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= -1.86 K(o=-1.9,f=-0.48) USER MOD Set 1.2: A 29 LYS NZ :NH3+ -170:sc= 0 (180deg=0) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= -0.0332 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ -110:sc= -0.0138 (180deg=-0.244) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.935 USER MOD Single : A 14 THR OG1 : rot -57:sc= 1.05 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+ -124:sc= -1.99 (180deg=-8.2!) USER MOD Single : A 31 GLN : amide:sc= -0.395 K(o=-0.39,f=-2.3!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.19 X(o=-0.19,f=-0.2) USER MOD Single : A 41 GLN : amide:sc= -6 K(o=-6,f=-11!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.722 K(o=0.72,f=-5.2!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.103 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -34:sc= -0.105 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.927 K(o=-0.93,f=-5!) USER MOD Single : A 63 LYS NZ :NH3+ -160:sc= -0.031 (180deg=-0.254) USER MOD Single : A 65 SER OG : rot -100:sc= -0.309 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0638 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 326 N GLN A 2 -3.283 -8.434 7.201 1.00 0.00 N ATOM 327 CA GLN A 2 -1.896 -7.984 7.237 1.00 0.00 C ATOM 328 C GLN A 2 -1.501 -7.324 5.919 1.00 0.00 C ATOM 329 O GLN A 2 -0.875 -7.951 5.065 1.00 0.00 O ATOM 330 CB GLN A 2 -0.964 -9.164 7.526 1.00 0.00 C ATOM 331 CG GLN A 2 -0.629 -9.327 9.000 1.00 0.00 C ATOM 332 CD GLN A 2 0.298 -10.498 9.260 1.00 0.00 C ATOM 333 OE1 GLN A 2 1.479 -10.317 9.560 1.00 0.00 O ATOM 334 NE2 GLN A 2 -0.232 -11.710 9.145 1.00 0.00 N ATOM 0 HA GLN A 2 -1.801 -7.247 8.034 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -1.429 -10.081 7.164 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -0.039 -9.032 6.964 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -0.164 -8.412 9.367 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -1.551 -9.465 9.565 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -1.215 -11.815 8.894 1.00 0.00 H new ATOM 0 HE22 GLN A 2 0.344 -12.536 9.307 1.00 0.00 H new ATOM 343 N ILE A 3 -1.866 -6.056 5.763 1.00 0.00 N ATOM 344 CA ILE A 3 -1.543 -5.315 4.549 1.00 0.00 C ATOM 345 C ILE A 3 -0.272 -4.494 4.735 1.00 0.00 C ATOM 346 O ILE A 3 0.045 -4.072 5.847 1.00 0.00 O ATOM 347 CB ILE A 3 -2.693 -4.375 4.136 1.00 0.00 C ATOM 348 CG1 ILE A 3 -2.991 -3.374 5.253 1.00 0.00 C ATOM 349 CG2 ILE A 3 -3.937 -5.179 3.792 1.00 0.00 C ATOM 350 CD1 ILE A 3 -3.369 -2.003 4.751 1.00 0.00 C ATOM 0 H ILE A 3 -2.384 -5.521 6.460 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.389 -6.051 3.760 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.386 -3.820 3.250 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.801 -3.762 5.870 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.115 -3.288 5.895 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.740 -4.501 3.502 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.717 -5.854 2.965 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.247 -5.759 4.661 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.566 -1.347 5.599 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.551 -1.594 4.158 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.264 -2.076 4.133 1.00 0.00 H new ATOM 362 N PHE A 4 0.454 -4.272 3.644 1.00 0.00 N ATOM 363 CA PHE A 4 1.689 -3.502 3.703 1.00 0.00 C ATOM 364 C PHE A 4 1.504 -2.118 3.090 1.00 0.00 C ATOM 365 O PHE A 4 1.301 -1.979 1.884 1.00 0.00 O ATOM 366 CB PHE A 4 2.822 -4.252 2.994 1.00 0.00 C ATOM 367 CG PHE A 4 3.868 -4.762 3.944 1.00 0.00 C ATOM 368 CD1 PHE A 4 4.523 -3.891 4.795 1.00 0.00 C ATOM 369 CD2 PHE A 4 4.179 -6.111 4.002 1.00 0.00 C ATOM 370 CE1 PHE A 4 5.472 -4.350 5.689 1.00 0.00 C ATOM 371 CE2 PHE A 4 5.130 -6.579 4.890 1.00 0.00 C ATOM 372 CZ PHE A 4 5.778 -5.695 5.735 1.00 0.00 C ATOM 0 H PHE A 4 0.210 -4.613 2.714 1.00 0.00 H new ATOM 0 HA PHE A 4 1.956 -3.374 4.752 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.404 -5.091 2.438 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.291 -3.589 2.267 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.290 -2.837 4.761 1.00 0.00 H new ATOM 0 HD2 PHE A 4 3.673 -6.804 3.347 1.00 0.00 H new ATOM 0 HE1 PHE A 4 5.973 -3.658 6.350 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.367 -7.632 4.924 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.522 -6.057 6.429 1.00 0.00 H new ATOM 382 N VAL A 5 1.575 -1.094 3.935 1.00 0.00 N ATOM 383 CA VAL A 5 1.418 0.282 3.484 1.00 0.00 C ATOM 384 C VAL A 5 2.749 0.850 3.005 1.00 0.00 C ATOM 385 O VAL A 5 3.644 1.120 3.807 1.00 0.00 O ATOM 386 CB VAL A 5 0.862 1.184 4.603 1.00 0.00 C ATOM 387 CG1 VAL A 5 0.563 2.577 4.069 1.00 0.00 C ATOM 388 CG2 VAL A 5 -0.384 0.563 5.220 1.00 0.00 C ATOM 0 H VAL A 5 1.740 -1.193 4.937 1.00 0.00 H new ATOM 0 HA VAL A 5 0.708 0.267 2.657 1.00 0.00 H new ATOM 0 HB VAL A 5 1.620 1.274 5.381 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.171 3.199 4.874 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.479 3.022 3.680 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.176 2.510 3.270 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.763 1.214 6.008 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.148 0.441 4.452 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.135 -0.411 5.642 1.00 0.00 H new ATOM 398 N LYS A 6 2.874 1.022 1.691 1.00 0.00 N ATOM 399 CA LYS A 6 4.095 1.556 1.100 1.00 0.00 C ATOM 400 C LYS A 6 3.974 3.057 0.864 1.00 0.00 C ATOM 401 O LYS A 6 3.008 3.524 0.261 1.00 0.00 O ATOM 402 CB LYS A 6 4.400 0.845 -0.220 1.00 0.00 C ATOM 403 CG LYS A 6 5.886 0.673 -0.489 1.00 0.00 C ATOM 404 CD LYS A 6 6.143 -0.408 -1.525 1.00 0.00 C ATOM 405 CE LYS A 6 7.460 -0.180 -2.252 1.00 0.00 C ATOM 406 NZ LYS A 6 7.381 0.968 -3.197 1.00 0.00 N1+ ATOM 0 H LYS A 6 2.143 0.798 1.016 1.00 0.00 H new ATOM 0 HA LYS A 6 4.913 1.381 1.798 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.925 -0.136 -0.213 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.954 1.410 -1.039 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.306 1.617 -0.835 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.398 0.418 0.439 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.158 -1.383 -1.039 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.326 -0.424 -2.246 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.250 0.003 -1.524 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.734 -1.082 -2.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.411 0.615 -4.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.492 1.484 -3.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.185 1.607 -3.035 1.00 0.00 H new ATOM 420 N THR A 7 4.959 3.810 1.344 1.00 0.00 N ATOM 421 CA THR A 7 4.959 5.261 1.184 1.00 0.00 C ATOM 422 C THR A 7 5.667 5.668 -0.105 1.00 0.00 C ATOM 423 O THR A 7 6.003 4.823 -0.934 1.00 0.00 O ATOM 424 CB THR A 7 5.635 5.927 2.383 1.00 0.00 C ATOM 425 OG1 THR A 7 7.041 5.774 2.315 1.00 0.00 O ATOM 426 CG2 THR A 7 5.177 5.371 3.714 1.00 0.00 C ATOM 0 H THR A 7 5.766 3.441 1.846 1.00 0.00 H new ATOM 0 HA THR A 7 3.923 5.595 1.128 1.00 0.00 H new ATOM 0 HB THR A 7 5.349 6.977 2.328 1.00 0.00 H new ATOM 0 HG1 THR A 7 7.455 6.208 3.090 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.696 5.887 4.522 1.00 0.00 H new ATOM 0 HG22 THR A 7 4.102 5.519 3.820 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.403 4.306 3.760 1.00 0.00 H new ATOM 434 N LEU A 8 5.888 6.969 -0.265 1.00 0.00 N ATOM 435 CA LEU A 8 6.553 7.491 -1.453 1.00 0.00 C ATOM 436 C LEU A 8 7.958 6.913 -1.592 1.00 0.00 C ATOM 437 O LEU A 8 8.286 6.290 -2.602 1.00 0.00 O ATOM 438 CB LEU A 8 6.624 9.018 -1.393 1.00 0.00 C ATOM 439 CG LEU A 8 5.271 9.731 -1.454 1.00 0.00 C ATOM 440 CD1 LEU A 8 5.197 10.844 -0.425 1.00 0.00 C ATOM 441 CD2 LEU A 8 5.031 10.304 -2.836 1.00 0.00 C ATOM 0 H LEU A 8 5.616 7.681 0.413 1.00 0.00 H new ATOM 0 HA LEU A 8 5.969 7.193 -2.324 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.129 9.307 -0.471 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.241 9.371 -2.219 1.00 0.00 H new ATOM 0 HG LEU A 8 4.499 8.994 -1.232 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.226 11.335 -0.489 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.327 10.426 0.573 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.985 11.572 -0.619 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.064 10.807 -2.859 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.818 11.020 -3.075 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.038 9.498 -3.570 1.00 0.00 H new ATOM 453 N THR A 9 8.784 7.124 -0.572 1.00 0.00 N ATOM 454 CA THR A 9 10.155 6.626 -0.580 1.00 0.00 C ATOM 455 C THR A 9 10.187 5.116 -0.796 1.00 0.00 C ATOM 456 O THR A 9 11.147 4.579 -1.349 1.00 0.00 O ATOM 457 CB THR A 9 