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 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc=-0.00115 K(o=-0.0012,f=-3.1!) 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 111:sc= 0.00654 USER MOD Single : A 64 ASN : amide:sc= -0.347 K(o=-0.35,f=-0.99) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.811 K(o=-0.81,f=-2.9!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.0227 X(o=-0.023,f=-0.5) 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 -5.512 0.954 -9.944 1.00 0.00 N ATOM 230 CA LEU A 19 -4.407 0.522 -10.794 1.00 0.00 C ATOM 231 C LEU A 19 -3.751 -0.736 -10.235 1.00 0.00 C ATOM 232 O LEU A 19 -3.825 -1.008 -9.036 1.00 0.00 O ATOM 233 CB LEU A 19 -3.369 1.639 -10.921 1.00 0.00 C ATOM 234 CG LEU A 19 -3.403 2.442 -12.222 1.00 0.00 C ATOM 235 CD1 LEU A 19 -3.175 3.919 -11.943 1.00 0.00 C ATOM 236 CD2 LEU A 19 -2.364 1.915 -13.201 1.00 0.00 C ATOM 0 HA LEU A 19 -4.808 0.293 -11.781 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.503 2.329 -10.088 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.377 1.200 -10.814 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.389 2.327 -12.673 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.203 4.475 -12.880 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.956 4.289 -11.279 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.202 4.054 -11.470 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.402 2.498 -14.121 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.371 2.000 -12.759 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.573 0.869 -13.425 1.00 0.00 H new ATOM 248 N LEU A 20 -3.108 -1.500 -11.111 1.00 0.00 N ATOM 249 CA LEU A 20 -2.435 -2.729 -10.706 1.00 0.00 C ATOM 250 C LEU A 20 -0.935 -2.504 -10.551 1.00 0.00 C ATOM 251 O LEU A 20 -0.354 -1.645 -11.215 1.00 0.00 O ATOM 252 CB LEU A 20 -2.694 -3.837 -11.729 1.00 0.00 C ATOM 253 CG LEU A 20 -2.364 -5.259 -11.276 1.00 0.00 C ATOM 254 CD1 LEU A 20 -3.121 -5.603 -10.003 1.00 0.00 C ATOM 255 CD2 LEU A 20 -2.689 -6.258 -12.378 1.00 0.00 C ATOM 0 H LEU A 20 -3.038 -1.290 -12.107 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.839 -3.033 -9.740 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.746 -3.803 -12.014 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.114 -3.619 -12.626 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.296 -5.314 -11.065 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.873 -6.619 -9.696 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.840 -4.906 -9.213 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.193 -5.530 -10.186 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.448 -7.265 -12.039 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.750 -6.201 -12.620 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.102 -6.024 -13.266 1.00 0.00 H new ATOM 267 N TYR A 21 -0.312 -3.282 -9.673 1.00 0.00 N ATOM 268 CA TYR A 21 1.121 -3.168 -9.432 1.00 0.00 C ATOM 269 C TYR A 21 1.774 -4.545 -9.366 1.00 0.00 C ATOM 270 O TYR A 21 1.115 -5.544 -9.076 1.00 0.00 O ATOM 271 CB TYR A 21 1.381 -2.405 -8.132 1.00 0.00 C ATOM 272 CG TYR A 21 1.519 -0.912 -8.323 1.00 0.00 C ATOM 273 CD1 TYR A 21 0.407 -0.080 -8.276 1.00 0.00 C ATOM 274 CD2 TYR A 21 2.761 -0.333 -8.552 1.00 0.00 C ATOM 275 CE1 TYR A 21 0.529 1.285 -8.451 1.00 0.00 C ATOM 276 CE2 TYR A 21 2.892 