USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=12 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= -2.21! C(o=-2.2!,f=-3.4!) USER MOD Set 1.2: A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 7 THR OG1 : rot 168:sc= -0.52 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.114 USER MOD Single : A 2 GLN : amide:sc= -1.24 K(o=-1.2,f=-1.9!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -49:sc= 1.08 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0364 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= -5.4! (180deg=-5.4!) USER MOD Single : A 31 GLN : amide:sc= -0.0441 X(o=-0.044,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -4.98 K(o=-5,f=-13!) USER MOD Single : A 41 GLN : amide:sc= -6.84! C(o=-6.8!,f=-10!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= -1.93 USER MOD Single : A 60 ASN : amide:sc= -0.0431 K(o=-0.043,f=-0.93) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 63 LYS NZ :NH3+ 165:sc= -0.165 (180deg=-0.484) USER MOD Single : A 65 SER OG : rot 105:sc= -2.33 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.519 X(o=-0.52,f=-0.082) USER MOD ----------------------------------------------------------------- ATOM 326 N GLN A 2 -3.032 -8.346 7.047 1.00 0.00 N ATOM 327 CA GLN A 2 -1.752 -7.667 7.207 1.00 0.00 C ATOM 328 C GLN A 2 -1.277 -7.087 5.878 1.00 0.00 C ATOM 329 O GLN A 2 -0.534 -7.731 5.140 1.00 0.00 O ATOM 330 CB GLN A 2 -0.703 -8.635 7.758 1.00 0.00 C ATOM 331 CG GLN A 2 -0.625 -8.648 9.275 1.00 0.00 C ATOM 332 CD GLN A 2 -1.574 -9.653 9.899 1.00 0.00 C ATOM 333 OE1 GLN A 2 -2.767 -9.666 9.599 1.00 0.00 O ATOM 334 NE2 GLN A 2 -1.046 -10.502 10.773 1.00 0.00 N ATOM 0 HA GLN A 2 -1.887 -6.849 7.914 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -0.929 -9.641 7.405 1.00 0.00 H new ATOM 0 HB3 GLN A 2 0.274 -8.367 7.355 1.00 0.00 H new ATOM 0 HG2 GLN A 2 0.395 -8.879 9.581 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -0.854 -7.653 9.655 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -0.051 -10.455 10.992 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -1.636 -11.201 11.225 1.00 0.00 H new ATOM 343 N ILE A 3 -1.708 -5.864 5.584 1.00 0.00 N ATOM 344 CA ILE A 3 -1.325 -5.195 4.346 1.00 0.00 C ATOM 345 C ILE A 3 -0.076 -4.348 4.553 1.00 0.00 C ATOM 346 O ILE A 3 0.117 -3.767 5.620 1.00 0.00 O ATOM 347 CB ILE A 3 -2.460 -4.298 3.817 1.00 0.00 C ATOM 348 CG1 ILE A 3 -2.911 -3.317 4.900 1.00 0.00 C ATOM 349 CG2 ILE A 3 -3.630 -5.148 3.343 1.00 0.00 C ATOM 350 CD1 ILE A 3 -3.832 -2.236 4.391 1.00 0.00 C ATOM 0 H ILE A 3 -2.323 -5.316 6.186 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.119 -5.974 3.611 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.085 -3.726 2.968 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.416 -3.870 5.692 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.032 -2.853 5.347 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.424 -4.500 2.972 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.298 -5.810 2.543 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.007 -5.744 4.174 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.110 -1.578 5.214 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.323 -1.657 3.620 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.729 -2.691 3.970 1.00 0.00 H new ATOM 362 N PHE A 4 0.775 -4.283 3.535 1.00 0.00 N ATOM 363 CA PHE A 4 2.005 -3.507 3.630 1.00 0.00 C ATOM 364 C PHE A 4 1.830 -2.119 3.025 1.00 0.00 C ATOM 365 O PHE A 4 1.732 -1.965 1.809 1.00 0.00 O ATOM 366 CB PHE A 4 3.158 -4.247 2.946 1.00 0.00 C ATOM 367 CG PHE A 4 4.144 -4.813 3.925 1.00 0.00 C ATOM 368 CD1 PHE A 4 4.793 -3.982 4.820 1.00 0.00 C ATOM 369 CD2 PHE A 4 4.407 -6.172 3.966 1.00 0.00 C ATOM 370 CE1 PHE A 4 5.687 -4.491 5.742 1.00 0.00 C ATOM 371 CE2 PHE A 4 5.303 -6.690 4.881 1.00 0.00 C ATOM 372 CZ PHE A 4 5.944 -5.848 5.772 1.00 0.00 C ATOM 0 H PHE A 4 0.637 -4.755 2.641 1.00 0.00 H new ATOM 0 HA PHE A 4 2.244 -3.385 4.686 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.754 -5.054 2.335 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.674 -3.564 2.271 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.598 -2.920 4.798 1.00 0.00 H new ATOM 0 HD2 PHE A 4 3.906 -6.834 3.275 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.183 -3.830 6.437 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.503 -7.751 4.901 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.644 -6.251 6.489 1.00 0.00 H new ATOM 382 N VAL A 5 1.797 -1.108 3.887 1.00 0.00 N ATOM 383 CA VAL A 5 1.640 0.270 3.442 1.00 0.00 C ATOM 384 C VAL A 5 2.989 0.874 3.067 1.00 0.00 C ATOM 385 O VAL A 5 3.845 1.086 3.926 1.00 0.00 O ATOM 386 CB VAL A 5 0.984 1.142 4.529 1.00 0.00 C ATOM 387 CG1 VAL A 5 0.663 2.525 3.986 1.00 0.00 C ATOM 388 CG2 VAL A 5 -0.270 0.470 5.069 1.00 0.00 C ATOM 0 H VAL A 5 1.877 -1.218 4.898 1.00 0.00 H new ATOM 0 HA VAL A 5 0.992 0.251 2.566 1.00 0.00 H new ATOM 0 HB VAL A 5 1.691 1.256 5.351 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.200 3.125 4.769 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.582 3.008 3.654 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.024 2.435 3.144 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.719 1.101 5.836 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.982 0.323 4.257 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.008 -0.496 5.501 1.00 0.00 H new ATOM 398 N LYS A 6 3.173 1.144 1.777 1.00 0.00 N ATOM 399 CA LYS A 6 4.419 1.720 1.284 1.00 0.00 C ATOM 400 C LYS A 6 4.319 3.239 1.194 1.00 0.00 C ATOM 401 O LYS A 6 3.287 3.780 0.799 1.00 0.00 O ATOM 402 CB LYS A 6 4.766 1.139 -0.087 1.00 0.00 C ATOM 403 CG LYS A 6 6.154 1.520 -0.576 1.00 0.00 C ATOM 404 CD LYS A 6 6.181 1.709 -2.084 1.00 0.00 C ATOM 405 CE LYS A 6 7.553 2.152 -2.565 1.00 0.00 C ATOM 406 NZ LYS A 6 7.543 2.525 -4.007 1.00 0.00 N1+ ATOM 0 H LYS A 6 2.474 0.973 1.054 1.00 0.00 H new ATOM 0 HA LYS A 6 5.210 1.467 1.990 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.692 0.053 -0.041 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.028 1.479 -0.814 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.473 2.440 -0.087 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.866 0.745 -0.293 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.907 0.775 -2.574 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.436 2.451 -2.372 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.888 3.003 -1.972 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.271 1.348 -2.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.497 2.821 -4.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.248 1.706 -4.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.877 3.309 -4.158 1.00 0.00 H new ATOM 420 N THR A 7 5.399 3.921 1.561 1.00 0.00 N ATOM 421 CA THR A 7 5.433 5.379 1.519 1.00 0.00 C ATOM 422 C THR A 7 6.246 5.869 0.326 1.00 0.00 C ATOM 423 O THR A 7 6.938 5.089 -0.328 1.00 0.00 O ATOM 424 CB THR A 7 6.024 5.934 2.816 1.00 0.00 C ATOM 425 OG1 THR A 7 7.403 5.626 2.911 1.00 0.00 O ATOM 426 CG2 THR A 7 5.347 5.397 4.059 1.00 0.00 C ATOM 0 H THR A 7 6.262 3.488 1.891 1.00 0.00 H new ATOM 0 HA THR A 7 4.410 5.739 1.411 1.00 0.00 H new ATOM 0 HB THR A 7 5.863 7.011 2.770 1.00 0.00 H new ATOM 0 HG1 THR A 7 7.805 6.145 3.638 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.814 5.830 4.944 1.00 0.00 H new ATOM 0 HG22 THR A 7 4.290 5.661 4.040 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.449 4.312 4.089 1.00 0.00 H new ATOM 434 N LEU A 8 6.159 7.167 0.047 1.00 0.00 N ATOM 435 CA LEU A 8 6.888 7.760 -1.068 1.00 0.00 C ATOM 436 C LEU A 8 8.390 7.543 -0.913 1.00 0.00 C ATOM 437 O LEU A 8 9.067 7.120 -1.850 1.00 0.00 O ATOM 438 CB LEU A 8 6.583 9.256 -1.167 1.00 0.00 C ATOM 439 CG LEU A 8 5.458 9.623 -2.136 1.00 0.00 C ATOM 440 CD1 LEU A 8 4.561 10.696 -1.548 1.00 0.00 C ATOM 441 CD2 LEU A 8 6.028 10.105 -3.453 1.00 0.00 C ATOM 0 H LEU A 8 5.591 7.827 0.578 1.00 0.00 H new ATOM 0 HA LEU A 8 6.562 7.269 -1.985 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.323 9.625 -0.175 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.490 9.777 -1.473 1.00 0.00 H new ATOM 0 HG LEU A 8 4.863 8.726 -2.309 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.770 10.938 -2.258 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.118 10.332 -0.621 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.150 11.590 -1.342 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.213 10.362 -4.130 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.648 10.985 -3.281 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.634 9.316 -3.898 1.00 0.00 H new ATOM 453 N THR A 9 8.906 7.834 0.278 1.00 0.00 N ATOM 454 CA THR A 9 10.328 7.670 0.556 1.00 0.00 C ATOM 455 C THR A 9 10.763 6.225 0.331 1.00 0.00 C ATOM 456 O THR A 9 11.912 5.959 -0.020 1.00 0.00 O ATOM 457 