USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=14 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 :FLIP amide:sc= 0.604 F(o=-1.7,f=1.3) USER MOD Set 1.2: A 29 LYS NZ :NH3+ -120:sc= 0.672 (180deg=0) USER MOD Set 2.1: A 7 THR OG1 : rot 121:sc= 0.367 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.367 USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) 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= -1.05 USER MOD Single : A 14 THR OG1 : rot -49:sc= 1.06 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -138:sc= -3.28 (180deg=-9.35!) USER MOD Single : A 31 GLN : amide:sc= -1.6 K(o=-1.6,f=-3.5) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.378 X(o=-0.38,f=-0.38) USER MOD Single : A 41 GLN : amide:sc= -3.11 K(o=-3.1,f=-8.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc=-0.00576 X(o=-0.0058,f=-0.033) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0947 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -79:sc= -0.713 USER MOD Single : A 60 ASN : amide:sc=-0.00624 X(o=-0.0062,f=-0.46) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -100:sc= -0.734 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0567 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 326 N GLN A 2 -3.165 -8.407 7.079 1.00 0.00 N ATOM 327 CA GLN A 2 -1.897 -7.716 7.289 1.00 0.00 C ATOM 328 C GLN A 2 -1.345 -7.184 5.971 1.00 0.00 C ATOM 329 O GLN A 2 -0.588 -7.870 5.282 1.00 0.00 O ATOM 330 CB GLN A 2 -0.883 -8.658 7.942 1.00 0.00 C ATOM 331 CG GLN A 2 -0.728 -8.443 9.439 1.00 0.00 C ATOM 332 CD GLN A 2 0.165 -9.480 10.088 1.00 0.00 C ATOM 333 OE1 GLN A 2 -0.229 -10.633 10.266 1.00 0.00 O ATOM 334 NE2 GLN A 2 1.379 -9.076 10.445 1.00 0.00 N ATOM 0 HA GLN A 2 -2.075 -6.870 7.953 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -1.188 -9.689 7.761 1.00 0.00 H new ATOM 0 HB3 GLN A 2 0.086 -8.524 7.462 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -0.315 -7.450 9.619 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -1.711 -8.470 9.910 1.00 0.00 H new ATOM 0 HE21 GLN A 2 1.665 -8.111 10.279 1.00 0.00 H new ATOM 0 HE22 GLN A 2 2.025 -9.731 10.885 1.00 0.00 H new ATOM 343 N ILE A 3 -1.726 -5.959 5.626 1.00 0.00 N ATOM 344 CA ILE A 3 -1.268 -5.335 4.390 1.00 0.00 C ATOM 345 C ILE A 3 0.046 -4.594 4.607 1.00 0.00 C ATOM 346 O ILE A 3 0.511 -4.462 5.738 1.00 0.00 O ATOM 347 CB ILE A 3 -2.314 -4.351 3.835 1.00 0.00 C ATOM 348 CG1 ILE A 3 -2.748 -3.367 4.923 1.00 0.00 C ATOM 349 CG2 ILE A 3 -3.515 -5.106 3.286 1.00 0.00 C ATOM 350 CD1 ILE A 3 -3.292 -2.068 4.382 1.00 0.00 C ATOM 0 H ILE A 3 -2.351 -5.378 6.185 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.117 -6.136 3.667 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.862 -3.786 3.020 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.509 -3.839 5.545 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.896 -3.153 5.569 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.245 -4.396 2.898 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.192 -5.770 2.484 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.970 -5.695 4.083 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.579 -1.421 5.211 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.526 -1.574 3.784 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.164 -2.270 3.760 1.00 0.00 H new ATOM 362 N PHE A 4 0.640 -4.111 3.522 1.00 0.00 N ATOM 363 CA PHE A 4 1.899 -3.383 3.607 1.00 0.00 C ATOM 364 C PHE A 4 1.766 -1.986 3.011 1.00 0.00 C ATOM 365 O PHE A 4 1.788 -1.814 1.792 1.00 0.00 O ATOM 366 CB PHE A 4 3.018 -4.161 2.906 1.00 0.00 C ATOM 367 CG PHE A 4 4.035 -4.710 3.864 1.00 0.00 C ATOM 368 CD1 PHE A 4 4.694 -3.869 4.741 1.00 0.00 C ATOM 369 CD2 PHE A 4 4.316 -6.066 3.902 1.00 0.00 C ATOM 370 CE1 PHE A 4 5.617 -4.363 5.642 1.00 0.00 C ATOM 371 CE2 PHE A 4 5.241 -6.569 4.797 1.00 0.00 C ATOM 372 CZ PHE A 4 5.893 -5.716 5.669 1.00 0.00 C ATOM 0 H PHE A 4 0.271 -4.210 2.576 1.00 0.00 H new ATOM 0 HA PHE A 4 2.156 -3.277 4.661 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.582 -4.982 2.337 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.516 -3.506 2.191 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.484 -2.810 4.721 1.00 0.00 H new ATOM 0 HD2 PHE A 4 3.807 -6.737 3.225 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.121 -3.693 6.323 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.455 -7.627 4.816 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.616 -6.107 6.369 1.00 0.00 H new ATOM 382 N VAL A 5 1.630 -0.991 3.881 1.00 0.00 N ATOM 383 CA VAL A 5 1.497 0.392 3.446 1.00 0.00 C ATOM 384 C VAL A 5 2.849 0.965 3.033 1.00 0.00 C ATOM 385 O VAL A 5 3.734 1.152 3.869 1.00 0.00 O ATOM 386 CB VAL A 5 0.892 1.277 4.553 1.00 0.00 C ATOM 387 CG1 VAL A 5 0.592 2.670 4.022 1.00 0.00 C ATOM 388 CG2 VAL A 5 -0.363 0.634 5.124 1.00 0.00 C ATOM 0 H VAL A 5 1.609 -1.118 4.893 1.00 0.00 H new ATOM 0 HA VAL A 5 0.825 0.392 2.588 1.00 0.00 H new ATOM 0 HB VAL A 5 1.623 1.371 5.356 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.166 3.279 4.819 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.514 3.130 3.667 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.119 2.600 3.199 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.776 1.273 5.904 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.100 0.507 4.331 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.113 -0.339 5.547 1.00 0.00 H new ATOM 398 N LYS A 6 3.000 1.234 1.740 1.00 0.00 N ATOM 399 CA LYS A 6 4.245 1.781 1.212 1.00 0.00 C ATOM 400 C LYS A 6 4.134 3.288 1.001 1.00 0.00 C ATOM 401 O LYS A 6 3.136 3.778 0.473 1.00 0.00 O ATOM 402 CB LYS A 6 4.605 1.098 -0.108 1.00 0.00 C ATOM 403 CG LYS A 6 6.088 1.157 -0.439 1.00 0.00 C ATOM 404 CD LYS A 6 6.320 1.328 -1.932 1.00 0.00 C ATOM 405 CE LYS A 6 7.802 1.344 -2.267 1.00 0.00 C ATOM 406 NZ LYS A 6 8.048 1.730 -3.683 1.00 0.00 N1+ ATOM 0 H LYS A 6 2.275 1.082 1.038 1.00 0.00 H new ATOM 0 HA LYS A 6 5.033 1.592 1.941 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.292 0.055 -0.065 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.042 1.567 -0.915 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.549 1.985 0.099 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.575 0.244 -0.096 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.833 0.516 -2.472 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.860 2.257 -2.269 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.316 2.042 -1.606 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.227 0.358 -2.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.071 1.729 -3.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.579 1.050 -4.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.666 2.682 -3.855 1.00 0.00 H new ATOM 420 N THR A 7 5.166 4.018 1.414 1.00 0.00 N ATOM 421 CA THR A 7 5.180 5.470 1.266 1.00 0.00 C ATOM 422 C THR A 7 5.990 5.883 0.041 1.00 0.00 C ATOM 423 O THR A 7 6.636 5.053 -0.599 1.00 0.00 O ATOM 424 CB THR A 7 5.757 6.133 2.519 1.00 0.00 C ATOM 425 OG1 THR A 7 7.172 6.082 2.509 1.00 0.00 O ATOM 426 CG2 THR A 7 5.282 5.499 3.809 1.00 0.00 C ATOM 0 H THR A 7 6.001 3.630 1.852 1.00 0.00 H new ATOM 0 HA THR A 7 4.151 5.803 1.132 1.00 0.00 H new ATOM 0 HB THR A 7 5.399 7.162 2.488 1.00 0.00 H new ATOM 0 HG1 THR A 7 7.532 6.993 2.537 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.730 6.018 4.656 1.00 0.00 H new ATOM 0 HG22 THR A 7 4.196 5.571 3.872 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.577 4.450 3.829 1.00 0.00 H new ATOM 434 N LEU A 8 5.951 7.172 -0.281 1.00 0.00 N ATOM 435 CA LEU A 8 6.681 7.696 -1.430 1.00 0.00 C ATOM 436 C LEU A 8 8.187 7.612 -1.207 1.00 0.00 C ATOM 437 O LEU A 8 8.929 7.157 -2.076 1.00 0.00 O ATOM 438 CB LEU A 8 6.275 9.146 -1.701 1.00 0.00 C ATOM 439 CG LEU A 8 5.031 9.317 -2.575 1.00 0.00 C ATOM 440 CD1 LEU A 8 4.118 10.394 -2.018 1.00 0.00 C ATOM 441 CD2 LEU A 8 5.422 9.671 -3.995 1.00 0.00 C ATOM 0 H LEU A 8 5.422 7.873 0.238 1.00 0.00 H new ATOM 0 HA LEU A 8 6.427 7.085 -2.296 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.101 9.643 -0.747 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.110 9.658 -2.180 1.00 0.00 H new ATOM 0 HG LEU A 8 4.495 8.368 -2.576 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.242 10.495 -2.658 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.802 10.119 -1.012 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.653 11.343 -1.984 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.524 9.788 -4.601 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.985 10.605 -3.995 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.039 8.875 -4.412 1.00 0.00 H new ATOM 453 N THR A 9 8.632 8.055 -0.035 1.00 0.00 N ATOM 454 CA THR A 9 10.051 8.031 0.304 1.00 0.00 C ATOM 455 C THR A 9 10.611 6.614 0.212 1.00 0.00 C ATOM 456 O THR A 9 11.797 6.423 -0.060 1.00 0.00 O ATOM 457 CB THR A 9 10.269 