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 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 -11:sc= 0.0508 USER MOD Single : A 44 GLN : amide:sc= -0.279 X(o=-0.28,f=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.11) 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+ 169:sc= 0 (180deg=-0.0698) USER MOD Single : A 63 SER OG : rot 86:sc= 0.272 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.682 K(o=-0.68,f=-2.2) 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 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=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 -5.648 0.938 -9.850 1.00 0.00 N ATOM 230 CA LEU A 19 -4.539 0.531 -10.705 1.00 0.00 C ATOM 231 C LEU A 19 -3.860 -0.720 -10.159 1.00 0.00 C ATOM 232 O LEU A 19 -3.925 -1.003 -8.962 1.00 0.00 O ATOM 233 CB LEU A 19 -3.521 1.666 -10.827 1.00 0.00 C ATOM 234 CG LEU A 19 -3.639 2.544 -12.074 1.00 0.00 C ATOM 235 CD1 LEU A 19 -3.633 4.016 -11.693 1.00 0.00 C ATOM 236 CD2 LEU A 19 -2.513 2.239 -13.050 1.00 0.00 C ATOM 0 HA LEU A 19 -4.939 0.302 -11.693 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.612 2.304 -9.948 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.521 1.234 -10.805 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.587 2.321 -12.563 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.718 4.625 -12.593 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.475 4.224 -11.033 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.702 4.255 -11.179 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.613 2.873 -13.931 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.553 2.433 -12.571 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.564 1.192 -13.349 1.00 0.00 H new ATOM 248 N LEU A 20 -3.206 -1.466 -11.042 1.00 0.00 N ATOM 249 CA LEU A 20 -2.511 -2.687 -10.649 1.00 0.00 C ATOM 250 C LEU A 20 -1.016 -2.435 -10.486 1.00 0.00 C ATOM 251 O LEU A 20 -0.450 -1.557 -11.138 1.00 0.00 O ATOM 252 CB LEU A 20 -2.745 -3.787 -11.685 1.00 0.00 C ATOM 253 CG LEU A 20 -2.382 -5.207 -11.250 1.00 0.00 C ATOM 254 CD1 LEU A 20 -3.127 -5.583 -9.979 1.00 0.00 C ATOM 255 CD2 LEU A 20 -2.688 -6.200 -12.362 1.00 0.00 C ATOM 0 H LEU A 20 -3.142 -1.247 -12.036 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.912 -3.010 -9.689 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.797 -3.773 -11.969 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.171 -3.544 -12.579 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.312 -5.240 -11.043 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.856 -6.597 -9.685 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.859 -4.890 -9.182 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.201 -5.532 -10.158 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.423 -7.206 -12.035 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.751 -6.164 -12.600 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.109 -5.943 -13.249 1.00 0.00 H new ATOM 267 N TYR A 21 -0.382 -3.211 -9.615 1.00 0.00 N ATOM 268 CA TYR A 21 1.049 -3.072 -9.367 1.00 0.00 C ATOM 269 C TYR A 21 1.723 -4.438 -9.288 1.00 0.00 C ATOM 270 O TYR A 21 1.123 -5.414 -8.837 1.00 0.00 O ATOM 271 CB TYR A 21 1.290 -2.296 -8.071 1.00 0.00 C ATOM 272 CG TYR A 21 1.430 -0.805 -8.275 1.00 0.00 C ATOM 273 CD1 TYR A 21 0.314 0.022 -8.296 1.00 0.00 C ATOM 274 CD2 TYR A 21 2.680 -0.222 -8.447 1.00 0.00 C ATOM 275 CE1 TYR A 21 0.438 1.385 -8.483 1.00 0.00 C ATOM 276 CE2 TYR A 21 2.813 1.140 -8.633 1.00 0.00 C ATOM 277 CZ TYR A 21 1.689 1.940 -8.651 1.00 0.00 C ATOM 278 OH TYR A 21 1.817 3.297 -8.836 1.00 0.00 O ATOM 0 H TYR A 21 -0.836 -3.943 -9.068 1.00 0.00 H new ATOM 0 HA TYR A 21 1.485 -2.520 -10.200 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.464 -2.484 -7.386 1.00 0.00 H new ATOM 0 HB3 TYR A 21 2.193 -2.675 -7.593 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.668 -0.408 -8.164 1.00 0.00 H new ATOM 0 HD2 TYR A 21 3.562 -0.845 -8.435 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -0.441 2.013 -8.498 1.00 0.00 H new ATOM 0 HE2 TYR A 21 3.792 1.577 -8.764 1.00 0.00 H new ATOM 0 HH TYR A 21 2.765 3.525 -8.937 1.00 0.00 H new ATOM 288 N ARG A 22 2.975 -4.499 -9.729 1.00 0.00 N ATOM 289 CA ARG A 22 3.733 -5.744 -9.709 1.00 0.00 C ATOM 290 C ARG A 22 5.220 -5.473 -9.498 1.00 0.00 C ATOM 291 O ARG A 22 5.689 -4.351 -9.689 1.00 0.00 O ATOM 292 CB ARG A 22 3.525 -6.513 -11.015 1.00 0.00 C ATOM 293 CG ARG A 22 2.178 -7.212 -11.102 1.00 0.00 C ATOM 294 CD ARG A 22 1.947 -7.807 -12.483 1.00 0.00 C ATOM 295 NE ARG A 22 3.040 -8.687 -12.889 1.00 0.00 N ATOM 296 CZ ARG A 22 3.239 -9.080 -14.142 1.00 0.00 C ATOM 297 NH1 ARG A 22 2.425 -8.673 -15.106 1.00 0.00 N ATOM 298 NH2 ARG A 22 4.256 -9.882 -14.433 1.00 0.00 N ATOM 0 H ARG A 22 3.486 -3.700 -10.105 1.00 0.00 H new ATOM 0 HA ARG A 22 3.370 -6.347 -8.877 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.621 -5.822 -11.853 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.317 -7.254 -11.120 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.127 -8.001 -10.352 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.383 -6.502 -10.873 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.011 -8.366 -12.485 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.839 -7.003 -13.211 1.00 0.00 H new ATOM 0 HE ARG A 22 3.685 -9.018 -12.171 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.643 -8.056 -14.887 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.581 -8.977 -16.067 1.00 0.00 H new ATOM 0 HH21 ARG A 22 4.885 -10.197 -13.694 1.00 0.00 H new ATOM 0 HH22 ARG A 22 4.408 -10.184 -15.395 1.00 0.00 H new ATOM 312 N ILE A 23 5.954 -6.507 -9.102 1.00 0.00 N ATOM 313 CA ILE A 23 7.386 -6.380 -8.865 1.00 0.00 C ATOM 314 C ILE A 23 8.172 -6.510 -10.166 1.00 0.00 C ATOM 315 O ILE A 23 7.681 -7.067 -11.148 1.00 0.00 O ATOM 316 CB ILE A 23 7.888 -7.441 -7.868 1.00 0.00 C ATOM 317 CG1 ILE A 23 7.620 -8.847 -8.407 1.00 0.00 C ATOM 318 CG2 ILE A 23 7.223 -7.251 -6.513 1.00 0.00 C ATOM 319 CD1 ILE A 23 8.099 -9.949 -7.488 1.00 0.00 C ATOM 0 H ILE A 23 5.580 -7.442 -8.939 1.00 0.00 H new ATOM 0 HA ILE A 23 7.549 -5.389 -8.441 1.00 0.00 H new ATOM 0 HB ILE A 23 8.964 -7.320 -7.743 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.549 -8.965 -8.575 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.108 -8.955 -9.376 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.588 -8.008 -5.819 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.461 -6.260 -6.127 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.143 -7.348 -6.621 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.876 -10.918 -7.935 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.175 -9.857 -7.340 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.592 -9.867 -6.527 1.00 0.00 H new ATOM 331 N LYS A 24 9.396 -5.993 -10.165 1.00 0.00 N ATOM 332 CA LYS A 24 10.253 -6.053 -11.343 1.00 0.00 C ATOM 333 C LYS A 24 11.379 -7.063 -11.146 1.00 0.00 C ATOM 334 O LYS A 24 11.972 -7.145 -10.070 1.00 0.00 O ATOM 335 CB LYS A 24 10.840 -4.672 -11.643 1.00 0.00 C ATOM 336 CG LYS A 24 10.731 -4.268 -13.103 1.00 0.00 C ATOM 337 CD LYS A 24 12.030 -4.518 -13.850 1.00 0.00 C ATOM 338 CE LYS A 24 11.966 -3.988 -15.274 1.00 0.00 C ATOM 339 NZ LYS A 24 12.913 -2.859 -15.489 1.00 0.00 N ATOM 0 H LYS A 24 9.817 -5.527 -9.361 1.00 0.00 H new ATOM 0 HA LYS A 24 9.644 -6.374 -12.188 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.330 -3.929 -11.030 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.890 -4.661 -11.349 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.924 -4.828 -13.577 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.469 -3.212 -13.171 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.854 -4.040 -13.320 1.00 0.00 H new ATOM 0 HD3 LYS A 24 12.240 -5.587 -13.868 1.00 0.00 H new ATOM 0 HE2 LYS A 24 12.196 -4.793 -15.972 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.951 -3.657 -15.