CB THR A 9 10.642 8.094 1.993 1.00 0.00 C ATOM 458 OG1 THR A 9 9.516 8.711 2.594 1.00 0.00 O ATOM 459 CG2 THR A 9 11.800 9.064 2.090 1.00 0.00 C ATOM 0 H THR A 9 8.360 8.184 1.065 1.00 0.00 H new ATOM 0 HA THR A 9 10.883 8.308 -0.131 1.00 0.00 H new ATOM 0 HB THR A 9 10.912 7.174 2.512 1.00 0.00 H new ATOM 0 HG1 THR A 9 9.738 8.973 3.512 1.00 0.00 H new ATOM 0 HG21 THR A 9 11.970 9.324 3.135 1.00 0.00 H new ATOM 0 HG22 THR A 9 12.698 8.601 1.680 1.00 0.00 H new ATOM 0 HG23 THR A 9 11.567 9.966 1.525 1.00 0.00 H new ATOM 467 N GLY A 10 9.835 5.294 0.534 1.00 0.00 N ATOM 468 CA GLY A 10 10.141 3.888 0.349 1.00 0.00 C ATOM 469 C GLY A 10 10.071 3.103 1.643 1.00 0.00 C ATOM 470 O GLY A 10 10.964 2.313 1.947 1.00 0.00 O ATOM 0 H GLY A 10 8.877 5.489 0.823 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.443 3.459 -0.370 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.139 3.790 -0.078 1.00 0.00 H new ATOM 474 N LYS A 11 9.007 3.322 2.409 1.00 0.00 N ATOM 475 CA LYS A 11 8.823 2.629 3.679 1.00 0.00 C ATOM 476 C LYS A 11 7.562 1.772 3.656 1.00 0.00 C ATOM 477 O LYS A 11 6.447 2.290 3.613 1.00 0.00 O ATOM 478 CB LYS A 11 8.747 3.635 4.828 1.00 0.00 C ATOM 479 CG LYS A 11 8.556 2.990 6.192 1.00 0.00 C ATOM 480 CD LYS A 11 9.870 2.516 6.778 1.00 0.00 C ATOM 481 CE LYS A 11 9.877 1.013 7.001 1.00 0.00 C ATOM 482 NZ LYS A 11 11.226 0.423 6.776 1.00 0.00 N1+ ATOM 0 H LYS A 11 8.259 3.974 2.172 1.00 0.00 H new ATOM 0 HA LYS A 11 9.682 1.976 3.833 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.661 4.228 4.841 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.923 4.324 4.643 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.092 3.706 6.871 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.872 2.146 6.103 1.00 0.00 H new ATOM 0 HD2 LYS A 11 10.686 2.788 6.109 1.00 0.00 H new ATOM 0 HD3 LYS A 11 10.051 3.025 7.725 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.551 0.796 8.018 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.159 0.543 6.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.187 -0.604 6.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.527 0.608 5.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.907 0.852 7.435 1.00 0.00 H new ATOM 496 N THR A 12 7.750 0.457 3.689 1.00 0.00 N ATOM 497 CA THR A 12 6.632 -0.479 3.678 1.00 0.00 C ATOM 498 C THR A 12 6.482 -1.150 5.039 1.00 0.00 C ATOM 499 O THR A 12 7.372 -1.875 5.483 1.00 0.00 O ATOM 500 CB THR A 12 6.838 -1.539 2.593 1.00 0.00 C ATOM 501 OG1 THR A 12 7.722 -1.067 1.592 1.00 0.00 O ATOM 502 CG2 THR A 12 5.552 -1.956 1.912 1.00 0.00 C ATOM 0 H THR A 12 8.668 0.015 3.724 1.00 0.00 H new ATOM 0 HA THR A 12 5.721 0.078 3.461 1.00 0.00 H new ATOM 0 HB THR A 12 7.253 -2.404 3.110 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.842 -1.759 0.909 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.769 -2.709 1.154 1.00 0.00 H new ATOM 0 HG22 THR A 12 4.867 -2.372 2.651 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.092 -1.088 1.439 1.00 0.00 H new ATOM 510 N ILE A 13 5.357 -0.899 5.704 1.00 0.00 N ATOM 511 CA ILE A 13 5.113 -1.483 7.019 1.00 0.00 C ATOM 512 C ILE A 13 3.885 -2.387 7.026 1.00 0.00 C ATOM 513 O ILE A 13 2.878 -2.093 6.382 1.00 0.00 O ATOM 514 CB ILE A 13 4.930 -0.399 8.096 1.00 0.00 C ATOM 515 CG1 ILE A 13 6.194 0.423 8.252 1.00 0.00 C ATOM 516 CG2 ILE A 13 4.571 -1.037 9.415 1.00 0.00 C ATOM 517 CD1 ILE A 13 7.380 -0.400 8.662 1.00 0.00 C ATOM 0 H ILE A 13 4.607 -0.301 5.358 1.00 0.00 H new ATOM 0 HA ILE A 13 5.996 -2.080 7.248 1.00 0.00 H new ATOM 0 HB ILE A 13 4.122 0.262 7.782 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.414 0.924 7.309 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.025 1.202 8.995 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.443 -0.262 10.171 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.641 -1.596 9.308 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.368 -1.714 9.721 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.254 0.244 8.757 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.176 -0.880 9.619 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.572 -1.163 7.907 1.00 0.00 H new ATOM 529 N THR A 14 3.977 -3.484 7.773 1.00 0.00 N ATOM 530 CA THR A 14 2.874 -4.429 7.882 1.00 0.00 C ATOM 531 C THR A 14 1.800 -3.884 8.812 1.00 0.00 C ATOM 532 O THR A 14 2.006 -3.771 10.020 1.00 0.00 O ATOM 533 CB THR A 14 3.371 -5.782 8.397 1.00 0.00 C ATOM 534 OG1 THR A 14 4.770 -5.906 8.218 1.00 0.00 O ATOM 535 CG2 THR A 14 2.712 -6.959 7.710 1.00 0.00 C ATOM 0 H THR A 14 4.805 -3.739 8.311 1.00 0.00 H new ATOM 0 HA THR A 14 2.446 -4.569 6.889 1.00 0.00 H new ATOM 0 HB THR A 14 3.108 -5.804 9.455 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.006 -5.656 7.300 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.108 -7.888 8.120 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.635 -6.920 7.874 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.918 -6.918 6.640 1.00 0.00 H new ATOM 543 N LEU A 15 0.657 -3.541 8.238 1.00 0.00 N ATOM 544 CA LEU A 15 -0.452 -2.997 9.006 1.00 0.00 C ATOM 545 C LEU A 15 -1.733 -3.777 8.723 1.00 0.00 C ATOM 546 O LEU A 15 -2.227 -3.795 7.595 1.00 0.00 O ATOM 547 CB LEU A 15 -0.633 -1.515 8.666 1.00 0.00 C ATOM 548 CG LEU A 15 -1.375 -0.681 9.713 1.00 0.00 C ATOM 549 CD1 LEU A 15 -2.684 -1.346 10.101 1.00 0.00 C ATOM 550 CD2 LEU A 15 -0.501 -0.463 10.939 1.00 0.00 C ATOM 0 H LEU A 15 0.473 -3.630 7.239 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.230 -3.091 10.069 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.351 -1.074 8.508 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.171 -1.441 7.721 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.604 0.291 9.276 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.195 -0.736 10.846 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.316 -1.447 9.219 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.481 -2.333 10.517 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.045 0.132 11.673 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.240 -1.427 11.375 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.409 0.062 10.649 1.00 0.00 H new ATOM 562 N GLU A 16 -2.260 -4.429 9.755 1.00 0.00 N ATOM 563 CA GLU A 16 -3.477 -5.221 9.620 1.00 0.00 C ATOM 564 C GLU A 16 -4.717 -4.372 9.882 1.00 0.00 C ATOM 565 O GLU A 16 -4.853 -3.763 10.943 1.00 0.00 O ATOM 566 CB GLU A 16 -3.448 -6.408 10.584 1.00 0.00 C ATOM 567 CG GLU A 16 -4.503 -7.447 10.298 1.00 0.00 C ATOM 568 CD GLU A 16 -5.869 -7.057 10.828 1.00 0.00 C ATOM 569 OE1 GLU A 16 -5.940 -6.550 11.967 1.00 0.00 O1- ATOM 570 OE2 GLU A 16 -6.867 -7.259 10.105 1.00 0.00 O ATOM 0 H GLU A 16 -1.863 -4.424 10.694 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.524 -5.591 8.596 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.466 -6.878 10.538 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.578 -6.041 11.602 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.568 -7.606 9.222 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.203 -8.396 10.743 1.00 0.00 H new ATOM 577 N VAL A 17 -5.620 -4.341 8.908 1.00 0.00 N ATOM 578 CA VAL A 17 -6.852 -3.571 9.029 1.00 0.00 C ATOM 579 C VAL A 17 -8.028 -4.321 8.413 1.00 0.00 C ATOM 580 O VAL A 17 -7.928 -4.846 7.304 1.00 0.00 O ATOM 581 CB VAL A 17 -6.724 -2.194 8.350 1.00 0.00 C ATOM 582 CG1 VAL A 17 -5.764 -1.303 9.123 1.00 0.00 C ATOM 583 CG2 VAL A 17 -6.273 -2.350 6.905 1.00 0.00 C ATOM 0 H VAL A 17 -5.521 -4.841 8.025 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.032 -3.426 10.094 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.704 -1.718 8.351 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.687 -0.335 8.628 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.135 -1.163 10.138 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.781 -1.772 9.158 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.188 -1.367 6.442 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.304 -2.848 6.878 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.003 -2.947 6.358 1.00 0.00 H new ATOM 593 N GLU A 18 -9.141 -4.367 9.137 1.00 0.00 N ATOM 594 CA GLU A 18 -10.335 -5.054 8.659 1.00 0.00 C ATOM 595 C GLU A 18 -10.895 -4.370 7.413 1.00 0.00 C ATOM 596 O GLU A 18 -10.852 -3.146 7.296 1.00 0.00 O ATOM 597 CB GLU A 18 -11.401 -5.092 9.755 1.00 0.00 C ATOM 598 CG GLU A 18 -10.979 -5.875 10.988 1.00 0.00 C ATOM 599 CD GLU A 18 -11.556 -7.276 11.013 1.00 0.00 C ATOM 600 OE1 GLU A 18 -11.018 -8.152 10.303 1.00 0.00 O1- ATOM 601 OE2 GLU A 18 -12.546 -7.499 11.741 1.00 0.00 O ATOM 0 H GLU A 18 -9.241 -3.937 10.056 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.056 -6.075 8.398 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.644 -4.071 10.049 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.312 -5.533 9.349 