USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 488 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 76 ASN : amide:sc= 1.02 K(o=2.2,f=-2.7) USER MOD Set 1.2: A 80 LYS NZ :NH3+ -154:sc= 1.19 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.174 X(o=-0.17,f=-0.03) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 52 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0929) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 160:sc= -0.734 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.872 K(o=-0.87,f=-2.6!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.159) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 229 N LEU A 19 -5.450 0.947 -10.039 1.00 0.00 N ATOM 230 CA LEU A 19 -4.362 0.494 -10.899 1.00 0.00 C ATOM 231 C LEU A 19 -3.706 -0.761 -10.332 1.00 0.00 C ATOM 232 O LEU A 19 -3.762 -1.013 -9.128 1.00 0.00 O ATOM 233 CB LEU A 19 -3.319 1.601 -11.060 1.00 0.00 C ATOM 234 CG LEU A 19 -3.391 2.409 -12.356 1.00 0.00 C ATOM 235 CD1 LEU A 19 -3.344 3.900 -12.058 1.00 0.00 C ATOM 236 CD2 LEU A 19 -2.261 2.014 -13.295 1.00 0.00 C ATOM 0 HA LEU A 19 -4.780 0.252 -11.876 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.417 2.289 -10.221 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.328 1.152 -10.990 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.338 2.187 -12.848 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.396 4.460 -12.992 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.189 4.171 -11.425 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.413 4.139 -11.543 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.328 2.599 -14.212 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.303 2.205 -12.812 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.341 0.954 -13.535 1.00 0.00 H new ATOM 248 N LEU A 20 -3.084 -1.543 -11.207 1.00 0.00 N ATOM 249 CA LEU A 20 -2.414 -2.771 -10.794 1.00 0.00 C ATOM 250 C LEU A 20 -0.914 -2.546 -10.633 1.00 0.00 C ATOM 251 O LEU A 20 -0.330 -1.690 -11.297 1.00 0.00 O ATOM 252 CB LEU A 20 -2.668 -3.882 -11.814 1.00 0.00 C ATOM 253 CG LEU A 20 -2.341 -5.303 -11.354 1.00 0.00 C ATOM 254 CD1 LEU A 20 -3.103 -5.642 -10.083 1.00 0.00 C ATOM 255 CD2 LEU A 20 -2.661 -6.306 -12.453 1.00 0.00 C ATOM 0 H LEU A 20 -3.030 -1.349 -12.207 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.823 -3.071 -9.829 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.718 -3.848 -12.104 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.083 -3.667 -12.708 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.274 -5.358 -11.138 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.857 -6.657 -9.771 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.825 -4.943 -9.294 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.174 -5.569 -10.271 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.422 -7.312 -12.108 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.721 -6.249 -12.700 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.069 -6.076 -13.339 1.00 0.00 H new ATOM 267 N TYR A 21 -0.296 -3.322 -9.749 1.00 0.00 N ATOM 268 CA TYR A 21 1.136 -3.207 -9.501 1.00 0.00 C ATOM 269 C TYR A 21 1.783 -4.585 -9.399 1.00 0.00 C ATOM 270 O TYR A 21 1.173 -5.535 -8.911 1.00 0.00 O ATOM 271 CB TYR A 21 1.391 -2.416 -8.217 1.00 0.00 C ATOM 272 CG TYR A 21 1.521 -0.926 -8.439 1.00 0.00 C ATOM 273 CD1 TYR A 21 2.756 -0.348 -8.705 1.00 0.00 C ATOM 274 CD2 TYR A 21 0.408 -0.095 -8.383 1.00 0.00 C ATOM 275 CE1 TYR A 21 2.880 1.012 -8.908 1.00 0.00 C ATOM 276 CE2 TYR A 21 0.522 1.266 -8.586 1.00 0.00 C ATOM 277 CZ TYR A 21 1.760 1.815 -8.848 1.00 0.00 C ATOM 278 OH TYR A 21 1.878 3.171 -9.050 1.00 0.00 O ATOM 0 H TYR A 21 -0.764 -4.037 -9.193 1.00 0.00 H new ATOM 0 HA TYR A 21 1.583 -2.676 -10.342 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.575 -2.601 -7.518 1.00 0.00 H new ATOM 0 HB3 TYR A 21 2.303 -2.786 -7.747 1.00 0.00 H new ATOM 0 HD1 TYR A 21 3.635 -0.974 -8.754 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.563 -0.521 -8.177 1.00 0.00 H new ATOM 0 HE1 TYR A 21 3.848 1.445 -9.113 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -0.353 1.897 -8.540 1.00 0.00 H new ATOM 0 HH TYR A 21 0.996 3.591 -8.975 1.00 0.00 H new ATOM 288 N ARG A 22 3.025 -4.683 -9.864 1.00 0.00 N ATOM 289 CA ARG A 22 3.756 -5.944 -9.827 1.00 0.00 C ATOM 290 C ARG A 22 5.242 -5.703 -9.578 1.00 0.00 C ATOM 291 O ARG A 22 5.805 -4.708 -10.036 1.00 0.00 O ATOM 292 CB ARG A 22 3.565 -6.708 -11.138 1.00 0.00 C ATOM 293 CG ARG A 22 2.189 -7.337 -11.281 1.00 0.00 C ATOM 294 CD ARG A 22 1.913 -7.753 -12.718 1.00 0.00 C ATOM 295 NE ARG A 22 2.917 -8.687 -13.220 1.00 0.00 N ATOM 296 CZ ARG A 22 2.764 -9.407 -14.326 1.00 0.00 C ATOM 297 NH1 ARG A 22 1.653 -9.300 -15.041 1.00 0.00 N ATOM 298 NH2 ARG A 22 3.724 -10.235 -14.718 1.00 0.00 N ATOM 0 H ARG A 22 3.545 -3.905 -10.270 1.00 0.00 H new ATOM 0 HA ARG A 22 3.359 -6.541 -9.006 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.733 -6.028 -11.973 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.322 -7.490 -11.207 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.116 -8.207 -10.629 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.428 -6.629 -10.954 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.927 -8.214 -12.779 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.891 -6.868 -13.354 1.00 0.00 H new ATOM 0 HE ARG A 22 3.784 -8.792 -12.692 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.914 -8.664 -14.742 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.537 -9.854 -15.890 1.00 0.00 H new ATOM 0 HH21 ARG A 22 4.580 -10.319 -14.170 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.606 -10.787 -15.567 1.00 0.00 H new ATOM 312 N ILE A 23 5.871 -6.620 -8.850 1.00 0.00 N ATOM 313 CA ILE A 23 7.291 -6.507 -8.542 1.00 0.00 C ATOM 314 C ILE A 23 8.147 -6.859 -9.754 1.00 0.00 C ATOM 315 O ILE A 23 7.711 -7.589 -10.644 1.00 0.00 O ATOM 316 CB ILE A 23 7.686 -7.419 -7.365 1.00 0.00 C ATOM 317 CG1 ILE A 23 7.330 -8.874 -7.678 1.00 0.00 C ATOM 318 CG2 ILE A 23 6.998 -6.963 -6.087 1.00 0.00 C ATOM 319 CD1 ILE A 23 8.160 -9.878 -6.909 1.00 0.00 C ATOM 0 H ILE A 23 5.420 -7.449 -8.463 1.00 0.00 H new ATOM 0 HA ILE A 23 7.472 -5.469 -8.263 1.00 0.00 H new ATOM 0 HB ILE A 23 8.764 -7.351 -7.218 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.276 -9.038 -7.453 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.460 -9.050 -8.746 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.287 -7.617 -5.265 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.296 -5.940 -5.859 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.917 -7.005 -6.221 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.853 -10.888 -7.181 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.214 -9.741 -7.152 1.00 0.00 H new ATOM 0 HD13 ILE A 23 8.012 -9.729 -5.839 1.00 0.00 H new ATOM 331 N LYS A 24 9.369 -6.338 -9.780 1.00 0.00 N ATOM 332 CA LYS A 24 10.289 -6.600 -10.880 1.00 0.00 C ATOM 333 C LYS A 24 11.358 -7.607 -10.468 1.00 0.00 C ATOM 334 O LYS A 24 12.118 -7.370 -9.529 1.00 0.00 O ATOM 335 CB LYS A 24 10.950 -5.298 -11.340 1.00 0.00 C ATOM 336 CG LYS A 24 10.882 -5.078 -12.841 1.00 0.00 C ATOM 337 CD LYS A 24 12.128 -5.599 -13.538 1.00 0.00 C ATOM 338 CE LYS A 24 12.340 -4.919 -14.882 1.00 0.00 C ATOM 339 NZ LYS A 24 13.054 -3.621 -14.740 1.00 0.00 N ATOM 0 H LYS A 24 9.745 -5.731 -9.051 1.00 0.00 H new ATOM 0 HA LYS A 24 9.717 -7.022 -11.706 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.470 -4.459 -10.836 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.995 -5.301 -11.029 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.002 -5.580 -13.244 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.766 -4.014 -13.049 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.998 -5.432 -12.903 1.00 0.00 H new ATOM 0 HD3 LYS A 24 12.042 -6.676 -13.683 1.00 0.00 H new ATOM 0 HE2 LYS A 24 12.911 -5.578 -15.536 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.375 -4.752 -15.