USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=9 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 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.0225 X(o=-0.023,f=-0.023) USER MOD Single : A 51 ASN : amide:sc= -0.544 K(o=-0.54,f=-2.6) 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+ -176:sc= 0 (180deg=-0.0199) USER MOD Single : A 63 SER OG : rot 140:sc= -0.631 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.844 K(o=-0.84,f=-2.9!) 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= -0.618 K(o=-0.62,f=-2.1!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 151:sc= -0.182 (180deg=-0.786) 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 -5.567 0.960 -10.073 1.00 0.00 N ATOM 230 CA LEU A 19 -4.444 0.536 -10.902 1.00 0.00 C ATOM 231 C LEU A 19 -3.791 -0.720 -10.334 1.00 0.00 C ATOM 232 O LEU A 19 -3.886 -0.995 -9.137 1.00 0.00 O ATOM 233 CB LEU A 19 -3.410 1.658 -11.008 1.00 0.00 C ATOM 234 CG LEU A 19 -3.456 2.494 -12.288 1.00 0.00 C ATOM 235 CD1 LEU A 19 -3.208 3.962 -11.976 1.00 0.00 C ATOM 236 CD2 LEU A 19 -2.437 1.982 -13.296 1.00 0.00 C ATOM 0 HA LEU A 19 -4.826 0.307 -11.897 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.540 2.326 -10.157 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.416 1.219 -10.920 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.450 2.399 -12.725 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.244 4.541 -12.899 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.975 4.323 -11.290 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.227 4.075 -11.515 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.484 2.588 -14.201 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.437 2.046 -12.867 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.660 0.944 -13.543 1.00 0.00 H new ATOM 248 N LEU A 20 -3.127 -1.478 -11.199 1.00 0.00 N ATOM 249 CA LEU A 20 -2.455 -2.705 -10.783 1.00 0.00 C ATOM 250 C LEU A 20 -0.955 -2.478 -10.624 1.00 0.00 C ATOM 251 O LEU A 20 -0.373 -1.622 -11.292 1.00 0.00 O ATOM 252 CB LEU A 20 -2.709 -3.819 -11.800 1.00 0.00 C ATOM 253 CG LEU A 20 -2.385 -5.239 -11.335 1.00 0.00 C ATOM 254 CD1 LEU A 20 -3.152 -5.573 -10.066 1.00 0.00 C ATOM 255 CD2 LEU A 20 -2.702 -6.245 -12.433 1.00 0.00 C ATOM 0 H LEU A 20 -3.039 -1.265 -12.193 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.863 -3.003 -9.817 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.759 -3.784 -12.092 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.122 -3.608 -12.694 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.319 -5.295 -11.115 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.909 -6.587 -9.750 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.876 -4.872 -9.279 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.222 -5.500 -10.258 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.465 -7.250 -12.085 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.761 -6.188 -12.684 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.107 -6.018 -13.317 1.00 0.00 H new ATOM 267 N TYR A 21 -0.336 -3.250 -9.739 1.00 0.00 N ATOM 268 CA TYR A 21 1.097 -3.133 -9.493 1.00 0.00 C ATOM 269 C TYR A 21 1.754 -4.508 -9.438 1.00 0.00 C ATOM 270 O TYR A 21 1.114 -5.502 -9.094 1.00 0.00 O ATOM 271 CB TYR A 21 1.351 -2.382 -8.185 1.00 0.00 C ATOM 272 CG TYR A 21 1.494 -0.887 -8.363 1.00 0.00 C ATOM 273 CD1 TYR A 21 0.379 -0.059 -8.378 1.00 0.00 C ATOM 274 CD2 TYR A 21 2.746 -0.303 -8.514 1.00 0.00 C ATOM 275 CE1 TYR A 21 0.506 1.307 -8.542 1.00 0.00 C ATOM 276 CE2 TYR A 21 2.883 1.062 -8.676 1.00 0.00 C ATOM 277 CZ TYR A 21 1.760 1.863 -8.690 1.00 0.00 C ATOM 278 OH TYR A 21 1.890 3.223 -8.851 1.00 0.00 O ATOM 0 H TYR A 21 -0.803 -3.964 -9.180 1.00 0.00 H new ATOM 0 HA TYR A 21 1.537 -2.573 -10.318 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.530 -2.581 -7.496 1.00 0.00 H new ATOM 0 HB3 TYR A 21 2.257 -2.773 -7.722 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.604 -0.490 -8.259 1.00 0.00 H new ATOM 0 HD2 TYR A 21 3.627 -0.927 -8.505 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -0.372 1.936 -8.554 1.00 0.00 H new ATOM 0 HE2 TYR A 21 3.864 1.500 -8.791 1.00 0.00 H new ATOM 0 HH TYR A 21 2.839 3.453 -8.940 1.00 0.00 H new ATOM 288 N ARG A 22 3.038 -4.557 -9.780 1.00 0.00 N ATOM 289 CA ARG A 22 3.783 -5.810 -9.772 1.00 0.00 C ATOM 290 C ARG A 22 5.256 -5.564 -9.456 1.00 0.00 C ATOM 291 O ARG A 22 5.768 -4.462 -9.655 1.00 0.00 O ATOM 292 CB ARG A 22 3.651 -6.516 -11.122 1.00 0.00 C ATOM 293 CG ARG A 22 2.430 -7.416 -11.222 1.00 0.00 C ATOM 294 CD ARG A 22 2.213 -7.903 -12.646 1.00 0.00 C ATOM 295 NE ARG A 22 3.134 -8.979 -13.004 1.00 0.00 N ATOM 296 CZ ARG A 22 3.157 -9.560 -14.198 1.00 0.00 C ATOM 297 NH1 ARG A 22 2.314 -9.172 -15.144 1.00 0.00 N ATOM 298 NH2 ARG A 22 4.025 -10.532 -14.447 1.00 0.00 N ATOM 0 H ARG A 22 3.583 -3.744 -10.066 1.00 0.00 H new ATOM 0 HA ARG A 22 3.363 -6.448 -8.994 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.605 -5.766 -11.912 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.546 -7.112 -11.300 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.552 -8.272 -10.558 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.548 -6.873 -10.883 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.187 -8.253 -12.757 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.342 -7.070 -13.337 1.00 0.00 H new ATOM 0 HE ARG A 22 3.796 -9.302 -12.298 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.645 -8.425 -14.956 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.334 -9.620 -16.060 1.00 0.00 H new ATOM 0 HH21 ARG A 22 4.675 -10.833 -13.721 1.00 0.00 H new ATOM 0 HH22 ARG A 22 4.042 -10.978 -15.364 1.00 0.00 H new ATOM 312 N ILE A 23 5.930 -6.597 -8.962 1.00 0.00 N ATOM 313 CA ILE A 23 7.343 -6.493 -8.620 1.00 0.00 C ATOM 314 C ILE A 23 8.224 -6.957 -9.774 1.00 0.00 C ATOM 315 O ILE A 23 7.827 -7.808 -10.571 1.00 0.00 O ATOM 316 CB ILE A 23 7.681 -7.320 -7.366 1.00 0.00 C ATOM 317 CG1 ILE A 23 7.274 -8.781 -7.567 1.00 0.00 C ATOM 318 CG2 ILE A 23 6.989 -6.736 -6.143 1.00 0.00 C ATOM 319 CD1 ILE A 23 8.133 -9.759 -6.797 1.00 0.00 C ATOM 0 H ILE A 23 5.520 -7.515 -8.790 1.00 0.00 H new ATOM 0 HA ILE A 23 7.541 -5.441 -8.416 1.00 0.00 H new ATOM 0 HB ILE A 23 8.758 -7.281 -7.203 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.235 -8.905 -7.263 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.327 -9.022 -8.629 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.238 -7.332 -5.265 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.323 -5.709 -5.992 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.910 -6.748 -6.295 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.787 -10.775 -6.987 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.170 -9.663 -7.118 1.00 0.00 H new ATOM 0 HD13 ILE A 23 8.062 -9.545 -5.731 1.00 0.00 H new ATOM 331 N LYS A 24 9.425 -6.395 -9.858 1.00 0.00 N ATOM 332 CA LYS A 24 10.366 -6.753 -10.913 1.00 0.00 C ATOM 333 C LYS A 24 11.511 -7.595 -10.358 1.00 0.00 C ATOM 334 O LYS A 24 12.296 -7.126 -9.534 1.00 0.00 O ATOM 335 CB LYS A 24 10.923 -5.492 -11.577 1.00 0.00 C ATOM 336 CG LYS A 24 10.806 -5.500 -13.092 1.00 0.00 C ATOM 337 CD LYS A 24 12.126 -5.147 -13.755 1.00 0.00 C ATOM 338 CE LYS A 24 11.993 -5.095 -15.269 1.00 0.00 C ATOM 339 NZ LYS A 24 13.322 -5.060 -15.942 1.00 0.00 N ATOM 0 H LYS A 24 9.770 -5.689 -9.208 1.00 0.00 H new ATOM 0 HA LYS A 24 9.831 -7.343 -11.657 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.396 -4.622 -11.185 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.972 -5.380 -11.303 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.481 -6.485 -13.428 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.040 -4.789 -13.402 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.473 -4.182 -13.386 1.00 0.00 H new ATOM 0 HD3 LYS A 24 12.881 -5.884 -13.480 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.434 -5.964 -15.614 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.419 -4.213 -15.