USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 589 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 25 ASN : amide:sc= -0.139 K(o=0.21,f=-6!) USER MOD Set 1.2: A 29 LYS NZ :NH3+ 135:sc= 0.345 (180deg=0) USER MOD Set 2.1: A 7 THR OG1 : rot 114:sc= -0.612 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.0955 USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.0018) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00533) USER MOD Single : A 12 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 14 THR OG1 : rot -48:sc= 1.13 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -138:sc= -2.07 (180deg=-7.9!) USER MOD Single : A 31 GLN :FLIP amide:sc= -1.7 F(o=-2.4,f=-1.7) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0506 K(o=-0.051,f=-1.5!) USER MOD Single : A 41 GLN : amide:sc= -5.07 K(o=-5.1,f=-10!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.294 X(o=-0.29,f=-0.29) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0584 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -50:sc= -2.62 USER MOD Single : A 60 ASN : amide:sc= -0.0558 K(o=-0.056,f=-2!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 118:sc= -0.613! USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0756 X(o=-0.076,f=0) USER MOD ----------------------------------------------------------------- ATOM 326 N GLN A 2 -2.968 -8.462 6.936 1.00 0.00 N ATOM 327 CA GLN A 2 -1.698 -7.765 7.101 1.00 0.00 C ATOM 328 C GLN A 2 -1.293 -7.062 5.809 1.00 0.00 C ATOM 329 O GLN A 2 -0.521 -7.601 5.018 1.00 0.00 O ATOM 330 CB GLN A 2 -0.604 -8.748 7.521 1.00 0.00 C ATOM 331 CG GLN A 2 -0.854 -9.397 8.871 1.00 0.00 C ATOM 332 CD GLN A 2 -0.515 -10.875 8.880 1.00 0.00 C ATOM 333 OE1 GLN A 2 0.555 -11.281 8.430 1.00 0.00 O ATOM 334 NE2 GLN A 2 -1.430 -11.689 9.395 1.00 0.00 N ATOM 0 HA GLN A 2 -1.823 -7.014 7.881 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -0.517 -9.527 6.764 1.00 0.00 H new ATOM 0 HB3 GLN A 2 0.351 -8.224 7.551 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -0.261 -8.887 9.630 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -1.901 -9.267 9.144 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -2.304 -11.309 9.757 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -1.258 -12.694 9.428 1.00 0.00 H new ATOM 343 N ILE A 3 -1.816 -5.858 5.602 1.00 0.00 N ATOM 344 CA ILE A 3 -1.501 -5.090 4.403 1.00 0.00 C ATOM 345 C ILE A 3 -0.223 -4.283 4.596 1.00 0.00 C ATOM 346 O ILE A 3 0.031 -3.758 5.680 1.00 0.00 O ATOM 347 CB ILE A 3 -2.649 -4.135 4.025 1.00 0.00 C ATOM 348 CG1 ILE A 3 -2.958 -3.185 5.182 1.00 0.00 C ATOM 349 CG2 ILE A 3 -3.890 -4.926 3.636 1.00 0.00 C ATOM 350 CD1 ILE A 3 -3.384 -1.808 4.737 1.00 0.00 C ATOM 0 H ILE A 3 -2.457 -5.395 6.246 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.360 -5.807 3.594 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.336 -3.540 3.167 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.747 -3.619 5.796 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.074 -3.096 5.814 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.692 -4.237 3.372 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.662 -5.563 2.781 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.205 -5.545 4.476 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.586 -1.189 5.611 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.588 -1.354 4.148 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.286 -1.885 4.130 1.00 0.00 H new ATOM 362 N PHE A 4 0.582 -4.190 3.543 1.00 0.00 N ATOM 363 CA PHE A 4 1.833 -3.448 3.611 1.00 0.00 C ATOM 364 C PHE A 4 1.685 -2.063 2.993 1.00 0.00 C ATOM 365 O PHE A 4 1.606 -1.919 1.774 1.00 0.00 O ATOM 366 CB PHE A 4 2.956 -4.228 2.921 1.00 0.00 C ATOM 367 CG PHE A 4 3.985 -4.741 3.886 1.00 0.00 C ATOM 368 CD1 PHE A 4 4.594 -3.876 4.776 1.00 0.00 C ATOM 369 CD2 PHE A 4 4.332 -6.081 3.915 1.00 0.00 C ATOM 370 CE1 PHE A 4 5.531 -4.333 5.682 1.00 0.00 C ATOM 371 CE2 PHE A 4 5.267 -6.548 4.818 1.00 0.00 C ATOM 372 CZ PHE A 4 5.868 -5.672 5.705 1.00 0.00 C ATOM 0 H PHE A 4 0.391 -4.617 2.637 1.00 0.00 H new ATOM 0 HA PHE A 4 2.093 -3.320 4.662 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.526 -5.068 2.374 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.441 -3.585 2.187 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.333 -2.828 4.763 1.00 0.00 H new ATOM 0 HD2 PHE A 4 3.867 -6.768 3.224 1.00 0.00 H new ATOM 0 HE1 PHE A 4 5.999 -3.645 6.371 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.529 -7.596 4.832 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.598 -6.035 6.413 1.00 0.00 H new ATOM 382 N VAL A 5 1.649 -1.046 3.847 1.00 0.00 N ATOM 383 CA VAL A 5 1.513 0.330 3.391 1.00 0.00 C ATOM 384 C VAL A 5 2.858 0.890 2.940 1.00 0.00 C ATOM 385 O VAL A 5 3.719 1.201 3.766 1.00 0.00 O ATOM 386 CB VAL A 5 0.936 1.236 4.495 1.00 0.00 C ATOM 387 CG1 VAL A 5 0.630 2.621 3.945 1.00 0.00 C ATOM 388 CG2 VAL A 5 -0.310 0.610 5.104 1.00 0.00 C ATOM 0 H VAL A 5 1.712 -1.150 4.860 1.00 0.00 H new ATOM 0 HA VAL A 5 0.823 0.318 2.547 1.00 0.00 H new ATOM 0 HB VAL A 5 1.684 1.339 5.281 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.223 3.246 4.740 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.546 3.071 3.562 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.099 2.539 3.139 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.703 1.265 5.882 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.064 0.473 4.329 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.056 -0.357 5.538 1.00 0.00 H new ATOM 398 N LYS A 6 3.031 1.012 1.628 1.00 0.00 N ATOM 399 CA LYS A 6 4.271 1.532 1.062 1.00 0.00 C ATOM 400 C LYS A 6 4.151 3.024 0.770 1.00 0.00 C ATOM 401 O LYS A 6 3.262 3.452 0.033 1.00 0.00 O ATOM 402 CB LYS A 6 4.626 0.777 -0.219 1.00 0.00 C ATOM 403 CG LYS A 6 6.095 0.875 -0.596 1.00 0.00 C ATOM 404 CD LYS A 6 6.289 0.808 -2.102 1.00 0.00 C ATOM 405 CE LYS A 6 7.396 1.744 -2.563 1.00 0.00 C ATOM 406 NZ LYS A 6 7.146 2.268 -3.933 1.00 0.00 N1+ ATOM 0 H LYS A 6 2.327 0.757 0.935 1.00 0.00 H new ATOM 0 HA LYS A 6 5.066 1.386 1.794 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.360 -0.273 -0.097 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.022 1.166 -1.039 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.508 1.810 -0.216 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.649 0.065 -0.120 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.530 -0.214 -2.394 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.357 1.071 -2.602 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.480 2.577 -1.866 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.349 1.215 -2.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.923 2.902 -4.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.091 1.475 -4.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.249 2.794 -3.945 1.00 0.00 H new ATOM 420 N THR A 7 5.050 3.811 1.351 1.00 0.00 N ATOM 421 CA THR A 7 5.043 5.255 1.149 1.00 0.00 C ATOM 422 C THR A 7 5.859 5.639 -0.082 1.00 0.00 C ATOM 423 O THR A 7 6.478 4.786 -0.717 1.00 0.00 O ATOM 424 CB THR A 7 5.598 5.967 2.385 1.00 0.00 C ATOM 425 OG1 THR A 7 6.995 5.759 2.497 1.00 0.00 O ATOM 426 CG2 THR A 7 4.961 5.505 3.677 1.00 0.00 C ATOM 0 H THR A 7 5.792 3.474 1.965 1.00 0.00 H new ATOM 0 HA THR A 7 4.011 5.568 0.990 1.00 0.00 H new ATOM 0 HB THR A 7 5.365 7.022 2.241 1.00 0.00 H new ATOM 0 HG1 THR A 7 7.464 6.611 2.372 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.399 6.049 4.514 1.00 0.00 H new ATOM 0 HG22 THR A 7 3.888 5.696 3.642 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.136 4.437 3.807 1.00 0.00 H new ATOM 434 N LEU A 8 5.852 6.926 -0.413 1.00 0.00 N ATOM 435 CA LEU A 8 6.591 7.421 -1.569 1.00 0.00 C ATOM 436 C LEU A 8 8.081 7.125 -1.432 1.00 0.00 C ATOM 437 O LEU A 8 8.700 6.573 -2.341 1.00 0.00 O ATOM 438 CB LEU A 8 6.371 8.925 -1.735 1.00 0.00 C ATOM 439 CG LEU A 8 5.148 9.311 -2.570 1.00 0.00 C ATOM 440 CD1 LEU A 8 4.392 10.461 -1.930 1.00 0.00 C ATOM 441 CD2 LEU A 8 5.563 9.698 -3.975 1.00 0.00 C ATOM 0 H LEU A 8 5.343 7.645 0.102 1.00 0.00 H new ATOM 0 HA LEU A 8 6.218 6.906 -2.454 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.274 9.374 -0.747 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.259 9.358 -2.196 1.00 0.00 H new ATOM 0 HG LEU A 8 4.491 8.442 -2.616 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.528 10.715 -2.544 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.057 10.167 -0.935 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.048 11.328 -1.850 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.680 9.969 -4.554 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.244 10.548 -3.932 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.064 8.855 -4.451 1.00 0.00 H new ATOM 453 N THR A 9 8.651 7.496 -0.289 1.00 0.00 N ATOM 454 CA THR A 9 10.068 7.270 -0.033 1.00 0.00 