8.587 1.712 1.00 0.00 C ATOM 458 OG1 THR A 9 9.211 8.204 2.572 1.00 0.00 O ATOM 459 CG2 THR A 9 10.369 10.096 1.750 1.00 0.00 C ATOM 0 H THR A 9 8.030 8.435 0.696 1.00 0.00 H new ATOM 0 HA THR A 9 10.580 8.658 -0.414 1.00 0.00 H new ATOM 0 HB THR A 9 11.219 8.168 2.044 1.00 0.00 H new ATOM 0 HG1 THR A 9 9.370 8.568 3.468 1.00 0.00 H new ATOM 0 HG21 THR A 9 10.523 10.425 2.778 1.00 0.00 H new ATOM 0 HG22 THR A 9 11.209 10.421 1.135 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.447 10.532 1.364 1.00 0.00 H new ATOM 467 N GLY A 10 9.752 5.626 0.442 1.00 0.00 N ATOM 468 CA GLY A 10 10.182 4.241 0.381 1.00 0.00 C ATOM 469 C GLY A 10 10.122 3.557 1.732 1.00 0.00 C ATOM 470 O GLY A 10 11.156 3.241 2.321 1.00 0.00 O ATOM 0 H GLY A 10 8.767 5.760 0.669 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.553 3.699 -0.326 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.202 4.197 -0.001 1.00 0.00 H new ATOM 474 N LYS A 11 8.909 3.329 2.225 1.00 0.00 N ATOM 475 CA LYS A 11 8.719 2.680 3.515 1.00 0.00 C ATOM 476 C LYS A 11 7.454 1.828 3.517 1.00 0.00 C ATOM 477 O LYS A 11 6.341 2.353 3.495 1.00 0.00 O ATOM 478 CB LYS A 11 8.641 3.723 4.630 1.00 0.00 C ATOM 479 CG LYS A 11 8.486 3.120 6.017 1.00 0.00 C ATOM 480 CD LYS A 11 9.827 2.823 6.654 1.00 0.00 C ATOM 481 CE LYS A 11 9.924 1.375 7.110 1.00 0.00 C ATOM 482 NZ LYS A 11 11.292 1.034 7.588 1.00 0.00 N1+ ATOM 0 H LYS A 11 8.043 3.585 1.750 1.00 0.00 H new ATOM 0 HA LYS A 11 9.576 2.030 3.692 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.543 4.335 4.608 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.800 4.388 4.436 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.926 3.807 6.652 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.904 2.201 5.951 1.00 0.00 H new ATOM 0 HD2 LYS A 11 10.624 3.034 5.941 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.979 3.484 7.507 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.205 1.197 7.910 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.653 0.716 6.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.316 0.039 7.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.975 1.179 6.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.541 1.646 8.391 1.00 0.00 H new ATOM 496 N THR A 12 7.636 0.513 3.550 1.00 0.00 N ATOM 497 CA THR A 12 6.513 -0.416 3.563 1.00 0.00 C ATOM 498 C THR A 12 6.388 -1.085 4.927 1.00 0.00 C ATOM 499 O THR A 12 7.272 -1.834 5.342 1.00 0.00 O ATOM 500 CB THR A 12 6.690 -1.477 2.475 1.00 0.00 C ATOM 501 OG1 THR A 12 7.556 -1.011 1.456 1.00 0.00 O ATOM 502 CG2 THR A 12 5.389 -1.887 1.820 1.00 0.00 C ATOM 0 H THR A 12 8.553 0.066 3.568 1.00 0.00 H new ATOM 0 HA THR A 12 5.600 0.146 3.365 1.00 0.00 H new ATOM 0 HB THR A 12 7.110 -2.344 2.984 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.658 -1.704 0.771 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.587 -2.641 1.059 1.00 0.00 H new ATOM 0 HG22 THR A 12 4.717 -2.299 2.573 1.00 0.00 H new ATOM 0 HG23 THR A 12 4.925 -1.017 1.356 1.00 0.00 H new ATOM 510 N ILE A 13 5.292 -0.808 5.626 1.00 0.00 N ATOM 511 CA ILE A 13 5.074 -1.386 6.949 1.00 0.00 C ATOM 512 C ILE A 13 3.850 -2.296 6.980 1.00 0.00 C ATOM 513 O ILE A 13 2.826 -2.005 6.361 1.00 0.00 O ATOM 514 CB ILE A 13 4.906 -0.300 8.025 1.00 0.00 C ATOM 515 CG1 ILE A 13 6.178 0.513 8.167 1.00 0.00 C ATOM 516 CG2 ILE A 13 4.559 -0.934 9.349 1.00 0.00 C ATOM 517 CD1 ILE A 13 7.363 -0.321 8.550 1.00 0.00 C ATOM 0 H ILE A 13 4.546 -0.192 5.303 1.00 0.00 H new ATOM 0 HA ILE A 13 5.964 -1.976 7.166 1.00 0.00 H new ATOM 0 HB ILE A 13 4.098 0.364 7.719 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.386 1.020 7.225 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.026 1.287 8.919 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.442 -0.157 10.105 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.627 -1.490 9.253 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.357 -1.613 9.647 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.243 0.316 8.637 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.172 -0.808 9.506 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.537 -1.079 7.786 1.00 0.00 H new ATOM 529 N THR A 14 3.967 -3.397 7.719 1.00 0.00 N ATOM 530 CA THR A 14 2.872 -4.349 7.850 1.00 0.00 C ATOM 531 C THR A 14 1.809 -3.804 8.792 1.00 0.00 C ATOM 532 O THR A 14 2.035 -3.681 9.996 1.00 0.00 O ATOM 533 CB THR A 14 3.389 -5.693 8.367 1.00 0.00 C ATOM 534 OG1 THR A 14 4.784 -5.813 8.155 1.00 0.00 O ATOM 535 CG2 THR A 14 2.719 -6.881 7.710 1.00 0.00 C ATOM 0 H THR A 14 4.810 -3.650 8.235 1.00 0.00 H new ATOM 0 HA THR A 14 2.429 -4.500 6.866 1.00 0.00 H new ATOM 0 HB THR A 14 3.153 -5.703 9.431 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.995 -5.580 7.227 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.130 -7.803 8.120 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.646 -6.845 7.901 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.898 -6.851 6.635 1.00 0.00 H new ATOM 543 N LEU A 15 0.655 -3.469 8.236 1.00 0.00 N ATOM 544 CA LEU A 15 -0.442 -2.926 9.022 1.00 0.00 C ATOM 545 C LEU A 15 -1.721 -3.720 8.785 1.00 0.00 C ATOM 546 O LEU A 15 -2.148 -3.909 7.645 1.00 0.00 O ATOM 547 CB LEU A 15 -0.645 -1.451 8.668 1.00 0.00 C ATOM 548 CG LEU A 15 -1.375 -0.617 9.721 1.00 0.00 C ATOM 549 CD1 LEU A 15 -2.717 -1.241 10.060 1.00 0.00 C ATOM 550 CD2 LEU A 15 -0.520 -0.471 10.970 1.00 0.00 C ATOM 0 H LEU A 15 0.454 -3.564 7.241 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.193 -3.005 10.080 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.331 -1.001 8.486 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.202 -1.393 7.733 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.555 0.376 9.310 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.222 -0.633 10.811 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.332 -1.292 9.161 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.562 -2.247 10.451 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.055 0.125 11.709 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.309 -1.457 11.383 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.417 0.024 10.714 1.00 0.00 H new ATOM 562 N GLU A 16 -2.324 -4.191 9.872 1.00 0.00 N ATOM 563 CA GLU A 16 -3.551 -4.973 9.790 1.00 0.00 C ATOM 564 C GLU A 16 -4.776 -4.069 9.732 1.00 0.00 C ATOM 565 O GLU A 16 -4.923 -3.151 10.538 1.00 0.00 O ATOM 566 CB GLU A 16 -3.657 -5.919 10.988 1.00 0.00 C ATOM 567 CG GLU A 16 -4.574 -7.094 10.752 1.00 0.00 C ATOM 568 CD GLU A 16 -6.037 -6.740 10.930 1.00 0.00 C ATOM 569 OE1 GLU A 16 -6.334 -5.824 11.726 1.00 0.00 O ATOM 570 OE2 GLU A 16 -6.887 -7.379 10.274 1.00 0.00 O1- ATOM 0 H GLU A 16 -1.981 -4.044 10.821 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.515 -5.559 8.872 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.662 -6.289 11.237 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.014 -5.359 11.852 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.417 -7.475 9.743 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.313 -7.898 11.441 1.00 0.00 H new ATOM 577 N VAL A 17 -5.655 -4.339 8.774 1.00 0.00 N ATOM 578 CA VAL A 17 -6.873 -3.556 8.607 1.00 0.00 C ATOM 579 C VAL A 17 -8.009 -4.419 8.069 1.00 0.00 C ATOM 580 O VAL A 17 -7.908 -4.988 6.981 1.00 0.00 O ATOM 581 CB VAL A 17 -6.652 -2.365 7.656 1.00 0.00 C ATOM 582 CG1 VAL A 17 -5.871 -1.261 8.352 1.00 0.00 C ATOM 583 CG2 VAL A 17 -5.940 -2.818 6.391 1.00 0.00 C ATOM 0 H VAL A 17 -5.546 -5.096 8.100 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.143 -3.176 9.592 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.625 -1.964 7.374 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.725 -0.429 7.663 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.426 -0.917 9.225 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.901 -1.645 8.667 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.792 -1.963 5.731 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.972 -3.247 6.652 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.544 -3.569 5.882 1.00 0.00 H new ATOM 593 N GLU A 18 -9.090 -4.513 8.836 1.00 0.00 N ATOM 594 CA GLU A 18 -10.244 -5.310 8.435 1.00 0.00 C ATOM 595 C GLU A 18 -10.824 -4.800 7.116 1.00 0.00 C ATOM 596 O GLU A 18 -10.872 -3.593 6.878 1.00 0.00 O ATOM 597 CB GLU A 18 -11.316 -5.275 9.525 1.00 0.00 C ATOM 598 CG GLU A 18 -10.816 -5.733 10.885 1.00 0.00 C ATOM 599 CD GLU A 18 -10.655 -7.239 10.971 1.00 0.00 C ATOM 600 OE1 GLU A 18 -9.587 -7.744 10.570 1.00 0.00 O ATOM 601 OE2 GLU A 18 -11.598 -7.910 11.440 1.00 0.00 O1- ATOM 0 H GLU A 18 -9.191 -4.048 9.738 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.914 -6.339 8.293 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.701 -4.259 9.612 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.151 -5.907 9.222 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.858 -5.256 11.095 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.513 -5.401 11.655 1.00 0.00 H new ATOM 608 N PRO A 19 -11.273 -5.714 6.237 1.00 0.00 N ATOM 609 CA PRO A 19 -11.848 -5.340 4.941 1.00 0.00 C ATOM 610 C PRO A 19 -13.042 -4.403 5.088 1.00 0.00 C ATOM 611 O PRO A 19 -13.271 -3.535 4.245 1.00 0.00 O ATOM 612 CB PRO A 19 -12.296 -6.678 4.340 1.00 0.00 C ATOM 613 CG PRO A 19 -11.489 -7.709 5.049 1.00 0.00 C ATOM 614 CD PRO A 19 -11.254 -7.175 6.433 1.00 0.00 C ATOM 0 HA PRO A 19 -11.130 -4.801 4.323 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.363 -6.840 4.490 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -12.117 -6.707 3.265 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -12.017 -8.662 5.083 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.545 -7.887 4.534 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -12.030 -7.498 7.127 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.301 -7.515 6.839 1.00 0.00 H new ATOM 622 N SER A 20 -13.802 -4.585 6.163 1.00 0.00 N ATOM 623 CA SER A 20 -14.976 -3.757 6.420 1.00 0.00 C ATOM 624 C SER A 20 -14.621 -2.564 7.304 1.00 0.00 C ATOM 625 O SER A 20 -15.313 -2.275 8.281 1.00 0.00 O ATOM 626 CB SER A 20 -16.076 -4.589 7.080 1.00 0.00 C ATOM 627 OG SER A 20 -16.730 -5.415 6.132 1.00 0.00 O ATOM 0 H SER A 20 -13.626 -5.298 6.871 1.00 0.00 H new ATOM 0 HA SER A 20 -15.340 -3.379 5.464 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.646 -5.206 7.869 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.802 -3.928 7.553 1.00 0.00 H new ATOM 0 HG SER A 20 -17.428 -5.938 6.580 1.00 0.00 H new ATOM 633 N ASP A 21 -13.541 -1.874 6.954 1.00 0.00 N ATOM 634 CA ASP A 21 -13.097 -0.712 7.714 1.00 0.00 C ATOM 635 C ASP A 21 -12.783 0.456 6.785 1.00 0.00 C ATOM 636 O ASP A 21 -12.348 0.259 5.650 1.00 0.00 O ATOM 637 CB ASP A 21 -11.864 -1.061 8.549 1.00 0.00 C ATOM 638 CG ASP A 21 -12.216 -1.832 9.806 1.00 0.00 C ATOM 639 OD1 ASP A 21 -13.292 -2.467 9.831 1.00 0.00 O ATOM 640 OD2 ASP A 21 -11.416 -1.803 10.765 1.00 0.00 O1- ATOM 0 H ASP A 21 -12.957 -2.099 6.149 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.906 -0.415 8.382 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.175 -1.651 7.945 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -11.343 -0.144 8.823 1.00 0.00 H new ATOM 645 N THR A 22 -13.006 1.671 7.274 1.00 0.00 N ATOM 646 CA THR A 22 -12.746 2.870 6.486 1.00 0.00 C ATOM 647 C THR A 22 -11.269 3.243 6.538 1.00 0.00 C ATOM 648 O THR A 22 -10.503 2.677 7.317 1.00 0.00 O ATOM 649 CB THR A 22 -13.597 4.034 6.997 1.00 0.00 C ATOM 650 OG1 THR A 22 -13.100 4.513 8.234 1.00 0.00 O ATOM 651 CG2 THR A 22 -15.052 3.671 7.196 1.00 0.00 C ATOM 0 H THR A 22 -13.366 1.851 8.211 1.00 0.00 H new ATOM 0 HA THR A 22 -13.013 2.661 5.450 1.00 0.00 H new ATOM 0 HB THR A 22 -13.534 4.799 6.223 1.00 0.00 H new ATOM 0 HG1 THR A 22 -13.656 5.258 8.544 1.00 0.00 H new ATOM 0 HG21 THR A 22 -15.598 4.542 7.559 1.00 0.00 H new ATOM 0 HG22 THR A 22 -15.479 3.345 6.247 1.00 0.00 H new ATOM 0 HG23 THR A 22 -15.129 2.864 7.925 1.00 0.00 H new ATOM 659 N ILE A 23 -10.874 4.199 5.703 1.00 0.00 N ATOM 660 CA ILE A 23 -9.488 4.645 5.658 1.00 0.00 C ATOM 661 C ILE A 23 -9.059 5.233 6.998 1.00 0.00 C ATOM 662 O ILE A 23 -7.898 5.123 7.392 1.00 0.00 O ATOM 663 CB ILE A 23 -9.266 5.696 4.551 1.00 0.00 C ATOM 664 CG1 ILE A 23 -9.814 5.188 3.216 1.00 0.00 C ATOM 665 CG2 ILE A 23 -7.788 6.034 4.428 1.00 0.00 C ATOM 666 CD1 ILE A 23 -9.221 3.865 2.784 1.00 0.00 C ATOM 0 H ILE A 23 -11.494 4.678 5.050 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.881 3.767 5.437 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.805 6.604 4.822 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.896 5.084 3.293 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.619 5.933 2.445 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.649 6.777 3.643 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.426 6.435 5.375 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.228 5.133 4.178 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.655 3.566 1.830 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.141 3.968 2.675 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.439 3.106 3.535 1.00 0.00 H new ATOM 678 N GLU A 24 -10.004 5.858 7.692 1.00 0.00 N ATOM 679 CA GLU A 24 -9.724 6.464 8.989 1.00 0.00 C ATOM 680 C GLU A 24 -9.207 5.423 9.977 1.00 0.00 C ATOM 681 O GLU A 24 -8.283 5.691 10.743 1.00 0.00 O ATOM 682 CB GLU A 24 -10.980 7.136 9.546 1.00 0.00 C ATOM 683 CG GLU A 24 -10.698 8.421 10.306 1.00 0.00 C ATOM 684 CD GLU A 24 -10.357 8.173 11.762 1.00 0.00 C ATOM 685 OE1 GLU A 24 -10.985 7.287 12.377 1.00 0.00 O1- ATOM 686 OE2 GLU A 24 -9.462 8.867 12.288 1.00 0.00 O ATOM 0 H GLU A 24 -10.970 5.958 7.379 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.951 7.219 8.848 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.661 7.353 8.723 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.492 6.438 10.208 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.872 8.948 9.828 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.570 9.073 10.247 1.00 0.00 H new ATOM 693 N ASN A 25 -9.804 4.235 9.952 1.00 0.00 N ATOM 694 CA ASN A 25 -9.394 3.153 10.843 1.00 0.00 C ATOM 695 C ASN A 25 -7.976 2.699 10.513 1.00 0.00 C ATOM 696 O ASN A 25 -7.222 2.271 11.390 1.00 0.00 O ATOM 697 CB ASN A 25 -10.363 1.974 10.729 1.00 0.00 C ATOM 698 CG ASN A 25 -10.478 1.193 12.022 1.00 0.00 C ATOM 699 OD1 ASN A 25 -9.459 0.397 12.326 1.00 0.00 O flip ATOM 700 ND2 ASN A 25 -11.471 1.302 12.742 1.00 0.00 N flip ATOM 0 H ASN A 25 -10.573 3.997 9.325 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.412 3.525 11.867 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.348 2.343 10.442 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.028 1.308 9.934 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -12.232 1.925 12.471 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.533 0.769 13.610 1.00 0.00 H new ATOM 707 N VAL A 26 -7.617 2.812 9.242 1.00 0.00 N ATOM 708 CA VAL A 26 -6.290 2.431 8.780 1.00 0.00 C ATOM 709 C VAL A 26 -5.285 3.498 9.170 1.00 0.00 C ATOM 710 O VAL A 26 -4.323 3.225 9.887 1.00 0.00 O ATOM 711 CB VAL A 26 -6.274 2.221 7.259 1.00 0.00 C ATOM 712 CG1 VAL A 26 -5.063 1.399 6.839 1.00 0.00 C ATOM 713 CG2 VAL A 26 -7.566 1.550 6.823 1.00 0.00 C ATOM 0 H VAL A 26 -8.231 3.167 8.508 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.018 1.488 9.254 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.199 3.191 6.768 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.073 1.263 5.758 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.151 1.919 7.131 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.097 0.425 7.327 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.553 1.402 5.743 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.661 0.585 7.321 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.413 2.181 7.092 1.00 0.00 H new ATOM 723 N LYS A 27 -5.541 4.732 8.740 1.00 0.00 N ATOM 724 CA LYS A 27 -4.677 5.843 9.108 1.00 0.00 C ATOM 725 C LYS A 27 -4.619 5.923 10.627 1.00 0.00 C ATOM 726 O LYS A 27 -3.659 6.426 11.208 1.00 0.00 O ATOM 727 CB LYS A 27 -5.203 7.157 8.525 1.00 0.00 C ATOM 728 CG LYS A 27 -5.159 7.211 7.005 1.00 0.00 C ATOM 729 CD LYS A 27 -3.834 6.697 6.467 1.00 0.00 C ATOM 730 CE LYS A 27 -3.766 6.811 4.954 1.00 0.00 C ATOM 731 NZ LYS A 27 -3.518 8.211 4.509 1.00 0.00 N1+ ATOM 0 H LYS A 27 -6.330 4.982 8.144 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.678 5.679 8.704 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.231 7.306 8.856 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.616 7.983 8.927 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.975 6.616 6.595 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.315 8.237 6.672 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.015 7.262 6.913 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.700 5.656 6.761 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.973 6.165 4.577 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.700 6.453 4.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.121 8.427 3.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.741 8.867 5.