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.891 -5.933 11.022 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.298 -5.338 11.882 1.00 0.00 H new ATOM 608 N PRO A 19 -11.429 -5.155 6.458 1.00 0.00 N ATOM 609 CA PRO A 19 -11.996 -4.610 5.219 1.00 0.00 C ATOM 610 C PRO A 19 -13.121 -3.617 5.487 1.00 0.00 C ATOM 611 O PRO A 19 -13.153 -2.529 4.912 1.00 0.00 O ATOM 612 CB PRO A 19 -12.540 -5.845 4.492 1.00 0.00 C ATOM 613 CG PRO A 19 -11.802 -6.998 5.081 1.00 0.00 C ATOM 614 CD PRO A 19 -11.522 -6.624 6.509 1.00 0.00 C ATOM 0 HA PRO A 19 -11.253 -4.057 4.645 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.615 -5.948 4.640 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -12.371 -5.776 3.417 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -12.396 -7.911 5.026 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.876 -7.187 4.538 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -12.318 -6.954 7.176 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.597 -7.074 6.870 1.00 0.00 H new ATOM 622 N SER A 20 -14.045 -4.001 6.362 1.00 0.00 N ATOM 623 CA SER A 20 -15.177 -3.146 6.706 1.00 0.00 C ATOM 624 C SER A 20 -14.702 -1.811 7.271 1.00 0.00 C ATOM 625 O SER A 20 -15.327 -0.775 7.049 1.00 0.00 O ATOM 626 CB SER A 20 -16.082 -3.848 7.721 1.00 0.00 C ATOM 627 OG SER A 20 -15.326 -4.653 8.609 1.00 0.00 O ATOM 0 H SER A 20 -14.033 -4.899 6.846 1.00 0.00 H new ATOM 0 HA SER A 20 -15.743 -2.953 5.795 1.00 0.00 H new ATOM 0 HB2 SER A 20 -16.643 -3.105 8.287 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.811 -4.466 7.196 1.00 0.00 H new ATOM 0 HG SER A 20 -15.928 -5.089 9.248 1.00 0.00 H new ATOM 633 N ASP A 21 -13.593 -1.843 8.002 1.00 0.00 N ATOM 634 CA ASP A 21 -13.036 -0.633 8.598 1.00 0.00 C ATOM 635 C ASP A 21 -12.715 0.404 7.525 1.00 0.00 C ATOM 636 O ASP A 21 -11.966 0.131 6.587 1.00 0.00 O ATOM 637 CB ASP A 21 -11.774 -0.968 9.398 1.00 0.00 C ATOM 638 CG ASP A 21 -12.036 -1.022 10.891 1.00 0.00 C ATOM 639 OD1 ASP A 21 -12.859 -0.221 11.379 1.00 0.00 O ATOM 640 OD2 ASP A 21 -11.417 -1.868 11.571 1.00 0.00 O1- ATOM 0 H ASP A 21 -13.062 -2.692 8.196 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.782 -0.212 9.271 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.380 -1.928 9.066 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -11.007 -0.221 9.193 1.00 0.00 H new ATOM 645 N THR A 22 -13.291 1.593 7.669 1.00 0.00 N ATOM 646 CA THR A 22 -13.070 2.671 6.713 1.00 0.00 C ATOM 647 C THR A 22 -11.589 3.026 6.620 1.00 0.00 C ATOM 648 O THR A 22 -10.757 2.447 7.318 1.00 0.00 O ATOM 649 CB THR A 22 -13.878 3.908 7.111 1.00 0.00 C ATOM 650 OG1 THR A 22 -13.667 4.225 8.476 1.00 0.00 O ATOM 651 CG2 THR A 22 -15.367 3.743 6.902 1.00 0.00 C ATOM 0 H THR A 22 -13.915 1.834 8.439 1.00 0.00 H new ATOM 0 HA THR A 22 -13.403 2.326 5.734 1.00 0.00 H new ATOM 0 HB THR A 22 -13.524 4.707 6.460 1.00 0.00 H new ATOM 0 HG1 THR A 22 -14.190 5.019 8.712 1.00 0.00 H new ATOM 0 HG21 THR A 22 -15.880 4.656 7.204 1.00 0.00 H new ATOM 0 HG22 THR A 22 -15.567 3.546 5.849 1.00 0.00 H new ATOM 0 HG23 THR A 22 -15.728 2.908 7.502 1.00 0.00 H new ATOM 659 N ILE A 23 -11.269 3.982 5.754 1.00 0.00 N ATOM 660 CA ILE A 23 -9.890 4.416 5.569 1.00 0.00 C ATOM 661 C ILE A 23 -9.341 5.057 6.839 1.00 0.00 C ATOM 662 O ILE A 23 -8.165 4.900 7.167 1.00 0.00 O ATOM 663 CB ILE A 23 -9.768 5.420 4.406 1.00 0.00 C ATOM 664 CG1 ILE A 23 -10.420 4.855 3.144 1.00 0.00 C ATOM 665 CG2 ILE A 23 -8.306 5.761 4.145 1.00 0.00 C ATOM 666 CD1 ILE A 23 -9.841 3.526 2.709 1.00 0.00 C ATOM 0 H ILE A 23 -11.947 4.471 5.169 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.307 3.526 5.333 1.00 0.00 H new ATOM 0 HB ILE A 23 -10.289 6.336 4.684 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.489 4.737 3.319 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.307 5.574 2.333 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.240 6.471 3.321 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.870 6.203 5.041 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.761 4.853 3.887 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -10.351 3.185 1.808 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.777 3.643 2.502 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.978 2.792 3.503 1.00 0.00 H new ATOM 678 N GLU A 24 -10.200 5.781 7.549 1.00 0.00 N ATOM 679 CA GLU A 24 -9.800 6.448 8.781 1.00 0.00 C ATOM 680 C GLU A 24 -9.270 5.447 9.802 1.00 0.00 C ATOM 681 O GLU A 24 -8.286 5.717 10.490 1.00 0.00 O ATOM 682 CB GLU A 24 -10.979 7.223 9.373 1.00 0.00 C ATOM 683 CG GLU A 24 -10.561 8.429 10.198 1.00 0.00 C ATOM 684 CD GLU A 24 -11.747 9.212 10.727 1.00 0.00 C ATOM 685 OE1 GLU A 24 -12.852 8.636 10.801 1.00 0.00 O ATOM 686 OE2 GLU A 24 -11.569 10.401 11.067 1.00 0.00 O1- ATOM 0 H GLU A 24 -11.177 5.920 7.292 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.999 7.146 8.539 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.628 7.555 8.563 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.567 6.551 9.998 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.947 8.097 11.035 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.940 9.085 9.588 1.00 0.00 H new ATOM 693 N ASN A 25 -9.922 4.291 9.895 1.00 0.00 N ATOM 694 CA ASN A 25 -9.508 3.251 10.833 1.00 0.00 C ATOM 695 C ASN A 25 -8.124 2.721 10.470 1.00 0.00 C ATOM 696 O ASN A 25 -7.326 2.368 11.341 1.00 0.00 O ATOM 697 CB ASN A 25 -10.521 2.104 10.837 1.00 0.00 C ATOM 698 CG ASN A 25 -10.335 1.172 12.017 1.00 0.00 C ATOM 699 OD1 ASN A 25 -9.507 0.262 11.981 1.00 0.00 O ATOM 700 ND2 ASN A 25 -11.106 1.396 13.075 1.00 0.00 N ATOM 0 H ASN A 25 -10.739 4.051 9.333 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.464 3.688 11.830 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.530 2.515 10.858 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.427 1.537 9.911 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -11.025 0.802 13.900 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.780 2.162 13.062 1.00 0.00 H new ATOM 707 N VAL A 26 -7.845 2.683 9.176 1.00 0.00 N ATOM 708 CA VAL A 26 -6.559 2.211 8.681 1.00 0.00 C ATOM 709 C VAL A 26 -5.477 3.225 8.999 1.00 0.00 C ATOM 710 O VAL A 26 -4.514 2.918 9.702 1.00 0.00 O ATOM 711 CB VAL A 26 -6.612 1.951 7.168 1.00 0.00 C ATOM 712 CG1 VAL A 26 -5.464 1.054 6.731 1.00 0.00 C ATOM 713 CG2 VAL A 26 -7.951 1.334 6.804 1.00 0.00 C ATOM 0 H VAL A 26 -8.495 2.975 8.446 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.326 1.270 9.179 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.506 2.900 6.642 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.524 0.885 5.656 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.515 1.534 6.971 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.529 0.099 7.253 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.987 1.150 5.730 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.075 0.392 7.338 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.754 2.017 7.082 1.00 0.00 H new ATOM 723 N LYS A 27 -5.662 4.453 8.525 1.00 0.00 N ATOM 724 CA LYS A 27 -4.716 5.516 8.820 1.00 0.00 C ATOM 725 C LYS A 27 -4.637 5.689 10.331 1.00 0.00 C ATOM 726 O LYS A 27 -3.648 6.184 10.868 1.00 0.00 O ATOM 727 CB LYS A 27 -5.141 6.824 8.150 1.00 0.00 C ATOM 728 CG LYS A 27 -5.457 6.673 6.671 1.00 0.00 C ATOM 729 CD LYS A 27 -4.316 6.000 5.921 1.00 0.00 C ATOM 730 CE LYS A 27 -4.803 4.814 5.100 1.00 0.00 C ATOM 731 NZ LYS A 27 -3.999 3.590 5.364 1.00 0.00 N1+ ATOM 0 H LYS A 27 -6.451 4.732 7.941 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.735 5.251 8.427 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.019 7.217 8.663 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.346 7.560 8.270 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.368 6.087 6.551 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.650 7.654 6.237 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.835 6.725 5.264 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.561 5.665 6.632 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.850 4.618 5.331 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.751 5.061 4.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.362 2.805 4.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.004 3.769 5.