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 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.0627 K(o=-0.063,f=-1) USER MOD Single : A 52 LYS NZ :NH3+ 150:sc= -0.0967 (180deg=-0.542) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 120:sc= -1.06 USER MOD Single : A 64 ASN : amide:sc= -0.934 K(o=-0.93,f=-3.4!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -1.16 K(o=-1.2,f=-3.3!) 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= -0.786 K(o=-0.79,f=-3.6!) 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 -5.650 0.900 -10.096 1.00 0.00 N ATOM 230 CA LEU A 19 -4.530 0.479 -10.931 1.00 0.00 C ATOM 231 C LEU A 19 -3.870 -0.774 -10.364 1.00 0.00 C ATOM 232 O LEU A 19 -3.958 -1.048 -9.166 1.00 0.00 O ATOM 233 CB LEU A 19 -3.500 1.605 -11.043 1.00 0.00 C ATOM 234 CG LEU A 19 -3.588 2.471 -12.300 1.00 0.00 C ATOM 235 CD1 LEU A 19 -3.503 3.946 -11.939 1.00 0.00 C ATOM 236 CD2 LEU A 19 -2.488 2.097 -13.283 1.00 0.00 C ATOM 0 HA LEU A 19 -4.916 0.247 -11.924 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.602 2.252 -10.172 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.504 1.165 -10.998 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.551 2.289 -12.776 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.567 4.547 -12.846 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.326 4.206 -11.273 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.555 4.144 -11.439 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.566 2.723 -14.172 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.515 2.250 -12.816 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.594 1.050 -13.567 1.00 0.00 H new ATOM 248 N LEU A 20 -3.208 -1.531 -11.232 1.00 0.00 N ATOM 249 CA LEU A 20 -2.530 -2.755 -10.818 1.00 0.00 C ATOM 250 C LEU A 20 -1.031 -2.520 -10.657 1.00 0.00 C ATOM 251 O LEU A 20 -0.453 -1.660 -11.322 1.00 0.00 O ATOM 252 CB LEU A 20 -2.777 -3.868 -11.838 1.00 0.00 C ATOM 253 CG LEU A 20 -2.440 -5.287 -11.378 1.00 0.00 C ATOM 254 CD1 LEU A 20 -3.198 -5.630 -10.105 1.00 0.00 C ATOM 255 CD2 LEU A 20 -2.754 -6.292 -12.476 1.00 0.00 C ATOM 0 H LEU A 20 -3.126 -1.319 -12.226 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.937 -3.058 -9.853 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.827 -3.841 -12.128 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.194 -3.649 -12.733 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.372 -5.335 -11.164 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.945 -6.643 -9.793 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.923 -4.929 -9.317 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.270 -5.564 -10.291 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.508 -7.296 -12.131 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.815 -6.242 -12.722 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.165 -6.058 -13.363 1.00 0.00 H new ATOM 267 N TYR A 21 -0.408 -3.291 -9.773 1.00 0.00 N ATOM 268 CA TYR A 21 1.023 -3.167 -9.525 1.00 0.00 C ATOM 269 C TYR A 21 1.682 -4.540 -9.437 1.00 0.00 C ATOM 270 O TYR A 21 1.051 -5.519 -9.037 1.00 0.00 O ATOM 271 CB TYR A 21 1.272 -2.385 -8.234 1.00 0.00 C ATOM 272 CG TYR A 21 1.409 -0.894 -8.445 1.00 0.00 C ATOM 273 CD1 TYR A 21 0.289 -0.074 -8.494 1.00 0.00 C ATOM 274 CD2 TYR A 21 2.659 -0.306 -8.597 1.00 0.00 C ATOM 275 CE1 TYR A 21 0.409 1.289 -8.688 1.00 0.00 C ATOM 276 CE2 TYR A 21 2.789 1.055 -8.790 1.00 0.00 C ATOM 277 CZ TYR A 21 1.661 1.849 -8.835 1.00 0.00 C ATOM 278 OH TYR A 21 1.786 3.205 -9.028 1.00 0.00 O ATOM 0 H TYR A 21 -0.872 -4.009 -9.216 1.00 0.00 H new ATOM 0 HA TYR A 21 1.465 -2.625 -10.361 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.451 -2.571 -7.542 1.00 0.00 H new ATOM 0 HB3 TYR A 21 2.179 -2.761 -7.761 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.693 -0.509 -8.378 1.00 0.00 H new ATOM 0 HD2 TYR A 21 3.544 -0.924 -8.564 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -0.472 1.912 -8.724 1.00 0.00 H new ATOM 0 HE2 TYR A 21 3.768 1.496 -8.905 1.00 0.00 H new ATOM 0 HH TYR A 21 2.734 3.437 -9.112 1.00 0.00 H new ATOM 288 N ARG A 22 2.955 -4.603 -9.813 1.00 0.00 N ATOM 289 CA ARG A 22 3.701 -5.856 -9.778 1.00 0.00 C ATOM 290 C ARG A 22 5.180 -5.600 -9.503 1.00 0.00 C ATOM 291 O ARG A 22 5.687 -4.506 -9.753 1.00 0.00 O ATOM 292 CB ARG A 22 3.539 -6.608 -11.100 1.00 0.00 C ATOM 293 CG ARG A 22 2.289 -7.471 -11.160 1.00 0.00 C ATOM 294 CD ARG A 22 2.041 -7.994 -12.567 1.00 0.00 C ATOM 295 NE ARG A 22 3.170 -8.771 -13.069 1.00 0.00 N ATOM 296 CZ ARG A 22 3.125 -9.501 -14.177 1.00 0.00 C ATOM 297 NH1 ARG A 22 2.013 -9.553 -14.897 1.00 0.00 N ATOM 298 NH2 ARG A 22 4.195 -10.181 -14.569 1.00 0.00 N ATOM 0 H ARG A 22 3.492 -3.802 -10.145 1.00 0.00 H new ATOM 0 HA ARG A 22 3.299 -6.467 -8.970 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.512 -5.887 -11.917 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.414 -7.239 -11.259 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.391 -8.310 -10.471 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.428 -6.890 -10.829 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.144 -8.614 -12.570 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.851 -7.156 -13.237 1.00 0.00 H new ATOM 0 HE ARG A 22 4.042 -8.752 -12.539 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.188 -9.031 -14.600 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.982 -10.115 -15.748 1.00 0.00 H new ATOM 0 HH21 ARG A 22 5.053 -10.143 -14.019 1.00 0.00 H new ATOM 0 HH22 ARG A 22 4.159 -10.742 -15.420 1.00 0.00 H new ATOM 312 N ILE A 23 5.865 -6.616 -8.988 1.00 0.00 N ATOM 313 CA ILE A 23 7.285 -6.501 -8.681 1.00 0.00 C ATOM 314 C ILE A 23 8.140 -6.847 -9.895 1.00 0.00 C ATOM 315 O ILE A 23 7.704 -7.572 -10.789 1.00 0.00 O ATOM 316 CB ILE A 23 7.683 -7.417 -7.509 1.00 0.00 C ATOM 317 CG1 ILE A 23 7.288 -8.864 -7.807 1.00 0.00 C ATOM 318 CG2 ILE A 23 7.032 -6.940 -6.219 1.00 0.00 C ATOM 319 CD1 ILE A 23 8.117 -9.884 -7.058 1.00 0.00 C ATOM 0 H ILE A 23 5.459 -7.527 -8.775 1.00 0.00 H new ATOM 0 HA ILE A 23 7.464 -5.464 -8.398 1.00 0.00 H new ATOM 0 HB ILE A 23 8.765 -7.374 -7.385 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.237 -9.005 -7.553 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.384 -9.045 -8.878 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.323 -7.598 -5.400 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.358 -5.923 -6.001 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.948 -6.957 -6.331 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.781 -10.888 -7.318 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.166 -9.771 -7.330 1.00 0.00 H new ATOM 0 HD13 ILE A 23 8.002 -9.730 -5.985 1.00 0.00 H new ATOM 331 N LYS A 24 9.361 -6.324 -9.920 1.00 0.00 N ATOM 332 CA LYS A 24 10.281 -6.580 -11.022 1.00 0.00 C ATOM 333 C LYS A 24 11.284 -7.668 -10.653 1.00 0.00 C ATOM 334 O LYS A 24 12.025 -7.537 -9.678 1.00 0.00 O ATOM 335 CB LYS A 24 11.022 -5.296 -11.403 1.00 0.00 C ATOM 336 CG LYS A 24 11.148 -5.089 -12.902 1.00 0.00 C ATOM 337 CD LYS A 24 11.094 -3.615 -13.268 1.00 0.00 C ATOM 338 CE LYS A 24 10.947 -3.418 -14.769 1.00 0.00 C ATOM 339 NZ LYS A 24 11.738 -2.254 -15.256 1.00 0.00 N ATOM 0 H LYS A 24 9.737 -5.720 -9.189 1.00 0.00 H new ATOM 0 HA LYS A 24 9.698 -6.924 -11.877 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.500 -4.443 -10.969 1.00 0.00 H new ATOM 0 HB3 LYS A 24 12.019 -5.317 -10.963 1.00 0.00 H new ATOM 0 HG2 LYS A 24 12.087 -5.517 -13.252 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.345 -5.621 -13.412 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.257 -3.142 -12.754 1.00 0.00 H new ATOM 0 HD3 LYS A 24 12.001 -3.120 -12.922 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.272 -4.320 -15.287 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.895 -3.271 -15.