USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=8 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= 1.09 K(o=2.3,f=-3.3) USER MOD Set 1.2: A 80 LYS NZ :NH3+ -144: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= -0.116 X(o=-0.12,f=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 150:sc= -1.17 USER MOD Single : A 64 ASN : amide:sc= -0.031 X(o=-0.031,f=-0.2) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -1.09 K(o=-1.1,f=-3.4!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 229 N LEU A 19 -5.566 0.884 -10.026 1.00 0.00 N ATOM 230 CA LEU A 19 -4.444 0.467 -10.861 1.00 0.00 C ATOM 231 C LEU A 19 -3.780 -0.784 -10.295 1.00 0.00 C ATOM 232 O LEU A 19 -3.866 -1.058 -9.097 1.00 0.00 O ATOM 233 CB LEU A 19 -3.418 1.597 -10.972 1.00 0.00 C ATOM 234 CG LEU A 19 -3.429 2.385 -12.282 1.00 0.00 C ATOM 235 CD1 LEU A 19 -3.306 3.876 -12.009 1.00 0.00 C ATOM 236 CD2 LEU A 19 -2.307 1.915 -13.197 1.00 0.00 C ATOM 0 HA LEU A 19 -4.828 0.234 -11.854 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.584 2.294 -10.150 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.423 1.173 -10.834 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.380 2.205 -12.784 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.316 4.421 -12.953 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.143 4.203 -11.393 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.371 4.074 -11.485 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.330 2.487 -14.125 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.347 2.065 -12.702 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.439 0.856 -13.420 1.00 0.00 H new ATOM 248 N LEU A 20 -3.115 -1.538 -11.163 1.00 0.00 N ATOM 249 CA LEU A 20 -2.433 -2.760 -10.750 1.00 0.00 C ATOM 250 C LEU A 20 -0.935 -2.521 -10.594 1.00 0.00 C ATOM 251 O LEU A 20 -0.360 -1.661 -11.261 1.00 0.00 O ATOM 252 CB LEU A 20 -2.681 -3.875 -11.768 1.00 0.00 C ATOM 253 CG LEU A 20 -2.335 -5.292 -11.309 1.00 0.00 C ATOM 254 CD1 LEU A 20 -3.086 -5.637 -10.032 1.00 0.00 C ATOM 255 CD2 LEU A 20 -2.651 -6.299 -12.404 1.00 0.00 C ATOM 0 H LEU A 20 -3.033 -1.325 -12.157 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.836 -3.063 -9.784 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.733 -3.853 -12.052 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.104 -3.655 -12.666 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.266 -5.335 -11.101 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.828 -6.649 -9.720 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.810 -4.934 -9.246 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.159 -5.576 -10.213 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.398 -7.302 -12.060 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.713 -6.254 -12.644 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.068 -6.063 -13.294 1.00 0.00 H new ATOM 267 N TYR A 21 -0.307 -3.290 -9.711 1.00 0.00 N ATOM 268 CA TYR A 21 1.125 -3.162 -9.468 1.00 0.00 C ATOM 269 C TYR A 21 1.793 -4.533 -9.414 1.00 0.00 C ATOM 270 O TYR A 21 1.177 -5.521 -9.014 1.00 0.00 O ATOM 271 CB TYR A 21 1.376 -2.409 -8.161 1.00 0.00 C ATOM 272 CG TYR A 21 1.515 -0.914 -8.341 1.00 0.00 C ATOM 273 CD1 TYR A 21 0.395 -0.092 -8.381 1.00 0.00 C ATOM 274 CD2 TYR A 21 2.766 -0.323 -8.471 1.00 0.00 C ATOM 275 CE1 TYR A 21 0.517 1.274 -8.546 1.00 0.00 C ATOM 276 CE2 TYR A 21 2.897 1.042 -8.635 1.00 0.00 C ATOM 277 CZ TYR A 21 1.770 1.836 -8.672 1.00 0.00 C ATOM 278 OH TYR A 21 1.897 3.197 -8.836 1.00 0.00 O ATOM 0 H TYR A 21 -0.767 -4.008 -9.152 1.00 0.00 H new ATOM 0 HA TYR A 21 1.559 -2.598 -10.294 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.555 -2.609 -7.473 1.00 0.00 H new ATOM 0 HB3 TYR A 21 2.283 -2.797 -7.696 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.588 -0.529 -8.281 1.00 0.00 H new ATOM 0 HD2 TYR A 21 3.651 -0.942 -8.443 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -0.364 1.898 -8.576 1.00 0.00 H new ATOM 0 HE2 TYR A 21 3.877 1.485 -8.734 1.00 0.00 H new ATOM 0 HH TYR A 21 2.846 3.431 -8.908 1.00 0.00 H new ATOM 288 N ARG A 22 3.057 -4.584 -9.820 1.00 0.00 N ATOM 289 CA ARG A 22 3.810 -5.832 -9.820 1.00 0.00 C ATOM 290 C ARG A 22 5.281 -5.580 -9.502 1.00 0.00 C ATOM 291 O ARG A 22 5.784 -4.471 -9.684 1.00 0.00 O ATOM 292 CB ARG A 22 3.682 -6.530 -11.175 1.00 0.00 C ATOM 293 CG ARG A 22 2.753 -7.733 -11.156 1.00 0.00 C ATOM 294 CD ARG A 22 1.707 -7.646 -12.256 1.00 0.00 C ATOM 295 NE ARG A 22 2.242 -8.055 -13.553 1.00 0.00 N ATOM 296 CZ ARG A 22 1.482 -8.335 -14.606 1.00 0.00 C ATOM 297 NH1 ARG A 22 0.162 -8.251 -14.516 1.00 0.00 N ATOM 298 NH2 ARG A 22 2.043 -8.700 -15.751 1.00 0.00 N ATOM 0 H ARG A 22 3.581 -3.775 -10.153 1.00 0.00 H new ATOM 0 HA ARG A 22 3.395 -6.477 -9.046 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.318 -5.813 -11.911 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.671 -6.850 -11.504 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.336 -8.646 -11.278 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.259 -7.797 -10.187 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.857 -8.278 -11.999 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.335 -6.623 -12.323 1.00 0.00 H new ATOM 0 HE ARG A 22 3.254 -8.130 -13.655 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.272 -7.971 -13.637 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.419 -8.467 -15.326 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.058 -8.766 -15.823 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.459 -8.915 -16.559 1.00 0.00 H new ATOM 312 N ILE A 23 5.964 -6.615 -9.026 1.00 0.00 N ATOM 313 CA ILE A 23 7.377 -6.505 -8.684 1.00 0.00 C ATOM 314 C ILE A 23 8.260 -6.870 -9.872 1.00 0.00 C ATOM 315 O ILE A 23 7.853 -7.626 -10.755 1.00 0.00 O ATOM 316 CB ILE A 23 7.739 -7.411 -7.492 1.00 0.00 C ATOM 317 CG1 ILE A 23 7.376 -8.865 -7.799 1.00 0.00 C ATOM 318 CG2 ILE A 23 7.031 -6.937 -6.232 1.00 0.00 C ATOM 319 CD1 ILE A 23 8.258 -9.871 -7.092 1.00 0.00 C ATOM 0 H ILE A 23 5.562 -7.539 -8.868 1.00 0.00 H new ATOM 0 HA ILE A 23 7.555 -5.466 -8.408 1.00 0.00 H new ATOM 0 HB ILE A 23 8.814 -7.353 -7.324 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.339 -9.040 -7.514 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.443 -9.028 -8.875 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.297 -7.587 -5.399 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.335 -5.915 -6.006 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.953 -6.969 -6.387 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.943 -10.880 -7.356 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.294 -9.723 -7.396 1.00 0.00 H new ATOM 0 HD13 ILE A 23 8.173 -9.735 -6.014 1.00 0.00 H new ATOM 331 N LYS A 24 9.474 -6.329 -9.888 1.00 0.00 N ATOM 332 CA LYS A 24 10.419 -6.599 -10.965 1.00 0.00 C ATOM 333 C LYS A 24 11.452 -7.636 -10.536 1.00 0.00 C ATOM 334 O LYS A 24 12.104 -7.485 -9.503 1.00 0.00 O ATOM 335 CB LYS A 24 11.122 -5.308 -11.390 1.00 0.00 C ATOM 336 CG LYS A 24 11.213 -5.132 -12.896 1.00 0.00 C ATOM 337 CD LYS A 24 12.467 -5.779 -13.458 1.00 0.00 C ATOM 338 CE LYS A 24 12.131 -6.819 -14.517 1.00 0.00 C ATOM 339 NZ LYS A 24 13.038 -7.998 -14.443 1.00 0.00 N ATOM 0 H LYS A 24 9.827 -5.700 -9.166 1.00 0.00 H new ATOM 0 HA LYS A 24 9.861 -6.997 -11.812 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.589 -4.457 -10.965 1.00 0.00 H new ATOM 0 HB3 LYS A 24 12.128 -5.297 -10.970 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.334 -5.570 -13.368 1.00 0.00 H new ATOM 0 HG3 LYS A 24 11.210 -4.070 -13.140 1.00 0.00 H new ATOM 0 HD2 LYS A 24 13.111 -5.013 -13.890 1.00 0.00 H new ATOM 0 HD3 LYS A 24 13.029 -6.249 -12.650 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.099 -7.146 -14.390 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.203 -6.367 -15.