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.068 3.340 6.371 1.00 0.00 H new ATOM 745 N ALA A 28 -5.693 5.239 11.003 1.00 0.00 N ATOM 746 CA ALA A 28 -5.776 5.289 12.449 1.00 0.00 C ATOM 747 C ALA A 28 -4.662 4.448 13.055 1.00 0.00 C ATOM 748 O ALA A 28 -3.812 4.953 13.788 1.00 0.00 O ATOM 749 CB ALA A 28 -7.137 4.774 12.892 1.00 0.00 C ATOM 0 H ALA A 28 -6.513 4.830 10.555 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.659 6.317 12.791 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.203 4.810 13.979 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -7.920 5.397 12.460 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.264 3.745 12.555 1.00 0.00 H new ATOM 755 N LYS A 29 -4.663 3.159 12.719 1.00 0.00 N ATOM 756 CA LYS A 29 -3.638 2.247 13.209 1.00 0.00 C ATOM 757 C LYS A 29 -2.262 2.716 12.752 1.00 0.00 C ATOM 758 O LYS A 29 -1.298 2.696 13.517 1.00 0.00 O ATOM 759 CB LYS A 29 -3.900 0.825 12.708 1.00 0.00 C ATOM 760 CG LYS A 29 -5.069 0.140 13.398 1.00 0.00 C ATOM 761 CD LYS A 29 -6.314 0.139 12.523 1.00 0.00 C ATOM 762 CE LYS A 29 -6.870 -1.264 12.340 1.00 0.00 C ATOM 763 NZ LYS A 29 -7.487 -1.785 13.591 1.00 0.00 N1+ ATOM 0 H LYS A 29 -5.360 2.727 12.112 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.670 2.242 14.299 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.090 0.856 11.635 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.001 0.226 12.855 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.796 -0.886 13.644 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.285 0.647 14.338 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.075 0.777 12.972 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.075 0.566 11.549 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.614 -1.258 11.543 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.070 -1.933 12.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.854 -2.744 13.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.771 -1.815 14.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.268 -1.161 13.879 1.00 0.00 H new ATOM 777 N ILE A 30 -2.185 3.154 11.497 1.00 0.00 N ATOM 778 CA ILE A 30 -0.936 3.647 10.934 1.00 0.00 C ATOM 779 C ILE A 30 -0.477 4.904 11.667 1.00 0.00 C ATOM 780 O ILE A 30 0.713 5.217 11.704 1.00 0.00 O ATOM 781 CB ILE A 30 -1.077 3.953 9.423 1.00 0.00 C ATOM 782 CG1 ILE A 30 -1.428 2.677 8.658 1.00 0.00 C ATOM 783 CG2 ILE A 30 0.207 4.563 8.876 1.00 0.00 C ATOM 784 CD1 ILE A 30 -1.603 2.895 7.172 1.00 0.00 C ATOM 0 H ILE A 30 -2.975 3.176 10.852 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.191 2.862 11.059 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.882 4.675 9.290 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.643 1.938 8.819 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.348 2.259 9.067 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.087 4.771 7.813 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.423 5.491 9.405 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.031 3.864 9.018 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.851 1.948 6.692 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.408 3.610 7.001 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.677 3.284 6.750 1.00 0.00 H new ATOM 796 N GLN A 31 -1.433 5.618 12.256 1.00 0.00 N ATOM 797 CA GLN A 31 -1.136 6.838 12.995 1.00 0.00 C ATOM 798 C GLN A 31 -0.574 6.508 14.373 1.00 0.00 C ATOM 799 O GLN A 31 0.341 7.173 14.857 1.00 0.00 O ATOM 800 CB GLN A 31 -2.400 7.692 13.131 1.00 0.00 C ATOM 801 CG GLN A 31 -2.195 8.961 13.943 1.00 0.00 C ATOM 802 CD GLN A 31 -3.293 9.182 14.967 1.00 0.00 C ATOM 803 OE1 GLN A 31 -3.022 9.481 16.130 1.00 0.00 O ATOM 804 NE2 GLN A 31 -4.541 9.034 14.538 1.00 0.00 N ATOM 0 H GLN A 31 -2.422 5.370 12.235 1.00 0.00 H new ATOM 0 HA GLN A 31 -0.385 7.402 12.443 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -2.755 7.961 12.136 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -3.183 7.095 13.598 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -1.233 8.910 14.453 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -2.154 9.817 13.269 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -4.720 8.785 13.565 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.321 9.169 15.181 1.00 0.00 H new ATOM 813 N ASP A 32 -1.127 5.476 15.000 1.00 0.00 N ATOM 814 CA ASP A 32 -0.681 5.058 16.324 1.00 0.00 C ATOM 815 C ASP A 32 0.560 4.170 16.235 1.00 0.00 C ATOM 816 O ASP A 32 1.239 3.941 17.236 1.00 0.00 O ATOM 817 CB ASP A 32 -1.802 4.315 17.050 1.00 0.00 C ATOM 818 CG ASP A 32 -1.743 4.503 18.553 1.00 0.00 C ATOM 819 OD1 ASP A 32 -1.737 5.667 19.005 1.00 0.00 O1- ATOM 820 OD2 ASP A 32 -1.700 3.487 19.278 1.00 0.00 O ATOM 0 H ASP A 32 -1.885 4.913 14.613 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.420 5.954 16.888 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.765 4.666 16.680 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.740 3.252 16.817 1.00 0.00 H new ATOM 825 N LYS A 33 0.849 3.667 15.037 1.00 0.00 N ATOM 826 CA LYS A 33 2.005 2.802 14.833 1.00 0.00 C ATOM 827 C LYS A 33 3.206 3.589 14.314 1.00 0.00 C ATOM 828 O LYS A 33 4.352 3.256 14.613 1.00 0.00 O ATOM 829 CB LYS A 33 1.658 1.677 13.854 1.00 0.00 C ATOM 830 CG LYS A 33 1.313 0.363 14.534 1.00 0.00 C ATOM 831 CD LYS A 33 1.899 -0.822 13.790 1.00 0.00 C ATOM 832 CE LYS A 33 3.289 -1.170 14.298 1.00 0.00 C ATOM 833 NZ LYS A 33 3.242 -2.167 15.404 1.00 0.00 N1+ ATOM 0 H LYS A 33 0.300 3.844 14.196 1.00 0.00 H new ATOM 0 HA LYS A 33 2.273 2.372 15.798 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.815 1.990 13.238 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.502 1.518 13.182 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.689 0.373 15.557 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.230 0.257 14.593 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.243 -1.685 13.904 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.946 -0.596 12.725 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.887 -1.566 13.477 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.786 -0.264 14.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.209 -2.378 15.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.693 -1.779 16.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.791 -3.041 15.065 1.00 0.00 H new ATOM 847 N GLU A 34 2.940 4.629 13.529 1.00 0.00 N ATOM 848 CA GLU A 34 4.008 5.451 12.967 1.00 0.00 C ATOM 849 C GLU A 34 3.973 6.871 13.524 1.00 0.00 C ATOM 850 O GLU A 34 5.017 7.484 13.748 1.00 0.00 O ATOM 851 CB GLU A 34 3.899 5.487 11.440 1.00 0.00 C ATOM 852 CG GLU A 34 4.775 4.459 10.743 1.00 0.00 C ATOM 853 CD GLU A 34 6.075 5.051 10.236 1.00 0.00 C ATOM 854 OE1 GLU A 34 6.751 5.756 11.014 1.00 0.00 O1- ATOM 855 OE2 GLU A 34 6.417 4.810 9.058 1.00 0.00 O ATOM 0 H GLU A 34 1.998 4.922 13.268 1.00 0.00 H new ATOM 0 HA GLU A 34 4.959 5.000 13.252 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.860 5.321 11.154 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.171 6.482 11.088 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.995 3.646 11.435 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.226 4.026 9.907 1.00 0.00 H new ATOM 862 N GLY A 35 2.770 7.392 13.743 1.00 0.00 N ATOM 863 CA GLY A 35 2.634 8.739 14.267 1.00 0.00 C ATOM 864 C GLY A 35 2.291 9.746 13.188 1.00 0.00 C ATOM 865 O GLY A 35 2.645 10.920 13.289 1.00 0.00 O ATOM 0 H GLY A 35 1.890 6.908 13.568 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.858 8.752 15.032 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.565 9.033 14.752 1.00 0.00 H new ATOM 869 N ILE A 36 1.600 9.284 12.149 1.00 0.00 N ATOM 870 CA ILE A 36 1.211 10.150 11.043 1.00 0.00 C ATOM 871 C ILE A 36 -0.310 10.284 10.955 1.00 0.00 C ATOM 872 O ILE A 36 -1.004 9.325 10.620 1.00 0.00 O ATOM 873 CB ILE A 36 1.742 9.614 9.700 1.00 0.00 C ATOM 874 CG1 ILE A 36 3.225 9.253 9.821 1.00 0.00 C ATOM 875 CG2 ILE A 36 1.530 10.640 8.597 1.00 0.00 C ATOM 876 CD1 ILE A 36 3.763 8.505 8.623 1.00 0.00 C ATOM 0 H ILE A 36 1.299 8.314 12.051 1.00 0.00 H new ATOM 0 HA ILE A 36 1.650 11.129 11.238 1.00 0.00 H new ATOM 0 HB ILE A 36 1.187 8.712 9.441 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.803 10.167 9.959 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.371 8.646 10.714 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.911 10.245 7.655 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.466 10.853 8.498 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.062 11.558 8.847 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.819 8.282 8.777 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.210 7.574 8.497 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.649 9.119 7.729 1.00 0.00 H new ATOM 888 N PRO A 37 -0.853 11.479 11.259 1.00 0.00 N ATOM 889 CA PRO A 37 -2.299 11.721 11.210 1.00 0.00 C ATOM 890 C PRO A 37 -2.910 11.318 9.869 1.00 0.00 C ATOM 891 O PRO A 37 -2.268 11.440 8.826 1.00 0.00 O ATOM 892 CB PRO A 37 -2.415 13.232 11.417 1.00 0.00 C ATOM 893 CG PRO A 37 -1.181 13.610 12.160 1.00 0.00 C ATOM 894 CD PRO A 37 -0.104 12.681 11.672 1.00 0.00 C ATOM 0 HA PRO A 37 -2.835 11.133 11.955 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.480 13.758 10.464 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.311 13.486 11.983 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.915 14.650 11.971 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.326 