10.855 6.979 0.734 1.00 0.00 C ATOM 458 OG1 THR A 9 10.224 6.336 1.826 1.00 0.00 O ATOM 459 CG2 THR A 9 10.872 8.464 1.021 1.00 0.00 C ATOM 0 H THR A 9 8.527 7.637 0.271 1.00 0.00 H new ATOM 0 HA THR A 9 10.682 7.103 -1.406 1.00 0.00 H new ATOM 0 HB THR A 9 11.883 6.637 0.616 1.00 0.00 H new ATOM 0 HG1 THR A 9 10.687 6.573 2.657 1.00 0.00 H new ATOM 0 HG21 THR A 9 11.383 8.646 1.967 1.00 0.00 H new ATOM 0 HG22 THR A 9 11.397 8.984 0.219 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.849 8.834 1.084 1.00 0.00 H new ATOM 467 N GLY A 10 9.133 4.436 -0.355 1.00 0.00 N ATOM 468 CA GLY A 10 9.063 2.994 -0.510 1.00 0.00 C ATOM 469 C GLY A 10 8.867 2.269 0.810 1.00 0.00 C ATOM 470 O GLY A 10 8.721 1.047 0.835 1.00 0.00 O ATOM 0 H GLY A 10 8.327 4.857 0.107 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.241 2.745 -1.182 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.979 2.639 -0.982 1.00 0.00 H new ATOM 474 N LYS A 11 8.862 3.018 1.911 1.00 0.00 N ATOM 475 CA LYS A 11 8.683 2.431 3.233 1.00 0.00 C ATOM 476 C LYS A 11 7.382 1.639 3.308 1.00 0.00 C ATOM 477 O LYS A 11 6.292 2.209 3.274 1.00 0.00 O ATOM 478 CB LYS A 11 8.688 3.521 4.307 1.00 0.00 C ATOM 479 CG LYS A 11 8.516 2.984 5.719 1.00 0.00 C ATOM 480 CD LYS A 11 9.830 2.517 6.307 1.00 0.00 C ATOM 481 CE LYS A 11 9.772 1.055 6.723 1.00 0.00 C ATOM 482 NZ LYS A 11 11.123 0.428 6.739 1.00 0.00 N1+ ATOM 0 H LYS A 11 8.980 4.031 1.912 1.00 0.00 H new ATOM 0 HA LYS A 11 9.515 1.750 3.411 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.626 4.073 4.249 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.888 4.230 4.097 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.089 3.761 6.354 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.808 2.156 5.709 1.00 0.00 H new ATOM 0 HD2 LYS A 11 10.626 2.656 5.575 1.00 0.00 H new ATOM 0 HD3 LYS A 11 10.081 3.132 7.171 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.324 0.977 7.714 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.126 0.508 6.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.040 -0.568 7.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.541 0.479 5.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.733 0.934 7.413 1.00 0.00 H new ATOM 496 N THR A 12 7.508 0.321 3.417 1.00 0.00 N ATOM 497 CA THR A 12 6.346 -0.557 3.503 1.00 0.00 C ATOM 498 C THR A 12 6.237 -1.165 4.897 1.00 0.00 C ATOM 499 O THR A 12 7.128 -1.895 5.334 1.00 0.00 O ATOM 500 CB THR A 12 6.440 -1.668 2.454 1.00 0.00 C ATOM 501 OG1 THR A 12 7.378 -1.331 1.447 1.00 0.00 O ATOM 502 CG2 THR A 12 5.122 -1.961 1.772 1.00 0.00 C ATOM 0 H THR A 12 8.405 -0.164 3.448 1.00 0.00 H new ATOM 0 HA THR A 12 5.453 0.037 3.310 1.00 0.00 H new ATOM 0 HB THR A 12 6.752 -2.556 3.003 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.424 -2.054 0.788 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.260 -2.758 1.041 1.00 0.00 H new ATOM 0 HG22 THR A 12 4.389 -2.274 2.516 1.00 0.00 H new ATOM 0 HG23 THR A 12 4.766 -1.063 1.267 1.00 0.00 H new ATOM 510 N ILE A 13 5.150 -0.856 5.599 1.00 0.00 N ATOM 511 CA ILE A 13 4.953 -1.378 6.948 1.00 0.00 C ATOM 512 C ILE A 13 3.745 -2.305 7.036 1.00 0.00 C ATOM 513 O ILE A 13 2.703 -2.051 6.431 1.00 0.00 O ATOM 514 CB ILE A 13 4.780 -0.248 7.977 1.00 0.00 C ATOM 515 CG1 ILE A 13 6.039 0.593 8.063 1.00 0.00 C ATOM 516 CG2 ILE A 13 4.468 -0.832 9.333 1.00 0.00 C ATOM 517 CD1 ILE A 13 7.249 -0.209 8.434 1.00 0.00 C ATOM 0 H ILE A 13 4.400 -0.253 5.261 1.00 0.00 H new ATOM 0 HA ILE A 13 5.854 -1.946 7.179 1.00 0.00 H new ATOM 0 HB ILE A 13 3.955 0.388 7.656 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.212 1.080 7.103 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.893 1.383 8.799 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.347 -0.026 10.057 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.546 -1.411 9.276 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.285 -1.481 9.646 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.119 0.446 8.480 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.093 -0.674 9.407 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.416 -0.983 7.685 1.00 0.00 H new ATOM 529 N THR A 14 3.896 -3.379 7.807 1.00 0.00 N ATOM 530 CA THR A 14 2.823 -4.346 7.995 1.00 0.00 C ATOM 531 C THR A 14 1.778 -3.789 8.952 1.00 0.00 C ATOM 532 O THR A 14 2.036 -3.624 10.143 1.00 0.00 O ATOM 533 CB THR A 14 3.377 -5.665 8.536 1.00 0.00 C ATOM 534 OG1 THR A 14 4.762 -5.776 8.267 1.00 0.00 O ATOM 535 CG2 THR A 14 2.695 -6.883 7.954 1.00 0.00 C ATOM 0 H THR A 14 4.754 -3.600 8.312 1.00 0.00 H new ATOM 0 HA THR A 14 2.356 -4.536 7.029 1.00 0.00 H new ATOM 0 HB THR A 14 3.186 -5.640 9.609 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.916 -5.692 7.303 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.135 -7.785 8.380 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.631 -6.852 8.190 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.826 -6.891 6.872 1.00 0.00 H new ATOM 543 N LEU A 15 0.602 -3.488 8.420 1.00 0.00 N ATOM 544 CA LEU A 15 -0.478 -2.936 9.223 1.00 0.00 C ATOM 545 C LEU A 15 -1.750 -3.764 9.070 1.00 0.00 C ATOM 546 O LEU A 15 -2.156 -4.103 7.957 1.00 0.00 O ATOM 547 CB LEU A 15 -0.726 -1.482 8.817 1.00 0.00 C ATOM 548 CG LEU A 15 -1.394 -0.610 9.879 1.00 0.00 C ATOM 549 CD1 LEU A 15 -2.710 -1.224 10.322 1.00 0.00 C ATOM 550 CD2 LEU A 15 -0.466 -0.413 11.068 1.00 0.00 C ATOM 0 H LEU A 15 0.372 -3.617 7.435 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.188 -2.968 10.273 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.229 -1.030 8.548 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.347 -1.473 7.921 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.602 0.367 9.442 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.171 -0.589 11.079 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.378 -1.311 9.465 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.527 -2.213 10.741 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.958 0.210 11.814 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.225 -1.382 11.506 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.451 0.074 10.737 1.00 0.00 H new ATOM 562 N GLU A 16 -2.371 -4.092 10.199 1.00 0.00 N ATOM 563 CA GLU A 16 -3.591 -4.887 10.201 1.00 0.00 C ATOM 564 C GLU A 16 -4.825 -3.998 10.084 1.00 0.00 C ATOM 565 O GLU A 16 -4.980 -3.029 10.828 1.00 0.00 O ATOM 566 CB GLU A 16 -3.669 -5.723 11.481 1.00 0.00 C ATOM 567 CG GLU A 16 -3.437 -7.201 11.256 1.00 0.00 C ATOM 568 CD GLU A 16 -1.973 -7.536 11.045 1.00 0.00 C ATOM 569 OE1 GLU A 16 -1.285 -6.771 10.337 1.00 0.00 O ATOM 570 OE2 GLU A 16 -1.514 -8.563 11.590 1.00 0.00 O1- ATOM 0 H GLU A 16 -2.047 -3.818 11.126 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.566 -5.551 9.337 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.931 -5.352 12.192 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.649 -5.583 11.937 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.814 -7.759 12.113 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.009 -7.527 10.387 1.00 0.00 H new ATOM 577 N VAL A 17 -5.703 -4.338 9.146 1.00 0.00 N ATOM 578 CA VAL A 17 -6.929 -3.578 8.929 1.00 0.00 C ATOM 579 C VAL A 17 -7.999 -4.443 8.274 1.00 0.00 C ATOM 580 O VAL A 17 -7.814 -4.945 7.166 1.00 0.00 O ATOM 581 CB VAL A 17 -6.676 -2.340 8.049 1.00 0.00 C ATOM 582 CG1 VAL A 17 -5.959 -1.260 8.840 1.00 0.00 C ATOM 583 CG2 VAL A 17 -5.883 -2.722 6.809 1.00 0.00 C ATOM 0 H VAL A 17 -5.588 -5.137 8.522 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.277 -3.251 9.909 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.638 -1.941 7.728 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.789 -0.393 8.201 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.571 -0.967 9.693 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.002 -1.643 9.194 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.713 -1.835 6.198 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.924 -3.147 7.107 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.442 -3.458 6.232 1.00 0.00 H new ATOM 593 N GLU A 18 -9.120 -4.615 8.967 1.00 0.00 N ATOM 594 CA GLU A 18 -10.220 -5.421 8.452 1.00 0.00 C ATOM 595 C GLU A 18 -10.759 -4.839 7.146 1.00 0.00 C ATOM 596 O GLU A 18 -10.871 -3.621 7.003 1.00 0.00 O ATOM 597 CB GLU A 18 -11.345 -5.507 9.487 1.00 0.00 C ATOM 598 CG GLU A 18 -10.999 -6.366 10.692 1.00 0.00 C ATOM 599 CD GLU A 18 -12.223 -6.781 11.483 1.00 0.00 C ATOM 600 OE1 GLU A 18 -13.172 -5.974 11.574 1.00 0.00 O ATOM 601 OE2 GLU A 18 -12.234 -7.913 12.010 1.00 0.00 O1- ATOM 0 H GLU A 18 -9.290 -4.207 9.886 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.840 -6.423 8.253 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.592 -4.501 9.827 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.238 -5.910 9.008 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.468 -7.257 10.358 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.320 -5.815 11.343 1.00 0.00 H new ATOM 608 N PRO A 19 -11.102 -5.701 6.172 1.00 0.00 N ATOM 609 CA PRO A 19 -11.630 -5.257 4.877 1.00 0.00 C ATOM 610 C PRO A 19 -12.862 -4.372 5.030 1.00 0.00 C ATOM 611 O PRO A 19 -13.137 -3.523 4.182 1.00 0.00 O ATOM 612 CB PRO A 19 -11.997 -6.563 4.167 1.00 0.00 C ATOM 613 CG PRO A 19 -11.157 -7.605 4.822 1.00 0.00 C ATOM 614 CD PRO A 19 -11.003 -7.171 6.252 1.00 0.00 C ATOM 0 HA PRO A 19 -10.906 -4.652 4.331 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.058 -6.786 4.274 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.790 -6.503 3.098 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -11.631 -8.585 4.760 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.187 -7.689 4.333 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -11.782 -7.593 6.887 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.047 -7.488 6.668 1.00 0.00 H new ATOM 622 N SER A 20 -13.603 -4.578 6.114 1.00 0.00 N ATOM 623 CA SER A 20 -14.808 -3.801 6.376 1.00 0.00 C ATOM 624 C SER A 20 -14.516 -2.641 7.325 1.00 0.00 C ATOM 625 O SER A 20 -15.304 -2.348 8.224 1.00 0.00 O ATOM 626 CB SER A 20 -15.898 -4.697 6.966 1.00 0.00 C ATOM 627 OG SER A 20 -16.302 -5.688 6.039 1.00 0.00 O ATOM 0 H SER A 20 -13.389 -5.277 6.825 1.00 0.00 H new ATOM 0 HA SER A 20 -15.157 -3.390 5.429 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.529 -5.173 7.874 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.757 -4.090 7.251 1.00 0.00 H new ATOM 0 HG SER A 20 -16.998 -6.248 6.442 1.00 0.00 H new ATOM 633 N ASP A 21 -13.380 -1.983 7.116 1.00 0.00 N ATOM 634 CA ASP A 21 -12.986 -0.855 7.952 1.00 0.00 C ATOM 635 C ASP A 21 -12.637 0.358 7.097 1.00 0.00 C ATOM 636 O ASP A 21 -11.950 0.238 6.083 1.00 0.00 O ATOM 637 CB ASP A 21 -11.793 -1.234 8.831 1.00 0.00 C ATOM 638 CG ASP A 21 -12.194 -2.099 10.009 1.00 0.00 C ATOM 639 OD1 ASP A 21 -13.153 -2.886 9.868 1.00 0.00 O ATOM 640 OD2 ASP A 21 -11.549 -1.988 11.074 1.00 0.00 O1- ATOM 0 H ASP A 21 -12.717 -2.211 6.375 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.830 -0.597 8.591 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.056 -1.765 8.229 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -11.312 -0.327 9.197 1.00 0.00 H new ATOM 645 N THR A 22 -13.115 1.527 7.512 1.00 0.00 N ATOM 646 CA THR A 22 -12.853 2.762 6.784 1.00 0.00 C ATOM 647 C THR A 22 -11.365 3.094 6.804 1.00 0.00 C ATOM 648 O THR A 22 -10.618 2.599 7.648 1.00 0.00 O ATOM 649 CB THR A 22 -13.654 3.916 7.388 1.00 0.00 C ATOM 650 OG1 THR A 22 -13.344 4.078 8.761 1.00 0.00 O ATOM 651 CG2 THR A 22 -15.151 3.728 7.275 1.00 0.00 C ATOM 0 H THR A 22 -13.686 1.644 8.349 1.00 0.00 H new ATOM 0 HA THR A 22 -13.164 2.619 5.749 1.00 0.00 H new ATOM 0 HB THR A 22 -13.370 4.797 6.813 1.00 0.00 H new ATOM 0 HG1 THR A 22 -13.865 4.822 9.128 1.00 0.00 H new ATOM 0 HG21 THR A 22 -15.660 4.582 7.723 1.00 0.00 H new ATOM 0 HG22 THR A 22 -15.430 3.650 6.224 1.00 0.00 H new ATOM 0 HG23 THR A 22 -15.444 2.817 7.797 1.00 0.00 H new ATOM 659 N ILE A 23 -10.937 3.938 5.869 1.00 0.00 N ATOM 660 CA ILE A 23 -9.537 4.336 5.784 1.00 0.00 C ATOM 661 C ILE A 23 -9.074 4.994 7.079 1.00 0.00 C ATOM 662 O ILE A 23 -7.900 4.917 7.440 1.00 0.00 O ATOM 663 CB ILE A 23 -9.295 5.304 4.609 1.00 0.00 C ATOM 664 CG1 ILE A 23 -9.828 4.705 3.306 1.00 0.00 C ATOM 665 CG2 ILE A 23 -7.811 5.623 4.480 1.00 0.00 C ATOM 666 CD1 ILE A 23 -9.240 3.349 2.978 1.00 0.00 C ATOM 0 H ILE A 23 -11.539 4.358 5.161 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.960 3.427 5.616 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.832 6.232 4.808 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.912 4.615 3.374 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.616 5.392 2.487 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.657 6.308 3.646 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.457 6.087 5.401 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.255 4.703 4.301 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.663 2.986 2.042 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.158 3.436 2.877 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.475 2.647 3.779 1.00 0.00 H new ATOM 678 N GLU A 24 -10.004 5.642 7.774 1.00 0.00 N ATOM 679 CA GLU A 24 -9.687 6.313 9.030 1.00 0.00 C ATOM 680 C GLU A 24 -9.139 5.323 10.054 1.00 0.00 C ATOM 681 O GLU A 24 -8.189 5.628 10.774 1.00 0.00 O ATOM 682 CB GLU A 24 -10.929 7.009 9.590 1.00 0.00 C ATOM 683 CG GLU A 24 -10.609 8.166 10.522 1.00 0.00 C ATOM 684 CD GLU A 24 -11.801 9.073 10.755 1.00 0.00 C ATOM 685 OE1 GLU A 24 -12.290 9.674 9.775 1.00 0.00 O ATOM 686 OE2 GLU A 24 -12.245 9.183 11.917 1.00 0.00 O1- ATOM 0 H GLU A 24 -10.981 5.717 7.490 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.920 7.061 8.829 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.534 7.377 8.761 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.534 6.278 10.126 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.264 7.773 11.478 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.789 8.750 10.103 1.00 0.00 H new ATOM 693 N ASN A 25 -9.739 4.137 10.109 1.00 0.00 N ATOM 694 CA ASN A 25 -9.303 3.101 11.041 1.00 0.00 C ATOM 695 C ASN A 25 -7.882 2.654 10.717 1.00 0.00 C ATOM 696 O ASN A 25 -7.117 2.268 11.604 1.00 0.00 O ATOM 697 CB ASN A 25 -10.255 1.904 10.988 1.00 0.00 C ATOM 698 CG ASN A 25 -9.878 0.820 11.979 1.00 0.00 C ATOM 699 OD1 ASN A 25 -9.872 1.044 13.189 1.00 0.00 O ATOM 700 ND2 ASN A 25 -9.562 -0.364 11.467 1.00 0.00 N ATOM 0 H ASN A 25 -10.528 3.870 9.520 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.316 3.517 12.048 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.271 2.242 11.193 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.255 1.487 9.981 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.301 -1.133 12.084 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.581 -0.504 10.457 1.00 0.00 H new ATOM 707 N VAL A 26 -7.535 2.719 9.439 1.00 0.00 N ATOM 708 CA VAL A 26 -6.207 2.332 8.982 1.00 0.00 C ATOM 709 C VAL A 26 -5.205 3.417 9.324 1.00 0.00 C ATOM 710 O VAL A 26 -4.251 3.180 10.066 1.00 0.00 O ATOM 711 CB VAL A 26 -6.200 2.068 7.468 1.00 0.00 C ATOM 712 CG1 VAL A 26 -4.981 1.248 7.067 1.00 0.00 C ATOM 713 CG2 VAL A 26 -7.486 1.366 7.067 1.00 0.00 C ATOM 0 H VAL A 26 -8.158 3.038 8.697 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.927 1.409 9.490 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.142 3.021 6.942 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.998 1.074 5.991 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.074 1.791 7.333 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.998 0.292 7.590 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.479 1.180 5.993 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.564 0.418 7.599 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.339 1.996 7.321 1.00 0.00 H new ATOM 723 N LYS A 27 -5.450 4.628 8.828 1.00 0.00 N ATOM 724 CA LYS A 27 -4.583 5.753 9.145 1.00 0.00 C ATOM 725 C LYS A 27 -4.518 5.900 10.658 1.00 0.00 C ATOM 726 O LYS A 27 -3.552 6.420 11.214 1.00 0.00 O ATOM 727 CB LYS A 27 -5.109 7.042 8.505 1.00 0.00 C ATOM 728 CG LYS A 27 -5.080 7.028 6.985 1.00 0.00 C ATOM 729 CD LYS A 27 -3.794 6.414 6.456 1.00 0.00 C ATOM 730 CE LYS A 27 -3.696 6.540 4.944 1.00 0.00 C ATOM 731 NZ LYS A 27 -3.549 7.957 4.511 1.00 0.00 N1+ ATOM 0 H LYS A 27 -6.232 4.851 8.213 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.586 5.570 8.746 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.133 7.210 8.838 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.515 7.883 8.863 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.934 6.465 6.609 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.179 8.046 6.609 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.938 6.905 6.919 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.749 5.362 6.738 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.844 5.961 4.586 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.587 6.111 4.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.307 8.195 3.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.612 8.582 5.