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.777 -8.684 -15.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.021 -7.690 -14.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.951 -8.445 -13.508 1.00 0.00 H new ATOM 583 N LEU A 41 7.406 -3.326 3.537 1.00 0.00 N ATOM 584 CA LEU A 41 6.093 -3.906 3.796 1.00 0.00 C ATOM 585 C LEU A 41 5.254 -3.947 2.523 1.00 0.00 C ATOM 586 O LEU A 41 4.553 -4.924 2.260 1.00 0.00 O ATOM 587 CB LEU A 41 5.363 -3.103 4.875 1.00 0.00 C ATOM 588 CG LEU A 41 4.108 -3.752 5.461 1.00 0.00 C ATOM 589 CD1 LEU A 41 4.474 -4.980 6.280 1.00 0.00 C ATOM 590 CD2 LEU A 41 3.339 -2.751 6.311 1.00 0.00 C ATOM 0 HA LEU A 41 6.238 -4.928 4.147 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.061 -2.908 5.689 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.085 -2.136 4.455 1.00 0.00 H new ATOM 0 HG LEU A 41 3.467 -4.069 4.638 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.568 -5.428 6.689 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.981 -5.704 5.643 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.135 -4.689 7.096 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.449 -3.229 6.720 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.973 -2.404 7.127 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.044 -1.902 5.695 1.00 0.00 H new ATOM 602 N VAL A 42 5.332 -2.880 1.734 1.00 0.00 N ATOM 603 CA VAL A 42 4.583 -2.795 0.486 1.00 0.00 C ATOM 604 C VAL A 42 5.157 -3.739 -0.564 1.00 0.00 C ATOM 605 O VAL A 42 4.416 -4.430 -1.264 1.00 0.00 O ATOM 606 CB VAL A 42 4.586 -1.360 -0.073 1.00 0.00 C ATOM 607 CG1 VAL A 42 3.760 -1.282 -1.348 1.00 0.00 C ATOM 608 CG2 VAL A 42 4.067 -0.381 0.969 1.00 0.00 C ATOM 0 H VAL A 42 5.907 -2.062 1.937 1.00 0.00 H new ATOM 0 HA VAL A 42 3.557 -3.087 0.711 1.00 0.00 H new ATOM 0 HB VAL A 42 5.613 -1.086 -0.316 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.774 -0.261 -1.728 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.181 -1.954 -2.096 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.732 -1.576 -1.134 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.076 0.628 0.557 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.048 -0.651 1.246 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.705 -0.418 1.852 1.00 0.00 H new ATOM 618 N TYR A 43 6.481 -3.764 -0.669 1.00 0.00 N ATOM 619 CA TYR A 43 7.155 -4.623 -1.636 1.00 0.00 C ATOM 620 C TYR A 43 6.805 -6.089 -1.400 1.00 0.00 C ATOM 621 O TYR A 43 6.694 -6.871 -2.343 1.00 0.00 O ATOM 622 CB TYR A 43 8.670 -4.429 -1.553 1.00 0.00 C ATOM 623 CG TYR A 43 9.430 -5.112 -2.667 1.00 0.00 C ATOM 624 CD1 TYR A 43 9.843 -6.433 -2.545 1.00 0.00 C ATOM 625 CD2 TYR A 43 9.736 -4.436 -3.842 1.00 0.00 C ATOM 626 CE1 TYR A 43 10.538 -7.061 -3.560 1.00 0.00 C ATOM 627 CE2 TYR A 43 10.429 -5.057 -4.863 1.00 0.00 C ATOM 628 CZ TYR A 43 10.828 -6.369 -4.717 1.00 0.00 C ATOM 629 OH TYR A 43 11.521 -6.990 -5.731 1.00 0.00 O ATOM 0 H TYR A 43 7.109 -3.200 -0.097 1.00 0.00 H new ATOM 0 HA TYR A 43 6.813 -4.343 -2.632 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.893 -3.362 -1.573 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.025 -4.810 -0.596 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.617 -6.978 -1.641 1.00 0.00 H new ATOM 0 HD2 TYR A 43 9.427 -3.408 -3.959 1.00 0.00 H new ATOM 0 HE1 TYR A 43 10.853 -8.088 -3.448 1.00 0.00 H new ATOM 0 HE2 TYR A 43 10.657 -4.518 -5.771 1.00 0.00 H new ATOM 0 HH TYR A 43 11.642 -6.364 -6.476 1.00 0.00 H new ATOM 639 N GLN A 44 6.632 -6.452 -0.133 1.00 0.00 N ATOM 640 CA GLN A 44 6.295 -7.824 0.228 1.00 0.00 C ATOM 641 C GLN A 44 4.914 -8.201 -0.296 1.00 0.00 C ATOM 642 O GLN A 44 4.716 -9.299 -0.817 1.00 0.00 O ATOM 643 CB GLN A 44 6.342 -8.000 1.747 1.00 0.00 C ATOM 644 CG GLN A 44 7.753 -8.079 2.307 1.00 0.00 C ATOM 645 CD GLN A 44 8.361 -9.460 2.164 1.00 0.00 C ATOM 646 OE1 GLN A 44 8.282 -10.284 3.075 1.00 0.00 O ATOM 647 NE2 GLN A 44 8.974 -9.721 1.015 1.00 0.00 N ATOM 0 H GLN A 44 6.720 -5.816 0.660 1.00 0.00 H new ATOM 0 HA GLN A 44 7.031 -8.485 -0.231 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.820 -7.167 2.217 1.00 0.00 H new ATOM 0 HB3 GLN A 44 5.802 -8.908 2.016 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.384 -7.353 1.794 1.00 0.00 H new ATOM 0 HG3 GLN A 44 7.738 -7.800 3.361 1.00 0.00 H new ATOM 0 HE21 GLN A 44 9.016 -9.009 0.286 1.00 0.00 H new ATOM 0 HE22 GLN A 44 9.403 -10.634 0.861 1.00 0.00 H new ATOM 656 N ILE A 45 3.962 -7.285 -0.155 1.00 0.00 N ATOM 657 CA ILE A 45 2.599 -7.522 -0.616 1.00 0.00 C ATOM 658 C ILE A 45 2.542 -7.617 -2.136 1.00 0.00 C ATOM 659 O ILE A 45 1.911 -8.519 -2.688 1.00 0.00 O ATOM 660 CB ILE A 45 1.645 -6.408 -0.146 1.00 0.00 C ATOM 661 CG1 ILE A 45 1.686 -6.280 1.378 1.00 0.00 C ATOM 662 CG2 ILE A 45 0.227 -6.690 -0.622 1.00 0.00 C ATOM 663 CD1 ILE A 45 1.040 -5.014 1.895 1.00 0.00 C ATOM 0 H ILE A 45 4.109 -6.372 0.275 1.00 0.00 H new ATOM 0 HA ILE A 45 2.279 -8.470 -0.183 1.00 0.00 H new ATOM 0 HB ILE A 45 1.972 -5.463 -0.579 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.185 -7.141 1.821 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.724 -6.310 1.709 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.436 -5.894 -0.282 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.211 -6.735 -1.711 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.111 -7.643 -0.214 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.106 -4.990 2.983 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.555 -4.147 1.481 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.007 -4.991 1.594 1.00 0.00 H new ATOM 675 N ILE A 46 3.207 -6.683 -2.808 1.00 0.00 N ATOM 676 CA ILE A 46 3.234 -6.664 -4.265 1.00 0.00 C ATOM 677 C ILE A 46 3.924 -7.906 -4.818 1.00 0.00 C ATOM 678 O ILE A 46 3.534 -8.432 -5.860 1.00 0.00 O ATOM 679 CB ILE A 46 3.953 -5.411 -4.799 1.00 0.00 C ATOM 680 CG1 ILE A 46 3.285 -4.145 -4.259 1.00 0.00 C ATOM 681 CG2 ILE A 46 3.954 -5.408 -6.320 1.00 0.00 C ATOM 682 CD1 ILE A 46 4.069 -2.882 -4.539 1.00 0.00 C ATOM 0 H ILE A 46 3.734 -5.930 -2.366 1.00 0.00 H new ATOM 0 HA ILE A 46 2.197 -6.648 -4.599 1.00 0.00 H new ATOM 0 HB ILE A 46 4.987 -5.429 -4.455 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.292 -4.052 -4.699 