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.179 -3.189 -15.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 12.497 -2.983 -14.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.985 -3.783 -14.306 1.00 0.00 H new ATOM 583 N LEU A 41 7.358 -3.298 3.597 1.00 0.00 N ATOM 584 CA LEU A 41 6.047 -3.875 3.875 1.00 0.00 C ATOM 585 C LEU A 41 5.194 -3.921 2.611 1.00 0.00 C ATOM 586 O LEU A 41 4.432 -4.865 2.398 1.00 0.00 O ATOM 587 CB LEU A 41 5.331 -3.066 4.958 1.00 0.00 C ATOM 588 CG LEU A 41 3.995 -3.630 5.444 1.00 0.00 C ATOM 589 CD1 LEU A 41 4.213 -4.912 6.234 1.00 0.00 C ATOM 590 CD2 LEU A 41 3.257 -2.601 6.288 1.00 0.00 C ATOM 0 HA LEU A 41 6.194 -4.895 4.230 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.998 -2.975 5.816 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.161 -2.059 4.578 1.00 0.00 H new ATOM 0 HG LEU A 41 3.382 -3.863 4.573 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.252 -5.299 6.572 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.699 -5.652 5.599 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.844 -4.704 7.098 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.309 -3.020 6.625 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.865 -2.337 7.153 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.068 -1.709 5.691 1.00 0.00 H new ATOM 602 N VAL A 42 5.328 -2.897 1.775 1.00 0.00 N ATOM 603 CA VAL A 42 4.572 -2.822 0.530 1.00 0.00 C ATOM 604 C VAL A 42 5.120 -3.798 -0.505 1.00 0.00 C ATOM 605 O VAL A 42 4.366 -4.542 -1.132 1.00 0.00 O ATOM 606 CB VAL A 42 4.598 -1.399 -0.057 1.00 0.00 C ATOM 607 CG1 VAL A 42 3.727 -1.319 -1.301 1.00 0.00 C ATOM 608 CG2 VAL A 42 4.149 -0.385 0.984 1.00 0.00 C ATOM 0 H VAL A 42 5.953 -2.107 1.937 1.00 0.00 H new ATOM 0 HA VAL A 42 3.542 -3.090 0.768 1.00 0.00 H new ATOM 0 HB VAL A 42 5.622 -1.162 -0.344 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.758 -0.306 -1.702 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.098 -2.017 -2.051 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.700 -1.576 -1.043 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.174 0.615 0.552 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.133 -0.617 1.304 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.818 -0.425 1.844 1.00 0.00 H new ATOM 618 N TYR A 43 6.437 -3.789 -0.679 1.00 0.00 N ATOM 619 CA TYR A 43 7.087 -4.672 -1.640 1.00 0.00 C ATOM 620 C TYR A 43 6.725 -6.130 -1.373 1.00 0.00 C ATOM 621 O TYR A 43 6.521 -6.910 -2.302 1.00 0.00 O ATOM 622 CB TYR A 43 8.605 -4.494 -1.583 1.00 0.00 C ATOM 623 CG TYR A 43 9.334 -5.136 -2.741 1.00 0.00 C ATOM 624 CD1 TYR A 43 9.743 -6.463 -2.680 1.00 0.00 C ATOM 625 CD2 TYR A 43 9.614 -4.417 -3.896 1.00 0.00 C ATOM 626 CE1 TYR A 43 10.411 -7.053 -3.735 1.00 0.00 C ATOM 627 CE2 TYR A 43 10.279 -5.000 -4.957 1.00 0.00 C ATOM 628 CZ TYR A 43 10.676 -6.318 -4.872 1.00 0.00 C ATOM 629 OH TYR A 43 11.339 -6.904 -5.926 1.00 0.00 O ATOM 0 H TYR A 43 7.075 -3.180 -0.167 1.00 0.00 H new ATOM 0 HA TYR A 43 6.733 -4.405 -2.636 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.837 -3.429 -1.564 1.00 0.00 H new ATOM 0 HB3 TYR A 43 8.977 -4.918 -0.650 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.535 -7.042 -1.793 1.00 0.00 H new ATOM 0 HD2 TYR A 43 9.306 -3.384 -3.966 1.00 0.00 H new ATOM 0 HE1 TYR A 43 10.724 -8.085 -3.670 1.00 0.00 H new ATOM 0 HE2 TYR A 43 10.487 -4.427 -5.848 1.00 0.00 H new ATOM 0 HH TYR A 43 11.445 -6.251 -6.649 1.00 0.00 H new ATOM 639 N GLN A 44 6.645 -6.488 -0.095 1.00 0.00 N ATOM 640 CA GLN A 44 6.308 -7.852 0.296 1.00 0.00 C ATOM 641 C GLN A 44 4.931 -8.244 -0.232 1.00 0.00 C ATOM 642 O GLN A 44 4.744 -9.347 -0.746 1.00 0.00 O ATOM 643 CB GLN A 44 6.342 -7.992 1.818 1.00 0.00 C ATOM 644 CG GLN A 44 7.744 -8.156 2.382 1.00 0.00 C ATOM 645 CD GLN A 44 8.318 -9.536 2.126 1.00 0.00 C ATOM 646 OE1 GLN A 44 8.107 -10.464 2.908 1.00 0.00 O ATOM 647 NE2 GLN A 44 9.049 -9.679 1.027 1.00 0.00 N ATOM 0 H GLN A 44 6.809 -5.853 0.686 1.00 0.00 H new ATOM 0 HA GLN A 44 7.049 -8.522 -0.140 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.880 -7.112 2.266 1.00 0.00 H new ATOM 0 HB3 GLN A 44 5.739 -8.852 2.109 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.400 -7.406 1.939 1.00 0.00 H new ATOM 0 HG3 GLN A 44 7.724 -7.968 3.456 1.00 0.00 H new ATOM 0 HE21 GLN A 44 9.198 -8.883 0.407 1.00 0.00 H new ATOM 0 HE22 GLN A 44 9.461 -10.585 0.803 1.00 0.00 H new ATOM 656 N ILE A 45 3.972 -7.334 -0.100 1.00 0.00 N ATOM 657 CA ILE A 45 2.613 -7.585 -0.564 1.00 0.00 C ATOM 658 C ILE A 45 2.558 -7.670 -2.086 1.00 0.00 C ATOM 659 O ILE A 45 1.968 -8.594 -2.646 1.00 0.00 O ATOM 660 CB ILE A 45 1.643 -6.488 -0.087 1.00 0.00 C ATOM 661 CG1 ILE A 45 1.649 -6.401 1.440 1.00 0.00 C ATOM 662 CG2 ILE A 45 0.238 -6.763 -0.601 1.00 0.00 C ATOM 663 CD1 ILE A 45 1.061 -5.113 1.974 1.00 0.00 C ATOM 0 H ILE A 45 4.111 -6.417 0.324 1.00 0.00 H new ATOM 0 HA ILE A 45 2.306 -8.540 -0.138 1.00 0.00 H new ATOM 0 HB ILE A 45 1.975 -5.531 -0.489 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.088 -7.243 1.846 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.674 -6.499 1.797 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.436 -5.979 -0.255 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.246 -6.780 -1.691 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.105 -7.727 -0.226 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.098 -5.120 3.063 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.636 -4.267 1.597 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.025 -5.023 1.647 1.00 0.00 H new ATOM 675 N ILE A 46 3.180 -6.700 -2.749 1.00 0.00 N ATOM 676 CA ILE A 46 3.204 -6.667 -4.206 1.00 0.00 C ATOM 677 C ILE A 46 3.890 -7.905 -4.773 1.00 0.00 C ATOM 678 O ILE A 46 3.524 -8.394 -5.842 1.00 0.00 O ATOM 679 CB ILE A 46 3.926 -5.410 -4.728 1.00 0.00 C ATOM 680 CG1 ILE A 46 3.279 -4.148 -4.154 1.00 0.00 C ATOM 681 CG2 ILE A 46 3.903 -5.379 -6.249 1.00 0.00 C ATOM 682 CD1 ILE A 46 4.083 -2.891 -4.400 1.00 0.00 C ATOM 0 H ILE A 46 3.673 -5.928 -2.301 1.00 0.00 H new ATOM 0 HA ILE A 46 2.166 -6.645 -4.538 1.00 0.00 H new ATOM 