C ATOM 455 C THR A 9 10.414 5.788 -0.144 1.00 0.00 C ATOM 456 O THR A 9 11.544 5.427 -0.476 1.00 0.00 O ATOM 457 CB THR A 9 10.448 7.791 1.354 1.00 0.00 C ATOM 458 OG1 THR A 9 9.597 7.245 2.346 1.00 0.00 O ATOM 459 CG2 THR A 9 10.379 9.299 1.467 1.00 0.00 C ATOM 0 H THR A 9 8.153 7.954 0.474 1.00 0.00 H new ATOM 0 HA THR A 9 10.637 7.814 -0.787 1.00 0.00 H new ATOM 0 HB THR A 9 11.481 7.479 1.506 1.00 0.00 H new ATOM 0 HG1 THR A 9 9.857 7.589 3.226 1.00 0.00 H new ATOM 0 HG21 THR A 9 10.661 9.602 2.476 1.00 0.00 H new ATOM 0 HG22 THR A 9 11.064 9.749 0.749 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.363 9.633 1.258 1.00 0.00 H new ATOM 467 N GLY A 10 9.434 4.933 0.133 1.00 0.00 N ATOM 468 CA GLY A 10 9.656 3.501 0.057 1.00 0.00 C ATOM 469 C GLY A 10 9.549 2.825 1.410 1.00 0.00 C ATOM 470 O GLY A 10 10.348 1.946 1.735 1.00 0.00 O ATOM 0 H GLY A 10 8.491 5.207 0.409 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.929 3.059 -0.625 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.644 3.311 -0.363 1.00 0.00 H new ATOM 474 N LYS A 11 8.563 3.235 2.199 1.00 0.00 N ATOM 475 CA LYS A 11 8.357 2.662 3.525 1.00 0.00 C ATOM 476 C LYS A 11 7.146 1.735 3.536 1.00 0.00 C ATOM 477 O LYS A 11 6.004 2.189 3.618 1.00 0.00 O ATOM 478 CB LYS A 11 8.177 3.772 4.563 1.00 0.00 C ATOM 479 CG LYS A 11 7.861 3.254 5.960 1.00 0.00 C ATOM 480 CD LYS A 11 8.964 3.577 6.948 1.00 0.00 C ATOM 481 CE LYS A 11 9.596 2.317 7.518 1.00 0.00 C ATOM 482 NZ LYS A 11 10.451 1.623 6.516 1.00 0.00 N1+ ATOM 0 H LYS A 11 7.894 3.961 1.945 1.00 0.00 H new ATOM 0 HA LYS A 11 9.240 2.077 3.781 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.087 4.371 4.604 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.374 4.434 4.240 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.925 3.692 6.306 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.713 2.175 5.922 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.729 4.177 6.456 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.559 4.181 7.760 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.196 2.575 8.391 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.813 1.640 7.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.890 0.788 6.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.867 1.324 5.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.194 2.271 6.185 1.00 0.00 H new ATOM 496 N THR A 12 7.405 0.435 3.460 1.00 0.00 N ATOM 497 CA THR A 12 6.342 -0.563 3.469 1.00 0.00 C ATOM 498 C THR A 12 6.205 -1.185 4.854 1.00 0.00 C ATOM 499 O THR A 12 7.048 -1.978 5.271 1.00 0.00 O ATOM 500 CB THR A 12 6.627 -1.653 2.433 1.00 0.00 C ATOM 501 OG1 THR A 12 7.563 -1.198 1.471 1.00 0.00 O ATOM 502 CG2 THR A 12 5.392 -2.109 1.688 1.00 0.00 C ATOM 0 H THR A 12 8.345 0.046 3.391 1.00 0.00 H new ATOM 0 HA THR A 12 5.405 -0.068 3.213 1.00 0.00 H new ATOM 0 HB THR A 12 7.021 -2.495 3.002 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.733 -1.909 0.819 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.665 -2.882 0.970 1.00 0.00 H new ATOM 0 HG22 THR A 12 4.668 -2.511 2.396 1.00 0.00 H new ATOM 0 HG23 THR A 12 4.952 -1.263 1.161 1.00 0.00 H new ATOM 510 N ILE A 13 5.146 -0.814 5.571 1.00 0.00 N ATOM 511 CA ILE A 13 4.924 -1.340 6.913 1.00 0.00 C ATOM 512 C ILE A 13 3.709 -2.260 6.978 1.00 0.00 C ATOM 513 O ILE A 13 2.674 -1.988 6.369 1.00 0.00 O ATOM 514 CB ILE A 13 4.737 -0.212 7.943 1.00 0.00 C ATOM 515 CG1 ILE A 13 5.991 0.636 8.041 1.00 0.00 C ATOM 516 CG2 ILE A 13 4.410 -0.795 9.294 1.00 0.00 C ATOM 517 CD1 ILE A 13 7.196 -0.151 8.460 1.00 0.00 C ATOM 0 H ILE A 13 4.435 -0.158 5.248 1.00 0.00 H new ATOM 0 HA ILE A 13 5.819 -1.913 7.156 1.00 0.00 H new ATOM 0 HB ILE A 13 3.912 0.420 7.614 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.185 1.101 7.075 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.823 1.442 8.755 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.280 0.011 10.016 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.489 -1.375 9.227 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.224 -1.443 9.617 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.062 0.509 8.512 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.018 -0.595 9.440 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.386 -0.941 7.733 1.00 0.00 H new ATOM 529 N THR A 14 3.843 -3.346 7.735 1.00 0.00 N ATOM 530 CA THR A 14 2.758 -4.304 7.899 1.00 0.00 C ATOM 531 C THR A 14 1.707 -3.747 8.848 1.00 0.00 C ATOM 532 O THR A 14 1.953 -3.596 10.045 1.00 0.00 O ATOM 533 CB THR A 14 3.291 -5.634 8.436 1.00 0.00 C ATOM 534 OG1 THR A 14 4.670 -5.778 8.146 1.00 0.00 O ATOM 535 CG2 THR A 14 2.572 -6.839 7.866 1.00 0.00 C ATOM 0 H THR A 14 4.694 -3.583 8.244 1.00 0.00 H new ATOM 0 HA THR A 14 2.303 -4.479 6.924 1.00 0.00 H new ATOM 0 HB THR A 14 3.117 -5.602 9.512 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.829 -5.569 7.202 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.998 -7.750 8.287 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.513 -6.783 8.118 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.687 -6.852 6.782 1.00 0.00 H new ATOM 543 N LEU A 15 0.541 -3.431 8.305 1.00 0.00 N ATOM 544 CA LEU A 15 -0.543 -2.876 9.101 1.00 0.00 C ATOM 545 C LEU A 15 -1.819 -3.698 8.934 1.00 0.00 C ATOM 546 O LEU A 15 -2.218 -4.031 7.817 1.00 0.00 O ATOM 547 CB LEU A 15 -0.781 -1.419 8.698 1.00 0.00 C ATOM 548 CG LEU A 15 -1.466 -0.552 9.754 1.00 0.00 C ATOM 549 CD1 LEU A 15 -2.794 -1.165 10.163 1.00 0.00 C ATOM 550 CD2 LEU A 15 -0.563 -0.373 10.965 1.00 0.00 C ATOM 0 H LEU A 15 0.321 -3.549 7.316 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.261 -2.913 10.153 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.179 -0.967 8.448 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.386 -1.404 7.792 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.659 0.430 9.323 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.269 -0.535 10.915 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.444 -1.241 9.291 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.624 -2.159 10.576 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.067 0.247 11.706 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.339 -1.347 11.399 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.365 0.110 10.659 1.00 0.00 H new ATOM 562 N GLU A 16 -2.446 -4.028 10.060 1.00 0.00 N ATOM 563 CA GLU A 16 -3.670 -4.818 10.053 1.00 0.00 C ATOM 564 C GLU A 16 -4.901 -3.922 9.959 1.00 0.00 C ATOM 565 O GLU A 16 -5.044 -2.964 10.717 1.00 0.00 O ATOM 566 CB GLU A 16 -3.744 -5.677 11.317 1.00 0.00 C ATOM 567 CG GLU A 16 -3.519 -7.152 11.064 1.00 0.00 C ATOM 568 CD GLU A 16 -2.058 -7.490 10.840 1.00 0.00 C ATOM 569 OE1 GLU A 16 -1.379 -6.733 10.114 1.00 0.00 O1- ATOM 570 OE2 GLU A 16 -1.593 -8.510 11.390 1.00 0.00 O ATOM 0 H GLU A 16 -2.124 -3.759 10.990 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.653 -5.466 9.176 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.000 -5.322 12.031 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.721 -5.542 11.781 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.894 -7.724 11.913 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.097 -7.459 10.192 1.00 0.00 H new ATOM 577 N VAL A 17 -5.788 -4.247 9.026 1.00 0.00 N ATOM 578 CA VAL A 17 -7.012 -3.478 8.832 1.00 0.00 C ATOM 579 C VAL A 17 -8.104 -4.341 8.209 1.00 0.00 C ATOM 580 O VAL A 17 -7.949 -4.854 7.102 1.00 0.00 O ATOM 581 CB VAL A 17 -6.771 -2.250 7.936 1.00 0.00 C ATOM 582 CG1 VAL A 17 -6.034 -1.165 8.704 1.00 0.00 C ATOM 583 CG2 VAL A 17 -6.001 -2.645 6.686 1.00 0.00 C ATOM 0 H VAL A 17 -5.683 -5.038 8.391 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.333 -3.139 9.817 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.738 -1.852 7.629 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.873 -0.305 8.054 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.628 -0.862 9.566 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.072 -1.549 9.043 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.840 -1.764 6.064 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.038 -3.069 6.971 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.572 -3.385 6.125 1.00 0.00 H new ATOM 593 N GLU A 18 -9.210 -4.498 8.929 1.00 0.00 N ATOM 594 CA GLU A 18 -10.328 -5.301 8.449 1.00 0.00 C ATOM 595 C GLU A 18 -10.880 -4.737 7.140 1.00 0.00 C ATOM 596 O GLU A 18 -10.984 -3.521 6.976 1.00 0.00 O ATOM 597 CB GLU A 18 -11.436 -5.353 9.501 1.00 0.00 C ATOM 598 CG GLU A 18 -10.949 -5.774 10.878 1.00 0.00 C ATOM 599 CD GLU A 18 -10.233 -7.111 10.859 1.00 0.00 C ATOM 600 OE1 GLU A 18 -10.647 -7.996 10.081 1.00 0.00 O ATOM 601 OE2 GLU A 18 -9.257 -7.272 11.623 1.00 0.00 O1- ATOM 0 H GLU A 18 -9.356 -4.079 9.848 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.964 -6.312 8.265 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.902 -4.370 9.574 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.208 -6.048 9.170 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.276 -5.011 11.271 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.799 -5.831 11.558 1.00 0.00 H new ATOM 608 N PRO A 19 -11.241 -5.613 6.185 1.00 0.00 N ATOM 609 CA PRO A 19 -11.784 -5.186 4.891 1.00 0.00 C ATOM 610 C PRO A 19 -13.015 -4.299 5.044 1.00 0.00 C ATOM 611 O PRO A 19 -13.306 -3.469 4.182 1.00 0.00 O ATOM 612 CB PRO A 19 -12.160 -6.502 4.201 1.00 0.00 C ATOM 613 CG PRO A 19 -11.325 -7.538 4.868 1.00 0.00 C ATOM 614 CD PRO A 19 -11.154 -7.081 6.289 1.00 0.00 C ATOM 0 HA PRO A 19 -11.066 -4.588 4.330 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.222 -6.718 4.315 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.956 -6.459 3.131 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -11.808 -8.514 4.828 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.360 -7.640 4.372 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -11.931 -7.485 6.938 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.197 -7.399 6.702 1.00 0.00 H new ATOM 622 N SER A 20 -13.736 -4.479 6.146 1.00 0.00 N ATOM 623 CA SER A 20 -14.937 -3.696 6.411 1.00 0.00 C ATOM 624 C SER A 20 -14.626 -2.509 7.319 1.00 0.00 C ATOM 625 O SER A 20 -15.413 -2.170 8.205 1.00 0.00 O ATOM 626 CB SER A 20 -16.013 -4.575 7.051 1.00 0.00 C ATOM 627 OG SER A 20 -16.603 -5.437 6.093 1.00 0.00 O ATOM 0 H SER A 20 -13.509 -5.161 6.870 1.00 0.00 H new ATOM 0 HA SER A 20 -15.308 -3.314 5.460 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.574 -5.166 7.855 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.781 -3.946 7.501 1.00 0.00 H new ATOM 0 HG SER A 20 -17.286 -5.990 6.527 1.00 0.00 H new ATOM 633 N ASP A 21 -13.478 -1.880 7.094 1.00 0.00 N ATOM 634 CA ASP A 21 -13.065 -0.731 7.891 1.00 0.00 C ATOM 635 C ASP A 21 -12.699 0.447 6.994 1.00 0.00 C ATOM 636 O ASP A 21 -11.980 0.288 6.007 1.00 0.00 O ATOM 637 CB ASP A 21 -11.878 -1.099 8.782 1.00 0.00 C ATOM 638 CG ASP A 21 -12.286 -1.938 9.977 1.00 0.00 C ATOM 639 OD1 ASP A 21 -13.503 -2.062 10.228 1.00 0.00 O ATOM 640 OD2 ASP A 21 -11.389 -2.471 10.663 1.00 0.00 O1- ATOM 0 H ASP A 21 -12.816 -2.147 6.365 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.904 -0.438 8.523 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.142 -1.646 8.193 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -11.394 -0.187 9.131 1.00 0.00 H new ATOM 645 N THR A 22 -13.196 1.628 7.344 1.00 0.00 N ATOM 646 CA THR A 22 -12.920 2.833 6.570 1.00 0.00 C ATOM 647 C THR A 22 -11.434 3.174 6.610 1.00 0.00 C ATOM 648 O THR A 22 -10.669 2.576 7.365 1.00 0.00 O ATOM 649 CB THR A 22 -13.740 4.007 7.105 1.00 0.00 C ATOM 650 OG1 THR A 22 -13.395 4.288 8.450 1.00 0.00 O ATOM 651 CG2 THR A 22 -15.233 3.767 7.054 1.00 0.00 C ATOM 0 H THR A 22 -13.792 1.777 8.158 1.00 0.00 H new ATOM 0 HA THR A 22 -13.204 2.644 5.535 1.00 0.00 H new ATOM 0 HB THR A 22 -13.501 4.847 6.453 1.00 0.00 H new ATOM 0 HG1 THR A 22 -13.929 5.043 8.774 1.00 0.00 H new ATOM 0 HG21 THR A 22 -15.755 4.639 7.448 1.00 0.00 H new ATOM 0 HG22 THR A 22 -15.539 3.597 6.022 1.00 0.00 H new ATOM 0 HG23 THR A 22 -15.482 2.892 7.655 1.00 0.00 H new ATOM 659 N ILE A 23 -11.032 4.142 5.791 1.00 0.00 N ATOM 660 CA ILE A 23 -9.637 4.563 5.735 1.00 0.00 C ATOM 661 C ILE A 23 -9.191 5.159 7.066 1.00 0.00 C ATOM 662 O ILE A 23 -8.024 5.056 7.444 1.00 0.00 O ATOM 663 CB ILE A 23 -9.406 5.597 4.616 1.00 0.00 C ATOM 664 CG1 ILE A 23 -9.962 5.079 3.288 1.00 0.00 C ATOM 665 CG2 ILE A 23 -7.924 5.919 4.485 1.00 0.00 C ATOM 666 CD1 ILE A 23 -9.372 3.751 2.862 1.00 0.00 C ATOM 0 H ILE A 23 -11.652 4.648 5.159 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.045 3.673 5.522 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.935 6.514 4.878 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.044 4.977 3.372 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.771 5.818 2.510 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.780 6.651 3.690 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.556 6.328 5.426 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.374 5.009 4.245 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.812 3.445 1.913 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.293 3.853 2.746 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.586 2.998 3.620 1.00 0.00 H new ATOM 678 N GLU A 24 -10.127 5.785 7.772 1.00 0.00 N ATOM 679 CA GLU A 24 -9.830 6.400 9.060 1.00 0.00 C ATOM 680 C GLU A 24 -9.288 5.372 10.048 1.00 0.00 C ATOM 681 O GLU A 24 -8.353 5.653 10.795 1.00 0.00 O ATOM 682 CB GLU A 24 -11.081 7.066 9.633 1.00 0.00 C ATOM 683 CG GLU A 24 -10.780 8.252 10.536 1.00 0.00 C ATOM 684 CD GLU A 24 -11.877 9.298 10.508 1.00 0.00 C ATOM 685 OE1 GLU A 24 -13.020 8.972 10.889 1.00 0.00 O1- ATOM 686 OE2 GLU A 24 -11.592 10.446 10.103 1.00 0.00 O ATOM 0 H GLU A 24 -11.098 5.880 7.474 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.064 7.159 8.900 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.715 7.398 8.811 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.651 6.327 10.196 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.644 7.900 11.559 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.839 8.709 10.229 1.00 0.00 H new ATOM 693 N ASN A 25 -9.875 4.178 10.046 1.00 0.00 N ATOM 694 CA ASN A 25 -9.442 3.111 10.942 1.00 0.00 C ATOM 695 C ASN A 25 -8.015 2.683 10.610 1.00 0.00 C ATOM 696 O ASN A 25 -7.252 2.272 11.488 1.00 0.00 O ATOM 697 CB ASN A 25 -10.386 1.912 10.838 1.00 0.00 C ATOM 698 CG ASN A 25 -10.011 0.794 11.792 1.00 0.00 C ATOM 699 OD1 ASN A 25 -9.276 -0.125 11.431 1.00 0.00 O ATOM 700 ND2 ASN A 25 -10.517 0.868 13.018 1.00 0.00 N ATOM 0 H ASN A 25 -10.651 3.926 9.434 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.466 3.489 11.964 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.405 2.237 11.047 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.375 1.533 9.816 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -10.300 0.145 13.704 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.122 1.648 13.274 1.00 0.00 H new ATOM 707 N VAL A 26 -7.662 2.793 9.338 1.00 0.00 N ATOM 708 CA VAL A 26 -6.328 2.432 8.876 1.00 0.00 C ATOM 709 C VAL A 26 -5.342 3.521 9.246 1.00 0.00 C ATOM 710 O VAL A 26 -4.379 3.277 9.973 1.00 0.00 O ATOM 711 CB VAL A 26 -6.313 2.201 7.356 1.00 0.00 C ATOM 712 CG1 VAL A 26 -5.103 1.374 6.947 1.00 0.00 C ATOM 713 CG2 VAL A 26 -7.606 1.526 6.929 1.00 0.00 C ATOM 0 H VAL A 26 -8.284 3.131 8.603 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.037 1.501 9.363 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.238 3.164 6.851 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.113 1.223 5.868 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.191 1.899 7.231 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.137 0.407 7.449 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.593 1.363 5.851 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.702 0.568 7.439 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.452 2.162 7.190 1.00 0.00 H new ATOM 723 N LYS A 27 -5.612 4.743 8.790 1.00 0.00 N ATOM 724 CA LYS A 27 -4.763 5.873 9.138 1.00 0.00 C ATOM 725 C LYS A 27 -4.694 5.974 10.655 1.00 0.00 C ATOM 726 O LYS A 27 -3.735 6.494 11.222 1.00 0.00 O ATOM 727 CB LYS A 27 -5.316 7.171 8.542 1.00 0.00 C ATOM 728 CG LYS A 27 -5.273 7.214 7.023 1.00 0.00 C ATOM 729 CD LYS A 27 -3.944 6.704 6.488 1.00 0.00 C ATOM 730 CE LYS A 27 -3.859 6.843 4.977 1.00 0.00 C ATOM 731 NZ LYS A 27 -3.533 8.236 4.563 1.00 0.00 N1+ ATOM 0 H LYS A 27 -6.402 4.971 8.187 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.764 5.720 8.729 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.347 7.301 8.871 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.747 8.013 8.937 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.085 6.610 6.618 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.435 8.237 6.682 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.128 7.258 6.951 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.817 5.658 6.765 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.099 6.163 4.592 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.808 6.545 4.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.117 8.501 3.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.726 8.887 5.