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.148 -4.247 -3.182 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.466 -4.516 -6.682 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.470 -6.296 -6.685 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.927 -5.410 -6.685 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.536 -2.024 -4.128 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.053 -2.954 -4.076 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.184 -2.756 -5.616 1.00 0.00 H new ATOM 694 N GLU A 47 4.950 -8.371 -4.112 1.00 0.00 N ATOM 695 CA GLU A 47 5.694 -9.552 -4.533 1.00 0.00 C ATOM 696 C GLU A 47 4.850 -10.813 -4.367 1.00 0.00 C ATOM 697 O GLU A 47 4.925 -11.734 -5.181 1.00 0.00 O ATOM 698 CB GLU A 47 6.988 -9.682 -3.727 1.00 0.00 C ATOM 699 CG GLU A 47 7.813 -10.904 -4.093 1.00 0.00 C ATOM 700 CD GLU A 47 7.881 -11.920 -2.970 1.00 0.00 C ATOM 701 OE1 GLU A 47 6.983 -12.785 -2.896 1.00 0.00 O ATOM 702 OE2 GLU A 47 8.833 -11.850 -2.164 1.00 0.00 O ATOM 0 H GLU A 47 5.285 -7.948 -3.246 1.00 0.00 H new ATOM 0 HA GLU A 47 5.942 -9.437 -5.588 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.592 -8.788 -3.879 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.742 -9.724 -2.666 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.385 -11.375 -4.978 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.823 -10.590 -4.356 1.00 0.00 H new ATOM 709 N ASP A 48 4.050 -10.847 -3.307 1.00 0.00 N ATOM 710 CA ASP A 48 3.191 -11.994 -3.034 1.00 0.00 C ATOM 711 C ASP A 48 2.163 -12.180 -4.145 1.00 0.00 C ATOM 712 O ASP A 48 1.705 -13.294 -4.400 1.00 0.00 O ATOM 713 CB ASP A 48 2.483 -11.818 -1.690 1.00 0.00 C ATOM 714 CG ASP A 48 3.194 -12.539 -0.562 1.00 0.00 C ATOM 715 OD1 ASP A 48 4.361 -12.195 -0.281 1.00 0.00 O ATOM 716 OD2 ASP A 48 2.584 -13.448 0.040 1.00 0.00 O ATOM 0 H ASP A 48 3.978 -10.094 -2.623 1.00 0.00 H new ATOM 0 HA ASP A 48 3.818 -12.885 -2.992 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.417 -10.756 -1.454 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.462 -12.191 -1.769 1.00 0.00 H new ATOM 721 N ALA A 49 1.803 -11.082 -4.801 1.00 0.00 N ATOM 722 CA ALA A 49 0.830 -11.125 -5.885 1.00 0.00 C ATOM 723 C ALA A 49 1.393 -11.854 -7.101 1.00 0.00 C ATOM 724 O ALA A 49 0.668 -12.551 -7.810 1.00 0.00 O ATOM 725 CB ALA A 49 0.401 -9.715 -6.265 1.00 0.00 C ATOM 0 H ALA A 49 2.171 -10.152 -4.601 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.042 -11.677 -5.535 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.326 -9.762 -7.076 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.050 -9.227 -5.401 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.271 -9.145 -6.590 1.00 0.00 H new ATOM 731 N GLY A 50 2.691 -11.688 -7.336 1.00 0.00 N ATOM 732 CA GLY A 50 3.328 -12.336 -8.467 1.00 0.00 C ATOM 733 C GLY A 50 2.891 -11.749 -9.794 1.00 0.00 C ATOM 734 O GLY A 50 2.774 -10.533 -9.933 1.00 0.00 O ATOM 0 H GLY A 50 3.312 -11.117 -6.763 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.410 -12.245 -8.372 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.095 -13.401 -8.450 1.00 0.00 H new ATOM 738 N ASN A 51 2.651 -12.616 -10.773 1.00 0.00 N ATOM 739 CA ASN A 51 2.227 -12.176 -12.097 1.00 0.00 C ATOM 740 C ASN A 51 0.846 -11.530 -12.038 1.00 0.00 C ATOM 741 O ASN A 51 0.520 -10.660 -12.847 1.00 0.00 O ATOM 742 CB ASN A 51 2.209 -13.357 -13.068 1.00 0.00 C ATOM 743 CG ASN A 51 3.603 -13.799 -13.467 1.00 0.00 C ATOM 744 OD1 ASN A 51 4.176 -14.705 -12.862 1.00 0.00 O ATOM 745 ND2 ASN A 51 4.157 -13.159 -14.491 1.00 0.00 N ATOM 0 H ASN A 51 2.743 -13.627 -10.674 1.00 0.00 H new ATOM 0 HA ASN A 51 2.941 -11.434 -12.453 1.00 0.00 H new ATOM 0 HB2 ASN A 51 1.683 -14.194 -12.608 1.00 0.00 H new ATOM 0 HB3 ASN A 51 1.649 -13.081 -13.961 1.00 0.00 H new ATOM 0 HD21 ASN A 51 5.094 -13.413 -14.805 1.00 0.00 H new ATOM 0 HD22 ASN A 51 3.645 -12.414 -14.964 1.00 0.00 H new ATOM 752 N LYS A 52 0.037 -11.960 -11.076 1.00 0.00 N ATOM 753 CA LYS A 52 -1.308 -11.424 -10.909 1.00 0.00 C ATOM 754 C LYS A 52 -1.261 -9.956 -10.496 1.00 0.00 C ATOM 755 O LYS A 52 -2.105 -9.160 -10.904 1.00 0.00 O ATOM 756 CB LYS A 52 -2.077 -12.235 -9.863 1.00 0.00 C ATOM 757 CG LYS A 52 -2.077 -13.730 -10.131 1.00 0.00 C ATOM 758 CD LYS A 52 -3.480 -14.308 -10.063 1.00 0.00 C ATOM 759 CE LYS A 52 -3.556 -15.667 -10.743 1.00 0.00 C ATOM 760 NZ LYS A 52 -3.667 -16.776 -9.755 1.00 0.00 N ATOM 0 H LYS A 52 0.290 -12.680 -10.399 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.823 -11.498 -11.867 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.642 -12.051 -8.881 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.107 -11.881 -9.827 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.650 -13.924 -11.115 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.440 -14.231 -9.402 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.785 -14.404 -9.021 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.181 -13.622 -10.539 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.415 -15.690 -11.413 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.668 -15.816 -11.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.716 -17.685 -10.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.835 -16.770 -9.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.528 -16.648 -9.185 1.00 0.00 H new ATOM 774 N GLY A 53 -0.268 -9.605 -9.685 1.00 0.00 N ATOM 775 CA GLY A 53 -0.129 -8.234 -9.232 1.00 0.00 C ATOM 776 C GLY A 53 -1.166 -7.859 -8.192 1.00 0.00 C ATOM 777 O GLY A 53 -2.166 -8.558 -8.023 1.00 0.00 O ATOM 0 H GLY A 53 0.443 -10.246 -9.334 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.868 -8.092 -8.814 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.216 -7.562 -10.086 1.00 0.00 H new ATOM 781 N ILE A 54 -0.927 -6.755 -7.492 1.00 0.00 N ATOM 782 CA ILE A 54 -1.848 -6.290 -6.462 1.00 0.00 C ATOM 783 C ILE A 54 -2.308 -4.862 -6.740 1.00 0.00 C ATOM 784 O ILE A 54 -1.501 -3.993 -7.068 1.00 0.00 O ATOM 785 CB ILE A 54 -1.205 -6.347 -5.064 1.00 0.00 C ATOM 786 CG1 ILE A 54 -2.245 -6.030 -3.987 1.00 0.00 C ATOM 787 CG2 ILE A 54 -0.034 -5.379 -4.980 1.00 0.00 C ATOM 788 CD1 ILE A 54 -2.268 -7.033 -2.856 1.00 0.00 C ATOM 0 H ILE A 54 -0.104 -6.166 -7.619 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.709 -6.958 -6.484 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.830 -7.356 -4.893 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.044 -5.039 -3.579 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.232 -5.991 -4.447 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.410 -5.431 -3.986 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.714 -5.647 -5.726 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.386 -4.365 -5.168 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.028 -6.745 -2.130 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.500 -8.022 -3.251 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.293 -7.056 -2.370 1.00 0.00 H new ATOM 800 N TRP A 55 -3.608 -4.629 -6.605 1.00 0.00 N ATOM 801 CA TRP A 55 -4.175 -3.306 -6.839 1.00 0.00 C ATOM 802 C TRP A 55 -3.794 -2.344 -5.720 1.00 0.00 C ATOM 803 O TRP A 55 -3.647 -2.746 -4.566 1.00 0.00 O ATOM 804 CB TRP A 55 -5.698 -3.394 -6.956 1.00 0.00 C ATOM 805 CG TRP A 55 -6.158 -4.334 -8.029 1.00 0.00 C ATOM 806 CD1 TRP A 55 -6.381 -5.676 -7.903 1.00 0.00 C ATOM 807 CD2 TRP A 55 -6.449 -4.003 -9.391 1.00 0.00 C ATOM 808 NE1 TRP A 55 -6.793 -6.198 -9.105 1.00 0.00 N ATOM 809 CE2 TRP A 55 -6.844 -5.193 -10.034 1.00 0.00 C ATOM 810 CE3 TRP A 55 -6.416 -2.817 -10.130 1.00 0.00 C ATOM 811 CZ2 TRP A 55 -7.201 -5.228 -11.379 1.00 0.00 C ATOM 812 CZ3 TRP A 55 -6.771 -2.854 -11.465 1.00 0.00 C ATOM 813 CH2 TRP A 55 -7.160 -4.053 -12.078 1.00 0.00 C ATOM 0 H TRP A 55 -4.289 -5.338 -6.335 1.00 0.00 H new ATOM 0 HA TRP A 55 -3.767 -2.924 -7.775 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -6.111 -3.716 -6.000 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -6.098 -2.400 -7.158 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -6.252 -6.243 -6.993 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -7.024 -7.176 -9.278 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -6.118 -1.888 -9.666 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -7.500 -6.151 -11.854 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -6.748 -1.944 -12.046 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -7.433 -4.049 -13.123 1.00 0.00 H new ATOM 824 N SER A 56 -3.634 -1.071 -6.068 1.00 0.00 N ATOM 825 CA SER A 56 -3.266 -0.052 -5.092 1.00 0.00 C ATOM 826 C SER A 56 -4.205 -0.086 -3.890 1.00 0.00 C ATOM 827 O SER A 56 -3.812 0.246 -2.772 1.00 0.00 O ATOM 828 CB SER A 56 -3.295 1.335 -5.736 1.00 0.00 C ATOM 829 OG SER A 56 -3.501 2.345 -4.764 1.00 0.00 O ATOM 0 H SER A 56 -3.753 -0.721 -7.019 1.00 0.00 H new ATOM 0 HA SER A 56 -2.254 -0.264 -4.747 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.356 1.516 -6.259 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.089 1.376 -6.482 1.00 0.00 H new ATOM 0 HG SER A 56 -3.514 3.222 -5.201 1.00 0.00 H new ATOM 835 N ARG A 57 -5.449 -0.490 -4.130 1.00 0.00 N ATOM 836 CA ARG A 57 -6.445 -0.567 -3.068 1.00 0.00 C ATOM 837 C ARG A 57 -6.171 -1.755 -2.151 1.00 0.00 C ATOM 838 O ARG A 57 -6.306 -1.654 -0.931 1.00 0.00 O ATOM 839 CB ARG A 57 -7.849 -0.683 -3.665 1.00 0.00 C ATOM 840 CG ARG A 57 -8.634 0.617 -3.632 1.00 0.00 C ATOM 841 CD ARG A 57 -10.118 0.378 -3.862 1.00 0.00 C ATOM 842 NE ARG A 57 -10.925 1.532 -3.474 1.00 0.00 N ATOM 843 CZ ARG A 57 -11.262 1.804 -2.219 1.00 0.00 C ATOM 844 NH1 ARG A 57 -10.862 1.011 -1.235 1.00 0.00 N ATOM 845 NH2 ARG A 57 -11.999 2.873 -1.945 1.00 0.00 N ATOM 0 H ARG A 57 -5.790 -0.769 -5.050 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.382 0.347 -2.478 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.769 -1.023 -4.698 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.404 -1.447 -3.120 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.488 1.107 -2.669 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.251 1.294 -4.395 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.290 0.153 -4.915 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.437 -0.495 -3.293 1.00 0.00 H new ATOM 0 HE ARG A 57 -11.247 2.163 -4.207 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.294 0.189 -1.441 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.122 1.222 -0.272 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.307 3.487 -2.699 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.257 3.081 -0.980 1.00 0.00 H new ATOM 859 N ASP A 58 -5.786 -2.879 -2.745 1.00 0.00 N ATOM 860 CA ASP A 58 -5.492 -4.086 -1.982 1.00 0.00 C ATOM 861 C ASP A 58 -4.238 -3.901 -1.133 1.00 0.00 C ATOM 862 O ASP A 58 -4.278 -4.035 0.090 1.00 0.00 O ATOM 863 CB ASP A 58 -5.316 -5.280 -2.922 1.00 0.00 C ATOM 864 CG ASP A 58 -6.638 -5.910 -3.312 1.00 0.00 C ATOM 865 OD1 ASP A 58 -7.613 -5.766 -2.545 1.00 0.00 O ATOM 866 OD2 ASP A 58 -6.698 -6.549 -4.384 1.00 0.00 O ATOM 0 H ASP A 58 -5.670 -2.979 -3.753 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.334 -4.279 -1.317 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.792 -4.956 -3.821 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.688 -6.029 -2.439 1.00 0.00 H new ATOM 871 N VAL A 59 -3.125 -3.593 -1.791 1.00 0.00 N ATOM 872 CA VAL A 59 -1.859 -3.389 -1.098 1.00 0.00 C ATOM 873 C VAL A 59 -1.998 -2.346 0.005 1.00 0.00 C ATOM 874 O VAL A 59 -1.266 -2.373 0.995 1.00 0.00 O ATOM 875 CB VAL A 59 -0.751 -2.946 -2.072 1.00 0.00 C ATOM 876 CG1 VAL A 59 -1.172 -1.694 -2.827 1.00 0.00 C ATOM 877 CG2 VAL A 59 0.553 -2.713 -1.324 1.00 0.00 C ATOM 0 H VAL A 59 -3.075 -3.479 -2.803 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.582 -4.346 -0.656 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.590 -3.743 -2.798 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.377 -1.396 -3.510 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.080 -1.899 -3.394 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.362 -0.888 -2.118 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.325 -2.401 -2.027 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.409 -1.935 -0.575 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.861 -3.636 -0.834 1.00 0.00 H new ATOM 887 N ARG A 60 -2.942 -1.428 -0.171 1.00 0.00 N ATOM 888 CA ARG A 60 -3.177 -0.376 0.809 1.00 0.00 C ATOM 889 C ARG A 60 -3.892 -0.928 2.039 1.00 0.00 C ATOM 890 O ARG A 60 -3.552 -0.587 3.172 1.00 0.00 O ATOM 891 CB ARG A 60 -4.004 0.753 0.189 1.00 0.00 C ATOM 892 CG ARG A 60 -4.262 1.911 1.139 1.00 0.00 C ATOM 893 CD ARG A 60 -5.531 2.663 0.768 1.00 0.00 C ATOM 894 NE ARG A 60 -6.734 1.904 1.099 1.00 0.00 N ATOM 895 CZ ARG A 60 -7.259 1.854 2.318 1.00 0.00 C ATOM 896 NH1 ARG A 60 -6.691 2.515 3.316 1.00 0.00 N ATOM 897 NH2 ARG A 60 -8.356 1.141 2.540 1.00 0.00 N ATOM 0 H ARG A 60 -3.557 -1.392 -0.984 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.210 0.019 1.119 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.487 1.127 -0.695 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -4.959 0.350 -0.147 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.345 1.535 2.159 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.414 2.595 1.120 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.551 3.620 1.290 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -5.523 2.882 -0.300 1.00 0.00 H new ATOM 0 HE ARG A 60 -7.196 1.384 0.353 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -5.848 3.064 3.149 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -7.097 2.474 4.251 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -8.796 0.631 1.774 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -8.759 1.103 3.476 1.00 0.00 H new ATOM 911 N TYR A 61 -4.884 -1.780 1.807 1.00 0.00 N ATOM 912 CA TYR A 61 -5.649 -2.377 2.896 1.00 0.00 C ATOM 913 C TYR A 61 -4.767 -3.286 3.747 1.00 0.00 C ATOM 914 O TYR A 61 -4.735 -3.170 4.972 1.00 0.00 O ATOM 915 CB TYR A 61 -6.832 -3.171 2.340 1.00 0.00 C ATOM 916 CG TYR A 61 -8.011 -3.241 3.284 1.00 0.00 C ATOM 917 CD1 TYR A 61 -8.552 -2.088 3.838 1.00 0.00 C ATOM 918 CD2 TYR A 61 -8.584 -4.461 3.621 1.00 0.00 C ATOM 919 CE1 TYR A 61 -9.629 -2.147 4.701 1.00 0.00 C ATOM 920 CE2 TYR A 61 -9.662 -4.530 4.483 1.00 0.00 C ATOM 921 CZ TYR A 61 -10.180 -3.371 5.021 1.00 0.00 C ATOM 922 OH TYR A 61 -11.254 -3.434 5.879 1.00 0.00 O ATOM 0 H TYR A 61 -5.178 -2.073 0.875 1.00 0.00 H new ATOM 0 HA TYR A 61 -6.025 -1.571 3.527 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -7.154 -2.718 1.402 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.502 -4.184 2.108 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -8.123 -1.128 3.590 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -8.180 -5.371 3.202 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -10.037 -1.241 5.123 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -10.096 -5.486 4.734 1.00 0.00 H new ATOM 0 HH TYR A 61 -11.522 -4.369 5.999 1.00 0.00 H new ATOM 932 N LYS A 62 -4.051 -4.191 3.088 1.00 0.00 N ATOM 933 CA LYS A 62 -3.167 -5.120 3.781 1.00 0.00 C ATOM 934 C LYS A 62 -2.046 -4.373 4.497 1.00 0.00 C ATOM 935 O LYS A 62 -1.575 -4.802 5.550 1.00 0.00 O ATOM 936 CB LYS A 62 -2.573 -6.125 2.791 1.00 0.00 C ATOM 937 CG LYS A 62 -3.601 -7.069 2.192 1.00 0.00 C ATOM 938 CD LYS A 62 -2.961 -8.363 1.719 1.00 0.00 C ATOM 939 CE LYS A 62 -3.655 -8.908 0.480 1.00 0.00 C ATOM 940 NZ LYS A 62 -4.744 -9.862 0.829 1.00 0.00 N ATOM 0 H LYS A 62 -4.066 -4.301 2.074 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.756 -5.656 4.525 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.079 -5.581 1.986 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.806 -6.711 3.297 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.368 -7.291 2.934 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -4.100 -6.581 1.354 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.907 -8.190 1.501 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.004 -9.104 2.517 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.068 -8.081 -0.098 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.924 -9.408 -0.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.192 -10.211 -0.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.347 -10.664 1.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -5.455 -9.378 1.414 1.00 0.00 H new ATOM 954 N SER A 63 -1.625 -3.252 3.919 1.00 0.00 N ATOM 955 CA SER A 63 -0.558 -2.446 4.502 1.00 0.00 C ATOM 956 C SER A 63 -1.093 -1.573 5.633 1.00 0.00 C ATOM 957 O SER A 63 -0.346 -1.161 6.519 1.00 0.00 O ATOM 958 CB SER A 63 0.091 -1.570 3.429 1.00 0.00 C ATOM 959 OG SER A 63 1.243 -0.916 3.933 1.00 0.00 O ATOM 0 H SER A 63 -2.006 -2.882 3.048 1.00 0.00 H new ATOM 0 HA SER A 63 0.192 -3.122 4.912 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.364 -2.183 2.570 1.00 0.00 H new ATOM 0 HB3 SER A 63 -0.627 -0.829 3.077 1.00 0.00 H new ATOM 0 HG SER A 63 1.884 -0.775 3.205 1.00 0.00 H new ATOM 965 N ASN A 64 -2.392 -1.294 5.593 1.00 0.00 N ATOM 966 CA ASN A 64 -3.028 -0.469 6.614 1.00 0.00 C ATOM 967 C ASN A 64 -2.459 0.946 6.602 1.00 0.00 C ATOM 968 O ASN A 64 -2.381 1.605 7.639 1.00 0.00 O ATOM 969 CB ASN A 64 -2.837 -1.095 7.997 1.00 0.00 C ATOM 970 CG ASN A 64 -4.117 -1.103 8.810 1.00 0.00 C ATOM 971 OD1 ASN A 64 -5.166 -1.537 8.333 1.00 0.00 O ATOM 972 ND2 ASN A 64 -4.037 -0.620 10.044 1.00 0.00 N ATOM 0 H ASN A 64 -3.024 -1.627 4.865 1.00 0.00 H new ATOM 0 HA ASN A 64 -4.093 -0.415 6.390 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.476 -2.117 7.883 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -2.069 -0.544 8.539 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.866 -0.598 10.638 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.147 -0.271 10.398 1.00 0.00 H new ATOM 979 N LEU A 65 -2.063 1.408 5.421 1.00 0.00 N ATOM 980 CA LEU A 65 -1.502 2.746 5.272 1.00 0.00 C ATOM 981 C LEU A 65 -2.424 3.635 4.443 1.00 0.00 C ATOM 982 O LEU A 65 -3.065 3.189 3.491 1.00 0.00 O ATOM 983 CB LEU A 65 -0.122 2.672 4.616 1.00 0.00 C ATOM 984 CG LEU A 65 0.902 1.770 5.306 1.00 0.00 C ATOM 985 CD1 LEU A 65 2.209 1.753 4.529 1.00 0.00 C ATOM 986 CD2 LEU A 65 1.137 2.229 6.738 1.00 0.00 C ATOM 0 H LEU A 65 -2.120 0.876 4.553 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.403 3.183 6.265 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.248 2.326 3.590 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.288 3.681 4.565 1.00 0.00 H new ATOM 0 HG LEU A 65 0.505 0.755 5.331 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.925 1.106 5.036 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.029 1.377 3.522 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.611 2.764 4.472 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.868 1.576 7.214 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.512 3.252 6.735 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.199 2.188 7.292 1.00 0.00 H new ATOM 998 N PRO A 66 -2.493 4.923 4.810 1.00 0.00 N ATOM 999 CA PRO A 66 -3.331 5.902 4.112 1.00 0.00 C ATOM 1000 C PRO A 66 -2.806 6.226 2.718 1.00 0.00 C ATOM 1001 O PRO A 66 -1.615 6.072 2.440 1.00 0.00 O ATOM 1002 CB PRO A 66 -3.258 7.138 5.012 1.00 0.00 C ATOM 1003 CG PRO A 66 -1.966 7.000 5.741 1.00 0.00 C ATOM 1004 CD PRO A 66 -1.756 5.523 5.935 1.00 0.00 C ATOM 0 HA PRO A 66 -4.344 5.532 3.955 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.286 8.057 4.426 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -4.100 7.175 5.703 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.147 7.439 5.171 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.001 7.518 6.699 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.698 5.261 5.908 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.144 5.185 6.896 1.00 0.00 H new ATOM 1012 N LEU A 67 -3.699 6.675 1.843 1.00 0.00 N ATOM 1013 CA LEU A 67 -3.325 7.021 0.477 1.00 0.00 C ATOM 1014 C LEU A 67 -2.169 8.016 0.464 1.00 0.00 C ATOM 1015 O LEU A 67 -1.377 8.054 -0.479 1.00 0.00 O ATOM 1016 CB LEU A 67 -4.525 7.608 -0.269 1.00 0.00 C ATOM 1017 CG LEU A 67 -5.234 8.777 0.416 1.00 0.00 C ATOM 1018 CD1 LEU A 67 -4.825 10.096 -0.220 1.00 0.00 C ATOM 1019 CD2 LEU A 67 -6.744 8.597 0.351 1.00 0.00 C ATOM 0 H LEU A 67 -4.688 6.808 2.056 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.002 6.110 -0.026 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.190 7.938 -1.252 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.252 6.812 -0.430 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.935 8.794 1.464 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.340 10.916 0.280 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.748 10.229 -0.121 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.094 10.090 -1.276 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.232 9.438 0.843 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.061 8.553 -0.691 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.022 7.671 0.854 1.00 0.00 H new ATOM 1031 N THR A 68 -2.074 8.819 1.519 1.00 0.00 N ATOM 1032 CA THR A 68 -1.014 9.814 1.630 1.00 0.00 C ATOM 1033 C THR A 68 