0 HB ILE A 46 4.965 -5.444 -4.401 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.288 -4.027 -4.591 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.141 -4.277 -3.081 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.417 -4.485 -6.603 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.405 -6.264 -6.639 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.870 -5.365 -6.597 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.564 -2.036 -3.966 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.066 -2.992 -3.939 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.200 -2.738 -5.473 1.00 0.00 H new ATOM 694 N GLU A 47 4.884 -8.409 -4.049 1.00 0.00 N ATOM 695 CA GLU A 47 5.620 -9.591 -4.480 1.00 0.00 C ATOM 696 C GLU A 47 4.758 -10.844 -4.355 1.00 0.00 C ATOM 697 O GLU A 47 4.850 -11.758 -5.175 1.00 0.00 O ATOM 698 CB GLU A 47 6.897 -9.754 -3.653 1.00 0.00 C ATOM 699 CG GLU A 47 7.653 -11.039 -3.948 1.00 0.00 C ATOM 700 CD GLU A 47 7.687 -11.982 -2.761 1.00 0.00 C ATOM 701 OE1 GLU A 47 8.607 -11.852 -1.927 1.00 0.00 O ATOM 702 OE2 GLU A 47 6.793 -12.849 -2.666 1.00 0.00 O ATOM 0 H GLU A 47 5.198 -8.017 -3.161 1.00 0.00 H new ATOM 0 HA GLU A 47 5.889 -9.458 -5.528 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.553 -8.905 -3.842 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.640 -9.728 -2.594 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.188 -11.544 -4.795 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.674 -10.796 -4.243 1.00 0.00 H new ATOM 709 N ASP A 48 3.920 -10.879 -3.325 1.00 0.00 N ATOM 710 CA ASP A 48 3.040 -12.018 -3.092 1.00 0.00 C ATOM 711 C ASP A 48 2.066 -12.198 -4.252 1.00 0.00 C ATOM 712 O ASP A 48 1.595 -13.304 -4.514 1.00 0.00 O ATOM 713 CB ASP A 48 2.268 -11.835 -1.785 1.00 0.00 C ATOM 714 CG ASP A 48 1.114 -12.808 -1.653 1.00 0.00 C ATOM 715 OD1 ASP A 48 1.341 -13.935 -1.165 1.00 0.00 O ATOM 716 OD2 ASP A 48 -0.017 -12.444 -2.039 1.00 0.00 O ATOM 0 H ASP A 48 3.832 -10.131 -2.637 1.00 0.00 H new ATOM 0 HA ASP A 48 3.657 -12.913 -3.017 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.948 -11.966 -0.943 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.887 -10.815 -1.731 1.00 0.00 H new ATOM 721 N ALA A 49 1.768 -11.102 -4.942 1.00 0.00 N ATOM 722 CA ALA A 49 0.850 -11.139 -6.075 1.00 0.00 C ATOM 723 C ALA A 49 1.525 -11.727 -7.309 1.00 0.00 C ATOM 724 O ALA A 49 0.862 -12.274 -8.190 1.00 0.00 O ATOM 725 CB ALA A 49 0.324 -9.743 -6.373 1.00 0.00 C ATOM 0 H ALA A 49 2.148 -10.178 -4.737 1.00 0.00 H new ATOM 0 HA ALA A 49 0.011 -11.783 -5.811 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.360 -9.785 -7.221 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.204 -9.359 -5.500 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.158 -9.083 -6.612 1.00 0.00 H new ATOM 731 N GLY A 50 2.848 -11.610 -7.367 1.00 0.00 N ATOM 732 CA GLY A 50 3.590 -12.134 -8.499 1.00 0.00 C ATOM 733 C GLY A 50 3.059 -11.628 -9.825 1.00 0.00 C ATOM 734 O GLY A 50 2.990 -10.422 -10.055 1.00 0.00 O ATOM 0 H GLY A 50 3.419 -11.162 -6.651 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.639 -11.856 -8.402 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.546 -13.223 -8.485 1.00 0.00 H new ATOM 738 N ASN A 51 2.682 -12.554 -10.701 1.00 0.00 N ATOM 739 CA ASN A 51 2.156 -12.196 -12.013 1.00 0.00 C ATOM 740 C ASN A 51 0.750 -11.613 -11.895 1.00 0.00 C ATOM 741 O ASN A 51 0.341 -10.781 -12.705 1.00 0.00 O ATOM 742 CB ASN A 51 2.136 -13.420 -12.930 1.00 0.00 C ATOM 743 CG ASN A 51 3.499 -13.719 -13.525 1.00 0.00 C ATOM 744 OD1 ASN A 51 4.482 -13.883 -12.801 1.00 0.00 O ATOM 745 ND2 ASN A 51 3.564 -13.791 -14.849 1.00 0.00 N ATOM 0 H ASN A 51 2.731 -13.558 -10.526 1.00 0.00 H new ATOM 0 HA ASN A 51 2.810 -11.438 -12.444 1.00 0.00 H new ATOM 0 HB2 ASN A 51 1.790 -14.287 -12.367 1.00 0.00 H new ATOM 0 HB3 ASN A 51 1.419 -13.256 -13.735 1.00 0.00 H new ATOM 0 HD21 ASN A 51 4.454 -13.989 -15.306 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.724 -13.648 -15.409 1.00 0.00 H new ATOM 752 N LYS A 52 0.016 -12.055 -10.880 1.00 0.00 N ATOM 753 CA LYS A 52 -1.342 -11.577 -10.652 1.00 0.00 C ATOM 754 C LYS A 52 -1.349 -10.085 -10.338 1.00 0.00 C ATOM 755 O LYS A 52 -2.289 -9.371 -10.686 1.00 0.00 O ATOM 756 CB LYS A 52 -1.993 -12.354 -9.505 1.00 0.00 C ATOM 757 CG LYS A 52 -1.951 -13.861 -9.690 1.00 0.00 C ATOM 758 CD LYS A 52 -2.790 -14.301 -10.878 1.00 0.00 C ATOM 759 CE LYS A 52 -4.277 -14.231 -10.566 1.00 0.00 C ATOM 760 NZ LYS A 52 -4.701 -15.316 -9.639 1.00 0.00 N ATOM 0 H LYS A 52 0.339 -12.744 -10.201 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.915 -11.740 -11.565 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.491 -12.097 -8.572 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.031 -12.037 -9.406 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.919 -14.182 -9.833 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.314 -14.350 -8.786 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.567 -13.668 -11.737 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.523 -15.321 -11.156 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.510 -13.263 -10.122 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.846 -14.302 -11.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.740 -15.351 -9.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.338 -16.228 -9.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.322 -15.128 -8.689 1.00 0.00 H new ATOM 774 N GLY A 53 -0.292 -9.619 -9.679 1.00 0.00 N ATOM 775 CA GLY A 53 -0.197 -8.213 -9.330 1.00 0.00 C ATOM 776 C GLY A 53 -1.204 -7.808 -8.272 1.00 0.00 C ATOM 777 O GLY A 53 -2.237 -8.458 -8.108 1.00 0.00 O ATOM 0 H GLY A 53 0.499 -10.189 -9.381 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.809 -7.999 -8.970 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.351 -7.609 -10.224 1.00 0.00 H new ATOM 781 N ILE A 54 -0.903 -6.733 -7.552 1.00 0.00 N ATOM 782 CA ILE A 54 -1.790 -6.244 -6.504 1.00 0.00 C ATOM 783 C ILE A 54 -2.266 -4.826 -6.804 1.00 0.00 C ATOM 784 O ILE A 54 -1.479 -3.968 -7.202 1.00 0.00 O ATOM 785 CB ILE A 54 -1.098 -6.260 -5.128 1.00 0.00 C ATOM 786 CG1 ILE A 54 -2.109 -5.955 -4.021 1.00 0.00 C ATOM 787 CG2 ILE A 54 0.046 -5.257 -5.098 1.00 0.00 C ATOM 788 CD1 ILE A 54 -2.143 -7.001 -2.928 1.00 0.00 C ATOM 0 H ILE A 54 -0.052 -6.184 -7.675 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.648 -6.916 -6.478 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.688 -7.255 -4.956 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.871 -4.987 -3.579 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.102 -5.869 -4.461 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.525 -5.280 -4.119 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.776 -5.515 -5.865 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.342 -4.256 -5.288 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.882 -6.719 -2.178 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.411 -7.967 -3.357 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.161 -7.072 -2.461 1.00 0.00 H new ATOM 800 N TRP A 55 -3.558 -4.589 -6.609 1.00 0.00 N ATOM 801 CA TRP A 55 -4.139 -3.275 -6.858 1.00 0.00 C ATOM 802 C TRP A 55 -3.788 -2.303 -5.737 1.00 0.00 C ATOM 803 O TRP A 55 -3.617 -2.705 -4.586 1.00 0.00 O ATOM 804 CB TRP A 55 -5.659 -3.384 -6.997 1.00 0.00 C ATOM 805 CG TRP A 55 -6.091 -4.401 -8.009 1.00 0.00 C ATOM 806 CD1 TRP A 55 -6.112 -5.757 -7.851 1.00 0.00 C ATOM 807 CD2 TRP A 55 -6.562 -4.142 -9.336 1.00 0.00 C ATOM 808 NE1 TRP A 55 -6.568 -6.357 -9.000 1.00 0.00 N ATOM 809 CE2 TRP A 55 -6.851 -5.389 -9.926 1.00 0.00 C ATOM 810 CE3 TRP A 55 -6.769 -2.980 -10.084 1.00 0.00 C ATOM 811 CZ2 TRP A 55 -7.335 -5.502 -11.227 1.00 0.00 C ATOM 812 CZ3 TRP A 55 -7.249 -3.094 -11.374 1.00 0.00 C ATOM 813 CH2 TRP A 55 -7.528 -4.347 -11.935 1.00 0.00 C ATOM 0 H TRP A 55 -4.223 -5.289 -6.279 1.00 0.00 H new ATOM 0 HA TRP A 55 -3.722 -2.892 -7.790 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -6.088 -3.641 -6.028 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -6.062 -2.410 -7.276 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -5.814 -6.281 -6.955 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -6.678 -7.361 -9.140 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -6.557 -2.009 -9.661 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -7.550 -6.467 -11.662 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -7.412 -2.202 -11.960 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -7.903 -4.402 -12.946 1.00 0.00 H new ATOM 824 N SER A 56 -3.681 -1.023 -6.080 1.00 0.00 N ATOM 825 CA SER A 56 -3.346 0.005 -5.102 1.00 0.00 C ATOM 826 C SER A 56 -4.302 -0.043 -3.914 1.00 0.00 C ATOM 827 O SER A 56 -3.942 0.331 -2.798 1.00 0.00 O ATOM 828 CB SER A 56 -3.390 1.390 -5.751 1.00 0.00 C ATOM 829 OG SER A 56 -3.689 2.392 -4.795 1.00 0.00 O ATOM 0 H SER A 56 -3.822 -0.673 -7.028 1.00 0.00 H new ATOM 0 HA SER A 56 -2.336 -0.187 -4.741 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.430 1.606 -6.220 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.141 1.401 -6.541 1.00 0.00 H new ATOM 0 HG SER A 56 -3.710 3.268 -5.234 1.00 0.00 H new ATOM 835 N ARG A 57 -5.522 -0.506 -4.163 1.00 0.00 N ATOM 836 CA ARG A 57 -6.532 -0.603 -3.115 1.00 0.00 C ATOM 837 C ARG A 57 -6.266 -1.804 -2.213 1.00 0.00 C ATOM 838 O ARG A 57 -6.574 -1.779 -1.022 1.00 0.00 O ATOM 839 CB ARG A 57 -7.928 -0.712 -3.731 1.00 0.00 C ATOM 840 CG ARG A 57 -9.039 -0.235 -2.810 1.00 0.00 C ATOM 841 CD ARG A 57 -10.296 0.119 -3.590 1.00 0.00 C ATOM 842 NE ARG A 57 -11.445 0.323 -2.713 1.00 0.00 N ATOM 843 CZ ARG A 57 -12.603 0.828 -3.123 1.00 0.00 C ATOM 844 NH1 ARG A 57 -12.764 1.178 -4.392 1.00 0.00 N ATOM 845 NH2 ARG A 57 -13.602 0.983 -2.265 1.00 0.00 N ATOM 0 H ARG A 57 -5.836 -0.820 -5.081 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.480 0.302 -2.510 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.956 -0.130 -4.652 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.115 -1.750 -4.005 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -9.268 -1.013 -2.082 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.700 0.636 -2.250 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.119 1.024 -4.172 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.519 -0.678 -4.300 1.00 0.00 H new ATOM 0 HE ARG A 57 -11.353 0.063 -1.731 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.998 1.060 -5.055 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -13.654 1.566 -4.705 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -13.482 0.714 -1.288 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -14.491 1.371 -2.582 1.00 0.00 H new ATOM 859 N ASP A 58 -5.694 -2.855 -2.790 1.00 0.00 N ATOM 860 CA ASP A 58 -5.387 -4.067 -2.039 1.00 0.00 C ATOM 861 C ASP A 58 -4.149 -3.867 -1.169 1.00 0.00 C ATOM 862 O ASP A 58 -4.211 -3.990 0.054 1.00 0.00 O ATOM 863 CB ASP A 58 -5.171 -5.243 -2.993 1.00 0.00 C ATOM 864 CG ASP A 58 -6.462 -5.966 -3.322 1.00 0.00 C ATOM 865 OD1 ASP A 58 -7.210 -5.478 -4.195 1.00 0.00 O ATOM 866 OD2 ASP A 58 -6.724 -7.021 -2.707 1.00 0.00 O ATOM 0 H ASP A 58 -5.433 -2.892 -3.775 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.234 -4.288 -1.390 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.716 -4.880 -3.915 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.468 -5.946 -2.545 1.00 0.00 H new ATOM 871 N VAL A 59 -3.025 -3.560 -1.809 1.00 0.00 N ATOM 872 CA VAL A 59 -1.773 -3.344 -1.095 1.00 0.00 C ATOM 873 C VAL A 59 -1.948 -2.323 0.024 1.00 0.00 C ATOM 874 O VAL A 59 -1.252 -2.373 1.038 1.00 0.00 O ATOM 875 CB VAL A 59 -0.661 -2.862 -2.045 1.00 0.00 C ATOM 876 CG1 VAL A 59 -1.097 -1.606 -2.784 1.00 0.00 C ATOM 877 CG2 VAL A 59 0.628 -2.617 -1.274 1.00 0.00 C ATOM 0 H VAL A 59 -2.956 -3.455 -2.821 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.484 -4.303 -0.666 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.474 -3.642 -2.783 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.298 -1.280 -3.451 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.992 -1.820 -3.368 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.313 -0.817 -2.064 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.403 -2.277 -1.960 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.458 -1.856 -0.513 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.947 -3.543 -0.796 1.00 0.00 H new ATOM 887 N ARG A 60 -2.884 -1.398 -0.167 1.00 0.00 N ATOM 888 CA ARG A 60 -3.150 -0.365 0.826 1.00 0.00 C ATOM 889 C ARG A 60 -3.900 -0.942 2.023 1.00 0.00 C ATOM 890 O ARG A 60 -3.621 -0.593 3.170 1.00 0.00 O ATOM 891 CB ARG A 60 -3.961 0.774 0.203 1.00 0.00 C ATOM 892 CG ARG A 60 -4.189 1.944 1.145 1.00 0.00 C ATOM 893 CD ARG A 60 -5.500 2.654 0.844 1.00 0.00 C ATOM 894 NE ARG A 60 -6.608 2.112 1.627 1.00 0.00 N ATOM 895 CZ ARG A 60 -7.815 2.665 1.672 1.00 0.00 C ATOM 896 NH1 ARG A 60 -8.069 3.769 0.983 1.00 0.00 N ATOM 897 NH2 ARG A 60 -8.772 2.112 2.408 1.00 0.00 N ATOM 0 H ARG A 60 -3.470 -1.343 -1.000 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.193 0.026 1.173 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.445 1.131 -0.688 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -4.927 0.386 -0.122 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.195 1.587 2.175 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.363 2.650 1.057 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.393 3.718 1.055 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -5.727 2.561 -0.218 1.00 0.00 H new ATOM 0 HE ARG A 60 -6.446 1.263 2.168 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -7.337 4.196 0.416 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -8.997 4.191 1.020 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -8.580 1.262 2.939 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -9.699 2.537 2.442 1.00 0.00 H new ATOM 911 N TYR A 61 -4.853 -1.825 1.748 1.00 0.00 N ATOM 912 CA TYR A 61 -5.645 -2.448 2.801 1.00 0.00 C ATOM 913 C TYR A 61 -4.787 -3.383 3.648 1.00 0.00 C ATOM 914 O TYR A 61 -4.793 -3.309 4.877 1.00 0.00 O ATOM 915 CB