13.509 13.235 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.453 13.113 10.841 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.618 12.455 12.457 1.00 0.00 H new ATOM 902 N PRO A 38 -4.164 10.830 9.878 1.00 0.00 N ATOM 903 CA PRO A 38 -4.855 10.410 8.652 1.00 0.00 C ATOM 904 C PRO A 38 -4.920 11.522 7.612 1.00 0.00 C ATOM 905 O PRO A 38 -4.846 11.267 6.410 1.00 0.00 O ATOM 906 CB PRO A 38 -6.264 10.051 9.135 1.00 0.00 C ATOM 907 CG PRO A 38 -6.110 9.756 10.586 1.00 0.00 C ATOM 908 CD PRO A 38 -5.005 10.649 11.075 1.00 0.00 C ATOM 0 HA PRO A 38 -4.337 9.587 8.160 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.959 10.874 8.971 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.658 9.189 8.597 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.037 9.952 11.125 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.864 8.706 10.747 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.389 11.600 11.445 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.449 10.191 11.893 1.00 0.00 H new ATOM 916 N ASP A 39 -5.062 12.758 8.081 1.00 0.00 N ATOM 917 CA ASP A 39 -5.140 13.910 7.189 1.00 0.00 C ATOM 918 C ASP A 39 -3.751 14.343 6.731 1.00 0.00 C ATOM 919 O ASP A 39 -3.583 14.854 5.624 1.00 0.00 O ATOM 920 CB ASP A 39 -5.846 15.074 7.887 1.00 0.00 C ATOM 921 CG ASP A 39 -7.259 14.724 8.309 1.00 0.00 C ATOM 922 OD1 ASP A 39 -8.163 14.763 7.448 1.00 0.00 O ATOM 923 OD2 ASP A 39 -7.462 14.411 9.501 1.00 0.00 O1- ATOM 0 H ASP A 39 -5.125 12.987 9.073 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.715 13.618 6.311 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.271 15.371 8.764 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.872 15.934 7.217 1.00 0.00 H new ATOM 928 N GLN A 40 -2.759 14.138 7.591 1.00 0.00 N ATOM 929 CA GLN A 40 -1.385 14.509 7.273 1.00 0.00 C ATOM 930 C GLN A 40 -0.828 13.641 6.149 1.00 0.00 C ATOM 931 O GLN A 40 0.035 14.075 5.387 1.00 0.00 O ATOM 932 CB GLN A 40 -0.501 14.383 8.518 1.00 0.00 C ATOM 933 CG GLN A 40 -0.338 15.687 9.280 1.00 0.00 C ATOM 934 CD GLN A 40 -1.597 16.092 10.022 1.00 0.00 C ATOM 935 OE1 GLN A 40 -2.709 15.784 9.593 1.00 0.00 O ATOM 936 NE2 GLN A 40 -1.428 16.786 11.141 1.00 0.00 N ATOM 0 H GLN A 40 -2.881 13.718 8.512 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.385 15.546 6.937 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.929 13.634 9.184 1.00 0.00 H new ATOM 0 HB3 GLN A 40 0.483 14.020 8.220 1.00 0.00 H new ATOM 0 HG2 GLN A 40 0.482 15.587 9.991 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -0.061 16.478 8.583 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.487 17.019 11.459 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.239 17.086 11.682 1.00 0.00 H new ATOM 945 N GLN A 41 -1.324 12.411 6.054 1.00 0.00 N ATOM 946 CA GLN A 41 -0.872 11.483 5.023 1.00 0.00 C ATOM 947 C GLN A 41 -2.050 10.931 4.227 1.00 0.00 C ATOM 948 O GLN A 41 -3.090 10.592 4.793 1.00 0.00 O ATOM 949 CB GLN A 41 -0.085 10.332 5.655 1.00 0.00 C ATOM 950 CG GLN A 41 -0.923 9.457 6.573 1.00 0.00 C ATOM 951 CD GLN A 41 -0.233 8.152 6.923 1.00 0.00 C ATOM 952 OE1 GLN A 41 0.973 8.119 7.165 1.00 0.00 O ATOM 953 NE2 GLN A 41 -1.000 7.068 6.952 1.00 0.00 N ATOM 0 H GLN A 41 -2.038 12.034 6.677 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.222 12.029 4.339 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.338 9.714 4.863 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.752 10.742 6.221 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.144 10.004 7.489 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.877 9.242 6.093 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.996 7.142 6.744 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.593 6.161 7.182 1.00 0.00 H new ATOM 962 N ARG A 42 -1.879 10.840 2.912 1.00 0.00 N ATOM 963 CA ARG A 42 -2.927 10.325 2.039 1.00 0.00 C ATOM 964 C ARG A 42 -2.667 8.864 1.690 1.00 0.00 C ATOM 965 O ARG A 42 -1.585 8.337 1.950 1.00 0.00 O ATOM 966 CB ARG A 42 -3.015 11.160 0.761 1.00 0.00 C ATOM 967 CG ARG A 42 -2.928 12.658 1.004 1.00 0.00 C ATOM 968 CD ARG A 42 -2.817 13.429 -0.302 1.00 0.00 C ATOM 969 NE ARG A 42 -2.433 14.822 -0.085 1.00 0.00 N ATOM 970 CZ ARG A 42 -1.227 15.201 0.334 1.00 0.00 C ATOM 971 NH1 ARG A 42 -0.288 14.296 0.583 1.00 0.00 N1+ ATOM 972 NH2 ARG A 42 -0.958 16.488 0.504 1.00 0.00 N ATOM 0 H ARG A 42 -1.025 11.116 2.428 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.876 10.392 2.571 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.212 10.863 0.087 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.954 10.937 0.255 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.811 12.991 1.550 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.064 12.876 1.631 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.082 12.947 -0.946 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -3.772 13.394 -0.826 1.00 0.00 H new ATOM 0 HE ARG A 42 -3.129 15.546 -0.265 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -0.488 13.304 0.454 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.634 14.592 0.904 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -1.675 17.188 0.314 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -0.034 16.778 0.825 1.00 0.00 H new ATOM 986 N LEU A 43 -3.664 8.212 1.100 1.00 0.00 N ATOM 987 CA LEU A 43 -3.539 6.811 0.719 1.00 0.00 C ATOM 988 C LEU A 43 -4.177 6.555 -0.642 1.00 0.00 C ATOM 989 O LEU A 43 -5.352 6.854 -0.856 1.00 0.00 O ATOM 990 CB LEU A 43 -4.182 5.915 1.785 1.00 0.00 C ATOM 991 CG LEU A 43 -3.674 4.474 1.848 1.00 0.00 C ATOM 992 CD1 LEU A 43 -3.144 4.003 0.504 1.00 0.00 C ATOM 993 CD2 LEU A 43 -2.615 4.367 2.915 1.00 0.00 C ATOM 0 H LEU A 43 -4.566 8.632 0.876 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.478 6.571 0.646 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.027 6.376 2.760 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.258 5.892 1.611 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.510 3.822 2.101 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.793 2.975 0.591 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.940 4.053 -0.239 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.318 4.643 0.194 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.250 3.341 2.964 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.788 5.036 2.675 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.040 4.647 3.879 1.00 0.00 H new ATOM 1005 N ILE A 44 -3.393 5.996 -1.558 1.00 0.00 N ATOM 1006 CA ILE A 44 -3.877 5.693 -2.900 1.00 0.00 C ATOM 1007 C ILE A 44 -3.714 4.210 -3.216 1.00 0.00 C ATOM 1008 O ILE A 44 -2.728 3.585 -2.822 1.00 0.00 O ATOM 1009 CB ILE A 44 -3.134 6.520 -3.967 1.00 0.00 C ATOM 1010 CG1 ILE A 44 -3.115 8.000 -3.577 1.00 0.00 C ATOM 1011 CG2 ILE A 44 -3.785 6.332 -5.329 1.00 0.00 C ATOM 1012 CD1 ILE A 44 -1.758 8.485 -3.115 1.00 0.00 C ATOM 0 H ILE A 44 -2.418 5.743 -1.395 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.935 5.955 -2.924 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.104 6.168 -4.027 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.434 8.597 -4.432 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.842 8.168 -2.782 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.250 6.922 -6.073 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.749 5.279 -5.607 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.823 6.660 -5.284 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.819 9.542 -2.855 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.446 7.913 -2.241 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.031 8.350 -3.916 1.00 0.00 H new ATOM 1024 N PHE A 45 -4.687 3.653 -3.929 1.00 0.00 N ATOM 1025 CA PHE A 45 -4.651 2.243 -4.299 1.00 0.00 C ATOM 1026 C PHE A 45 -5.366 2.008 -5.625 1.00 0.00 C ATOM 1027 O PHE A 45 -6.524 2.390 -5.794 1.00 0.00 O ATOM 1028 CB PHE A 45 -5.294 1.391 -3.203 1.00 0.00 C ATOM 1029 CG PHE A 45 -5.174 -0.087 -3.443 1.00 0.00 C ATOM 1030 CD1 PHE A 45 -3.936 -0.708 -3.418 1.00 0.00 C ATOM 1031 CD2 PHE A 45 -6.300 -0.854 -3.695 1.00 0.00 C ATOM 1032 CE1 PHE A 45 -3.822 -2.067 -3.641 1.00 0.00 C ATOM 1033 CE2 PHE A 45 -6.192 -2.214 -3.918 1.00 0.00 C ATOM 1034 CZ PHE A 45 -4.952 -2.822 -3.890 1.00 0.00 C ATOM 0 H PHE A 45 -5.510 4.156 -4.262 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.607 1.951 -4.414 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -4.831 1.634 -2.247 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.349 1.653 -3.122 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.049 -0.123 -3.222 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -7.272 -0.384 -3.717 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.851 -2.538 -3.621 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.077 -2.801 -4.114 1.00 0.00 H new ATOM 0 HZ PHE A 45 -4.866 -3.885 -4.062 1.00 0.00 H new ATOM 1044 N ALA A 46 -4.669 1.377 -6.565 1.00 0.00 N ATOM 1045 CA ALA A 46 -5.236 1.090 -7.877 1.00 0.00 C ATOM 1046 C ALA A 46 -5.709 2.367 -8.563 1.00 0.00 C ATOM 1047 O ALA A 46 -6.671 2.351 -9.333 1.00 0.00 O ATOM 1048 CB ALA A 46 -6.384 0.101 -7.750 1.00 0.00 C ATOM 0 H ALA A 46 -3.709 1.055 -6.442 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.454 0.646 -8.494 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.798 -0.104 -8.737 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.018 -0.827 -7.310 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.160 0.524 -7.112 1.00 0.00 H new ATOM 1054 N GLY A 47 -5.029 3.473 -8.278 1.00 0.00 N ATOM 1055 CA GLY A 47 -5.396 4.743 -8.875 1.00 0.00 C ATOM 1056 C GLY A 47 -6.663 5.321 -8.276 1.00 0.00 C ATOM 1057 O GLY A 47 -7.370 6.091 -8.927 1.00 0.00 O ATOM 0 H GLY A 47 -4.231 3.512 -7.644 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.579 5.452 -8.743 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.533 4.610 -9.948 1.00 0.00 H new ATOM 1061 N LYS A 48 -6.950 4.952 -7.032 1.00 0.00 N ATOM 1062 CA LYS A 48 -8.140 5.439 -6.344 1.00 0.00 C ATOM 1063 C LYS A 48 -7.767 6.142 -5.043 1.00 0.00 C ATOM 1064 O LYS A 48 -6.881 5.692 -4.315 1.00 0.00 O ATOM 1065 CB LYS A 48 -9.099 4.283 -6.055 1.00 0.00 C ATOM 1066 CG LYS A 48 -9.904 3.844 -7.268 1.00 0.00 C ATOM 1067 CD LYS A 48 -10.551 2.486 -7.045 1.00 0.00 C ATOM 1068 CE LYS A 48 -9.748 1.373 -7.699 1.00 0.00 C ATOM 1069 NZ LYS A 48 -9.995 1.298 -9.166 1.00 0.00 N1+ ATOM 0 H LYS A 48 -6.374 4.317 -6.479 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.636 6.158 -6.996 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.528 3.433 -5.681 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.785 4.580 -5.262 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.675 4.585 -7.482 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.253 3.799 -8.141 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.637 2.294 -5.976 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.563 2.493 -7.450 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.686 1.537 -7.518 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.007 0.420 -7.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.429 0.527 -9.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.004 1.116 -9.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.724 2.199 -9.610 1.00 0.00 H new ATOM 1083 N GLN A 49 -8.446 7.247 -4.756 1.00 0.00 N ATOM 1084 CA GLN A 49 -8.185 8.011 -3.543 1.00 0.00 C ATOM 1085 C GLN A 49 -8.967 7.445 -2.362 1.00 0.00 C ATOM 1086 O GLN A 49 -10.188 7.582 -2.290 1.00 0.00 O ATOM 1087 CB GLN A 49 -8.551 9.482 -3.753 1.00 0.00 C ATOM 1088 CG GLN A 49 -7.410 10.320 -4.307 1.00 0.00 C ATOM 1089 CD GLN A 49 -6.668 11.081 -3.226 1.00 0.00 C ATOM 1090 OE1 GLN A 49 -5.822 10.524 -2.528 1.00 0.00 O ATOM 1091 NE2 GLN A 49 -6.985 12.363 -3.081 1.00 0.00 N ATOM 0 H GLN A 49 -9.182 7.633 -5.348 1.00 0.00 H new ATOM 0 HA GLN A 49 -7.121 7.936 -3.320 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -9.400 9.543 -4.434 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.874 9.907 -2.803 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.711 9.672 -4.835 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -7.804 11.026 -5.038 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -7.693 12.784 -3.682 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.520 12.926 -2.369 1.00 0.00 H new ATOM 1100 N LEU A 50 -8.254 6.810 -1.438 1.00 0.00 N ATOM 1101 CA LEU A 50 -8.881 6.223 -0.258 1.00 0.00 C ATOM 1102 C LEU A 50 -9.501 7.304 0.621 1.00 0.00 C ATOM 1103 O LEU A 50 -8.910 7.724 1.614 1.00 0.00 O ATOM 1104 CB LEU A 50 -7.854 5.424 0.547 1.00 0.00 C ATOM 1105 CG LEU A 50 -7.719 3.952 0.153 1.00 0.00 C ATOM 1106 CD1 LEU A 50 -7.461 3.814 -1.339 1.00 0.00 C ATOM 1107 CD2 LEU A 50 -6.615 3.290 0.952 1.00 0.00 C ATOM 0 H LEU A 50 -7.242 6.688 -1.483 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.672 5.552 -0.593 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.881 5.903 0.440 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.122 5.478 1.602 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.658 3.448 0.381 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.368 2.759 -1.596 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.291 4.251 -1.894 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.538 4.333 -1.598 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.532 2.243 0.660 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.670 3.797 0.757 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.848 3.353 2.015 1.00 0.00 H new ATOM 1119 N GLU A 51 -10.698 7.749 0.250 1.00 0.00 N ATOM 1120 CA GLU A 51 -11.397 8.781 1.008 1.00 0.00 C ATOM 1121 C GLU A 51 -11.621 8.337 2.450 1.00 0.00 C ATOM 1122 O GLU A 51 -11.846 7.158 2.719 1.00 0.00 O ATOM 1123 CB GLU A 51 -12.739 9.107 0.348 1.00 0.00 C ATOM 1124 CG GLU A 51 -12.602 9.791 -1.002 1.00 0.00 C ATOM 1125 CD GLU A 51 -13.607 10.911 -1.193 1.00 0.00 C ATOM 1126 OE1 GLU A 51 -13.810 11.694 -0.241 1.00 0.00 O1- ATOM 1127 OE2 GLU A 51 -14.191 11.004 -2.293 1.00 0.00 O ATOM 0 H GLU A 51 -11.203 7.412 -0.569 1.00 0.00 H new ATOM 0 HA GLU A 51 -10.776 9.677 1.014 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -13.307 8.185 0.223 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -13.316 9.748 1.014 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -11.593 10.192 -1.101 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -12.731 9.053 -1.794 1.00 0.00 H new ATOM 1134 N ASP A 52 -11.557 9.291 3.373 1.00 0.00 N ATOM 1135 CA ASP A 52 -11.753 8.998 4.788 1.00 0.00 C ATOM 1136 C ASP A 52 -13.189 8.564 5.061 1.00 0.00 C ATOM 1137 O ASP A 52 -13.988 9.327 5.603 1.00 0.00 O ATOM 1138 CB ASP A 52 -11.407 10.224 5.637 1.00 0.00 C ATOM 1139 CG ASP A 52 -9.912 10.422 5.784 1.00 0.00 C ATOM 1140 OD1 ASP A 52 -9.195 10.315 4.766 1.00 0.00 O1- ATOM 1141 OD2 ASP A 52 -9.456 10.686 6.916 1.00 0.00 O ATOM 0 H ASP A 52 -11.371 10.273 3.167 1.00 0.00 H new ATOM 0 HA ASP A 52 -11.088 8.178 5.059 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.845 11.113 5.183 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -11.855 10.117 6.625 1.00 0.00 H new ATOM 1146 N GLY A 53 -13.510 7.332 4.679 1.00 0.00 N ATOM 1147 CA GLY A 53 -14.850 6.814 4.888 1.00 0.00 C ATOM 1148 C GLY A 53 -15.239 5.777 3.854 1.00 0.00 C ATOM 1149 O GLY A 53 -16.358 5.790 3.342 1.00 0.00 O ATOM 0 H GLY A 53 -12.866 6.683 4.228 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.914 6.373 5.883 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -15.563 7.638 4.858 1.00 0.00 H new ATOM 1153 N ARG A 54 -14.312 4.876 3.545 1.00 0.00 N ATOM 1154 CA ARG A 54 -14.561 3.826 2.564 1.00 0.00 C ATOM 1155 C ARG A 54 -13.937 2.508 3.011 1.00 0.00 C ATOM 1156 O ARG A 54 -12.847 2.489 3.582 1.00 0.00 O ATOM 1157 CB ARG A 54 -14.002 4.233 1.200 1.00 0.00 C ATOM 1158 CG ARG A 54 -14.808 5.321 0.512 1.00 0.00 C ATOM 1159 CD ARG A 54 -15.799 4.739 -0.483 1.00 0.00 C ATOM 1160 NE ARG A 54 -16.644 5.768 -1.082 1.00 0.00 N ATOM 1161 CZ ARG A 54 -16.211 6.656 -1.975 1.00 0.00 C ATOM 1162 NH1 ARG A 54 -14.946 6.641 -2.376 1.00 0.00 N1+ ATOM 1163 NH2 ARG A 54 -17.047 7.559 -2.469 1.00 0.00 N ATOM 0 H ARG A 54 -13.381 4.852 3.960 1.00 0.00 H new ATOM 0 HA ARG A 54 -15.639 3.687 2.480 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -12.976 4.577 1.326 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.967 3.355 0.555 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -15.343 5.906 1.260 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.133 6.004 -0.003 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -15.257 4.213 -1.269 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -16.426 4.002 0.019 1.00 0.00 H new ATOM 0 HE ARG A 54 -17.623 5.809 -0.800 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -14.300 5.947 -2.000 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -14.620 7.323 -3.060 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -18.021 7.573 -2.165 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -16.717 8.240 -3.153 1.00 0.00 H new ATOM 1177 N THR A 55 -14.635 1.410 2.746 1.00 0.00 N ATOM 1178 CA THR A 55 -14.149 0.086 3.122 1.00 0.00 C ATOM 1179 C THR A 55 -13.126 -0.425 2.111 1.00 0.00 C ATOM 1180 O THR A 55 -13.218 -0.136 0.919 1.00 0.00 O ATOM 1181 CB THR A 55 -15.314 -0.898 3.226 1.00 0.00 C ATOM 1182 OG1 THR A 55 -16.026 -0.964 2.003 1.00 0.00 O ATOM 1183 CG2 THR A 55 -16.304 -0.539 4.314 1.00 0.00 C ATOM 0 H THR A 55 -15.539 1.409 2.273 1.00 0.00 H new ATOM 0 HA THR A 55 -13.664 0.168 4.095 1.00 0.00 H new ATOM 0 HB THR A 55 -14.860 -1.858 3.471 1.00 0.00 H new ATOM 0 HG1 THR A 55 -16.767 -1.600 2.089 1.00 0.00 H new ATOM 0 HG21 THR A 55 -17.106 -1.277 4.334 