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.839 -2.526 -16.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 12.678 -2.080 -14.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.885 -3.181 -15.305 1.00 0.00 H new ATOM 583 N LEU A 41 7.417 -3.635 3.734 1.00 0.00 N ATOM 584 CA LEU A 41 6.081 -4.209 3.859 1.00 0.00 C ATOM 585 C LEU A 41 5.352 -4.188 2.519 1.00 0.00 C ATOM 586 O LEU A 41 4.869 -5.217 2.047 1.00 0.00 O ATOM 587 CB LEU A 41 5.271 -3.441 4.905 1.00 0.00 C ATOM 588 CG LEU A 41 3.802 -3.842 5.042 1.00 0.00 C ATOM 589 CD1 LEU A 41 3.679 -5.200 5.715 1.00 0.00 C ATOM 590 CD2 LEU A 41 3.032 -2.787 5.822 1.00 0.00 C ATOM 0 HA LEU A 41 6.186 -5.246 4.179 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.754 -3.568 5.874 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.316 -2.379 4.663 1.00 0.00 H new ATOM 0 HG LEU A 41 3.371 -3.914 4.043 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.626 -5.468 5.804 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.196 -5.951 5.117 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.127 -5.156 6.708 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.988 -3.089 5.910 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.464 -2.682 6.817 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.091 -1.833 5.299 1.00 0.00 H new ATOM 602 N VAL A 42 5.279 -3.009 1.909 1.00 0.00 N ATOM 603 CA VAL A 42 4.612 -2.855 0.622 1.00 0.00 C ATOM 604 C VAL A 42 5.211 -3.790 -0.423 1.00 0.00 C ATOM 605 O VAL A 42 4.493 -4.547 -1.078 1.00 0.00 O ATOM 606 CB VAL A 42 4.706 -1.405 0.111 1.00 0.00 C ATOM 607 CG1 VAL A 42 3.998 -1.263 -1.227 1.00 0.00 C ATOM 608 CG2 VAL A 42 4.127 -0.441 1.135 1.00 0.00 C ATOM 0 H VAL A 42 5.674 -2.147 2.286 1.00 0.00 H new ATOM 0 HA VAL A 42 3.564 -3.111 0.776 1.00 0.00 H new ATOM 0 HB VAL A 42 5.757 -1.157 -0.034 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.075 -0.232 -1.572 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.463 -1.926 -1.957 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.947 -1.530 -1.113 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.202 0.579 0.758 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.080 -0.686 1.314 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.684 -0.524 2.068 1.00 0.00 H new ATOM 618 N TYR A 43 6.529 -3.733 -0.574 1.00 0.00 N ATOM 619 CA TYR A 43 7.225 -4.573 -1.541 1.00 0.00 C ATOM 620 C TYR A 43 6.886 -6.045 -1.327 1.00 0.00 C ATOM 621 O TYR A 43 6.687 -6.792 -2.284 1.00 0.00 O ATOM 622 CB TYR A 43 8.737 -4.366 -1.433 1.00 0.00 C ATOM 623 CG TYR A 43 9.505 -4.882 -2.629 1.00 0.00 C ATOM 624 CD1 TYR A 43 9.676 -4.096 -3.762 1.00 0.00 C ATOM 625 CD2 TYR A 43 10.060 -6.156 -2.626 1.00 0.00 C ATOM 626 CE1 TYR A 43 10.377 -4.563 -4.857 1.00 0.00 C ATOM 627 CE2 TYR A 43 10.763 -6.631 -3.716 1.00 0.00 C ATOM 628 CZ TYR A 43 10.919 -5.831 -4.829 1.00 0.00 C ATOM 629 OH TYR A 43 11.617 -6.302 -5.917 1.00 0.00 O ATOM 0 H TYR A 43 7.137 -3.113 -0.039 1.00 0.00 H new ATOM 0 HA TYR A 43 6.896 -4.284 -2.539 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.942 -3.302 -1.311 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.101 -4.866 -0.535 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.253 -3.102 -3.787 1.00 0.00 H new ATOM 0 HD2 TYR A 43 9.940 -6.785 -1.757 1.00 0.00 H new ATOM 0 HE1 TYR A 43 10.500 -3.939 -5.730 1.00 0.00 H new ATOM 0 HE2 TYR A 43 11.188 -7.624 -3.697 1.00 0.00 H new ATOM 0 HH TYR A 43 11.489 -5.695 -6.676 1.00 0.00 H new ATOM 639 N GLN A 44 6.821 -6.453 -0.064 1.00 0.00 N ATOM 640 CA GLN A 44 6.506 -7.835 0.277 1.00 0.00 C ATOM 641 C GLN A 44 5.117 -8.216 -0.225 1.00 0.00 C ATOM 642 O GLN A 44 4.923 -9.295 -0.786 1.00 0.00 O ATOM 643 CB GLN A 44 6.589 -8.042 1.790 1.00 0.00 C ATOM 644 CG GLN A 44 7.997 -8.325 2.289 1.00 0.00 C ATOM 645 CD GLN A 44 8.247 -9.803 2.519 1.00 0.00 C ATOM 646 OE1 GLN A 44 8.659 -10.213 3.605 1.00 0.00 O ATOM 647 NE2 GLN A 44 8.000 -10.612 1.495 1.00 0.00 N ATOM 0 H GLN A 44 6.982 -5.846 0.740 1.00 0.00 H new ATOM 0 HA GLN A 44 7.238 -8.479 -0.211 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.207 -7.153 2.291 1.00 0.00 H new ATOM 0 HB3 GLN A 44 5.939 -8.871 2.071 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.718 -7.946 1.565 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.165 -7.783 3.219 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.659 -10.229 0.613 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.151 -11.616 1.591 1.00 0.00 H new ATOM 656 N ILE A 45 4.153 -7.325 -0.018 1.00 0.00 N ATOM 657 CA ILE A 45 2.783 -7.568 -0.450 1.00 0.00 C ATOM 658 C ILE A 45 2.693 -7.659 -1.969 1.00 0.00 C ATOM 659 O ILE A 45 2.073 -8.575 -2.511 1.00 0.00 O ATOM 660 CB ILE A 45 1.832 -6.461 0.044 1.00 0.00 C ATOM 661 CG1 ILE A 45 1.878 -6.363 1.570 1.00 0.00 C ATOM 662 CG2 ILE A 45 0.413 -6.731 -0.432 1.00 0.00 C ATOM 663 CD1 ILE A 45 1.311 -5.068 2.109 1.00 0.00 C ATOM 0 H ILE A 45 4.296 -6.428 0.446 1.00 0.00 H new ATOM 0 HA ILE A 45 2.479 -8.519 -0.013 1.00 0.00 H new ATOM 0 HB ILE A 45 2.159 -5.508 -0.373 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.323 -7.199 1.997 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.911 -6.464 1.902 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.247 -5.940 -0.075 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.393 -6.756 -1.522 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.074 -7.690 -0.041 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.376 -5.067 3.197 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.880 -4.228 1.711 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.268 -4.974 1.808 1.00 0.00 H new ATOM 675 N ILE A 46 3.317 -6.705 -2.651 1.00 0.00 N ATOM 676 CA ILE A 46 3.311 -6.679 -4.109 1.00 0.00 C ATOM 677 C ILE A 46 3.963 -7.932 -4.684 1.00 0.00 C ATOM 678 O ILE A 46 3.473 -8.509 -5.654 1.00 0.00 O ATOM 679 CB ILE A 46 4.041 -5.438 -4.653 1.00 0.00 C ATOM 680 CG1 ILE A 46 3.394 -4.161 -4.112 1.00 0.00 C ATOM 681 CG2 ILE A 46 4.028 -5.441 -6.175 1.00 0.00 C ATOM 682 CD1 ILE A 46 4.231 -2.920 -4.331 1.00 0.00 C ATOM 0 H ILE A 46 3.833 -5.940 -2.218 1.00 0.00 H new ATOM 0 HA ILE A 46 2.267 -6.641 -4.419 1.00 0.00 H new ATOM 0 HB ILE A 46 5.078 -5.468 -4.318 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.424 -4.024 -4.590 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.209 -4.281 -3.045 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.548 -4.557 -6.545 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.529 -6.337 -6.541 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.998 -5.431 -6.530 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.711 -2.054 -3.923 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.192 -3.036 -3.829 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.394 -2.775 -5.399 1.00 0.00 H new ATOM 694 N GLU A 47 5.071 -8.347 -4.077 1.00 0.00 N ATOM 695 CA GLU A 47 5.790 -9.533 -4.529 1.00 0.00 C ATOM 696 C GLU A 47 4.914 -10.777 -4.414 1.00 0.00 C ATOM 697 O GLU A 47 4.887 -11.615 -5.315 1.00 0.00 O ATOM 698 CB GLU A 47 7.071 -9.721 -3.714 1.00 0.00 C ATOM 699 CG GLU A 47 7.915 -10.899 -4.170 1.00 0.00 C ATOM 700 CD GLU A 47 7.861 -12.065 -3.202 1.00 0.00 C ATOM 701 OE1 GLU A 47 7.873 -11.821 -1.977 1.00 0.00 O ATOM 702 OE2 GLU A 47 7.807 -13.221 -3.670 1.00 0.00 O ATOM 0 H GLU A 47 5.490 -7.880 -3.272 1.00 0.00 H new ATOM 0 HA GLU A 47 6.052 -9.390 -5.577 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.668 -8.811 -3.776 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.808 -9.858 -2.665 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.571 -11.229 -5.150 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.950 -10.576 -4.287 1.00 0.00 H new ATOM 709 N ASP A 48 4.200 -10.890 -3.299 1.00 0.00 N ATOM 710 CA ASP A 48 3.322 -12.030 -3.066 1.00 0.00 C ATOM 711 C ASP A 48 2.295 -12.164 -4.186 1.00 0.00 C ATOM 712 O ASP A 48 1.829 -13.263 -4.486 1.00 0.00 O ATOM 713 CB ASP A 48 2.611 -11.887 -1.720 1.00 0.00 C ATOM 714 CG ASP A 48 3.089 -12.902 -0.700 1.00 0.00 C ATOM 715 OD1 ASP A 48 2.793 -14.103 -0.874 1.00 0.00 O ATOM 716 OD2 ASP A 48 3.760 -12.495 0.271 1.00 0.00 O ATOM 0 H ASP A 48 4.212 -10.206 -2.543 1.00 0.00 H new ATOM 0 HA ASP A 48 3.935 -12.931 -3.050 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.774 -10.882 -1.332 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.537 -12.002 -1.866 1.00 0.00 H new ATOM 721 N ALA A 49 1.946 -11.038 -4.800 1.00 0.00 N ATOM 722 CA ALA A 49 0.975 -11.030 -5.887 1.00 0.00 C ATOM 723 C ALA A 49 1.569 -11.629 -7.157 1.00 0.00 C ATOM 724 O ALA A 49 0.873 -12.288 -7.929 1.00 0.00 O ATOM 725 CB ALA A 49 0.486 -9.613 -6.147 1.00 0.00 C ATOM 0 H ALA A 49 2.321 -10.120 -4.563 1.00 0.00 H new ATOM 0 HA ALA A 49 0.127 -11.646 -5.589 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.239 -9.622 -6.961 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.015 -9.220 -5.246 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.331 -8.981 -6.420 1.00 0.00 H new ATOM 731 N GLY A 50 2.860 -11.395 -7.370 1.00 0.00 N ATOM 732 CA GLY A 50 3.525 -11.917 -8.549 1.00 0.00 C ATOM 733 C GLY A 50 2.886 -11.436 -9.836 1.00 0.00 C ATOM 734 O GLY A 50 2.559 -10.258 -9.971 1.00 0.00 O ATOM 0 H GLY A 50 3.458 -10.853 -6.746 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.573 -11.618 -8.534 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.504 -13.006 -8.522 1.00 0.00 H new ATOM 738 N ASN A 51 2.710 -12.349 -10.786 1.00 0.00 N ATOM 739 CA ASN A 51 2.109 -12.010 -12.070 1.00 0.00 C ATOM 740 C ASN A 51 0.698 -11.459 -11.881 1.00 0.00 C ATOM 741 O ASN A 51 0.254 -10.588 -12.630 1.00 0.00 O ATOM 742 CB ASN A 51 2.070 -13.240 -12.979 1.00 0.00 C ATOM 743 CG ASN A 51 3.260 -13.301 -13.919 1.00 0.00 C ATOM 744 OD1 ASN A 51 4.383 -12.971 -13.538 1.00 0.00 O ATOM 745 ND2 ASN A 51 3.017 -13.725 -15.153 1.00 0.00 N ATOM 0 H ASN A 51 2.975 -13.329 -10.690 1.00 0.00 H new ATOM 0 HA ASN A 51 2.722 -11.240 -12.538 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.048 -14.141 -12.366 1.00 0.00 H new ATOM 0 HB3 ASN A 51 1.149 -13.228 -13.562 1.00 0.00 H new ATOM 0 HD21 ASN A 51 3.778 -13.788 -15.830 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.070 -13.988 -15.425 1.00 0.00 H new ATOM 752 N LYS A 52 -0.002 -11.972 -10.876 1.00 0.00 N ATOM 753 CA LYS A 52 -1.361 -11.532 -10.586 1.00 0.00 C ATOM 754 C LYS A 52 -1.381 -10.063 -10.176 1.00 0.00 C ATOM 755 O LYS A 52 -2.377 -9.367 -10.372 1.00 0.00 O ATOM 756 CB LYS A 52 -1.971 -12.390 -9.475 1.00 0.00 C ATOM 757 CG LYS A 52 -1.905 -13.882 -9.753 1.00 0.00 C ATOM 758 CD LYS A 52 -2.817 -14.664 -8.823 1.00 0.00 C ATOM 759 CE LYS A 52 -2.542 -16.158 -8.899 1.00 0.00 C ATOM 760 NZ LYS A 52 -3.427 -16.835 -9.887 1.00 0.00 N ATOM 0 H LYS A 52 0.350 -12.694 -10.247 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.955 -11.647 -11.493 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.453 -12.180 -8.539 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.013 -12.101 -9.334 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.189 -14.073 -10.788 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.879 -14.230 -9.635 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.676 -14.319 -7.799 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.857 -14.471 -9.085 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.500 -16.322 -9.173 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.687 -16.605 -7.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.209 -17.852 -9.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.421 -16.700 -9.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.270 -16.427 -10.831 1.00 0.00 H new ATOM 774 N GLY A 53 -0.274 -9.596 -9.608 1.00 0.00 N ATOM 775 CA GLY A 53 -0.185 -8.211 -9.181 1.00 0.00 C ATOM 776 C GLY A 53 -1.192 -7.872 -8.100 1.00 0.00 C ATOM 777 O GLY A 53 -2.104 -8.653 -7.826 1.00 0.00 O ATOM 0 H GLY A 53 0.564 -10.152 -9.436 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.821 -8.012 -8.812 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.344 -7.558 -10.039 1.00 0.00 H new ATOM 781 N ILE A 54 -1.027 -6.707 -7.484 1.00 0.00 N ATOM 782 CA ILE A 54 -1.929 -6.267 -6.427 1.00 0.00 C ATOM 783 C ILE A 54 -2.395 -4.835 -6.663 1.00 0.00 C ATOM 784 O ILE A 54 -1.590 -3.948 -6.947 1.00 0.00 O ATOM 785 CB ILE A 54 -1.259 -6.356 -5.043 1.00 0.00 C ATOM 786 CG1 ILE A 54 -2.267 -6.018 -3.942 1.00 0.00 C ATOM 787 CG2 ILE A 54 -0.059 -5.424 -4.974 1.00 0.00 C ATOM 788 CD1 ILE A 54 -2.223 -6.973 -2.769 1.00 0.00 C ATOM 0 H ILE A 54 -0.277 -6.050 -7.699 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.790 -6.935 -6.448 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.910 -7.377 -4.890 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.076 -5.006 -3.584 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.271 -6.022 -4.366 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.403 -5.499 -3.990 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.666 -5.707 -5.738 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.385 -4.398 -5.145 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.963 -6.673 -2.028 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.444 -7.983 -3.114 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.230 -6.952 -2.320 1.00 0.00 H new