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.188 -5.025 -16.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 13.846 -4.217 -15.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.861 -5.914 -15.692 1.00 0.00 H new ATOM 583 N LEU A 41 7.276 -3.262 3.719 1.00 0.00 N ATOM 584 CA LEU A 41 5.909 -3.629 4.069 1.00 0.00 C ATOM 585 C LEU A 41 5.006 -3.602 2.840 1.00 0.00 C ATOM 586 O LEU A 41 4.037 -4.356 2.752 1.00 0.00 O ATOM 587 CB LEU A 41 5.363 -2.680 5.138 1.00 0.00 C ATOM 588 CG LEU A 41 4.001 -3.048 5.730 1.00 0.00 C ATOM 589 CD1 LEU A 41 4.138 -4.212 6.698 1.00 0.00 C ATOM 590 CD2 LEU A 41 3.379 -1.845 6.423 1.00 0.00 C ATOM 0 HA LEU A 41 5.922 -4.644 4.465 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.087 -2.625 5.951 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.292 -1.682 4.707 1.00 0.00 H new ATOM 0 HG LEU A 41 3.342 -3.354 4.917 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.160 -4.460 7.109 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.540 -5.078 6.172 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.812 -3.934 7.508 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.411 -2.125 6.838 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.035 -1.508 7.226 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.245 -1.039 5.702 1.00 0.00 H new ATOM 602 N VAL A 42 5.333 -2.730 1.891 1.00 0.00 N ATOM 603 CA VAL A 42 4.554 -2.607 0.665 1.00 0.00 C ATOM 604 C VAL A 42 5.056 -3.571 -0.404 1.00 0.00 C ATOM 605 O VAL A 42 4.270 -4.268 -1.046 1.00 0.00 O ATOM 606 CB VAL A 42 4.604 -1.171 0.110 1.00 0.00 C ATOM 607 CG1 VAL A 42 3.768 -1.059 -1.156 1.00 0.00 C ATOM 608 CG2 VAL A 42 4.132 -0.178 1.160 1.00 0.00 C ATOM 0 H VAL A 42 6.132 -2.099 1.948 1.00 0.00 H new ATOM 0 HA VAL A 42 3.523 -2.855 0.919 1.00 0.00 H new ATOM 0 HB VAL A 42 5.637 -0.933 -0.143 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.815 -0.038 -1.534 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.156 -1.743 -1.910 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.733 -1.316 -0.932 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.174 0.831 0.751 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.106 -0.411 1.446 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.777 -0.241 2.037 1.00 0.00 H new ATOM 618 N TYR A 43 6.371 -3.606 -0.591 1.00 0.00 N ATOM 619 CA TYR A 43 6.979 -4.484 -1.583 1.00 0.00 C ATOM 620 C TYR A 43 6.604 -5.940 -1.326 1.00 0.00 C ATOM 621 O TYR A 43 6.312 -6.690 -2.256 1.00 0.00 O ATOM 622 CB TYR A 43 8.501 -4.327 -1.570 1.00 0.00 C ATOM 623 CG TYR A 43 9.198 -5.092 -2.671 1.00 0.00 C ATOM 624 CD1 TYR A 43 9.448 -6.454 -2.548 1.00 0.00 C ATOM 625 CD2 TYR A 43 9.607 -4.455 -3.836 1.00 0.00 C ATOM 626 CE1 TYR A 43 10.085 -7.157 -3.551 1.00 0.00 C ATOM 627 CE2 TYR A 43 10.244 -5.150 -4.845 1.00 0.00 C ATOM 628 CZ TYR A 43 10.481 -6.501 -4.698 1.00 0.00 C ATOM 629 OH TYR A 43 11.116 -7.198 -5.701 1.00 0.00 O ATOM 0 H TYR A 43 7.036 -3.036 -0.068 1.00 0.00 H new ATOM 0 HA TYR A 43 6.599 -4.198 -2.564 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.749 -3.270 -1.660 1.00 0.00 H new ATOM 0 HB3 TYR A 43 8.884 -4.663 -0.607 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.138 -6.971 -1.652 1.00 0.00 H new ATOM 0 HD2 TYR A 43 9.423 -3.397 -3.955 1.00 0.00 H new ATOM 0 HE1 TYR A 43 10.272 -8.215 -3.438 1.00 0.00 H new ATOM 0 HE2 TYR A 43 10.555 -4.639 -5.744 1.00 0.00 H new ATOM 0 HH TYR A 43 11.327 -6.589 -6.439 1.00 0.00 H new ATOM 639 N GLN A 44 6.615 -6.331 -0.055 1.00 0.00 N ATOM 640 CA GLN A 44 6.277 -7.697 0.326 1.00 0.00 C ATOM 641 C GLN A 44 4.899 -8.084 -0.202 1.00 0.00 C ATOM 642 O GLN A 44 4.717 -9.171 -0.750 1.00 0.00 O ATOM 643 CB GLN A 44 6.315 -7.849 1.847 1.00 0.00 C ATOM 644 CG GLN A 44 7.715 -8.047 2.405 1.00 0.00 C ATOM 645 CD GLN A 44 8.252 -9.442 2.149 1.00 0.00 C ATOM 646 OE1 GLN A 44 7.806 -10.413 2.760 1.00 0.00 O ATOM 647 NE2 GLN A 44 9.216 -9.548 1.242 1.00 0.00 N ATOM 0 H GLN A 44 6.854 -5.721 0.727 1.00 0.00 H new ATOM 0 HA GLN A 44 7.016 -8.365 -0.117 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.873 -6.963 2.303 1.00 0.00 H new ATOM 0 HB3 GLN A 44 5.695 -8.698 2.134 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.387 -7.315 1.958 1.00 0.00 H new ATOM 0 HG3 GLN A 44 7.705 -7.857 3.478 1.00 0.00 H new ATOM 0 HE21 GLN A 44 9.556 -8.716 0.759 1.00 0.00 H new ATOM 0 HE22 GLN A 44 9.617 -10.461 1.028 1.00 0.00 H new ATOM 656 N ILE A 45 3.933 -7.188 -0.032 1.00 0.00 N ATOM 657 CA ILE A 45 2.572 -7.436 -0.492 1.00 0.00 C ATOM 658 C ILE A 45 2.521 -7.567 -2.010 1.00 0.00 C ATOM 659 O ILE A 45 1.846 -8.448 -2.544 1.00 0.00 O ATOM 660 CB ILE A 45 1.616 -6.312 -0.052 1.00 0.00 C ATOM 661 CG1 ILE A 45 1.623 -6.174 1.472 1.00 0.00 C ATOM 662 CG2 ILE A 45 0.208 -6.587 -0.558 1.00 0.00 C ATOM 663 CD1 ILE A 45 1.058 -4.859 1.962 1.00 0.00 C ATOM 0 H ILE A 45 4.067 -6.284 0.421 1.00 0.00 H new ATOM 0 HA ILE A 45 2.251 -8.373 -0.038 1.00 0.00 H new ATOM 0 HB ILE A 45 1.960 -5.372 -0.484 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.047 -6.992 1.905 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.646 -6.278 1.834 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.457 -5.784 -0.239 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.217 -6.640 -1.647 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.146 -7.534 -0.151 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.094 -4.831 3.051 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.648 -4.036 1.558 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.024 -4.761 1.631 1.00 0.00 H new ATOM 675 N ILE A 46 3.239 -6.687 -2.699 1.00 0.00 N ATOM 676 CA ILE A 46 3.277 -6.707 -4.156 1.00 0.00 C ATOM 677 C ILE A 46 3.957 -7.971 -4.672 1.00 0.00 C ATOM 678 O ILE A 46 3.569 -8.519 -5.702 1.00 0.00 O ATOM 679 CB ILE A 46 4.014 -5.476 -4.717 1.00 0.00 C ATOM 680 CG1 ILE A 46 3.368 -4.189 -4.201 1.00 0.00 C ATOM 681 CG2 ILE A 46 4.011 -5.504 -6.238 1.00 0.00 C ATOM 682 CD1 ILE A 46 4.199 -2.951 -4.455 1.00 0.00 C ATOM 0 H ILE A 46 3.802 -5.951 -2.272 1.00 0.00 H new ATOM 0 HA ILE A 46 2.242 -6.689 -4.498 1.00 0.00 H new ATOM 0 HB