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.519 8.318 4.241 1.00 0.00 H new ATOM 745 N ALA A 28 -5.663 5.386 11.254 1.00 0.00 N ATOM 746 CA ALA A 28 -5.770 5.338 12.698 1.00 0.00 C ATOM 747 C ALA A 28 -4.661 4.468 13.271 1.00 0.00 C ATOM 748 O ALA A 28 -3.812 4.938 14.030 1.00 0.00 O ATOM 749 CB ALA A 28 -7.135 4.783 13.076 1.00 0.00 C ATOM 0 H ALA A 28 -6.458 4.972 10.767 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.665 6.341 13.111 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.224 4.744 14.162 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -7.915 5.428 12.671 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.246 3.779 12.666 1.00 0.00 H new ATOM 755 N LYS A 29 -4.668 3.194 12.885 1.00 0.00 N ATOM 756 CA LYS A 29 -3.652 2.255 13.343 1.00 0.00 C ATOM 757 C LYS A 29 -2.269 2.731 12.915 1.00 0.00 C ATOM 758 O LYS A 29 -1.319 2.702 13.697 1.00 0.00 O ATOM 759 CB LYS A 29 -3.924 0.859 12.782 1.00 0.00 C ATOM 760 CG LYS A 29 -5.254 0.273 13.225 1.00 0.00 C ATOM 761 CD LYS A 29 -5.358 -1.202 12.874 1.00 0.00 C ATOM 762 CE LYS A 29 -6.734 -1.551 12.329 1.00 0.00 C ATOM 763 NZ LYS A 29 -7.740 -1.702 13.417 1.00 0.00 N1+ ATOM 0 H LYS A 29 -5.364 2.791 12.258 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.689 2.206 14.431 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.901 0.903 11.693 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.121 0.190 13.091 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.368 0.401 14.301 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.069 0.819 12.751 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.598 -1.455 12.135 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.154 -1.803 13.760 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.059 -0.772 11.639 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.674 -2.478 11.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.133 -2.665 13.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.284 -1.534 14.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.506 -1.012 13.280 1.00 0.00 H new ATOM 777 N ILE A 30 -2.169 3.184 11.667 1.00 0.00 N ATOM 778 CA ILE A 30 -0.908 3.683 11.136 1.00 0.00 C ATOM 779 C ILE A 30 -0.454 4.916 11.912 1.00 0.00 C ATOM 780 O ILE A 30 0.741 5.191 12.022 1.00 0.00 O ATOM 781 CB ILE A 30 -1.025 4.036 9.635 1.00 0.00 C ATOM 782 CG1 ILE A 30 -1.434 2.802 8.831 1.00 0.00 C ATOM 783 CG2 ILE A 30 0.289 4.598 9.112 1.00 0.00 C ATOM 784 CD1 ILE A 30 -1.673 3.088 7.364 1.00 0.00 C ATOM 0 H ILE A 30 -2.946 3.215 11.007 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.170 2.888 11.248 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.794 4.799 9.519 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.656 2.044 8.923 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.342 2.381 9.263 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.186 4.840 8.054 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.546 5.500 9.667 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.078 3.857 9.239 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.960 2.167 6.856 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.472 3.823 7.262 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.760 3.480 6.916 1.00 0.00 H new ATOM 796 N GLN A 31 -1.421 5.651 12.455 1.00 0.00 N ATOM 797 CA GLN A 31 -1.130 6.851 13.228 1.00 0.00 C ATOM 798 C GLN A 31 -0.549 6.482 14.589 1.00 0.00 C ATOM 799 O GLN A 31 0.369 7.135 15.080 1.00 0.00 O ATOM 800 CB GLN A 31 -2.401 7.688 13.406 1.00 0.00 C ATOM 801 CG GLN A 31 -2.213 8.908 14.296 1.00 0.00 C ATOM 802 CD GLN A 31 -3.529 9.535 14.711 1.00 0.00 C ATOM 803 OE1 GLN A 31 -4.601 8.987 14.452 1.00 0.00 O ATOM 804 NE2 GLN A 31 -3.455 10.693 15.359 1.00 0.00 N ATOM 0 H GLN A 31 -2.414 5.434 12.373 1.00 0.00 H new ATOM 0 HA GLN A 31 -0.393 7.442 12.684 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -2.750 8.015 12.426 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -3.183 7.058 13.829 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -1.655 8.621 15.187 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -1.612 9.649 13.769 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -2.545 11.112 15.553 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -4.308 11.163 15.663 1.00 0.00 H new ATOM 813 N ASP A 32 -1.092 5.429 15.191 1.00 0.00 N ATOM 814 CA ASP A 32 -0.625 4.971 16.495 1.00 0.00 C ATOM 815 C ASP A 32 0.610 4.080 16.359 1.00 0.00 C ATOM 816 O ASP A 32 1.300 3.813 17.342 1.00 0.00 O ATOM 817 CB ASP A 32 -1.738 4.210 17.217 1.00 0.00 C ATOM 818 CG ASP A 32 -1.364 3.858 18.643 1.00 0.00 C ATOM 819 OD1 ASP A 32 -0.485 4.537 19.213 1.00 0.00 O ATOM 820 OD2 ASP A 32 -1.952 2.901 19.191 1.00 0.00 O1- ATOM 0 H ASP A 32 -1.855 4.877 14.798 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.350 5.849 17.080 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.645 4.814 17.220 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.966 3.297 16.668 1.00 0.00 H new ATOM 825 N LYS A 33 0.882 3.620 15.139 1.00 0.00 N ATOM 826 CA LYS A 33 2.031 2.757 14.889 1.00 0.00 C ATOM 827 C LYS A 33 3.227 3.557 14.375 1.00 0.00 C ATOM 828 O LYS A 33 4.377 3.166 14.576 1.00 0.00 O ATOM 829 CB LYS A 33 1.662 1.666 13.881 1.00 0.00 C ATOM 830 CG LYS A 33 1.288 0.342 14.527 1.00 0.00 C ATOM 831 CD LYS A 33 1.816 -0.837 13.731 1.00 0.00 C ATOM 832 CE LYS A 33 3.105 -1.379 14.326 1.00 0.00 C ATOM 833 NZ LYS A 33 4.306 -0.854 13.620 1.00 0.00 N1+ ATOM 0 H LYS A 33 0.323 3.831 14.312 1.00 0.00 H new ATOM 0 HA LYS A 33 2.314 2.295 15.835 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.827 2.013 13.273 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.503 1.507 13.206 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.687 0.305 15.541 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.203 0.270 14.609 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.065 -1.627 13.707 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.991 -0.532 12.699 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.158 -1.111 15.381 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.100 -2.468 14.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.164 -1.247 14.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.268 -1.131 12.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.325 0.183 13.692 1.00 0.00 H new ATOM 847 N GLU A 34 2.952 4.673 13.705 1.00 0.00 N ATOM 848 CA GLU A 34 4.014 5.514 13.160 1.00 0.00 C ATOM 849 C GLU A 34 3.978 6.915 13.763 1.00 0.00 C ATOM 850 O GLU A 34 5.021 7.505 14.044 1.00 0.00 O ATOM 851 CB GLU A 34 3.892 5.598 11.637 1.00 0.00 C ATOM 852 CG GLU A 34 4.715 4.551 10.903 1.00 0.00 C ATOM 853 CD GLU A 34 6.008 5.111 10.346 1.00 0.00 C ATOM 854 OE1 GLU A 34 6.043 6.317 10.020 1.00 0.00 O1- ATOM 855 OE2 GLU A 34 6.988 4.344 10.234 1.00 0.00 O ATOM 0 H GLU A 34 2.008 5.015 13.527 1.00 0.00 H new ATOM 0 HA GLU A 34 4.969 5.057 13.421 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.844 5.486 11.358 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.205 6.589 11.310 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.942 3.730 11.583 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.123 4.135 10.088 1.00 0.00 H new ATOM 862 N GLY A 35 2.775 7.445 13.956 1.00 0.00 N ATOM 863 CA GLY A 35 2.634 8.775 14.521 1.00 0.00 C ATOM 864 C GLY A 35 2.233 9.805 13.483 1.00 0.00 C ATOM 865 O GLY A 35 2.554 10.986 13.615 1.00 0.00 O ATOM 0 H GLY A 35 1.896 6.979 13.732 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.887 8.752 15.314 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.577 9.074 14.980 1.00 0.00 H new ATOM 869 N ILE A 36 1.532 9.357 12.447 1.00 0.00 N ATOM 870 CA ILE A 36 1.087 10.245 11.380 1.00 0.00 C ATOM 871 C ILE A 36 -0.430 10.430 11.413 1.00 0.00 C ATOM 872 O ILE A 36 -1.180 9.510 11.086 1.00 0.00 O ATOM 873 CB ILE A 36 1.497 9.706 9.997 1.00 0.00 C ATOM 874 CG1 ILE A 36 2.983 9.344 9.986 1.00 0.00 C ATOM 875 CG2 ILE A 36 1.188 10.729 8.914 1.00 0.00 C ATOM 876 CD1 ILE A 36 3.404 8.552 8.768 1.00 0.00 C ATOM 0 H ILE A 36 1.259 8.382 12.324 1.00 0.00 H new ATOM 0 HA ILE A 36 1.570 11.208 11.546 1.00 0.00 H new ATOM 0 HB ILE A 36 0.920 8.804 9.791 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.572 10.260 10.035 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.215 8.768 10.882 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.484 10.332 7.943 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.119 10.941 8.908 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.739 11.648 9.113 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.470 8.331 8.828 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.842 7.619 8.728 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.204 9.134 7.868 1.00 0.00 H new ATOM 888 N PRO A 37 -0.909 11.625 11.808 1.00 0.00 N ATOM 889 CA PRO A 37 -2.345 11.915 11.879 1.00 0.00 C ATOM 890 C PRO A 37 -3.071 11.579 10.577 1.00 0.00 C ATOM 891 O PRO A 37 -2.490 11.670 9.495 1.00 0.00 O ATOM 892 CB PRO A 37 -2.392 13.421 12.144 1.00 0.00 C ATOM 893 CG PRO A 37 -1.098 13.728 12.812 1.00 0.00 C ATOM 894 CD PRO A 37 -0.091 12.783 12.219 1.00 0.00 C ATOM 0 HA PRO A 37 -2.843 11.319 12.644 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.502 13.983 11.217 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.238 13.685 12.779 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.807 14.765 12.642 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.174 13.591 13.891 