ATOM 800 N TRP A 55 -3.700 -4.616 -6.541 1.00 0.00 N ATOM 801 CA TRP A 55 -4.274 -3.290 -6.739 1.00 0.00 C ATOM 802 C TRP A 55 -3.844 -2.339 -5.627 1.00 0.00 C ATOM 803 O TRP A 55 -3.706 -2.742 -4.472 1.00 0.00 O ATOM 804 CB TRP A 55 -5.800 -3.375 -6.792 1.00 0.00 C ATOM 805 CG TRP A 55 -6.307 -4.281 -7.873 1.00 0.00 C ATOM 806 CD1 TRP A 55 -6.506 -5.630 -7.785 1.00 0.00 C ATOM 807 CD2 TRP A 55 -6.676 -3.905 -9.204 1.00 0.00 C ATOM 808 NE1 TRP A 55 -6.978 -6.114 -8.982 1.00 0.00 N ATOM 809 CE2 TRP A 55 -7.091 -5.076 -9.868 1.00 0.00 C ATOM 810 CE3 TRP A 55 -6.699 -2.693 -9.899 1.00 0.00 C ATOM 811 CZ2 TRP A 55 -7.522 -5.067 -11.192 1.00 0.00 C ATOM 812 CZ3 TRP A 55 -7.126 -2.686 -11.213 1.00 0.00 C ATOM 813 CH2 TRP A 55 -7.534 -3.866 -11.848 1.00 0.00 C ATOM 0 H TRP A 55 -4.380 -5.339 -6.306 1.00 0.00 H new ATOM 0 HA TRP A 55 -3.906 -2.900 -7.688 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -6.171 -3.727 -5.829 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -6.207 -2.376 -6.945 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -6.320 -6.228 -6.905 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -7.207 -7.088 -9.178 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -6.388 -1.778 -9.417 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -7.836 -5.976 -11.684 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -7.146 -1.755 -11.760 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -7.865 -3.827 -12.875 1.00 0.00 H new ATOM 824 N SER A 56 -3.634 -1.076 -5.983 1.00 0.00 N ATOM 825 CA SER A 56 -3.216 -0.068 -5.015 1.00 0.00 C ATOM 826 C SER A 56 -4.146 -0.057 -3.807 1.00 0.00 C ATOM 827 O SER A 56 -3.731 0.263 -2.693 1.00 0.00 O ATOM 828 CB SER A 56 -3.191 1.316 -5.667 1.00 0.00 C ATOM 829 OG SER A 56 -3.332 2.339 -4.696 1.00 0.00 O ATOM 0 H SER A 56 -3.746 -0.726 -6.934 1.00 0.00 H new ATOM 0 HA SER A 56 -2.211 -0.320 -4.676 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.254 1.450 -6.208 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.995 1.391 -6.399 1.00 0.00 H new ATOM 0 HG SER A 56 -3.311 3.214 -5.137 1.00 0.00 H new ATOM 835 N ARG A 57 -5.407 -0.409 -4.035 1.00 0.00 N ATOM 836 CA ARG A 57 -6.398 -0.439 -2.966 1.00 0.00 C ATOM 837 C ARG A 57 -6.175 -1.640 -2.052 1.00 0.00 C ATOM 838 O ARG A 57 -6.331 -1.543 -0.834 1.00 0.00 O ATOM 839 CB ARG A 57 -7.811 -0.486 -3.552 1.00 0.00 C ATOM 840 CG ARG A 57 -8.757 0.537 -2.945 1.00 0.00 C ATOM 841 CD ARG A 57 -9.683 1.131 -3.994 1.00 0.00 C ATOM 842 NE ARG A 57 -10.598 2.115 -3.422 1.00 0.00 N ATOM 843 CZ ARG A 57 -11.643 1.796 -2.667 1.00 0.00 C ATOM 844 NH1 ARG A 57 -11.904 0.525 -2.394 1.00 0.00 N ATOM 845 NH2 ARG A 57 -12.430 2.748 -2.183 1.00 0.00 N ATOM 0 H ARG A 57 -5.767 -0.678 -4.951 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.287 0.471 -2.376 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.754 -0.322 -4.628 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.224 -1.484 -3.403 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -9.349 0.066 -2.160 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.180 1.333 -2.475 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.089 1.601 -4.778 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.257 0.333 -4.465 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.425 3.102 -3.613 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.302 -0.210 -2.764 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.707 0.282 -1.814 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.233 3.727 -2.391 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.232 2.501 -1.603 1.00 0.00 H new ATOM 859 N ASP A 58 -5.811 -2.770 -2.647 1.00 0.00 N ATOM 860 CA ASP A 58 -5.566 -3.990 -1.886 1.00 0.00 C ATOM 861 C ASP A 58 -4.289 -3.868 -1.060 1.00 0.00 C ATOM 862 O ASP A 58 -4.306 -4.043 0.159 1.00 0.00 O ATOM 863 CB ASP A 58 -5.467 -5.192 -2.826 1.00 0.00 C ATOM 864 CG ASP A 58 -6.827 -5.723 -3.232 1.00 0.00 C ATOM 865 OD1 ASP A 58 -7.458 -6.424 -2.414 1.00 0.00 O ATOM 866 OD2 ASP A 58 -7.261 -5.439 -4.368 1.00 0.00 O ATOM 0 H ASP A 58 -5.679 -2.867 -3.654 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.405 -4.139 -1.206 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.910 -4.907 -3.719 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.901 -5.986 -2.338 1.00 0.00 H new ATOM 871 N VAL A 59 -3.182 -3.568 -1.732 1.00 0.00 N ATOM 872 CA VAL A 59 -1.896 -3.422 -1.061 1.00 0.00 C ATOM 873 C VAL A 59 -1.971 -2.382 0.052 1.00 0.00 C ATOM 874 O VAL A 59 -1.196 -2.424 1.007 1.00 0.00 O ATOM 875 CB VAL A 59 -0.788 -3.019 -2.052 1.00 0.00 C ATOM 876 CG1 VAL A 59 -1.161 -1.735 -2.777 1.00 0.00 C ATOM 877 CG2 VAL A 59 0.543 -2.866 -1.330 1.00 0.00 C ATOM 0 H VAL A 59 -3.150 -3.421 -2.741 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.652 -4.393 -0.630 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.684 -3.810 -2.795 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.366 -1.466 -3.473 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.090 -1.885 -3.327 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.295 -0.933 -2.051 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.314 -2.581 -2.045 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.455 -2.095 -0.565 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.814 -3.812 -0.862 1.00 0.00 H new ATOM 887 N ARG A 60 -2.909 -1.450 -0.080 1.00 0.00 N ATOM 888 CA ARG A 60 -3.084 -0.398 0.914 1.00 0.00 C ATOM 889 C ARG A 60 -3.710 -0.954 2.190 1.00 0.00 C ATOM 890 O ARG A 60 -3.303 -0.601 3.297 1.00 0.00 O ATOM 891 CB ARG A 60 -3.960 0.724 0.351 1.00 0.00 C ATOM 892 CG ARG A 60 -4.144 1.891 1.307 1.00 0.00 C ATOM 893 CD ARG A 60 -5.575 2.404 1.290 1.00 0.00 C ATOM 894 NE ARG A 60 -6.396 1.771 2.319 1.00 0.00 N ATOM 895 CZ ARG A 60 -7.538 2.282 2.766 1.00 0.00 C ATOM 896 NH1 ARG A 60 -7.992 3.427 2.275 1.00 0.00 N ATOM 897 NH2 ARG A 60 -8.228 1.647 3.704 1.00 0.00 N ATOM 0 H ARG A 60 -3.559 -1.402 -0.865 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.101 0.004 1.157 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.516 1.090 -0.575 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -4.938 0.316 0.096 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -3.880 1.580 2.318 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.464 2.698 1.034 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.575 3.484 1.440 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -6.015 2.218 0.310 1.00 0.00 H new ATOM 0 HE ARG A 60 -6.075 0.888 2.716 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -7.464 3.917 1.553 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -8.869 3.818 2.620 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -7.882 0.765 4.083 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -9.105 2.040 4.046 1.00 0.00 H new ATOM 911 N TYR A 61 -4.700 -1.824 2.026 1.00 0.00 N ATOM 912 CA TYR A 61 -5.384 -2.426 3.164 1.00 0.00 C ATOM 913 C TYR A 61 -4.428 -3.295 3.977 1.00 0.00 C ATOM 914 O TYR A 61 -4.356 -3.184 5.201 1.00 0.00 O ATOM 915 CB TYR A 61 -6.572 -3.264 2.688 1.00 0.00 