0.354 9.149 1.733 1.00 0.00 C ATOM 1034 O THR A 68 1.359 9.707 1.294 1.00 0.00 O ATOM 1035 CB THR A 68 -1.224 10.724 2.855 1.00 0.00 C ATOM 1036 OG1 THR A 68 -2.563 11.231 2.865 1.00 0.00 O ATOM 1037 CG2 THR A 68 -0.237 11.881 2.845 1.00 0.00 C ATOM 0 H THR A 68 -2.719 8.800 2.309 1.00 0.00 H new ATOM 0 HA THR A 68 -1.053 10.421 0.725 1.00 0.00 H new ATOM 0 HB THR A 68 -1.055 10.131 3.754 1.00 0.00 H new ATOM 0 HG1 THR A 68 -2.689 11.807 3.648 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.405 12.510 3.719 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.781 11.491 2.868 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.379 12.472 1.940 1.00 0.00 H new ATOM 1045 N GLU A 69 0.384 7.955 2.316 1.00 0.00 N ATOM 1046 CA GLU A 69 1.631 7.215 2.476 1.00 0.00 C ATOM 1047 C GLU A 69 1.907 6.343 1.255 1.00 0.00 C ATOM 1048 O GLU A 69 2.952 6.466 0.615 1.00 0.00 O ATOM 1049 CB GLU A 69 1.577 6.347 3.735 1.00 0.00 C ATOM 1050 CG GLU A 69 2.099 7.045 4.979 1.00 0.00 C ATOM 1051 CD GLU A 69 3.542 6.694 5.283 1.00 0.00 C ATOM 1052 OE1 GLU A 69 4.399 6.891 4.396 1.00 0.00 O ATOM 1053 OE2 GLU A 69 3.815 6.222 6.406 1.00 0.00 O ATOM 0 H GLU A 69 -0.440 7.480 2.685 1.00 0.00 H new ATOM 0 HA GLU A 69 2.442 7.937 2.576 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.546 6.037 3.908 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.159 5.441 3.566 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.011 8.124 4.850 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.476 6.774 5.831 1.00 0.00 H new ATOM 1060 N ILE A 70 0.963 5.463 0.938 1.00 0.00 N ATOM 1061 CA ILE A 70 1.104 4.571 -0.206 1.00 0.00 C ATOM 1062 C ILE A 70 1.453 5.349 -1.470 1.00 0.00 C ATOM 1063 O ILE A 70 2.157 4.847 -2.345 1.00 0.00 O ATOM 1064 CB ILE A 70 -0.185 3.765 -0.453 1.00 0.00 C ATOM 1065 CG1 ILE A 70 -0.540 2.938 0.784 1.00 0.00 C ATOM 1066 CG2 ILE A 70 -0.022 2.865 -1.669 1.00 0.00 C ATOM 1067 CD1 ILE A 70 0.484 1.876 1.116 1.00 0.00 C ATOM 0 H ILE A 70 0.093 5.349 1.457 1.00 0.00 H new ATOM 0 HA ILE A 70 1.915 3.882 0.029 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.000 4.462 -0.647 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.649 3.606 1.638 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.508 2.461 0.627 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.941 2.302 -1.831 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.189 3.475 -2.547 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.803 2.173 -1.501 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.167 1.329 2.004 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.576 1.185 0.278 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.448 2.347 1.306 1.00 0.00 H new ATOM 1079 N ASN A 71 0.958 6.579 -1.557 1.00 0.00 N ATOM 1080 CA ASN A 71 1.219 7.428 -2.713 1.00 0.00 C ATOM 1081 C ASN A 71 2.717 7.641 -2.905 1.00 0.00 C ATOM 1082 O ASN A 71 3.226 7.585 -4.025 1.00 0.00 O ATOM 1083 CB ASN A 71 0.518 8.779 -2.550 1.00 0.00 C ATOM 1084 CG ASN A 71 -0.880 8.779 -3.137 1.00 0.00 C ATOM 1085 OD1 ASN A 71 -1.280 7.834 -3.818 1.00 0.00 O ATOM 1086 ND2 ASN A 71 -1.631 9.842 -2.876 1.00 0.00 N ATOM 0 H ASN A 71 0.374 7.010 -0.841 1.00 0.00 H new ATOM 0 HA ASN A 71 0.825 6.926 -3.596 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.465 9.032 -1.491 1.00 0.00 H new ATOM 0 HB3 ASN A 71 1.112 9.554 -3.034 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.580 9.899 -3.245 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.259 10.602 -2.307 1.00 0.00 H new ATOM 1093 N LYS A 72 3.420 7.884 -1.804 1.00 0.00 N ATOM 1094 CA LYS A 72 4.861 8.103 -1.848 1.00 0.00 C ATOM 1095 C LYS A 72 5.610 6.779 -1.955 1.00 0.00 C ATOM 1096 O LYS A 72 6.640 6.690 -2.624 1.00 0.00 O ATOM 1097 CB LYS A 72 5.321 8.862 -0.601 1.00 0.00 C ATOM 1098 CG LYS A 72 6.831 8.974 -0.480 1.00 0.00 C ATOM 1099 CD LYS A 72 7.234 9.769 0.751 1.00 0.00 C ATOM 1100 CE LYS A 72 6.714 11.197 0.687 1.00 0.00 C ATOM 1101 NZ LYS A 72 7.282 12.043 1.772 1.00 0.00 N ATOM 0 H LYS A 72 3.015 7.934 -0.869 1.00 0.00 H new ATOM 0 HA LYS A 72 5.085 8.699 -2.732 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.891 9.863 -0.616 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.930 8.360 0.284 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.268 7.977 -0.429 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.234 9.454 -1.372 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.847 9.279 1.645 1.00 0.00 H new ATOM 0 HD3 LYS A 72 8.320 9.780 0.839 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.964 11.631 -0.281 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.627 11.191 0.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.903 13.008 1.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.022 11.643 2.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.318 12.070 1.685 1.00 0.00 H new ATOM 1115 N ILE A 73 5.085 5.752 -1.294 1.00 0.00 N ATOM 1116 CA ILE A 73 5.703 4.433 -1.318 1.00 0.00 C ATOM 1117 C ILE A 73 5.677 3.839 -2.722 1.00 0.00 C ATOM 1118 O ILE A 73 6.721 3.522 -3.294 1.00 0.00 O ATOM 1119 CB ILE A 73 5.000 3.464 -0.350 1.00 0.00 C ATOM 1120 CG1 ILE A 73 5.026 4.023 1.074 1.00 0.00 C ATOM 1121 CG2 ILE A 73 5.659 2.094 -0.399 1.00 0.00 C ATOM 1122 CD1 ILE A 73 4.068 3.325 2.015 1.00 0.00 C ATOM 0 H ILE A 73 4.233 5.809 -0.736 1.00 0.00 H new ATOM 0 HA ILE A 73 6.737 4.564 -1.000 1.00 0.00 H new ATOM 0 HB ILE A 73 3.960 3.356 -0.659 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.038 3.939 1.470 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.783 5.085 1.043 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.150 1.421 0.291 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.593 1.694 -1.411 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.707 2.184 -0.112 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.140 3.773 3.006 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.049 3.431 1.642 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.324 2.267 2.076 1.00 0.00 H new ATOM 1134 N LEU A 74 4.478 3.692 -3.274 1.00 0.00 N ATOM 1135 CA LEU A 74 4.314 3.137 -4.613 1.00 0.00 C ATOM 1136 C LEU A 74 5.159 3.903 -5.627 1.00 0.00 C ATOM 1137 O LEU A 74 5.615 3.341 -6.623 1.00 0.00 O ATOM 1138 CB LEU A 74 2.842 3.176 -5.027 1.00 0.00 C ATOM 1139 CG LEU A 74 1.961 2.054 -4.476 1.00 0.00 C ATOM 1140 CD1 LEU A 74 0.508 2.274 -4.869 1.00 0.00 C ATOM 1141 CD2 LEU A 74 2.450 0.700 -4.970 1.00 0.00 C ATOM 0 H LEU A 74 3.604 3.950 -2.815 1.00 0.00 H new ATOM 0 HA LEU A 74 4.652 2.101 -4.593 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.421 4.130 -4.710 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.790 3.150 -6.115 1.00 0.00 H new ATOM 0 HG LEU A 74 2.028 2.067 -3.388 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.104 1.466 -4.468 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.162 3.226 -4.465 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.423 2.289 -5.956 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.811 -0.086 -4.568 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.414 