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.626 8.085 4.050 1.00 0.00 H new ATOM 745 N ALA A 28 -5.564 5.398 11.312 1.00 0.00 N ATOM 746 CA ALA A 28 -5.666 5.414 12.756 1.00 0.00 C ATOM 747 C ALA A 28 -4.558 4.562 13.361 1.00 0.00 C ATOM 748 O ALA A 28 -3.712 5.055 14.108 1.00 0.00 O ATOM 749 CB ALA A 28 -7.030 4.882 13.164 1.00 0.00 C ATOM 0 H ALA A 28 -6.364 4.969 10.846 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.556 6.434 13.124 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.114 4.891 14.251 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -7.809 5.511 12.735 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.146 3.861 12.800 1.00 0.00 H new ATOM 755 N LYS A 29 -4.563 3.278 13.013 1.00 0.00 N ATOM 756 CA LYS A 29 -3.550 2.353 13.501 1.00 0.00 C ATOM 757 C LYS A 29 -2.167 2.807 13.048 1.00 0.00 C ATOM 758 O LYS A 29 -1.214 2.807 13.827 1.00 0.00 O ATOM 759 CB LYS A 29 -3.833 0.938 12.996 1.00 0.00 C ATOM 760 CG LYS A 29 -5.160 0.375 13.476 1.00 0.00 C ATOM 761 CD LYS A 29 -5.322 -1.084 13.084 1.00 0.00 C ATOM 762 CE LYS A 29 -6.755 -1.397 12.683 1.00 0.00 C ATOM 763 NZ LYS A 29 -7.539 -1.959 13.816 1.00 0.00 N1+ ATOM 0 H LYS A 29 -5.257 2.857 12.396 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.580 2.344 14.591 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.822 0.941 11.906 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.029 0.278 13.321 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.226 0.471 14.560 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.978 0.959 13.054 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.652 -1.316 12.256 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.029 -1.721 13.919 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.238 -0.488 12.323 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.754 -2.106 11.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.451 -2.315 13.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.008 -2.739 14.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.707 -1.216 14.524 1.00 0.00 H new ATOM 777 N ILE A 30 -2.072 3.213 11.783 1.00 0.00 N ATOM 778 CA ILE A 30 -0.812 3.689 11.229 1.00 0.00 C ATOM 779 C ILE A 30 -0.345 4.934 11.977 1.00 0.00 C ATOM 780 O ILE A 30 0.852 5.189 12.099 1.00 0.00 O ATOM 781 CB ILE A 30 -0.938 4.016 9.723 1.00 0.00 C ATOM 782 CG1 ILE A 30 -1.353 2.768 8.944 1.00 0.00 C ATOM 783 CG2 ILE A 30 0.374 4.569 9.182 1.00 0.00 C ATOM 784 CD1 ILE A 30 -1.542 3.014 7.462 1.00 0.00 C ATOM 0 H ILE A 30 -2.852 3.221 11.126 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.081 2.889 11.347 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.707 4.778 9.598 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.597 1.995 9.082 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.283 2.382 9.361 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.265 4.793 8.121 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.634 5.481 9.720 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.164 3.830 9.317 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.836 2.085 6.974 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.319 3.763 7.314 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.607 3.371 7.030 1.00 0.00 H new ATOM 796 N GLN A 31 -1.308 5.702 12.481 1.00 0.00 N ATOM 797 CA GLN A 31 -1.010 6.919 13.224 1.00 0.00 C ATOM 798 C GLN A 31 -0.428 6.581 14.591 1.00 0.00 C ATOM 799 O GLN A 31 0.494 7.241 15.066 1.00 0.00 O ATOM 800 CB GLN A 31 -2.277 7.765 13.384 1.00 0.00 C ATOM 801 CG GLN A 31 -2.076 9.014 14.226 1.00 0.00 C ATOM 802 CD GLN A 31 -2.616 8.860 15.634 1.00 0.00 C ATOM 803 OE1 GLN A 31 -3.491 8.033 15.889 1.00 0.00 O ATOM 804 NE2 GLN A 31 -2.094 9.658 16.558 1.00 0.00 N ATOM 0 H GLN A 31 -2.303 5.500 12.387 1.00 0.00 H new ATOM 0 HA GLN A 31 -0.271 7.493 12.665 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -2.635 8.057 12.397 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -3.057 7.153 13.838 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -1.013 9.249 14.272 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -2.569 9.857 13.742 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -1.370 10.329 16.302 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -2.417 9.600 17.524 1.00 0.00 H new ATOM 813 N ASP A 32 -0.974 5.544 15.219 1.00 0.00 N ATOM 814 CA ASP A 32 -0.508 5.115 16.533 1.00 0.00 C ATOM 815 C ASP A 32 0.714 4.202 16.417 1.00 0.00 C ATOM 816 O ASP A 32 1.387 3.929 17.410 1.00 0.00 O ATOM 817 CB ASP A 32 -1.628 4.391 17.282 1.00 0.00 C ATOM 818 CG ASP A 32 -1.604 4.675 18.770 1.00 0.00 C ATOM 819 OD1 ASP A 32 -0.525 4.538 19.384 1.00 0.00 O1- ATOM 820 OD2 ASP A 32 -2.666 5.031 19.324 1.00 0.00 O ATOM 0 H ASP A 32 -1.739 4.986 14.839 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.218 6.005 17.091 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.591 4.695 16.872 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.536 3.317 17.118 1.00 0.00 H new ATOM 825 N LYS A 33 0.993 3.729 15.204 1.00 0.00 N ATOM 826 CA LYS A 33 2.131 2.845 14.974 1.00 0.00 C ATOM 827 C LYS A 33 3.328 3.616 14.422 1.00 0.00 C ATOM 828 O LYS A 33 4.477 3.238 14.650 1.00 0.00 O ATOM 829 CB LYS A 33 1.744 1.722 14.007 1.00 0.00 C ATOM 830 CG LYS A 33 1.478 0.392 14.693 1.00 0.00 C ATOM 831 CD LYS A 33 2.037 -0.770 13.895 1.00 0.00 C ATOM 832 CE LYS A 33 3.375 -1.236 14.446 1.00 0.00 C ATOM 833 NZ LYS A 33 3.209 -2.135 15.620 1.00 0.00 N1+ ATOM 0 H LYS A 33 0.448 3.943 14.369 1.00 0.00 H new ATOM 0 HA LYS A 33 2.416 2.412 15.933 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.853 2.021 13.455 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.543 1.591 13.277 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.924 0.399 15.687 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.404 0.259 14.827 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.328 -1.598 13.912 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.156 -0.473 12.853 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.928 -1.758 13.665 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.971 -0.370 14.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.144 -2.431 15.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.704 -1.629 16.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.662 -2.974 15.340 1.00 0.00 H new ATOM 847 N GLU A 34 3.054 4.690 13.688 1.00 0.00 N ATOM 848 CA GLU A 34 4.114 5.501 13.100 1.00 0.00 C ATOM 849 C GLU A 34 4.107 6.920 13.662 1.00 0.00 C ATOM 850 O GLU A 34 5.161 7.525 13.856 1.00 0.00 O ATOM 851 CB GLU A 34 3.964 5.545 11.579 1.00 0.00 C ATOM 852 CG GLU A 34 4.570 4.342 10.873 1.00 0.00 C ATOM 853 CD GLU A 34 4.246 4.311 9.392 1.00 0.00 C ATOM 854 OE1 GLU A 34 4.611 5.274 8.684 1.00 0.00 O ATOM 855 OE2 GLU A 34 3.629 3.324 8.940 1.00 0.00 O1- ATOM 0 H GLU A 34 2.109 5.018 13.487 1.00 0.00 H new ATOM 0 HA GLU A 34 5.067 5.039 13.357 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.905 5.608 11.328 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.435 6.453 11.202 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.652 4.355 11.004 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.203 3.428 11.341 1.00 0.00 H new ATOM 862 N GLY A 35 2.914 7.448 13.917 1.00 0.00 N ATOM 863 CA GLY A 35 2.801 8.795 14.448 1.00 0.00 C ATOM 864 C GLY A 35 2.451 9.808 13.377 1.00 0.00 C ATOM 865 O GLY A 35 2.812 10.981 13.480 1.00 0.00 O ATOM 0 H GLY A 35 2.026 6.969 13.766 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.038 8.814 15.226 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.743 9.078 14.919 1.00 0.00 H new ATOM 869 N ILE A 36 1.749 9.353 12.345 1.00 0.00 N ATOM 870 CA ILE A 36 1.351 10.224 11.245 1.00 0.00 C ATOM 871 C ILE A 36 -0.168 10.395 11.199 1.00 0.00 C ATOM 872 O ILE A 36 -0.891 9.464 10.845 1.00 0.00 O ATOM 873 CB ILE A 36 1.832 9.667 9.892 1.00 0.00 C ATOM 874 CG1 ILE A 36 3.316 9.305 9.963 1.00 0.00 C ATOM 875 CG2 ILE A 36 1.580 10.677 8.781 1.00 0.00 C ATOM 876 CD1 ILE A 36 3.812 8.547 8.751 1.00 0.00 C ATOM 0 H ILE A 36 1.443 8.385 12.247 1.00 0.00 H new ATOM 0 HA ILE A 36 1.818 11.193 11.422 1.00 0.00 H new ATOM 0 HB ILE A 36 1.267 8.762 9.668 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.900 10.219 10.074 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.493 8.704 10.855 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.926 10.268 7.832 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.513 10.889 8.717 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.121 11.598 8.997 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.872 8.324 8.870 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.254 7.616 8.651 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.667 9.155 7.858 1.00 0.00 H new ATOM 888 N PRO A 37 -0.674 11.589 11.557 1.00 0.00 N ATOM 889 CA PRO A 37 -2.116 11.866 11.551 1.00 0.00 C ATOM 890 C PRO A 37 -2.772 11.488 10.225 1.00 0.00 C ATOM 891 O PRO A 37 -2.120 11.474 9.182 1.00 0.00 O ATOM 892 CB PRO A 37 -2.188 13.378 11.773 1.00 0.00 C ATOM 893 CG PRO A 37 -0.936 13.711 12.506 1.00 0.00 C ATOM 894 CD PRO A 37 0.111 12.760 11.994 1.00 0.00 C ATOM 0 HA PRO A 37 -2.647 11.286 12.306 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.248 13.915 10.826 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.070 13.652 12.351 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.643 14.746 12.328 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.072 