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.428 13.229 11.371 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.670 12.499 12.946 1.00 0.00 H new ATOM 902 N PRO A 38 -4.354 11.185 10.663 1.00 0.00 N ATOM 903 CA PRO A 38 -5.153 10.835 9.483 1.00 0.00 C ATOM 904 C PRO A 38 -5.238 11.980 8.477 1.00 0.00 C ATOM 905 O PRO A 38 -5.343 11.754 7.272 1.00 0.00 O ATOM 906 CB PRO A 38 -6.542 10.533 10.058 1.00 0.00 C ATOM 907 CG PRO A 38 -6.303 10.213 11.493 1.00 0.00 C ATOM 908 CD PRO A 38 -5.126 11.046 11.911 1.00 0.00 C ATOM 0 HA PRO A 38 -4.714 10.001 8.935 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.209 11.389 9.950 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.011 9.696 9.540 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.180 10.446 12.096 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.097 9.151 11.627 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.437 12.015 12.303 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.544 10.558 12.693 1.00 0.00 H new ATOM 916 N ASP A 39 -5.191 13.209 8.980 1.00 0.00 N ATOM 917 CA ASP A 39 -5.264 14.389 8.124 1.00 0.00 C ATOM 918 C ASP A 39 -3.870 14.915 7.790 1.00 0.00 C ATOM 919 O ASP A 39 -3.702 16.091 7.472 1.00 0.00 O ATOM 920 CB ASP A 39 -6.085 15.486 8.803 1.00 0.00 C ATOM 921 CG ASP A 39 -7.516 15.060 9.063 1.00 0.00 C ATOM 922 OD1 ASP A 39 -8.111 14.405 8.181 1.00 0.00 O ATOM 923 OD2 ASP A 39 -8.044 15.381 10.148 1.00 0.00 O1- ATOM 0 H ASP A 39 -5.103 13.415 9.975 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.752 14.099 7.194 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.613 15.758 9.747 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.083 16.378 8.177 1.00 0.00 H new ATOM 928 N GLN A 40 -2.873 14.036 7.863 1.00 0.00 N ATOM 929 CA GLN A 40 -1.497 14.418 7.567 1.00 0.00 C ATOM 930 C GLN A 40 -0.954 13.631 6.377 1.00 0.00 C ATOM 931 O GLN A 40 -0.128 14.132 5.614 1.00 0.00 O ATOM 932 CB GLN A 40 -0.609 14.188 8.792 1.00 0.00 C ATOM 933 CG GLN A 40 0.458 15.254 8.978 1.00 0.00 C ATOM 934 CD GLN A 40 -0.122 16.653 9.045 1.00 0.00 C ATOM 935 OE1 GLN A 40 0.261 17.535 8.277 1.00 0.00 O ATOM 936 NE2 GLN A 40 -1.052 16.863 9.970 1.00 0.00 N ATOM 0 H GLN A 40 -2.993 13.057 8.124 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.488 15.478 7.311 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.236 14.153 9.683 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.127 13.215 8.703 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.014 15.051 9.893 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.169 15.199 8.154 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -1.340 16.103 10.586 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.479 17.785 10.064 1.00 0.00 H new ATOM 945 N GLN A 41 -1.423 12.395 6.225 1.00 0.00 N ATOM 946 CA GLN A 41 -0.982 11.539 5.130 1.00 0.00 C ATOM 947 C GLN A 41 -2.162 11.102 4.267 1.00 0.00 C ATOM 948 O GLN A 41 -3.320 11.245 4.661 1.00 0.00 O ATOM 949 CB GLN A 41 -0.257 10.310 5.680 1.00 0.00 C ATOM 950 CG GLN A 41 -1.121 9.458 6.597 1.00 0.00 C ATOM 951 CD GLN A 41 -0.314 8.442 7.381 1.00 0.00 C ATOM 952 OE1 GLN A 41 0.787 8.064 6.981 1.00 0.00 O ATOM 953 NE2 GLN A 41 -0.859 7.995 8.505 1.00 0.00 N ATOM 0 H GLN A 41 -2.108 11.965 6.847 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.295 12.113 4.508 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.088 9.698 4.847 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.629 10.634 6.226 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.656 10.106 7.292 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.873 8.939 6.003 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.774 8.336 8.799 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.363 7.310 9.075 1.00 0.00 H new ATOM 962 N ARG A 42 -1.858 10.563 3.091 1.00 0.00 N ATOM 963 CA ARG A 42 -2.890 10.098 2.172 1.00 0.00 C ATOM 964 C ARG A 42 -2.614 8.663 1.733 1.00 0.00 C ATOM 965 O ARG A 42 -1.502 8.159 1.896 1.00 0.00 O ATOM 966 CB ARG A 42 -2.964 11.015 0.948 1.00 0.00 C ATOM 967 CG ARG A 42 -4.059 12.066 1.042 1.00 0.00 C ATOM 968 CD ARG A 42 -3.738 13.280 0.185 1.00 0.00 C ATOM 969 NE ARG A 42 -4.940 13.874 -0.394 1.00 0.00 N ATOM 970 CZ ARG A 42 -4.983 15.095 -0.924 1.00 0.00 C ATOM 971 NH1 ARG A 42 -3.894 15.852 -0.951 1.00 0.00 N1+ ATOM 972 NH2 ARG A 42 -6.118 15.558 -1.431 1.00 0.00 N ATOM 0 H ARG A 42 -0.904 10.437 2.752 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.847 10.124 2.692 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.003 11.513 0.819 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.130 10.407 0.058 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.008 11.634 0.723 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.182 12.374 2.080 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.221 14.025 0.790 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -3.056 12.990 -0.614 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.797 13.321 -0.392 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.018 15.500 -0.565 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -3.932 16.786 -1.358 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -6.958 14.979 -1.415 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.151 16.493 -1.837 1.00 0.00 H new ATOM 986 N LEU A 43 -3.629 8.008 1.180 1.00 0.00 N ATOM 987 CA LEU A 43 -3.488 6.630 0.723 1.00 0.00 C ATOM 988 C LEU A 43 -4.062 6.456 -0.680 1.00 0.00 C ATOM 989 O LEU A 43 -5.061 7.082 -1.035 1.00 0.00 O ATOM 990 CB LEU A 43 -4.184 5.674 1.696 1.00 0.00 C ATOM 991 CG LEU A 43 -3.421 4.392 2.009 1.00 0.00 C ATOM 992 CD1 LEU A 43 -2.030 4.728 2.496 1.00 0.00 C ATOM 993 CD2 LEU A 43 -4.170 3.560 3.039 1.00 0.00 C ATOM 0 H LEU A 43 -4.556 8.408 1.037 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.425 6.393 0.690 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.369 6.204 2.630 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.157 5.407 1.283 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.338 3.799 1.098 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.490 3.808 2.718 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.498 5.283 1.723 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.097 5.336 3.398 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.609 2.649 3.249 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.285 4.135 3.958 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.154 3.298 2.650 1.00 0.00 H new ATOM 1005 N ILE A 44 -3.423 5.601 -1.472 1.00 0.00 N ATOM 1006 CA ILE A 44 -3.868 5.341 -2.837 1.00 0.00 C ATOM 1007 C ILE A 44 -3.730 3.863 -3.185 1.00 0.00 C ATOM 1008 O ILE A 44 -2.811 3.188 -2.718 1.00 0.00 O ATOM 1009 CB ILE A 44 -3.069 6.174 -3.858 1.00 0.00 C ATOM 1010 CG1 ILE A 44 -3.022 7.641 -3.428 1.00 0.00 C ATOM 1011 CG2 ILE A 44 -3.682 6.040 -5.244 1.00 0.00 C ATOM 1012 CD1 ILE A 44 -1.736 8.024 -2.728 1.00 0.00 C ATOM 0 H ILE A 44 -2.595 5.076 -1.192 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.918 5.629 -2.888 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.048 5.795 -3.896 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.150 8.273 -4.307 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.862 7.844 -2.764 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.107 6.634 -5.955 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.667 4.994 -5.549 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.712 6.397 -5.222 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.772 9.078 -2.451 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.616 7.417 -1.831 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.893 7.853 -3.397 1.00 0.00 H new ATOM 1024 N PHE A 45 -4.648 3.364 -4.006 1.00 0.00 N ATOM 1025 CA PHE A 45 -4.627 1.964 -4.415 1.00 0.00 C ATOM 1026 C PHE A 45 -5.443 1.751 -5.685 1.00 0.00 C ATOM 1027 O PHE A 45 -6.569 2.236 -5.800 1.00 0.00 O ATOM 1028 CB PHE A 45 -5.168 1.076 -3.293 1.00 0.00 C ATOM 1029 CG PHE A 45 -4.747 -0.362 -3.411 1.00 0.00 C ATOM 1030 CD1 PHE A 45 -3.419 -0.694 -3.625 1.00 0.00 C ATOM 1031 CD2 PHE A 45 -5.680 -1.381 -3.306 1.00 0.00 C ATOM 1032 CE1 PHE A 45 -3.029 -2.015 -3.734 1.00 0.00 C ATOM 1033 CE2 PHE A 45 -5.297 -2.704 -3.414 1.00 0.00 C ATOM 1034 CZ PHE A 45 -3.970 -3.022 -3.627 1.00 0.00 C ATOM 0 H PHE A 45 -5.415 3.908 -4.401 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.593 1.690 -4.622 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -4.829 1.468 -2.334 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.257 1.129 -3.292 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.680 0.089 -3.708 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.719 -1.138 -3.138 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.991 -2.260 -3.902 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -6.034 -3.489 -3.332 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.668 -4.056 -3.710 1.00 