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.527 8.295 4.304 1.00 0.00 H new ATOM 745 N ALA A 28 -5.727 5.432 11.297 1.00 0.00 N ATOM 746 CA ALA A 28 -5.823 5.402 12.741 1.00 0.00 C ATOM 747 C ALA A 28 -4.703 4.548 13.318 1.00 0.00 C ATOM 748 O ALA A 28 -3.847 5.036 14.057 1.00 0.00 O ATOM 749 CB ALA A 28 -7.179 4.839 13.137 1.00 0.00 C ATOM 0 H ALA A 28 -6.520 5.002 10.821 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.724 6.412 13.138 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.259 4.813 14.224 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -7.968 5.471 12.730 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.283 3.829 12.741 1.00 0.00 H new ATOM 755 N LYS A 29 -4.707 3.268 12.956 1.00 0.00 N ATOM 756 CA LYS A 29 -3.682 2.343 13.419 1.00 0.00 C ATOM 757 C LYS A 29 -2.306 2.820 12.969 1.00 0.00 C ATOM 758 O LYS A 29 -1.346 2.801 13.740 1.00 0.00 O ATOM 759 CB LYS A 29 -3.951 0.936 12.881 1.00 0.00 C ATOM 760 CG LYS A 29 -5.275 0.350 13.345 1.00 0.00 C ATOM 761 CD LYS A 29 -5.380 -1.128 13.008 1.00 0.00 C ATOM 762 CE LYS A 29 -6.768 -1.489 12.506 1.00 0.00 C ATOM 763 NZ LYS A 29 -7.787 -1.415 13.588 1.00 0.00 N1+ ATOM 0 H LYS A 29 -5.408 2.850 12.344 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.708 2.311 14.508 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.937 0.964 11.791 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.142 0.276 13.193 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.377 0.487 14.422 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.097 0.890 12.876 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.640 -1.382 12.249 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.146 -1.721 13.892 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.048 -0.814 11.697 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.753 -2.496 12.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.633 -0.924 13.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.045 -2.377 13.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.396 -0.893 14.398 1.00 0.00 H new ATOM 777 N ILE A 30 -2.224 3.264 11.717 1.00 0.00 N ATOM 778 CA ILE A 30 -0.972 3.765 11.166 1.00 0.00 C ATOM 779 C ILE A 30 -0.517 5.006 11.927 1.00 0.00 C ATOM 780 O ILE A 30 0.678 5.282 12.030 1.00 0.00 O ATOM 781 CB ILE A 30 -1.108 4.105 9.666 1.00 0.00 C ATOM 782 CG1 ILE A 30 -1.539 2.867 8.877 1.00 0.00 C ATOM 783 CG2 ILE A 30 0.203 4.654 9.118 1.00 0.00 C ATOM 784 CD1 ILE A 30 -1.885 3.159 7.433 1.00 0.00 C ATOM 0 H ILE A 30 -3.010 3.286 11.067 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.229 2.975 11.274 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.874 4.873 9.556 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.737 2.129 8.908 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.404 2.418 9.365 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.086 4.887 8.060 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.474 5.559 9.661 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.989 3.909 9.240 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.181 2.235 6.936 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.708 3.873 7.393 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.015 3.580 6.928 1.00 0.00 H new ATOM 796 N GLN A 31 -1.482 5.747 12.463 1.00 0.00 N ATOM 797 CA GLN A 31 -1.191 6.956 13.221 1.00 0.00 C ATOM 798 C GLN A 31 -0.598 6.604 14.580 1.00 0.00 C ATOM 799 O GLN A 31 0.317 7.272 15.061 1.00 0.00 O ATOM 800 CB GLN A 31 -2.465 7.788 13.400 1.00 0.00 C ATOM 801 CG GLN A 31 -2.277 9.014 14.281 1.00 0.00 C ATOM 802 CD GLN A 31 -2.420 8.698 15.757 1.00 0.00 C ATOM 803 OE1 GLN A 31 -1.309 8.752 16.484 1.00 0.00 O flip ATOM 804 NE2 GLN A 31 -3.515 8.410 16.239 1.00 0.00 N flip ATOM 0 H GLN A 31 -2.475 5.529 12.385 1.00 0.00 H new ATOM 0 HA GLN A 31 -0.461 7.545 12.666 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -2.821 8.107 12.420 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -3.242 7.157 13.831 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -1.291 9.440 14.098 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.009 9.773 14.003 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -4.343 8.380 15.643 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -3.595 8.201 17.234 1.00 0.00 H new ATOM 813 N ASP A 32 -1.124 5.550 15.194 1.00 0.00 N ATOM 814 CA ASP A 32 -0.644 5.108 16.499 1.00 0.00 C ATOM 815 C ASP A 32 0.594 4.222 16.364 1.00 0.00 C ATOM 816 O ASP A 32 1.293 3.968 17.346 1.00 0.00 O ATOM 817 CB ASP A 32 -1.748 4.348 17.237 1.00 0.00 C ATOM 818 CG ASP A 32 -1.726 4.606 18.731 1.00 0.00 C ATOM 819 OD1 ASP A 32 -0.621 4.637 19.313 1.00 0.00 O1- ATOM 820 OD2 ASP A 32 -2.814 4.777 19.320 1.00 0.00 O ATOM 0 H ASP A 32 -1.882 4.986 14.810 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.369 5.993 17.072 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.718 4.640 16.835 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.635 3.279 17.054 1.00 0.00 H new ATOM 825 N LYS A 33 0.860 3.748 15.148 1.00 0.00 N ATOM 826 CA LYS A 33 2.013 2.888 14.901 1.00 0.00 C ATOM 827 C LYS A 33 3.187 3.681 14.334 1.00 0.00 C ATOM 828 O LYS A 33 4.347 3.321 14.537 1.00 0.00 O ATOM 829 CB LYS A 33 1.634 1.759 13.938 1.00 0.00 C ATOM 830 CG LYS A 33 1.378 0.430 14.630 1.00 0.00 C ATOM 831 CD LYS A 33 1.933 -0.733 13.828 1.00 0.00 C ATOM 832 CE LYS A 33 3.268 -1.206 14.380 1.00 0.00 C ATOM 833 NZ LYS A 33 4.378 -0.281 14.021 1.00 0.00 N1+ ATOM 0 H LYS A 33 0.294 3.945 14.322 1.00 0.00 H new ATOM 0 HA LYS A 33 2.321 2.461 15.855 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.741 2.049 13.385 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.434 1.631 13.208 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.834 0.441 15.620 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.306 0.295 14.774 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.220 -1.558 13.841 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.055 -0.433 12.787 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.203 -1.290 15.465 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.487 -2.202 13.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.270 -0.640 14.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.458 -0.220 12.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.182 0.664 14.410 1.00 0.00 H new ATOM 847 N GLU A 34 2.884 4.759 13.616 1.00 0.00 N ATOM 848 CA GLU A 34 3.923 5.592 13.017 1.00 0.00 C ATOM 849 C GLU A 34 3.905 7.005 13.593 1.00 0.00 C ATOM 850 O GLU A 34 4.955 7.621 13.779 1.00 0.00 O ATOM 851 CB GLU A 34 3.745 5.648 11.498 1.00 0.00 C ATOM 852 CG GLU A 34 4.155 4.367 10.790 1.00 0.00 C ATOM 853 CD GLU A 34 3.698 4.328 9.345 1.00 0.00 C ATOM 854 OE1 GLU A 34 3.860 5.348 8.643 1.00 0.00 O1- ATOM 855 OE2 GLU A 34 3.177 3.277 8.916 1.00 0.00 O ATOM 0 H GLU A 34 1.931 5.076 13.435 1.00 0.00 H new ATOM 0 HA GLU A 34 4.887 5.142 13.252 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.700 5.861 11.271 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.333 6.476 11.102 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.240 4.267 10.827 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.738 3.512 11.322 1.00 0.00 H new ATOM 862 N GLY A 35 2.710 7.516 13.869 1.00 0.00 N ATOM 863 CA GLY A 35 2.587 8.854 14.416 1.00 0.00 C ATOM 864 C GLY A 35 2.164 9.869 13.371 1.00 0.00 C ATOM 865 O GLY A 35 2.465 11.057 13.490 1.00 0.00 O ATOM 0 H GLY A 35 1.826 7.028 13.724 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.859 8.847 15.227 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.541 9.157 14.847 1.00 0.00 H new ATOM 869 N ILE A 36 1.466 9.398 12.342 1.00 0.00 N ATOM 870 CA ILE A 36 1.002 10.268 11.268 1.00 0.00 C ATOM 871 C ILE A 36 -0.518 10.417 11.298 1.00 0.00 C ATOM 872 O ILE A 36 -1.244 9.509 10.894 1.00 0.00 O ATOM 873 CB ILE A 36 1.426 9.728 9.889 1.00 0.00 C ATOM 874 CG1 ILE A 36 2.915 9.379 9.890 1.00 0.00 C ATOM 875 CG2 ILE A 36 1.114 10.747 8.804 1.00 0.00 C ATOM 876 CD1 ILE A 36 3.398 8.797 8.579 1.00 0.00 C ATOM 0 H ILE A 36 1.209 8.417 12.230 1.00 0.00 H new ATOM 0 HA ILE A 36 1.463 11.243 11.427 1.00 0.00 H new ATOM 0 HB ILE A 36 0.861 8.820 9.680 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.491 10.277 10.114 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.113 8.666 10.690 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.419 10.352 7.835 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.043 10.950 8.792 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.656 11.671 9.006 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.462 8.573 8.651 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.848 7.881 8.363 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.232 9.517 7.778 1.00 0.00 H new ATOM 888 N PRO A 37 -1.024 11.568 11.779 1.00 0.00 N ATOM 889 CA PRO A 37 -2.467 11.823 11.856 1.00 0.00 C ATOM 890 C PRO A 37 -3.179 11.552 10.532 1.00 0.00 C ATOM 891 O PRO A 37 -2.593 11.710 9.461 1.00 0.00 O ATOM 892 CB PRO A 37 -2.546 13.310 12.208 1.00 0.00 C ATOM 893 CG PRO A 37 -1.269 13.598 12.918 1.00 0.00 C ATOM 894 CD PRO A 37 -0.234 12.708 12.285 1.00 0.00 C ATOM 0 HA PRO A 37 -2.956 11.171 12.580 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.649 13.924 11.313 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.408 13.522 12.841 