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.611 -2.154 -16.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.411 -1.389 -14.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.745 -2.406 -15.045 1.00 0.00 H new ATOM 583 N LEU A 41 7.288 -3.242 3.740 1.00 0.00 N ATOM 584 CA LEU A 41 5.938 -3.680 4.079 1.00 0.00 C ATOM 585 C LEU A 41 5.049 -3.711 2.840 1.00 0.00 C ATOM 586 O LEU A 41 4.087 -4.477 2.772 1.00 0.00 O ATOM 587 CB LEU A 41 5.331 -2.754 5.134 1.00 0.00 C ATOM 588 CG LEU A 41 3.899 -3.075 5.563 1.00 0.00 C ATOM 589 CD1 LEU A 41 3.872 -4.304 6.459 1.00 0.00 C ATOM 590 CD2 LEU A 41 3.275 -1.882 6.274 1.00 0.00 C ATOM 0 HA LEU A 41 6.000 -4.690 4.484 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.968 -2.777 6.018 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.354 -1.734 4.750 1.00 0.00 H new ATOM 0 HG LEU A 41 3.312 -3.289 4.669 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.844 -4.517 6.754 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.278 -5.158 5.917 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.474 -4.119 7.349 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.256 -2.128 6.572 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.863 -1.637 7.159 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.259 -1.025 5.601 1.00 0.00 H new ATOM 602 N VAL A 42 5.377 -2.874 1.861 1.00 0.00 N ATOM 603 CA VAL A 42 4.610 -2.808 0.623 1.00 0.00 C ATOM 604 C VAL A 42 5.196 -3.734 -0.437 1.00 0.00 C ATOM 605 O VAL A 42 4.466 -4.445 -1.127 1.00 0.00 O ATOM 606 CB VAL A 42 4.565 -1.372 0.066 1.00 0.00 C ATOM 607 CG1 VAL A 42 3.739 -1.319 -1.209 1.00 0.00 C ATOM 608 CG2 VAL A 42 4.013 -0.414 1.110 1.00 0.00 C ATOM 0 H VAL A 42 6.169 -2.232 1.901 1.00 0.00 H new ATOM 0 HA VAL A 42 3.596 -3.129 0.862 1.00 0.00 H new ATOM 0 HB VAL A 42 5.582 -1.062 -0.177 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.719 -0.297 -1.587 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.183 -1.974 -1.958 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.721 -1.648 -0.997 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.988 0.596 0.700 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.003 -0.719 1.386 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.651 -0.431 1.993 1.00 0.00 H new ATOM 618 N TYR A 43 6.519 -3.720 -0.561 1.00 0.00 N ATOM 619 CA TYR A 43 7.204 -4.557 -1.538 1.00 0.00 C ATOM 620 C TYR A 43 6.886 -6.032 -1.311 1.00 0.00 C ATOM 621 O TYR A 43 6.879 -6.828 -2.249 1.00 0.00 O ATOM 622 CB TYR A 43 8.715 -4.333 -1.463 1.00 0.00 C ATOM 623 CG TYR A 43 9.495 -5.112 -2.498 1.00 0.00 C ATOM 624 CD1 TYR A 43 9.744 -4.578 -3.756 1.00 0.00 C ATOM 625 CD2 TYR A 43 9.983 -6.382 -2.218 1.00 0.00 C ATOM 626 CE1 TYR A 43 10.456 -5.286 -4.705 1.00 0.00 C ATOM 627 CE2 TYR A 43 10.696 -7.097 -3.160 1.00 0.00 C ATOM 628 CZ TYR A 43 10.930 -6.545 -4.402 1.00 0.00 C ATOM 629 OH TYR A 43 11.640 -7.255 -5.343 1.00 0.00 O ATOM 0 H TYR A 43 7.138 -3.138 0.003 1.00 0.00 H new ATOM 0 HA TYR A 43 6.850 -4.276 -2.530 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.923 -3.270 -1.588 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.066 -4.612 -0.470 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.375 -3.592 -3.996 1.00 0.00 H new ATOM 0 HD2 TYR A 43 9.802 -6.818 -1.247 1.00 0.00 H new ATOM 0 HE1 TYR A 43 10.640 -4.856 -5.678 1.00 0.00 H new ATOM 0 HE2 TYR A 43 11.068 -8.083 -2.925 1.00 0.00 H new ATOM 0 HH TYR A 43 11.902 -8.122 -4.969 1.00 0.00 H new ATOM 639 N GLN A 44 6.622 -6.387 -0.058 1.00 0.00 N ATOM 640 CA GLN A 44 6.302 -7.765 0.294 1.00 0.00 C ATOM 641 C GLN A 44 4.919 -8.151 -0.218 1.00 0.00 C ATOM 642 O GLN A 44 4.716 -9.262 -0.710 1.00 0.00 O ATOM 643 CB GLN A 44 6.369 -7.956 1.810 1.00 0.00 C ATOM 644 CG GLN A 44 7.785 -8.114 2.342 1.00 0.00 C ATOM 645 CD GLN A 44 8.317 -9.524 2.174 1.00 0.00 C ATOM 646 OE1 GLN A 44 7.937 -10.435 2.910 1.00 0.00 O ATOM 647 NE2 GLN A 44 9.201 -9.711 1.201 1.00 0.00 N ATOM 0 H GLN A 44 6.623 -5.740 0.730 1.00 0.00 H new ATOM 0 HA GLN A 44 7.039 -8.414 -0.180 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.900 -7.101 2.297 1.00 0.00 H new ATOM 0 HB3 GLN A 44 5.787 -8.836 2.083 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.444 -7.417 1.824 1.00 0.00 H new ATOM 0 HG3 GLN A 44 7.804 -7.846 3.398 1.00 0.00 H new ATOM 0 HE21 GLN A 44 9.488 -8.927 0.615 1.00 0.00 H new ATOM 0 HE22 GLN A 44 9.593 -10.639 1.040 1.00 0.00 H new ATOM 656 N ILE A 45 3.970 -7.228 -0.099 1.00 0.00 N ATOM 657 CA ILE A 45 2.606 -7.473 -0.551 1.00 0.00 C ATOM 658 C ILE A 45 2.541 -7.578 -2.071 1.00 0.00 C ATOM 659 O ILE A 45 1.892 -8.472 -2.614 1.00 0.00 O ATOM 660 CB ILE A 45 1.651 -6.359 -0.083 1.00 0.00 C ATOM 661 CG1 ILE A 45 1.722 -6.201 1.437 1.00 0.00 C ATOM 662 CG2 ILE A 45 0.226 -6.664 -0.523 1.00 0.00 C ATOM 663 CD1 ILE A 45 0.931 -5.022 1.960 1.00 0.00 C ATOM 0 H ILE A 45 4.121 -6.304 0.306 1.00 0.00 H new ATOM 0 HA ILE A 45 2.292 -8.419 -0.111 1.00 0.00 H new ATOM 0 HB ILE A 45 1.960 -5.420 -0.542 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.353 -7.113 1.907 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.765 -6.089 1.734 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.437 -5.868 -0.185 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.187 -6.731 -1.610 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.094 -7.611 -0.089 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.027 -4.972 3.045 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.315 -4.102 1.519 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.119 -5.142 1.694 1.00 0.00 H new ATOM 675 N ILE A 46 3.220 -6.660 -2.751 1.00 0.00 N ATOM 676 CA ILE A 46 3.241 -6.652 -4.209 1.00 0.00 C ATOM 677 C ILE A 46 3.963 -7.880 -4.755 1.00 0.00 C ATOM 678 O ILE A 46 3.568 -8.439 -5.777 1.00 0.00 O ATOM 679 CB ILE A 46 3.924 -5.384 -4.755 1.00 0.00 C ATOM 680 CG1 ILE A 46 3.258 -4.132 -4.180 1.00 0.00 C ATOM 681 CG2 ILE A 46 3.873 -5.367 -6.275 1.00 0.00 C ATOM 682 CD1 ILE A 46 3.978 -2.849 -4.532 1.00 0.00 C ATOM 0 H ILE A 46 3.762 -5.913 -2.317 1.00 0.00 H new ATOM 0 HA ILE A 46 2.203 -6.667 -4.540 1.00 0.00 H new ATOM 0 HB ILE A 46 4.969 -5.391 -4.447 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.233 -4.076 -4.545 