VAL A 106 8.568 9.266 -4.427 1.00 0.00 H new ATOM 0 HB VAL A 106 8.634 8.255 -2.155 1.00 0.00 H new ATOM 0 HG11 VAL A 106 7.292 10.050 -1.121 1.00 0.00 H new ATOM 0 HG12 VAL A 106 8.255 10.643 -2.496 1.00 0.00 H new ATOM 0 HG13 VAL A 106 6.509 10.357 -2.690 1.00 0.00 H new ATOM 0 HG21 VAL A 106 6.484 7.715 -1.066 1.00 0.00 H new ATOM 0 HG22 VAL A 106 5.656 7.889 -2.631 1.00 0.00 H new ATOM 0 HG23 VAL A 106 6.856 6.596 -2.398 1.00 0.00 H new ATOM 1621 N GLU A 107 9.814 7.023 -4.286 1.00 0.00 N ATOM 1622 CA GLU A 107 10.552 5.824 -4.642 1.00 0.00 C ATOM 1623 C GLU A 107 10.288 4.715 -3.621 1.00 0.00 C ATOM 1624 O GLU A 107 10.145 4.985 -2.429 1.00 0.00 O ATOM 1625 CB GLU A 107 12.049 6.116 -4.759 1.00 0.00 C ATOM 1626 CG GLU A 107 12.728 6.061 -3.389 1.00 0.00 C ATOM 1627 CD GLU A 107 13.797 7.149 -3.262 1.00 0.00 C ATOM 1628 OE1 GLU A 107 14.412 7.464 -4.304 1.00 0.00 O ATOM 1629 OE2 GLU A 107 13.974 7.640 -2.127 1.00 0.00 O ATOM 0 H GLU A 107 10.364 7.735 -3.805 1.00 0.00 H new ATOM 0 HA GLU A 107 10.204 5.483 -5.617 1.00 0.00 H new ATOM 0 HB2 GLU A 107 12.513 5.391 -5.428 1.00 0.00 H new ATOM 0 HB3 GLU A 107 12.197 7.100 -5.203 1.00 0.00 H new ATOM 0 HG2 GLU A 107 11.982 6.186 -2.604 1.00 0.00 H new ATOM 0 HG3 GLU A 107 13.182 5.081 -3.244 1.00 0.00 H new ATOM 1636 N MET A 108 10.232 3.491 -4.125 1.00 0.00 N ATOM 1637 CA MET A 108 9.988 2.341 -3.272 1.00 0.00 C ATOM 1638 C MET A 108 11.282 1.568 -3.010 1.00 0.00 C ATOM 1639 O MET A 108 11.588 0.607 -3.714 1.00 0.00 O ATOM 1640 CB MET A 108 8.967 1.417 -3.940 1.00 0.00 C ATOM 1641 CG MET A 108 7.592 2.084 -4.016 1.00 0.00 C ATOM 1642 SD MET A 108 7.364 2.831 -5.621 1.00 0.00 S ATOM 1643 CE MET A 108 7.120 1.368 -6.613 1.00 0.00 C ATOM 0 H MET A 108 10.352 3.271 -5.114 1.00 0.00 H new ATOM 0 HA MET A 108 9.600 2.696 -2.317 1.00 0.00 H new ATOM 0 HB2 MET A 108 9.306 1.159 -4.943 1.00 0.00 H new ATOM 0 HB3 MET A 108 8.893 0.485 -3.379 1.00 0.00 H new ATOM 0 HG2 MET A 108 6.810 1.346 -3.835 1.00 0.00 H new ATOM 0 HG3 MET A 108 7.502 2.841 -3.237 1.00 0.00 H new ATOM 0 HE1 MET A 108 7.813 1.379 -7.454 1.00 0.00 H new ATOM 0 HE2 MET A 108 7.301 0.482 -6.005 1.00 0.00 H new ATOM 0 HE3 MET A 108 6.096 1.349 -6.987 1.00 0.00 H new ATOM 1653 N THR A 109 12.007 2.016 -1.996 1.00 0.00 N ATOM 1654 CA THR A 109 13.261 1.378 -1.633 1.00 0.00 C ATOM 1655 C THR A 109 12.998 0.027 -0.965 1.00 0.00 C ATOM 1656 O THR A 109 13.680 -0.955 -1.254 1.00 0.00 O ATOM 1657 CB THR A 109 14.047 2.350 -0.750 1.00 0.00 C ATOM 1658 OG1 THR A 109 13.237 2.494 