ILE A 46 5.049 -5.503 -4.375 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.394 -4.066 -4.674 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.192 -4.285 -3.130 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.535 -4.628 -6.619 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.512 -6.407 -6.586 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.983 -5.497 -6.600 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.679 -2.077 -4.063 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.164 -3.052 -3.958 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.354 -2.830 -5.527 1.00 0.00 H new ATOM 694 N GLU A 47 4.972 -8.428 -3.945 1.00 0.00 N ATOM 695 CA GLU A 47 5.706 -9.629 -4.329 1.00 0.00 C ATOM 696 C GLU A 47 4.842 -10.874 -4.150 1.00 0.00 C ATOM 697 O GLU A 47 5.012 -11.867 -4.858 1.00 0.00 O ATOM 698 CB GLU A 47 6.985 -9.759 -3.500 1.00 0.00 C ATOM 699 CG GLU A 47 7.822 -10.975 -3.858 1.00 0.00 C ATOM 700 CD GLU A 47 8.148 -11.835 -2.653 1.00 0.00 C ATOM 701 OE1 GLU A 47 8.794 -11.321 -1.715 1.00 0.00 O ATOM 702 OE2 GLU A 47 7.758 -13.021 -2.647 1.00 0.00 O ATOM 0 H GLU A 47 5.305 -7.986 -3.088 1.00 0.00 H new ATOM 0 HA GLU A 47 5.972 -9.540 -5.382 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.588 -8.861 -3.635 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.720 -9.809 -2.444 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.287 -11.575 -4.594 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.750 -10.647 -4.327 1.00 0.00 H new ATOM 709 N ASP A 48 3.916 -10.813 -3.199 1.00 0.00 N ATOM 710 CA ASP A 48 3.025 -11.935 -2.927 1.00 0.00 C ATOM 711 C ASP A 48 1.995 -12.094 -4.041 1.00 0.00 C ATOM 712 O ASP A 48 1.485 -13.188 -4.276 1.00 0.00 O ATOM 713 CB ASP A 48 2.318 -11.737 -1.585 1.00 0.00 C ATOM 714 CG ASP A 48 3.075 -12.367 -0.433 1.00 0.00 C ATOM 715 OD1 ASP A 48 4.323 -12.379 -0.479 1.00 0.00 O ATOM 716 OD2 ASP A 48 2.420 -12.850 0.515 1.00 0.00 O ATOM 0 H ASP A 48 3.763 -9.999 -2.604 1.00 0.00 H new ATOM 0 HA ASP A 48 3.626 -12.843 -2.882 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.196 -10.670 -1.396 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.318 -12.168 -1.638 1.00 0.00 H new ATOM 721 N ALA A 49 1.694 -10.993 -4.722 1.00 0.00 N ATOM 722 CA ALA A 49 0.726 -11.011 -5.812 1.00 0.00 C ATOM 723 C ALA A 49 1.176 -11.944 -6.931 1.00 0.00 C ATOM 724 O ALA A 49 0.356 -12.604 -7.569 1.00 0.00 O ATOM 725 CB ALA A 49 0.511 -9.604 -6.350 1.00 0.00 C ATOM 0 H ALA A 49 2.106 -10.078 -4.538 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.219 -11.387 -5.419 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.214 -9.632 -7.163 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.136 -8.963 -5.552 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.456 -9.208 -6.720 1.00 0.00 H new ATOM 731 N GLY A 50 2.484 -11.994 -7.164 1.00 0.00 N ATOM 732 CA GLY A 50 3.019 -12.849 -8.208 1.00 0.00 C ATOM 733 C GLY A 50 2.993 -12.186 -9.570 1.00 0.00 C ATOM 734 O GLY A 50 3.624 -11.149 -9.776 1.00 0.00 O ATOM 0 H GLY A 50 3.182 -11.458 -6.649 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.045 -13.122 -7.960 1.00 0.00 H new ATOM 0 HA3 GLY A 50 2.443 -13.774 -8.246 1.00 0.00 H new ATOM 738 N ASN A 51 2.263 -12.786 -10.505 1.00 0.00 N ATOM 739 CA ASN A 51 2.159 -12.248 -11.857 1.00 0.00 C ATOM 740 C ASN A 51 0.865 -11.459 -12.030 1.00 0.00 C ATOM 741 O ASN A 51 0.794 -10.531 -12.837 1.00 0.00 O ATOM 742 CB ASN A 51 2.222 -13.379 -12.884 1.00 0.00 C ATOM 743 CG ASN A 51 1.154 -14.430 -12.653 1.00 0.00 C ATOM 744 OD1 ASN A 51 -0.040 -14.158 -12.783 1.00 0.00 O ATOM 745 ND2 ASN A 51 1.579 -15.640 -12.306 1.00 0.00 N ATOM 0 H ASN A 51 1.735 -13.645 -10.351 1.00 0.00 H new ATOM 0 HA ASN A 51 2.999 -11.573 -12.019 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.108 -12.964 -13.885 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.205 -13.849 -12.843 1.00 0.00 H new ATOM 0 HD21 ASN A 51 0.906 -16.388 -12.136 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.578 -15.821 -12.210 1.00 0.00 H new ATOM 752 N LYS A 52 -0.156 -11.833 -11.267 1.00 0.00 N ATOM 753 CA LYS A 52 -1.448 -11.160 -11.334 1.00 0.00 C ATOM 754 C LYS A 52 -1.337 -9.719 -10.846 1.00 0.00 C ATOM 755 O LYS A 52 -2.110 -8.854 -11.254 1.00 0.00 O ATOM 756 CB LYS A 52 -2.483 -11.915 -10.496 1.00 0.00 C ATOM 757 CG LYS A 52 -2.087 -12.074 -9.039 1.00 0.00 C ATOM 758 CD LYS A 52 -3.196 -11.617 -8.106 1.00 0.00 C ATOM 759 CE LYS A 52 -4.219 -12.719 -7.875 1.00 0.00 C ATOM 760 NZ LYS A 52 -5.615 -12.217 -8.010 1.00 0.00 N ATOM 0 H LYS A 52 -0.114 -12.599 -10.595 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.770 -11.149 -12.375 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.436 -11.388 -10.549 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.640 -12.902 -10.931 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.849 -13.118 -8.838 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.184 -11.497 -8.842 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.767 -11.311 -7.152 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.691 -10.742 -8.528 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.052 -13.525 -8.590 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.080 -13.141 -6.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -6.282 -12.998 -7.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.783 -11.465 -7.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.756 -11.837 -8.968 1.00 0.00 H new ATOM 774 N GLY A 53 -0.368 -9.468 -9.970 1.00 0.00 N ATOM 775 CA GLY A 53 -0.173 -8.131 -9.442 1.00 0.00 C ATOM 776 C GLY A 53 -1.201 -7.768 -8.388 1.00 0.00 C ATOM 777 O GLY A 53 -2.226 -8.436 -8.256 1.00 0.00 O ATOM 0 H GLY A 53 0.285 -10.167 -9.617 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.826 -8.056 -9.012 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.224 -7.410 -10.258 1.00 0.00 H new ATOM 781 N ILE A 54 -0.925 -6.707 -7.636 1.00 0.00 N ATOM 782 CA ILE A 54 -1.834 -6.258 -6.589 1.00 0.00 C ATOM 783 C ILE A 54 -2.302 -4.829 -6.843 1.00 0.00 C ATOM 784 O ILE A 54 -1.497 -3.944 -7.136 1.00 0.00 O ATOM 785 CB ILE A 54 -1.171 -6.329 -5.200 1.00 0.00 C ATOM 786 CG1 ILE A 54 -2.186 -5.985 -4.109 1.00 0.00 C ATOM 787 CG2 ILE A 54 0.024 -5.391 -5.135 1.00 0.00 C ATOM 788 CD1 ILE A 54 -2.151 -6.933 -2.930 1.00 0.00 C ATOM 0 H ILE A 54 -0.080 -6.143 -7.732 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.693 -6.928 -6.608 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.818 -7.347 -5.033 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.998 -4.971 -3.755 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.187 -5.991 -4.540 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.482 -5.453 -4.148 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.754 -5.679 -5.892 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.306 -4.368 -5.319 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.897 -6.628 -2.196 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.369 -7.945 -3.270 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.162 -6.909 -2.473 1.00 0.00 H new ATOM 800 N TRP A 55 -3.607 -4.611 -6.728 1.00 0.00 N ATOM 801 CA TRP A 55 -4.182 -3.288 -6.943 1.00 0.00 C ATOM 802 C TRP A 55 -3.811 -2.341 -5.808 1.00 0.00 C ATOM 803 O TRP A 55 -3.656 -2.762 -4.662 1.00 0.00 O ATOM 804 CB TRP A 55 -5.704 -3.385 -7.066 1.00 0.00 C ATOM 805 CG TRP A 55 -6.154 -4.317 -8.151 1.00 0.00 C ATOM 806 CD1 TRP A 55 -6.293 -5.672 -8.062 1.00 0.00 C ATOM 807 CD2 TRP A 55 -6.521 -3.960 -9.488 1.00 0.00 C ATOM 808 NE1 TRP A 55 -6.725 -6.180 -9.263 1.00 0.00 N ATOM 809 CE2 TRP A 55 -6.874 -5.151 -10.154 1.00 0.00 C ATOM 810 CE3 TRP A 55 -6.589 -2.752 -10.187 1.00 0.00 C ATOM 811 CZ2 TRP A 55 -7.286 -5.165 -11.484 1.00 0.00 C ATOM 812 CZ3 TRP A 55 -6.998 -2.768 -11.507 1.00 0.00 C ATOM 813 CH2 TRP A 55 -7.343 -3.968 -12.144 1.00 0.00 C ATOM 0 H TRP A 55 -4.287 -5.333 -6.487 1.00 0.00 H new ATOM 0 HA TRP A 55 -3.774 -2.889 -7.871 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -6.118 -3.720 -6.115 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -6.110 -2.392 -7.258 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -6.093 -6.258 -7.177 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -6.906 -7.165 -9.459 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -6.327 -1.822 -9.704 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -7.551 -6.088 -11.977 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -7.053 -1.840 -12.057 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -7.660 -3.947 -13.176 1.00 0.00 H new ATOM 824 N SER A 56 -3.670 -1.060 -6.133 1.00 0.00 N ATOM 825 CA SER A 56 -3.314 -0.054 -5.140 1.00 0.00 C ATOM 826 C SER A 56 -4.262 -0.109 -3.946 1.00 0.00 C ATOM 827 O SER A 56 -3.883 0.223 -2.823 1.00 0.00 O ATOM 828 CB SER A 56 -3.342 1.343 -5.765 1.00 0.00 C ATOM 829 OG SER A 56 -3.623 2.332 -4.789 1.00 0.00 O ATOM 0 H SER A 56 -3.797 -0.694 -7.077 1.00 0.00 H new ATOM 0 HA SER A 56 -2.304 -0.267 -4.789 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.382 1.554 -6.235 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.096 1.378 -6.551 1.00 0.00 H new ATOM 0 HG SER A 56 -3.634 3.216 -5.212 1.00 0.00 H new ATOM 835 N ARG A 57 -5.497 -0.531 -4.198 1.00 0.00 N ATOM 836 CA ARG A 57 -6.500 -0.629 -3.145 1.00 0.00 C ATOM 837 C ARG A 57 -6.232 -1.834 -2.249 1.00 0.00 C ATOM 838 O ARG A 57 -6.489 -1.795 -1.046 1.00 0.00 O ATOM 839 CB ARG A 57 -7.900 -0.734 -3.754 1.00 0.00 C ATOM 840 CG ARG A 57 -8.895 0.254 -3.167 1.00 0.00 C ATOM 841 CD ARG A 57 -9.456 1.180 -4.234 1.00 0.00 C ATOM 842 NE ARG A 57 -9.907 2.452 -3.674 1.00 0.00 N ATOM 843 CZ ARG A 57 -10.165 3.528 -4.409 1.00 0.00 C ATOM 844 NH1 ARG A 57 -10.019 3.486 -5.726 1.00 0.00 N ATOM 845 NH2 ARG A 57 -10.571 4.648 -3.826 1.00 0.00 N ATOM 0 H ARG A 57 -5.827 -0.810 -5.122 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.442 0.274 -2.537 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.832 -0.573 -4.830 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.276 -1.746 -3.607 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -9.711 -0.289 -2.690 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.408 0.844 -2.391 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.693 1.367 -4.989 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.289 0.690 -4.737 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.030 2.517 -2.664 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.708 2.626 -6.177 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.218 4.314 -6.288 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.685 4.683 -2.813 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.769 5.474 -4.391 1.00 0.00 H new ATOM 859 N ASP A 58 -5.715 -2.903 -2.844 1.00 0.00 N ATOM 860 CA ASP A 58 -5.411 -4.120 -2.099 1.00 0.00 C ATOM 861 C ASP A 58 -4.157 -3.940 -1.251 1.00 0.00 C ATOM 862 O ASP A 58 -4.194 -4.090 -0.029 1.00 0.00 O ATOM 863 CB ASP A 58 -5.228 -5.298 -3.058 1.00 0.00 C ATOM 864 CG ASP A 58 -6.541 -5.974 -3.402 1.00 0.00 C ATOM 865 OD1 ASP A 58 -7.368 -5.346 -4.097 1.00 0.00 O ATOM 866 OD2 ASP A 58 -6.740 -7.131 -2.978 1.00 0.00 O ATOM 0 H ASP A 58 -5.498 -2.952 -3.839 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.250 -4.328 -1.435 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.753 -4.947 -3.974 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.554 -6.027 -2.609 1.00 0.00 H new ATOM 871 N VAL A 59 -3.046 -3.617 -1.906 1.00 0.00 N ATOM 872 CA VAL A 59 -1.780 -3.416 -1.212 1.00 0.00 C ATOM 873 C VAL A 59 -1.924 -2.394 -0.090 1.00 0.00 C ATOM 874 O VAL A 59 -1.192 -2.435 0.899 1.00 0.00 O ATOM 875 CB VAL A 59 -0.678 -2.946 -2.180 1.00 0.00 C ATOM 876 CG1 VAL A 59 -1.111 -1.685 -2.912 1.00 0.00 C ATOM 877 CG2 VAL A 59 0.626 -2.717 -1.431 1.00 0.00 C ATOM 0 H VAL A 59 -2.998 -3.489 -2.917 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.495 -4.379 -0.788 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.512 -3.728 -2.921 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.319 -1.369 -3.591 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.018 -1.888 -3.481 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.306 -0.893 -2.189 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.394 -2.385 -2.130 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.477 -1.954 -0.667 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.943 -3.647 -0.959 1.00 0.00 H new ATOM 887 N ARG A 60 -2.874 -1.478 -0.250 1.00 0.00 N ATOM 888 CA ARG A 60 -3.115 -0.445 0.750 1.00 0.00 C ATOM 889 C ARG A 60 -3.816 -1.026 1.974 1.00 0.00 C ATOM 890 O ARG A 60 -3.485 -0.686 3.111 1.00 0.00 O ATOM 891 CB ARG A 60 -3.957 0.684 0.154 1.00 0.00 C ATOM 892 CG ARG A 60 -4.193 1.840 1.113 1.00 0.00 C ATOM 893 CD ARG A 60 -5.535 2.508 0.861 1.00 0.00 C ATOM 894 NE ARG A 60 -6.465 2.307 1.969 1.00 0.00 N ATOM 895 CZ ARG A 60 -7.615 2.959 2.092 1.00 0.00 C ATOM 896 NH1 ARG A 60 -7.977 3.850 1.178 1.00 0.00 N ATOM 897 NH2 ARG A 60 -8.407 2.721 3.129 1.00 0.00 N ATOM 0 H ARG A 60 -3.489 -1.430 -1.062 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.151 -0.044 1.062 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.462 1.061 -0.741 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -4.920 0.281 -0.160 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.154 1.476 2.140 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.394 2.573 1.004 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.384 3.576 0.704 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -5.971 2.110 -0.055 1.00 0.00 H new ATOM 0 HE ARG A 60 -6.217 1.628 2.689 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -7.371 4.035 0.379 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -8.861 4.350 1.275 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -8.133 2.036 3.833 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -9.290 3.223 3.222 1.00 0.00 H new ATOM 911 N TYR A 61 -4.785 -1.902 1.734 1.00 0.00 N ATOM 912 CA TYR A 61 -5.535 -2.527 2.817 1.00 0.00 C ATOM 913 C TYR A 61 -4.648 -3.476 3.617 1.00 0.00 C ATOM 914 O TYR A 61 -4.588 -3.403 4.845 1.00 0.00 