13.599 13.582 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.679 13.193 11.170 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.828 12.496 12.771 1.00 0.00 H new ATOM 902 N PRO A 38 -4.080 11.174 10.249 1.00 0.00 N ATOM 903 CA PRO A 38 -4.822 10.793 9.042 1.00 0.00 C ATOM 904 C PRO A 38 -4.738 11.852 7.948 1.00 0.00 C ATOM 905 O PRO A 38 -4.200 11.602 6.870 1.00 0.00 O ATOM 906 CB PRO A 38 -6.266 10.650 9.535 1.00 0.00 C ATOM 907 CG PRO A 38 -6.150 10.403 10.999 1.00 0.00 C ATOM 908 CD PRO A 38 -4.935 11.162 11.450 1.00 0.00 C ATOM 0 HA PRO A 38 -4.420 9.885 8.592 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.844 11.552 9.331 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.774 9.826 9.035 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.042 10.745 11.525 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.045 9.338 11.208 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.188 12.171 11.774 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.443 10.672 12.290 1.00 0.00 H new ATOM 916 N ASP A 39 -5.274 13.035 8.231 1.00 0.00 N ATOM 917 CA ASP A 39 -5.262 14.131 7.268 1.00 0.00 C ATOM 918 C ASP A 39 -3.837 14.504 6.867 1.00 0.00 C ATOM 919 O ASP A 39 -3.617 15.112 5.819 1.00 0.00 O ATOM 920 CB ASP A 39 -5.975 15.352 7.849 1.00 0.00 C ATOM 921 CG ASP A 39 -5.424 15.754 9.203 1.00 0.00 C ATOM 922 OD1 ASP A 39 -5.721 15.056 10.196 1.00 0.00 O1- ATOM 923 OD2 ASP A 39 -4.695 16.765 9.271 1.00 0.00 O ATOM 0 H ASP A 39 -5.722 13.259 9.119 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.789 13.796 6.375 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.878 16.189 7.157 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.040 15.137 7.942 1.00 0.00 H new ATOM 928 N GLN A 40 -2.871 14.145 7.708 1.00 0.00 N ATOM 929 CA GLN A 40 -1.470 14.452 7.438 1.00 0.00 C ATOM 930 C GLN A 40 -0.922 13.589 6.304 1.00 0.00 C ATOM 931 O GLN A 40 -0.045 14.019 5.555 1.00 0.00 O ATOM 932 CB GLN A 40 -0.630 14.248 8.700 1.00 0.00 C ATOM 933 CG GLN A 40 -0.559 15.480 9.589 1.00 0.00 C ATOM 934 CD GLN A 40 0.110 16.655 8.903 1.00 0.00 C ATOM 935 OE1 GLN A 40 1.224 16.538 8.390 1.00 0.00 O ATOM 936 NE2 GLN A 40 -0.567 17.797 8.891 1.00 0.00 N ATOM 0 H GLN A 40 -3.032 13.642 8.581 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.410 15.496 7.131 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.046 13.420 9.274 1.00 0.00 H new ATOM 0 HB3 GLN A 40 0.381 13.960 8.411 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -1.567 15.765 9.890 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -0.012 15.236 10.499 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -1.487 17.849 9.328 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -0.167 18.622 8.445 1.00 0.00 H new ATOM 945 N GLN A 41 -1.437 12.369 6.186 1.00 0.00 N ATOM 946 CA GLN A 41 -0.987 11.450 5.145 1.00 0.00 C ATOM 947 C GLN A 41 -2.166 10.893 4.352 1.00 0.00 C ATOM 948 O GLN A 41 -3.177 10.487 4.925 1.00 0.00 O ATOM 949 CB GLN A 41 -0.187 10.303 5.763 1.00 0.00 C ATOM 950 CG GLN A 41 -1.014 9.401 6.666 1.00 0.00 C ATOM 951 CD GLN A 41 -0.157 8.505 7.538 1.00 0.00 C ATOM 952 OE1 GLN A 41 0.998 8.227 7.217 1.00 0.00 O ATOM 953 NE2 GLN A 41 -0.722 8.046 8.650 1.00 0.00 N ATOM 0 H GLN A 41 -2.164 11.994 6.796 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.348 12.007 4.460 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.248 9.703 4.964 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.641 10.717 6.338 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.653 10.015 7.300 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.672 8.784 6.053 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.683 8.302 8.877 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.195 7.438 9.276 1.00 0.00 H new ATOM 962 N ARG A 42 -2.025 10.872 3.030 1.00 0.00 N ATOM 963 CA ARG A 42 -3.074 10.358 2.157 1.00 0.00 C ATOM 964 C ARG A 42 -2.802 8.904 1.785 1.00 0.00 C ATOM 965 O ARG A 42 -1.761 8.349 2.136 1.00 0.00 O ATOM 966 CB ARG A 42 -3.175 11.210 0.889 1.00 0.00 C ATOM 967 CG ARG A 42 -3.369 12.689 1.160 1.00 0.00 C ATOM 968 CD ARG A 42 -4.744 12.977 1.741 1.00 0.00 C ATOM 969 NE ARG A 42 -4.856 12.536 3.129 1.00 0.00 N ATOM 970 CZ ARG A 42 -6.015 12.326 3.750 1.00 0.00 C ATOM 971 NH1 ARG A 42 -7.163 12.527 3.113 1.00 0.00 N1+ ATOM 972 NH2 ARG A 42 -6.026 11.919 5.012 1.00 0.00 N ATOM 0 H ARG A 42 -1.195 11.205 2.540 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.020 10.408 2.696 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.269 11.074 0.298 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.007 10.849 0.285 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -2.601 13.036 1.852 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.240 13.249 0.234 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -4.945 14.047 1.683 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.503 12.477 1.140 1.00 0.00 H new ATOM 0 HE ARG A 42 -3.995 12.380 3.654 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.160 12.844 2.143 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.048 12.365 3.593 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.147 11.767 5.507 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.914 11.758 5.488 1.00 0.00 H new ATOM 986 N LEU A 43 -3.742 8.292 1.071 1.00 0.00 N ATOM 987 CA LEU A 43 -3.596 6.903 0.653 1.00 0.00 C ATOM 988 C LEU A 43 -4.169 6.689 -0.743 1.00 0.00 C ATOM 989 O LEU A 43 -5.236 7.207 -1.075 1.00 0.00 O ATOM 990 CB LEU A 43 -4.288 5.971 1.653 1.00 0.00 C ATOM 991 CG LEU A 43 -3.533 4.687 1.976 1.00 0.00 C ATOM 992 CD1 LEU A 43 -2.127 5.017 2.421 1.00 0.00 C ATOM 993 CD2 LEU A 43 -4.267 3.884 3.042 1.00 0.00 C ATOM 0 H LEU A 43 -4.610 8.735 0.771 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.532 6.669 0.626 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.454 6.519 2.581 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.269 5.707 1.259 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.479 4.074 1.077 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.592 4.095 2.651 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.608 5.549 1.623 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.165 5.646 3.311 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.711 2.972 3.257 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.353 4.479 3.951 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.263 3.625 2.682 1.00 0.00 H new ATOM 1005 N ILE A 44 -3.453 5.921 -1.558 1.00 0.00 N ATOM 1006 CA ILE A 44 -3.887 5.636 -2.920 1.00 0.00 C ATOM 1007 C ILE A 44 -3.642 4.173 -3.277 1.00 0.00 C ATOM 1008 O ILE A 44 -2.622 3.595 -2.899 1.00 0.00 O ATOM 1009 CB ILE A 44 -3.163 6.532 -3.942 1.00 0.00 C ATOM 1010 CG1 ILE A 44 -3.243 7.999 -3.517 1.00 0.00 C ATOM 1011 CG2 ILE A 44 -3.760 6.344 -5.330 1.00 0.00 C ATOM 1012 CD1 ILE A 44 -2.267 8.896 -4.248 1.00 0.00 C ATOM 0 H ILE A 44 -2.569 5.485 -1.298 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.956 5.845 -2.962 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.113 6.241 -3.976 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.256 8.363 -3.688 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.055 8.069 -2.446 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.237 6.984 -6.041 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.654 5.303 -5.634 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.817 6.611 -5.311 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.381 9.921 -3.895 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.249 8.557 -4.057 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.468 8.856 -5.319 1.00 0.00 H new ATOM 1024 N PHE A 45 -4.582 3.581 -4.005 1.00 0.00 N ATOM 1025 CA PHE A 45 -4.467 2.185 -4.411 1.00 0.00 C ATOM 1026 C PHE A 45 -5.221 1.933 -5.713 1.00 0.00 C ATOM 1027 O PHE A 45 -6.382 2.315 -5.854 1.00 0.00 O ATOM 1028 CB PHE A 45 -5.003 1.267 -3.312 1.00 0.00 C ATOM 1029 CG PHE A 45 -4.753 -0.191 -3.573 1.00 0.00 C ATOM 1030 CD1 PHE A 45 -3.460 -0.690 -3.607 1.00 0.00 C ATOM 1031 CD2 PHE A 45 -5.808 -1.063 -3.783 1.00 0.00 C ATOM 1032 CE1 PHE A 45 -3.226 -2.031 -3.846 1.00 0.00 C ATOM 1033 CE2 PHE A 45 -5.581 -2.405 -4.024 1.00 0.00 C ATOM 1034 CZ PHE A 45 -4.287 -2.889 -4.055 1.00 0.00 C ATOM 0 H PHE A 45 -5.432 4.045 -4.326 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.412 1.966 -4.575 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -4.542 1.542 -2.363 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.075 1.430 -3.205 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.626 -0.023 -3.445 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.821 -0.690 -3.758 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.214 -2.407 -3.869 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -6.413 -3.074 -4.188 1.00 0.00 H new ATOM 0 HZ PHE A 45 -4.106 -3.937 -4.242 