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.995 14.648 12.818 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.361 13.393 13.985 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.296 13.218 11.480 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.516 12.387 13.008 1.00 0.00 H new ATOM 902 N PRO A 38 -4.458 11.137 10.586 1.00 0.00 N ATOM 903 CA PRO A 38 -5.245 10.844 9.383 1.00 0.00 C ATOM 904 C PRO A 38 -5.310 12.032 8.429 1.00 0.00 C ATOM 905 O PRO A 38 -5.436 11.860 7.216 1.00 0.00 O ATOM 906 CB PRO A 38 -6.640 10.526 9.930 1.00 0.00 C ATOM 907 CG PRO A 38 -6.416 10.122 11.346 1.00 0.00 C ATOM 908 CD PRO A 38 -5.236 10.921 11.820 1.00 0.00 C ATOM 0 HA PRO A 38 -4.806 10.032 8.803 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.296 11.394 9.866 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.114 9.726 9.362 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.297 10.327 11.955 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.219 9.053 11.421 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.544 11.864 12.272 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.659 10.381 12.570 1.00 0.00 H new ATOM 916 N ASP A 39 -5.225 13.237 8.983 1.00 0.00 N ATOM 917 CA ASP A 39 -5.277 14.453 8.179 1.00 0.00 C ATOM 918 C ASP A 39 -3.874 14.973 7.879 1.00 0.00 C ATOM 919 O ASP A 39 -3.677 16.171 7.676 1.00 0.00 O ATOM 920 CB ASP A 39 -6.088 15.532 8.900 1.00 0.00 C ATOM 921 CG ASP A 39 -6.907 16.375 7.943 1.00 0.00 C ATOM 922 OD1 ASP A 39 -6.349 16.819 6.917 1.00 0.00 O ATOM 923 OD2 ASP A 39 -8.105 16.593 8.219 1.00 0.00 O1- ATOM 0 H ASP A 39 -5.120 13.398 9.985 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.763 14.210 7.234 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.752 15.060 9.624 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.412 16.177 9.461 1.00 0.00 H new ATOM 928 N GLN A 40 -2.902 14.066 7.853 1.00 0.00 N ATOM 929 CA GLN A 40 -1.518 14.437 7.578 1.00 0.00 C ATOM 930 C GLN A 40 -0.972 13.665 6.380 1.00 0.00 C ATOM 931 O GLN A 40 -0.221 14.207 5.570 1.00 0.00 O ATOM 932 CB GLN A 40 -0.645 14.178 8.807 1.00 0.00 C ATOM 933 CG GLN A 40 -0.576 15.357 9.763 1.00 0.00 C ATOM 934 CD GLN A 40 0.432 16.403 9.328 1.00 0.00 C ATOM 935 OE1 GLN A 40 1.120 16.237 8.321 1.00 0.00 O ATOM 936 NE2 GLN A 40 0.524 17.488 10.088 1.00 0.00 N ATOM 0 H GLN A 40 -3.047 13.070 8.019 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.495 15.501 7.341 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.032 13.310 9.341 1.00 0.00 H new ATOM 0 HB3 GLN A 40 0.364 13.927 8.479 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -1.561 15.817 9.838 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -0.315 14.998 10.758 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.066 17.583 10.914 1.00 0.00 H new ATOM 0 HE22 GLN A 40 1.185 18.226 9.846 1.00 0.00 H new ATOM 945 N GLN A 41 -1.349 12.394 6.276 1.00 0.00 N ATOM 946 CA GLN A 41 -0.894 11.549 5.179 1.00 0.00 C ATOM 947 C GLN A 41 -2.059 11.130 4.288 1.00 0.00 C ATOM 948 O GLN A 41 -3.223 11.255 4.671 1.00 0.00 O ATOM 949 CB GLN A 41 -0.188 10.307 5.727 1.00 0.00 C ATOM 950 CG GLN A 41 -1.072 9.453 6.622 1.00 0.00 C ATOM 951 CD GLN A 41 -0.287 8.409 7.393 1.00 0.00 C ATOM 952 OE1 GLN A 41 0.849 8.088 7.045 1.00 0.00 O ATOM 953 NE2 GLN A 41 -0.893 7.872 8.445 1.00 0.00 N ATOM 0 H GLN A 41 -1.968 11.927 6.939 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.192 12.127 4.578 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.164 9.701 4.892 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.693 10.618 6.289 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.601 10.097 7.325 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.828 8.957 6.013 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.836 8.169 8.697 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.416 7.163 9.001 1.00 0.00 H new ATOM 962 N ARG A 42 -1.738 10.630 3.100 1.00 0.00 N ATOM 963 CA ARG A 42 -2.757 10.188 2.153 1.00 0.00 C ATOM 964 C ARG A 42 -2.519 8.738 1.743 1.00 0.00 C ATOM 965 O ARG A 42 -1.429 8.199 1.936 1.00 0.00 O ATOM 966 CB ARG A 42 -2.760 11.088 0.915 1.00 0.00 C ATOM 967 CG ARG A 42 -2.995 12.555 1.232 1.00 0.00 C ATOM 968 CD ARG A 42 -2.749 13.434 0.015 1.00 0.00 C ATOM 969 NE ARG A 42 -1.428 14.056 0.048 1.00 0.00 N ATOM 970 CZ ARG A 42 -1.004 14.945 -0.848 1.00 0.00 C ATOM 971 NH1 ARG A 42 -1.795 15.320 -1.846 1.00 0.00 N1+ ATOM 972 NH2 ARG A 42 0.213 15.462 -0.744 1.00 0.00 N ATOM 0 H ARG A 42 -0.780 10.520 2.769 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.729 10.256 2.642 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -1.806 10.985 0.398 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.533 10.745 0.228 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.018 12.694 1.582 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.336 12.863 2.044 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.845 12.835 -0.890 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -3.514 14.209 -0.033 1.00 0.00 H new ATOM 0 HE ARG A 42 -0.793 13.794 0.802 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -2.732 14.927 -1.929 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -1.465 16.001 -2.530 1.00 0.00 H new ATOM 0 HH21 ARG A 42 0.824 15.179 0.022 1.00 0.00 H new ATOM 0 HH22 ARG A 42 0.538 16.143 -1.430 1.00 0.00 H new ATOM 986 N LEU A 43 -3.546 8.109 1.180 1.00 0.00 N ATOM 987 CA LEU A 43 -3.446 6.719 0.748 1.00 0.00 C ATOM 988 C LEU A 43 -4.038 6.538 -0.646 1.00 0.00 C ATOM 989 O LEU A 43 -5.098 7.081 -0.957 1.00 0.00 O ATOM 990 CB LEU A 43 -4.159 5.802 1.748 1.00 0.00 C ATOM 991 CG LEU A 43 -3.350 4.600 2.228 1.00 0.00 C ATOM 992 CD1 LEU A 43 -1.980 5.046 2.683 1.00 0.00 C ATOM 993 CD2 LEU A 43 -4.083 3.879 3.348 1.00 0.00 C ATOM 0 H LEU A 43 -4.456 8.539 1.012 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.391 6.449 0.708 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.447 6.394 2.616 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.079 5.439 1.290 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.229 3.903 1.399 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.410 4.181 3.024 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.457 5.521 1.852 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.083 5.758 3.502 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.492 3.025 3.678 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.232 4.562 4.184 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.051 3.533 2.985 1.00 0.00 H new ATOM 1005 N ILE A 44 -3.346 5.769 -1.480 1.00 0.00 N ATOM 1006 CA ILE A 44 -3.801 5.513 -2.842 1.00 0.00 C ATOM 1007 C ILE A 44 -3.641 4.040 -3.204 1.00 0.00 C ATOM 1008 O ILE A 44 -2.626 3.420 -2.886 1.00 0.00 O ATOM 1009 CB ILE A 44 -3.029 6.369 -3.864 1.00 0.00 C ATOM 1010 CG1 ILE A 44 -3.004 7.834 -3.422 1.00 0.00 C ATOM 1011 CG2 ILE A 44 -3.655 6.238 -5.245 1.00 0.00 C ATOM 1012 CD1 ILE A 44 -1.941 8.657 -4.117 1.00 0.00 C ATOM 0 H ILE A 44 -2.467 5.312 -1.236 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.856 5.783 -2.880 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.002 6.007 -3.915 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.980 8.280 -3.614 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.840 7.878 -2.345 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.099 6.849 -5.956 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.625 5.195 -5.561 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.691 6.576 -5.209 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.982 9.684 -3.755 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.958 8.236 -3.905 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.117 8.644 -5.193 1.00 0.00 H new ATOM 1024 N PHE A 45 -4.648 3.486 -3.872 1.00 0.00 N ATOM 1025 CA PHE A 45 -4.615 2.085 -4.275 1.00 0.00 C ATOM 1026 C PHE A 45 -5.480 1.851 -5.509 1.00 0.00 C ATOM 1027 O PHE A 45 -6.628 2.290 -5.567 1.00 0.00 O ATOM 1028 CB PHE A 45 -5.091 1.191 -3.128 1.00 0.00 C ATOM 1029 CG PHE A 45 -4.840 -0.271 -3.361 1.00 0.00 C ATOM 1030 CD1 PHE A 45 -3.550 -0.776 -3.345 1.00 0.00 C ATOM 1031 CD2 PHE A 45 -5.893 -1.139 -3.597 1.00 0.00 C ATOM 1032 CE1 PHE A 45 -3.314 -2.121 -3.559 1.00 0.00 C ATOM 1033 CE2 PHE A 45 -5.663 -2.485 -3.813 1.00 0.00 C ATOM 1034 CZ PHE A 45 -4.373 -2.977 -3.794 1.00 0.00 C ATOM 0 H PHE A 45 -5.495 3.985 -4.145 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.585 1.830 -4.523 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -4.590 1.495 -2.209 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.159 1.348 -2.975 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.719 -0.111 -3.163 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.904 -0.760 -3.612 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.304 -2.502 -3.543 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -6.492 -3.152 -3.997 1.00 0.00 