C ATOM 916 CG TYR A 61 -7.826 -3.057 3.506 1.00 0.00 C ATOM 917 CD1 TYR A 61 -8.384 -1.792 3.650 1.00 0.00 C ATOM 918 CD2 TYR A 61 -8.453 -4.125 4.136 1.00 0.00 C ATOM 919 CE1 TYR A 61 -9.529 -1.598 4.398 1.00 0.00 C ATOM 920 CE2 TYR A 61 -9.600 -3.940 4.883 1.00 0.00 C ATOM 921 CZ TYR A 61 -10.134 -2.674 5.012 1.00 0.00 C ATOM 922 OH TYR A 61 -11.275 -2.486 5.757 1.00 0.00 O ATOM 0 H TYR A 61 -5.047 -2.128 1.116 1.00 0.00 H new ATOM 0 HA TYR A 61 -5.748 -1.621 3.803 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -6.783 -3.021 1.647 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.298 -4.318 2.720 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -7.914 -0.947 3.169 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -8.036 -5.117 4.040 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -9.948 -0.608 4.501 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -10.076 -4.782 5.364 1.00 0.00 H new ATOM 0 HH TYR A 61 -11.574 -3.346 6.120 1.00 0.00 H new ATOM 932 N LYS A 62 -3.694 -4.160 3.286 1.00 0.00 N ATOM 933 CA LYS A 62 -2.740 -5.048 3.939 1.00 0.00 C ATOM 934 C LYS A 62 -1.581 -4.256 4.537 1.00 0.00 C ATOM 935 O LYS A 62 -0.999 -4.655 5.546 1.00 0.00 O ATOM 936 CB LYS A 62 -2.206 -6.080 2.943 1.00 0.00 C ATOM 937 CG LYS A 62 -3.239 -7.113 2.526 1.00 0.00 C ATOM 938 CD LYS A 62 -2.611 -8.234 1.716 1.00 0.00 C ATOM 939 CE LYS A 62 -1.827 -9.190 2.602 1.00 0.00 C ATOM 940 NZ LYS A 62 -2.725 -10.062 3.408 1.00 0.00 N ATOM 0 H LYS A 62 -3.742 -4.265 2.273 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.258 -5.566 4.746 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.843 -5.562 2.055 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.351 -6.591 3.385 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.718 -7.528 3.413 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -4.020 -6.631 1.938 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.390 -8.783 1.187 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.949 -7.811 0.960 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.179 -9.810 1.983 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.180 -8.620 3.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.167 -10.818 3.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.190 -9.495 4.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.447 -10.484 2.789 1.00 0.00 H new ATOM 954 N SER A 63 -1.251 -3.133 3.907 1.00 0.00 N ATOM 955 CA SER A 63 -0.160 -2.286 4.376 1.00 0.00 C ATOM 956 C SER A 63 -0.611 -1.415 5.543 1.00 0.00 C ATOM 957 O SER A 63 0.200 -0.990 6.365 1.00 0.00 O ATOM 958 CB SER A 63 0.355 -1.405 3.236 1.00 0.00 C ATOM 959 OG SER A 63 1.085 -2.169 2.291 1.00 0.00 O ATOM 0 H SER A 63 -1.723 -2.789 3.071 1.00 0.00 H new ATOM 0 HA SER A 63 0.647 -2.933 4.720 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.485 -0.916 2.742 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.990 -0.617 3.640 1.00 0.00 H new ATOM 0 HG SER A 63 0.466 -2.564 1.641 1.00 0.00 H new ATOM 965 N ASN A 64 -1.913 -1.152 5.609 1.00 0.00 N ATOM 966 CA ASN A 64 -2.473 -0.330 6.675 1.00 0.00 C ATOM 967 C ASN A 64 -1.923 1.092 6.613 1.00 0.00 C ATOM 968 O ASN A 64 -1.736 1.742 7.642 1.00 0.00 O ATOM 969 CB ASN A 64 -2.165 -0.949 8.040 1.00 0.00 C ATOM 970 CG ASN A 64 -3.382 -0.991 8.944 1.00 0.00 C ATOM 971 OD1 ASN A 64 -4.210 -1.897 8.848 1.00 0.00 O ATOM 972 ND2 ASN A 64 -3.496 -0.006 9.829 1.00 0.00 N ATOM 0 H ASN A 64 -2.599 -1.496 4.937 1.00 0.00 H new ATOM 0 HA ASN A 64 -3.553 -0.288 6.538 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -1.785 -1.961 7.900 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.375 -0.376 8.526 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.294 0.019 10.464 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -2.785 0.724 9.873 1.00 0.00 H new ATOM 979 N LEU A 65 -1.667 1.568 5.400 1.00 0.00 N ATOM 980 CA LEU A 65 -1.138 2.914 5.202 1.00 0.00 C ATOM 981 C LEU A 65 -2.105 3.764 4.384 1.00 0.00 C ATOM 982 O LEU A 65 -2.767 3.283 3.464 1.00 0.00 O ATOM 983 CB LEU A 65 0.221 2.852 4.503 1.00 0.00 C ATOM 984 CG LEU A 65 1.167 1.745 4.972 1.00 0.00 C ATOM 985 CD1 LEU A 65 2.335 1.599 4.010 1.00 0.00 C ATOM 986 CD2 LEU A 65 1.666 2.031 6.381 1.00 0.00 C ATOM 0 H LEU A 65 -1.817 1.043 4.539 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.015 3.377 6.181 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.052 2.729 3.433 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.721 3.811 4.638 1.00 0.00 H new ATOM 0 HG LEU A 65 0.616 0.805 4.988 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.997 0.807 4.360 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.960 1.347 3.018 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.886 2.538 3.962 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.338 1.233 6.698 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.200 2.981 6.392 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.818 2.084 7.064 1.00 0.00 H new ATOM 998 N PRO A 66 -2.189 5.058 4.725 1.00 0.00 N ATOM 999 CA PRO A 66 -3.070 6.003 4.032 1.00 0.00 C ATOM 1000 C PRO A 66 -2.597 6.306 2.615 1.00 0.00 C ATOM 1001 O PRO A 66 -1.426 6.109 2.285 1.00 0.00 O ATOM 1002 CB PRO A 66 -2.995 7.261 4.901 1.00 0.00 C ATOM 1003 CG PRO A 66 -1.678 7.166 5.591 1.00 0.00 C ATOM 1004 CD PRO A 66 -1.430 5.699 5.812 1.00 0.00 C ATOM 0 HA PRO A 66 -4.079 5.608 3.916 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.061 8.165 4.296 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.816 7.297 5.617 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -0.887 7.608 4.985 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -1.694 7.706 6.538 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.368 5.458 5.757 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -1.780 5.375 6.792 1.00 0.00 H new ATOM 1012 N LEU A 67 -3.512 6.785 1.780 1.00 0.00 N ATOM 1013 CA LEU A 67 -3.187 7.116 0.397 1.00 0.00 C ATOM 1014 C LEU A 67 -1.971 8.035 0.327 1.00 0.00 C ATOM 1015 O LEU A 67 -1.114 7.884 -0.544 1.00 0.00 O ATOM 1016 CB LEU A 67 -4.384 7.783 -0.284 1.00 0.00 C ATOM 1017 CG LEU A 67 -5.023 8.947 0.473 1.00 0.00 C ATOM 1018 CD1 LEU A 67 -4.760 10.261 -0.247 1.00 0.00 C ATOM 1019 CD2 LEU A 67 -6.518 8.719 0.640 1.00 0.00 C ATOM 0 H LEU A 67 -4.485 6.953 2.036 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.949 6.189 -0.125 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.066 8.143 -1.262 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.148 7.025 -0.456 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.571 9.002 1.463 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.222 11.078 0.307 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.685 10.430 -0.314 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.183 10.217 -1.250 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.956 9.558 1.181 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.985 8.637 -0.341 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.685 7.799 1.200 1.00 0.00 H new ATOM 1031 N THR A 68 -1.902 8.986 1.253 1.00 0.00 N ATOM 1032 