1.00 0.00 H new ATOM 1044 N ALA A 46 -4.552 1.284 -6.662 1.00 0.00 N ATOM 1045 CA ALA A 46 -5.158 0.979 -7.953 1.00 0.00 C ATOM 1046 C ALA A 46 -5.657 2.246 -8.641 1.00 0.00 C ATOM 1047 O ALA A 46 -6.710 2.244 -9.279 1.00 0.00 O ATOM 1048 CB ALA A 46 -6.298 -0.013 -7.779 1.00 0.00 C ATOM 0 H ALA A 46 -3.590 0.960 -6.561 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.393 0.531 -8.588 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.741 -0.232 -8.750 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.915 -0.934 -7.339 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.056 0.415 -7.122 1.00 0.00 H new ATOM 1054 N GLY A 47 -4.896 3.326 -8.503 1.00 0.00 N ATOM 1055 CA GLY A 47 -5.278 4.585 -9.116 1.00 0.00 C ATOM 1056 C GLY A 47 -6.565 5.142 -8.540 1.00 0.00 C ATOM 1057 O GLY A 47 -7.279 5.889 -9.209 1.00 0.00 O ATOM 0 H GLY A 47 -4.022 3.352 -7.978 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.477 5.311 -8.977 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.396 4.442 -10.190 1.00 0.00 H new ATOM 1061 N LYS A 48 -6.863 4.778 -7.296 1.00 0.00 N ATOM 1062 CA LYS A 48 -8.072 5.247 -6.631 1.00 0.00 C ATOM 1063 C LYS A 48 -7.732 5.979 -5.337 1.00 0.00 C ATOM 1064 O LYS A 48 -6.830 5.577 -4.602 1.00 0.00 O ATOM 1065 CB LYS A 48 -9.005 4.071 -6.334 1.00 0.00 C ATOM 1066 CG LYS A 48 -9.603 3.439 -7.581 1.00 0.00 C ATOM 1067 CD LYS A 48 -9.845 1.950 -7.389 1.00 0.00 C ATOM 1068 CE LYS A 48 -10.573 1.347 -8.580 1.00 0.00 C ATOM 1069 NZ LYS A 48 -11.346 0.133 -8.201 1.00 0.00 N1+ ATOM 0 H LYS A 48 -6.283 4.160 -6.729 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.577 5.944 -7.300 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.453 3.311 -5.780 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.813 4.413 -5.687 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.543 3.933 -7.826 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.932 3.594 -8.426 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.892 1.440 -7.247 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.430 1.789 -6.484 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.248 2.089 -9.006 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.851 1.090 -9.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.828 -0.248 -9.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.699 -0.585 -7.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.053 0.382 -7.480 1.00 0.00 H new ATOM 1083 N GLN A 49 -8.460 7.057 -5.064 1.00 0.00 N ATOM 1084 CA GLN A 49 -8.236 7.847 -3.860 1.00 0.00 C ATOM 1085 C GLN A 49 -8.900 7.196 -2.650 1.00 0.00 C ATOM 1086 O GLN A 49 -10.121 7.048 -2.605 1.00 0.00 O ATOM 1087 CB GLN A 49 -8.773 9.267 -4.048 1.00 0.00 C ATOM 1088 CG GLN A 49 -10.200 9.313 -4.570 1.00 0.00 C ATOM 1089 CD GLN A 49 -10.266 9.556 -6.064 1.00 0.00 C ATOM 1090 OE1 GLN A 49 -9.884 8.700 -6.862 1.00 0.00 O ATOM 1091 NE2 GLN A 49 -10.753 10.729 -6.453 1.00 0.00 N ATOM 0 H GLN A 49 -9.211 7.403 -5.661 1.00 0.00 H new ATOM 0 HA GLN A 49 -7.162 7.893 -3.682 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -8.726 9.793 -3.095 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.124 9.803 -4.740 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -10.699 8.373 -4.336 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.747 10.101 -4.053 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -11.058 11.410 -5.758 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -10.822 10.949 -7.447 1.00 0.00 H new ATOM 1100 N LEU A 50 -8.087 6.809 -1.673 1.00 0.00 N ATOM 1101 CA LEU A 50 -8.595 6.174 -0.463 1.00 0.00 C ATOM 1102 C LEU A 50 -9.085 7.221 0.535 1.00 0.00 C ATOM 1103 O LEU A 50 -8.391 7.549 1.497 1.00 0.00 O ATOM 1104 CB LEU A 50 -7.507 5.308 0.177 1.00 0.00 C ATOM 1105 CG LEU A 50 -7.665 3.802 -0.041 1.00 0.00 C ATOM 1106 CD1 LEU A 50 -7.608 3.465 -1.523 1.00 0.00 C ATOM 1107 CD2 LEU A 50 -6.602 3.037 0.725 1.00 0.00 C ATOM 0 H LEU A 50 -7.074 6.924 -1.696 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.438 5.540 -0.739 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.539 5.617 -0.218 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.491 5.505 1.249 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.642 3.502 0.339 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.722 2.389 -1.656 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.413 3.983 -2.045 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.648 3.781 -1.931 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.731 1.968 0.557 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.614 3.342 0.379 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.696 3.251 1.790 1.00 0.00 H new ATOM 1119 N GLU A 51 -10.285 7.740 0.299 1.00 0.00 N ATOM 1120 CA GLU A 51 -10.869 8.748 1.176 1.00 0.00 C ATOM 1121 C GLU A 51 -11.017 8.214 2.596 1.00 0.00 C ATOM 1122 O GLU A 51 -11.181 7.013 2.804 1.00 0.00 O ATOM 1123 CB GLU A 51 -12.232 9.194 0.641 1.00 0.00 C ATOM 1124 CG GLU A 51 -12.166 9.828 -0.739 1.00 0.00 C ATOM 1125 CD GLU A 51 -13.536 10.179 -1.284 1.00 0.00 C ATOM 1126 OE1 GLU A 51 -14.287 10.895 -0.588 1.00 0.00 O ATOM 1127 OE2 GLU A 51 -13.859 9.739 -2.408 1.00 0.00 O1- ATOM 0 H GLU A 51 -10.873 7.479 -0.493 1.00 0.00 H new ATOM 0 HA GLU A 51 -10.197 9.606 1.198 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -12.898 8.332 0.604 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -12.671 9.907 1.339 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -11.556 10.730 -0.692 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -11.670 9.143 -1.426 1.00 0.00 H new ATOM 1134 N ASP A 52 -10.958 9.115 3.573 1.00 0.00 N ATOM 1135 CA ASP A 52 -11.084 8.736 4.976 1.00 0.00 C ATOM 1136 C ASP A 52 -12.350 7.914 5.212 1.00 0.00 C ATOM 1137 O ASP A 52 -12.397 7.074 6.111 1.00 0.00 O ATOM 1138 CB ASP A 52 -11.100 9.982 5.864 1.00 0.00 C ATOM 1139 CG ASP A 52 -9.705 10.440 6.243 1.00 0.00 C ATOM 1140 OD1 ASP A 52 -8.768 10.210 5.448 1.00 0.00 O1- ATOM 1141 OD2 ASP A 52 -9.549 11.029 7.333 1.00 0.00 O ATOM 0 H ASP A 52 -10.823 10.114 3.418 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.222 8.122 5.236 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.616 10.789 5.343 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -11.669 9.772 6.770 1.00 0.00 H new ATOM 1146 N GLY A 53 -13.371 8.164 4.401 1.00 0.00 N ATOM 1147 CA GLY A 53 -14.621 7.439 4.539 1.00 0.00 C ATOM 1148 C GLY A 53 -14.820 6.411 3.441 1.00 0.00 C ATOM 1149 O GLY A 53 -15.778 6.491 2.674 1.00 0.00 O ATOM 0 H GLY A 53 -13.356 8.855 3.651 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.643 6.940 5.508 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -15.451 8.146 4.526 1.00 0.00 H new ATOM 1153 N ARG A 54 -13.911 5.443 3.367 1.00 0.00 N ATOM 1154 CA ARG A 54 -13.991 4.397 2.355 1.00 0.00 C ATOM 1155 C ARG A 54 -13.448 3.077 2.891 1.00 0.00 C ATOM 1156 O ARG A 54 -12.502 3.059 3.678 1.00 0.00 O ATOM 1157 CB ARG A 54 -13.217 4.810 1.102 1.00 0.00 C ATOM 1158 CG ARG A 54 -13.969 5.792 0.219 1.00 0.00 C ATOM 1159 CD ARG A 54 -15.103 5.113 -0.530 1.00 0.00 C ATOM 1160 NE ARG A 54 -14.716 4.735 -1.887 1.00 0.00 N ATOM 1161 CZ ARG A 54 -14.666 5.588 -2.908 1.00 0.00 C ATOM 1162 NH1 ARG A 54 -14.977 6.866 -2.730 1.00 0.00 N1+ ATOM 1163 NH2 ARG A 54 -14.303 5.162 -4.109 1.00 0.00 N ATOM 0 H ARG A 54 -13.112 5.362 3.995 1.00 0.00 H new ATOM 0 HA ARG A 54 -15.040 4.258 2.096 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -12.269 5.256 1.401 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -12.981 3.919 0.521 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -14.369 6.601 0.831 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -13.279 6.243 -0.494 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -15.418 4.225 0.018 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -15.962 5.783 -0.572 1.00 0.00 H new ATOM 0 HE ARG A 54 -14.470 3.761 -2.062 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -15.256 7.199 -1.807 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -14.937 7.515 -3.516 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -14.062 4.181 -4.251 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -14.265 5.815 -4.892 1.00 0.00 H new ATOM 1177 N THR A 55 -14.051 1.975 2.461 1.00 0.00 N ATOM 1178 CA THR A 55 -13.628 0.650 2.898 1.00 0.00 C ATOM 1179 C THR A 55 -12.447 0.153 2.071 1.00 0.00 C ATOM 1180 O THR A 55 -11.987 0.834 1.154 1.00 0.00 O ATOM 1181 CB THR A 55 -14.789 -0.341 2.796 1.00 0.00 C ATOM 1182 OG1 THR A 55 -15.253 -0.434 1.460 1.00 0.00 O ATOM 1183 CG2 THR A 55 -15.969 0.029 3.668 1.00 0.00 C ATOM 0 H THR A 55 -14.836 1.973 1.809 1.00 0.00 H new ATOM 0 HA THR A 55 -13.313 0.724 3.939 1.00 0.00 H new ATOM 0 HB THR A 55 -14.388 -1.294 3.141 1.00 0.00 H new ATOM 0 HG1 THR A 55 -15.994 -1.074 1.415 1.00 0.00 H new ATOM 0 HG21 THR A 55 -16.757 -0.715 3.549 1.00 