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.206 -4.224 -3.095 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.360 -4.465 -6.645 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.389 -6.244 -6.666 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.834 -5.380 -6.604 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.450 -2.003 -4.091 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.996 -2.884 -4.143 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.007 -2.734 -5.615 1.00 0.00 H new ATOM 694 N GLU A 47 5.021 -8.293 -4.065 1.00 0.00 N ATOM 695 CA GLU A 47 5.797 -9.455 -4.481 1.00 0.00 C ATOM 696 C GLU A 47 4.961 -10.729 -4.390 1.00 0.00 C ATOM 697 O GLU A 47 5.028 -11.592 -5.265 1.00 0.00 O ATOM 698 CB GLU A 47 7.053 -9.594 -3.618 1.00 0.00 C ATOM 699 CG GLU A 47 7.853 -10.853 -3.905 1.00 0.00 C ATOM 700 CD GLU A 47 7.704 -11.899 -2.817 1.00 0.00 C ATOM 701 OE1 GLU A 47 7.726 -11.523 -1.626 1.00 0.00 O ATOM 702 OE2 GLU A 47 7.565 -13.093 -3.156 1.00 0.00 O ATOM 0 H GLU A 47 5.360 -7.841 -3.216 1.00 0.00 H new ATOM 0 HA GLU A 47 6.093 -9.308 -5.520 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.691 -8.724 -3.777 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.764 -9.589 -2.567 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.530 -11.275 -4.857 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.906 -10.593 -4.013 1.00 0.00 H new ATOM 709 N ASP A 48 4.174 -10.838 -3.325 1.00 0.00 N ATOM 710 CA ASP A 48 3.324 -12.004 -3.118 1.00 0.00 C ATOM 711 C ASP A 48 2.328 -12.161 -4.263 1.00 0.00 C ATOM 712 O ASP A 48 1.880 -13.267 -4.562 1.00 0.00 O ATOM 713 CB ASP A 48 2.578 -11.889 -1.788 1.00 0.00 C ATOM 714 CG ASP A 48 2.927 -13.009 -0.829 1.00 0.00 C ATOM 715 OD1 ASP A 48 3.145 -14.146 -1.298 1.00 0.00 O ATOM 716 OD2 ASP A 48 2.984 -12.749 0.391 1.00 0.00 O ATOM 0 H ASP A 48 4.107 -10.132 -2.592 1.00 0.00 H new ATOM 0 HA ASP A 48 3.962 -12.887 -3.092 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.814 -10.931 -1.324 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.504 -11.897 -1.975 1.00 0.00 H new ATOM 721 N ALA A 49 1.987 -11.046 -4.900 1.00 0.00 N ATOM 722 CA ALA A 49 1.045 -11.059 -6.012 1.00 0.00 C ATOM 723 C ALA A 49 1.621 -11.806 -7.211 1.00 0.00 C ATOM 724 O ALA A 49 0.892 -12.456 -7.959 1.00 0.00 O ATOM 725 CB ALA A 49 0.670 -9.637 -6.404 1.00 0.00 C ATOM 0 H ALA A 49 2.349 -10.122 -4.665 1.00 0.00 H new ATOM 0 HA ALA A 49 0.146 -11.583 -5.688 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.034 -9.663 -7.236 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.209 -9.135 -5.554 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.566 -9.094 -6.704 1.00 0.00 H new ATOM 731 N GLY A 50 2.935 -11.707 -7.387 1.00 0.00 N ATOM 732 CA GLY A 50 3.587 -12.378 -8.497 1.00 0.00 C ATOM 733 C GLY A 50 3.165 -11.818 -9.841 1.00 0.00 C ATOM 734 O GLY A 50 3.363 -10.636 -10.119 1.00 0.00 O ATOM 0 H GLY A 50 3.560 -11.175 -6.781 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.668 -12.284 -8.391 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.355 -13.442 -8.461 1.00 0.00 H new ATOM 738 N ASN A 51 2.582 -12.670 -10.679 1.00 0.00 N ATOM 739 CA ASN A 51 2.133 -12.254 -12.002 1.00 0.00 C ATOM 740 C ASN A 51 0.732 -11.652 -11.937 1.00 0.00 C ATOM 741 O ASN A 51 0.368 -10.809 -12.757 1.00 0.00 O ATOM 742 CB ASN A 51 2.145 -13.444 -12.965 1.00 0.00 C ATOM 743 CG ASN A 51 1.925 -13.024 -14.405 1.00 0.00 C ATOM 744 OD1 ASN A 51 0.827 -12.613 -14.783 1.00 0.00 O ATOM 745 ND2 ASN A 51 2.970 -13.126 -15.218 1.00 0.00 N ATOM 0 H ASN A 51 2.410 -13.652 -10.465 1.00 0.00 H new ATOM 0 HA ASN A 51 2.820 -11.491 -12.368 1.00 0.00 H new ATOM 0 HB2 ASN A 51 3.099 -13.965 -12.883 1.00 0.00 H new ATOM 0 HB3 ASN A 51 1.369 -14.152 -12.673 1.00 0.00 H new ATOM 0 HD21 ASN A 51 2.881 -12.859 -16.198 1.00 0.00 H new ATOM 0 HD22 ASN A 51 3.861 -13.472 -14.862 1.00 0.00 H new ATOM 752 N LYS A 52 -0.049 -12.091 -10.956 1.00 0.00 N ATOM 753 CA LYS A 52 -1.409 -11.595 -10.781 1.00 0.00 C ATOM 754 C LYS A 52 -1.407 -10.107 -10.446 1.00 0.00 C ATOM 755 O LYS A 52 -2.333 -9.379 -10.803 1.00 0.00 O ATOM 756 CB LYS A 52 -2.120 -12.377 -9.675 1.00 0.00 C ATOM 757 CG LYS A 52 -2.081 -13.883 -9.872 1.00 0.00 C ATOM 758 CD LYS A 52 -3.207 -14.573 -9.121 1.00 0.00 C ATOM 759 CE LYS A 52 -4.150 -15.295 -10.071 1.00 0.00 C ATOM 760 NZ LYS A 52 -3.438 -16.312 -10.894 1.00 0.00 N ATOM 0 H LYS A 52 0.237 -12.790 -10.270 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.944 -11.737 -11.720 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.662 -12.133 -8.717 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.159 -12.053 -9.623 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.156 -14.114 -10.935 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.122 -14.271 -9.529 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.789 -15.286 -8.410 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.765 -13.837 -8.543 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.941 -15.780 -9.499 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.631 -14.569 -10.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.089 -17.089 -11.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.099 -15.872 -11.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.628 -16.686 -10.359 1.00 0.00 H new ATOM 774 N GLY A 53 -0.359 -9.661 -9.759 1.00 0.00 N ATOM 775 CA GLY A 53 -0.256 -8.262 -9.389 1.00 0.00 C ATOM 776 C GLY A 53 -1.248 -7.873 -8.310 1.00 0.00 C ATOM 777 O GLY A 53 -2.230 -8.578 -8.077 1.00 0.00 O ATOM 0 H GLY A 53 0.420 -10.244 -9.452 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.756 -8.055 -9.040 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.422 -7.643 -10.271 1.00 0.00 H new ATOM 781 N ILE A 54 -0.990 -6.749 -7.649 1.00 0.00 N ATOM 782 CA ILE A 54 -1.867 -6.269 -6.589 1.00 0.00 C ATOM 783 C ILE A 54 -2.337 -4.846 -6.867 1.00 0.00 C ATOM 784 O ILE A 54 -1.547 -3.983 -7.250 1.00 0.00 O ATOM 785 CB ILE A 54 -1.166 -6.308 -5.218 1.00 0.00 C ATOM 786 CG1 ILE A 54 -2.165 -5.999 -4.101 1.00 0.00 C ATOM 787 CG2 ILE A 54 -0.008 -5.321 -5.187 1.00 0.00 C ATOM 788 CD1 ILE A 54 -2.079 -6.955 -2.932 1.00 0.00 C ATOM 0 H ILE A 54 -0.181 -6.154 -7.829 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.729 -6.936 -6.566 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.769 -7.310 -5.058 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.995 -4.984 -3.743 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.175 -6.028 -4.510 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.477 -5.360 -4.212 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.713 -5.581 -5.962 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.384 -4.313 -5.365 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.816 -6.676 -2.179 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.279 -7.970 -3.276 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.080 -6.910 -2.498 1.00 0.00 H new ATOM 800 N TRP A 55 -3.629 -4.606 -6.670 1.00 0.00 N ATOM 801 CA TRP A 55 -4.205 -3.286 -6.898 1.00 0.00 C