CA THR A 68 -0.791 9.929 1.298 1.00 0.00 C ATOM 1033 C THR A 68 0.545 9.200 1.389 1.00 0.00 C ATOM 1034 O THR A 68 1.566 9.696 0.914 1.00 0.00 O ATOM 1035 CB THR A 68 -0.920 10.892 2.493 1.00 0.00 C ATOM 1036 OG1 THR A 68 0.088 11.907 2.415 1.00 0.00 O ATOM 1037 CG2 THR A 68 -0.790 10.141 3.810 1.00 0.00 C ATOM 0 H THR A 68 -2.602 9.124 1.982 1.00 0.00 H new ATOM 0 HA THR A 68 -0.826 10.504 0.372 1.00 0.00 H new ATOM 0 HB THR A 68 -1.906 11.355 2.453 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.002 12.516 3.177 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.884 10.842 4.639 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.576 9.389 3.879 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.184 9.653 3.856 1.00 0.00 H new ATOM 1045 N GLU A 69 0.530 8.020 2.002 1.00 0.00 N ATOM 1046 CA GLU A 69 1.742 7.224 2.154 1.00 0.00 C ATOM 1047 C GLU A 69 1.955 6.319 0.944 1.00 0.00 C ATOM 1048 O GLU A 69 2.982 6.399 0.269 1.00 0.00 O ATOM 1049 CB GLU A 69 1.668 6.380 3.428 1.00 0.00 C ATOM 1050 CG GLU A 69 1.768 7.197 4.706 1.00 0.00 C ATOM 1051 CD GLU A 69 3.190 7.629 5.011 1.00 0.00 C ATOM 1052 OE1 GLU A 69 3.719 8.488 4.276 1.00 0.00 O ATOM 1053 OE2 GLU A 69 3.772 7.108 5.985 1.00 0.00 O ATOM 0 H GLU A 69 -0.307 7.595 2.401 1.00 0.00 H new ATOM 0 HA GLU A 69 2.587 7.908 2.228 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.729 5.827 3.433 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.472 5.644 3.413 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.134 8.080 4.619 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.384 6.609 5.540 1.00 0.00 H new ATOM 1060 N ILE A 70 0.977 5.460 0.675 1.00 0.00 N ATOM 1061 CA ILE A 70 1.057 4.542 -0.453 1.00 0.00 C ATOM 1062 C ILE A 70 1.387 5.283 -1.744 1.00 0.00 C ATOM 1063 O ILE A 70 2.270 4.876 -2.497 1.00 0.00 O ATOM 1064 CB ILE A 70 -0.261 3.767 -0.642 1.00 0.00 C ATOM 1065 CG1 ILE A 70 -0.604 2.983 0.626 1.00 0.00 C ATOM 1066 CG2 ILE A 70 -0.159 2.832 -1.838 1.00 0.00 C ATOM 1067 CD1 ILE A 70 0.416 1.922 0.974 1.00 0.00 C ATOM 0 H ILE A 70 0.120 5.381 1.223 1.00 0.00 H new ATOM 0 HA ILE A 70 1.856 3.836 -0.228 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.061 4.482 -0.832 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.692 3.678 1.461 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.578 2.511 0.499 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.098 2.292 -1.958 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.043 3.413 -2.738 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.651 2.121 -1.676 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.109 1.406 1.884 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.488 1.204 0.157 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.388 2.390 1.133 1.00 0.00 H new ATOM 1079 N ASN A 71 0.673 6.376 -1.991 1.00 0.00 N ATOM 1080 CA ASN A 71 0.891 7.177 -3.191 1.00 0.00 C ATOM 1081 C ASN A 71 2.359 7.571 -3.322 1.00 0.00 C ATOM 1082 O ASN A 71 2.865 7.765 -4.427 1.00 0.00 O ATOM 1083 CB ASN A 71 0.015 8.431 -3.158 1.00 0.00 C ATOM 1084 CG ASN A 71 -1.454 8.116 -3.366 1.00 0.00 C ATOM 1085 OD1 ASN A 71 -1.816 6.993 -3.716 1.00 0.00 O ATOM 1086 ND2 ASN A 71 -2.308 9.111 -3.152 1.00 0.00 N ATOM 0 H ASN A 71 -0.061 6.728 -1.377 1.00 0.00 H new ATOM 0 HA ASN A 71 0.617 6.573 -4.056 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.144 8.936 -2.200 1.00 0.00 H new ATOM 0 HB3 ASN A 71 0.348 9.124 -3.931 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.309 8.960 -3.277 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.963 10.026 -2.863 1.00 0.00 H new ATOM 1093 N LYS A 72 3.038 7.688 -2.186 1.00 0.00 N ATOM 1094 CA LYS A 72 4.449 8.057 -2.172 1.00 0.00 C ATOM 1095 C LYS A 72 5.336 6.821 -2.284 1.00 0.00 C ATOM 1096 O LYS A 72 6.336 6.827 -3.002 1.00 0.00 O ATOM 1097 CB LYS A 72 4.783 8.824 -0.890 1.00 0.00 C ATOM 1098 CG LYS A 72 6.266 9.110 -0.722 1.00 0.00 C ATOM 1099 CD LYS A 72 6.543 9.885 0.555 1.00 0.00 C ATOM 1100 CE LYS A 72 6.345 9.016 1.788 1.00 0.00 C ATOM 1101 NZ LYS A 72 7.635 8.475 2.299 1.00 0.00 N ATOM 0 H LYS A 72 2.634 7.533 -1.262 1.00 0.00 H new ATOM 0 HA LYS A 72 4.640 8.698 -3.032 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.237 9.767 -0.888 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.432 8.251 -0.032 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.819 8.171 -0.706 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.627 9.678 -1.579 1.00 0.00 H new ATOM 0 HD2 LYS A 72 7.564 10.265 0.537 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.882 10.750 0.608 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.861 9.601 2.570 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.675 8.191 1.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.457 7.889 3.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.085 7.896 1.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.265 9.262 2.554 1.00 0.00 H new ATOM 1115 N ILE A 73 4.962 5.764 -1.571 1.00 0.00 N ATOM 1116 CA ILE A 73 5.723 4.521 -1.593 1.00 0.00 C ATOM 1117 C ILE A 73 5.714 3.896 -2.984 1.00 0.00 C ATOM 1118 O ILE A 73 6.768 3.635 -3.566 1.00 0.00 O ATOM 1119 CB ILE A 73 5.166 3.502 -0.581 1.00 0.00 C ATOM 1120 CG1 ILE A 73 5.191 4.088 0.832 1.00 0.00 C ATOM 1121 CG2 ILE A 73 5.965 2.208 -0.639 1.00 0.00 C ATOM 1122 CD1 ILE A 73 4.372 3.297 1.828 1.00 0.00 C ATOM 0 H ILE A 73 4.137 5.743 -0.971 1.00 0.00 H new ATOM 0 HA ILE A 73 6.747 4.773 -1.317 1.00 0.00 H new ATOM 0 HB ILE A 73 4.132 3.279 -0.843 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.223 4.136 1.179 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.818 5.112 0.799 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.560 1.498 0.082 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.900 1.785 -1.641 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.008 2.413 -0.399 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.435 3.770 2.808 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.331 3.271 1.504 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.758 2.280 1.890 1.00 0.00 H new ATOM 1134 N LEU A 74 4.519 3.659 -3.513 1.00 0.00 N ATOM 1135 CA LEU A 74 4.372 3.066 -4.838 1.00 0.00 C ATOM 1136 C LEU A 74 5.167 3.850 -5.876 1.00 0.00 C ATOM 1137 O LEU A 74 5.681 3.281 -6.840 1.00 0.00 O ATOM 1138 CB LEU A 74 2.896 3.021 -5.237 1.00 0.00 C ATOM 1139 CG LEU A 74 2.045 1.955 -4.544 1.00 0.00 C ATOM 1140 CD1 LEU A 74 0.603 2.032 -5.019 1.00 0.00 C ATOM 1141 CD2 LEU A 74 2.619 0.569 -4.796 1.00 0.00 C ATOM 0 H LEU A 74 3.637 3.868 -3.045 1.00 0.00 H new ATOM 0 HA LEU A 74 4.763 2.049 -4.800 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.456 3.997 -5.034 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.836 2.862 -6.314 1.00 0.00 H new ATOM 0 HG LEU A 74 2.062 2.144 -3.471 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.013 1.266 -4.515 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.195 3.016 -4.787 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.566 1.869 -6.096 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.001 -0.177 -4.296 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.632 0.370 -5.868 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.635 0.520 -4.405 1.00 0.00 H new ATOM 1153 N LYS A 75 5.267 5.159 -5.673 1.00 0.00 N ATOM 1154 CA LYS A 75 6.003 6.023 -6.589 1.00 0.00 C ATOM 1155 C LYS A 75 7.496 5.997 -6.280 1.00 0.00 C ATOM 1156 O LYS A 75 8.326 6.231 -7.158 1.00 0.00 O ATOM 1157 CB LYS A 75 5.478 7.458 -6.503 1.00 0.00 C ATOM 1158 CG LYS A 75 4.500 7.815 -7.608 1.00 0.00 C ATOM 1159 CD LYS A 75 3.148 7.157 -7.390 1.00 0.00 C ATOM 1160 CE LYS A 75 2.020 8.178 -7.417 1.00 0.00 C ATOM 1161 NZ LYS A 75 0.840 7.682 -8.177 1.00 0.00 N ATOM 0 H LYS A 75 4.847 5.646 -4.881 1.00 0.00 H new ATOM 0 HA LYS A 75 5.853 5.648 -7.602 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.991 7.601 -5.538 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.322 8.147 -6.539 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.376 8.897 -7.650 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.907 7.503 -8.570 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.979 6.406 -8.162 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.146 6.636 -6.433 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.721 8.415 -6.396 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.379 9.104 -7.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.094 8.407 -8.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.119 7.480 -9.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.481 6.813 -7.733 1.00 0.00 H new ATOM 1175 N ASN A 76 7.832 5.709 -5.026 1.00 0.00 N ATOM 1176 CA ASN A 76 9.226 5.652 -4.602 1.00 0.00 C ATOM 1177 C ASN A 76 9.938 4.461 -5.235 1.00 0.00 C ATOM 1178 O ASN A 76 10.904 4.626 -5.981 1.00 0.00 O ATOM 1179 CB ASN A 76 9.313 5.561 -3.077 1.00 0.00 C ATOM 1180 CG ASN A 76 10.282 6.571 -2.492 1.00 0.00 C ATOM 1181 OD1 ASN A 76 11.488 6.497 -2.726 1.00 0.00 O ATOM 1182 ND2 ASN A 76 9.756 7.521 -1.727 1.00 0.00 N ATOM 0 H ASN A 76 7.158 5.512 -4.286 1.00 0.00 H new ATOM 0 HA ASN A 76 9.719 6.566 -4.934 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.323 5.721 -2.649 1.00 0.00 H new ATOM 0 HB3 ASN A 76 9.624 4.556 -2.793 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.358 8.229 -1.306 1.00 0.00 H new ATOM 0 HD22 ASN A 76 8.750 7.543 -1.561 1.00 0.00 H new ATOM 1189 N LEU A 77 9.456 3.260 -4.932 1.00 0.00 N ATOM 1190 CA LEU A 77 10.045 2.040 -5.472 1.00 0.00 C ATOM 1191 C LEU A 77 10.169 2.120 -6.990 1.00 0.00 C ATOM 1192 O LEU A 77 11.072 1.528 -7.580 1.00 0.00 O ATOM 1193 CB LEU A 77 9.201 0.826 -5.080 1.00 0.00 C ATOM 1194 CG LEU A 77 9.452 0.257 -3.683 1.00 0.00 C ATOM 1195 CD1 LEU A 77 8.348 -0.715 -3.297 1.00 0.00 C ATOM 1196 CD2 LEU A 77 10.811 -0.424 -3.620 1.00 0.00 C ATOM 0 H LEU A 77 8.659 3.106 -4.315 1.00 0.00 H new ATOM 0 HA LEU A 77 11.044 1.931 -5.051 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.149 1.101 -5.155 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.377 0.035 -5.810 1.00 0.00 H new ATOM 0 HG LEU A 77 9.448 1.081 -2.970 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.543 -1.110 -2.300 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.389 -0.197 -3.301 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.319 -1.536 -4.013 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.972 -0.823 -2.618 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.844 -1.238 -4.344 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.592 0.300 -3.852 1.00 0.00 H new ATOM 1208 N GLU A 78 9.256 2.857 -7.615 1.00 0.00 N ATOM 1209 CA GLU A 78 9.264 3.015 -9.064 1.00 0.00 C ATOM 1210 C GLU A 78 10.607 3.559 -9.545 1.00 0.00 C ATOM 1211 O GLU A 78 11.293 2.928 -10.348 1.00 0.00 O ATOM 1212 CB GLU A 78 8.136 3.951 -9.504 1.00 0.00 C ATOM 1213 CG GLU A 78 7.707 3.751 -10.948 1.00 0.00 C ATOM 1214 CD GLU A 78 8.175 4.872 -11.856 1.00 0.00 C ATOM 1215 OE1 GLU A 78 9.258 5.435 -11.595 1.00 0.00 O ATOM 1216 OE2 GLU A 78 7.455 5.186 -12.828 1.00 0.00 O ATOM 0 H GLU A 78 8.502 3.354 -7.140 1.00 0.00 H new ATOM 0 HA GLU A 78 9.107 2.033 -9.511 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.275 3.799 -8.854 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.459 4.983 -9.369 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.103 2.803 -11.313 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.620 3.681 -10.994 1.00 0.00 H new ATOM 1223 N SER A 79 10.974 4.736 -9.046 1.00 0.00 N ATOM 1224 CA SER A 79 12.232 5.367 -9.427 1.00 0.00 C ATOM 1225 C SER A 79 13.414 4.450 -9.127 1.00 0.00 C ATOM 1226 O SER A 79 14.411 4.446 -9.848 1.00 0.00 O ATOM 1227 CB SER A 79 12.403 6.697 -8.690 1.00 0.00 C ATOM 1228 OG SER A 79 13.519 7.415 -9.186 1.00 0.00 O ATOM 0 H SER A 79 10.419 5.271 -8.378 1.00 0.00 H new ATOM 0 HA SER A 79 12.205 5.555 -10.500 1.00 0.00 H new ATOM 0 HB2 SER A 79 11.501 7.298 -8.803 1.00 0.00 H new ATOM 0 HB3 SER A 79 12.531 6.512 -7.624 1.00 0.00 H new ATOM 0 HG SER A 79 13.606 8.262 -8.700 1.00 0.00 H new ATOM 1234 N LYS A 80 13.294 3.674 -8.055 1.00 0.00 N ATOM 1235 CA LYS A 80 14.350 2.751 -7.657 1.00 0.00 C ATOM 1236 C LYS A 80 14.472 1.602 -8.653 1.00 0.00 C ATOM 1237 O LYS A 80 15.438 0.839 -8.621 1.00 0.00 O ATOM 1238 CB LYS A 80 14.072 2.199 -6.257 1.00 0.00 C ATOM 1239 CG LYS A 80 13.696 3.268 -5.245 1.00 0.00 C ATOM 1240 CD LYS A 80 14.264 2.958 -3.870 1.00 0.00 C ATOM 1241 CE LYS A 80 15.781 3.069 -3.856 1.00 0.00 C ATOM 1242 NZ LYS A 80 16.240 4.317 -3.184 1.00 0.00 N ATOM 0 H LYS A 80 12.476 3.666 -7.446 1.00 0.00 H new ATOM 0 HA LYS A 80 15.292 3.299 -7.644 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.266 1.468 -6.317 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.956 1.670 -5.902 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.066 4.236 -5.583 1.00 0.00 H new ATOM 0 HG3 LYS A 80 12.611 3.345 -5.182 1.00 0.00 H new ATOM 0 HD2 LYS A 80 13.841 3.645 -3.137 1.00 0.00 H new ATOM 0 HD3 LYS A 80 13.969 1.952 -3.572 1.00 0.00 H new ATOM 0 HE2 LYS A 80 16.204 2.204 -3.344 1.00 0.00 H new ATOM 0 HE3 LYS A 80 16.156 3.048 -4.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 17.279 4.355 -3.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 15.858 5.143 -3.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 15.904 4.325 -2.200 1.00 0.00 H new ATOM 1256 N LYS A 81 13.488 1.484 -9.537 1.00 0.00 N ATOM 1257 CA LYS A 81 13.486 0.430 -10.545 1.00 0.00 C ATOM 1258 C LYS A 81 13.407 -0.946 -9.892 1.00 0.00 C ATOM 1259 O LYS A 81 13.981 -1.915 -10.392 1.00 0.00 O ATOM 1260 CB LYS A 81 14.743 0.524 -11.413 1.00 0.00 C ATOM 1261 CG LYS A 81 14.474 0.337 -12.896 1.00 0.00 C ATOM 1262 CD LYS A 81 14.804 1.592 -13.685 1.00 0.00 C ATOM 1263 CE LYS A 81 16.134 1.460 -14.412 1.00 0.00 C ATOM 1264 NZ LYS A 81 17.278 1.875 -13.554 1.00 0.00 N ATOM 0 H LYS A 81 12.680 2.106 -9.576 1.00 0.00 H new ATOM 0 HA LYS A 81 12.607 0.565 -11.175 1.00 0.00 H new ATOM 0 HB2 LYS A 81 15.210 1.496 -11.257 1.00 0.00 H new ATOM 0 HB3 LYS A 81 15.458 -0.230 -11.084 1.00 0.00 H new ATOM 0 HG2 LYS A 81 15.067 -0.497 -13.272 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.426 0.076 -13.047 1.00 0.00 H new ATOM 0 HD2 LYS A 81 14.011 1.788 -14.407 1.00 0.00 H new ATOM 0 HD3 LYS A 81 14.840 2.448 -13.011 1.00 0.00 H new ATOM 0 HE2 LYS A 81 16.274 0.426 -14.729 1.00 0.00 H new ATOM 0 HE3 LYS A 81 16.117 2.071 -15.