USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=7 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= -0.0836 X(o=-0.084,f=-0.022) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 110:sc= -1.51 USER MOD Single : A 64 ASN : amide:sc= -0.0327 X(o=-0.033,f=-0.16) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.864 K(o=-0.86,f=-2.5!) 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= -0.0754 K(o=-0.075,f=-1.6!) 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 -5.537 1.017 -10.135 1.00 0.00 N ATOM 230 CA LEU A 19 -4.415 0.576 -10.956 1.00 0.00 C ATOM 231 C LEU A 19 -3.774 -0.680 -10.374 1.00 0.00 C ATOM 232 O LEU A 19 -3.876 -0.943 -9.175 1.00 0.00 O ATOM 233 CB LEU A 19 -3.371 1.689 -11.068 1.00 0.00 C ATOM 234 CG LEU A 19 -3.439 2.548 -12.331 1.00 0.00 C ATOM 235 CD1 LEU A 19 -3.348 4.025 -11.978 1.00 0.00 C ATOM 236 CD2 LEU A 19 -2.331 2.161 -13.299 1.00 0.00 C ATOM 0 HA LEU A 19 -4.795 0.340 -11.950 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.472 2.343 -10.202 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.380 1.238 -11.013 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.398 2.370 -12.817 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.398 4.621 -12.889 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.176 4.294 -11.323 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.404 4.220 -11.469 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.395 2.782 -14.192 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.362 2.310 -12.822 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.441 1.113 -13.578 1.00 0.00 H new ATOM 248 N LEU A 20 -3.113 -1.451 -11.230 1.00 0.00 N ATOM 249 CA LEU A 20 -2.454 -2.680 -10.802 1.00 0.00 C ATOM 250 C LEU A 20 -0.952 -2.464 -10.642 1.00 0.00 C ATOM 251 O LEU A 20 -0.361 -1.620 -11.316 1.00 0.00 O ATOM 252 CB LEU A 20 -2.715 -3.801 -11.809 1.00 0.00 C ATOM 253 CG LEU A 20 -2.394 -5.218 -11.334 1.00 0.00 C ATOM 254 CD1 LEU A 20 -3.152 -5.538 -10.055 1.00 0.00 C ATOM 255 CD2 LEU A 20 -2.724 -6.232 -12.420 1.00 0.00 C ATOM 0 H LEU A 20 -3.019 -1.247 -12.225 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.867 -2.967 -9.835 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.765 -3.765 -12.098 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.131 -3.599 -12.707 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.326 -5.276 -11.123 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.910 -6.551 -9.733 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.866 -4.831 -9.276 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.224 -5.462 -10.238 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.489 -7.235 -12.065 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.785 -6.172 -12.663 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.135 -6.016 -13.311 1.00 0.00 H new ATOM 267 N TYR A 21 -0.341 -3.233 -9.748 1.00 0.00 N ATOM 268 CA TYR A 21 1.092 -3.127 -9.500 1.00 0.00 C ATOM 269 C TYR A 21 1.733 -4.508 -9.408 1.00 0.00 C ATOM 270 O TYR A 21 1.084 -5.482 -9.027 1.00 0.00 O ATOM 271 CB TYR A 21 1.350 -2.345 -8.211 1.00 0.00 C ATOM 272 CG TYR A 21 1.502 -0.856 -8.425 1.00 0.00 C ATOM 273 CD1 TYR A 21 0.390 -0.024 -8.468 1.00 0.00 C ATOM 274 CD2 TYR A 21 2.756 -0.281 -8.586 1.00 0.00 C ATOM 275 CE1 TYR A 21 0.523 1.337 -8.665 1.00 0.00 C ATOM 276 CE2 TYR A 21 2.899 1.079 -8.781 1.00 0.00 C ATOM 277 CZ TYR A 21 1.780 1.884 -8.820 1.00 0.00 C ATOM 278 OH TYR A 21 1.918 3.239 -9.016 1.00 0.00 O ATOM 0 H TYR A 21 -0.816 -3.937 -9.183 1.00 0.00 H new ATOM 0 HA TYR A 21 1.542 -2.594 -10.337 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.527 -2.522 -7.518 1.00 0.00 H new ATOM 0 HB3 TYR A 21 2.253 -2.729 -7.738 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.595 -0.449 -8.345 1.00 0.00 H new ATOM 0 HD2 TYR A 21 3.635 -0.908 -8.558 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -0.352 1.969 -8.697 1.00 0.00 H new ATOM 0 HE2 TYR A 21 3.882 1.510 -8.902 1.00 0.00 H new ATOM 0 HH TYR A 21 2.868 3.461 -9.106 1.00 0.00 H new ATOM 288 N ARG A 22 3.013 -4.583 -9.759 1.00 0.00 N ATOM 289 CA ARG A 22 3.743 -5.844 -9.717 1.00 0.00 C ATOM 290 C ARG A 22 5.221 -5.607 -9.421 1.00 0.00 C ATOM 291 O ARG A 22 5.743 -4.516 -9.654 1.00 0.00 O ATOM 292 CB ARG A 22 3.592 -6.590 -11.044 1.00 0.00 C ATOM 293 CG ARG A 22 2.347 -7.460 -11.116 1.00 0.00 C ATOM 294 CD ARG A 22 2.116 -7.987 -12.523 1.00 0.00 C ATOM 295 NE ARG A 22 3.145 -8.943 -12.925 1.00 0.00 N ATOM 296 CZ ARG A 22 3.066 -9.689 -14.022 1.00 0.00 C ATOM 297 NH1 ARG A 22 2.013 -9.589 -14.821 1.00 0.00 N ATOM 298 NH2 ARG A 22 4.043 -10.536 -14.320 1.00 0.00 N ATOM 0 H ARG A 22 3.565 -3.786 -10.075 1.00 0.00 H new ATOM 0 HA ARG A 22 3.322 -6.452 -8.916 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.566 -5.865 -11.858 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.471 -7.215 -11.202 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.446 -8.297 -10.425 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.480 -6.883 -10.796 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.137 -8.464 -12.575 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.102 -7.153 -13.225 1.00 0.00 H new ATOM 0 HE ARG A 22 3.969 -9.043 -12.332 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.261 -8.938 -14.594 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.955 -10.163 -15.662 1.00 0.00 H new ATOM 0 HH21 ARG A 22 4.855 -10.614 -13.707 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.982 -11.109 -15.162 1.00 0.00 H new ATOM 312 N ILE A 23 5.888 -6.634 -8.906 1.00 0.00 N ATOM 313 CA ILE A 23 7.305 -6.536 -8.578 1.00 0.00 C ATOM 314 C ILE A 23 8.173 -6.889 -9.781 1.00 0.00 C ATOM 315 O ILE A 23 7.734 -7.589 -10.694 1.00 0.00 O ATOM 316 CB ILE A 23 7.676 -7.461 -7.403 1.00 0.00 C ATOM 317 CG1 ILE A 23 7.305 -8.909 -7.728 1.00 0.00 C ATOM 318 CG2 ILE A 23 6.981 -7.003 -6.130 1.00 0.00 C ATOM 319 CD1 ILE A 23 8.163 -9.928 -7.012 1.00 0.00 C ATOM 0 H ILE A 23 5.470 -7.543 -8.707 1.00 0.00 H new ATOM 0 HA ILE A 23 7.491 -5.502 -8.289 1.00 0.00 H new ATOM 0 HB ILE A 23 8.753 -7.409 -7.245 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.261 -9.076 -7.464 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.391 -9.065 -8.803 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.253 -7.666 -5.309 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.291 -5.985 -5.892 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.901 -7.029 -6.275 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.843 -10.932 -7.290 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.206 -9.788 -7.295 1.00 0.00 H new ATOM 0 HD13 ILE A 23 8.058 -9.799 -5.935 1.00 0.00 H new ATOM 331 N LYS A 24 9.409 -6.402 -9.775 1.00 0.00 N ATOM 332 CA LYS A 24 10.342 -6.668 -10.864 1.00 0.00 C ATOM 333 C LYS A 24 11.367 -7.722 -10.458 1.00 0.00 C ATOM 334 O LYS A 24 12.033 -7.590 -9.431 1.00 0.00 O ATOM 335 CB LYS A 24 11.057 -5.379 -11.277 1.00 0.00 C ATOM 336 CG LYS A 24 11.203 -5.219 -12.780 1.00 0.00 C ATOM 337 CD LYS A 24 12.382 -6.014 -13.314 1.00 0.00 C ATOM 338 CE LYS A 24 12.371 -6.075 -14.834 1.00 0.00 C ATOM 339 NZ LYS A 24 13.350 -5.127 -15.434 1.00 0.00 N ATOM 0 H LYS A 24 9.788 -5.821 -9.028 1.00 0.00 H new ATOM 0 HA LYS A 24 9.772 -7.048 -11.712 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.507 -4.525 -10.881 1.00 0.00 H new ATOM 0 HB3 LYS A 24 12.047 -5.360 -10.820 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.288 -5.549 -13.272 1.00 0.00 H new ATOM 0 HG3 LYS A 24 11.334 -4.165 -13.023 1.00 0.00 H new ATOM 0 HD2 LYS A 24 13.313 -5.560 -12.974 1.00 0.00 H new ATOM 0 HD3 LYS A 24 12.354 -7.025 -12.908 1.00 0.00 H new ATOM 0 HE2 LYS A 24 12.602 -7.090 -15.158 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.371 -5.844 -15.