ATOM 802 C TRP A 55 -3.784 -2.312 -5.804 1.00 0.00 C ATOM 803 O TRP A 55 -3.556 -2.709 -4.661 1.00 0.00 O ATOM 804 CB TRP A 55 -5.731 -3.376 -6.959 1.00 0.00 C ATOM 805 CG TRP A 55 -6.230 -4.280 -8.045 1.00 0.00 C ATOM 806 CD1 TRP A 55 -6.475 -5.620 -7.948 1.00 0.00 C ATOM 807 CD2 TRP A 55 -6.542 -3.908 -9.392 1.00 0.00 C ATOM 808 NE1 TRP A 55 -6.922 -6.104 -9.154 1.00 0.00 N ATOM 809 CE2 TRP A 55 -6.972 -5.074 -10.056 1.00 0.00 C ATOM 810 CE3 TRP A 55 -6.503 -2.705 -10.101 1.00 0.00 C ATOM 811 CZ2 TRP A 55 -7.358 -5.069 -11.394 1.00 0.00 C ATOM 812 CZ3 TRP A 55 -6.885 -2.702 -11.429 1.00 0.00 C ATOM 813 CH2 TRP A 55 -7.309 -3.877 -12.064 1.00 0.00 C ATOM 0 H TRP A 55 -4.297 -5.309 -6.353 1.00 0.00 H new ATOM 0 HA TRP A 55 -3.832 -2.914 -7.852 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -6.105 -3.732 -5.999 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -6.141 -2.377 -7.110 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -6.338 -6.212 -7.055 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -7.175 -7.073 -9.346 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -6.180 -1.794 -9.620 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -7.684 -5.974 -11.885 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -6.856 -1.778 -11.987 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -7.603 -3.841 -13.103 1.00 0.00 H new ATOM 824 N SER A 56 -3.682 -1.036 -6.160 1.00 0.00 N ATOM 825 CA SER A 56 -3.284 -0.005 -5.208 1.00 0.00 C ATOM 826 C SER A 56 -4.147 -0.065 -3.951 1.00 0.00 C ATOM 827 O SER A 56 -3.695 0.278 -2.858 1.00 0.00 O ATOM 828 CB SER A 56 -3.392 1.380 -5.849 1.00 0.00 C ATOM 829 OG SER A 56 -3.695 2.368 -4.879 1.00 0.00 O ATOM 0 H SER A 56 -3.869 -0.691 -7.101 1.00 0.00 H new ATOM 0 HA SER A 56 -2.247 -0.187 -4.925 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.454 1.629 -6.345 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.166 1.370 -6.616 1.00 0.00 H new ATOM 0 HG SER A 56 -3.757 3.244 -5.313 1.00 0.00 H new ATOM 835 N ARG A 57 -5.390 -0.504 -4.115 1.00 0.00 N ATOM 836 CA ARG A 57 -6.318 -0.608 -2.995 1.00 0.00 C ATOM 837 C ARG A 57 -5.964 -1.797 -2.105 1.00 0.00 C ATOM 838 O ARG A 57 -5.924 -1.678 -0.880 1.00 0.00 O ATOM 839 CB ARG A 57 -7.753 -0.749 -3.504 1.00 0.00 C ATOM 840 CG ARG A 57 -8.454 0.582 -3.724 1.00 0.00 C ATOM 841 CD ARG A 57 -9.952 0.468 -3.488 1.00 0.00 C ATOM 842 NE ARG A 57 -10.269 0.266 -2.077 1.00 0.00 N ATOM 843 CZ ARG A 57 -11.500 0.053 -1.623 1.00 0.00 C ATOM 844 NH1 ARG A 57 -12.523 0.013 -2.466 1.00 0.00 N ATOM 845 NH2 ARG A 57 -11.709 -0.122 -0.325 1.00 0.00 N ATOM 0 H ARG A 57 -5.778 -0.794 -5.013 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.238 0.304 -2.404 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.744 -1.305 -4.442 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.327 -1.339 -2.789 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.035 1.331 -3.052 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.270 0.928 -4.741 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.445 1.372 -3.845 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.349 -0.363 -4.071 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.504 0.290 -1.403 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -12.366 0.146 -3.465 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -13.467 -0.151 -2.115 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.925 -0.093 0.326 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.654 -0.285 0.022 1.00 0.00 H new ATOM 859 N ASP A 58 -5.708 -2.941 -2.729 1.00 0.00 N ATOM 860 CA ASP A 58 -5.357 -4.151 -1.995 1.00 0.00 C ATOM 861 C ASP A 58 -4.090 -3.939 -1.172 1.00 0.00 C ATOM 862 O ASP A 58 -4.096 -4.101 0.048 1.00 0.00 O ATOM 863 CB ASP A 58 -5.163 -5.321 -2.960 1.00 0.00 C ATOM 864 CG ASP A 58 -6.462 -6.040 -3.267 1.00 0.00 C ATOM 865 OD1 ASP A 58 -7.503 -5.360 -3.381 1.00 0.00 O ATOM 866 OD2 ASP A 58 -6.438 -7.283 -3.392 1.00 0.00 O ATOM 0 H ASP A 58 -5.737 -3.056 -3.742 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.176 -4.384 -1.315 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.726 -4.954 -3.889 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.452 -6.028 -2.531 1.00 0.00 H new ATOM 871 N VAL A 59 -3.005 -3.576 -1.849 1.00 0.00 N ATOM 872 CA VAL A 59 -1.731 -3.342 -1.181 1.00 0.00 C ATOM 873 C VAL A 59 -1.871 -2.296 -0.080 1.00 0.00 C ATOM 874 O VAL A 59 -1.094 -2.277 0.875 1.00 0.00 O ATOM 875 CB VAL A 59 -0.651 -2.880 -2.177 1.00 0.00 C ATOM 876 CG1 VAL A 59 -1.113 -1.641 -2.929 1.00 0.00 C ATOM 877 CG2 VAL A 59 0.662 -2.618 -1.456 1.00 0.00 C ATOM 0 H VAL A 59 -2.983 -3.438 -2.859 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.427 -4.291 -0.740 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.487 -3.676 -2.903 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.337 -1.329 -3.628 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.026 -1.868 -3.479 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.307 -0.836 -2.220 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.413 -2.292 -2.175 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.516 -1.840 -0.706 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.999 -3.533 -0.969 1.00 0.00 H new ATOM 887 N ARG A 60 -2.867 -1.427 -0.221 1.00 0.00 N ATOM 888 CA ARG A 60 -3.109 -0.377 0.762 1.00 0.00 C ATOM 889 C ARG A 60 -3.812 -0.938 1.994 1.00 0.00 C ATOM 890 O ARG A 60 -3.478 -0.585 3.126 1.00 0.00 O ATOM 891 CB ARG A 60 -3.950 0.742 0.146 1.00 0.00 C ATOM 892 CG ARG A 60 -4.197 1.908 1.090 1.00 0.00 C ATOM 893 CD ARG A 60 -5.601 2.470 0.925 1.00 0.00 C ATOM 894 NE ARG A 60 -6.526 1.933 1.918 1.00 0.00 N ATOM 895 CZ ARG A 60 -7.802 2.292 2.004 1.00 0.00 C ATOM 896 NH1 ARG A 60 -8.301 3.184 1.159 1.00 0.00 N ATOM 897 NH2 ARG A 60 -8.582 1.759 2.936 1.00 0.00 N ATOM 0 H ARG A 60 -3.519 -1.429 -1.006 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.145 0.029 1.069 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.450 1.110 -0.750 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -4.909 0.332 -0.170 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.053 1.581 2.120 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.465 2.693 0.900 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.569 3.556 1.010 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -5.969 2.239 -0.075 1.00 0.00 H new ATOM 0 HE ARG A 60 -6.173 1.244 2.582 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -7.705 3.596 0.441 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -9.281 3.458 1.227 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -8.202 1.073 3.588 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -9.562 2.036 3.001 1.00 0.00 H new ATOM 911 N TYR A 61 -4.787 -1.811 1.767 1.00 0.00 N ATOM 912 CA TYR A 61 -5.540 -2.417 2.858 1.00 0.00 C ATOM 913 C TYR A 61 -4.647 -3.327 3.697 1.00 0.00 C ATOM 914 O TYR A 61 -4.578 -3.195 4.919 1.00 0.00 O ATOM 915 CB TYR A 61 -6.724 -3.214 2.308 1.00 0.00 C ATOM 916 CG TYR A 61 -7.993 -3.045 3.111 1.00 0.00 C ATOM 917 CD1 TYR A 