0.414 1.00 0.00 O ATOM 1659 CG2 THR A 109 14.106 3.760 -1.340 1.00 0.00 C ATOM 0 H THR A 109 11.750 2.813 -1.414 1.00 0.00 H new ATOM 0 HA THR A 109 13.863 1.157 -2.515 1.00 0.00 H new ATOM 0 HB THR A 109 15.060 1.974 -0.608 1.00 0.00 H new ATOM 0 HG1 THR A 109 13.673 3.107 1.042 1.00 0.00 H new ATOM 0 HG21 THR A 109 14.675 4.409 -0.674 1.00 0.00 H new ATOM 0 HG22 THR A 109 14.591 3.726 -2.316 1.00 0.00 H new ATOM 0 HG23 THR A 109 13.094 4.151 -1.451 1.00 0.00 H new ATOM 1667 N GLY A 110 12.008 0.021 -0.085 1.00 0.00 N ATOM 1668 CA GLY A 110 11.647 -1.194 0.626 1.00 0.00 C ATOM 1669 C GLY A 110 10.908 -0.869 1.926 1.00 0.00 C ATOM 1670 O GLY A 110 9.946 -1.548 2.284 1.00 0.00 O ATOM 0 H GLY A 110 11.445 0.838 0.152 1.00 0.00 H new ATOM 0 HA2 GLY A 110 11.017 -1.818 -0.009 1.00 0.00 H new ATOM 0 HA3 GLY A 110 12.545 -1.770 0.848 1.00 0.00 H new ATOM 1674 N LYS A 111 11.385 0.168 2.597 1.00 0.00 N ATOM 1675 CA LYS A 111 10.782 0.591 3.850 1.00 0.00 C ATOM 1676 C LYS A 111 9.290 0.848 3.631 1.00 0.00 C ATOM 1677 O LYS A 111 8.481 0.638 4.534 1.00 0.00 O ATOM 1678 CB LYS A 111 11.535 1.792 4.428 1.00 0.00 C ATOM 1679 CG LYS A 111 11.452 2.996 3.488 1.00 0.00 C ATOM 1680 CD LYS A 111 12.529 4.029 3.824 1.00 0.00 C ATOM 1681 CE LYS A 111 11.920 5.424 3.982 1.00 0.00 C ATOM 1682 NZ LYS A 111 12.818 6.295 4.773 1.00 0.00 N ATOM 0 H LYS A 111 12.183 0.729 2.297 1.00 0.00 H new ATOM 0 HA LYS A 111 10.864 -0.197 4.598 1.00 0.00 H new ATOM 0 HB2 LYS A 111 11.116 2.055 5.399 1.00 0.00 H new ATOM 0 HB3 LYS A 111 12.579 1.526 4.593 1.00 0.00 H new ATOM 0 HG2 LYS A 111 11.570 2.665 2.456 1.00 0.00 H new ATOM 0 HG3 LYS A 111 10.466 3.455 3.565 1.00 0.00 H new ATOM 0 HD2 LYS A 111 13.037 3.744 4.745 1.00 0.00 H new ATOM 0 HD3 LYS A 111 13.282 4.044 3.036 1.00 0.00 H new ATOM 0 HE2 LYS A 111 11.748 5.865 3.000 1.00 0.00 H new ATOM 0 HE3 LYS A 111 10.950 5.350 4.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 12.390 7.238 4.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 12.962 5.881 5.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 13.735 6.380 4.289 1.00 0.00 H new ATOM 1696 N HIS A 112 8.970 1.300 2.427 1.00 0.00 N ATOM 1697 CA HIS A 112 7.589 1.587 2.078 1.00 0.00 C ATOM 1698 C HIS A 112 6.822 0.276 1.897 1.00 0.00 C ATOM 1699 O HIS A 112 5.664 0.169 2.299 1.00 0.00 O ATOM 1700 CB HIS A 112 7.517 2.492 0.847 1.00 0.00 C ATOM 1701 CG HIS A 112 8.311 3.770 0.976 1.00 0.00 C ATOM 1702 ND1 HIS A 112 8.947 4.369 -0.097 1.00 0.00 N ATOM 1703 CD2 HIS A 112 8.564 4.556 2.061 1.00 