1.00 0.00 H new ATOM 0 HG22 THR A 55 -15.796 -0.528 5.279 1.00 0.00 H new ATOM 0 HG23 THR A 55 -16.724 0.447 4.113 1.00 0.00 H new ATOM 1191 N LEU A 56 -12.154 -1.190 2.599 1.00 0.00 N ATOM 1192 CA LEU A 56 -11.114 -1.746 1.740 1.00 0.00 C ATOM 1193 C LEU A 56 -11.716 -2.607 0.636 1.00 0.00 C ATOM 1194 O LEU A 56 -11.161 -2.708 -0.459 1.00 0.00 O ATOM 1195 CB LEU A 56 -10.132 -2.567 2.565 1.00 0.00 C ATOM 1196 CG LEU A 56 -9.587 -1.876 3.816 1.00 0.00 C ATOM 1197 CD1 LEU A 56 -8.156 -2.282 4.047 1.00 0.00 C ATOM 1198 CD2 LEU A 56 -9.638 -0.374 3.681 1.00 0.00 C ATOM 0 H LEU A 56 -12.065 -1.439 3.584 1.00 0.00 H new ATOM 0 HA LEU A 56 -10.583 -0.916 1.274 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -10.622 -3.493 2.866 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.292 -2.844 1.928 1.00 0.00 H new ATOM 0 HG LEU A 56 -10.211 -2.181 4.656 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.776 -1.785 4.940 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.102 -3.362 4.182 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.552 -1.993 3.187 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.244 0.086 4.587 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.037 -0.065 2.826 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -10.670 -0.057 3.533 1.00 0.00 H new ATOM 1210 N SER A 57 -12.855 -3.226 0.930 1.00 0.00 N ATOM 1211 CA SER A 57 -13.535 -4.078 -0.038 1.00 0.00 C ATOM 1212 C SER A 57 -13.870 -3.300 -1.306 1.00 0.00 C ATOM 1213 O SER A 57 -13.910 -3.863 -2.400 1.00 0.00 O ATOM 1214 CB SER A 57 -14.812 -4.660 0.572 1.00 0.00 C ATOM 1215 OG SER A 57 -15.229 -5.820 -0.125 1.00 0.00 O ATOM 0 H SER A 57 -13.326 -3.153 1.832 1.00 0.00 H new ATOM 0 HA SER A 57 -12.863 -4.895 -0.302 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.639 -4.905 1.620 1.00 0.00 H new ATOM 0 HB3 SER A 57 -15.604 -3.912 0.546 1.00 0.00 H new ATOM 0 HG SER A 57 -16.046 -6.173 0.286 1.00 0.00 H new ATOM 1221 N ASP A 58 -14.109 -2.001 -1.152 1.00 0.00 N ATOM 1222 CA ASP A 58 -14.438 -1.146 -2.285 1.00 0.00 C ATOM 1223 C ASP A 58 -13.227 -0.967 -3.196 1.00 0.00 C ATOM 1224 O ASP A 58 -13.350 -0.996 -4.421 1.00 0.00 O ATOM 1225 CB ASP A 58 -14.929 0.218 -1.796 1.00 0.00 C ATOM 1226 CG ASP A 58 -16.426 0.240 -1.553 1.00 0.00 C ATOM 1227 OD1 ASP A 58 -17.188 0.213 -2.543 1.00 0.00 O ATOM 1228 OD2 ASP A 58 -16.835 0.284 -0.375 1.00 0.00 O1- ATOM 0 H ASP A 58 -14.081 -1.519 -0.254 1.00 0.00 H new ATOM 0 HA ASP A 58 -15.233 -1.627 -2.855 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.410 0.479 -0.874 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.672 0.979 -2.533 1.00 0.00 H new ATOM 1233 N TYR A 59 -12.059 -0.784 -2.589 1.00 0.00 N ATOM 1234 CA TYR A 59 -10.825 -0.603 -3.345 1.00 0.00 C ATOM 1235 C TYR A 59 -10.199 -1.949 -3.710 1.00 0.00 C ATOM 1236 O TYR A 59 -9.313 -2.020 -4.561 1.00 0.00 O ATOM 1237 CB TYR A 59 -9.830 0.234 -2.541 1.00 0.00 C ATOM 1238 CG TYR A 59 -10.410 1.532 -2.027 1.00 0.00 C ATOM 1239 CD1 TYR A 59 -10.363 2.689 -2.795 1.00 0.00 C ATOM 1240 CD2 TYR A 59 -11.007 1.601 -0.773 1.00 0.00 C ATOM 1241 CE1 TYR A 59 -10.894 3.877 -2.329 1.00 0.00 C ATOM 1242 CE2 TYR A 59 -11.540 2.785 -0.301 1.00 0.00 C ATOM 1243 CZ TYR A 59 -11.481 3.920 -1.082 1.00 0.00 C ATOM 1244 OH TYR A 59 -12.009 5.101 -0.616 1.00 0.00 O ATOM 0 H TYR A 59 -11.941 -0.757 -1.576 1.00 0.00 H new ATOM 0 HA TYR A 59 -11.071 -0.079 -4.269 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -9.472 -0.354 -1.696 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.964 0.454 -3.166 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -9.904 2.660 -3.772 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -11.055 0.715 -0.158 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -10.849 4.767 -2.939 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -12.001 2.821 0.675 1.00 0.00 H new ATOM 0 HH TYR A 59 -12.325 5.639 -1.372 1.00 0.00 H new ATOM 1254 N ASN A 60 -10.666 -3.016 -3.063 1.00 0.00 N ATOM 1255 CA ASN A 60 -10.151 -4.356 -3.322 1.00 0.00 C ATOM 1256 C ASN A 60 -8.698 -4.477 -2.874 1.00 0.00 C ATOM 1257 O ASN A 60 -7.826 -4.867 -3.654 1.00 0.00 O ATOM 1258 CB ASN A 60 -10.273 -4.697 -4.810 1.00 0.00 C ATOM 1259 CG ASN A 60 -11.664 -4.431 -5.351 1.00 0.00 C ATOM 1260 OD1 ASN A 60 -11.975 -3.320 -5.779 1.00 0.00 O ATOM 1261 ND2 ASN A 60 -12.510 -5.455 -5.335 1.00 0.00 N ATOM 0 H ASN A 60 -11.400 -2.977 -2.356 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.748 -5.064 -2.747 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.548 -4.111 -5.375 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -10.022 -5.747 -4.961 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -13.460 -5.337 -5.687 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -12.209 -6.359 -4.971 1.00 0.00 H new ATOM 1268 N ILE A 61 -8.442 -4.144 -1.614 1.00 0.00 N ATOM 1269 CA ILE A 61 -7.095 -4.218 -1.063 1.00 0.00 C ATOM 1270 C ILE A 61 -6.843 -5.574 -0.412 1.00 0.00 C ATOM 1271 O ILE A 61 -7.216 -5.801 0.739 1.00 0.00 O ATOM 1272 CB ILE A 61 -6.846 -3.106 -0.025 1.00 0.00 C ATOM 1273 CG1 ILE A 61 -7.255 -1.746 -0.596 1.00 0.00 C ATOM 1274 CG2 ILE A 61 -5.384 -3.095 0.398 1.00 0.00 C ATOM 1275 CD1 ILE A 61 -7.471 -0.683 0.461 1.00 0.00 C ATOM 0 H ILE A 61 -9.150 -3.820 -0.955 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.405 -4.083 -1.896 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.456 -3.306 0.856 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.485 -1.406 -1.289 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.172 -1.865 -1.172 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.223 -2.305 1.131 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.126 -4.058 0.840 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.754 -2.915 -0.473 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.758 0.253 -0.018 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.262 -1.001 1.140 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.548 -0.535 1.022 1.00 0.00 H new ATOM 1287 N GLN A 62 -6.208 -6.472 -1.158 1.00 0.00 N ATOM 1288 CA GLN A 62 -5.905 -7.809 -0.657 1.00 0.00 C ATOM 1289 C GLN A 62 -5.015 -7.738 0.581 1.00 0.00 C ATOM 1290 O GLN A 62 -4.800 -6.663 1.141 1.00 0.00 O ATOM 1291 CB GLN A 62 -5.223 -8.641 -1.749 1.00 0.00 C ATOM 1292 CG GLN A 62 -4.146 -7.885 -2.510 1.00 0.00 C ATOM 1293 CD GLN A 62 -3.232 -8.806 -3.293 1.00 0.00 C ATOM 1294 OE1 GLN A 62 -3.582 -9.952 -3.579 1.00 0.00 O ATOM 1295 NE2 GLN A 62 -2.051 -8.310 -3.645 1.00 0.00 N ATOM 0 H GLN A 62 -5.893 -6.299 -2.112 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.843 -8.289 -0.377 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -4.780 -9.527 -1.295 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.978 -8.988 -2.454 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.617 -7.179 -3.194 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.552 -7.301 -1.807 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -1.802 -7.355 -3.387 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.394 -8.884 -4.173 1.00 0.00 H new ATOM 1304 N LYS A 63 -4.501 -8.888 1.005 1.00 0.00 N ATOM 1305 CA LYS A 63 -3.635 -8.951 2.176 1.00 0.00 C ATOM 1306 C LYS A 63 -2.166 -8.870 1.770 1.00 0.00 C ATOM 1307 O LYS A 63 -1.780 -9.341 0.701 1.00 0.00 O ATOM 1308 CB LYS A 63 -3.892 -10.241 2.961 1.00 0.00 C ATOM 1309 CG LYS A 63 -3.442 -11.499 2.236 1.00 0.00 C ATOM 1310 CD LYS A 63 -4.350 -12.675 2.543 1.00 0.00 C ATOM 1311 CE LYS A 63 -3.817 -13.504 3.700 1.00 0.00 C ATOM 1312 NZ LYS A 63 -3.393 -12.653 4.846 1.00 0.00 N1+ ATOM 0 H LYS A 63 -4.669 -9.788 0.555 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.865 -8.097 2.813 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.377 -10.181 3.920 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.958 -10.318 3.176 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.432 -11.317 1.161 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.420 -11.742 2.527 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.349 -12.311 2.785 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.445 -13.303 1.657 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.586 -14.201 4.031 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.971 -14.101 3.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.279 -13.244 5.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.488 -12.193 4.