O ATOM 915 CB TYR A 61 -6.739 -3.287 2.259 1.00 0.00 C ATOM 916 CG TYR A 61 -7.975 -3.184 3.124 1.00 0.00 C ATOM 917 CD1 TYR A 61 -8.485 -1.946 3.496 1.00 0.00 C ATOM 918 CD2 TYR A 61 -8.633 -4.324 3.569 1.00 0.00 C ATOM 919 CE1 TYR A 61 -9.613 -1.847 4.287 1.00 0.00 C ATOM 920 CE2 TYR A 61 -9.762 -4.234 4.359 1.00 0.00 C ATOM 921 CZ TYR A 61 -10.248 -2.994 4.716 1.00 0.00 C ATOM 922 OH TYR A 61 -11.373 -2.899 5.503 1.00 0.00 O ATOM 0 H TYR A 61 -5.070 -2.195 0.799 1.00 0.00 H new ATOM 0 HA TYR A 61 -5.887 -1.739 3.483 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -6.969 -2.906 1.264 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.473 -4.338 2.144 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -7.991 -1.046 3.161 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -8.255 -5.297 3.292 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -9.996 -0.877 4.568 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -10.262 -5.130 4.696 1.00 0.00 H new ATOM 0 HH TYR A 61 -11.699 -3.798 5.718 1.00 0.00 H new ATOM 932 N LYS A 62 -3.958 -4.367 2.912 1.00 0.00 N ATOM 933 CA LYS A 62 -3.071 -5.330 3.554 1.00 0.00 C ATOM 934 C LYS A 62 -1.940 -4.621 4.290 1.00 0.00 C ATOM 935 O LYS A 62 -1.411 -5.134 5.276 1.00 0.00 O ATOM 936 CB LYS A 62 -2.493 -6.293 2.514 1.00 0.00 C ATOM 937 CG LYS A 62 -3.492 -7.326 2.021 1.00 0.00 C ATOM 938 CD LYS A 62 -2.794 -8.570 1.498 1.00 0.00 C ATOM 939 CE LYS A 62 -3.527 -9.160 0.303 1.00 0.00 C ATOM 940 NZ LYS A 62 -4.903 -9.604 0.660 1.00 0.00 N ATOM 0 H LYS A 62 -3.996 -4.442 1.895 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.654 -5.896 4.280 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.127 -5.719 1.663 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.634 -6.807 2.945 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.165 -7.600 2.834 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -4.106 -6.892 1.231 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.772 -8.322 1.213 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.732 -9.314 2.292 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.580 -8.417 -0.493 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.962 -10.006 -0.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.345 -10.061 -0.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.856 -10.281 1.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -5.471 -8.780 0.944 1.00 0.00 H new ATOM 954 N SER A 63 -1.574 -3.439 3.806 1.00 0.00 N ATOM 955 CA SER A 63 -0.503 -2.660 4.417 1.00 0.00 C ATOM 956 C SER A 63 -1.041 -1.791 5.549 1.00 0.00 C ATOM 957 O SER A 63 -0.306 -1.412 6.460 1.00 0.00 O ATOM 958 CB SER A 63 0.183 -1.784 3.367 1.00 0.00 C ATOM 959 OG SER A 63 1.361 -1.192 3.887 1.00 0.00 O ATOM 0 H SER A 63 -2.003 -2.999 2.992 1.00 0.00 H new ATOM 0 HA SER A 63 0.227 -3.355 4.832 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.430 -2.386 2.492 1.00 0.00 H new ATOM 0 HB3 SER A 63 -0.503 -1.005 3.034 1.00 0.00 H new ATOM 0 HG SER A 63 2.063 -1.204 3.203 1.00 0.00 H new ATOM 965 N ASN A 64 -2.331 -1.478 5.484 1.00 0.00 N ATOM 966 CA ASN A 64 -2.970 -0.652 6.502 1.00 0.00 C ATOM 967 C ASN A 64 -2.364 0.748 6.526 1.00 0.00 C ATOM 968 O ASN A 64 -2.151 1.327 7.593 1.00 0.00 O ATOM 969 CB ASN A 64 -2.830 -1.304 7.879 1.00 0.00 C ATOM 970 CG ASN A 64 -4.078 -1.143 8.725 1.00 0.00 C ATOM 971 OD1 ASN A 64 -5.164 -1.574 8.337 1.00 0.00 O ATOM 972 ND2 ASN A 64 -3.928 -0.519 9.888 1.00 0.00 N ATOM 0 H ASN A 64 -2.954 -1.784 4.737 1.00 0.00 H new ATOM 0 HA ASN A 64 -4.028 -0.566 6.254 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.613 -2.365 7.755 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.981 -0.864 8.402 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.732 -0.381 10.500 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.009 -0.178 10.169 1.00 0.00 H new ATOM 979 N LEU A 65 -2.089 1.288 5.344 1.00 0.00 N ATOM 980 CA LEU A 65 -1.508 2.621 5.228 1.00 0.00 C ATOM 981 C LEU A 65 -2.413 3.541 4.415 1.00 0.00 C ATOM 982 O LEU A 65 -3.055 3.125 3.449 1.00 0.00 O ATOM 983 CB LEU A 65 -0.126 2.542 4.577 1.00 0.00 C ATOM 984 CG LEU A 65 0.868 1.579 5.228 1.00 0.00 C ATOM 985 CD1 LEU A 65 2.179 1.563 4.457 1.00 0.00 C ATOM 986 CD2 LEU A 65 1.107 1.960 6.682 1.00 0.00 C ATOM 0 H LEU A 65 -2.259 0.823 4.452 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.407 3.035 6.231 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.254 2.251 3.534 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.312 3.540 4.578 1.00 0.00 H new ATOM 0 HG LEU A 65 0.442 0.576 5.202 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.874 0.872 4.935 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.994 1.241 3.432 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.610 2.564 4.451 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.817 1.264 7.129 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.511 2.971 6.732 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.165 1.918 7.229 1.00 0.00 H new ATOM 998 N PRO A 66 -2.466 4.821 4.811 1.00 0.00 N ATOM 999 CA PRO A 66 -3.287 5.827 4.131 1.00 0.00 C ATOM 1000 C PRO A 66 -2.749 6.175 2.747 1.00 0.00 C ATOM 1001 O PRO A 66 -1.558 6.018 2.475 1.00 0.00 O ATOM 1002 CB PRO A 66 -3.201 7.041 5.058 1.00 0.00 C ATOM 1003 CG PRO A 66 -1.915 6.868 5.791 1.00 0.00 C ATOM 1004 CD PRO A 66 -1.727 5.385 5.953 1.00 0.00 C ATOM 0 HA PRO A 66 -4.304 5.475 3.961 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.212 7.973 4.492 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -4.047 7.075 5.745 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.087 7.308 5.235 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -1.948 7.365 6.760 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.673 5.108 5.926 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.125 5.031 6.904 1.00 0.00 H new ATOM 1012 N LEU A 67 -3.633 6.649 1.876 1.00 0.00 N ATOM 1013 CA LEU A 67 -3.246 7.020 0.519 1.00 0.00 C ATOM 1014 C LEU A 67 -2.061 7.979 0.533 1.00 0.00 C ATOM 1015 O LEU A 67 -1.156 7.878 -0.296 1.00 0.00 O ATOM 1016 CB LEU A 67 -4.427 7.662 -0.211 1.00 0.00 C ATOM 1017 CG LEU A 67 -5.122 8.813 0.518 1.00 0.00 C ATOM 1018 CD1 LEU A 67 -4.801 10.140 -0.152 1.00 0.00 C ATOM 1019 CD2 LEU A 67 -6.626 8.586 0.562 1.00 0.00 C ATOM 0 H LEU A 67 -4.622 6.786 2.085 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.949 6.113 -0.008 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.076 8.029 -1.176 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.167 6.888 -0.414 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.750 8.847 1.542 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.304 10.947 0.380 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.724 10.307 -0.131 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.145 10.118 -1.186 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.104 9.415 1.084 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.015 8.525 -0.455 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.838 7.655 1.088 1.00 0.00 H new ATOM 1031 N THR A 