0.675 -6.059 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.476 0.540 -4.637 1.00 0.00 H new ATOM 1153 N LYS A 75 5.366 5.189 -5.365 1.00 0.00 N ATOM 1154 CA LYS A 75 6.158 6.033 -6.251 1.00 0.00 C ATOM 1155 C LYS A 75 7.648 5.878 -5.961 1.00 0.00 C ATOM 1156 O LYS A 75 8.485 6.083 -6.839 1.00 0.00 O ATOM 1157 CB LYS A 75 5.748 7.499 -6.095 1.00 0.00 C ATOM 1158 CG LYS A 75 6.612 8.461 -6.891 1.00 0.00 C ATOM 1159 CD LYS A 75 7.780 8.975 -6.066 1.00 0.00 C ATOM 1160 CE LYS A 75 7.771 10.493 -5.972 1.00 0.00 C ATOM 1161 NZ LYS A 75 6.800 10.979 -4.952 1.00 0.00 N ATOM 0 H LYS A 75 4.996 5.670 -4.545 1.00 0.00 H new ATOM 0 HA LYS A 75 5.970 5.717 -7.277 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.710 7.612 -6.408 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.794 7.770 -5.040 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.988 7.961 -7.783 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.006 9.302 -7.229 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.735 8.547 -5.064 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.717 8.643 -6.513 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.771 10.847 -5.720 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.519 10.916 -6.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.823 12.018 -4.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.842 10.662 -5.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.055 10.596 -4.019 1.00 0.00 H new ATOM 1175 N ASN A 76 7.971 5.514 -4.724 1.00 0.00 N ATOM 1176 CA ASN A 76 9.360 5.331 -4.320 1.00 0.00 C ATOM 1177 C ASN A 76 9.980 4.131 -5.031 1.00 0.00 C ATOM 1178 O ASN A 76 10.952 4.271 -5.774 1.00 0.00 O ATOM 1179 CB ASN A 76 9.451 5.142 -2.804 1.00 0.00 C ATOM 1180 CG ASN A 76 10.465 6.072 -2.166 1.00 0.00 C ATOM 1181 OD1 ASN A 76 11.601 6.180 -2.627 1.00 0.00 O ATOM 1182 ND2 ASN A 76 10.058 6.748 -1.098 1.00 0.00 N ATOM 0 H ASN A 76 7.290 5.340 -3.985 1.00 0.00 H new ATOM 0 HA ASN A 76 9.915 6.225 -4.602 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.471 5.317 -2.359 1.00 0.00 H new ATOM 0 HB3 ASN A 76 9.721 4.109 -2.585 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.697 7.388 -0.626 1.00 0.00 H new ATOM 0 HD22 ASN A 76 9.107 6.627 -0.750 1.00 0.00 H new ATOM 1189 N LEU A 77 9.411 2.954 -4.798 1.00 0.00 N ATOM 1190 CA LEU A 77 9.906 1.729 -5.416 1.00 0.00 C ATOM 1191 C LEU A 77 10.028 1.893 -6.928 1.00 0.00 C ATOM 1192 O LEU A 77 10.952 1.365 -7.546 1.00 0.00 O ATOM 1193 CB LEU A 77 8.976 0.559 -5.093 1.00 0.00 C ATOM 1194 CG LEU A 77 9.215 -0.138 -3.752 1.00 0.00 C ATOM 1195 CD1 LEU A 77 8.011 -0.985 -3.369 1.00 0.00 C ATOM 1196 CD2 LEU A 77 10.473 -0.991 -3.812 1.00 0.00 C ATOM 0 H LEU A 77 8.606 2.822 -4.185 1.00 0.00 H new ATOM 0 HA LEU A 77 10.896 1.521 -5.010 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.948 0.921 -5.113 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.068 -0.182 -5.887 1.00 0.00 H new ATOM 0 HG LEU A 77 9.354 0.625 -2.986 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.199 -1.473 -2.413 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.130 -0.348 -3.285 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.840 -1.741 -4.135 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.628 -1.479 -2.850 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.363 -1.747 -4.589 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.331 -0.358 -4.040 1.00 0.00 H new ATOM 1208 N GLU A 78 9.092 2.631 -7.516 1.00 0.00 N ATOM 1209 CA GLU A 78 9.096 2.866 -8.955 1.00 0.00 C ATOM 1210 C GLU A 78 10.409 3.506 -9.397 1.00 0.00 C ATOM 1211 O GLU A 78 11.122 2.966 -10.242 1.00 0.00 O ATOM 1212 CB GLU A 78 7.920 3.760 -9.352 1.00 0.00 C ATOM 1213 CG GLU A 78 7.238 3.331 -10.641 1.00 0.00 C ATOM 1214 CD GLU A 78 7.921 3.888 -11.875 1.00 0.00 C ATOM 1215 OE1 GLU A 78 8.229 5.097 -11.889 1.00 0.00 O ATOM 1216 OE2 GLU A 78 8.147 3.112 -12.827 1.00 0.00 O ATOM 0 H GLU A 78 8.321 3.076 -7.018 1.00 0.00 H new ATOM 0 HA GLU A 78 8.994 1.903 -9.455 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.187 3.761 -8.546 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.274 4.785 -9.462 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.226 2.242 -10.697 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.199 3.661 -10.625 1.00 0.00 H new ATOM 1223 N SER A 79 10.720 4.663 -8.820 1.00 0.00 N ATOM 1224 CA SER A 79 11.944 5.380 -9.157 1.00 0.00 C ATOM 1225 C SER A 79 13.170 4.502 -8.927 1.00 0.00 C ATOM 1226 O SER A 79 14.151 4.578 -9.666 1.00 0.00 O ATOM 1227 CB SER A 79 12.055 6.660 -8.326 1.00 0.00 C ATOM 1228 OG SER A 79 12.330 7.780 -9.149 1.00 0.00 O ATOM 0 H SER A 79 10.141 5.123 -8.117 1.00 0.00 H new ATOM 0 HA SER A 79 11.902 5.644 -10.214 1.00 0.00 H new ATOM 0 HB2 SER A 79 11.126 6.825 -7.781 1.00 0.00 H new ATOM 0 HB3 SER A 79 12.845 6.548 -7.583 1.00 0.00 H new ATOM 0 HG SER A 79 12.394 8.585 -8.594 1.00 0.00 H new ATOM 1234 N LYS A 80 13.106 3.667 -7.895 1.00 0.00 N ATOM 1235 CA LYS A 80 14.209 2.772 -7.565 1.00 0.00 C ATOM 1236 C LYS A 80 14.371 1.693 -8.631 1.00 0.00 C ATOM 1237 O LYS A 80 15.376 0.983 -8.662 1.00 0.00 O ATOM 1238 CB LYS A 80 13.974 2.123 -6.199 1.00 0.00 C ATOM 1239 CG LYS A 80 13.545 3.106 -5.124 1.00 0.00 C ATOM 1240 CD LYS A 80 14.440 3.018 -3.899 1.00 0.00 C ATOM 1241 CE LYS A 80 13.645 3.196 -2.614 1.00 0.00 C ATOM 1242 NZ LYS A 80 13.811 4.561 -2.043 1.00 0.00 N ATOM 0 H LYS A 80 12.301 3.592 -7.273 1.00 0.00 H new ATOM 0 HA LYS A 80 15.125 3.362 -7.528 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.211 1.351 -6.299 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.890 1.626 -5.880 1.00 0.00 H new ATOM 0 HG2 LYS A 80 13.573 4.119 -5.524 1.00 0.00 H new ATOM 0 HG3 LYS A 80 12.513 2.905 -4.837 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.945 2.052 -3.885 1.00 0.00 H new ATOM 0 HD3 LYS A 80 15.215 3.782 -3.958 1.00 0.00 H new ATOM 0 HE2 LYS A 80 12.589 3.011 -2.812 1.00 0.00 H new ATOM 0 HE3 LYS A 80 13.967 2.455 -1.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 13.821 4.504 -1.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 14.708 4.970 -2.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 13.021 5.164 -2.349 1.00 0.00 H new ATOM 1256 N LYS A 81 13.377 1.577 -9.505 1.00 0.00 N ATOM 1257 CA LYS A 81 13.410 0.587 -10.575 1.00 0.00 C ATOM 1258 C LYS A 81 13.415 -0.828 -10.007 1.00 0.00 C ATOM 1259 O LYS A 81 14.029 -1.734 -10.574 1.00 0.00 O ATOM 1260 CB LYS A 81 14.644 0.799 -11.456 1.00 0.00 C ATOM 1261 CG LYS A 81 14.501 0.219 -12.852 1.00 0.00 C ATOM 1262 CD LYS A 81 15.830 0.206 -13.589 1.00 0.00 C ATOM 1263 CE LYS A 81 16.340 -1.212 -13.795 1.00 0.00 C ATOM 1264 NZ LYS A 81 17.329 -1.290 -14.905 1.00 0.00 N ATOM 0 H LYS A 81 12.538 2.157 -9.493 1.00 0.00 H new ATOM 0 HA LYS A 81 12.513 0.713 -11.181 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.845 1.867 -11.534 1.00 0.00 H new ATOM 0 HB3 LYS A 81 15.509 0.347 -10.971 1.00 0.00 H new ATOM 0 HG2 LYS A 81 14.110 -0.796 -12.787 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.776 0.804 -13.418 1.00 0.00 H new ATOM 0 HD2 LYS A 81 15.716 0.697 -14.556 1.00 0.00 H new ATOM 0 HD3 LYS A 81 16.565 0.780 -13.025 1.00 0.00 H new ATOM 0 HE2 LYS A 81 16.799 -1.570 -12.874 1.00 0.00 H new ATOM 0 HE3 LYS A 81 15.500 -1.872 -14.