61 -8.584 -1.796 3.260 1.00 0.00 C ATOM 918 CD2 TYR A 61 -8.603 -4.134 3.722 1.00 0.00 C ATOM 919 CE1 TYR A 61 -9.744 -1.637 3.994 1.00 0.00 C ATOM 920 CE2 TYR A 61 -9.763 -3.985 4.456 1.00 0.00 C ATOM 921 CZ TYR A 61 -10.329 -2.735 4.590 1.00 0.00 C ATOM 922 OH TYR A 61 -11.485 -2.580 5.321 1.00 0.00 O ATOM 0 H TYR A 61 -5.074 -2.115 0.837 1.00 0.00 H new ATOM 0 HA TYR A 61 -5.914 -1.616 3.496 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -6.911 -2.907 1.279 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.459 -4.271 2.282 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -8.129 -0.935 2.794 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -8.162 -5.115 3.621 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -10.190 -0.659 4.100 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -10.224 -4.843 4.923 1.00 0.00 H new ATOM 0 HH TYR A 61 -11.768 -3.450 5.673 1.00 0.00 H new ATOM 932 N LYS A 62 -3.962 -4.250 3.030 1.00 0.00 N ATOM 933 CA LYS A 62 -3.071 -5.182 3.711 1.00 0.00 C ATOM 934 C LYS A 62 -1.956 -4.436 4.437 1.00 0.00 C ATOM 935 O LYS A 62 -1.490 -4.870 5.491 1.00 0.00 O ATOM 936 CB LYS A 62 -2.469 -6.169 2.708 1.00 0.00 C ATOM 937 CG LYS A 62 -3.365 -7.359 2.414 1.00 0.00 C ATOM 938 CD LYS A 62 -2.559 -8.566 1.961 1.00 0.00 C ATOM 939 CE LYS A 62 -3.355 -9.441 1.006 1.00 0.00 C ATOM 940 NZ LYS A 62 -3.023 -10.884 1.168 1.00 0.00 N ATOM 0 H LYS A 62 -4.007 -4.373 2.018 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.656 -5.733 4.448 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.259 -5.644 1.776 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.515 -6.529 3.093 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.935 -7.615 3.307 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -4.086 -7.091 1.641 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.644 -8.231 1.472 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.260 -9.152 2.830 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.421 -9.292 1.180 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.153 -9.135 -0.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.586 -11.447 0.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.011 -11.031 0.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.239 -11.183 2.140 1.00 0.00 H new ATOM 954 N SER A 63 -1.534 -3.311 3.868 1.00 0.00 N ATOM 955 CA SER A 63 -0.472 -2.506 4.461 1.00 0.00 C ATOM 956 C SER A 63 -1.018 -1.628 5.583 1.00 0.00 C ATOM 957 O SER A 63 -0.285 -1.228 6.485 1.00 0.00 O ATOM 958 CB SER A 63 0.192 -1.635 3.393 1.00 0.00 C ATOM 959 OG SER A 63 1.350 -0.997 3.904 1.00 0.00 O ATOM 0 H SER A 63 -1.911 -2.936 2.997 1.00 0.00 H new ATOM 0 HA SER A 63 0.272 -3.182 4.882 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.460 -2.249 2.533 1.00 0.00 H new ATOM 0 HB3 SER A 63 -0.515 -0.884 3.040 1.00 0.00 H new ATOM 0 HG SER A 63 2.132 -1.272 3.382 1.00 0.00 H new ATOM 965 N ASN A 64 -2.313 -1.332 5.517 1.00 0.00 N ATOM 966 CA ASN A 64 -2.958 -0.501 6.527 1.00 0.00 C ATOM 967 C ASN A 64 -2.370 0.907 6.530 1.00 0.00 C ATOM 968 O ASN A 64 -2.166 1.504 7.587 1.00 0.00 O ATOM 969 CB ASN A 64 -2.806 -1.133 7.912 1.00 0.00 C ATOM 970 CG ASN A 64 -3.018 -2.634 7.889 1.00 0.00 C ATOM 971 OD1 ASN A 64 -2.104 -3.397 7.575 1.00 0.00 O ATOM 972 ND2 ASN A 64 -4.229 -3.065 8.223 1.00 0.00 N ATOM 0 H ASN A 64 -2.935 -1.655 4.776 1.00 0.00 H new ATOM 0 HA ASN A 64 -4.018 -0.432 6.282 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -1.811 -0.915 8.300 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.522 -0.678 8.596 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.432 -4.065 8.226 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.956 -2.396 8.476 1.00 0.00 H new ATOM 979 N LEU A 65 -2.099 1.431 5.340 1.00 0.00 N ATOM 980 CA LEU A 65 -1.535 2.770 5.204 1.00 0.00 C ATOM 981 C LEU A 65 -2.453 3.667 4.380 1.00 0.00 C ATOM 982 O LEU A 65 -3.091 3.231 3.422 1.00 0.00 O ATOM 983 CB LEU A 65 -0.153 2.698 4.552 1.00 0.00 C ATOM 984 CG LEU A 65 0.841 1.727 5.190 1.00 0.00 C ATOM 985 CD1 LEU A 65 2.159 1.737 4.432 1.00 0.00 C ATOM 986 CD2 LEU A 65 1.063 2.077 6.654 1.00 0.00 C ATOM 0 H LEU A 65 -2.260 0.950 4.455 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.438 3.200 6.201 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.281 2.420 3.506 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.285 3.696 4.565 1.00 0.00 H new ATOM 0 HG LEU A 65 0.423 0.722 5.137 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.854 1.040 4.901 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.987 1.437 3.398 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.583 2.741 4.453 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.773 1.376 7.092 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.459 3.090 6.730 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.116 2.017 7.190 1.00 0.00 H new ATOM 998 N PRO A 66 -2.520 4.952 4.758 1.00 0.00 N ATOM 999 CA PRO A 66 -3.354 5.938 4.066 1.00 0.00 C ATOM 1000 C PRO A 66 -2.823 6.273 2.676 1.00 0.00 C ATOM 1001 O PRO A 66 -1.633 6.116 2.401 1.00 0.00 O ATOM 1002 CB PRO A 66 -3.282 7.166 4.977 1.00 0.00 C ATOM 1003 CG PRO A 66 -1.993 7.019 5.709 1.00 0.00 C ATOM 1004 CD PRO A 66 -1.786 5.541 5.891 1.00 0.00 C ATOM 0 HA PRO A 66 -4.367 5.571 3.902 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.306 8.090 4.399 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -4.127 7.199 5.665 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.172 7.462 5.145 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.030 7.529 6.672 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.729 5.277 5.866 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.178 5.195 6.847 1.00 0.00 H new ATOM 1012 N LEU A 67 -3.712 6.737 1.804 1.00 0.00 N ATOM 1013 CA LEU A 67 -3.332 7.095 0.442 1.00 0.00 C ATOM 1014 C LEU A 67 -2.167 8.079 0.443 1.00 0.00 C ATOM 1015 O LEU A 67 -1.349 8.091 -0.478 1.00 0.00 O ATOM 1016 CB LEU A 67 -4.526 7.702 -0.298 1.00 0.00 C ATOM 1017 CG LEU A 67 -5.213 8.882 0.390 1.00 0.00 C ATOM 1018 CD1 LEU A 67 -5.165 10.118 -0.496 1.00 0.00 C ATOM 1019 CD2 LEU A 67 -6.651 8.531 0.742 1.00 0.00 C ATOM 0 H LEU A 67 -4.700 6.874 2.016 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.016 6.187 -0.072 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.190 8.027 -1.283 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.267 6.918 -0.456 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.678 9.101 1.314 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.659 10.948 0.010 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.127 10.382 -0.697 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.675 9.911 -1.437 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.124 9.383 1.231 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.199 8.285 -0.168 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.662 7.674 1.415 1.00 0.00 H new ATOM 1031 N THR A 68 -2.094 8.902 1.484 1.00 0.00 N ATOM 1032 CA THR A 68 -1.028 9.888 1.606 1.00 0.00 C ATOM 1033 C THR A 68 0.335 