0.00 H new ATOM 1044 N ALA A 46 -4.869 1.021 -6.636 1.00 0.00 N ATOM 1045 CA ALA A 46 -5.544 0.741 -7.899 1.00 0.00 C ATOM 1046 C ALA A 46 -5.960 2.029 -8.601 1.00 0.00 C ATOM 1047 O ALA A 46 -6.987 2.075 -9.277 1.00 0.00 O ATOM 1048 CB ALA A 46 -6.755 -0.149 -7.664 1.00 0.00 C ATOM 0 H ALA A 46 -3.938 0.612 -6.556 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.841 0.218 -8.548 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.249 -0.350 -8.615 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.434 -1.089 -7.216 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.451 0.354 -6.993 1.00 0.00 H new ATOM 1054 N GLY A 47 -5.157 3.075 -8.432 1.00 0.00 N ATOM 1055 CA GLY A 47 -5.461 4.350 -9.053 1.00 0.00 C ATOM 1056 C GLY A 47 -6.651 5.040 -8.416 1.00 0.00 C ATOM 1057 O GLY A 47 -7.284 5.895 -9.035 1.00 0.00 O ATOM 0 H GLY A 47 -4.302 3.062 -7.876 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.589 5.000 -8.984 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.660 4.195 -10.113 1.00 0.00 H new ATOM 1061 N LYS A 48 -6.957 4.670 -7.176 1.00 0.00 N ATOM 1062 CA LYS A 48 -8.078 5.262 -6.456 1.00 0.00 C ATOM 1063 C LYS A 48 -7.593 6.024 -5.228 1.00 0.00 C ATOM 1064 O LYS A 48 -6.658 5.597 -4.549 1.00 0.00 O ATOM 1065 CB LYS A 48 -9.074 4.179 -6.038 1.00 0.00 C ATOM 1066 CG LYS A 48 -10.020 3.760 -7.153 1.00 0.00 C ATOM 1067 CD LYS A 48 -9.600 2.435 -7.772 1.00 0.00 C ATOM 1068 CE LYS A 48 -10.801 1.547 -8.056 1.00 0.00 C ATOM 1069 NZ LYS A 48 -10.500 0.110 -7.815 1.00 0.00 N1+ ATOM 0 H LYS A 48 -6.444 3.963 -6.649 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.576 5.964 -7.125 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.523 3.304 -5.692 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.659 4.542 -5.193 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.033 3.674 -6.759 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.042 4.532 -7.922 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.057 2.621 -8.698 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.915 1.919 -7.099 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.636 1.853 -7.426 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.116 1.683 -9.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.345 -0.461 -8.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.720 -0.190 -8.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.224 -0.025 -6.821 1.00 0.00 H new ATOM 1083 N GLN A 49 -8.233 7.155 -4.947 1.00 0.00 N ATOM 1084 CA GLN A 49 -7.866 7.977 -3.802 1.00 0.00 C ATOM 1085 C GLN A 49 -8.557 7.488 -2.534 1.00 0.00 C ATOM 1086 O GLN A 49 -9.737 7.762 -2.312 1.00 0.00 O ATOM 1087 CB GLN A 49 -8.230 9.441 -4.061 1.00 0.00 C ATOM 1088 CG GLN A 49 -7.138 10.222 -4.775 1.00 0.00 C ATOM 1089 CD GLN A 49 -6.177 10.892 -3.813 1.00 0.00 C ATOM 1090 OE1 GLN A 49 -5.021 10.486 -3.689 1.00 0.00 O ATOM 1091 NE2 GLN A 49 -6.651 11.924 -3.125 1.00 0.00 N ATOM 0 H GLN A 49 -9.009 7.522 -5.498 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.788 7.895 -3.661 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -9.142 9.480 -4.657 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.449 9.926 -3.110 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.582 9.549 -5.428 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -7.595 10.979 -5.412 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -7.616 12.227 -3.259 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.050 12.414 -2.462 1.00 0.00 H new ATOM 1100 N LEU A 50 -7.815 6.762 -1.704 1.00 0.00 N ATOM 1101 CA LEU A 50 -8.353 6.236 -0.456 1.00 0.00 C ATOM 1102 C LEU A 50 -8.662 7.367 0.521 1.00 0.00 C ATOM 1103 O LEU A 50 -7.889 7.634 1.441 1.00 0.00 O ATOM 1104 CB LEU A 50 -7.362 5.253 0.174 1.00 0.00 C ATOM 1105 CG LEU A 50 -7.667 3.775 -0.072 1.00 0.00 C ATOM 1106 CD1 LEU A 50 -7.610 3.454 -1.558 1.00 0.00 C ATOM 1107 CD2 LEU A 50 -6.704 2.895 0.704 1.00 0.00 C ATOM 0 H LEU A 50 -6.838 6.525 -1.874 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.282 5.711 -0.679 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.365 5.471 -0.209 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.335 5.428 1.250 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.678 3.571 0.281 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.830 2.397 -1.711 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.345 4.058 -2.089 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.614 3.676 -1.940 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.937 1.847 0.516 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.683 3.103 0.384 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.800 3.103 1.770 1.00 0.00 H new ATOM 1119 N GLU A 51 -9.794 8.031 0.311 1.00 0.00 N ATOM 1120 CA GLU A 51 -10.203 9.136 1.171 1.00 0.00 C ATOM 1121 C GLU A 51 -10.784 8.624 2.485 1.00 0.00 C ATOM 1122 O GLU A 51 -11.203 7.471 2.583 1.00 0.00 O ATOM 1123 CB GLU A 51 -11.234 10.011 0.454 1.00 0.00 C ATOM 1124 CG GLU A 51 -10.831 10.392 -0.961 1.00 0.00 C ATOM 1125 CD GLU A 51 -11.980 10.280 -1.944 1.00 0.00 C ATOM 1126 OE1 GLU A 51 -13.143 10.448 -1.521 1.00 0.00 O1- ATOM 1127 OE2 GLU A 51 -11.718 10.023 -3.138 1.00 0.00 O ATOM 0 H GLU A 51 -10.444 7.823 -0.447 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.318 9.732 1.396 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -12.187 9.482 0.421 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -11.393 10.920 1.034 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.453 11.414 -0.964 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.014 9.749 -1.288 1.00 0.00 H new ATOM 1134 N ASP A 52 -10.805 9.490 3.493 1.00 0.00 N ATOM 1135 CA ASP A 52 -11.336 9.128 4.801 1.00 0.00 C ATOM 1136 C ASP A 52 -12.808 8.741 4.703 1.00 0.00 C ATOM 1137 O ASP A 52 -13.654 9.563 4.349 1.00 0.00 O ATOM 1138 CB ASP A 52 -11.167 10.290 5.783 1.00 0.00 C ATOM 1139 CG ASP A 52 -9.711 10.642 6.016 1.00 0.00 C ATOM 1140 OD1 ASP A 52 -9.006 10.935 5.027 1.00 0.00 O ATOM 1141 OD2 ASP A 52 -9.276 10.626 7.186 1.00 0.00 O1- ATOM 0 H ASP A 52 -10.460 10.448 3.428 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.776 8.267 5.167 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.693 11.165 5.401 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -11.632 10.029 6.734 1.00 0.00 H new ATOM 1146 N GLY A 53 -13.106 7.485 5.017 1.00 0.00 N ATOM 1147 CA GLY A 53 -14.476 7.010 4.957 1.00 0.00 C ATOM 1148 C GLY A 53 -14.700 6.013 3.834 1.00 0.00 C ATOM 1149 O GLY A 53 -15.839 5.747 3.452 1.00 0.00 O ATOM 0 H GLY A 53 -12.423 6.787 5.312 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.737 6.545 5.908 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -15.146 7.860 4.823 1.00 0.00 H new ATOM 1153 N ARG A 54 -13.612 5.459 3.306 1.00 0.00 N ATOM 1154 CA ARG A 54 -13.699 4.486 2.223 1.00 0.00 C ATOM 1155 C ARG A 54 -13.297 3.098 2.709 1.00 0.00 C ATOM 1156 O ARG A 54 -12.271 2.932 3.368 1.00 0.00 O ATOM 1157 CB ARG A 54 -12.805 4.909 1.055 1.00 0.00 C ATOM 1158 CG ARG A 54 -13.117 6.299 0.525 1.00 0.00 C ATOM 1159 CD ARG A 54 -14.536 6.382 -0.016 1.00 0.00 C ATOM 1160 NE ARG A 54 -14.633 7.287 -1.160 1.00 0.00 N ATOM 1161 CZ ARG A 54 -15.781 7.627 -1.741 1.00 0.00 C ATOM 1162 NH1 ARG A 54 -16.931 7.141 -1.288 1.00 0.00 N1+ ATOM 1163 NH2 ARG A 54 -15.781 8.455 -2.777 1.00 0.00 N ATOM 0 H ARG A 54 -12.661 5.667 3.611 1.00 0.00 H new ATOM 0 HA ARG A 54 -14.734 4.448 1.883 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -11.763 4.876 1.375 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -12.913 4.187 0.245 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -12.987 7.031 1.322 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -12.410 6.556 -0.264 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -14.870 5.387 -0.311 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -15.206 6.722 0.774 1.00 0.00 H new ATOM 0 HE ARG A 54 -13.770 7.681 -1.535 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -16.937 6.504 -0.491 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -17.808 7.405 -1.737 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -14.901 8.832 -3.129 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -16.661 8.715 -3.222 1.00 0.00 H new ATOM 1177 N THR A 55 -14.113 2.103 2.380 1.00 0.00 N ATOM 1178 CA THR A 55 -13.844 0.728 2.784 1.00 0.00 C ATOM 1179 C THR A 55 -12.696 0.134 1.974 1.00 0.00 C ATOM 1180 O THR A 55 -12.263 0.711 0.977 1.00 0.00 O ATOM 1181 CB THR A 55 -15.099 -0.130 2.617 1.00 0.00 C ATOM 1182 OG1 THR A 55 -15.873 0.322 1.521 1.00 0.00 O ATOM 1183 CG2 THR A 55 -15.990 -0.129 3.841 1.00 0.00 C ATOM 0 H THR A 55 -14.966 2.223 1.834 1.00 0.00 H new ATOM 0 HA THR A 55 -13.555 0.737 3.835 1.00 0.00 H new ATOM 0 HB THR A 55 -14.737 -1.145 2.452 1.00 0.00 H new ATOM 0 HG1 THR A 55 -16.670 -0.240 1.430 1.00 0.00 H new ATOM 0 HG21 THR A 55 -16.862 -0.756 3.657 1.00 0.00 