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 17.652 -2.272 -15.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 16.884 -0.972 -15.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 18.143 -0.680 -14.688 1.00 0.00 H new ATOM 1278 N LEU A 82 12.728 -1.013 -8.885 1.00 0.00 N ATOM 1279 CA LEU A 82 12.652 -2.320 -8.241 1.00 0.00 C ATOM 1280 C LEU A 82 11.352 -3.031 -8.604 1.00 0.00 C ATOM 1281 O LEU A 82 11.281 -4.260 -8.589 1.00 0.00 O ATOM 1282 CB LEU A 82 12.757 -2.169 -6.723 1.00 0.00 C ATOM 1283 CG LEU A 82 14.123 -1.745 -6.183 1.00 0.00 C ATOM 1284 CD1 LEU A 82 14.032 -1.408 -4.703 1.00 0.00 C ATOM 1285 CD2 LEU A 82 15.153 -2.840 -6.420 1.00 0.00 C ATOM 0 H LEU A 82 12.216 -0.275 -8.402 1.00 0.00 H new ATOM 0 HA LEU A 82 13.487 -2.923 -8.599 1.00 0.00 H new ATOM 0 HB2 LEU A 82 12.017 -1.437 -6.399 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.486 -3.120 -6.264 1.00 0.00 H new ATOM 0 HG LEU A 82 14.442 -0.851 -6.719 1.00 0.00 H new ATOM 0 HD11 LEU A 82 15.014 -1.109 -4.337 1.00 0.00 H new ATOM 0 HD12 LEU A 82 13.326 -0.590 -4.559 1.00 0.00 H new ATOM 0 HD13 LEU A 82 13.690 -2.284 -4.151 1.00 0.00 H new ATOM 0 HD21 LEU A 82 16.119 -2.521 -6.029 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.839 -3.751 -5.911 1.00 0.00 H new ATOM 0 HD23 LEU A 82 15.240 -3.033 -7.489 1.00 0.00 H new ATOM 1297 N ILE A 83 10.328 -2.251 -8.932 1.00 0.00 N ATOM 1298 CA ILE A 83 9.032 -2.806 -9.302 1.00 0.00 C ATOM 1299 C ILE A 83 8.596 -2.314 -10.678 1.00 0.00 C ATOM 1300 O ILE A 83 9.269 -1.490 -11.297 1.00 0.00 O ATOM 1301 CB ILE A 83 7.948 -2.441 -8.271 1.00 0.00 C ATOM 1302 CG1 ILE A 83 7.824 -0.921 -8.146 1.00 0.00 C ATOM 1303 CG2 ILE A 83 8.269 -3.065 -6.921 1.00 0.00 C ATOM 1304 CD1 ILE A 83 6.764 -0.481 -7.160 1.00 0.00 C ATOM 0 H ILE A 83 10.371 -1.232 -8.949 1.00 0.00 H new ATOM 0 HA ILE A 83 9.148 -3.890 -9.326 1.00 0.00 H new ATOM 0 HB ILE A 83 6.992 -2.838 -8.614 1.00 0.00 H new ATOM 0 HG12 ILE A 83 8.786 -0.510 -7.841 1.00 0.00 H new ATOM 0 HG13 ILE A 83 7.594 -0.501 -9.125 1.00 0.00 H new ATOM 0 HG21 ILE A 83 7.494 -2.798 -6.203 1.00 0.00 H new ATOM 0 HG22 ILE A 83 8.312 -4.149 -7.022 1.00 0.00 H new ATOM 0 HG23 ILE A 83 9.232 -2.695 -6.569 1.00 0.00 H new ATOM 0 HD11 ILE A 83 6.731 0.608 -7.123 1.00 0.00 H new ATOM 0 HD12 ILE A 83 5.793 -0.862 -7.475 1.00 0.00 H new ATOM 0 HD13 ILE A 83 7.003 -0.871 -6.171 1.00 0.00 H new ATOM 1316 N LYS A 84 7.464 -2.825 -11.151 1.00 0.00 N ATOM 1317 CA LYS A 84 6.934 -2.436 -12.453 1.00 0.00 C ATOM 1318 C LYS A 84 5.425 -2.228 -12.386 1.00 0.00 C ATOM 1319 O LYS A 84 4.677 -3.147 -12.052 1.00 0.00 O ATOM 1320 CB LYS A 84 7.267 -3.501 -13.500 1.00 0.00 C ATOM 1321 CG LYS A 84 6.721 -4.877 -13.164 1.00 0.00 C ATOM 1322 CD LYS A 84 7.375 -5.959 -14.008 1.00 0.00 C ATOM 1323 CE LYS A 84 6.696 -7.306 -13.811 1.00 0.00 C ATOM 1324 NZ LYS A 84 7.554 -8.432 -14.273 1.00 0.00 N ATOM 0 H LYS A 84 6.896 -3.510 -10.652 1.00 0.00 H new ATOM 0 HA LYS A 84 7.400 -1.494 -12.741 1.00 0.00 H new ATOM 0 HB2 LYS A 84 6.868 -3.187 -14.465 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.350 -3.566 -13.608 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.888 -5.088 -12.108 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.643 -4.891 -13.325 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.330 -5.678 -15.060 1.00 0.00 H new ATOM 0 HD3 LYS A 84 8.430 -6.040 -13.744 1.00 0.00 H new ATOM 0 HE2 LYS A 84 6.456 -7.441 -12.756 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.753 -7.321 -14.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 7.056 -9.332 -14.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 7.762 -8.317 -15.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 8.444 -8.434 -13.735 1.00 0.00 H new ATOM 1338 N ALA A 85 4.984 -1.016 -12.707 1.00 0.00 N ATOM 1339 CA ALA A 85 3.564 -0.690 -12.686 1.00 0.00 C ATOM 1340 C ALA A 85 2.855 -1.245 -13.917 1.00 0.00 C ATOM 1341 O ALA A 85 3.403 -1.235 -15.019 1.00 0.00 O ATOM 1342 CB ALA A 85 3.370 0.817 -12.598 1.00 0.00 C ATOM 0 H ALA A 85 5.590 -0.244 -12.985 1.00 0.00 H new ATOM 0 HA ALA A 85 3.123 -1.155 -11.804 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.305 1.046 -12.583 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.834 1.191 -11.686 1.00 0.00 H new ATOM 0 HB3 ALA A 85 3.832 1.294 -13.462 1.00 0.00 H new ATOM 1348 N VAL A 86 1.633 -1.730 -13.722 1.00 0.00 N ATOM 1349 CA VAL A 86 0.849 -2.290 -14.816 1.00 0.00 C ATOM 1350 C VAL A 86 -0.557 -1.700 -14.843 1.00 0.00 C ATOM 1351 O VAL A 86 -1.339 -1.888 -13.911 1.00 0.00 O ATOM 1352 CB VAL A 86 0.748 -3.823 -14.708 1.00 0.00 C ATOM 1353 CG1 VAL A 86 2.059 -4.475 -15.120 1.00 0.00 C ATOM 1354 CG2 VAL A 86 0.361 -4.233 -13.295 1.00 0.00 C ATOM 0 H VAL A 86 1.164 -1.746 -12.816 1.00 0.00 H new ATOM 0 HA VAL A 86 1.367 -2.032 -15.740 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.031 -4.167 -15.388 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.969 -5.558 -15.037 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.290 -4.208 -16.151 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.859 -4.127 -14.467 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.294 -5.319 -13.237 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.116 -3.878 -12.593 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.605 -3.796 -13.041 1.00 0.00 H new ATOM 1364 N LYS A 87 -0.873 -0.986 -15.918 1.00 0.00 N ATOM 1365 CA LYS A 87 -2.185 -0.370 -16.069 1.00 0.00 C ATOM 1366 C LYS A 87 -3.222 -1.397 -16.512 1.00 0.00 C ATOM 1367 O LYS A 87 -2.915 -2.312 -17.277 1.00 0.00 O ATOM 1368 CB LYS A 87 -2.120 0.775 -17.083 1.00 0.00 C ATOM 1369 CG LYS A 87 -1.885 0.310 -18.510 1.00 0.00 C ATOM 1370 CD LYS A 87 -1.659 1.484 -19.449 1.00 0.00 C ATOM 1371 CE LYS A 87 -2.916 1.814 -20.240 1.00 0.00 C ATOM 1372 NZ LYS A 87 -2.867 1.254 -21.619 1.00 0.00 N ATOM 0 H LYS A 87 -0.237 -0.820 -16.698 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.485 0.027 -15.099 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -3.052 1.339 -17.042 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.321 1.459 -16.796 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.020 -0.353 -18.540 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.743 -0.270 -18.851 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -1.350 2.357 -18.874 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -0.846 1.250 -20.136 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -3.788 1.419 -19.718 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -3.039 2.896 -20.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -3.741 1.501 -22.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -2.050 1.650 -22.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -2.775 0.219 -21.570 1.00 0.00 H new