0.00 H new ATOM 0 HG22 THR A 55 -15.655 0.060 4.711 1.00 0.00 H new ATOM 0 HG23 THR A 55 -16.346 1.008 3.373 1.00 0.00 H new ATOM 1191 N LEU A 56 -11.960 -1.038 2.402 1.00 0.00 N ATOM 1192 CA LEU A 56 -10.831 -1.628 1.692 1.00 0.00 C ATOM 1193 C LEU A 56 -11.301 -2.472 0.512 1.00 0.00 C ATOM 1194 O LEU A 56 -10.700 -2.445 -0.563 1.00 0.00 O ATOM 1195 CB LEU A 56 -9.994 -2.477 2.640 1.00 0.00 C ATOM 1196 CG LEU A 56 -9.581 -1.796 3.946 1.00 0.00 C ATOM 1197 CD1 LEU A 56 -8.200 -2.239 4.349 1.00 0.00 C ATOM 1198 CD2 LEU A 56 -9.574 -0.294 3.805 1.00 0.00 C ATOM 0 H LEU A 56 -12.330 -1.614 3.158 1.00 0.00 H new ATOM 0 HA LEU A 56 -10.217 -0.814 1.306 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -10.555 -3.379 2.883 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.093 -2.794 2.116 1.00 0.00 H new ATOM 0 HG LEU A 56 -10.309 -2.082 4.705 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.917 -1.747 5.280 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.192 -3.320 4.492 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.489 -1.971 3.567 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.276 0.159 4.751 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.868 -0.005 3.026 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -10.572 0.051 3.536 1.00 0.00 H new ATOM 1210 N SER A 57 -12.378 -3.223 0.719 1.00 0.00 N ATOM 1211 CA SER A 57 -12.929 -4.076 -0.328 1.00 0.00 C ATOM 1212 C SER A 57 -13.281 -3.263 -1.569 1.00 0.00 C ATOM 1213 O SER A 57 -13.254 -3.776 -2.688 1.00 0.00 O ATOM 1214 CB SER A 57 -14.172 -4.809 0.185 1.00 0.00 C ATOM 1215 OG SER A 57 -14.750 -5.606 -0.835 1.00 0.00 O ATOM 0 H SER A 57 -12.887 -3.258 1.602 1.00 0.00 H new ATOM 0 HA SER A 57 -12.169 -4.808 -0.601 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.903 -5.438 1.034 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.903 -4.085 0.544 1.00 0.00 H new ATOM 0 HG SER A 57 -15.541 -6.065 -0.483 1.00 0.00 H new ATOM 1221 N ASP A 58 -13.612 -1.992 -1.365 1.00 0.00 N ATOM 1222 CA ASP A 58 -13.969 -1.108 -2.468 1.00 0.00 C ATOM 1223 C ASP A 58 -12.776 -0.875 -3.391 1.00 0.00 C ATOM 1224 O ASP A 58 -12.942 -0.659 -4.591 1.00 0.00 O ATOM 1225 CB ASP A 58 -14.480 0.231 -1.931 1.00 0.00 C ATOM 1226 CG ASP A 58 -15.610 0.796 -2.770 1.00 0.00 C ATOM 1227 OD1 ASP A 58 -16.539 0.031 -3.107 1.00 0.00 O1- ATOM 1228 OD2 ASP A 58 -15.566 2.002 -3.089 1.00 0.00 O ATOM 0 H ASP A 58 -13.640 -1.551 -0.446 1.00 0.00 H new ATOM 0 HA ASP A 58 -14.760 -1.589 -3.042 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.823 0.101 -0.905 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.658 0.946 -1.904 1.00 0.00 H new ATOM 1233 N TYR A 59 -11.574 -0.922 -2.824 1.00 0.00 N ATOM 1234 CA TYR A 59 -10.356 -0.715 -3.599 1.00 0.00 C ATOM 1235 C TYR A 59 -9.673 -2.043 -3.925 1.00 0.00 C ATOM 1236 O TYR A 59 -8.502 -2.070 -4.303 1.00 0.00 O ATOM 1237 CB TYR A 59 -9.392 0.194 -2.835 1.00 0.00 C ATOM 1238 CG TYR A 59 -9.973 1.552 -2.510 1.00 0.00 C ATOM 1239 CD1 TYR A 59 -10.212 2.485 -3.511 1.00 0.00 C ATOM 1240 CD2 TYR A 59 -10.283 1.900 -1.201 1.00 0.00 C ATOM 1241 CE1 TYR A 59 -10.743 3.726 -3.217 1.00 0.00 C ATOM 1242 CE2 TYR A 59 -10.814 3.140 -0.900 1.00 0.00 C ATOM 1243 CZ TYR A 59 -11.043 4.048 -1.911 1.00 0.00 C ATOM 1244 OH TYR A 59 -11.572 5.283 -1.615 1.00 0.00 O ATOM 0 H TYR A 59 -11.418 -1.101 -1.832 1.00 0.00 H new ATOM 0 HA TYR A 59 -10.634 -0.237 -4.538 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -9.099 -0.298 -1.908 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.486 0.327 -3.426 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -9.979 2.236 -4.536 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -10.106 1.190 -0.406 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -10.922 4.440 -4.007 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -11.048 3.396 0.123 1.00 0.00 H new ATOM 0 HH TYR A 59 -11.193 5.955 -2.220 1.00 0.00 H new ATOM 1254 N ASN A 60 -10.410 -3.142 -3.781 1.00 0.00 N ATOM 1255 CA ASN A 60 -9.873 -4.469 -4.066 1.00 0.00 C ATOM 1256 C ASN A 60 -8.580 -4.721 -3.293 1.00 0.00 C ATOM 1257 O ASN A 60 -7.640 -5.318 -3.818 1.00 0.00 O ATOM 1258 CB ASN A 60 -9.624 -4.626 -5.567 1.00 0.00 C ATOM 1259 CG ASN A 60 -10.909 -4.786 -6.354 1.00 0.00 C ATOM 1260 OD1 ASN A 60 -11.656 -5.744 -6.157 1.00 0.00 O ATOM 1261 ND2 ASN A 60 -11.174 -3.844 -7.252 1.00 0.00 N ATOM 0 H ASN A 60 -11.381 -3.139 -3.469 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.609 -5.206 -3.745 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.082 -3.755 -5.935 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.987 -5.494 -5.738 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -12.025 -3.898 -7.811 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -10.526 -3.067 -7.382 1.00 0.00 H new ATOM 1268 N ILE A 61 -8.541 -4.267 -2.045 1.00 0.00 N ATOM 1269 CA ILE A 61 -7.362 -4.449 -1.206 1.00 0.00 C ATOM 1270 C ILE A 61 -7.300 -5.870 -0.654 1.00 0.00 C ATOM 1271 O ILE A 61 -8.180 -6.295 0.094 1.00 0.00 O ATOM 1272 CB ILE A 61 -7.344 -3.452 -0.031 1.00 0.00 C ATOM 1273 CG1 ILE A 61 -7.561 -2.025 -0.542 1.00 0.00 C ATOM 1274 CG2 ILE A 61 -6.030 -3.555 0.731 1.00 0.00 C ATOM 1275 CD1 ILE A 61 -7.486 -0.973 0.543 1.00 0.00 C ATOM 0 H ILE A 61 -9.310 -3.772 -1.593 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.493 -4.265 -1.837 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.157 -3.701 0.651 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.813 -1.803 -1.303 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.536 -1.966 -1.026 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.032 -2.845 1.558 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.914 -4.566 1.121 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.202 -3.328 0.060 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.649 0.012 0.106 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.252 -1.169 1.293 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.503 -1.004 1.012 1.00 0.00 H new ATOM 1287 N GLN A 62 -6.255 -6.601 -1.031 1.00 0.00 N ATOM 1288 CA GLN A 62 -6.079 -7.975 -0.576 1.00 0.00 C ATOM 1289 C GLN A 62 -5.022 -8.057 0.521 1.00 0.00 C ATOM 1290 O GLN A 62 -4.454 -7.043 0.926 1.00 0.00 O ATOM 1291 CB GLN A 62 -5.685 -8.875 -1.748 1.00 0.00 C ATOM 1292 CG GLN A 62 -6.873 -9.481 -2.477 1.00 0.00 C ATOM 1293 CD GLN A 62 -7.575 -10.549 -1.661 1.00 0.00 C ATOM 1294 OE1 GLN A 62 -7.639 -10.467 -0.435 1.00 0.00 O ATOM 1295 NE2 GLN A 62 -8.106 -11.559 -2.340 1.00 0.00 N ATOM 0 H GLN A 62 -5.518 -6.264 -1.650 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.028 -8.318 -0.165 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.092 -8.296 -2.456 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.047 -9.678 -1.380 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -7.584 -8.692 -2.724 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -6.535 -9.912 -3.419 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -8.029 -11.586 -3.357 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -8.591 -12.307 -1.845 1.00 0.00 H new ATOM 1304 N LYS A 63 -4.764 -9.270 0.997 1.00 0.00 N ATOM 1305 CA LYS A 63 -3.777 -9.489 2.047 1.00 0.00 C ATOM 1306 C LYS A 63 -2.396 -9.013 1.607 1.00 0.00 C ATOM 1307 O LYS A 63 -1.995 -9.210 0.460 1.00 0.00 O ATOM 1308 CB LYS A 63 -3.726 -10.971 2.426 1.00 0.00 C ATOM 1309 CG LYS A 63 -4.108 -11.242 3.871 1.00 0.00 C ATOM 1310 CD LYS A 63 -4.232 -12.727 4.146 1.00 0.00 C ATOM 1311 CE LYS A 63 -5.671 -13.200 4.028 1.00 0.00 C ATOM 1312 NZ LYS A 63 -6.518 -12.685 5.140 1.00 0.00 N1+ ATOM 0 H LYS A 63 -5.226 -10.119 0.671 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.077 -8.909 2.920 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.396 -11.528 1.771 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.719 -11.349 2.248 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.358 -10.810 4.533 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.054 -10.749 4.096 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.608 -13.281 3.445 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.858 -12.945 5.146 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.084 -12.871 3.075 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.696 -14.290 4.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.371 -13.274 5.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.981 -12.719 6.