TYR A 61 -6.818 -3.223 2.197 1.00 0.00 C ATOM 916 CG TYR A 61 -8.088 -3.130 3.011 1.00 0.00 C ATOM 917 CD1 TYR A 61 -8.663 -1.899 3.301 1.00 0.00 C ATOM 918 CD2 TYR A 61 -8.715 -4.274 3.489 1.00 0.00 C ATOM 919 CE1 TYR A 61 -9.823 -1.810 4.045 1.00 0.00 C ATOM 920 CE2 TYR A 61 -9.877 -4.195 4.232 1.00 0.00 C ATOM 921 CZ TYR A 61 -10.427 -2.960 4.508 1.00 0.00 C ATOM 922 OH TYR A 61 -11.584 -2.876 5.248 1.00 0.00 O ATOM 0 H TYR A 61 -5.096 -2.126 0.804 1.00 0.00 H new ATOM 0 HA TYR A 61 -6.033 -1.657 3.443 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -7.012 -2.847 1.192 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.537 -4.271 2.096 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -8.195 -0.996 2.938 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -8.286 -5.242 3.276 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -10.255 -0.845 4.263 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -10.352 -5.095 4.595 1.00 0.00 H new ATOM 0 HH TYR A 61 -11.880 -3.777 5.495 1.00 0.00 H new ATOM 932 N LYS A 62 -4.047 -4.263 2.981 1.00 0.00 N ATOM 933 CA LYS A 62 -3.181 -5.213 3.670 1.00 0.00 C ATOM 934 C LYS A 62 -2.082 -4.487 4.439 1.00 0.00 C ATOM 935 O LYS A 62 -1.640 -4.948 5.492 1.00 0.00 O ATOM 936 CB LYS A 62 -2.558 -6.186 2.666 1.00 0.00 C ATOM 937 CG LYS A 62 -3.539 -7.211 2.124 1.00 0.00 C ATOM 938 CD LYS A 62 -2.835 -8.274 1.298 1.00 0.00 C ATOM 939 CE LYS A 62 -2.139 -9.298 2.183 1.00 0.00 C ATOM 940 NZ LYS A 62 -2.997 -10.489 2.432 1.00 0.00 N ATOM 0 H LYS A 62 -4.030 -4.338 1.964 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.789 -5.773 4.381 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.141 -5.619 1.834 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.728 -6.707 3.144 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.068 -7.683 2.952 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -4.289 -6.710 1.511 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.559 -8.777 0.658 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.104 -7.802 0.642 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.208 -9.613 1.711 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.874 -8.836 3.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.488 -11.163 3.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.874 -10.192 2.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.229 -10.945 1.527 1.00 0.00 H new ATOM 954 N SER A 63 -1.646 -3.349 3.908 1.00 0.00 N ATOM 955 CA SER A 63 -0.596 -2.561 4.545 1.00 0.00 C ATOM 956 C SER A 63 -1.172 -1.684 5.652 1.00 0.00 C ATOM 957 O SER A 63 -0.463 -1.285 6.575 1.00 0.00 O ATOM 958 CB SER A 63 0.117 -1.691 3.508 1.00 0.00 C ATOM 959 OG SER A 63 1.296 -1.119 4.047 1.00 0.00 O ATOM 0 H SER A 63 -2.003 -2.952 3.039 1.00 0.00 H new ATOM 0 HA SER A 63 0.124 -3.249 4.988 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.367 -2.293 2.634 1.00 0.00 H new ATOM 0 HB3 SER A 63 -0.553 -0.900 3.169 1.00 0.00 H new ATOM 0 HG SER A 63 1.890 -0.845 3.317 1.00 0.00 H new ATOM 965 N ASN A 64 -2.464 -1.388 5.553 1.00 0.00 N ATOM 966 CA ASN A 64 -3.136 -0.558 6.546 1.00 0.00 C ATOM 967 C ASN A 64 -2.549 0.850 6.565 1.00 0.00 C ATOM 968 O ASN A 64 -2.535 1.514 7.602 1.00 0.00 O ATOM 969 CB ASN A 64 -3.019 -1.191 7.934 1.00 0.00 C ATOM 970 CG ASN A 64 -4.344 -1.214 8.672 1.00 0.00 C ATOM 971 OD1 ASN A 64 -5.123 -0.264 8.603 1.00 0.00 O ATOM 972 ND2 ASN A 64 -4.605 -2.304 9.385 1.00 0.00 N ATOM 0 H ASN A 64 -3.066 -1.710 4.795 1.00 0.00 H new ATOM 0 HA ASN A 64 -4.189 -0.490 6.273 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.643 -2.209 7.835 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -2.288 -0.637 8.523 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.480 -2.377 9.903 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.930 -3.068 9.414 1.00 0.00 H new ATOM 979 N LEU A 65 -2.066 1.299 5.413 1.00 0.00 N ATOM 980 CA LEU A 65 -1.477 2.629 5.296 1.00 0.00 C ATOM 981 C LEU A 65 -2.376 3.552 4.480 1.00 0.00 C ATOM 982 O LEU A 65 -3.019 3.139 3.514 1.00 0.00 O ATOM 983 CB LEU A 65 -0.094 2.541 4.648 1.00 0.00 C ATOM 984 CG LEU A 65 0.933 1.671 5.373 1.00 0.00 C ATOM 985 CD1 LEU A 65 2.282 1.743 4.675 1.00 0.00 C ATOM 986 CD2 LEU A 65 1.060 2.097 6.829 1.00 0.00 C ATOM 0 H LEU A 65 -2.070 0.762 4.546 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.375 3.044 6.299 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.214 2.158 3.634 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.310 3.550 4.562 1.00 0.00 H new ATOM 0 HG LEU A 65 0.588 0.637 5.346 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.000 1.117 5.205 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.180 1.389 3.649 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.634 2.775 4.669 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.795 1.467 7.330 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.381 3.138 6.877 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.095 1.992 7.324 1.00 0.00 H new ATOM 998 N PRO A 66 -2.422 4.834 4.874 1.00 0.00 N ATOM 999 CA PRO A 66 -3.237 5.843 4.191 1.00 0.00 C ATOM 1000 C PRO A 66 -2.695 6.186 2.808 1.00 0.00 C ATOM 1001 O PRO A 66 -1.501 6.037 2.543 1.00 0.00 O ATOM 1002 CB PRO A 66 -3.145 7.058 5.117 1.00 0.00 C ATOM 1003 CG PRO A 66 -1.862 6.879 5.852 1.00 0.00 C ATOM 1004 CD PRO A 66 -1.682 5.396 6.016 1.00 0.00 C ATOM 0 HA PRO A 66 -4.256 5.496 4.019 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.150 7.989 4.550 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.992 7.098 5.803 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.031 7.314 5.297 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -1.894 7.378 6.821 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.629 5.114 5.991 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.083 5.045 6.967 1.00 0.00 H new ATOM 1012 N LEU A 67 -3.578 6.646 1.928 1.00 0.00 N ATOM 1013 CA LEU A 67 -3.188 7.010 0.571 1.00 0.00 C ATOM 1014 C LEU A 67 -2.014 7.984 0.585 1.00 0.00 C ATOM 1015 O LEU A 67 -1.100 7.884 -0.235 1.00 0.00 O ATOM 1016 CB LEU A 67 -4.372 7.632 -0.171 1.00 0.00 C ATOM 1017 CG LEU A 67 -5.001 8.865 0.480 1.00 0.00 C ATOM 1018 CD1 LEU A 67 -4.504 10.135 -0.192 1.00 0.00 C ATOM 1019 CD2 LEU A 67 -6.519 8.785 0.419 1.00 0.00 C ATOM 0 H LEU A 67 -4.569 6.776 2.131 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.878 6.103 0.052 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.044 7.903 -1.174 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.145 6.871 -0.283 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.701 8.892 1.528 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.962 11.002 0.284 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.420 10.198 -0.095 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.773 10.117 -1.248 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.949 9.671 0.887 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.839 8.733 -0.622 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.858 7.894 0.948 1.00 0.00 H new ATOM 1031 N THR A 68 -2.044 