H new ATOM 0 HZ PHE A 45 -4.192 -4.028 -3.962 1.00 0.00 H new ATOM 1044 N ALA A 46 -4.921 1.156 -6.495 1.00 0.00 N ATOM 1045 CA ALA A 46 -5.639 0.862 -7.730 1.00 0.00 C ATOM 1046 C ALA A 46 -6.133 2.140 -8.398 1.00 0.00 C ATOM 1047 O ALA A 46 -7.268 2.209 -8.868 1.00 0.00 O ATOM 1048 CB ALA A 46 -6.805 -0.075 -7.449 1.00 0.00 C ATOM 0 H ALA A 46 -3.971 0.785 -6.462 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.948 0.372 -8.416 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.333 -0.287 -8.378 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.429 -1.006 -7.024 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.488 0.396 -6.743 1.00 0.00 H new ATOM 1054 N GLY A 47 -5.273 3.153 -8.433 1.00 0.00 N ATOM 1055 CA GLY A 47 -5.641 4.416 -9.044 1.00 0.00 C ATOM 1056 C GLY A 47 -6.855 5.047 -8.388 1.00 0.00 C ATOM 1057 O GLY A 47 -7.565 5.836 -9.011 1.00 0.00 O ATOM 0 H GLY A 47 -4.328 3.121 -8.049 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.799 5.105 -8.981 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.845 4.258 -10.103 1.00 0.00 H new ATOM 1061 N LYS A 48 -7.093 4.697 -7.128 1.00 0.00 N ATOM 1062 CA LYS A 48 -8.230 5.233 -6.388 1.00 0.00 C ATOM 1063 C LYS A 48 -7.762 5.985 -5.146 1.00 0.00 C ATOM 1064 O LYS A 48 -6.827 5.562 -4.467 1.00 0.00 O ATOM 1065 CB LYS A 48 -9.183 4.105 -5.988 1.00 0.00 C ATOM 1066 CG LYS A 48 -9.805 3.386 -7.174 1.00 0.00 C ATOM 1067 CD LYS A 48 -10.186 1.958 -6.821 1.00 0.00 C ATOM 1068 CE LYS A 48 -10.595 1.170 -8.056 1.00 0.00 C ATOM 1069 NZ LYS A 48 -10.472 -0.299 -7.843 1.00 0.00 N1+ ATOM 0 H LYS A 48 -6.514 4.045 -6.598 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.759 5.931 -7.037 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.641 3.382 -5.378 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.978 4.515 -5.365 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.690 3.928 -7.506 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.102 3.381 -8.007 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.344 1.465 -6.336 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.007 1.966 -6.104 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.625 1.414 -8.318 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.972 1.468 -8.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.760 -0.800 -8.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.485 -0.536 -7.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.086 -0.588 -7.055 1.00 0.00 H new ATOM 1083 N GLN A 49 -8.419 7.104 -4.856 1.00 0.00 N ATOM 1084 CA GLN A 49 -8.071 7.917 -3.697 1.00 0.00 C ATOM 1085 C GLN A 49 -8.745 7.386 -2.435 1.00 0.00 C ATOM 1086 O GLN A 49 -9.954 7.531 -2.258 1.00 0.00 O ATOM 1087 CB GLN A 49 -8.475 9.373 -3.930 1.00 0.00 C ATOM 1088 CG GLN A 49 -7.655 10.067 -5.005 1.00 0.00 C ATOM 1089 CD GLN A 49 -6.163 9.983 -4.746 1.00 0.00 C ATOM 1090 OE1 GLN A 49 -5.668 10.478 -3.734 1.00 0.00 O ATOM 1091 NE2 GLN A 49 -5.438 9.351 -5.663 1.00 0.00 N ATOM 0 H GLN A 49 -9.195 7.468 -5.408 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.991 7.864 -3.559 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -9.528 9.409 -4.208 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.373 9.924 -2.995 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -7.878 9.618 -5.973 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -7.951 11.114 -5.063 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.890 8.956 -6.487 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.429 9.261 -5.543 1.00 0.00 H new ATOM 1100 N LEU A 50 -7.953 6.772 -1.563 1.00 0.00 N ATOM 1101 CA LEU A 50 -8.472 6.222 -0.315 1.00 0.00 C ATOM 1102 C LEU A 50 -8.829 7.338 0.661 1.00 0.00 C ATOM 1103 O LEU A 50 -8.094 7.604 1.612 1.00 0.00 O ATOM 1104 CB LEU A 50 -7.442 5.281 0.315 1.00 0.00 C ATOM 1105 CG LEU A 50 -7.687 3.791 0.068 1.00 0.00 C ATOM 1106 CD1 LEU A 50 -7.638 3.478 -1.419 1.00 0.00 C ATOM 1107 CD2 LEU A 50 -6.677 2.951 0.827 1.00 0.00 C ATOM 0 H LEU A 50 -6.950 6.642 -1.697 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.378 5.659 -0.539 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.455 5.539 -0.068 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.422 5.457 1.391 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.683 3.542 0.435 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.815 2.413 -1.573 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.406 4.052 -1.937 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.658 3.744 -1.815 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.868 1.894 0.639 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.670 3.203 0.494 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.766 3.151 1.895 1.00 0.00 H new ATOM 1119 N GLU A 51 -9.962 7.991 0.417 1.00 0.00 N ATOM 1120 CA GLU A 51 -10.417 9.081 1.272 1.00 0.00 C ATOM 1121 C GLU A 51 -10.949 8.551 2.600 1.00 0.00 C ATOM 1122 O GLU A 51 -11.327 7.385 2.709 1.00 0.00 O ATOM 1123 CB GLU A 51 -11.504 9.891 0.564 1.00 0.00 C ATOM 1124 CG GLU A 51 -11.134 10.297 -0.853 1.00 0.00 C ATOM 1125 CD GLU A 51 -12.299 10.906 -1.608 1.00 0.00 C ATOM 1126 OE1 GLU A 51 -12.649 12.070 -1.321 1.00 0.00 O1- ATOM 1127 OE2 GLU A 51 -12.863 10.219 -2.485 1.00 0.00 O ATOM 0 H GLU A 51 -10.581 7.783 -0.366 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.563 9.727 1.476 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -12.423 9.305 0.537 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -11.715 10.788 1.147 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.313 11.014 -0.819 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.772 9.423 -1.395 1.00 0.00 H new ATOM 1134 N ASP A 52 -10.975 9.418 3.607 1.00 0.00 N ATOM 1135 CA ASP A 52 -11.461 9.041 4.930 1.00 0.00 C ATOM 1136 C ASP A 52 -12.936 8.654 4.876 1.00 0.00 C ATOM 1137 O ASP A 52 -13.798 9.490 4.607 1.00 0.00 O ATOM 1138 CB ASP A 52 -11.259 10.190 5.918 1.00 0.00 C ATOM 1139 CG ASP A 52 -9.793 10.485 6.169 1.00 0.00 C ATOM 1140 OD1 ASP A 52 -9.027 9.529 6.402 1.00 0.00 O ATOM 1141 OD2 ASP A 52 -9.413 11.675 6.133 1.00 0.00 O1- ATOM 0 H ASP A 52 -10.665 10.387 3.532 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.888 8.177 5.268 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.747 11.086 5.534 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -11.744 9.943 6.862 1.00 0.00 H new ATOM 1146 N GLY A 53 -13.218 7.382 5.134 1.00 0.00 N ATOM 1147 CA GLY A 53 -14.588 6.905 5.110 1.00 0.00 C ATOM 1148 C GLY A 53 -14.844 5.918 3.986 1.00 0.00 C ATOM 1149 O GLY A 53 -15.991 5.687 3.604 1.00 0.00 O ATOM 0 H GLY A 53 -12.521 6.672 5.360 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.820 6.432 6.064 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -15.263 7.754 5.003 1.00 0.00 H new ATOM 1153 N ARG A 54 -13.774 5.331 3.456 1.00 0.00 N ATOM 1154 CA ARG A 54 -13.891 4.364 2.372 1.00 0.00 C ATOM 1155 C ARG A 54 -13.404 2.989 2.816 1.00 0.00 C ATOM 1156 O ARG A 54 -12.367 2.868 3.470 1.00 0.00 O ATOM 1157 CB ARG A 54 -13.093 4.832 1.154 1.00 0.00 C ATOM 1158 CG ARG A 54 -13.581 6.152 0.579 1.00 0.00 C ATOM 1159 CD ARG A 54 -14.733 5.946 -0.391 1.00 0.00 C ATOM 1160 NE ARG A 54 -15.090 7.179 -1.088 1.00 0.00 N ATOM 1161 CZ ARG A 54 -16.253 7.371 -1.706 1.00 0.00 C ATOM 1162 NH1 ARG A 54 -17.173 6.415 -1.717 1.00 0.00 N1+ ATOM 1163 NH2 ARG A 54 -16.497 8.524 -2.315 1.00 0.00 N ATOM 0 H ARG A 54 -12.817 5.509 3.761 1.00 0.00 H new ATOM 0 HA ARG A 54 -14.944 4.287 2.099 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -12.044 4.932 1.434 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.145 4.066 0.380 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -13.899 6.807 1.390 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -12.759 6.653 0.068 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -14.460 5.183 -1.120 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -15.601 5.572 0.152 1.00 0.00 H new ATOM 0 HE ARG A 54 -14.408 7.937 -1.102 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -16.991 5.527 -1.250 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -18.062 6.568 -2.192 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -15.794 9.263 -2.309 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -17.388 8.672 -2.789 1.00 0.00 H new ATOM 1177 N THR A 55 -14.158 1.954 2.459 1.00 0.00 N ATOM 1178 CA THR A 55 -13.802 0.588 2.824 1.00 0.00 C ATOM 1179 C THR A 55 -12.628 0.088 1.989 1.00 0.00 C ATOM 1180 O THR A 55 -12.194 0.753 1.049 1.00 0.00 O ATOM 1181 CB THR A 55 -15.004 -0.339 2.641 1.00 0.00 C ATOM 1182 OG1 THR A 55 -15.734 0.008 1.477 1.00 0.00 O ATOM 1183 CG2 THR A 55 -15.965 -0.310 3.811 1.00 0.00 C ATOM 0 H THR A 55 -15.019 2.036 1.918 1.00 0.00 H new ATOM 0 HA THR A 55 -13.504 0.585 3.873 1.00 0.00 H new ATOM 0 HB THR A 55 -14.585 -1.342 2.559 1.00 0.00 H new ATOM 0 HG1 THR A 55 -16.498 -0.598 1.377 1.00 0.00 H new ATOM 