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.312 -5.199 -16.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 13.115 -4.156 -15.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 14.308 -5.363 -15.106 1.00 0.00 H new ATOM 583 N LEU A 41 7.396 -3.332 3.637 1.00 0.00 N ATOM 584 CA LEU A 41 6.093 -3.935 3.894 1.00 0.00 C ATOM 585 C LEU A 41 5.246 -3.965 2.626 1.00 0.00 C ATOM 586 O LEU A 41 4.550 -4.944 2.355 1.00 0.00 O ATOM 587 CB LEU A 41 5.359 -3.162 4.992 1.00 0.00 C ATOM 588 CG LEU A 41 4.005 -3.728 5.421 1.00 0.00 C ATOM 589 CD1 LEU A 41 4.192 -4.859 6.420 1.00 0.00 C ATOM 590 CD2 LEU A 41 3.132 -2.631 6.013 1.00 0.00 C ATOM 0 HA LEU A 41 6.255 -4.961 4.225 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.005 -3.115 5.869 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.210 -2.138 4.650 1.00 0.00 H new ATOM 0 HG LEU A 41 3.504 -4.128 4.539 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.218 -5.250 6.714 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.779 -5.655 5.962 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.713 -4.484 7.301 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.172 -3.052 6.313 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.628 -2.202 6.884 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.970 -1.853 5.267 1.00 0.00 H new ATOM 602 N VAL A 42 5.313 -2.888 1.850 1.00 0.00 N ATOM 603 CA VAL A 42 4.555 -2.792 0.608 1.00 0.00 C ATOM 604 C VAL A 42 5.109 -3.742 -0.448 1.00 0.00 C ATOM 605 O VAL A 42 4.360 -4.482 -1.086 1.00 0.00 O ATOM 606 CB VAL A 42 4.572 -1.356 0.050 1.00 0.00 C ATOM 607 CG1 VAL A 42 3.625 -1.233 -1.134 1.00 0.00 C ATOM 608 CG2 VAL A 42 4.209 -0.358 1.139 1.00 0.00 C ATOM 0 H VAL A 42 5.885 -2.070 2.059 1.00 0.00 H new ATOM 0 HA VAL A 42 3.528 -3.071 0.841 1.00 0.00 H new ATOM 0 HB VAL A 42 5.581 -1.130 -0.297 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.650 -0.212 -1.515 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.934 -1.922 -1.920 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.611 -1.477 -0.816 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.226 0.651 0.728 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.211 -0.579 1.517 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.930 -0.430 1.953 1.00 0.00 H new ATOM 618 N TYR A 43 6.425 -3.718 -0.626 1.00 0.00 N ATOM 619 CA TYR A 43 7.079 -4.576 -1.606 1.00 0.00 C ATOM 620 C TYR A 43 6.733 -6.042 -1.364 1.00 0.00 C ATOM 621 O TYR A 43 6.543 -6.809 -2.307 1.00 0.00 O ATOM 622 CB TYR A 43 8.596 -4.383 -1.552 1.00 0.00 C ATOM 623 CG TYR A 43 9.338 -5.110 -2.651 1.00 0.00 C ATOM 624 CD1 TYR A 43 9.594 -6.472 -2.559 1.00 0.00 C ATOM 625 CD2 TYR A 43 9.784 -4.434 -3.780 1.00 0.00 C ATOM 626 CE1 TYR A 43 10.273 -7.141 -3.559 1.00 0.00 C ATOM 627 CE2 TYR A 43 10.462 -5.095 -4.786 1.00 0.00 C ATOM 628 CZ TYR A 43 10.705 -6.448 -4.671 1.00 0.00 C ATOM 629 OH TYR A 43 11.381 -7.109 -5.671 1.00 0.00 O ATOM 0 H TYR A 43 7.060 -3.114 -0.104 1.00 0.00 H new ATOM 0 HA TYR A 43 6.718 -4.295 -2.595 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.821 -3.318 -1.616 1.00 0.00 H new ATOM 0 HB3 TYR A 43 8.964 -4.729 -0.586 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.256 -7.018 -1.690 1.00 0.00 H new ATOM 0 HD2 TYR A 43 9.598 -3.374 -3.873 1.00 0.00 H new ATOM 0 HE1 TYR A 43 10.465 -8.200 -3.471 1.00 0.00 H new ATOM 0 HE2 TYR A 43 10.800 -4.555 -5.658 1.00 0.00 H new ATOM 0 HH TYR A 43 11.614 -6.476 -6.382 1.00 0.00 H new ATOM 639 N GLN A 44 6.653 -6.422 -0.093 1.00 0.00 N ATOM 640 CA GLN A 44 6.330 -7.796 0.274 1.00 0.00 C ATOM 641 C GLN A 44 4.948 -8.186 -0.241 1.00 0.00 C ATOM 642 O GLN A 44 4.754 -9.291 -0.748 1.00 0.00 O ATOM 643 CB GLN A 44 6.388 -7.967 1.793 1.00 0.00 C ATOM 644 CG GLN A 44 7.801 -8.112 2.335 1.00 0.00 C ATOM 645 CD GLN A 44 8.385 -9.487 2.080 1.00 0.00 C ATOM 646 OE1 GLN A 44 8.177 -10.418 2.859 1.00 0.00 O ATOM 647 NE2 GLN A 44 9.122 -9.624 0.983 1.00 0.00 N ATOM 0 H GLN A 44 6.807 -5.799 0.699 1.00 0.00 H new ATOM 0 HA GLN A 44 7.068 -8.452 -0.187 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.913 -7.107 2.266 1.00 0.00 H new ATOM 0 HB3 GLN A 44 5.808 -8.846 2.074 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.441 -7.359 1.876 1.00 0.00 H new ATOM 0 HG3 GLN A 44 7.797 -7.916 3.407 1.00 0.00 H new ATOM 0 HE21 GLN A 44 9.269 -8.826 0.365 1.00 0.00 H new ATOM 0 HE22 GLN A 44 9.541 -10.527 0.759 1.00 0.00 H new ATOM 656 N ILE A 45 3.992 -7.273 -0.107 1.00 0.00 N ATOM 657 CA ILE A 45 2.629 -7.522 -0.560 1.00 0.00 C ATOM 658 C ILE A 45 2.563 -7.613 -2.080 1.00 0.00 C ATOM 659 O ILE A 45 1.901 -8.493 -2.631 1.00 0.00 O ATOM 660 CB ILE A 45 1.666 -6.420 -0.080 1.00 0.00 C ATOM 661 CG1 ILE A 45 1.701 -6.311 1.446 1.00 0.00 C ATOM 662 CG2 ILE A 45 0.253 -6.704 -0.565 1.00 0.00 C ATOM 663 CD1 ILE A 45 1.074 -5.040 1.975 1.00 0.00 C ATOM 0 H ILE A 45 4.136 -6.354 0.312 1.00 0.00 H new ATOM 0 HA ILE A 45 2.322 -8.474 -0.128 1.00 0.00 H new ATOM 0 HB ILE A 45 1.988 -5.467 -0.500 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.183 -7.168 1.875 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.736 -6.363 1.782 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.416 -5.917 -0.218 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.242 -6.736 -1.654 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.081 -7.664 -0.171 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.134 -5.030 3.063 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.607 -4.177 1.574 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.029 -4.995 1.669 1.00 0.00 H new ATOM 675 N ILE A 46 3.255 -6.699 -2.753 1.00 0.00 N ATOM 676 CA ILE A 46 3.277 -6.679 -4.210 1.00 0.00 C ATOM 677 C ILE A 46 3.988 -7.907 -4.767 1.00 0.00 C ATOM 678 O ILE A 46 3.639 -8.407 -5.836 1.00 0.00 O ATOM 679 CB ILE A 46 3.970 -5.412 -4.745 1.00 0.00 C ATOM 680 CG1 ILE A 46 3.289 -4.159 -4.190 1.00 0.00 C ATOM 681 CG2 ILE A 46 3.954 -5.400 -6.266 1.00 0.00 C ATOM 682 CD1 ILE A 46 4.041 -2.880 -4.488 1.00 0.00 C ATOM 0 H ILE A 46 3.807 -5.963 -2.312 1.00 0.00 H new ATOM 0 HA ILE A 46 2.238 -6.683 -4.541 1.00 0.00 H new ATOM 0 HB ILE A 46 5.008 -5.417 -4.413 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.285 -4.086 -4.607 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.179 -4.263 -3.111 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.448 -4.498 -6.628 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.480 -6.277 -6.642 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.923 -5.416 -6.619 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.501 -2.033 -4.065 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.036 -2.932 -4.047 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.128 -2.752 -5.567 1.00 0.00 H new ATOM 694 N GLU A 47 4.986 -8.389 -4.033 1.00 0.00 N ATOM 695 CA GLU A 47 5.746 -9.561 -4.454 1.00 0.00 C ATOM 696 C GLU A 47 4.907 -10.829 -4.326 1.00 0.00 C ATOM 697 O GLU A 47 5.015 -11.743 -5.143 1.00 0.00 O ATOM 698 CB GLU A 47 7.023 -9.694 -3.621 1.00 0.00 C ATOM 699 CG GLU A 47 7.860 -10.910 -3.981 1.00 0.00 C ATOM 700 CD GLU A 47 8.284 -11.708 -2.764 1.00 0.00 C ATOM 701 OE1 GLU A 47 8.898 -11.116 -1.852 1.00 0.00 O ATOM 702 OE2 GLU A 47 8.002 -12.924 -2.723 1.00 0.00 O ATOM 0 H GLU A 47 5.287 -7.987 -3.145 1.00 0.00 H new ATOM 0 HA GLU A 47 6.016 -9.430 -5.502 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.627 -8.796 -3.751 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.755 -9.747 -2.566 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.290 -11.553 -4.652 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.747 -10.587 -4.526 1.00 0.00 H new ATOM 709 N ASP A 48 4.071 -10.876 -3.294 1.00 0.00 N ATOM 710 CA ASP A 48 3.213 -12.030 -3.057 1.00 0.00 C ATOM 711 C ASP A 48 2.199 -12.194 -4.186 1.00 0.00 C ATOM 712 O ASP A 48 1.765 -13.305 -4.486 1.00 0.00 O ATOM 713 CB ASP A 48 2.486 -11.887 -1.719 1.00 0.00 C ATOM 714 CG ASP A 48 1.644 -13.103 -1.384 1.00 0.00 C ATOM 715 OD1 ASP A 48 2.194 -14.224 -1.388 1.00 0.00 O ATOM 716 OD2 ASP A 48 0.437 -12.932 -1.117 1.00 0.00 O ATOM 0 H ASP A 48 3.970 -10.128 -2.608 1.00 0.00 H new ATOM 0 HA ASP A 48 3.843 -12.919 -3.026 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.217 -11.726 -0.927 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.848 -11.004 -1.748 1.00 0.00 H new ATOM 721 N ALA A 49 1.826 -11.079 -4.805 1.00 0.00 N ATOM 722 CA ALA A 49 0.865 -11.099 -5.901 1.00 0.00 C ATOM 723 C ALA A 49 1.410 -11.873 -7.096 1.00 0.00 C ATOM 724 O ALA A 49 0.650 -12.418 -7.895 1.00 0.00 O ATOM 725 CB ALA A 49 0.501 -9.680 -6.310 1.00 0.00 C ATOM 0 H ALA A 49 2.175 -10.151 -4.566 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.034 -11.607 -5.553 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.217 -9.710 -7.129 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.061 -9.158 -5.460 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.399 -9.153 -6.634 1.00 0.00 H new ATOM 731 N GLY A 50 2.734 -11.917 -7.213 1.00 0.00 N ATOM 732 CA GLY A 50 3.358 -12.626 -8.315 1.00 0.00 C ATOM 733 C GLY A 50 3.078 -11.977 -9.655 1.00 0.00 C ATOM 734 O GLY A 50 3.401 -10.808 -9.866 1.00 0.00 O ATOM 0 H GLY A 50 3.385 -11.474 -6.565 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.435 -12.667 -8.153 1.00 0.00 H new ATOM 0 HA3 GLY A 50 2.998 -13.655 -8.331 1.00 0.00 H new ATOM 738 N ASN A 51 2.476 -12.736 -10.565 1.00 0.00 N ATOM 739 CA ASN A 51 2.155 -12.228 -11.893 1.00 0.00 C ATOM 740 C ASN A 51 0.785 -11.557 -11.902 1.00 0.00 C ATOM 741 O ASN A 51 0.518 -10.676 -12.720 1.00 0.00 O ATOM 742 CB ASN A 51 2.184 -13.365 -12.918 1.00 0.00 C ATOM 743 CG ASN A 51 3.319 -14.339 -12.668 1.00 0.00 C ATOM 744 OD1 ASN A 51 3.108 -15.437 -12.155 1.00 0.00 O ATOM 745 ND2 ASN A 51 4.533 -13.938 -13.031 1.00 0.00 N ATOM 0 H ASN A 51 2.201 -13.705 -10.407 1.00 0.00 H new ATOM 0 HA ASN A 51 2.906 -11.485 -12.162 1.00 0.00 H new ATOM 0 HB2 ASN A 51 1.235 -13.901 -12.889 1.00 0.00 H new ATOM 0 HB3 ASN A 51 2.282 -12.946 -13.919 1.00 0.00 H new ATOM 0 HD21 ASN A 51 5.336 -14.550 -12.887 1.00 0.00 H new ATOM 0 HD22 ASN A 51 4.661 -13.018 -13.453 1.00 0.00 H new ATOM 752 N LYS A 52 -0.081 -11.978 -10.986 1.00 0.00 N ATOM 753 CA LYS A 52 -1.423 -11.417 -10.885 1.00 0.00 C ATOM 754 C LYS A 52 -1.368 -9.932 -10.543 1.00 0.00 C ATOM 755 O LYS A 52 -2.182 -9.144 -11.021 1.00 0.00 O ATOM 756 CB LYS A 52 -2.232 -12.166 -9.824 1.00 0.00 C ATOM 757 CG LYS A 52 -2.314 -13.664 -10.066 1.00 0.00 C ATOM 758 CD LYS A 52 -3.127 -13.985 -11.309 1.00 0.00 C ATOM 759 CE LYS A 52 -2.804 -15.372 -11.843 1.00 0.00 C ATOM 760 NZ LYS A 52 -3.691 -16.413 -11.253 1.00 0.00 N ATOM 0 H LYS A 52 0.123 -12.707 -10.302 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.911 -11.531 -11.853 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.785 -11.988 -8.846 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.241 -11.756 -9.792 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.309 -14.072 -10.172 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.765 -14.149 -9.200 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.190 -13.922 -11.076 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.925 -13.241 -12.080 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.909 -15.377 -12.928 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.764 -15.613 -11.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.440 -17.344 -11.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.572 -16.426 -10.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.682 -16.197 -11.485 1.00 0.00 H new ATOM 774 N GLY A 53 -0.399 -9.556 -9.712 1.00 0.00 N ATOM 775 CA GLY A 53 -0.255 -8.166 -9.322 1.00 0.00 C ATOM 776 C GLY A 53 -1.254 -7.756 -8.258 1.00 0.00 C ATOM 777 O GLY A 53 -2.265 -8.430 -8.054 1.00 0.00 O ATOM 0 H GLY A 53 0.288 -10.189 -9.303 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.756 -7.999 -8.950 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.381 -7.531 -10.199 1.00 0.00 H new ATOM 781 N ILE A 54 -0.971 -6.651 -7.577 1.00 0.00 N ATOM 782 CA ILE A 54 -1.852 -6.154 -6.528 1.00 0.00 C ATOM 783 C ILE A 54 -2.311 -4.730 -6.824 1.00 0.00 C ATOM 784 O ILE A 54 -1.513 -3.879 -7.216 1.00 0.00 O ATOM 785 CB ILE A 54 -1.162 -6.182 -5.152 1.00 0.00 C ATOM 786 CG1 ILE A 54 -2.168 -5.862 -4.045 1.00 0.00 C ATOM 787 CG2 ILE A 54 -0.001 -5.199 -5.121 1.00 0.00 C ATOM 788 CD1 ILE A 54 -2.092 -6.808 -2.867 1.00 0.00 C ATOM 0 H ILE A 54 -0.138 -6.083 -7.733 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.718 -6.816 -6.505 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.769 -7.184 -4.980 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.998 -4.844 -3.694 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.175 -5.892 -4.461 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.476 -5.231 -4.142 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.725 -5.469 -5.888 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.372 -4.192 -5.312 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.833 -6.521 -2.121 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.291 -7.825 -3.204 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.096 -6.760 -2.426 1.00 0.00 H new ATOM 800 N TRP A 55 -3.601 -4.478 -6.633 1.00 0.00 N ATOM 801 CA TRP A 55 -4.166 -3.156 -6.878 1.00 0.00 C ATOM 802 C TRP A 55 -3.800 -2.191 -5.756 1.00 0.00 C ATOM 803 O TRP A 55 -3.647 -2.594 -4.603 1.00 0.00 O ATOM 804 CB TRP A 55 -5.687 -3.246 -7.014 1.00 0.00 C ATOM 805 CG TRP A 55 -6.131 -4.131 -8.139 1.00 0.00 C ATOM 806 CD1 TRP A 55 -6.325 -5.482 -8.092 1.00 0.00 C ATOM 807 CD2 TRP A 55 -6.436 -3.727 -9.479 1.00 0.00 C ATOM 808 NE1 TRP A 55 -6.731 -5.942 -9.321 1.00 0.00 N ATOM 809 CE2 TRP A 55 -6.808 -4.885 -10.189 1.00 0.00 C ATOM 810 CE3 TRP A 55 -6.432 -2.500 -10.147 1.00 0.00 C ATOM 811 CZ2 TRP A 55 -7.171 -4.850 -11.533 1.00 0.00 C ATOM 812 CZ3 TRP A 55 -6.792 -2.466 -11.480 1.00 0.00 C ATOM 813 CH2 TRP A 55 -7.158 -3.635 -12.162 1.00 0.00 C ATOM 0 H TRP A 55 -4.275 -5.172 -6.309 1.00 0.00 H new ATOM 0 HA TRP A 55 -3.747 -2.776 -7.810 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -6.107 -3.619 -6.080 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -6.091 -2.245 -7.167 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -6.180 -6.098 -7.217 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -6.941 -6.913 -9.550 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -6.152 -1.594 -9.630 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -7.453 -5.750 -12.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -6.792 -1.523 -12.006 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -7.435 -3.575 -13.204 1.00 0.00 H new ATOM 824 N SER A 56 -3.660 -0.915 -6.101 1.00 0.00 N ATOM 825 CA SER A 56 -3.308 0.107 -5.123 1.00 0.00 C ATOM 826 C SER A 56 -4.247 0.055 -3.921 1.00 0.00 C ATOM 827 O SER A 56 -3.858 0.388 -2.801 1.00 0.00 O ATOM 828 CB SER A 56 -3.358 1.496 -5.763 1.00 0.00 C ATOM 829 OG SER A 56 -3.807 2.469 -4.836 1.00 0.00 O ATOM 0 H SER A 56 -3.785 -0.565 -7.051 1.00 0.00 H new ATOM 0 HA SER A 56 -2.293 -0.090 -4.779 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.368 1.767 -6.128 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.023 1.478 -6.627 1.00 0.00 H new ATOM 0 HG SER A 56 -3.828 3.348 -5.269 1.00 0.00 H new ATOM 835 N ARG A 57 -5.484 -0.365 -4.162 1.00 0.00 N ATOM 836 CA ARG A 57 -6.479 -0.461 -3.101 1.00 0.00 C ATOM 837 C ARG A 57 -6.239 -1.696 -2.240 1.00 0.00 C ATOM 838 O ARG A 57 -6.468 -1.676 -1.030 1.00 0.00 O ATOM 839 CB ARG A 57 -7.888 -0.507 -3.697 1.00 0.00 C ATOM 840 CG ARG A 57 -8.989 -0.290 -2.673 1.00 0.00 C ATOM 841 CD ARG A 57 -10.274 0.189 -3.330 1.00 0.00 C ATOM 842 NE ARG A 57 -11.338 0.412 -2.354 1.00 0.00 N ATOM 843 CZ ARG A 57 -12.623 0.507 -2.677 1.00 0.00 C ATOM 844 NH1 ARG A 57 -13.002 0.399 -3.943 1.00 0.00 N ATOM 845 NH2 ARG A 57 -13.532 0.710 -1.732 1.00 0.00 N ATOM 0 H ARG A 57 -5.821 -0.644 -5.083 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.387 0.423 -2.470 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.970 0.254 -4.473 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.038 -1.473 -4.180 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -9.178 -1.220 -2.137 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.662 0.442 -1.935 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.080 1.114 -3.873 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.603 -0.548 -4.063 1.00 0.00 H new ATOM 0 HE ARG A 57 -11.080 0.500 -1.371 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -12.306 0.242 -4.672 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -13.989 0.472 -4.188 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -13.244 0.793 -0.757 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -14.519 0.783 -1.981 1.00 0.00 H new ATOM 859 N ASP A 58 -5.776 -2.770 -2.870 1.00 0.00 N ATOM 860 CA ASP A 58 -5.504 -4.015 -2.161 1.00 0.00 C ATOM 861 C ASP A 58 -4.277 -3.873 -1.266 1.00 0.00 C ATOM 862 O ASP A 58 -4.364 -4.022 -0.047 1.00 0.00 O ATOM 863 CB ASP A 58 -5.295 -5.158 -3.156 1.00 0.00 C ATOM 864 CG ASP A 58 -6.599 -5.811 -3.569 1.00 0.00 C ATOM 865 OD1 ASP A 58 -7.550 -5.802 -2.759 1.00 0.00 O ATOM 866 OD2 ASP A 58 -6.669 -6.333 -4.702 1.00 0.00 O ATOM 0 H ASP A 58 -5.581 -2.804 -3.871 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.365 -4.243 -1.533 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.786 -4.777 -4.041 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.641 -5.908 -2.711 1.00 0.00 H new ATOM 871 N VAL A 59 -3.133 -3.586 -1.879 1.00 0.00 N ATOM 872 CA VAL A 59 -1.888 -3.425 -1.138 1.00 0.00 C ATOM 873 C VAL A 59 -2.056 -2.435 0.009 1.00 0.00 C ATOM 874 O VAL A 59 -1.449 -2.588 1.069 1.00 0.00 O ATOM 875 CB VAL A 59 -0.747 -2.943 -2.054 1.00 0.00 C ATOM 876 CG1 VAL A 59 -1.110 -1.618 -2.707 1.00 0.00 C ATOM 877 CG2 VAL A 59 0.551 -2.823 -1.270 1.00 0.00 C ATOM 0 H VAL A 59 -3.043 -3.460 -2.887 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.631 -4.405 -0.735 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.601 -3.681 -2.843 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.292 -1.293 -3.350 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.014 -1.742 -3.304 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.285 -0.868 -1.936 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.346 -2.481 -1.933 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.421 -2.106 -0.459 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.817 -3.795 -0.855 1.00 0.00 H new ATOM 887 N ARG A 60 -2.884 -1.418 -0.210 1.00 0.00 N ATOM 888 CA ARG A 60 -3.131 -0.402 0.805 1.00 0.00 C ATOM 889 C ARG A 60 -3.875 -0.995 1.999 1.00 0.00 C ATOM 890 O ARG A 60 -3.581 -0.672 3.150 1.00 0.00 O ATOM 891 CB ARG A 60 -3.937 0.755 0.213 1.00 0.00 C ATOM 892 CG ARG A 60 -4.149 1.909 1.180 1.00 0.00 C ATOM 893 CD ARG A 60 -5.287 2.812 0.731 1.00 0.00 C ATOM 894 NE ARG A 60 -4.996 3.465 -0.542 1.00 0.00 N ATOM 895 CZ ARG A 60 -5.929 3.997 -1.325 1.00 0.00 C ATOM 896 NH1 ARG A 60 -7.204 3.953 -0.966 1.00 0.00 N ATOM 897 NH2 ARG A 60 -5.586 4.575 -2.469 1.00 0.00 N ATOM 0 H ARG A 60 -3.395 -1.276 -1.082 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.167 -0.027 1.149 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.425 1.126 -0.675 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -4.908 0.381 -0.112 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.365 1.517 2.174 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.231 2.491 1.260 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -6.200 2.225 0.637 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -5.472 3.569 1.493 1.00 0.00 H new ATOM 0 HE ARG A 60 -4.024 3.516 -0.847 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -7.471 3.510 -0.087 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -7.918 4.362 -1.569 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -4.606 4.611 -2.748 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -6.303 4.983 -3.069 1.00 0.00 H new ATOM 911 N TYR A 61 -4.838 -1.864 1.716 1.00 0.00 N ATOM 912 CA TYR A 61 -5.626 -2.501 2.765 1.00 0.00 C ATOM 913 C TYR A 61 -4.765 -3.450 3.592 1.00 0.00 C ATOM 914 O TYR A 61 -4.821 -3.447 4.822 1.00 0.00 O ATOM 915 CB TYR A 61 -6.805 -3.262 2.156 1.00 0.00 C ATOM 916 CG TYR A 61 -8.024 -3.305 3.050 1.00 0.00 C ATOM 917 CD1 TYR A 61 -8.584 -2.136 3.551 1.00 0.00 C ATOM 918 CD2 TYR A 61 -8.616 -4.514 3.393 1.00 0.00 C ATOM 919 CE1 TYR A 61 -9.697 -2.171 4.368 1.00 0.00 C ATOM 920 CE2 TYR A 61 -9.730 -4.558 4.208 1.00 0.00 C ATOM 921 CZ TYR A 61 -10.267 -3.384 4.693 1.00 0.00 C ATOM 922 OH TYR A 61 -11.376 -3.423 5.506 1.00 0.00 O ATOM 0 H TYR A 61 -5.092 -2.144 0.769 1.00 0.00 H new ATOM 0 HA TYR A 61 -6.008 -1.720 3.423 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -7.076 -2.797 1.208 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.492 -4.282 1.933 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -8.141 -1.184 3.297 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -8.198 -5.436 3.016 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -10.119 -1.253 4.750 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -10.178 -5.507 4.464 1.00 0.00 H new ATOM 0 HH TYR A 61 -11.653 -4.354 5.636 1.00 0.00 H new ATOM 932 N LYS A 62 -3.967 -4.263 2.908 1.00 0.00 N ATOM 933 CA LYS A 62 -3.092 -5.218 3.576 1.00 0.00 C ATOM 934 C LYS A 62 -1.952 -4.502 4.294 1.00 0.00 C ATOM 935 O LYS A 62 -1.446 -4.981 5.308 1.00 0.00 O ATOM 936 CB LYS A 62 -2.524 -6.216 2.564 1.00 0.00 C ATOM 937 CG LYS A 62 -3.591 -6.992 1.811 1.00 0.00 C ATOM 938 CD LYS A 62 -2.985 -7.855 0.717 1.00 0.00 C ATOM 939 CE LYS A 62 -4.057 -8.441 -0.188 1.00 0.00 C ATOM 940 NZ LYS A 62 -4.352 -9.861 0.149 1.00 0.00 N ATOM 0 H LYS A 62 -3.909 -4.279 1.890 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.683 -5.757 4.316 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.903 -5.680 1.847 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.875 -6.919 3.085 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.144 -7.622 2.508 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -4.307 -6.297 1.373 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.292 -7.259 0.123 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.406 -8.662 1.167 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.969 -7.850 -0.101 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.732 -8.374 -1.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.088 -10.224 -0.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.488 -10.430 0.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.687 -9.922 1.132 1.00 0.00 H new ATOM 954 N SER A 63 -1.554 -3.351 3.761 1.00 0.00 N ATOM 955 CA SER A 63 -0.472 -2.570 4.350 1.00 0.00 C ATOM 956 C SER A 63 -0.979 -1.739 5.524 1.00 0.00 C ATOM 957 O SER A 63 -0.209 -1.350 6.402 1.00 0.00 O ATOM 958 CB SER A 63 0.156 -1.655 3.296 1.00 0.00 C ATOM 959 OG SER A 63 1.352 -1.068 3.779 1.00 0.00 O ATOM 0 H SER A 63 -1.964 -2.939 2.923 1.00 0.00 H new ATOM 0 HA SER A 63 0.285 -3.263 4.718 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.367 -2.227 2.392 1.00 0.00 H new ATOM 0 HB3 SER A 63 -0.551 -0.873 3.021 1.00 0.00 H new ATOM 0 HG SER A 63 2.119 -1.452 3.306 1.00 0.00 H new ATOM 965 N ASN A 64 -2.281 -1.470 5.533 1.00 0.00 N ATOM 966 CA ASN A 64 -2.892 -0.684 6.599 1.00 0.00 C ATOM 967 C ASN A 64 -2.335 0.736 6.616 1.00 0.00 C ATOM 968 O ASN A 64 -2.292 1.385 7.662 1.00 0.00 O ATOM 969 CB ASN A 64 -2.655 -1.354 7.954 1.00 0.00 C ATOM 970 CG ASN A 64 -3.702 -0.967 8.981 1.00 0.00 C ATOM 971 OD1 ASN A 64 -4.902 -1.098 8.740 1.00 0.00 O ATOM 972 ND2 ASN A 64 -3.251 -0.487 10.133 1.00 0.00 N ATOM 0 H ASN A 64 -2.933 -1.785 4.814 1.00 0.00 H new ATOM 0 HA ASN A 64 -3.964 -0.632 6.410 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.658 -2.437 7.826 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.667 -1.079 8.324 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -3.908 -0.209 10.862 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -2.247 -0.396 10.289 1.00 0.00 H new ATOM 979 N LEU A 65 -1.909 1.213 5.452 1.00 0.00 N ATOM 980 CA LEU A 65 -1.355 2.557 5.332 1.00 0.00 C ATOM 981 C LEU A 65 -2.281 3.458 4.522 1.00 0.00 C ATOM 982 O LEU A 65 -2.920 3.030 3.561 1.00 0.00 O ATOM 983 CB LEU A 65 0.026 2.503 4.675 1.00 0.00 C ATOM 984 CG LEU A 65 1.042 1.562 5.323 1.00 0.00 C ATOM 985 CD1 LEU A 65 2.341 1.553 4.532 1.00 0.00 C ATOM 986 CD2 LEU A 65 1.297 1.965 6.768 1.00 0.00 C ATOM 0 H LEU A 65 -1.937 0.689 4.577 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.258 2.974 6.334 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.101 2.207 3.634 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.444 3.510 4.671 1.00 0.00 H new ATOM 0 HG LEU A 65 0.630 0.553 5.316 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.052 0.878 5.008 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.145 1.215 3.514 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.758 2.560 4.506 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.023 1.284 7.213 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.688 2.982 6.799 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.364 1.918 7.329 1.00 0.00 H new ATOM 998 N PRO A 66 -2.357 4.737 4.917 1.00 0.00 N ATOM 999 CA PRO A 66 -3.200 5.727 4.240 1.00 0.00 C ATOM 1000 C PRO A 66 -2.676 6.083 2.854 1.00 0.00 C ATOM 1001 O PRO A 66 -1.483 5.951 2.577 1.00 0.00 O ATOM 1002 CB PRO A 66 -3.133 6.943 5.167 1.00 0.00 C ATOM 1003 CG PRO A 66 -1.841 6.796 5.893 1.00 0.00 C ATOM 1004 CD PRO A 66 -1.624 5.317 6.055 1.00 0.00 C ATOM 0 HA PRO A 66 -4.212 5.356 4.074 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.165 7.874 4.601 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.976 6.961 5.858 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.024 7.251 5.333 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -1.879 7.293 6.862 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.565 5.061 6.023 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.011 4.956 7.008 1.00 0.00 H new ATOM 1012 N LEU A 67 -3.574 6.536 1.986 1.00 0.00 N ATOM 1013 CA LEU A 67 -3.202 6.913 0.626 1.00 0.00 C ATOM 1014 C LEU A 67 -2.039 7.900 0.634 1.00 0.00 C ATOM 1015 O LEU A 67 -1.139 7.824 -0.204 1.00 0.00 O ATOM 1016 CB LEU A 67 -4.400 7.525 -0.101 1.00 0.00 C ATOM 1017 CG LEU A 67 -5.110 8.671 0.622 1.00 0.00 C ATOM 1018 CD1 LEU A 67 -4.549 10.012 0.176 1.00 0.00 C ATOM 1019 CD2 LEU A 67 -6.610 8.609 0.375 1.00 0.00 C ATOM 0 H LEU A 67 -4.565 6.651 2.199 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.887 6.012 0.099 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.064 7.888 -1.072 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.127 6.735 -0.290 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.934 8.565 1.692 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.066 10.815 0.701 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.484 10.055 0.405 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.694 10.128 -0.898 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.099 9.432 0.897 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.806 8.690 -0.694 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.001 7.661 0.745 1.00 0.00 H new ATOM 1031 N THR A 68 -2.062 8.827 1.587 1.00 0.00 N ATOM 1032 CA THR A 68 -1.009 9.828 1.705 1.00 0.00 C ATOM 1033 C THR