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.116 -11.927 5.025 1.00 0.00 H new ATOM 1326 N GLU A 64 -1.352 -8.268 2.631 1.00 0.00 N ATOM 1327 CA GLU A 64 0.075 -8.122 2.365 1.00 0.00 C ATOM 1328 C GLU A 64 0.317 -7.360 1.065 1.00 0.00 C ATOM 1329 O GLU A 64 1.367 -7.502 0.440 1.00 0.00 O ATOM 1330 CB GLU A 64 0.747 -9.494 2.298 1.00 0.00 C ATOM 1331 CG GLU A 64 1.048 -10.090 3.664 1.00 0.00 C ATOM 1332 CD GLU A 64 1.801 -11.403 3.573 1.00 0.00 C ATOM 1333 OE1 GLU A 64 2.448 -11.646 2.531 1.00 0.00 O ATOM 1334 OE2 GLU A 64 1.744 -12.189 4.542 1.00 0.00 O1- ATOM 0 H GLU A 64 -1.657 -7.873 3.521 1.00 0.00 H new ATOM 0 HA GLU A 64 0.511 -7.550 3.184 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.103 -10.178 1.746 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.677 -9.407 1.736 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.634 -9.379 4.246 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.113 -10.248 4.202 1.00 0.00 H new ATOM 1341 N SER A 65 -0.659 -6.550 0.664 1.00 0.00 N ATOM 1342 CA SER A 65 -0.543 -5.767 -0.560 1.00 0.00 C ATOM 1343 C SER A 65 0.387 -4.578 -0.348 1.00 0.00 C ATOM 1344 O SER A 65 1.061 -4.481 0.678 1.00 0.00 O ATOM 1345 CB SER A 65 -1.921 -5.276 -1.016 1.00 0.00 C ATOM 1346 OG SER A 65 -2.953 -5.851 -0.235 1.00 0.00 O ATOM 0 H SER A 65 -1.536 -6.420 1.168 1.00 0.00 H new ATOM 0 HA SER A 65 -0.123 -6.408 -1.335 1.00 0.00 H new ATOM 0 HB2 SER A 65 -1.966 -4.190 -0.940 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.071 -5.529 -2.065 1.00 0.00 H new ATOM 0 HG SER A 65 -3.304 -5.181 0.388 1.00 0.00 H new ATOM 1352 N THR A 66 0.420 -3.675 -1.322 1.00 0.00 N ATOM 1353 CA THR A 66 1.269 -2.494 -1.233 1.00 0.00 C ATOM 1354 C THR A 66 0.453 -1.219 -1.419 1.00 0.00 C ATOM 1355 O THR A 66 0.153 -0.820 -2.544 1.00 0.00 O ATOM 1356 CB THR A 66 2.393 -2.560 -2.270 1.00 0.00 C ATOM 1357 OG1 THR A 66 2.255 -3.706 -3.093 1.00 0.00 O ATOM 1358 CG2 THR A 66 3.770 -2.605 -1.645 1.00 0.00 C ATOM 0 H THR A 66 -0.129 -3.738 -2.179 1.00 0.00 H new ATOM 0 HA THR A 66 1.712 -2.474 -0.238 1.00 0.00 H new ATOM 0 HB THR A 66 2.303 -1.646 -2.857 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.983 -3.727 -3.749 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.525 -2.651 -2.430 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.926 -1.709 -1.044 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.853 -3.487 -1.010 1.00 0.00 H new ATOM 1366 N LEU A 67 0.100 -0.584 -0.305 1.00 0.00 N ATOM 1367 CA LEU A 67 -0.678 0.648 -0.343 1.00 0.00 C ATOM 1368 C LEU A 67 0.232 1.850 -0.583 1.00 0.00 C ATOM 1369 O LEU A 67 1.323 1.935 -0.021 1.00 0.00 O ATOM 1370 CB LEU A 67 -1.457 0.825 0.965 1.00 0.00 C ATOM 1371 CG LEU A 67 -2.898 0.306 0.953 1.00 0.00 C ATOM 1372 CD1 LEU A 67 -3.664 0.827 2.159 1.00 0.00 C ATOM 1373 CD2 LEU A 67 -3.609 0.695 -0.335 1.00 0.00 C ATOM 0 H LEU A 67 0.341 -0.903 0.634 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.388 0.582 -1.168 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.914 0.317 1.762 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.474 1.886 1.216 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.863 -0.782 1.006 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.685 0.448 2.133 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.175 0.491 3.073 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.681 1.917 2.136 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.630 0.314 -0.316 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.629 1.781 -0.426 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.078 0.269 -1.187 1.00 0.00 H new ATOM 1385 N HIS A 68 -0.218 2.771 -1.430 1.00 0.00 N ATOM 1386 CA HIS A 68 0.564 3.960 -1.747 1.00 0.00 C ATOM 1387 C HIS A 68 0.261 5.098 -0.778 1.00 0.00 C ATOM 1388 O HIS A 68 -0.772 5.760 -0.884 1.00 0.00 O ATOM 1389 CB HIS A 68 0.286 4.412 -3.182 1.00 0.00 C ATOM 1390 CG HIS A 68 0.707 3.414 -4.216 1.00 0.00 C ATOM 1391 ND1 HIS A 68 1.267 3.773 -5.423 1.00 0.00 N ATOM 1392 CD2 HIS A 68 0.649 2.061 -4.217 1.00 0.00 C ATOM 1393 CE1 HIS A 68 1.534 2.684 -6.123 1.00 0.00 C ATOM 1394 NE2 HIS A 68 1.170 1.633 -5.414 1.00 0.00 N ATOM 0 H HIS A 68 -1.118 2.717 -1.908 1.00 0.00 H new ATOM 0 HA HIS A 68 1.618 3.700 -1.649 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -0.780 4.609 -3.292 1.00 0.00 H new ATOM 0 HB3 HIS A 68 0.805 5.353 -3.365 1.00 0.00 H new ATOM 0 HD2 HIS A 68 0.265 1.435 -3.425 1.00 0.00 H new ATOM 0 HE1 HIS A 68 1.975 2.659 -7.108 1.00 0.00 H new ATOM 0 HE2 HIS A 68 1.261 0.660 -5.707 1.00 0.00 H new ATOM 1403 N LEU A 69 1.172 5.325 0.162 1.00 0.00 N ATOM 1404 CA LEU A 69 1.009 6.385 1.149 1.00 0.00 C ATOM 1405 C LEU A 69 1.622 7.690 0.649 1.00 0.00 C ATOM 1406 O LEU A 69 2.548 7.681 -0.163 1.00 0.00 O ATOM 1407 CB LEU A 69 1.658 5.983 2.475 1.00 0.00 C ATOM 1408 CG LEU A 69 1.077 6.662 3.712 1.00 0.00 C ATOM 1409 CD1 LEU A 69 1.093 5.715 4.904 1.00 0.00 C ATOM 1410 CD2 LEU A 69 1.857 7.922 4.020 1.00 0.00 C ATOM 0 H LEU A 69 2.033 4.787 0.261 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.059 6.539 1.306 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.565 4.904 2.595 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.723 6.207 2.423 1.00 0.00 H new ATOM 0 HG LEU A 69 0.040 6.930 3.511 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.675 6.219 5.775 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.497 4.832 4.675 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.119 5.415 5.117 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.438 8.403 4.904 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.901 7.668 4.206 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.795 8.605 3.172 1.00 0.00 H new ATOM 1422 N VAL A 70 1.104 8.809 1.142 1.00 0.00 N ATOM 1423 CA VAL A 70 1.603 10.120 0.746 1.00 0.00 C ATOM 1424 C VAL A 70 1.809 11.017 1.961 1.00 0.00 C ATOM 1425 O VAL A 70 0.876 11.671 2.428 1.00 0.00 O ATOM 1426 CB VAL A 70 0.642 10.817 -0.234 1.00 0.00 C ATOM 1427 CG1 VAL A 70 1.279 12.076 -0.804 1.00 0.00 C ATOM 1428 CG2 VAL A 70 0.233 9.866 -1.350 1.00 0.00 C ATOM 0 H VAL A 70 0.339 8.835 1.816 1.00 0.00 H new ATOM 0 HA VAL A 70 2.559 9.957 0.249 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.256 11.107 0.312 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.584 12.555 -1.494 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.515 12.764 0.008 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.194 11.813 -1.334 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.446 10.377 -2.033 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.120 9.542 -1.895 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.268 8.997 -0.923 1.00 0.00 H new ATOM 1438 N LEU A 71 3.037 11.044 2.469 1.00 0.00 N ATOM 1439 CA LEU A 71 3.367 11.861 3.631 1.00 0.00 C ATOM 1440 C LEU A 71 3.436 13.338 3.255 1.00 0.00 C ATOM 1441 O LEU A 71 4.316 13.756 2.502 1.00 0.00 O ATOM 1442 CB LEU A 71 4.699 11.414 4.235 1.00 0.00 C ATOM 1443 CG LEU A 71 4.797 9.920 4.553 1.00 0.00 C ATOM 1444 CD1 LEU A 71 6.201 9.565 5.017 1.00 0.00 C ATOM 1445 CD2 LEU A 71 3.771 9.532 5.607 1.00 0.00 C ATOM 0 H LEU A 71 3.820 10.509 2.094 1.00 0.00 H new ATOM 0 HA LEU A 71 2.579 11.729 4.372 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.500 11.676 3.544 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.872 11.977 5.152 1.00 0.00 H new ATOM 0 HG LEU A 71 4.584 9.359 3.643 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.252 8.499 5.239 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.916 9.807 4.231 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.442 10.134 5.915 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.854 8.467 5.821 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.953 10.101 6.519 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.769 9.750 5.237 1.00 0.00 H new ATOM 1457 N ARG A 72 2.503 14.123 3.783 1.00 0.00 N ATOM 1458 CA ARG A 72 2.459 15.554 3.504 1.00 0.00 C ATOM 1459 C ARG A 72 3.560 16.290 4.259 1.00 0.00 C ATOM 1460 O ARG A 72 3.976 15.868 5.338 1.00 0.00 O ATOM 1461 CB ARG A 72 1.092 16.127 3.883 1.00 0.00 C ATOM 1462 CG ARG A 72 0.900 17.574 3.459 1.00 0.00 C ATOM 1463 CD ARG A 72 -0.560 17.881 3.160 1.00 0.00 C ATOM 1464 NE ARG A 72 -1.072 18.967 3.993 1.00 0.00 N ATOM 1465 CZ ARG A 72 -1.453 18.813 5.259 1.00 0.00 C ATOM 1466 NH1 ARG A 72 -1.381 17.623 5.842 1.00 0.00 N1+ ATOM 1467 NH2 ARG A 72 -1.906 19.854 5.945 1.00 0.00 N ATOM 0 H ARG A 72 1.767 13.792 4.407 1.00 0.00 H new ATOM 0 HA ARG A 72 2.620 15.696 2.435 1.00 0.00 H new ATOM 0 HB2 ARG A 72 0.312 15.517 3.427 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.963 16.053 4.963 1.00 0.00 H new ATOM 0 HG2 ARG A 72 1.257 18.235 4.248 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.504 17.778 2.575 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.666 18.149 2.109 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.160 16.985 3.323 1.00 0.00 H new ATOM 0 HE ARG A 72 -1.141 19.897 3.580 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -1.032 16.819 5.320 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -1.675 17.512 6.813 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -1.962 20.771 5.502 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -2.198 19.737 6.915 1.00 0.00 H new