8.926 1.523 1.00 0.00 N ATOM 1032 CA THR A 68 -0.982 9.916 1.645 1.00 0.00 C ATOM 1033 C THR A 68 0.381 9.248 1.784 1.00 0.00 C ATOM 1034 O THR A 68 1.406 9.829 1.430 1.00 0.00 O ATOM 1035 CB THR A 68 -1.213 10.841 2.855 1.00 0.00 C ATOM 1036 OG1 THR A 68 -2.554 11.342 2.839 1.00 0.00 O ATOM 1037 CG2 THR A 68 -0.232 12.004 2.842 1.00 0.00 C ATOM 0 H THR A 68 -2.793 9.024 2.209 1.00 0.00 H new ATOM 0 HA THR A 68 -1.000 10.511 0.732 1.00 0.00 H new ATOM 0 HB THR A 68 -1.053 10.261 3.764 1.00 0.00 H new ATOM 0 HG1 THR A 68 -2.694 11.928 3.612 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.414 12.643 3.706 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.787 11.621 2.883 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.365 12.582 1.928 1.00 0.00 H new ATOM 1045 N GLU A 69 0.384 8.023 2.302 1.00 0.00 N ATOM 1046 CA GLU A 69 1.623 7.276 2.487 1.00 0.00 C ATOM 1047 C GLU A 69 1.914 6.396 1.275 1.00 0.00 C ATOM 1048 O GLU A 69 2.947 6.544 0.621 1.00 0.00 O ATOM 1049 CB GLU A 69 1.540 6.414 3.749 1.00 0.00 C ATOM 1050 CG GLU A 69 1.772 7.192 5.033 1.00 0.00 C ATOM 1051 CD GLU A 69 3.234 7.233 5.435 1.00 0.00 C ATOM 1052 OE1 GLU A 69 3.928 6.212 5.247 1.00 0.00 O ATOM 1053 OE2 GLU A 69 3.683 8.284 5.938 1.00 0.00 O ATOM 0 H GLU A 69 -0.456 7.528 2.600 1.00 0.00 H new ATOM 0 HA GLU A 69 2.437 7.993 2.597 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.559 5.942 3.792 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.276 5.613 3.681 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.405 8.211 4.907 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.191 6.741 5.837 1.00 0.00 H new ATOM 1060 N ILE A 70 0.997 5.481 0.982 1.00 0.00 N ATOM 1061 CA ILE A 70 1.154 4.577 -0.151 1.00 0.00 C ATOM 1062 C ILE A 70 1.466 5.348 -1.430 1.00 0.00 C ATOM 1063 O ILE A 70 2.166 4.851 -2.311 1.00 0.00 O ATOM 1064 CB ILE A 70 -0.110 3.726 -0.373 1.00 0.00 C ATOM 1065 CG1 ILE A 70 -0.416 2.893 0.873 1.00 0.00 C ATOM 1066 CG2 ILE A 70 0.063 2.827 -1.588 1.00 0.00 C ATOM 1067 CD1 ILE A 70 0.650 1.868 1.191 1.00 0.00 C ATOM 0 H ILE A 70 0.137 5.346 1.513 1.00 0.00 H new ATOM 0 HA ILE A 70 1.988 3.917 0.086 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.952 4.394 -0.556 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.533 3.561 1.727 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.369 2.383 0.734 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.839 2.232 -1.732 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.238 3.440 -2.472 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.914 2.164 -1.432 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.367 1.314 2.086 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.752 1.177 0.354 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.601 2.373 1.362 1.00 0.00 H new ATOM 1079 N ASN A 71 0.941 6.565 -1.523 1.00 0.00 N ATOM 1080 CA ASN A 71 1.164 7.406 -2.693 1.00 0.00 C ATOM 1081 C ASN A 71 2.655 7.635 -2.923 1.00 0.00 C ATOM 1082 O ASN A 71 3.139 7.562 -4.052 1.00 0.00 O ATOM 1083 CB ASN A 71 0.450 8.749 -2.526 1.00 0.00 C ATOM 1084 CG ASN A 71 -1.005 8.687 -2.948 1.00 0.00 C ATOM 1085 OD1 ASN A 71 -1.489 7.648 -3.398 1.00 0.00 O ATOM 1086 ND2 ASN A 71 -1.711 9.803 -2.805 1.00 0.00 N ATOM 0 H ASN A 71 0.358 6.991 -0.802 1.00 0.00 H new ATOM 0 HA ASN A 71 0.755 6.891 -3.562 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.510 9.062 -1.484 1.00 0.00 H new ATOM 0 HB3 ASN A 71 0.965 9.507 -3.117 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.695 9.822 -3.073 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.269 10.641 -2.428 1.00 0.00 H new ATOM 1093 N LYS A 72 3.378 7.913 -1.843 1.00 0.00 N ATOM 1094 CA LYS A 72 4.814 8.151 -1.924 1.00 0.00 C ATOM 1095 C LYS A 72 5.579 6.835 -2.021 1.00 0.00 C ATOM 1096 O LYS A 72 6.608 6.752 -2.692 1.00 0.00 O ATOM 1097 CB LYS A 72 5.291 8.942 -0.704 1.00 0.00 C ATOM 1098 CG LYS A 72 6.801 9.084 -0.623 1.00 0.00 C ATOM 1099 CD LYS A 72 7.221 9.885 0.598 1.00 0.00 C ATOM 1100 CE LYS A 72 6.726 11.321 0.519 1.00 0.00 C ATOM 1101 NZ LYS A 72 7.405 12.198 1.512 1.00 0.00 N ATOM 0 H LYS A 72 2.992 7.979 -0.901 1.00 0.00 H new ATOM 0 HA LYS A 72 5.010 8.732 -2.825 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.842 9.935 -0.727 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.932 8.451 0.200 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.259 8.096 -0.586 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.170 9.573 -1.525 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.827 9.412 1.498 1.00 0.00 H new ATOM 0 HD3 LYS A 72 8.308 9.878 0.683 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.897 11.709 -0.485 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.650 11.344 0.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.040 13.168 1.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.221 11.843 2.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.429 12.197 1.333 1.00 0.00 H new ATOM 1115 N ILE A 73 5.070 5.809 -1.347 1.00 0.00 N ATOM 1116 CA ILE A 73 5.704 4.497 -1.360 1.00 0.00 C ATOM 1117 C ILE A 73 5.673 3.884 -2.756 1.00 0.00 C ATOM 1118 O ILE A 73 6.717 3.575 -3.334 1.00 0.00 O ATOM 1119 CB ILE A 73 5.021 3.531 -0.373 1.00 0.00 C ATOM 1120 CG1 ILE A 73 5.063 4.103 1.045 1.00 0.00 C ATOM 1121 CG2 ILE A 73 5.690 2.166 -0.419 1.00 0.00 C ATOM 1122 CD1 ILE A 73 4.185 3.355 2.024 1.00 0.00 C ATOM 0 H ILE A 73 4.220 5.861 -0.785 1.00 0.00 H new ATOM 0 HA ILE A 73 6.740 4.645 -1.054 1.00 0.00 H new ATOM 0 HB ILE A 73 3.978 3.413 -0.666 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.092 4.085 1.405 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.753 5.148 1.016 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.196 1.495 0.284 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.613 1.757 -1.426 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.741 2.266 -0.147 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.264 3.815 3.009 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.149 3.394 1.687 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.508 2.316 2.082 1.00 0.00 H new ATOM 1134 N LEU A 74 4.471 3.714 -3.295 1.00 0.00 N ATOM 1135 CA LEU A 74 4.303 3.140 -4.626 1.00 0.00 C ATOM 1136 C LEU A 74 5.160 3.879 -5.649 1.00 0.00 C ATOM 1137 O LEU A 74 5.645 3.287 -6.613 1.00 0.00 O ATOM 1138 CB LEU A 74 2.833 3.191 -5.043 1.00 0.00 C ATOM 1139 CG LEU A 74 1.946 2.063 -4.514 1.00 0.00 C ATOM 1140 CD1 LEU A 74 0.503 2.270 -4.950 1.00 0.00 C ATOM 1141 CD2 LEU A 74 2.460 0.712 -4.989 1.00 0.00 C ATOM 0 H LEU A 74 3.598 3.965 -2.831 1.00 0.00 H new ATOM 0 HA LEU A 74 4.628 2.100 -4.590 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.415 4.141 -4.711 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.784 3.184 -6.132 1.00 0.00 H new ATOM 0 HG LEU A 74 1.981 2.080 -3.425 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.114 1.458 -4.565 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.138 3.220 -4.560 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.450 2.281 -6.039 