A 68 0.363 9.173 1.812 1.00 0.00 C ATOM 1034 O THR A 68 1.374 9.766 1.438 1.00 0.00 O ATOM 1035 CB THR A 68 -1.230 10.733 2.932 1.00 0.00 C ATOM 1036 OG1 THR A 68 -0.267 11.792 2.939 1.00 0.00 O ATOM 1037 CG2 THR A 68 -1.122 9.934 4.221 1.00 0.00 C ATOM 0 H THR A 68 -2.799 8.905 2.288 1.00 0.00 H new ATOM 0 HA THR A 68 -1.049 10.436 0.801 1.00 0.00 H new ATOM 0 HB THR A 68 -2.233 11.155 2.868 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.415 12.364 3.721 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.282 10.595 5.073 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.876 9.147 4.226 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.130 9.487 4.290 1.00 0.00 H new ATOM 1045 N GLU A 69 0.391 7.947 2.325 1.00 0.00 N ATOM 1046 CA GLU A 69 1.641 7.212 2.480 1.00 0.00 C ATOM 1047 C GLU A 69 1.922 6.352 1.251 1.00 0.00 C ATOM 1048 O GLU A 69 2.946 6.517 0.587 1.00 0.00 O ATOM 1049 CB GLU A 69 1.589 6.333 3.731 1.00 0.00 C ATOM 1050 CG GLU A 69 2.030 7.049 4.997 1.00 0.00 C ATOM 1051 CD GLU A 69 3.503 6.851 5.296 1.00 0.00 C ATOM 1052 OE1 GLU A 69 4.011 5.733 5.068 1.00 0.00 O ATOM 1053 OE2 GLU A 69 4.148 7.815 5.759 1.00 0.00 O ATOM 0 H GLU A 69 -0.437 7.442 2.640 1.00 0.00 H new ATOM 0 HA GLU A 69 2.449 7.936 2.587 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.571 5.968 3.866 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.223 5.460 3.578 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.823 8.115 4.898 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.440 6.687 5.839 1.00 0.00 H new ATOM 1060 N ILE A 70 1.008 5.434 0.957 1.00 0.00 N ATOM 1061 CA ILE A 70 1.157 4.548 -0.191 1.00 0.00 C ATOM 1062 C ILE A 70 1.445 5.340 -1.462 1.00 0.00 C ATOM 1063 O ILE A 70 2.143 4.864 -2.357 1.00 0.00 O ATOM 1064 CB ILE A 70 -0.103 3.691 -0.408 1.00 0.00 C ATOM 1065 CG1 ILE A 70 -0.394 2.849 0.836 1.00 0.00 C ATOM 1066 CG2 ILE A 70 0.066 2.799 -1.630 1.00 0.00 C ATOM 1067 CD1 ILE A 70 0.681 1.829 1.141 1.00 0.00 C ATOM 0 H ILE A 70 0.156 5.284 1.498 1.00 0.00 H new ATOM 0 HA ILE A 70 2.000 3.891 0.024 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.950 4.355 -0.581 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.509 3.511 1.694 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.345 2.333 0.701 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.833 2.199 -1.770 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.230 3.418 -2.512 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.922 2.140 -1.484 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.408 1.269 2.035 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.781 1.143 0.300 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.630 2.339 1.308 1.00 0.00 H new ATOM 1079 N ASN A 71 0.903 6.551 -1.534 1.00 0.00 N ATOM 1080 CA ASN A 71 1.103 7.410 -2.696 1.00 0.00 C ATOM 1081 C ASN A 71 2.587 7.671 -2.931 1.00 0.00 C ATOM 1082 O ASN A 71 3.051 7.702 -4.071 1.00 0.00 O ATOM 1083 CB ASN A 71 0.364 8.737 -2.508 1.00 0.00 C ATOM 1084 CG ASN A 71 -1.097 8.646 -2.904 1.00 0.00 C ATOM 1085 OD1 ASN A 71 -1.579 7.585 -3.303 1.00 0.00 O ATOM 1086 ND2 ASN A 71 -1.810 9.761 -2.795 1.00 0.00 N ATOM 0 H ASN A 71 0.322 6.960 -0.802 1.00 0.00 H new ATOM 0 HA ASN A 71 0.700 6.897 -3.569 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.436 9.046 -1.465 1.00 0.00 H new ATOM 0 HB3 ASN A 71 0.852 9.509 -3.103 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.799 9.761 -3.047 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.369 10.618 -2.460 1.00 0.00 H new ATOM 1093 N LYS A 72 3.329 7.857 -1.844 1.00 0.00 N ATOM 1094 CA LYS A 72 4.762 8.113 -1.930 1.00 0.00 C ATOM 1095 C LYS A 72 5.543 6.808 -2.036 1.00 0.00 C ATOM 1096 O LYS A 72 6.540 6.727 -2.754 1.00 0.00 O ATOM 1097 CB LYS A 72 5.233 8.903 -0.707 1.00 0.00 C ATOM 1098 CG LYS A 72 6.742 9.056 -0.626 1.00 0.00 C ATOM 1099 CD LYS A 72 7.162 9.795 0.634 1.00 0.00 C ATOM 1100 CE LYS A 72 6.582 11.201 0.675 1.00 0.00 C ATOM 1101 NZ LYS A 72 7.420 12.123 1.490 1.00 0.00 N ATOM 0 H LYS A 72 2.961 7.835 -0.893 1.00 0.00 H new ATOM 0 HA LYS A 72 4.947 8.701 -2.829 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.776 9.893 -0.726 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.878 8.405 0.195 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.210 8.072 -0.644 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.101 9.596 -1.502 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.832 9.238 1.511 1.00 0.00 H new ATOM 0 HD3 LYS A 72 8.250 9.847 0.681 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.498 11.589 -0.340 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.574 11.166 1.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.991 13.071 1.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.480 11.767 2.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.375 12.177 1.082 1.00 0.00 H new ATOM 1115 N ILE A 73 5.082 5.788 -1.320 1.00 0.00 N ATOM 1116 CA ILE A 73 5.736 4.485 -1.337 1.00 0.00 C ATOM 1117 C ILE A 73 5.681 3.861 -2.728 1.00 0.00 C ATOM 1118 O ILE A 73 6.713 3.530 -3.313 1.00 0.00 O ATOM 1119 CB ILE A 73 5.092 3.518 -0.326 1.00 0.00 C ATOM 1120 CG1 ILE A 73 5.145 4.110 1.083 1.00 0.00 C ATOM 1121 CG2 ILE A 73 5.792 2.168 -0.366 1.00 0.00 C ATOM 1122 CD1 ILE A 73 4.350 3.322 2.100 1.00 0.00 C ATOM 0 H ILE A 73 4.258 5.839 -0.721 1.00 0.00 H new ATOM 0 HA ILE A 73 6.776 4.650 -1.056 1.00 0.00 H new ATOM 0 HB ILE A 73 4.047 3.372 -0.599 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.184 4.162 1.408 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.769 5.133 1.053 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.326 1.495 0.354 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.708 1.744 -1.367 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.845 2.296 -0.114 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.433 3.800 3.076 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.303 3.291 1.799 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.740 2.306 2.159 1.00 0.00 H new ATOM 1134 N LEU A 74 4.471 3.703 -3.251 1.00 0.00 N ATOM 1135 CA LEU A 74 4.280 3.119 -4.575 1.00 0.00 C ATOM 1136 C LEU A 74 5.116 3.852 -5.619 1.00 0.00 C ATOM 1137 O LEU A 74 5.599 3.250 -6.578 1.00 0.00 O ATOM 1138 CB LEU A 74 2.802 3.165 -4.966 1.00 0.00 C ATOM 1139 CG LEU A 74 1.922 2.052 -4.396 1.00 0.00 C ATOM 1140 CD1 LEU A 74 0.474 2.246 -4.819 1.00 0.00 C ATOM 1141 CD2 LEU A 74 2.432 0.689 -4.841 1.00 0.00 C ATOM 0 H LEU A 74 3.607 3.971 -2.779 1.00 0.00 H new ATOM 0 HA LEU A 74 4.608 2.080 -4.537 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.392 4.124 -4.648 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.733 3.134 -6.053 1.00 0.00 H new ATOM 0 HG LEU A 74 1.970 2.098 -3.308 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.137 1.444 -4.404 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.113 3.206 -4.450 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.407 2.227 -5.907 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.794 -0.091 -4.426 