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 18.166 1.771 -14.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 17.158 2.869 -13.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 17.310 1.276 -12.705 1.00 0.00 H new ATOM 1278 N LEU A 82 12.693 -1.026 -8.775 1.00 0.00 N ATOM 1279 CA LEU A 82 12.538 -2.285 -8.055 1.00 0.00 C ATOM 1280 C LEU A 82 11.218 -2.960 -8.416 1.00 0.00 C ATOM 1281 O LEU A 82 11.092 -4.182 -8.333 1.00 0.00 O ATOM 1282 CB LEU A 82 12.604 -2.044 -6.546 1.00 0.00 C ATOM 1283 CG LEU A 82 13.997 -1.799 -5.966 1.00 0.00 C ATOM 1284 CD1 LEU A 82 13.915 -1.554 -4.467 1.00 0.00 C ATOM 1285 CD2 LEU A 82 14.914 -2.976 -6.266 1.00 0.00 C ATOM 0 H LEU A 82 12.212 -0.234 -8.348 1.00 0.00 H new ATOM 0 HA LEU A 82 13.355 -2.945 -8.348 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.977 -1.185 -6.308 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.169 -2.906 -6.041 1.00 0.00 H new ATOM 0 HG LEU A 82 14.415 -0.909 -6.437 1.00 0.00 H new ATOM 0 HD11 LEU A 82 14.916 -1.382 -4.071 1.00 0.00 H new ATOM 0 HD12 LEU A 82 13.293 -0.680 -4.275 1.00 0.00 H new ATOM 0 HD13 LEU A 82 13.477 -2.425 -3.979 1.00 0.00 H new ATOM 0 HD21 LEU A 82 15.901 -2.784 -5.846 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.500 -3.882 -5.822 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.998 -3.106 -7.345 1.00 0.00 H new ATOM 1297 N ILE A 83 10.240 -2.157 -8.820 1.00 0.00 N ATOM 1298 CA ILE A 83 8.932 -2.677 -9.198 1.00 0.00 C ATOM 1299 C ILE A 83 8.494 -2.133 -10.553 1.00 0.00 C ATOM 1300 O ILE A 83 9.151 -1.264 -11.128 1.00 0.00 O ATOM 1301 CB ILE A 83 7.862 -2.327 -8.146 1.00 0.00 C ATOM 1302 CG1 ILE A 83 7.778 -0.811 -7.958 1.00 0.00 C ATOM 1303 CG2 ILE A 83 8.173 -3.014 -6.825 1.00 0.00 C ATOM 1304 CD1 ILE A 83 6.735 -0.385 -6.948 1.00 0.00 C ATOM 0 H ILE A 83 10.329 -1.144 -8.894 1.00 0.00 H new ATOM 0 HA ILE A 83 9.029 -3.761 -9.259 1.00 0.00 H new ATOM 0 HB ILE A 83 6.895 -2.685 -8.500 1.00 0.00 H new ATOM 0 HG12 ILE A 83 8.752 -0.438 -7.642 1.00 0.00 H new ATOM 0 HG13 ILE A 83 7.554 -0.346 -8.918 1.00 0.00 H new ATOM 0 HG21 ILE A 83 7.408 -2.757 -6.092 1.00 0.00 H new ATOM 0 HG22 ILE A 83 8.187 -4.094 -6.971 1.00 0.00 H new ATOM 0 HG23 ILE A 83 9.147 -2.684 -6.464 1.00 0.00 H new ATOM 0 HD11 ILE A 83 6.731 0.702 -6.866 1.00 0.00 H new ATOM 0 HD12 ILE A 83 5.753 -0.728 -7.273 1.00 0.00 H new ATOM 0 HD13 ILE A 83 6.969 -0.821 -5.977 1.00 0.00 H new ATOM 1316 N LYS A 84 7.378 -2.647 -11.059 1.00 0.00 N ATOM 1317 CA LYS A 84 6.848 -2.211 -12.345 1.00 0.00 C ATOM 1318 C LYS A 84 5.335 -2.030 -12.278 1.00 0.00 C ATOM 1319 O LYS A 84 4.602 -2.969 -11.969 1.00 0.00 O ATOM 1320 CB LYS A 84 7.203 -3.225 -13.436 1.00 0.00 C ATOM 1321 CG LYS A 84 6.682 -4.624 -13.158 1.00 0.00 C ATOM 1322 CD LYS A 84 7.328 -5.651 -14.073 1.00 0.00 C ATOM 1323 CE LYS A 84 6.339 -6.729 -14.487 1.00 0.00 C ATOM 1324 NZ LYS A 84 5.663 -6.397 -15.772 1.00 0.00 N ATOM 0 H LYS A 84 6.823 -3.367 -10.597 1.00 0.00 H new ATOM 0 HA LYS A 84 7.300 -1.250 -12.589 1.00 0.00 H new ATOM 0 HB2 LYS A 84 6.800 -2.879 -14.388 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.287 -3.265 -13.545 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.878 -4.887 -12.119 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.601 -4.644 -13.293 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.719 -5.154 -14.961 1.00 0.00 H new ATOM 0 HD3 LYS A 84 8.176 -6.110 -13.565 1.00 0.00 H new ATOM 0 HE2 LYS A 84 6.860 -7.681 -14.586 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.590 -6.855 -13.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.997 -7.156 -16.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 5.145 -5.501 -15.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 6.375 -6.302 -16.524 1.00 0.00 H new ATOM 1338 N ALA A 85 4.875 -0.818 -12.570 1.00 0.00 N ATOM 1339 CA ALA A 85 3.450 -0.515 -12.546 1.00 0.00 C ATOM 1340 C ALA A 85 2.751 -1.062 -13.786 1.00 0.00 C ATOM 1341 O ALA A 85 3.303 -1.031 -14.886 1.00 0.00 O ATOM 1342 CB ALA A 85 3.231 0.986 -12.433 1.00 0.00 C ATOM 0 H ALA A 85 5.469 -0.030 -12.826 1.00 0.00 H new ATOM 0 HA ALA A 85 3.016 -1.001 -11.672 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.162 1.197 -12.416 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.688 1.352 -11.514 1.00 0.00 H new ATOM 0 HB3 ALA A 85 3.686 1.486 -13.288 1.00 0.00 H new ATOM 1348 N VAL A 86 1.534 -1.565 -13.601 1.00 0.00 N ATOM 1349 CA VAL A 86 0.760 -2.118 -14.705 1.00 0.00 C ATOM 1350 C VAL A 86 -0.652 -1.545 -14.728 1.00 0.00 C ATOM 1351 O VAL A 86 -1.435 -1.754 -13.800 1.00 0.00 O ATOM 1352 CB VAL A 86 0.677 -3.654 -14.618 1.00 0.00 C ATOM 1353 CG1 VAL A 86 1.997 -4.284 -15.038 1.00 0.00 C ATOM 1354 CG2 VAL A 86 0.293 -4.088 -13.212 1.00 0.00 C ATOM 0 H VAL A 86 1.064 -1.601 -12.697 1.00 0.00 H new ATOM 0 HA VAL A 86 1.277 -1.840 -15.624 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.097 -3.999 -15.303 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.920 -5.369 -14.970 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.225 -4.000 -16.065 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.793 -3.935 -14.380 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.239 -5.176 -13.169 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.042 -3.734 -12.504 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.678 -3.666 -12.953 1.00 0.00 H new ATOM 1364 N LYS A 87 -0.974 -0.821 -15.794 1.00 0.00 N ATOM 1365 CA LYS A 87 -2.293 -0.217 -15.941 1.00 0.00 C ATOM 1366 C LYS A 87 -3.239 -1.152 -16.689 1.00 0.00 C ATOM 1367 O LYS A 87 -2.829 -1.856 -17.612 1.00 0.00 O ATOM 1368 CB LYS A 87 -2.187 1.118 -16.682 1.00 0.00 C ATOM 1369 CG LYS A 87 -1.583 0.996 -18.070 1.00 0.00 C ATOM 1370 CD LYS A 87 -1.819 2.252 -18.892 1.00 0.00 C ATOM 1371 CE LYS A 87 -1.925 1.936 -20.376 1.00 0.00 C ATOM 1372 NZ LYS A 87 -1.662 3.135 -21.219 1.00 0.00 N ATOM 0 H LYS A 87 -0.338 -0.638 -16.570 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.697 -0.040 -14.944 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -3.181 1.558 -16.765 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.582 1.805 -16.091 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -0.512 0.810 -17.987 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.017 0.137 -18.583 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -2.734 2.741 -18.557 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -1.003 2.955 -18.726 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -1.215 1.150 -20.631 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -2.920 1.550 -20.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -1.744 2.878 -22.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -2.355 3.877 -20.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -0.703 3.489 -21.029 1.00 0.00 H new