H new ATOM 0 HG22 THR A 55 -15.436 -0.520 4.695 1.00 0.00 H new ATOM 0 HG23 THR A 55 -16.314 0.890 4.054 1.00 0.00 H new ATOM 1191 N LEU A 56 -12.208 -1.022 2.410 1.00 0.00 N ATOM 1192 CA LEU A 56 -11.110 -1.697 1.729 1.00 0.00 C ATOM 1193 C LEU A 56 -11.624 -2.580 0.597 1.00 0.00 C ATOM 1194 O LEU A 56 -11.036 -2.626 -0.484 1.00 0.00 O ATOM 1195 CB LEU A 56 -10.307 -2.531 2.719 1.00 0.00 C ATOM 1196 CG LEU A 56 -9.883 -1.809 3.998 1.00 0.00 C ATOM 1197 CD1 LEU A 56 -8.521 -2.282 4.432 1.00 0.00 C ATOM 1198 CD2 LEU A 56 -9.822 -0.314 3.794 1.00 0.00 C ATOM 0 H LEU A 56 -12.557 -1.512 3.234 1.00 0.00 H new ATOM 0 HA LEU A 56 -10.462 -0.934 1.298 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -10.898 -3.404 2.995 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.412 -2.898 2.216 1.00 0.00 H new ATOM 0 HG LEU A 56 -10.628 -2.036 4.761 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.229 -1.761 5.344 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.552 -3.355 4.621 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.796 -2.072 3.646 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.517 0.168 4.723 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.099 -0.083 3.011 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -10.805 0.054 3.500 1.00 0.00 H new ATOM 1210 N SER A 57 -12.722 -3.282 0.854 1.00 0.00 N ATOM 1211 CA SER A 57 -13.316 -4.167 -0.143 1.00 0.00 C ATOM 1212 C SER A 57 -13.655 -3.401 -1.419 1.00 0.00 C ATOM 1213 O SER A 57 -13.650 -3.966 -2.513 1.00 0.00 O ATOM 1214 CB SER A 57 -14.576 -4.829 0.419 1.00 0.00 C ATOM 1215 OG SER A 57 -15.113 -5.764 -0.501 1.00 0.00 O ATOM 0 H SER A 57 -13.219 -3.256 1.744 1.00 0.00 H new ATOM 0 HA SER A 57 -12.586 -4.939 -0.388 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.339 -5.331 1.357 1.00 0.00 H new ATOM 0 HB3 SER A 57 -15.322 -4.067 0.645 1.00 0.00 H new ATOM 0 HG SER A 57 -15.916 -6.175 -0.119 1.00 0.00 H new ATOM 1221 N ASP A 58 -13.949 -2.113 -1.271 1.00 0.00 N ATOM 1222 CA ASP A 58 -14.291 -1.272 -2.411 1.00 0.00 C ATOM 1223 C ASP A 58 -13.084 -1.077 -3.324 1.00 0.00 C ATOM 1224 O ASP A 58 -13.230 -0.923 -4.537 1.00 0.00 O ATOM 1225 CB ASP A 58 -14.807 0.087 -1.933 1.00 0.00 C ATOM 1226 CG ASP A 58 -15.835 0.679 -2.876 1.00 0.00 C ATOM 1227 OD1 ASP A 58 -16.774 -0.049 -3.265 1.00 0.00 O1- ATOM 1228 OD2 ASP A 58 -15.702 1.870 -3.228 1.00 0.00 O ATOM 0 H ASP A 58 -13.957 -1.630 -0.373 1.00 0.00 H new ATOM 0 HA ASP A 58 -15.076 -1.773 -2.977 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -15.248 -0.023 -0.942 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.969 0.777 -1.834 1.00 0.00 H new ATOM 1233 N TYR A 59 -11.893 -1.083 -2.733 1.00 0.00 N ATOM 1234 CA TYR A 59 -10.661 -0.907 -3.496 1.00 0.00 C ATOM 1235 C TYR A 59 -9.999 -2.250 -3.803 1.00 0.00 C ATOM 1236 O TYR A 59 -8.865 -2.295 -4.277 1.00 0.00 O ATOM 1237 CB TYR A 59 -9.689 -0.011 -2.727 1.00 0.00 C ATOM 1238 CG TYR A 59 -10.199 1.397 -2.514 1.00 0.00 C ATOM 1239 CD1 TYR A 59 -10.587 2.185 -3.591 1.00 0.00 C ATOM 1240 CD2 TYR A 59 -10.294 1.937 -1.239 1.00 0.00 C ATOM 1241 CE1 TYR A 59 -11.055 3.471 -3.401 1.00 0.00 C ATOM 1242 CE2 TYR A 59 -10.760 3.222 -1.041 1.00 0.00 C ATOM 1243 CZ TYR A 59 -11.139 3.985 -2.125 1.00 0.00 C ATOM 1244 OH TYR A 59 -11.604 5.266 -1.932 1.00 0.00 O ATOM 0 H TYR A 59 -11.755 -1.208 -1.730 1.00 0.00 H new ATOM 0 HA TYR A 59 -10.919 -0.432 -4.443 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -9.481 -0.463 -1.757 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.743 0.032 -3.268 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.522 1.786 -4.592 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.999 1.342 -0.387 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -11.354 4.071 -4.248 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -10.827 3.627 -0.042 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.888 5.907 -2.127 1.00 0.00 H new ATOM 1254 N ASN A 60 -10.712 -3.341 -3.535 1.00 0.00 N ATOM 1255 CA ASN A 60 -10.188 -4.679 -3.788 1.00 0.00 C ATOM 1256 C ASN A 60 -8.865 -4.900 -3.058 1.00 0.00 C ATOM 1257 O ASN A 60 -7.927 -5.473 -3.612 1.00 0.00 O ATOM 1258 CB ASN A 60 -9.997 -4.897 -5.290 1.00 0.00 C ATOM 1259 CG ASN A 60 -10.338 -6.310 -5.718 1.00 0.00 C ATOM 1260 OD1 ASN A 60 -10.179 -7.259 -4.950 1.00 0.00 O ATOM 1261 ND2 ASN A 60 -10.809 -6.457 -6.952 1.00 0.00 N ATOM 0 H ASN A 60 -11.653 -3.324 -3.143 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.912 -5.400 -3.409 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.623 -4.193 -5.839 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.963 -4.679 -5.557 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.055 -7.385 -7.297 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -10.925 -5.642 -7.554 1.00 0.00 H new ATOM 1268 N ILE A 61 -8.799 -4.444 -1.810 1.00 0.00 N ATOM 1269 CA ILE A 61 -7.592 -4.596 -1.008 1.00 0.00 C ATOM 1270 C ILE A 61 -7.530 -5.978 -0.367 1.00 0.00 C ATOM 1271 O ILE A 61 -8.481 -6.417 0.279 1.00 0.00 O ATOM 1272 CB ILE A 61 -7.511 -3.525 0.099 1.00 0.00 C ATOM 1273 CG1 ILE A 61 -7.732 -2.131 -0.492 1.00 0.00 C ATOM 1274 CG2 ILE A 61 -6.168 -3.599 0.811 1.00 0.00 C ATOM 1275 CD1 ILE A 61 -7.630 -1.017 0.528 1.00 0.00 C ATOM 0 H ILE A 61 -9.566 -3.968 -1.335 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.746 -4.472 -1.684 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.297 -3.718 0.829 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.999 -1.959 -1.280 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.716 -2.095 -0.959 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.126 -2.837 1.589 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.049 -4.584 1.261 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.366 -3.429 0.093 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.798 -0.058 0.038 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.381 -1.164 1.304 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.637 -1.026 0.978 1.00 0.00 H new ATOM 1287 N GLN A 62 -6.404 -6.661 -0.549 1.00 0.00 N ATOM 1288 CA GLN A 62 -6.217 -7.995 0.012 1.00 0.00 C ATOM 1289 C GLN A 62 -5.154 -7.978 1.105 1.00 0.00 C ATOM 1290 O GLN A 62 -4.726 -6.915 1.552 1.00 0.00 O ATOM 1291 CB GLN A 62 -5.821 -8.982 -1.088 1.00 0.00 C ATOM 1292 CG GLN A 62 -6.662 -8.858 -2.348 1.00 0.00 C ATOM 1293 CD GLN A 62 -6.519 -10.058 -3.264 1.00 0.00 C ATOM 1294 OE1 GLN A 62 -5.454 -10.296 -3.832 1.00 0.00 O ATOM 1295 NE2 GLN A 62 -7.596 -10.820 -3.413 1.00 0.00 N ATOM 0 H GLN A 62 -5.607 -6.312 -1.081 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.161 -8.315 0.453 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -4.773 -8.827 -1.344 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.908 -9.998 -0.702 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -7.710 -8.740 -2.071 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -6.371 -7.957 -2.888 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -8.459 -10.585 -2.922 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.561 -11.640 -4.018 1.00 0.00 H new ATOM 1304 N LYS A 63 -4.730 -9.165 1.531 1.00 0.00 N ATOM 1305 CA LYS A 63 -3.716 -9.282 2.572 1.00 0.00 C ATOM 1306 C LYS A 63 -2.323 -9.018 2.008 1.00 0.00 C ATOM 1307 O LYS A 63 -2.010 -9.420 0.887 1.00 0.00 O ATOM 1308 CB LYS A 63 -3.769 -10.671 3.214 1.00 0.00 C ATOM 1309 CG LYS A 63 -3.335 -11.793 2.283 1.00 0.00 C ATOM 1310 CD LYS A 63 -4.204 -13.027 2.451 1.00 0.00 C ATOM 1311 CE LYS A 63 -4.139 -13.567 3.870 1.00 0.00 C ATOM 1312 NZ LYS A 63 -4.175 -15.055 3.901 1.00 0.00 N1+ ATOM 0 H LYS A 63 -5.072 -10.056 1.172 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.926 -8.532 3.334 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.131 -10.677 4.098 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.786 -10.866 3.554 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.386 -11.449 1.250 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.295 -12.050 2.482 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.236 -12.783 2.201 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.881 -13.798 1.752 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.226 -13.216 4.350 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.975 -13.172 4.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.129 -15.383 4.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.058 -15.390 3.