9.214 1.720 1.00 0.00 C ATOM 1034 O THR A 68 1.348 9.767 1.293 1.00 0.00 O ATOM 1035 CB THR A 68 -1.242 10.798 2.830 1.00 0.00 C ATOM 1036 OG1 THR A 68 -0.302 11.878 2.808 1.00 0.00 O ATOM 1037 CG2 THR A 68 -1.087 10.011 4.123 1.00 0.00 C ATOM 0 H THR A 68 -2.761 8.905 2.255 1.00 0.00 H new ATOM 0 HA THR A 68 -1.055 10.496 0.701 1.00 0.00 H new ATOM 0 HB THR A 68 -2.255 11.198 2.785 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.446 12.453 3.589 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.242 10.675 4.974 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.823 9.207 4.150 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.084 9.586 4.173 1.00 0.00 H new ATOM 1045 N GLU A 69 0.351 8.017 2.297 1.00 0.00 N ATOM 1046 CA GLU A 69 1.591 7.268 2.466 1.00 0.00 C ATOM 1047 C GLU A 69 1.874 6.402 1.242 1.00 0.00 C ATOM 1048 O GLU A 69 2.923 6.529 0.608 1.00 0.00 O ATOM 1049 CB GLU A 69 1.516 6.391 3.718 1.00 0.00 C ATOM 1050 CG GLU A 69 1.614 7.175 5.016 1.00 0.00 C ATOM 1051 CD GLU A 69 3.047 7.368 5.474 1.00 0.00 C ATOM 1052 OE1 GLU A 69 3.595 6.448 6.115 1.00 0.00 O ATOM 1053 OE2 GLU A 69 3.620 8.442 5.191 1.00 0.00 O ATOM 0 H GLU A 69 -0.479 7.545 2.655 1.00 0.00 H new ATOM 0 HA GLU A 69 2.405 7.983 2.580 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.577 5.837 3.708 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.320 5.656 3.685 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.144 8.150 4.884 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.055 6.655 5.794 1.00 0.00 H new ATOM 1060 N ILE A 70 0.934 5.522 0.916 1.00 0.00 N ATOM 1061 CA ILE A 70 1.082 4.636 -0.232 1.00 0.00 C ATOM 1062 C ILE A 70 1.438 5.420 -1.490 1.00 0.00 C ATOM 1063 O ILE A 70 2.141 4.920 -2.367 1.00 0.00 O ATOM 1064 CB ILE A 70 -0.204 3.829 -0.490 1.00 0.00 C ATOM 1065 CG1 ILE A 70 -0.563 2.992 0.740 1.00 0.00 C ATOM 1066 CG2 ILE A 70 -0.035 2.938 -1.712 1.00 0.00 C ATOM 1067 CD1 ILE A 70 0.462 1.930 1.069 1.00 0.00 C ATOM 0 H ILE A 70 0.061 5.403 1.431 1.00 0.00 H new ATOM 0 HA ILE A 70 1.892 3.947 0.005 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.019 4.526 -0.683 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.677 3.654 1.599 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.529 2.514 0.575 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.952 2.374 -1.881 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.178 3.555 -2.585 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.791 2.246 -1.546 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.142 1.376 1.952 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.560 1.245 0.227 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.424 2.402 1.266 1.00 0.00 H new ATOM 1079 N ASN A 71 0.948 6.653 -1.570 1.00 0.00 N ATOM 1080 CA ASN A 71 1.215 7.508 -2.721 1.00 0.00 C ATOM 1081 C ASN A 71 2.715 7.702 -2.917 1.00 0.00 C ATOM 1082 O ASN A 71 3.216 7.665 -4.042 1.00 0.00 O ATOM 1083 CB ASN A 71 0.533 8.866 -2.543 1.00 0.00 C ATOM 1084 CG ASN A 71 -0.869 8.889 -3.122 1.00 0.00 C ATOM 1085 OD1 ASN A 71 -1.222 8.055 -3.956 1.00 0.00 O ATOM 1086 ND2 ASN A 71 -1.676 9.847 -2.681 1.00 0.00 N ATOM 0 H ASN A 71 0.364 7.082 -0.852 1.00 0.00 H new ATOM 0 HA ASN A 71 0.810 7.019 -3.607 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.489 9.111 -1.482 1.00 0.00 H new ATOM 0 HB3 ASN A 71 1.134 9.637 -3.024 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.631 9.912 -3.034 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.341 10.517 -1.989 1.00 0.00 H new ATOM 1093 N LYS A 72 3.429 7.910 -1.816 1.00 0.00 N ATOM 1094 CA LYS A 72 4.872 8.108 -1.865 1.00 0.00 C ATOM 1095 C LYS A 72 5.602 6.773 -1.972 1.00 0.00 C ATOM 1096 O LYS A 72 6.625 6.667 -2.650 1.00 0.00 O ATOM 1097 CB LYS A 72 5.347 8.862 -0.620 1.00 0.00 C ATOM 1098 CG LYS A 72 6.858 8.965 -0.511 1.00 0.00 C ATOM 1099 CD LYS A 72 7.279 9.647 0.780 1.00 0.00 C ATOM 1100 CE LYS A 72 6.826 11.099 0.817 1.00 0.00 C ATOM 1101 NZ LYS A 72 7.864 11.989 1.406 1.00 0.00 N ATOM 0 H LYS A 72 3.031 7.946 -0.878 1.00 0.00 H new ATOM 0 HA LYS A 72 5.102 8.700 -2.751 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.923 9.866 -0.630 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.960 8.361 0.267 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.296 7.968 -0.556 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.248 9.523 -1.362 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.857 9.111 1.630 1.00 0.00 H new ATOM 0 HD3 LYS A 72 8.363 9.600 0.881 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.593 11.433 -0.194 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.907 11.178 1.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.517 12.969 1.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.068 11.687 2.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.733 11.933 0.837 1.00 0.00 H new ATOM 1115 N ILE A 73 5.069 5.757 -1.302 1.00 0.00 N ATOM 1116 CA ILE A 73 5.668 4.429 -1.325 1.00 0.00 C ATOM 1117 C ILE A 73 5.635 3.835 -2.729 1.00 0.00 C ATOM 1118 O ILE A 73 6.674 3.496 -3.297 1.00 0.00 O ATOM 1119 CB ILE A 73 4.950 3.470 -0.357 1.00 0.00 C ATOM 1120 CG1 ILE A 73 4.993 4.023 1.069 1.00 0.00 C ATOM 1121 CG2 ILE A 73 5.583 2.088 -0.414 1.00 0.00 C ATOM 1122 CD1 ILE A 73 4.147 3.239 2.047 1.00 0.00 C ATOM 0 H ILE A 73 4.223 5.828 -0.736 1.00 0.00 H new ATOM 0 HA ILE A 73 6.704 4.545 -1.006 1.00 0.00 H new ATOM 0 HB ILE A 73 3.907 3.383 -0.662 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.026 4.028 1.417 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.655 5.059 1.058 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.065 1.422 0.276 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.505 1.694 -1.427 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.633 2.157 -0.131 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.226 3.688 3.037 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.106 3.255 1.723 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.498 2.208 2.087 1.00 0.00 H new ATOM 1134 N LEU A 74 4.434 3.712 -3.285 1.00 0.00 N ATOM 1135 CA LEU A 74 4.265 3.161 -4.625 1.00 0.00 C ATOM 1136 C LEU A 74 5.132 3.907 -5.635 1.00 0.00 C ATOM 1137 O LEU A 74 5.599 3.328 -6.616 1.00 0.00 O ATOM 1138 CB LEU A 74 2.795 3.234 -5.045 1.00 0.00 C ATOM 1139 CG LEU A 74 1.893 2.114 -4.526 1.00 0.00 C ATOM 1140 CD1 LEU A 74 0.445 2.372 -4.916 1.00 0.00 C ATOM 1141 CD2 LEU A 74 2.357 0.765 -5.056 1.00 0.00 C ATOM 0 H LEU A 74 3.564 3.986 -2.829 1.00 0.00 H new ATOM 0 HA LEU A 74 4.580 2.118 -4.605 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.388 4.187 -4.707 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.749 3.236 -6.134 1.00 0.00 H new ATOM 0 HG LEU A 74 1.958 2.096 -3.438 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.183 1.565 -4.538 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.116 3.319 -4.487 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.363 2.418 -6.002 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.703 -0.020 -4.676 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.322 