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.816 -0.078 -4.603 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.456 0.684 -6.079 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.477 0.562 -4.626 1.00 0.00 H new ATOM 1153 N LYS A 75 5.344 5.177 -5.432 1.00 0.00 N ATOM 1154 CA LYS A 75 6.145 5.998 -6.332 1.00 0.00 C ATOM 1155 C LYS A 75 7.633 5.832 -6.041 1.00 0.00 C ATOM 1156 O LYS A 75 8.466 5.933 -6.941 1.00 0.00 O ATOM 1157 CB LYS A 75 5.750 7.471 -6.200 1.00 0.00 C ATOM 1158 CG LYS A 75 5.049 8.025 -7.428 1.00 0.00 C ATOM 1159 CD LYS A 75 3.682 7.390 -7.624 1.00 0.00 C ATOM 1160 CE LYS A 75 2.562 8.371 -7.312 1.00 0.00 C ATOM 1161 NZ LYS A 75 1.296 8.006 -8.006 1.00 0.00 N ATOM 0 H LYS A 75 4.949 5.683 -4.640 1.00 0.00 H new ATOM 0 HA LYS A 75 5.953 5.667 -7.353 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.096 7.587 -5.335 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.645 8.062 -6.005 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.939 9.105 -7.329 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.664 7.847 -8.310 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.586 7.041 -8.652 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.590 6.515 -6.981 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.392 8.397 -6.236 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.864 9.375 -7.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.557 8.698 -7.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.452 8.005 -9.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.994 7.059 -7.701 1.00 0.00 H new ATOM 1175 N ASN A 76 7.959 5.576 -4.778 1.00 0.00 N ATOM 1176 CA ASN A 76 9.347 5.395 -4.369 1.00 0.00 C ATOM 1177 C ASN A 76 9.968 4.190 -5.070 1.00 0.00 C ATOM 1178 O ASN A 76 10.941 4.323 -5.813 1.00 0.00 O ATOM 1179 CB ASN A 76 9.435 5.218 -2.852 1.00 0.00 C ATOM 1180 CG ASN A 76 10.460 6.140 -2.221 1.00 0.00 C ATOM 1181 OD1 ASN A 76 11.559 6.319 -2.748 1.00 0.00 O ATOM 1182 ND2 ASN A 76 10.105 6.731 -1.086 1.00 0.00 N ATOM 0 H ASN A 76 7.281 5.489 -4.021 1.00 0.00 H new ATOM 0 HA ASN A 76 9.904 6.287 -4.657 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.457 5.409 -2.409 1.00 0.00 H new ATOM 0 HB3 ASN A 76 9.692 4.183 -2.624 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.753 7.362 -0.615 1.00 0.00 H new ATOM 0 HD22 ASN A 76 9.184 6.554 -0.685 1.00 0.00 H new ATOM 1189 N LEU A 77 9.398 3.015 -4.828 1.00 0.00 N ATOM 1190 CA LEU A 77 9.895 1.785 -5.436 1.00 0.00 C ATOM 1191 C LEU A 77 10.019 1.936 -6.949 1.00 0.00 C ATOM 1192 O LEU A 77 10.949 1.412 -7.560 1.00 0.00 O ATOM 1193 CB LEU A 77 8.964 0.617 -5.104 1.00 0.00 C ATOM 1194 CG LEU A 77 9.192 -0.058 -3.751 1.00 0.00 C ATOM 1195 CD1 LEU A 77 7.938 -0.794 -3.304 1.00 0.00 C ATOM 1196 CD2 LEU A 77 10.375 -1.013 -3.823 1.00 0.00 C ATOM 0 H LEU A 77 8.592 2.888 -4.216 1.00 0.00 H new ATOM 0 HA LEU A 77 10.885 1.581 -5.027 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.936 0.976 -5.140 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.066 -0.136 -5.885 1.00 0.00 H new ATOM 0 HG LEU A 77 9.418 0.714 -3.015 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.119 -1.268 -2.339 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.114 -0.086 -3.212 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.681 -1.556 -4.040 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.522 -1.484 -2.851 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.178 -1.780 -4.572 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.273 -0.460 -4.098 1.00 0.00 H new ATOM 1208 N GLU A 78 9.076 2.659 -7.545 1.00 0.00 N ATOM 1209 CA GLU A 78 9.081 2.880 -8.987 1.00 0.00 C ATOM 1210 C GLU A 78 10.389 3.527 -9.433 1.00 0.00 C ATOM 1211 O GLU A 78 11.107 2.985 -10.273 1.00 0.00 O ATOM 1212 CB GLU A 78 7.899 3.762 -9.394 1.00 0.00 C ATOM 1213 CG GLU A 78 7.354 3.449 -10.777 1.00 0.00 C ATOM 1214 CD GLU A 78 7.759 4.480 -11.812 1.00 0.00 C ATOM 1215 OE1 GLU A 78 8.826 4.307 -12.437 1.00 0.00 O ATOM 1216 OE2 GLU A 78 7.009 5.462 -11.996 1.00 0.00 O ATOM 0 H GLU A 78 8.300 3.101 -7.053 1.00 0.00 H new ATOM 0 HA GLU A 78 8.988 1.911 -9.478 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.100 3.644 -8.662 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.208 4.807 -9.362 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.710 2.467 -11.090 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.266 3.394 -10.731 1.00 0.00 H new ATOM 1223 N SER A 79 10.692 4.690 -8.864 1.00 0.00 N ATOM 1224 CA SER A 79 11.911 5.413 -9.206 1.00 0.00 C ATOM 1225 C SER A 79 13.143 4.545 -8.968 1.00 0.00 C ATOM 1226 O SER A 79 14.124 4.621 -9.708 1.00 0.00 O ATOM 1227 CB SER A 79 12.013 6.700 -8.384 1.00 0.00 C ATOM 1228 OG SER A 79 12.361 7.802 -9.203 1.00 0.00 O ATOM 0 H SER A 79 10.110 5.151 -8.165 1.00 0.00 H new ATOM 0 HA SER A 79 11.868 5.669 -10.265 1.00 0.00 H new ATOM 0 HB2 SER A 79 11.061 6.896 -7.890 1.00 0.00 H new ATOM 0 HB3 SER A 79 12.759 6.576 -7.599 1.00 0.00 H new ATOM 0 HG SER A 79 12.418 8.612 -8.654 1.00 0.00 H new ATOM 1234 N LYS A 80 13.085 3.719 -7.929 1.00 0.00 N ATOM 1235 CA LYS A 80 14.193 2.834 -7.591 1.00 0.00 C ATOM 1236 C LYS A 80 14.363 1.747 -8.647 1.00 0.00 C ATOM 1237 O LYS A 80 15.373 1.043 -8.672 1.00 0.00 O ATOM 1238 CB LYS A 80 13.964 2.196 -6.219 1.00 0.00 C ATOM 1239 CG LYS A 80 13.526 3.185 -5.153 1.00 0.00 C ATOM 1240 CD LYS A 80 14.432 3.129 -3.935 1.00 0.00 C ATOM 1241 CE LYS A 80 13.633 3.194 -2.642 1.00 0.00 C ATOM 1242 NZ LYS A 80 13.634 4.565 -2.059 1.00 0.00 N ATOM 0 H LYS A 80 12.281 3.644 -7.306 1.00 0.00 H new ATOM 0 HA LYS A 80 15.105 3.431 -7.559 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.208 1.416 -6.312 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.885 1.710 -5.896 1.00 0.00 H new ATOM 0 HG2 LYS A 80 13.532 4.194 -5.566 1.00 0.00 H new ATOM 0 HG3 LYS A 80 12.500 2.969 -4.855 1.00 0.00 H new ATOM 0 HD2 LYS A 80 15.016 2.209 -3.957 1.00 0.00 H new ATOM 0 HD3 LYS A 80 15.140 3.957 -3.968 1.00 0.00 H new ATOM 0 HE2 LYS A 80 12.607 2.881 -2.833 1.00 0.00 H new ATOM 0 HE3 LYS A 80 14.051 2.492 -1.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 13.490 4.505 -1.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 14.546 5.025 -2.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 12.867 5.124 -2.484 1.00 0.00 H new ATOM 1256 N LYS A 81 13.370 1.617 -9.520 1.00 0.00 N ATOM 1257 CA LYS A 81 13.410 0.618 -10.581 1.00 0.00 C ATOM 1258 C LYS A 81 13.424 -0.793 -10.001 1.00 0.00 C ATOM 1259 O LYS A 81 14.042 -1.699 -10.560 1.00 0.00 O ATOM 1260 CB LYS A 81 14.642 0.830 -11.464 1.00 0.00 C ATOM 1261 CG LYS A 81 14.377 0.606 -12.942 1.00 0.00 C ATOM 1262 CD LYS A 81 15.576 1.000 -13.789 1.00 0.00 C ATOM 1263 CE LYS A 81 15.439 0.495 -15.218 1.00 0.00 C ATOM 1264 NZ LYS A 81 16.480 1.073 -16.112 1.00 0.00 N ATOM 0 H LYS A 81 12.527 2.191 -9.514 1.00 0.00 H new ATOM 0 HA LYS A 81 12.512 0.733 -11.187 1.00 0.00 H new ATOM 0 HB2 LYS A 81 15.012 1.845 -11.320 1.00 0.00 H new ATOM 0 HB3 LYS A 81 15.432 0.154 -11.139 1.00 0.00 H new ATOM 0 HG2 LYS A 81 14.137 -0.443 -13.115 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.507 1.187 -13.249 1.00 0.00 H new ATOM 0 HD2 LYS A 81 15.679 2.085 -13.794 1.00 0.00 H new ATOM 0 HD3 LYS A 81 16.485 0.596 -13.345 1.00 0.00 H new ATOM 0 HE2 LYS A 81 15.515 -0.592 -15.228 1.00 0.00 H new ATOM 0 HE3 LYS A 81 14.450 0.749 -15.