0 HG21 THR A 55 -16.795 -0.990 3.617 1.00 0.00 H new ATOM 0 HG22 THR A 55 -15.445 -0.622 4.717 1.00 0.00 H new ATOM 0 HG23 THR A 55 -16.348 0.702 3.942 1.00 0.00 H new ATOM 1191 N LEU A 56 -12.118 -1.087 2.341 1.00 0.00 N ATOM 1192 CA LEU A 56 -10.993 -1.679 1.627 1.00 0.00 C ATOM 1193 C LEU A 56 -11.470 -2.558 0.477 1.00 0.00 C ATOM 1194 O LEU A 56 -10.849 -2.601 -0.585 1.00 0.00 O ATOM 1195 CB LEU A 56 -10.129 -2.493 2.581 1.00 0.00 C ATOM 1196 CG LEU A 56 -9.738 -1.789 3.883 1.00 0.00 C ATOM 1197 CD1 LEU A 56 -8.346 -2.191 4.289 1.00 0.00 C ATOM 1198 CD2 LEU A 56 -9.773 -0.288 3.729 1.00 0.00 C ATOM 0 H LEU A 56 -12.466 -1.649 3.118 1.00 0.00 H new ATOM 0 HA LEU A 56 -10.397 -0.867 1.211 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -10.661 -3.411 2.831 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.218 -2.784 2.059 1.00 0.00 H new ATOM 0 HG LEU A 56 -10.459 -2.087 4.644 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.077 -1.685 5.216 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.308 -3.270 4.440 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.643 -1.910 3.505 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.490 0.181 4.671 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.074 0.014 2.949 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -10.780 0.026 3.455 1.00 0.00 H new ATOM 1210 N SER A 57 -12.580 -3.257 0.695 1.00 0.00 N ATOM 1211 CA SER A 57 -13.143 -4.137 -0.323 1.00 0.00 C ATOM 1212 C SER A 57 -13.446 -3.367 -1.604 1.00 0.00 C ATOM 1213 O SER A 57 -13.391 -3.921 -2.701 1.00 0.00 O ATOM 1214 CB SER A 57 -14.416 -4.805 0.199 1.00 0.00 C ATOM 1215 OG SER A 57 -14.931 -5.729 -0.744 1.00 0.00 O ATOM 0 H SER A 57 -13.107 -3.231 1.568 1.00 0.00 H new ATOM 0 HA SER A 57 -12.405 -4.906 -0.551 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.203 -5.318 1.137 1.00 0.00 H new ATOM 0 HB3 SER A 57 -15.167 -4.045 0.415 1.00 0.00 H new ATOM 0 HG SER A 57 -15.744 -6.143 -0.386 1.00 0.00 H new ATOM 1221 N ASP A 58 -13.767 -2.085 -1.456 1.00 0.00 N ATOM 1222 CA ASP A 58 -14.078 -1.239 -2.601 1.00 0.00 C ATOM 1223 C ASP A 58 -12.847 -1.033 -3.477 1.00 0.00 C ATOM 1224 O ASP A 58 -12.957 -0.869 -4.692 1.00 0.00 O ATOM 1225 CB ASP A 58 -14.616 0.114 -2.131 1.00 0.00 C ATOM 1226 CG ASP A 58 -16.122 0.104 -1.944 1.00 0.00 C ATOM 1227 OD1 ASP A 58 -16.645 -0.887 -1.394 1.00 0.00 O1- ATOM 1228 OD2 ASP A 58 -16.776 1.088 -2.350 1.00 0.00 O ATOM 0 H ASP A 58 -13.818 -1.611 -0.555 1.00 0.00 H new ATOM 0 HA ASP A 58 -14.843 -1.741 -3.194 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.137 0.385 -1.190 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.348 0.881 -2.858 1.00 0.00 H new ATOM 1233 N TYR A 59 -11.673 -1.040 -2.852 1.00 0.00 N ATOM 1234 CA TYR A 59 -10.420 -0.853 -3.575 1.00 0.00 C ATOM 1235 C TYR A 59 -9.735 -2.190 -3.860 1.00 0.00 C ATOM 1236 O TYR A 59 -8.639 -2.226 -4.418 1.00 0.00 O ATOM 1237 CB TYR A 59 -9.481 0.054 -2.780 1.00 0.00 C ATOM 1238 CG TYR A 59 -10.105 1.372 -2.379 1.00 0.00 C ATOM 1239 CD1 TYR A 59 -10.305 2.379 -3.313 1.00 0.00 C ATOM 1240 CD2 TYR A 59 -10.496 1.605 -1.067 1.00 0.00 C ATOM 1241 CE1 TYR A 59 -10.875 3.585 -2.951 1.00 0.00 C ATOM 1242 CE2 TYR A 59 -11.068 2.808 -0.697 1.00 0.00 C ATOM 1243 CZ TYR A 59 -11.255 3.794 -1.642 1.00 0.00 C ATOM 1244 OH TYR A 59 -11.824 4.993 -1.278 1.00 0.00 O ATOM 0 H TYR A 59 -11.564 -1.173 -1.847 1.00 0.00 H new ATOM 0 HA TYR A 59 -10.654 -0.382 -4.530 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -9.156 -0.472 -1.882 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.589 0.250 -3.375 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.010 2.218 -4.339 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -10.351 0.835 -0.324 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -11.022 4.359 -3.689 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -11.367 2.974 0.327 1.00 0.00 H new ATOM 0 HH TYR A 59 -11.269 5.731 -1.605 1.00 0.00 H new ATOM 1254 N ASN A 60 -10.383 -3.288 -3.475 1.00 0.00 N ATOM 1255 CA ASN A 60 -9.827 -4.619 -3.694 1.00 0.00 C ATOM 1256 C ASN A 60 -8.470 -4.762 -3.010 1.00 0.00 C ATOM 1257 O ASN A 60 -7.491 -5.178 -3.630 1.00 0.00 O ATOM 1258 CB ASN A 60 -9.692 -4.896 -5.193 1.00 0.00 C ATOM 1259 CG ASN A 60 -11.034 -5.084 -5.870 1.00 0.00 C ATOM 1260 OD1 ASN A 60 -12.038 -4.500 -5.459 1.00 0.00 O ATOM 1261 ND2 ASN A 60 -11.061 -5.903 -6.916 1.00 0.00 N ATOM 0 H ASN A 60 -11.291 -3.281 -3.011 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.509 -5.349 -3.258 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.162 -4.069 -5.666 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.085 -5.789 -5.341 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.937 -6.068 -7.412 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -10.206 -6.366 -7.223 1.00 0.00 H new ATOM 1268 N ILE A 61 -8.420 -4.417 -1.729 1.00 0.00 N ATOM 1269 CA ILE A 61 -7.185 -4.508 -0.959 1.00 0.00 C ATOM 1270 C ILE A 61 -7.030 -5.889 -0.332 1.00 0.00 C ATOM 1271 O ILE A 61 -7.684 -6.207 0.660 1.00 0.00 O ATOM 1272 CB ILE A 61 -7.135 -3.442 0.151 1.00 0.00 C ATOM 1273 CG1 ILE A 61 -7.482 -2.064 -0.416 1.00 0.00 C ATOM 1274 CG2 ILE A 61 -5.761 -3.421 0.804 1.00 0.00 C ATOM 1275 CD1 ILE A 61 -7.464 -0.960 0.618 1.00 0.00 C ATOM 0 H ILE A 61 -9.221 -4.071 -1.201 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.364 -4.334 -1.655 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.874 -3.697 0.911 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.776 -1.819 -1.209 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.471 -2.107 -0.872 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.742 -2.662 1.586 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.550 -4.398 1.240 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.005 -3.188 0.054 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.719 -0.013 0.143 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.191 -1.182 1.400 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.469 -0.889 1.057 1.00 0.00 H new ATOM 1287 N GLN A 62 -6.159 -6.705 -0.918 1.00 0.00 N ATOM 1288 CA GLN A 62 -5.918 -8.054 -0.415 1.00 0.00 C ATOM 1289 C GLN A 62 -4.912 -8.036 0.732 1.00 0.00 C ATOM 1290 O GLN A 62 -4.551 -6.973 1.237 1.00 0.00 O ATOM 1291 CB GLN A 62 -5.409 -8.955 -1.541 1.00 0.00 C ATOM 1292 CG GLN A 62 -6.240 -8.871 -2.811 1.00 0.00 C ATOM 1293 CD GLN A 62 -6.256 -10.175 -3.585 1.00 0.00 C ATOM 1294 OE1 GLN A 62 -7.315 -10.758 -3.819 1.00 0.00 O ATOM 1295 NE2 GLN A 62 -5.079 -10.640 -3.987 1.00 0.00 N ATOM 0 H GLN A 62 -5.609 -6.457 -1.740 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.862 -8.450 -0.039 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -4.379 -8.686 -1.773 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.398 -9.987 -1.192 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -7.262 -8.593 -2.554 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -5.845 -8.080 -3.448 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -4.226 -10.124 -3.771 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.028 -11.513 -4.512 1.00 0.00 H new ATOM 1304 N LYS A 63 -4.465 -9.219 1.139 1.00 0.00 N ATOM 1305 CA LYS A 63 -3.501 -9.338 2.227 1.00 0.00 C ATOM 1306 C LYS A 63 -2.082 -9.076 1.729 1.00 0.00 C ATOM 1307 O LYS A 63 -1.738 -9.412 0.595 1.00 0.00 O ATOM 1308 CB LYS A 63 -3.585 -10.727 2.864 1.00 0.00 C ATOM 1309 CG LYS A 63 -3.107 -11.848 1.955 1.00 0.00 C ATOM 1310 CD LYS A 63 -4.024 -13.054 2.024 1.00 0.00 C ATOM 1311 CE LYS A 63 -5.017 -13.069 0.874 1.00 0.00 C ATOM 1312 NZ LYS A 63 -4.514 -13.857 -0.286 1.00 0.00 N1+ ATOM 0 H LYS A 63 -4.754 -10.109 0.732 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.746 -8.588 2.979 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.991 -10.734 3.778 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.618 -10.922 3.154 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.056 -11.487 0.928 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.097 -12.142 2.240 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.428 -13.966 2.003 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.563 -13.048 2.971 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.962 -13.490 1.216 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.220 -12.046 0.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.221 -13.842 -1.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.625 -13.440 -0.