0.771 -6.145 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.379 0.577 -4.727 1.00 0.00 H new ATOM 1153 N LYS A 75 5.345 5.194 -5.387 1.00 0.00 N ATOM 1154 CA LYS A 75 6.159 6.020 -6.271 1.00 0.00 C ATOM 1155 C LYS A 75 7.643 5.837 -5.972 1.00 0.00 C ATOM 1156 O LYS A 75 8.490 6.031 -6.844 1.00 0.00 O ATOM 1157 CB LYS A 75 5.775 7.494 -6.123 1.00 0.00 C ATOM 1158 CG LYS A 75 4.579 7.899 -6.967 1.00 0.00 C ATOM 1159 CD LYS A 75 4.907 7.865 -8.450 1.00 0.00 C ATOM 1160 CE LYS A 75 5.279 9.245 -8.970 1.00 0.00 C ATOM 1161 NZ LYS A 75 5.208 9.316 -10.456 1.00 0.00 N ATOM 0 H LYS A 75 4.965 5.689 -4.580 1.00 0.00 H new ATOM 0 HA LYS A 75 5.972 5.704 -7.297 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.556 7.700 -5.075 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.629 8.113 -6.398 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.744 7.229 -6.762 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.258 8.902 -6.687 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.732 7.174 -8.626 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.049 7.485 -9.005 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.609 9.988 -8.539 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.288 9.497 -8.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.469 10.272 -10.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.866 8.624 -10.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.239 9.101 -10.768 1.00 0.00 H new ATOM 1175 N ASN A 76 7.952 5.462 -4.735 1.00 0.00 N ATOM 1176 CA ASN A 76 9.334 5.252 -4.322 1.00 0.00 C ATOM 1177 C ASN A 76 9.939 4.049 -5.038 1.00 0.00 C ATOM 1178 O ASN A 76 10.931 4.174 -5.758 1.00 0.00 O ATOM 1179 CB ASN A 76 9.411 5.050 -2.807 1.00 0.00 C ATOM 1180 CG ASN A 76 10.479 5.913 -2.162 1.00 0.00 C ATOM 1181 OD1 ASN A 76 11.673 5.643 -2.293 1.00 0.00 O ATOM 1182 ND2 ASN A 76 10.052 6.957 -1.461 1.00 0.00 N ATOM 0 H ASN A 76 7.263 5.297 -4.001 1.00 0.00 H new ATOM 0 HA ASN A 76 9.906 6.139 -4.593 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.443 5.282 -2.363 1.00 0.00 H new ATOM 0 HB3 ASN A 76 9.617 4.001 -2.593 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.724 7.574 -1.004 1.00 0.00 H new ATOM 0 HD22 ASN A 76 9.052 7.142 -1.380 1.00 0.00 H new ATOM 1189 N LEU A 77 9.336 2.883 -4.837 1.00 0.00 N ATOM 1190 CA LEU A 77 9.814 1.655 -5.463 1.00 0.00 C ATOM 1191 C LEU A 77 9.974 1.839 -6.969 1.00 0.00 C ATOM 1192 O LEU A 77 10.922 1.334 -7.568 1.00 0.00 O ATOM 1193 CB LEU A 77 8.848 0.504 -5.178 1.00 0.00 C ATOM 1194 CG LEU A 77 9.044 -0.222 -3.847 1.00 0.00 C ATOM 1195 CD1 LEU A 77 7.798 -1.015 -3.483 1.00 0.00 C ATOM 1196 CD2 LEU A 77 10.259 -1.136 -3.911 1.00 0.00 C ATOM 0 H LEU A 77 8.514 2.762 -4.245 1.00 0.00 H new ATOM 0 HA LEU A 77 10.789 1.416 -5.039 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.831 0.894 -5.210 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.936 -0.225 -5.983 1.00 0.00 H new ATOM 0 HG LEU A 77 9.216 0.524 -3.071 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.956 -1.525 -2.533 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.949 -0.338 -3.394 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.595 -1.751 -4.261 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.383 -1.644 -2.955 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.117 -1.875 -4.699 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.149 -0.544 -4.125 1.00 0.00 H new ATOM 1208 N GLU A 78 9.040 2.567 -7.574 1.00 0.00 N ATOM 1209 CA GLU A 78 9.079 2.819 -9.009 1.00 0.00 C ATOM 1210 C GLU A 78 10.408 3.449 -9.415 1.00 0.00 C ATOM 1211 O GLU A 78 11.126 2.918 -10.263 1.00 0.00 O ATOM 1212 CB GLU A 78 7.922 3.732 -9.421 1.00 0.00 C ATOM 1213 CG GLU A 78 7.251 3.316 -10.719 1.00 0.00 C ATOM 1214 CD GLU A 78 7.653 4.191 -11.891 1.00 0.00 C ATOM 1215 OE1 GLU A 78 8.797 4.051 -12.371 1.00 0.00 O ATOM 1216 OE2 GLU A 78 6.822 5.015 -12.327 1.00 0.00 O ATOM 0 H GLU A 78 8.248 2.992 -7.092 1.00 0.00 H new ATOM 0 HA GLU A 78 8.978 1.863 -9.522 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.178 3.743 -8.625 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.294 4.751 -9.524 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.507 2.280 -10.940 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.169 3.358 -10.594 1.00 0.00 H new ATOM 1223 N SER A 79 10.729 4.585 -8.804 1.00 0.00 N ATOM 1224 CA SER A 79 11.970 5.290 -9.104 1.00 0.00 C ATOM 1225 C SER A 79 13.177 4.385 -8.883 1.00 0.00 C ATOM 1226 O SER A 79 14.161 4.449 -9.621 1.00 0.00 O ATOM 1227 CB SER A 79 12.092 6.543 -8.235 1.00 0.00 C ATOM 1228 OG SER A 79 12.251 7.704 -9.032 1.00 0.00 O ATOM 0 H SER A 79 10.147 5.037 -8.098 1.00 0.00 H new ATOM 0 HA SER A 79 11.947 5.584 -10.153 1.00 0.00 H new ATOM 0 HB2 SER A 79 11.203 6.645 -7.612 1.00 0.00 H new ATOM 0 HB3 SER A 79 12.943 6.441 -7.562 1.00 0.00 H new ATOM 0 HG SER A 79 12.325 8.491 -8.453 1.00 0.00 H new ATOM 1234 N LYS A 80 13.096 3.540 -7.860 1.00 0.00 N ATOM 1235 CA LYS A 80 14.179 2.619 -7.540 1.00 0.00 C ATOM 1236 C LYS A 80 14.326 1.554 -8.621 1.00 0.00 C ATOM 1237 O LYS A 80 15.320 0.828 -8.662 1.00 0.00 O ATOM 1238 CB LYS A 80 13.927 1.953 -6.185 1.00 0.00 C ATOM 1239 CG LYS A 80 13.517 2.929 -5.095 1.00 0.00 C ATOM 1240 CD LYS A 80 14.373 2.767 -3.851 1.00 0.00 C ATOM 1241 CE LYS A 80 13.887 3.660 -2.719 1.00 0.00 C ATOM 1242 NZ LYS A 80 14.961 3.929 -1.724 1.00 0.00 N ATOM 0 H LYS A 80 12.290 3.475 -7.238 1.00 0.00 H new ATOM 0 HA LYS A 80 15.105 3.192 -7.490 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.147 1.200 -6.299 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.831 1.431 -5.872 1.00 0.00 H new ATOM 0 HG2 LYS A 80 13.604 3.950 -5.468 1.00 0.00 H new ATOM 0 HG3 LYS A 80 12.469 2.772 -4.840 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.354 1.726 -3.528 1.00 0.00 H new ATOM 0 HD3 LYS A 80 15.409 3.009 -4.087 1.00 0.00 H new ATOM 0 HE2 LYS A 80 13.528 4.604 -3.130 1.00 0.00 H new ATOM 0 HE3 LYS A 80 13.041 3.187 -2.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 14.590 4.541 -0.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 15.286 3.031 -1.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 15.758 4.404 -2.194 1.00 0.00 H new ATOM 1256 N LYS A 81 13.331 1.466 -9.498 1.00 0.00 N ATOM 1257 CA LYS A 81 13.350 0.492 -10.582 1.00 0.00 C ATOM 1258 C LYS A 81 13.332 -0.932 -10.035 1.00 0.00 C ATOM 1259 O LYS A 81 13.934 -1.838 -10.614 1.00 0.00 O ATOM 1260 CB LYS A 81 14.588 0.697 -11.459 1.00 0.00 C ATOM 1261 CG LYS A 81 14.333 0.458 -12.937 1.00 0.00 C ATOM 1262 CD LYS A 81 15.033 -0.799 -13.427 1.00 0.00 C ATOM 1263 CE LYS A 81 16.406 -0.485 -14.000 1.00 0.00 C ATOM 1264 NZ LYS A 81 16.761 -1.398 -15.122 1.00 0.00 N ATOM 0 H LYS A 81 12.501 2.058 -9.479 1.00 0.00 H new ATOM 0 HA LYS A 81 12.455 0.642 -11.186 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.955 1.714 -11.322 1.00 0.00 H new ATOM 0 HB3 LYS A 81 15.377 0.025 -11.122 1.00 0.00 H new ATOM 0 HG2 LYS A 81 13.261 0.371 -13.113 1.00 0.00 H new ATOM 0 HG3 LYS A 81 14.681 1.317 -13.511 1.00 0.00 H new ATOM 0 HD2 LYS A 81 15.134 -1.505 -12.603 1.00 0.00 H new ATOM 0 HD3 LYS A 81 14.422 -1.284 -14.188 1.00 0.00 H new ATOM 0 HE2 LYS A 81 16.426 0.547 -14.351 1.00 0.00 H new ATOM 0 HE3 LYS A 81 17.156 -0.568 -13.