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.415 0.632 -5.929 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.453 0.549 -4.487 1.00 0.00 H new ATOM 1153 N LYS A 75 5.286 5.156 -5.424 1.00 0.00 N ATOM 1154 CA LYS A 75 6.068 5.972 -6.346 1.00 0.00 C ATOM 1155 C LYS A 75 7.560 5.838 -6.061 1.00 0.00 C ATOM 1156 O LYS A 75 8.390 6.024 -6.949 1.00 0.00 O ATOM 1157 CB LYS A 75 5.648 7.440 -6.242 1.00 0.00 C ATOM 1158 CG LYS A 75 5.988 8.259 -7.474 1.00 0.00 C ATOM 1159 CD LYS A 75 4.912 8.138 -8.540 1.00 0.00 C ATOM 1160 CE LYS A 75 4.376 9.502 -8.948 1.00 0.00 C ATOM 1161 NZ LYS A 75 5.313 10.215 -9.861 1.00 0.00 N ATOM 0 H LYS A 75 4.893 5.670 -4.636 1.00 0.00 H new ATOM 0 HA LYS A 75 5.876 5.616 -7.358 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.573 7.490 -6.068 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.132 7.887 -5.374 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.108 9.306 -7.194 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.943 7.926 -7.881 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.320 7.630 -9.414 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.095 7.522 -8.165 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.411 9.381 -9.440 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.206 10.107 -8.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.912 11.140 -10.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.226 10.353 -9.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.456 9.650 -10.722 1.00 0.00 H new ATOM 1175 N ASN A 76 7.893 5.511 -4.816 1.00 0.00 N ATOM 1176 CA ASN A 76 9.286 5.351 -4.415 1.00 0.00 C ATOM 1177 C ASN A 76 9.914 4.142 -5.100 1.00 0.00 C ATOM 1178 O ASN A 76 10.898 4.269 -5.829 1.00 0.00 O ATOM 1179 CB ASN A 76 9.386 5.200 -2.895 1.00 0.00 C ATOM 1180 CG ASN A 76 10.457 6.090 -2.295 1.00 0.00 C ATOM 1181 OD1 ASN A 76 11.643 5.934 -2.584 1.00 0.00 O ATOM 1182 ND2 ASN A 76 10.042 7.030 -1.454 1.00 0.00 N ATOM 0 H ASN A 76 7.218 5.352 -4.068 1.00 0.00 H new ATOM 0 HA ASN A 76 9.832 6.243 -4.722 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.423 5.441 -2.445 1.00 0.00 H new ATOM 0 HB3 ASN A 76 9.602 4.160 -2.649 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.717 7.659 -1.019 1.00 0.00 H new ATOM 0 HD22 ASN A 76 9.048 7.123 -1.243 1.00 0.00 H new ATOM 1189 N LEU A 77 9.338 2.968 -4.862 1.00 0.00 N ATOM 1190 CA LEU A 77 9.840 1.735 -5.456 1.00 0.00 C ATOM 1191 C LEU A 77 9.987 1.879 -6.967 1.00 0.00 C ATOM 1192 O LEU A 77 10.928 1.353 -7.562 1.00 0.00 O ATOM 1193 CB LEU A 77 8.902 0.570 -5.132 1.00 0.00 C ATOM 1194 CG LEU A 77 9.124 -0.115 -3.784 1.00 0.00 C ATOM 1195 CD1 LEU A 77 7.970 -1.053 -3.466 1.00 0.00 C ATOM 1196 CD2 LEU A 77 10.445 -0.871 -3.780 1.00 0.00 C ATOM 0 H LEU A 77 8.523 2.845 -4.261 1.00 0.00 H new ATOM 0 HA LEU A 77 10.823 1.531 -5.032 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.876 0.936 -5.166 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.000 -0.179 -5.918 1.00 0.00 H new ATOM 0 HG LEU A 77 9.166 0.652 -3.011 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.145 -1.532 -2.503 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.040 -0.485 -3.425 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.896 -1.815 -4.242 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.586 -1.352 -2.812 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.433 -1.629 -4.564 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.263 -0.174 -3.961 1.00 0.00 H new ATOM 1208 N GLU A 78 9.053 2.597 -7.582 1.00 0.00 N ATOM 1209 CA GLU A 78 9.080 2.812 -9.024 1.00 0.00 C ATOM 1210 C GLU A 78 10.398 3.449 -9.454 1.00 0.00 C ATOM 1211 O GLU A 78 11.122 2.901 -10.287 1.00 0.00 O ATOM 1212 CB GLU A 78 7.909 3.698 -9.453 1.00 0.00 C ATOM 1213 CG GLU A 78 7.612 3.636 -10.941 1.00 0.00 C ATOM 1214 CD GLU A 78 7.905 4.945 -11.650 1.00 0.00 C ATOM 1215 OE1 GLU A 78 7.621 6.012 -11.067 1.00 0.00 O ATOM 1216 OE2 GLU A 78 8.418 4.901 -12.787 1.00 0.00 O ATOM 0 H GLU A 78 8.268 3.040 -7.104 1.00 0.00 H new ATOM 0 HA GLU A 78 8.989 1.841 -9.512 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.018 3.400 -8.901 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.125 4.730 -9.177 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.205 2.841 -11.393 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.564 3.374 -11.088 1.00 0.00 H new ATOM 1223 N SER A 79 10.703 4.609 -8.882 1.00 0.00 N ATOM 1224 CA SER A 79 11.932 5.323 -9.208 1.00 0.00 C ATOM 1225 C SER A 79 13.154 4.445 -8.958 1.00 0.00 C ATOM 1226 O SER A 79 14.140 4.509 -9.692 1.00 0.00 O ATOM 1227 CB SER A 79 12.035 6.607 -8.383 1.00 0.00 C ATOM 1228 OG SER A 79 13.319 7.193 -8.510 1.00 0.00 O ATOM 0 H SER A 79 10.116 5.075 -8.190 1.00 0.00 H new ATOM 0 HA SER A 79 11.903 5.581 -10.267 1.00 0.00 H new ATOM 0 HB2 SER A 79 11.274 7.316 -8.711 1.00 0.00 H new ATOM 0 HB3 SER A 79 11.835 6.386 -7.335 1.00 0.00 H new ATOM 0 HG SER A 79 13.359 8.013 -7.975 1.00 0.00 H new ATOM 1234 N LYS A 80 13.081 3.624 -7.916 1.00 0.00 N ATOM 1235 CA LYS A 80 14.179 2.730 -7.567 1.00 0.00 C ATOM 1236 C LYS A 80 14.349 1.640 -8.620 1.00 0.00 C ATOM 1237 O LYS A 80 15.354 0.929 -8.636 1.00 0.00 O ATOM 1238 CB LYS A 80 13.933 2.097 -6.196 1.00 0.00 C ATOM 1239 CG LYS A 80 13.499 3.093 -5.135 1.00 0.00 C ATOM 1240 CD LYS A 80 14.364 2.993 -3.889 1.00 0.00 C ATOM 1241 CE LYS A 80 13.546 3.204 -2.624 1.00 0.00 C ATOM 1242 NZ LYS A 80 13.308 1.926 -1.897 1.00 0.00 N ATOM 0 H LYS A 80 12.272 3.559 -7.298 1.00 0.00 H new ATOM 0 HA LYS A 80 15.095 3.319 -7.529 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.168 1.326 -6.293 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.846 1.601 -5.865 1.00 0.00 H new ATOM 0 HG2 LYS A 80 13.556 4.104 -5.539 1.00 0.00 H new ATOM 0 HG3 LYS A 80 12.457 2.914 -4.871 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.843 2.014 -3.855 1.00 0.00 H new ATOM 0 HD3 LYS A 80 15.160 3.736 -3.937 1.00 0.00 H new ATOM 0 HE2 LYS A 80 14.065 3.903 -1.969 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.589 3.659 -2.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 12.747 2.113 -1.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 12.790 1.267 -2.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 14.220 1.504 -1.628 1.00 0.00 H new ATOM 1256 N LYS A 81 13.360 1.514 -9.499 1.00 0.00 N ATOM 1257 CA LYS A 81 13.400 0.512 -10.557 1.00 0.00 C ATOM 1258 C LYS A 81 13.402 -0.897 -9.973 1.00 0.00 C ATOM 1259 O LYS A 81 14.020 -1.809 -10.525 1.00 0.00 O ATOM 1260 CB LYS A 81 14.640 0.714 -11.432 1.00 0.00 C ATOM 1261 CG LYS A 81 14.364 0.573 -12.919 1.00 0.00 C ATOM 1262 CD LYS A 81 15.187 1.557 -13.734 1.00 0.00 C ATOM 1263 CE LYS A 81 15.862 0.875 -14.915 1.00 0.00 C ATOM 1264 NZ LYS A 81 14.894 0.563 -16.003 1.00 0.00 N ATOM 0 H LYS A 81 12.521 2.094 -9.499 1.00 0.00 H new ATOM 0 HA LYS A 81 12.506 0.631 -11.170 1.00 0.00 H new ATOM 0 HB2 LYS A 81 15.053 1.704 -11.240 1.00 0.00 H new ATOM 0 HB3 LYS A 81 15.401 -0.010 -11.142 1.00 0.00 H new ATOM 0 HG2 LYS A 81 14.591 -0.444 -13.237 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.304 0.738 -13.111 1.00 0.00 H new ATOM 0 HD2 LYS A 81 14.544 2.360 -14.095 1.00 0.00 H new ATOM 0 HD3 LYS A 81 15.943 2.016 -13.097 1.00 0.00 H new ATOM 0 HE2 LYS A 81 16.650 1.519 -15.304 1.00 0.00 H new ATOM 0 HE3 LYS A 81 16.339 -0.045 -14.