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 16.353 0.705 -17.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 16.392 2.109 -16.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 17.423 0.809 -15.762 1.00 0.00 H new ATOM 1278 N LEU A 82 12.739 -0.972 -8.877 1.00 0.00 N ATOM 1279 CA LEU A 82 12.671 -2.273 -8.221 1.00 0.00 C ATOM 1280 C LEU A 82 11.378 -2.998 -8.581 1.00 0.00 C ATOM 1281 O LEU A 82 11.316 -4.227 -8.556 1.00 0.00 O ATOM 1282 CB LEU A 82 12.771 -2.108 -6.704 1.00 0.00 C ATOM 1283 CG LEU A 82 14.131 -1.660 -6.166 1.00 0.00 C ATOM 1284 CD1 LEU A 82 14.028 -1.293 -4.694 1.00 0.00 C ATOM 1285 CD2 LEU A 82 15.172 -2.749 -6.375 1.00 0.00 C ATOM 0 H LEU A 82 12.223 -0.232 -8.401 1.00 0.00 H new ATOM 0 HA LEU A 82 13.511 -2.872 -8.571 1.00 0.00 H new ATOM 0 HB2 LEU A 82 12.021 -1.384 -6.387 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.513 -3.059 -6.237 1.00 0.00 H new ATOM 0 HG LEU A 82 14.445 -0.775 -6.719 1.00 0.00 H new ATOM 0 HD11 LEU A 82 15.005 -0.977 -4.329 1.00 0.00 H new ATOM 0 HD12 LEU A 82 13.314 -0.479 -4.571 1.00 0.00 H new ATOM 0 HD13 LEU A 82 13.691 -2.160 -4.126 1.00 0.00 H new ATOM 0 HD21 LEU A 82 16.133 -2.413 -5.986 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.864 -3.653 -5.849 1.00 0.00 H new ATOM 0 HD23 LEU A 82 15.266 -2.963 -7.440 1.00 0.00 H new ATOM 1297 N ILE A 83 10.348 -2.228 -8.916 1.00 0.00 N ATOM 1298 CA ILE A 83 9.057 -2.797 -9.284 1.00 0.00 C ATOM 1299 C ILE A 83 8.617 -2.315 -10.662 1.00 0.00 C ATOM 1300 O ILE A 83 9.282 -1.486 -11.284 1.00 0.00 O ATOM 1301 CB ILE A 83 7.970 -2.437 -8.255 1.00 0.00 C ATOM 1302 CG1 ILE A 83 7.831 -0.918 -8.137 1.00 0.00 C ATOM 1303 CG2 ILE A 83 8.297 -3.052 -6.902 1.00 0.00 C ATOM 1304 CD1 ILE A 83 6.767 -0.483 -7.153 1.00 0.00 C ATOM 0 H ILE A 83 10.382 -1.209 -8.940 1.00 0.00 H new ATOM 0 HA ILE A 83 9.183 -3.880 -9.304 1.00 0.00 H new ATOM 0 HB ILE A 83 7.018 -2.844 -8.596 1.00 0.00 H new ATOM 0 HG12 ILE A 83 8.789 -0.496 -7.834 1.00 0.00 H new ATOM 0 HG13 ILE A 83 7.597 -0.505 -9.118 1.00 0.00 H new ATOM 0 HG21 ILE A 83 7.519 -2.789 -6.185 1.00 0.00 H new ATOM 0 HG22 ILE A 83 8.349 -4.136 -6.998 1.00 0.00 H new ATOM 0 HG23 ILE A 83 9.257 -2.672 -6.552 1.00 0.00 H new ATOM 0 HD11 ILE A 83 6.724 0.606 -7.121 1.00 0.00 H new ATOM 0 HD12 ILE A 83 5.799 -0.875 -7.466 1.00 0.00 H new ATOM 0 HD13 ILE A 83 7.010 -0.866 -6.162 1.00 0.00 H new ATOM 1316 N LYS A 84 7.491 -2.838 -11.134 1.00 0.00 N ATOM 1317 CA LYS A 84 6.957 -2.460 -12.437 1.00 0.00 C ATOM 1318 C LYS A 84 5.447 -2.255 -12.369 1.00 0.00 C ATOM 1319 O LYS A 84 4.704 -3.167 -12.007 1.00 0.00 O ATOM 1320 CB LYS A 84 7.291 -3.531 -13.478 1.00 0.00 C ATOM 1321 CG LYS A 84 6.731 -4.902 -13.141 1.00 0.00 C ATOM 1322 CD LYS A 84 7.367 -5.989 -13.991 1.00 0.00 C ATOM 1323 CE LYS A 84 6.481 -6.365 -15.169 1.00 0.00 C ATOM 1324 NZ LYS A 84 6.596 -5.385 -16.285 1.00 0.00 N ATOM 0 H LYS A 84 6.929 -3.526 -10.633 1.00 0.00 H new ATOM 0 HA LYS A 84 7.420 -1.518 -12.732 1.00 0.00 H new ATOM 0 HB2 LYS A 84 6.903 -3.217 -14.447 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.374 -3.604 -13.577 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.903 -5.117 -12.086 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.652 -4.903 -13.295 1.00 0.00 H new ATOM 0 HD2 LYS A 84 8.335 -5.647 -14.357 1.00 0.00 H new ATOM 0 HD3 LYS A 84 7.552 -6.871 -13.377 1.00 0.00 H new ATOM 0 HE2 LYS A 84 6.755 -7.357 -15.527 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.443 -6.420 -14.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 6.144 -5.774 -17.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.124 -4.497 -16.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 7.600 -5.198 -16.481 1.00 0.00 H new ATOM 1338 N ALA A 85 5.001 -1.054 -12.720 1.00 0.00 N ATOM 1339 CA ALA A 85 3.580 -0.731 -12.702 1.00 0.00 C ATOM 1340 C ALA A 85 2.875 -1.286 -13.935 1.00 0.00 C ATOM 1341 O ALA A 85 3.429 -1.279 -15.035 1.00 0.00 O ATOM 1342 CB ALA A 85 3.381 0.774 -12.610 1.00 0.00 C ATOM 0 H ALA A 85 5.604 -0.288 -13.021 1.00 0.00 H new ATOM 0 HA ALA A 85 3.138 -1.198 -11.822 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.315 1.000 -12.598 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.842 1.147 -11.695 1.00 0.00 H new ATOM 0 HB3 ALA A 85 3.844 1.256 -13.471 1.00 0.00 H new ATOM 1348 N VAL A 86 1.650 -1.766 -13.746 1.00 0.00 N ATOM 1349 CA VAL A 86 0.869 -2.324 -14.843 1.00 0.00 C ATOM 1350 C VAL A 86 -0.534 -1.729 -14.877 1.00 0.00 C ATOM 1351 O VAL A 86 -1.321 -1.914 -13.949 1.00 0.00 O ATOM 1352 CB VAL A 86 0.763 -3.857 -14.734 1.00 0.00 C ATOM 1353 CG1 VAL A 86 2.072 -4.514 -15.144 1.00 0.00 C ATOM 1354 CG2 VAL A 86 0.372 -4.264 -13.321 1.00 0.00 C ATOM 0 H VAL A 86 1.177 -1.780 -12.842 1.00 0.00 H new ATOM 0 HA VAL A 86 1.391 -2.068 -15.765 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.016 -4.199 -15.415 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.978 -5.597 -15.060 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.305 -4.249 -16.175 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.873 -4.168 -14.491 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.302 -5.350 -13.262 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.127 -3.910 -12.619 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.593 -3.824 -13.069 1.00 0.00 H new ATOM 1364 N LYS A 87 -0.841 -1.015 -15.955 1.00 0.00 N ATOM 1365 CA LYS A 87 -2.151 -0.393 -16.113 1.00 0.00 C ATOM 1366 C LYS A 87 -3.223 -1.444 -16.380 1.00 0.00 C ATOM 1367 O LYS A 87 -2.976 -2.437 -17.064 1.00 0.00 O ATOM 1368 CB LYS A 87 -2.121 0.623 -17.256 1.00 0.00 C ATOM 1369 CG LYS A 87 -3.231 1.657 -17.180 1.00 0.00 C ATOM 1370 CD LYS A 87 -3.456 2.333 -18.522 1.00 0.00 C ATOM 1371 CE LYS A 87 -2.801 3.705 -18.573 1.00 0.00 C ATOM 1372 NZ LYS A 87 -2.437 4.095 -19.963 1.00 0.00 N ATOM 0 H LYS A 87 -0.201 -0.853 -16.732 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.396 0.122 -15.184 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.158 1.134 -17.251 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.195 0.092 -18.205 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.154 1.178 -16.854 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.979 2.408 -16.431 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.053 1.707 -19.318 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -4.526 2.433 -18.705 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -3.480 4.447 -18.154 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -1.906 3.704 -17.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -1.994 5.036 -19.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -1.769 3.401 -20.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -3.294 4.121 -20.552 1.00 0.00 H new