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.344 -14.840 0.009 1.00 0.00 H new ATOM 1326 N GLU A 64 -1.264 -8.471 2.584 1.00 0.00 N ATOM 1327 CA GLU A 64 0.119 -8.160 2.235 1.00 0.00 C ATOM 1328 C GLU A 64 0.186 -7.310 0.969 1.00 0.00 C ATOM 1329 O GLU A 64 1.181 -7.336 0.246 1.00 0.00 O ATOM 1330 CB GLU A 64 0.922 -9.447 2.041 1.00 0.00 C ATOM 1331 CG GLU A 64 1.284 -10.141 3.345 1.00 0.00 C ATOM 1332 CD GLU A 64 2.167 -11.354 3.134 1.00 0.00 C ATOM 1333 OE1 GLU A 64 3.399 -11.180 3.021 1.00 0.00 O1- ATOM 1334 OE2 GLU A 64 1.627 -12.479 3.081 1.00 0.00 O ATOM 0 H GLU A 64 -1.535 -8.186 3.525 1.00 0.00 H new ATOM 0 HA GLU A 64 0.552 -7.590 3.057 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.347 -10.134 1.421 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.837 -9.216 1.496 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.794 -9.434 3.999 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.371 -10.446 3.856 1.00 0.00 H new ATOM 1341 N SER A 65 -0.879 -6.557 0.709 1.00 0.00 N ATOM 1342 CA SER A 65 -0.937 -5.699 -0.467 1.00 0.00 C ATOM 1343 C SER A 65 0.014 -4.517 -0.321 1.00 0.00 C ATOM 1344 O SER A 65 0.756 -4.422 0.658 1.00 0.00 O ATOM 1345 CB SER A 65 -2.364 -5.196 -0.689 1.00 0.00 C ATOM 1346 OG SER A 65 -3.268 -6.277 -0.840 1.00 0.00 O ATOM 0 H SER A 65 -1.712 -6.525 1.297 1.00 0.00 H new ATOM 0 HA SER A 65 -0.630 -6.287 -1.332 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.670 -4.577 0.154 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.396 -4.564 -1.577 1.00 0.00 H new ATOM 0 HG SER A 65 -3.931 -6.252 -0.118 1.00 0.00 H new ATOM 1352 N THR A 66 -0.011 -3.616 -1.298 1.00 0.00 N ATOM 1353 CA THR A 66 0.851 -2.440 -1.271 1.00 0.00 C ATOM 1354 C THR A 66 0.032 -1.160 -1.383 1.00 0.00 C ATOM 1355 O THR A 66 -0.450 -0.810 -2.460 1.00 0.00 O ATOM 1356 CB THR A 66 1.881 -2.508 -2.402 1.00 0.00 C ATOM 1357 OG1 THR A 66 1.547 -3.528 -3.328 1.00 0.00 O ATOM 1358 CG2 THR A 66 3.286 -2.774 -1.910 1.00 0.00 C ATOM 0 H THR A 66 -0.617 -3.677 -2.116 1.00 0.00 H new ATOM 0 HA THR A 66 1.375 -2.428 -0.316 1.00 0.00 H new ATOM 0 HB THR A 66 1.857 -1.527 -2.876 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.217 -3.553 -4.043 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.968 -2.811 -2.759 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.592 -1.976 -1.233 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.312 -3.727 -1.382 1.00 0.00 H new ATOM 1366 N LEU A 67 -0.120 -0.461 -0.262 1.00 0.00 N ATOM 1367 CA LEU A 67 -0.879 0.784 -0.235 1.00 0.00 C ATOM 1368 C LEU A 67 0.047 1.984 -0.404 1.00 0.00 C ATOM 1369 O LEU A 67 0.943 2.210 0.409 1.00 0.00 O ATOM 1370 CB LEU A 67 -1.661 0.905 1.076 1.00 0.00 C ATOM 1371 CG LEU A 67 -2.978 0.131 1.128 1.00 0.00 C ATOM 1372 CD1 LEU A 67 -3.772 0.510 2.368 1.00 0.00 C ATOM 1373 CD2 LEU A 67 -3.802 0.379 -0.127 1.00 0.00 C ATOM 0 H LEU A 67 0.272 -0.736 0.639 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.584 0.770 -1.066 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.025 0.561 1.892 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.871 1.959 1.258 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.744 -0.932 1.178 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.706 -0.051 2.387 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.189 0.276 3.259 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.991 1.578 2.348 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.734 -0.182 -0.067 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.024 1.443 -0.212 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.239 0.054 -1.002 1.00 0.00 H new ATOM 1385 N HIS A 68 -0.175 2.750 -1.467 1.00 0.00 N ATOM 1386 CA HIS A 68 0.641 3.925 -1.746 1.00 0.00 C ATOM 1387 C HIS A 68 0.353 5.042 -0.748 1.00 0.00 C ATOM 1388 O HIS A 68 -0.740 5.608 -0.733 1.00 0.00 O ATOM 1389 CB HIS A 68 0.387 4.422 -3.170 1.00 0.00 C ATOM 1390 CG HIS A 68 0.759 3.427 -4.226 1.00 0.00 C ATOM 1391 ND1 HIS A 68 0.491 3.615 -5.566 1.00 0.00 N ATOM 1392 CD2 HIS A 68 1.381 2.227 -4.134 1.00 0.00 C ATOM 1393 CE1 HIS A 68 0.932 2.575 -6.251 1.00 0.00 C ATOM 1394 NE2 HIS A 68 1.477 1.719 -5.405 1.00 0.00 N ATOM 0 H HIS A 68 -0.913 2.578 -2.149 1.00 0.00 H new ATOM 0 HA HIS A 68 1.688 3.638 -1.648 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -0.668 4.674 -3.275 1.00 0.00 H new ATOM 0 HB3 HIS A 68 0.952 5.340 -3.332 1.00 0.00 H new ATOM 0 HD2 HIS A 68 1.735 1.757 -3.228 1.00 0.00 H new ATOM 0 HE1 HIS A 68 0.859 2.446 -7.321 1.00 0.00 H new ATOM 0 HE2 HIS A 68 1.900 0.826 -5.656 1.00 0.00 H new ATOM 1403 N LEU A 69 1.342 5.355 0.082 1.00 0.00 N ATOM 1404 CA LEU A 69 1.196 6.407 1.082 1.00 0.00 C ATOM 1405 C LEU A 69 1.869 7.694 0.617 1.00 0.00 C ATOM 1406 O LEU A 69 2.912 7.659 -0.037 1.00 0.00 O ATOM 1407 CB LEU A 69 1.795 5.964 2.418 1.00 0.00 C ATOM 1408 CG LEU A 69 1.119 6.542 3.654 1.00 0.00 C ATOM 1409 CD1 LEU A 69 1.393 5.677 4.876 1.00 0.00 C ATOM 1410 CD2 LEU A 69 1.605 7.953 3.884 1.00 0.00 C ATOM 0 H LEU A 69 2.253 4.896 0.082 1.00 0.00 H new ATOM 0 HA LEU A 69 0.131 6.597 1.216 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.752 4.876 2.475 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.849 6.242 2.436 1.00 0.00 H new ATOM 0 HG LEU A 69 0.041 6.557 3.491 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.900 6.110 5.746 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.008 4.672 4.704 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.467 5.629 5.054 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.120 8.365 4.769 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.685 7.946 4.032 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.361 8.568 3.017 1.00 0.00 H new ATOM 1422 N VAL A 70 1.269 8.829 0.959 1.00 0.00 N ATOM 1423 CA VAL A 70 1.814 10.125 0.577 1.00 0.00 C ATOM 1424 C VAL A 70 1.799 11.095 1.755 1.00 0.00 C ATOM 1425 O VAL A 70 0.774 11.705 2.057 1.00 0.00 O ATOM 1426 CB VAL A 70 1.025 10.742 -0.594 1.00 0.00 C ATOM 1427 CG1 VAL A 70 1.684 12.028 -1.069 1.00 0.00 C ATOM 1428 CG2 VAL A 70 0.901 9.746 -1.736 1.00 0.00 C ATOM 0 H VAL A 70 0.406 8.877 1.500 1.00 0.00 H new ATOM 0 HA VAL A 70 2.844 9.957 0.262 1.00 0.00 H new ATOM 0 HB VAL A 70 0.023 10.986 -0.242 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.111 12.447 -1.896 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.715 12.745 -0.249 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.699 11.815 -1.403 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.341 10.199 -2.554 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.895 9.469 -2.086 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.378 8.856 -1.387 1.00 0.00 H new ATOM 1438 N LEU A 71 2.944 11.233 2.415 1.00 0.00 N ATOM 1439 CA LEU A 71 3.065 12.129 3.559 1.00 0.00 C ATOM 1440 C LEU A 71 2.994 13.588 3.114 1.00 0.00 C ATOM 1441 O LEU A 71 3.836 14.053 2.346 1.00 0.00 O ATOM 1442 CB LEU A 71 4.380 11.869 4.301 1.00 0.00 C ATOM 1443 CG LEU A 71 4.253 11.019 5.566 1.00 0.00 C ATOM 1444 CD1 LEU A 71 3.529 11.792 6.657 1.00 0.00 C ATOM 1445 CD2 LEU A 71 3.529 9.716 5.263 1.00 0.00 C ATOM 0 H LEU A 71 3.802 10.735 2.177 1.00 0.00 H new ATOM 0 HA LEU A 71 2.233 11.933 4.235 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.073 11.376 3.619 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.824 12.828 4.569 1.00 0.00 H new ATOM 0 HG LEU A 71 5.255 10.780 5.922 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.448 11.172 7.550 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.088 12.697 6.894 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.531 12.062 6.311 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.448 9.124 6.175 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.531 9.934 4.882 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.088 9.155 4.515 1.00 0.00 H new ATOM 1457 N ARG A 72 1.985 14.301 3.600 1.00 0.00 N ATOM 1458 CA ARG A 72 1.805 15.707 3.252 1.00 0.00 C ATOM 1459 C ARG A 72 3.023 16.529 3.657 1.00 0.00 C ATOM 1460 O ARG A 72 3.855 16.079 4.444 1.00 0.00 O ATOM 1461 CB ARG A 72 0.550 16.265 3.926 1.00 0.00 C ATOM 1462 CG ARG A 72 0.117 17.616 3.381 1.00 0.00 C ATOM 1463 CD ARG A 72 -1.355 17.880 3.651 1.00 0.00 C ATOM 1464 NE ARG A 72 -2.211 17.327 2.604 1.00 0.00 N ATOM 1465 CZ ARG A 72 -3.539 17.426 2.602 1.00 0.00 C ATOM 1466 NH1 ARG A 72 -4.165 18.055 3.589 1.00 0.00 N1+ ATOM 1467 NH2 ARG A 72 -4.242 16.895 1.612 1.00 0.00 N ATOM 0 H ARG A 72 1.279 13.930 4.236 1.00 0.00 H new ATOM 0 HA ARG A 72 1.688 15.775 2.170 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -0.266 15.554 3.801 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.733 16.356 4.997 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.718 18.403 3.836 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.303 17.653 2.308 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -1.631 17.446 4.612 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.523 18.954 3.727 1.00 0.00 H new ATOM 0 HE ARG A 72 -1.765 16.836 1.829 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -3.629 18.465 4.354 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.182 18.128 3.583 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -3.766 16.410 0.851 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -5.259 16.971 1.611 1.00 0.00 H new