68 -2.070 8.909 1.483 1.00 0.00 N ATOM 1032 CA THR A 68 -0.996 9.886 1.607 1.00 0.00 C ATOM 1033 C THR A 68 0.360 9.200 1.729 1.00 0.00 C ATOM 1034 O THR A 68 1.387 9.763 1.351 1.00 0.00 O ATOM 1035 CB THR A 68 -1.207 10.802 2.828 1.00 0.00 C ATOM 1036 OG1 THR A 68 -0.054 11.628 3.026 1.00 0.00 O ATOM 1037 CG2 THR A 68 -1.469 9.980 4.081 1.00 0.00 C ATOM 0 H THR A 68 -2.810 9.006 2.178 1.00 0.00 H new ATOM 0 HA THR A 68 -1.014 10.491 0.701 1.00 0.00 H new ATOM 0 HB THR A 68 -2.076 11.432 2.637 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.197 12.208 3.803 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.615 10.648 4.930 1.00 0.00 H new ATOM 0 HG22 THR A 68 -2.364 9.374 3.938 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.616 9.329 4.274 1.00 0.00 H new ATOM 1045 N GLU A 69 0.355 7.980 2.259 1.00 0.00 N ATOM 1046 CA GLU A 69 1.586 7.218 2.431 1.00 0.00 C ATOM 1047 C GLU A 69 1.866 6.353 1.205 1.00 0.00 C ATOM 1048 O GLU A 69 2.901 6.498 0.553 1.00 0.00 O ATOM 1049 CB GLU A 69 1.498 6.338 3.680 1.00 0.00 C ATOM 1050 CG GLU A 69 1.615 7.114 4.980 1.00 0.00 C ATOM 1051 CD GLU A 69 3.052 7.440 5.338 1.00 0.00 C ATOM 1052 OE1 GLU A 69 3.921 6.561 5.161 1.00 0.00 O ATOM 1053 OE2 GLU A 69 3.307 8.573 5.796 1.00 0.00 O ATOM 0 H GLU A 69 -0.487 7.499 2.576 1.00 0.00 H new ATOM 0 HA GLU A 69 2.407 7.925 2.551 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.549 5.802 3.671 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.288 5.588 3.642 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.046 8.040 4.898 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.166 6.534 5.786 1.00 0.00 H new ATOM 1060 N ILE A 70 0.937 5.454 0.898 1.00 0.00 N ATOM 1061 CA ILE A 70 1.083 4.567 -0.249 1.00 0.00 C ATOM 1062 C ILE A 70 1.403 5.353 -1.516 1.00 0.00 C ATOM 1063 O ILE A 70 2.096 4.862 -2.405 1.00 0.00 O ATOM 1064 CB ILE A 70 -0.192 3.735 -0.483 1.00 0.00 C ATOM 1065 CG1 ILE A 70 -0.510 2.891 0.753 1.00 0.00 C ATOM 1066 CG2 ILE A 70 -0.028 2.848 -1.709 1.00 0.00 C ATOM 1067 CD1 ILE A 70 0.541 1.847 1.059 1.00 0.00 C ATOM 0 H ILE A 70 0.075 5.321 1.428 1.00 0.00 H new ATOM 0 HA ILE A 70 1.910 3.894 -0.024 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.025 4.415 -0.660 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.618 3.550 1.615 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.470 2.396 0.608 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.937 2.266 -1.861 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.156 3.469 -2.585 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.814 2.172 -1.559 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.250 1.287 1.947 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.633 1.165 0.214 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.499 2.336 1.236 1.00 0.00 H new ATOM 1079 N ASN A 71 0.894 6.579 -1.589 1.00 0.00 N ATOM 1080 CA ASN A 71 1.126 7.435 -2.746 1.00 0.00 C ATOM 1081 C ASN A 71 2.618 7.677 -2.953 1.00 0.00 C ATOM 1082 O ASN A 71 3.111 7.660 -4.082 1.00 0.00 O ATOM 1083 CB ASN A 71 0.402 8.772 -2.571 1.00 0.00 C ATOM 1084 CG ASN A 71 -1.048 8.705 -3.010 1.00 0.00 C ATOM 1085 OD1 ASN A 71 -1.435 7.826 -3.780 1.00 0.00 O ATOM 1086 ND2 ASN A 71 -1.858 9.637 -2.521 1.00 0.00 N ATOM 0 H ASN A 71 0.318 7.001 -0.861 1.00 0.00 H new ATOM 0 HA ASN A 71 0.732 6.928 -3.627 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.449 9.073 -1.524 1.00 0.00 H new ATOM 0 HB3 ASN A 71 0.918 9.540 -3.147 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.844 9.643 -2.781 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.494 10.347 -1.885 1.00 0.00 H new ATOM 1093 N LYS A 72 3.334 7.900 -1.856 1.00 0.00 N ATOM 1094 CA LYS A 72 4.771 8.142 -1.915 1.00 0.00 C ATOM 1095 C LYS A 72 5.541 6.829 -2.010 1.00 0.00 C ATOM 1096 O LYS A 72 6.560 6.744 -2.696 1.00 0.00 O ATOM 1097 CB LYS A 72 5.228 8.926 -0.683 1.00 0.00 C ATOM 1098 CG LYS A 72 6.737 9.059 -0.572 1.00 0.00 C ATOM 1099 CD LYS A 72 7.141 9.771 0.708 1.00 0.00 C ATOM 1100 CE LYS A 72 7.686 8.796 1.740 1.00 0.00 C ATOM 1101 NZ LYS A 72 8.571 9.473 2.729 1.00 0.00 N ATOM 0 H LYS A 72 2.942 7.918 -0.914 1.00 0.00 H new ATOM 0 HA LYS A 72 4.979 8.729 -2.809 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.785 9.922 -0.711 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.848 8.434 0.212 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.193 8.069 -0.599 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.119 9.609 -1.432 1.00 0.00 H new ATOM 0 HD2 LYS A 72 7.896 10.525 0.484 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.280 10.296 1.121 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.857 8.318 2.262 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.243 8.006 1.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.922 8.775 3.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 9.376 9.908 2.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.033 10.210 3.229 1.00 0.00 H new ATOM 1115 N ILE A 73 5.047 5.808 -1.318 1.00 0.00 N ATOM 1116 CA ILE A 73 5.688 4.499 -1.327 1.00 0.00 C ATOM 1117 C ILE A 73 5.652 3.878 -2.719 1.00 0.00 C ATOM 1118 O ILE A 73 6.692 3.566 -3.299 1.00 0.00 O ATOM 1119 CB ILE A 73 5.016 3.536 -0.330 1.00 0.00 C ATOM 1120 CG1 ILE A 73 5.065 4.116 1.085 1.00 0.00 C ATOM 1121 CG2 ILE A 73 5.690 2.173 -0.374 1.00 0.00 C ATOM 1122 CD1 ILE A 73 4.268 3.318 2.093 1.00 0.00 C ATOM 0 H ILE A 73 4.205 5.862 -0.744 1.00 0.00 H new ATOM 0 HA ILE A 73 6.725 4.654 -1.028 1.00 0.00 H new ATOM 0 HB ILE A 73 3.971 3.412 -0.615 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.103 4.166 1.413 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.688 5.138 1.063 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.204 1.504 0.336 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.607 1.758 -1.379 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.742 2.279 -0.111 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.348 3.787 3.074 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.222 3.289 1.789 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.659 2.302 2.144 1.00 0.00 H new ATOM 1134 N LEU A 74 4.447 3.703 -3.251 1.00 0.00 N ATOM 1135 CA LEU A 74 4.274 3.121 -4.578 1.00 0.00 C ATOM 1136 C LEU A 74 5.132 3.848 -5.608 1.00 0.00 C ATOM 1137 O LEU A 74 5.630 3.242 -6.557 1.00 0.00 O ATOM 1138 CB LEU A 74 2.803 3.176 -4.992 1.00 0.00 C ATOM 1139 CG LEU A 74 1.905 2.073 -4.431 1.00 0.00 C ATOM 1140 CD1 LEU A 74 0.466 2.277 -4.879 1.00 0.00 C ATOM 1141 CD2 LEU A 74 2.410 0.704 -4.861 1.00 0.00 C ATOM 0 H LEU A 74 3.576 3.956 -2.784 1.00 0.00 H new ATOM 0 HA LEU A 74 4.595 2.080 -4.536 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.396 4.139 -4.685 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.751 3.140 -6.080 1.00 0.00 H new ATOM 0 HG LEU A 74 1.936 2.124 -3.343 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.158 1.483 -4.470 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.107 3.242 -4.521 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.417 2.253 -5.968 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.759 -0.069 -4.453 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.409 0.641 -5.949 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.424 0.557 -4.490 1.00 0.00 H new ATOM 1153 N LYS A 75 5.304 5.151 -5.413 1.00 0.00 N ATOM 1154 CA LYS A 75 6.105 5.962 -6.322 1.00 0.00 C ATOM 1155 C LYS A 75 7.593 5.800 -6.028 1.00 0.00 C ATOM 1156 O LYS A 75 8.427 5.902 -6.927 1.00 0.00 O ATOM 1157 CB LYS A 75 5.709 7.436 -6.207 1.00 0.00 C ATOM 1158 CG LYS A 75 5.506 8.118 -7.548 1.00 0.00 C ATOM 1159 CD LYS A 75 4.066 7.999 -8.021 1.00 0.00 C ATOM 1160 CE LYS A 75 3.456 9.365 -8.296 1.00 0.00 C ATOM 1161 NZ LYS A 75 4.031 9.995 -9.516 1.00 0.00 N ATOM 0 H LYS A 75 4.899 5.668 -4.633 1.00 0.00 H new ATOM 0 HA LYS A 75 5.914 5.619 -7.339 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.789 7.512 -5.627 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.481 7.968 -5.651 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.778 9.170 -7.467 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.171 7.673 -8.288 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.028 7.393 -8.926 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.475 7.481 -7.266 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.377 9.264 -8.414 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.623 10.016 -7.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.589 10.924 -9.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.057 10.116 -9.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.850 9.386 -10.339 1.00 0.00 H new ATOM 1175 N ASN A 76 7.918 5.545 -4.765 1.00 0.00 N ATOM 1176 CA ASN A 76 9.306 5.367 -4.353 1.00 0.00 C ATOM 1177 C ASN A 76 9.929 4.161 -5.049 1.00 0.00 C ATOM 1178 O ASN A 76 10.912 4.290 -5.779 1.00 0.00 O ATOM 1179 CB ASN A 76 9.391 5.196 -2.835 1.00 0.00 C ATOM 1180 CG ASN A 76 10.454 6.081 -2.213 1.00 0.00 C ATOM 1181 OD1 ASN A 76 11.637 5.966 -2.530 1.00 0.00 O ATOM 1182 ND2 ASN A 76 10.034 6.970 -1.320 1.00 0.00 N ATOM 0 H ASN A 76 7.239 5.457 -4.009 1.00 0.00 H new ATOM 0 HA ASN A 76 9.863 6.258 -4.643 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.423 5.428 -2.391 1.00 0.00 H new ATOM 0 HB3 ASN A 76 9.607 4.154 -2.601 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.703 7.593 -0.867 1.00 0.00 H new ATOM 0 HD22 ASN A 76 9.043 7.030 -1.088 1.00 0.00 H new ATOM 1189 N LEU A 77 9.350 2.987 -4.817 1.00 0.00 N ATOM 1190 CA LEU A 77 9.848 1.756 -5.422 1.00 0.00 C ATOM 1191 C LEU A 77 9.992 1.911 -6.932 1.00 0.00 C ATOM 1192 O LEU A 77 10.919 1.371 -7.534 1.00 0.00 O ATOM 1193 CB LEU A 77 8.907 0.593 -5.104 1.00 0.00 C ATOM 1194 CG LEU A 77 9.113 -0.087 -3.751 1.00 0.00 C ATOM 1195 CD1 LEU A 77 7.901 -0.930 -3.386 1.00 0.00 C ATOM 1196 CD2 LEU A 77 10.372 -0.941 -3.769 1.00 0.00 C ATOM 0 H LEU A 77 8.536 2.862 -4.215 1.00 0.00 H new ATOM 0 HA LEU A 77 10.832 1.545 -5.002 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.881 0.959 -5.152 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.014 -0.159 -5.886 1.00 0.00 H new ATOM 0 HG LEU A 77 9.233 0.687 -2.993 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.067 -1.406 -2.420 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.018 -0.293 -3.330 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.748 -1.696 -4.146 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.502 -1.417 -2.797 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.281 -1.707 -4.539 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.236 -0.311 -3.983 1.00 0.00 H new ATOM 1208 N GLU A 78 9.071 2.654 -7.537 1.00 0.00 N ATOM 1209 CA GLU A 78 9.097 2.881 -8.977 1.00 0.00 C ATOM 1210 C GLU A 78 10.418 3.516 -9.404 1.00 0.00 C ATOM 1211 O GLU A 78 11.135 2.976 -10.246 1.00 0.00 O ATOM 1212 CB GLU A 78 7.929 3.775 -9.397 1.00 0.00 C ATOM 1213 CG GLU A 78 7.252 3.330 -10.682 1.00 0.00 C ATOM 1214 CD GLU A 78 7.399 4.343 -11.800 1.00 0.00 C ATOM 1215 OE1 GLU A 78 8.495 4.926 -11.934 1.00 0.00 O ATOM 1216 OE2 GLU A 78 6.416 4.553 -12.543 1.00 0.00 O ATOM 0 H GLU A 78 8.297 3.109 -7.052 1.00 0.00 H new ATOM 0 HA GLU A 78 9.001 1.915 -9.473 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.191 3.794 -8.595 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.291 4.796 -9.522 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.677 2.378 -11.001 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.193 3.158 -10.490 1.00 0.00 H new ATOM 1223 N SER A 79 10.731 4.666 -8.816 1.00 0.00 N ATOM 1224 CA SER A 79 11.962 5.378 -9.137 1.00 0.00 C ATOM 1225 C SER A 79 13.180 4.489 -8.905 1.00 0.00 C ATOM 1226 O SER A 79 14.163 4.557 -9.643 1.00 0.00 O ATOM 1227 CB SER A 79 12.076 6.650 -8.294 1.00 0.00 C ATOM 1228 OG SER A 79 12.082 7.806 -9.113 1.00 0.00 O ATOM 0 H SER A 79 10.149 5.124 -8.115 1.00 0.00 H new ATOM 0 HA SER A 79 11.930 5.652 -10.192 1.00 0.00 H new ATOM 0 HB2 SER A 79 11.243 6.701 -7.593 1.00 0.00 H new ATOM 0 HB3 SER A 79 12.990 6.616 -7.701 1.00 0.00 H new ATOM 0 HG SER A 79 12.154 8.605 -8.550 1.00 0.00 H new ATOM 1234 N LYS A 80 13.108 3.656 -7.873 1.00 0.00 N ATOM 1235 CA LYS A 80 14.203 2.751 -7.541 1.00 0.00 C ATOM 1236 C LYS A 80 14.362 1.675 -8.611 1.00 0.00 C ATOM 1237 O LYS A 80 15.364 0.961 -8.643 1.00 0.00 O ATOM 1238 CB LYS A 80 13.957 2.099 -6.179 1.00 0.00 C ATOM 1239 CG LYS A 80 13.536 3.082 -5.101 1.00 0.00 C ATOM 1240 CD LYS A 80 14.377 2.926 -3.845 1.00 0.00 C ATOM 1241 CE LYS A 80 13.584 3.279 -2.596 1.00 0.00 C ATOM 1242 NZ LYS A 80 12.413 2.378 -2.410 1.00 0.00 N ATOM 0 H LYS A 80 12.302 3.588 -7.251 1.00 0.00 H new ATOM 0 HA LYS A 80 15.123 3.334 -7.497 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.185 1.336 -6.285 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.866 1.590 -5.860 1.00 0.00 H new ATOM 0 HG2 LYS A 80 13.630 4.100 -5.479 1.00 0.00 H new ATOM 0 HG3 LYS A 80 12.485 2.928 -4.858 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.736 1.899 -3.771 1.00 0.00 H new ATOM 0 HD3 LYS A 80 15.256 3.567 -3.912 1.00 0.00 H new ATOM 0 HE2 LYS A 80 14.234 3.215 -1.723 1.00 0.00 H new ATOM 0 HE3 LYS A 80 13.241 4.311 -2.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 12.198 2.293 -1.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.589 2.773 -2.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 12.633 1.438 -2.797 1.00 0.00 H new ATOM 1256 N LYS A 81 13.369 1.566 -9.486 1.00 0.00 N ATOM 1257 CA LYS A 81 13.399 0.579 -10.559 1.00 0.00 C ATOM 1258 C LYS A 81 13.398 -0.838 -9.996 1.00 0.00 C ATOM 1259 O LYS A 81 14.010 -1.744 -10.563 1.00 0.00 O ATOM 1260 CB LYS A 81 14.635 0.789 -11.438 1.00 0.00 C ATOM 1261 CG LYS A 81 14.463 0.284 -12.860 1.00 0.00 C ATOM 1262 CD LYS A 81 15.798 -0.074 -13.490 1.00 0.00 C ATOM 1263 CE LYS A 81 15.917 0.484 -14.900 1.00 0.00 C ATOM 1264 NZ LYS A 81 16.480 -0.519 -15.847 1.00 0.00 N ATOM 0 H LYS A 81 12.532 2.149 -9.473 1.00 0.00 H new ATOM 0 HA LYS A 81 12.502 0.711 -11.165 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.875 1.852 -11.465 1.00 0.00 H new ATOM 0 HB3 LYS A 81 15.485 0.282 -10.982 1.00 0.00 H new ATOM 0 HG2 LYS A 81 13.813 -0.591 -12.860 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.969 1.048 -13.461 1.00 0.00 H new ATOM 0 HD2 LYS A 81 16.608 0.316 -12.874 1.00 0.00 H new ATOM 0 HD3 LYS A 81 15.910 -1.158 -13.516 1.00 0.00 H new ATOM 0 HE2 LYS A 81 14.935 0.802 -15.249 1.00 0.00 H new ATOM 0 HE3 LYS A 81 16.553 1.369 -14.