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.363 -15.433 3.372 1.00 0.00 H new ATOM 1326 N GLU A 64 -1.494 -8.337 2.791 1.00 0.00 N ATOM 1327 CA GLU A 64 -0.135 -8.014 2.371 1.00 0.00 C ATOM 1328 C GLU A 64 -0.143 -7.191 1.086 1.00 0.00 C ATOM 1329 O GLU A 64 0.803 -7.239 0.301 1.00 0.00 O ATOM 1330 CB GLU A 64 0.678 -9.294 2.166 1.00 0.00 C ATOM 1331 CG GLU A 64 1.076 -9.977 3.465 1.00 0.00 C ATOM 1332 CD GLU A 64 1.956 -11.190 3.240 1.00 0.00 C ATOM 1333 OE1 GLU A 64 3.123 -11.009 2.835 1.00 0.00 O1- ATOM 1334 OE2 GLU A 64 1.479 -12.320 3.470 1.00 0.00 O ATOM 0 H GLU A 64 -1.739 -7.997 3.721 1.00 0.00 H new ATOM 0 HA GLU A 64 0.329 -7.420 3.159 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.097 -9.991 1.562 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.578 -9.056 1.600 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.602 -9.264 4.100 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.177 -10.279 4.002 1.00 0.00 H new ATOM 1341 N SER A 65 -1.218 -6.437 0.879 1.00 0.00 N ATOM 1342 CA SER A 65 -1.349 -5.604 -0.310 1.00 0.00 C ATOM 1343 C SER A 65 -0.561 -4.308 -0.149 1.00 0.00 C ATOM 1344 O SER A 65 -0.585 -3.683 0.911 1.00 0.00 O ATOM 1345 CB SER A 65 -2.822 -5.290 -0.579 1.00 0.00 C ATOM 1346 OG SER A 65 -3.578 -6.478 -0.731 1.00 0.00 O ATOM 0 H SER A 65 -2.010 -6.386 1.519 1.00 0.00 H new ATOM 0 HA SER A 65 -0.943 -6.154 -1.159 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.227 -4.700 0.243 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.909 -4.683 -1.480 1.00 0.00 H new ATOM 0 HG SER A 65 -3.721 -6.655 -1.684 1.00 0.00 H new ATOM 1352 N THR A 66 0.137 -3.910 -1.208 1.00 0.00 N ATOM 1353 CA THR A 66 0.933 -2.689 -1.181 1.00 0.00 C ATOM 1354 C THR A 66 0.047 -1.457 -1.346 1.00 0.00 C ATOM 1355 O THR A 66 -0.430 -1.166 -2.443 1.00 0.00 O ATOM 1356 CB THR A 66 1.998 -2.721 -2.280 1.00 0.00 C ATOM 1357 OG1 THR A 66 2.073 -4.007 -2.872 1.00 0.00 O ATOM 1358 CG2 THR A 66 3.381 -2.366 -1.779 1.00 0.00 C ATOM 0 H THR A 66 0.167 -4.415 -2.094 1.00 0.00 H new ATOM 0 HA THR A 66 1.427 -2.630 -0.211 1.00 0.00 H new ATOM 0 HB THR A 66 1.686 -1.971 -3.007 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.758 -4.005 -3.573 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.089 -2.407 -2.606 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.369 -1.359 -1.361 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.682 -3.075 -1.008 1.00 0.00 H new ATOM 1366 N LEU A 67 -0.166 -0.735 -0.250 1.00 0.00 N ATOM 1367 CA LEU A 67 -0.992 0.466 -0.276 1.00 0.00 C ATOM 1368 C LEU A 67 -0.124 1.716 -0.394 1.00 0.00 C ATOM 1369 O LEU A 67 0.727 1.974 0.456 1.00 0.00 O ATOM 1370 CB LEU A 67 -1.859 0.547 0.984 1.00 0.00 C ATOM 1371 CG LEU A 67 -3.205 -0.173 0.901 1.00 0.00 C ATOM 1372 CD1 LEU A 67 -4.060 0.148 2.117 1.00 0.00 C ATOM 1373 CD2 LEU A 67 -3.939 0.194 -0.380 1.00 0.00 C ATOM 0 H LEU A 67 0.222 -0.961 0.666 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.643 0.411 -1.149 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.295 0.132 1.820 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.041 1.597 1.212 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.014 -1.246 0.887 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.014 -0.374 2.039 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.543 -0.174 3.021 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.237 1.222 2.164 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.894 -0.331 -0.416 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.115 1.269 -0.403 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.335 -0.093 -1.241 1.00 0.00 H new ATOM 1385 N HIS A 68 -0.345 2.486 -1.455 1.00 0.00 N ATOM 1386 CA HIS A 68 0.418 3.707 -1.684 1.00 0.00 C ATOM 1387 C HIS A 68 0.081 4.763 -0.638 1.00 0.00 C ATOM 1388 O HIS A 68 -1.083 4.956 -0.291 1.00 0.00 O ATOM 1389 CB HIS A 68 0.141 4.252 -3.086 1.00 0.00 C ATOM 1390 CG HIS A 68 0.758 3.435 -4.178 1.00 0.00 C ATOM 1391 ND1 HIS A 68 1.501 2.298 -3.941 1.00 0.00 N ATOM 1392 CD2 HIS A 68 0.739 3.596 -5.523 1.00 0.00 C ATOM 1393 CE1 HIS A 68 1.912 1.795 -5.092 1.00 0.00 C ATOM 1394 NE2 HIS A 68 1.464 2.564 -6.066 1.00 0.00 N ATOM 0 H HIS A 68 -1.046 2.286 -2.169 1.00 0.00 H new ATOM 0 HA HIS A 68 1.477 3.465 -1.600 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -0.937 4.298 -3.243 1.00 0.00 H new ATOM 0 HB3 HIS A 68 0.517 5.273 -3.151 1.00 0.00 H new ATOM 0 HD2 HIS A 68 0.246 4.388 -6.067 1.00 0.00 H new ATOM 0 HE1 HIS A 68 2.512 0.906 -5.214 1.00 0.00 H new ATOM 0 HE2 HIS A 68 1.629 2.416 -7.062 1.00 0.00 H new ATOM 1403 N LEU A 69 1.107 5.444 -0.139 1.00 0.00 N ATOM 1404 CA LEU A 69 0.921 6.482 0.868 1.00 0.00 C ATOM 1405 C LEU A 69 1.561 7.792 0.426 1.00 0.00 C ATOM 1406 O LEU A 69 2.544 7.796 -0.317 1.00 0.00 O ATOM 1407 CB LEU A 69 1.518 6.038 2.205 1.00 0.00 C ATOM 1408 CG LEU A 69 0.895 6.688 3.439 1.00 0.00 C ATOM 1409 CD1 LEU A 69 0.845 5.703 4.597 1.00 0.00 C ATOM 1410 CD2 LEU A 69 1.683 7.921 3.823 1.00 0.00 C ATOM 0 H LEU A 69 2.077 5.295 -0.416 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.150 6.644 0.990 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.413 4.956 2.291 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.586 6.255 2.199 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.127 6.983 3.202 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.398 6.186 5.466 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.245 4.838 4.313 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.856 5.378 4.842 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.234 8.380 4.704 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.713 7.640 4.045 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.671 8.632 2.997 1.00 0.00 H new ATOM 1422 N VAL A 70 1.002 8.904 0.891 1.00 0.00 N ATOM 1423 CA VAL A 70 1.521 10.223 0.548 1.00 0.00 C ATOM 1424 C VAL A 70 1.584 11.121 1.778 1.00 0.00 C ATOM 1425 O VAL A 70 0.597 11.758 2.145 1.00 0.00 O ATOM 1426 CB VAL A 70 0.657 10.905 -0.530 1.00 0.00 C ATOM 1427 CG1 VAL A 70 1.322 12.182 -1.017 1.00 0.00 C ATOM 1428 CG2 VAL A 70 0.396 9.955 -1.688 1.00 0.00 C ATOM 0 H VAL A 70 0.189 8.918 1.507 1.00 0.00 H new ATOM 0 HA VAL A 70 2.527 10.077 0.154 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.303 11.169 -0.086 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.698 12.650 -1.778 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.449 12.868 -0.180 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.297 11.945 -1.443 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.216 10.456 -2.438 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.345 9.656 -2.134 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.128 9.072 -1.323 1.00 0.00 H new ATOM 1438 N LEU A 71 2.751 11.165 2.413 1.00 0.00 N ATOM 1439 CA LEU A 71 2.943 11.985 3.604 1.00 0.00 C ATOM 1440 C LEU A 71 3.119 13.453 3.232 1.00 0.00 C ATOM 1441 O LEU A 71 4.036 13.811 2.493 1.00 0.00 O ATOM 1442 CB LEU A 71 4.159 11.498 4.394 1.00 0.00 C ATOM 1443 CG LEU A 71 4.253 9.980 4.571 1.00 0.00 C ATOM 1444 CD1 LEU A 71 5.691 9.562 4.835 1.00 0.00 C ATOM 1445 CD2 LEU A 71 3.344 9.519 5.700 1.00 0.00 C ATOM 0 H LEU A 71 3.578 10.643 2.123 1.00 0.00 H new ATOM 0 HA LEU A 71 2.053 11.891 4.226 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.062 11.846 3.893 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.142 11.963 5.380 1.00 0.00 H new ATOM 0 HG LEU A 71 3.922 9.503 3.648 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.739 8.480 4.958 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.317 9.859 3.993 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.050 10.047 5.743 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.423 8.438 5.812 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.644 10.003 6.629 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.313 9.785 5.469 1.00 0.00 H new ATOM 1457 N ARG A 72 2.234 14.300 3.749 1.00 0.00 N ATOM 1458 CA ARG A 72 2.291 15.730 3.472 1.00 0.00 C ATOM 1459 C ARG A 72 3.472 16.377 4.190 1.00 0.00 C ATOM 1460 O ARG A 72 4.258 15.697 4.849 1.00 0.00 O ATOM 1461 CB ARG A 72 0.988 16.406 3.898 1.00 0.00 C ATOM 1462 CG ARG A 72 0.570 17.551 2.988 1.00 0.00 C ATOM 1463 CD ARG A 72 -0.943 17.655 2.882 1.00 0.00 C ATOM 1464 NE ARG A 72 -1.377 19.017 2.580 1.00 0.00 N ATOM 1465 CZ ARG A 72 -1.217 20.047 3.407 1.00 0.00 C ATOM 1466 NH1 ARG A 72 -0.631 19.877 4.586 1.00 0.00 N1+ ATOM 1467 NH2 ARG A 72 -1.641 21.253 3.054 1.00 0.00 N ATOM 0 H ARG A 72 1.469 14.020 4.362 1.00 0.00 H new ATOM 0 HA ARG A 72 2.426 15.861 2.398 1.00 0.00 H new ATOM 0 HB2 ARG A 72 0.192 15.661 3.920 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.100 16.783 4.915 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.974 18.488 3.371 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.996 17.403 1.996 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -1.299 16.980 2.104 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.396 17.329 3.819 1.00 0.00 H new ATOM 0 HE ARG A 72 -1.829 19.188 1.682 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -0.300 18.953 4.863 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -0.511 20.671 5.215 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.090 21.391 2.148 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -1.518 22.043 3.688 1.00 0.00 H new