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.794 -11.703 4.940 1.00 0.00 H new ATOM 1326 N GLU A 64 -1.671 -8.387 2.529 1.00 0.00 N ATOM 1327 CA GLU A 64 -0.331 -7.883 2.243 1.00 0.00 C ATOM 1328 C GLU A 64 -0.339 -6.957 1.030 1.00 0.00 C ATOM 1329 O GLU A 64 0.655 -6.850 0.313 1.00 0.00 O ATOM 1330 CB GLU A 64 0.633 -9.045 2.006 1.00 0.00 C ATOM 1331 CG GLU A 64 1.039 -9.769 3.280 1.00 0.00 C ATOM 1332 CD GLU A 64 2.037 -10.881 3.027 1.00 0.00 C ATOM 1333 OE1 GLU A 64 1.608 -11.984 2.627 1.00 0.00 O ATOM 1334 OE2 GLU A 64 3.248 -10.649 3.227 1.00 0.00 O1- ATOM 0 H GLU A 64 -1.989 -8.216 3.483 1.00 0.00 H new ATOM 0 HA GLU A 64 0.004 -7.311 3.108 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.169 -9.758 1.325 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.528 -8.668 1.511 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.469 -9.052 3.979 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.151 -10.185 3.756 1.00 0.00 H new ATOM 1341 N SER A 65 -1.467 -6.290 0.807 1.00 0.00 N ATOM 1342 CA SER A 65 -1.601 -5.373 -0.318 1.00 0.00 C ATOM 1343 C SER A 65 -0.700 -4.157 -0.135 1.00 0.00 C ATOM 1344 O SER A 65 -0.450 -3.721 0.989 1.00 0.00 O ATOM 1345 CB SER A 65 -3.056 -4.925 -0.470 1.00 0.00 C ATOM 1346 OG SER A 65 -3.790 -5.841 -1.265 1.00 0.00 O ATOM 0 H SER A 65 -2.300 -6.368 1.390 1.00 0.00 H new ATOM 0 HA SER A 65 -1.295 -5.899 -1.222 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.518 -4.840 0.513 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.090 -3.935 -0.925 1.00 0.00 H new ATOM 0 HG SER A 65 -3.870 -5.492 -2.177 1.00 0.00 H new ATOM 1352 N THR A 66 -0.214 -3.613 -1.246 1.00 0.00 N ATOM 1353 CA THR A 66 0.659 -2.447 -1.204 1.00 0.00 C ATOM 1354 C THR A 66 -0.148 -1.158 -1.317 1.00 0.00 C ATOM 1355 O THR A 66 -0.560 -0.765 -2.409 1.00 0.00 O ATOM 1356 CB THR A 66 1.699 -2.517 -2.326 1.00 0.00 C ATOM 1357 OG1 THR A 66 1.389 -3.557 -3.237 1.00 0.00 O ATOM 1358 CG2 THR A 66 3.106 -2.754 -1.820 1.00 0.00 C ATOM 0 H THR A 66 -0.410 -3.961 -2.185 1.00 0.00 H new ATOM 0 HA THR A 66 1.175 -2.446 -0.244 1.00 0.00 H new ATOM 0 HB THR A 66 1.663 -1.543 -2.815 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.065 -3.583 -3.946 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.794 -2.793 -2.664 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.395 -1.941 -1.154 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.143 -3.699 -1.277 1.00 0.00 H new ATOM 1366 N LEU A 67 -0.368 -0.502 -0.183 1.00 0.00 N ATOM 1367 CA LEU A 67 -1.126 0.744 -0.157 1.00 0.00 C ATOM 1368 C LEU A 67 -0.192 1.947 -0.255 1.00 0.00 C ATOM 1369 O LEU A 67 0.668 2.148 0.602 1.00 0.00 O ATOM 1370 CB LEU A 67 -1.964 0.833 1.122 1.00 0.00 C ATOM 1371 CG LEU A 67 -3.228 -0.028 1.140 1.00 0.00 C ATOM 1372 CD1 LEU A 67 -4.106 0.337 2.326 1.00 0.00 C ATOM 1373 CD2 LEU A 67 -4.003 0.115 -0.162 1.00 0.00 C ATOM 0 H LEU A 67 -0.033 -0.812 0.729 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.794 0.753 -1.018 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.338 0.547 1.967 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.251 1.873 1.276 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.925 -1.070 1.241 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.000 -0.286 2.322 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.554 0.173 3.251 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.394 1.386 2.256 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.897 -0.507 -0.123 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.292 1.157 -0.301 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.376 -0.202 -0.995 1.00 0.00 H new ATOM 1385 N HIS A 68 -0.367 2.741 -1.306 1.00 0.00 N ATOM 1386 CA HIS A 68 0.463 3.922 -1.516 1.00 0.00 C ATOM 1387 C HIS A 68 0.136 5.008 -0.496 1.00 0.00 C ATOM 1388 O HIS A 68 -1.019 5.406 -0.349 1.00 0.00 O ATOM 1389 CB HIS A 68 0.266 4.463 -2.934 1.00 0.00 C ATOM 1390 CG HIS A 68 0.510 3.442 -4.003 1.00 0.00 C ATOM 1391 ND1 HIS A 68 1.642 2.656 -4.047 1.00 0.00 N ATOM 1392 CD2 HIS A 68 -0.239 3.082 -5.071 1.00 0.00 C ATOM 1393 CE1 HIS A 68 1.578 1.856 -5.097 1.00 0.00 C ATOM 1394 NE2 HIS A 68 0.447 2.095 -5.734 1.00 0.00 N ATOM 0 H HIS A 68 -1.075 2.589 -2.025 1.00 0.00 H new ATOM 0 HA HIS A 68 1.505 3.630 -1.386 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -0.751 4.843 -3.031 1.00 0.00 H new ATOM 0 HB3 HIS A 68 0.938 5.307 -3.089 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -1.198 3.494 -5.350 1.00 0.00 H new ATOM 0 HE1 HIS A 68 2.324 1.130 -5.385 1.00 0.00 H new ATOM 0 HE2 HIS A 68 0.133 1.623 -6.582 1.00 0.00 H new ATOM 1403 N LEU A 69 1.161 5.482 0.203 1.00 0.00 N ATOM 1404 CA LEU A 69 0.987 6.522 1.209 1.00 0.00 C ATOM 1405 C LEU A 69 1.633 7.828 0.755 1.00 0.00 C ATOM 1406 O LEU A 69 2.654 7.820 0.070 1.00 0.00 O ATOM 1407 CB LEU A 69 1.594 6.080 2.542 1.00 0.00 C ATOM 1408 CG LEU A 69 1.043 6.792 3.773 1.00 0.00 C ATOM 1409 CD1 LEU A 69 1.023 5.858 4.973 1.00 0.00 C ATOM 1410 CD2 LEU A 69 1.876 8.020 4.068 1.00 0.00 C ATOM 0 H LEU A 69 2.123 5.162 0.091 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.082 6.689 1.342 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.433 5.008 2.659 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.672 6.238 2.503 1.00 0.00 H new ATOM 0 HG LEU A 69 0.017 7.099 3.571 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.626 6.387 5.839 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.392 4.997 4.753 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.037 5.519 5.187 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.479 8.526 4.948 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.908 7.723 4.254 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.842 8.697 3.214 1.00 0.00 H new ATOM 1422 N VAL A 70 1.031 8.947 1.144 1.00 0.00 N ATOM 1423 CA VAL A 70 1.549 10.260 0.778 1.00 0.00 C ATOM 1424 C VAL A 70 1.732 11.139 2.010 1.00 0.00 C ATOM 1425 O VAL A 70 0.792 11.794 2.462 1.00 0.00 O ATOM 1426 CB VAL A 70 0.618 10.976 -0.218 1.00 0.00 C ATOM 1427 CG1 VAL A 70 1.255 12.266 -0.713 1.00 0.00 C ATOM 1428 CG2 VAL A 70 0.274 10.062 -1.385 1.00 0.00 C ATOM 0 H VAL A 70 0.184 8.971 1.712 1.00 0.00 H new ATOM 0 HA VAL A 70 2.516 10.097 0.303 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.308 11.229 0.299 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.582 12.758 -1.416 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.442 12.927 0.133 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.197 12.039 -1.211 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.385 10.587 -2.077 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.189 9.773 -1.903 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.229 9.170 -1.012 1.00 0.00 H new ATOM 1438 N LEU A 71 2.946 11.152 2.549 1.00 0.00 N ATOM 1439 CA LEU A 71 3.251 11.952 3.729 1.00 0.00 C ATOM 1440 C LEU A 71 3.323 13.435 3.376 1.00 0.00 C ATOM 1441 O LEU A 71 4.308 13.900 2.803 1.00 0.00 O ATOM 1442 CB LEU A 71 4.574 11.500 4.351 1.00 0.00 C ATOM 1443 CG LEU A 71 4.667 10.005 4.661 1.00 0.00 C ATOM 1444 CD1 LEU A 71 6.091 9.626 5.036 1.00 0.00 C ATOM 1445 CD2 LEU A 71 3.703 9.632 5.777 1.00 0.00 C ATOM 0 H LEU A 71 3.735 10.617 2.187 1.00 0.00 H new ATOM 0 HA LEU A 71 2.449 11.806 4.453 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.386 11.766 3.674 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.733 12.057 5.274 1.00 0.00 H new ATOM 0 HG LEU A 71 4.388 9.449 3.766 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.138 8.559 5.253 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.759 9.857 4.207 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.397 10.190 5.917 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.782 8.565 5.985 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.951 10.196 6.676 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.684 9.867 5.471 1.00 0.00 H new ATOM 1457 N ARG A 72 2.272 14.171 3.723 1.00 0.00 N ATOM 1458 CA ARG A 72 2.217 15.602 3.442 1.00 0.00 C ATOM 1459 C ARG A 72 3.126 16.379 4.389 1.00 0.00 C ATOM 1460 O ARG A 72 3.451 15.906 5.479 1.00 0.00 O ATOM 1461 CB ARG A 72 0.779 16.111 3.564 1.00 0.00 C ATOM 1462 CG ARG A 72 0.438 17.214 2.576 1.00 0.00 C ATOM 1463 CD ARG A 72 -0.773 18.013 3.029 1.00 0.00 C ATOM 1464 NE ARG A 72 -1.309 18.848 1.957 1.00 0.00 N ATOM 1465 CZ ARG A 72 -0.762 19.999 1.570 1.00 0.00 C ATOM 1466 NH1 ARG A 72 0.335 20.453 2.163 1.00 0.00 N1+ ATOM 1467 NH2 ARG A 72 -1.314 20.697 0.586 1.00 0.00 N ATOM 0 H ARG A 72 1.448 13.802 4.198 1.00 0.00 H new ATOM 0 HA ARG A 72 2.567 15.760 2.422 1.00 0.00 H new ATOM 0 HB2 ARG A 72 0.093 15.277 3.415 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.618 16.480 4.577 1.00 0.00 H new ATOM 0 HG2 ARG A 72 1.293 17.880 2.463 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.242 16.778 1.596 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -1.548 17.331 3.379 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -0.497 18.642 3.875 1.00 0.00 H new ATOM 0 HE ARG A 72 -2.151 18.531 1.477 1.00 0.00 H new ATOM 0 HH11 ARG A 72 0.764 19.920 2.919 1.00 0.00 H new ATOM 0 HH12 ARG A 72 0.749 21.335 1.862 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.157 20.352 0.126 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -0.896 21.579 0.289 1.00 0.00 H new