0.00 C ATOM 1704 CE1 HIS A 112 9.553 5.465 0.335 1.00 0.00 C ATOM 1705 NE2 HIS A 112 9.315 5.579 1.673 1.00 0.00 N ATOM 0 H HIS A 112 9.644 1.474 1.681 1.00 0.00 H new ATOM 0 HA HIS A 112 7.112 2.137 2.889 1.00 0.00 H new ATOM 0 HB2 HIS A 112 7.878 1.938 -0.020 1.00 0.00 H new ATOM 0 HB3 HIS A 112 6.474 2.742 0.654 1.00 0.00 H new ATOM 0 HD1 HIS A 112 8.949 4.025 -1.057 1.00 0.00 H new ATOM 0 HD2 HIS A 112 8.213 4.376 3.066 1.00 0.00 H new ATOM 0 HE1 HIS A 112 10.134 6.148 -0.267 1.00 0.00 H new ATOM 1713 N GLN A 113 7.498 -0.689 1.291 1.00 0.00 N ATOM 1714 CA GLN A 113 6.894 -1.988 1.051 1.00 0.00 C ATOM 1715 C GLN A 113 6.658 -2.717 2.376 1.00 0.00 C ATOM 1716 O GLN A 113 7.571 -2.839 3.192 1.00 0.00 O ATOM 1717 CB GLN A 113 7.758 -2.829 0.109 1.00 0.00 C ATOM 1718 CG GLN A 113 7.781 -2.228 -1.297 1.00 0.00 C ATOM 1719 CD GLN A 113 8.901 -2.843 -2.139 1.00 0.00 C ATOM 1720 OE1 GLN A 113 9.587 -3.764 -1.727 1.00 0.00 O ATOM 1721 NE2 GLN A 113 9.048 -2.283 -3.336 1.00 0.00 N ATOM 0 H GLN A 113 8.458 -0.597 0.959 1.00 0.00 H new ATOM 0 HA GLN A 113 5.930 -1.834 0.566 1.00 0.00 H new ATOM 0 HB2 GLN A 113 8.774 -2.890 0.499 1.00 0.00 H new ATOM 0 HB3 GLN A 113 7.371 -3.847 0.067 1.00 0.00 H new ATOM 0 HG2 GLN A 113 6.821 -2.397 -1.784 1.00 0.00 H new ATOM 0 HG3 GLN A 113 7.920 -1.149 -1.233 1.00 0.00 H new ATOM 0 HE21 GLN A 113 8.439 -1.515 -3.618 1.00 0.00 H new ATOM 0 HE22 GLN A 113 9.770 -2.622 -3.972 1.00 0.00 H new ATOM 1730 N LEU A 114 5.429 -3.181 2.549 1.00 0.00 N ATOM 1731 CA LEU A 114 5.063 -3.894 3.761 1.00 0.00 C ATOM 1732 C LEU A 114 6.200 -4.838 4.156 1.00 0.00 C ATOM 1733 O LEU A 114 6.881 -4.612 5.155 1.00 0.00 O ATOM 1734 CB LEU A 114 3.714 -4.595 3.582 1.00 0.00 C ATOM 1735 CG LEU A 114 2.523 -3.688 3.269 1.00 0.00 C ATOM 1736 CD1 LEU A 114 2.623 -2.367 4.034 1.00 0.00 C ATOM 1737 CD2 LEU A 114 2.382 -3.468 1.762 1.00 0.00 C ATOM 0 H LEU A 114 4.675 -3.077 1.870 1.00 0.00 H new ATOM 0 HA LEU A 114 4.927 -3.197 4.588 1.00 0.00 H new ATOM 0 HB2 LEU A 114 3.810 -5.325 2.778 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.492 -5.151 4.493 1.00 0.00 H new ATOM 0 HG LEU A 114 1.616 -4.188 3.608 1.00 0.00 H new ATOM 0 HD11 LEU A 114 1.764 -1.741 3.793 1.00 0.00 H new ATOM 0 HD12 LEU A 114 2.637 -2.567 5.105 1.00 0.00 H new ATOM 0 HD13 LEU A 114 3.539 -1.850 3.749 1.00 0.00 H new ATOM 0 HD21 LEU A 114 1.528 -2.820 1.567 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.288 -3.000 1.376 1.00 0.00 H new ATOM 0 HD23 LEU A 114 2.230 -4.427 1.267 1.00 0.00 H new