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 17.704 -1.151 -15.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 16.767 -2.381 -14.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 16.060 -1.300 -15.884 1.00 0.00 H new ATOM 1278 N LEU A 82 12.639 -1.123 -8.919 1.00 0.00 N ATOM 1279 CA LEU A 82 12.541 -2.438 -8.294 1.00 0.00 C ATOM 1280 C LEU A 82 11.227 -3.119 -8.661 1.00 0.00 C ATOM 1281 O LEU A 82 11.131 -4.346 -8.661 1.00 0.00 O ATOM 1282 CB LEU A 82 12.657 -2.312 -6.774 1.00 0.00 C ATOM 1283 CG LEU A 82 14.055 -2.015 -6.229 1.00 0.00 C ATOM 1284 CD1 LEU A 82 14.011 -1.825 -4.721 1.00 0.00 C ATOM 1285 CD2 LEU A 82 15.020 -3.132 -6.601 1.00 0.00 C ATOM 0 H LEU A 82 12.136 -0.384 -8.427 1.00 0.00 H new ATOM 0 HA LEU A 82 13.362 -3.051 -8.665 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.984 -1.521 -6.443 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.303 -3.240 -6.325 1.00 0.00 H new ATOM 0 HG LEU A 82 14.411 -1.089 -6.680 1.00 0.00 H new ATOM 0 HD11 LEU A 82 15.015 -1.615 -4.351 1.00 0.00 H new ATOM 0 HD12 LEU A 82 13.353 -0.991 -4.478 1.00 0.00 H new ATOM 0 HD13 LEU A 82 13.634 -2.733 -4.251 1.00 0.00 H new ATOM 0 HD21 LEU A 82 16.010 -2.904 -6.205 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.668 -4.073 -6.178 1.00 0.00 H new ATOM 0 HD23 LEU A 82 15.074 -3.220 -7.686 1.00 0.00 H new ATOM 1297 N ILE A 83 10.217 -2.314 -8.974 1.00 0.00 N ATOM 1298 CA ILE A 83 8.909 -2.839 -9.346 1.00 0.00 C ATOM 1299 C ILE A 83 8.483 -2.331 -10.719 1.00 0.00 C ATOM 1300 O ILE A 83 9.152 -1.487 -11.317 1.00 0.00 O ATOM 1301 CB ILE A 83 7.834 -2.456 -8.313 1.00 0.00 C ATOM 1302 CG1 ILE A 83 7.688 -0.935 -8.235 1.00 0.00 C ATOM 1303 CG2 ILE A 83 8.183 -3.031 -6.948 1.00 0.00 C ATOM 1304 CD1 ILE A 83 6.625 -0.479 -7.261 1.00 0.00 C ATOM 0 H ILE A 83 10.280 -1.296 -8.977 1.00 0.00 H new ATOM 0 HA ILE A 83 9.002 -3.925 -9.376 1.00 0.00 H new ATOM 0 HB ILE A 83 6.880 -2.877 -8.630 1.00 0.00 H new ATOM 0 HG12 ILE A 83 8.645 -0.501 -7.945 1.00 0.00 H new ATOM 0 HG13 ILE A 83 7.450 -0.550 -9.226 1.00 0.00 H new ATOM 0 HG21 ILE A 83 7.414 -2.752 -6.228 1.00 0.00 H new ATOM 0 HG22 ILE A 83 8.240 -4.117 -7.015 1.00 0.00 H new ATOM 0 HG23 ILE A 83 9.145 -2.636 -6.622 1.00 0.00 H new ATOM 0 HD11 ILE A 83 6.577 0.610 -7.258 1.00 0.00 H new ATOM 0 HD12 ILE A 83 5.659 -0.884 -7.561 1.00 0.00 H new ATOM 0 HD13 ILE A 83 6.872 -0.834 -6.260 1.00 0.00 H new ATOM 1316 N LYS A 84 7.363 -2.848 -11.214 1.00 0.00 N ATOM 1317 CA LYS A 84 6.844 -2.445 -12.515 1.00 0.00 C ATOM 1318 C LYS A 84 5.334 -2.238 -12.458 1.00 0.00 C ATOM 1319 O LYS A 84 4.581 -3.165 -12.160 1.00 0.00 O ATOM 1320 CB LYS A 84 7.185 -3.499 -13.572 1.00 0.00 C ATOM 1321 CG LYS A 84 6.651 -4.883 -13.245 1.00 0.00 C ATOM 1322 CD LYS A 84 7.338 -5.955 -14.074 1.00 0.00 C ATOM 1323 CE LYS A 84 6.331 -6.918 -14.684 1.00 0.00 C ATOM 1324 NZ LYS A 84 6.815 -7.482 -15.975 1.00 0.00 N ATOM 0 H LYS A 84 6.797 -3.547 -10.733 1.00 0.00 H new ATOM 0 HA LYS A 84 7.313 -1.500 -12.788 1.00 0.00 H new ATOM 0 HB2 LYS A 84 6.782 -3.181 -14.533 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.268 -3.553 -13.683 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.799 -5.090 -12.185 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.577 -4.912 -13.428 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.921 -5.486 -14.867 1.00 0.00 H new ATOM 0 HD3 LYS A 84 8.038 -6.508 -13.448 1.00 0.00 H new ATOM 0 HE2 LYS A 84 6.135 -7.730 -13.984 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.385 -6.401 -14.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 6.101 -8.133 -16.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.978 -6.709 -16.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 7.704 -7.998 -15.817 1.00 0.00 H new ATOM 1338 N ALA A 85 4.897 -1.016 -12.745 1.00 0.00 N ATOM 1339 CA ALA A 85 3.477 -0.689 -12.730 1.00 0.00 C ATOM 1340 C ALA A 85 2.773 -1.241 -13.965 1.00 0.00 C ATOM 1341 O ALA A 85 3.326 -1.229 -15.064 1.00 0.00 O ATOM 1342 CB ALA A 85 3.284 0.818 -12.639 1.00 0.00 C ATOM 0 H ALA A 85 5.507 -0.236 -12.991 1.00 0.00 H new ATOM 0 HA ALA A 85 3.031 -1.155 -11.852 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.219 1.048 -12.629 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.744 1.189 -11.723 1.00 0.00 H new ATOM 0 HB3 ALA A 85 3.751 1.297 -13.500 1.00 0.00 H new ATOM 1348 N VAL A 86 1.549 -1.725 -13.775 1.00 0.00 N ATOM 1349 CA VAL A 86 0.769 -2.282 -14.874 1.00 0.00 C ATOM 1350 C VAL A 86 -0.636 -1.691 -14.905 1.00 0.00 C ATOM 1351 O VAL A 86 -1.422 -1.879 -13.977 1.00 0.00 O ATOM 1352 CB VAL A 86 0.667 -3.815 -14.769 1.00 0.00 C ATOM 1353 CG1 VAL A 86 1.979 -4.467 -15.178 1.00 0.00 C ATOM 1354 CG2 VAL A 86 0.274 -4.227 -13.359 1.00 0.00 C ATOM 0 H VAL A 86 1.077 -1.742 -12.871 1.00 0.00 H new ATOM 0 HA VAL A 86 1.290 -2.022 -15.796 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.110 -4.158 -15.453 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.888 -5.550 -15.097 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.213 -4.198 -16.208 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.778 -4.120 -14.522 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.207 -5.313 -13.303 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.026 -3.873 -12.654 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.693 -3.790 -13.108 1.00 0.00 H new ATOM 1364 N LYS A 87 -0.946 -0.975 -15.981 1.00 0.00 N ATOM 1365 CA LYS A 87 -2.258 -0.356 -16.136 1.00 0.00 C ATOM 1366 C LYS A 87 -3.139 -1.177 -17.071 1.00 0.00 C ATOM 1367 O LYS A 87 -2.647 -1.822 -17.997 1.00 0.00 O ATOM 1368 CB LYS A 87 -2.112 1.069 -16.675 1.00 0.00 C ATOM 1369 CG LYS A 87 -1.248 1.162 -17.921 1.00 0.00 C ATOM 1370 CD LYS A 87 -1.756 2.232 -18.873 1.00 0.00 C ATOM 1371 CE LYS A 87 -1.863 1.707 -20.296 1.00 0.00 C ATOM 1372 NZ LYS A 87 -2.189 2.791 -21.264 1.00 0.00 N ATOM 0 H LYS A 87 -0.307 -0.809 -16.758 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.733 -0.320 -15.156 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -3.102 1.467 -16.899 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.683 1.701 -15.897 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -0.220 1.385 -17.636 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.236 0.198 -18.429 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -2.732 2.583 -18.539 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -1.084 3.090 -18.850 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -0.922 1.236 -20.581 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -2.632 0.936 -20.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -2.253 2.393 -22.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -3.099 3.224 -21.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -1.442 3.515 -21.239 1.00 0.00 H new