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 15.393 0.099 -16.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 14.155 -0.072 -15.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 14.457 1.444 -16.342 1.00 0.00 H new ATOM 1278 N LEU A 82 12.705 -1.070 -8.855 1.00 0.00 N ATOM 1279 CA LEU A 82 12.625 -2.369 -8.197 1.00 0.00 C ATOM 1280 C LEU A 82 11.325 -3.082 -8.557 1.00 0.00 C ATOM 1281 O LEU A 82 11.252 -4.311 -8.527 1.00 0.00 O ATOM 1282 CB LEU A 82 12.724 -2.201 -6.680 1.00 0.00 C ATOM 1283 CG LEU A 82 14.104 -1.833 -6.134 1.00 0.00 C ATOM 1284 CD1 LEU A 82 14.031 -1.556 -4.641 1.00 0.00 C ATOM 1285 CD2 LEU A 82 15.106 -2.941 -6.425 1.00 0.00 C ATOM 0 H LEU A 82 12.187 -0.327 -8.386 1.00 0.00 H new ATOM 0 HA LEU A 82 13.460 -2.977 -8.544 1.00 0.00 H new ATOM 0 HB2 LEU A 82 12.017 -1.431 -6.373 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.406 -3.132 -6.210 1.00 0.00 H new ATOM 0 HG LEU A 82 14.441 -0.925 -6.635 1.00 0.00 H new ATOM 0 HD11 LEU A 82 15.022 -1.296 -4.270 1.00 0.00 H new ATOM 0 HD12 LEU A 82 13.346 -0.728 -4.458 1.00 0.00 H new ATOM 0 HD13 LEU A 82 13.672 -2.445 -4.123 1.00 0.00 H new ATOM 0 HD21 LEU A 82 16.082 -2.662 -6.029 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.774 -3.865 -5.952 1.00 0.00 H new ATOM 0 HD23 LEU A 82 15.180 -3.091 -7.502 1.00 0.00 H new ATOM 1297 N ILE A 83 10.304 -2.304 -8.899 1.00 0.00 N ATOM 1298 CA ILE A 83 9.009 -2.861 -9.269 1.00 0.00 C ATOM 1299 C ILE A 83 8.584 -2.391 -10.655 1.00 0.00 C ATOM 1300 O ILE A 83 9.269 -1.589 -11.289 1.00 0.00 O ATOM 1301 CB ILE A 83 7.919 -2.476 -8.251 1.00 0.00 C ATOM 1302 CG1 ILE A 83 7.781 -0.954 -8.172 1.00 0.00 C ATOM 1303 CG2 ILE A 83 8.243 -3.056 -6.883 1.00 0.00 C ATOM 1304 CD1 ILE A 83 6.710 -0.494 -7.207 1.00 0.00 C ATOM 0 H ILE A 83 10.349 -1.285 -8.928 1.00 0.00 H new ATOM 0 HA ILE A 83 9.122 -3.945 -9.275 1.00 0.00 H new ATOM 0 HB ILE A 83 6.968 -2.892 -8.583 1.00 0.00 H new ATOM 0 HG12 ILE A 83 8.737 -0.526 -7.872 1.00 0.00 H new ATOM 0 HG13 ILE A 83 7.555 -0.566 -9.165 1.00 0.00 H new ATOM 0 HG21 ILE A 83 7.463 -2.775 -6.175 1.00 0.00 H new ATOM 0 HG22 ILE A 83 8.296 -4.143 -6.952 1.00 0.00 H new ATOM 0 HG23 ILE A 83 9.202 -2.667 -6.541 1.00 0.00 H new ATOM 0 HD11 ILE A 83 6.668 0.595 -7.202 1.00 0.00 H new ATOM 0 HD12 ILE A 83 5.744 -0.893 -7.518 1.00 0.00 H new ATOM 0 HD13 ILE A 83 6.945 -0.852 -6.205 1.00 0.00 H new ATOM 1316 N LYS A 84 7.446 -2.896 -11.122 1.00 0.00 N ATOM 1317 CA LYS A 84 6.926 -2.526 -12.433 1.00 0.00 C ATOM 1318 C LYS A 84 5.420 -2.290 -12.373 1.00 0.00 C ATOM 1319 O LYS A 84 4.656 -3.182 -12.006 1.00 0.00 O ATOM 1320 CB LYS A 84 7.241 -3.619 -13.456 1.00 0.00 C ATOM 1321 CG LYS A 84 6.657 -4.975 -13.097 1.00 0.00 C ATOM 1322 CD LYS A 84 7.302 -6.091 -13.902 1.00 0.00 C ATOM 1323 CE LYS A 84 6.267 -6.881 -14.687 1.00 0.00 C ATOM 1324 NZ LYS A 84 6.732 -8.265 -14.983 1.00 0.00 N ATOM 0 H LYS A 84 6.867 -3.563 -10.612 1.00 0.00 H new ATOM 0 HA LYS A 84 7.410 -1.599 -12.740 1.00 0.00 H new ATOM 0 HB2 LYS A 84 6.858 -3.314 -14.430 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.323 -3.713 -13.554 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.800 -5.163 -12.033 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.582 -4.969 -13.278 1.00 0.00 H new ATOM 0 HD2 LYS A 84 8.036 -5.669 -14.588 1.00 0.00 H new ATOM 0 HD3 LYS A 84 7.841 -6.761 -13.231 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.337 -6.924 -14.120 1.00 0.00 H new ATOM 0 HE3 LYS A 84 6.048 -6.364 -15.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.998 -8.771 -15.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 7.606 -8.225 -15.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 6.917 -8.767 -14.091 1.00 0.00 H new ATOM 1338 N ALA A 85 5.000 -1.082 -12.738 1.00 0.00 N ATOM 1339 CA ALA A 85 3.586 -0.730 -12.729 1.00 0.00 C ATOM 1340 C ALA A 85 2.874 -1.288 -13.957 1.00 0.00 C ATOM 1341 O ALA A 85 3.428 -1.301 -15.056 1.00 0.00 O ATOM 1342 CB ALA A 85 3.418 0.780 -12.660 1.00 0.00 C ATOM 0 H ALA A 85 5.620 -0.331 -13.043 1.00 0.00 H new ATOM 0 HA ALA A 85 3.132 -1.175 -11.844 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.357 1.028 -12.654 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.884 1.157 -11.749 1.00 0.00 H new ATOM 0 HB3 ALA A 85 3.893 1.239 -13.527 1.00 0.00 H new ATOM 1348 N VAL A 86 1.642 -1.749 -13.762 1.00 0.00 N ATOM 1349 CA VAL A 86 0.854 -2.307 -14.854 1.00 0.00 C ATOM 1350 C VAL A 86 -0.541 -1.693 -14.896 1.00 0.00 C ATOM 1351 O VAL A 86 -1.331 -1.855 -13.966 1.00 0.00 O ATOM 1352 CB VAL A 86 0.725 -3.837 -14.728 1.00 0.00 C ATOM 1353 CG1 VAL A 86 2.026 -4.517 -15.125 1.00 0.00 C ATOM 1354 CG2 VAL A 86 0.323 -4.222 -13.312 1.00 0.00 C ATOM 0 H VAL A 86 1.169 -1.747 -12.858 1.00 0.00 H new ATOM 0 HA VAL A 86 1.381 -2.068 -15.778 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.056 -4.176 -15.408 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.916 -5.597 -15.030 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.267 -4.267 -16.158 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.829 -4.175 -14.472 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.236 -5.306 -13.240 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.080 -3.871 -12.611 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.636 -3.765 -13.069 1.00 0.00 H new ATOM 1364 N LYS A 87 -0.838 -0.987 -15.982 1.00 0.00 N ATOM 1365 CA LYS A 87 -2.138 -0.348 -16.148 1.00 0.00 C ATOM 1366 C LYS A 87 -3.038 -1.176 -17.059 1.00 0.00 C ATOM 1367 O LYS A 87 -2.587 -1.718 -18.067 1.00 0.00 O ATOM 1368 CB LYS A 87 -1.968 1.060 -16.723 1.00 0.00 C ATOM 1369 CG LYS A 87 -1.444 1.075 -18.148 1.00 0.00 C ATOM 1370 CD LYS A 87 -1.379 2.488 -18.703 1.00 0.00 C ATOM 1371 CE LYS A 87 -0.175 2.674 -19.615 1.00 0.00 C ATOM 1372 NZ LYS A 87 -0.496 3.534 -20.787 1.00 0.00 N ATOM 0 H LYS A 87 -0.195 -0.843 -16.761 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.609 -0.278 -15.167 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.929 1.574 -16.692 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.285 1.623 -16.087 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -0.451 0.626 -18.176 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.088 0.464 -18.780 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -2.293 2.705 -19.256 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -1.327 3.201 -17.880 1.00 0.00 H new ATOM 0 HE2 LYS A 87 0.643 3.120 -19.050 1.00 0.00 H new ATOM 0 HE3 LYS A 87 0.171 1.701 -19.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 0.349 3.637 -21.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -1.260 3.096 -21.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -0.802 4.471 -20.456 1.00 0.00 H new