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 16.545 -0.101 -16.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 17.428 -0.804 -15.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 15.860 -1.353 -15.878 1.00 0.00 H new ATOM 1278 N LEU A 82 12.705 -1.025 -8.878 1.00 0.00 N ATOM 1279 CA LEU A 82 12.623 -2.333 -8.238 1.00 0.00 C ATOM 1280 C LEU A 82 11.316 -3.033 -8.597 1.00 0.00 C ATOM 1281 O LEU A 82 11.235 -4.262 -8.583 1.00 0.00 O ATOM 1282 CB LEU A 82 12.736 -2.188 -6.719 1.00 0.00 C ATOM 1283 CG LEU A 82 14.135 -1.896 -6.176 1.00 0.00 C ATOM 1284 CD1 LEU A 82 14.095 -1.720 -4.666 1.00 0.00 C ATOM 1285 CD2 LEU A 82 15.100 -3.008 -6.560 1.00 0.00 C ATOM 0 H LEU A 82 12.192 -0.287 -8.396 1.00 0.00 H new ATOM 0 HA LEU A 82 13.452 -2.941 -8.601 1.00 0.00 H new ATOM 0 HB2 LEU A 82 12.069 -1.387 -6.400 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.373 -3.107 -6.258 1.00 0.00 H new ATOM 0 HG LEU A 82 14.489 -0.966 -6.621 1.00 0.00 H new ATOM 0 HD11 LEU A 82 15.100 -1.513 -4.297 1.00 0.00 H new ATOM 0 HD12 LEU A 82 13.437 -0.888 -4.414 1.00 0.00 H new ATOM 0 HD13 LEU A 82 13.720 -2.633 -4.203 1.00 0.00 H new ATOM 0 HD21 LEU A 82 16.091 -2.783 -6.165 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.750 -3.953 -6.145 1.00 0.00 H new ATOM 0 HD23 LEU A 82 15.152 -3.086 -7.646 1.00 0.00 H new ATOM 1297 N ILE A 83 10.297 -2.244 -8.919 1.00 0.00 N ATOM 1298 CA ILE A 83 8.996 -2.788 -9.286 1.00 0.00 C ATOM 1299 C ILE A 83 8.567 -2.306 -10.667 1.00 0.00 C ATOM 1300 O ILE A 83 9.240 -1.482 -11.286 1.00 0.00 O ATOM 1301 CB ILE A 83 7.914 -2.400 -8.260 1.00 0.00 C ATOM 1302 CG1 ILE A 83 7.795 -0.877 -8.164 1.00 0.00 C ATOM 1303 CG2 ILE A 83 8.235 -2.999 -6.899 1.00 0.00 C ATOM 1304 CD1 ILE A 83 6.718 -0.415 -7.208 1.00 0.00 C ATOM 0 H ILE A 83 10.347 -1.225 -8.933 1.00 0.00 H new ATOM 0 HA ILE A 83 9.101 -3.873 -9.300 1.00 0.00 H new ATOM 0 HB ILE A 83 6.957 -2.800 -8.594 1.00 0.00 H new ATOM 0 HG12 ILE A 83 8.753 -0.465 -7.846 1.00 0.00 H new ATOM 0 HG13 ILE A 83 7.587 -0.474 -9.155 1.00 0.00 H new ATOM 0 HG21 ILE A 83 7.461 -2.716 -6.185 1.00 0.00 H new ATOM 0 HG22 ILE A 83 8.274 -4.085 -6.980 1.00 0.00 H new ATOM 0 HG23 ILE A 83 9.200 -2.626 -6.556 1.00 0.00 H new ATOM 0 HD11 ILE A 83 6.690 0.675 -7.190 1.00 0.00 H new ATOM 0 HD12 ILE A 83 5.752 -0.797 -7.536 1.00 0.00 H new ATOM 0 HD13 ILE A 83 6.935 -0.789 -6.207 1.00 0.00 H new ATOM 1316 N LYS A 84 7.440 -2.824 -11.145 1.00 0.00 N ATOM 1317 CA LYS A 84 6.918 -2.446 -12.453 1.00 0.00 C ATOM 1318 C LYS A 84 5.410 -2.224 -12.393 1.00 0.00 C ATOM 1319 O LYS A 84 4.652 -3.135 -12.063 1.00 0.00 O ATOM 1320 CB LYS A 84 7.245 -3.525 -13.488 1.00 0.00 C ATOM 1321 CG LYS A 84 6.694 -4.895 -13.132 1.00 0.00 C ATOM 1322 CD LYS A 84 7.533 -6.007 -13.739 1.00 0.00 C ATOM 1323 CE LYS A 84 6.661 -7.125 -14.290 1.00 0.00 C ATOM 1324 NZ LYS A 84 7.425 -8.032 -15.191 1.00 0.00 N ATOM 0 H LYS A 84 6.871 -3.507 -10.646 1.00 0.00 H new ATOM 0 HA LYS A 84 7.394 -1.511 -12.750 1.00 0.00 H new ATOM 0 HB2 LYS A 84 6.845 -3.222 -14.456 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.327 -3.595 -13.598 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.668 -5.008 -12.048 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.666 -4.978 -13.486 1.00 0.00 H new ATOM 0 HD2 LYS A 84 8.154 -5.601 -14.538 1.00 0.00 H new ATOM 0 HD3 LYS A 84 8.208 -6.409 -12.983 1.00 0.00 H new ATOM 0 HE2 LYS A 84 6.244 -7.701 -13.464 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.821 -6.695 -14.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 6.796 -8.780 -15.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 7.802 -7.488 -15.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 8.212 -8.462 -14.664 1.00 0.00 H new ATOM 1338 N ALA A 85 4.982 -1.008 -12.715 1.00 0.00 N ATOM 1339 CA ALA A 85 3.565 -0.668 -12.701 1.00 0.00 C ATOM 1340 C ALA A 85 2.856 -1.219 -13.934 1.00 0.00 C ATOM 1341 O ALA A 85 3.408 -1.212 -15.034 1.00 0.00 O ATOM 1342 CB ALA A 85 3.384 0.840 -12.616 1.00 0.00 C ATOM 0 H ALA A 85 5.597 -0.242 -12.989 1.00 0.00 H new ATOM 0 HA ALA A 85 3.116 -1.127 -11.820 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.321 1.079 -12.606 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.848 1.211 -11.702 1.00 0.00 H new ATOM 0 HB3 ALA A 85 3.854 1.312 -13.479 1.00 0.00 H new ATOM 1348 N VAL A 86 1.630 -1.696 -13.743 1.00 0.00 N ATOM 1349 CA VAL A 86 0.846 -2.250 -14.839 1.00 0.00 C ATOM 1350 C VAL A 86 -0.556 -1.651 -14.870 1.00 0.00 C ATOM 1351 O VAL A 86 -1.342 -1.834 -13.940 1.00 0.00 O ATOM 1352 CB VAL A 86 0.735 -3.783 -14.732 1.00 0.00 C ATOM 1353 CG1 VAL A 86 2.043 -4.443 -15.141 1.00 0.00 C ATOM 1354 CG2 VAL A 86 0.341 -4.190 -13.320 1.00 0.00 C ATOM 0 H VAL A 86 1.159 -1.710 -12.839 1.00 0.00 H new ATOM 0 HA VAL A 86 1.368 -1.995 -15.761 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.044 -4.123 -15.415 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.946 -5.526 -15.059 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.278 -4.177 -16.172 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.844 -4.100 -14.486 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.267 -5.276 -13.262 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.096 -3.839 -12.616 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.623 -3.747 -13.069 1.00 0.00 H new ATOM 1364 N LYS A 87 -0.864 -0.935 -15.946 1.00 0.00 N ATOM 1365 CA LYS A 87 -2.172 -0.310 -16.101 1.00 0.00 C ATOM 1366 C LYS A 87 -3.213 -1.330 -16.551 1.00 0.00 C ATOM 1367 O LYS A 87 -2.884 -2.317 -17.209 1.00 0.00 O ATOM 1368 CB LYS A 87 -2.095 0.836 -17.112 1.00 0.00 C ATOM 1369 CG LYS A 87 -1.856 0.374 -18.539 1.00 0.00 C ATOM 1370 CD LYS A 87 -1.026 1.379 -19.320 1.00 0.00 C ATOM 1371 CE LYS A 87 -1.504 1.499 -20.759 1.00 0.00 C ATOM 1372 NZ LYS A 87 -0.369 1.480 -21.723 1.00 0.00 N ATOM 0 H LYS A 87 -0.225 -0.773 -16.724 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.474 0.087 -15.132 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -3.024 1.405 -17.074 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.293 1.514 -16.820 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.347 -0.590 -18.530 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.813 0.225 -19.039 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -1.081 2.353 -18.835 1.00 0.00 H new ATOM 0 HD3 LYS A 87 0.021 1.076 -19.307 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -2.186 0.679 -20.985 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -2.067 2.425 -20.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -0.736 1.564 -22.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 0.269 2.277 -21.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 0.153 0.586 -21.627 1.00 0.00 H new