1.031 -8.726 1.00 0.00 C ATOM 277 CZ TYR A 21 1.773 1.836 -8.675 1.00 0.00 C ATOM 278 OH TYR A 21 1.899 3.195 -8.850 1.00 0.00 O ATOM 0 H TYR A 21 -0.777 -3.999 -9.116 1.00 0.00 H new ATOM 0 HA TYR A 21 1.561 -2.617 -10.263 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.564 -2.600 -7.437 1.00 0.00 H new ATOM 0 HB3 TYR A 21 2.291 -2.789 -7.671 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.569 -0.508 -8.100 1.00 0.00 H new ATOM 0 HD2 TYR A 21 3.639 -0.960 -8.595 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -0.346 1.917 -8.413 1.00 0.00 H new ATOM 0 HE2 TYR A 21 3.865 1.465 -8.901 1.00 0.00 H new ATOM 0 HH TYR A 21 2.842 3.420 -8.996 1.00 0.00 H new ATOM 288 N ARG A 22 3.075 -4.589 -9.637 1.00 0.00 N ATOM 289 CA ARG A 22 3.818 -5.843 -9.609 1.00 0.00 C ATOM 290 C ARG A 22 5.304 -5.589 -9.369 1.00 0.00 C ATOM 291 O ARG A 22 5.807 -4.496 -9.631 1.00 0.00 O ATOM 292 CB ARG A 22 3.626 -6.604 -10.922 1.00 0.00 C ATOM 293 CG ARG A 22 2.420 -7.529 -10.919 1.00 0.00 C ATOM 294 CD ARG A 22 2.436 -8.468 -12.115 1.00 0.00 C ATOM 295 NE ARG A 22 1.595 -7.981 -13.205 1.00 0.00 N ATOM 296 CZ ARG A 22 1.620 -8.484 -14.434 1.00 0.00 C ATOM 297 NH1 ARG A 22 2.439 -9.485 -14.727 1.00 0.00 N ATOM 298 NH2 ARG A 22 0.825 -7.987 -15.373 1.00 0.00 N ATOM 0 H ARG A 22 3.635 -3.771 -9.878 1.00 0.00 H new ATOM 0 HA ARG A 22 3.432 -6.446 -8.787 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.521 -5.887 -11.736 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.522 -7.190 -11.127 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.409 -8.111 -9.998 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.505 -6.936 -10.932 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.460 -8.584 -12.471 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.093 -9.455 -11.805 1.00 0.00 H new ATOM 0 HE ARG A 22 0.953 -7.212 -13.012 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.051 -9.870 -14.008 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.457 -9.870 -15.671 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.193 -7.217 -15.152 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.846 -8.375 -16.316 1.00 0.00 H new ATOM 312 N ILE A 23 5.999 -6.605 -8.870 1.00 0.00 N ATOM 313 CA ILE A 23 7.426 -6.491 -8.595 1.00 0.00 C ATOM 314 C ILE A 23 8.252 -6.816 -9.835 1.00 0.00 C ATOM 315 O ILE A 23 7.795 -7.526 -10.731 1.00 0.00 O ATOM 316 CB ILE A 23 7.855 -7.424 -7.447 1.00 0.00 C ATOM 317 CG1 ILE A 23 7.504 -8.875 -7.782 1.00 0.00 C ATOM 318 CG2 ILE A 23 7.192 -7.000 -6.145 1.00 0.00 C ATOM 319 CD1 ILE A 23 8.358 -9.887 -7.051 1.00 0.00 C ATOM 0 H ILE A 23 5.598 -7.516 -8.648 1.00 0.00 H new ATOM 0 HA ILE A 23 7.609 -5.458 -8.300 1.00 0.00 H new ATOM 0 HB ILE A 23 8.935 -7.351 -7.323 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.456 -9.052 -7.539 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.612 -9.028 -8.856 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.505 -7.669 -5.343 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.487 -5.979 -5.902 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.109 -7.048 -6.256 1.00 0.00 H new ATOM 0 HD11 ILE A 23 8.054 -10.894 -7.337 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.405 -9.736 -7.313 1.00 0.00 H new ATOM 0 HD13 ILE A 23 8.231 -9.761 -5.976 1.00 0.00 H new ATOM 331 N LYS A 24 9.473 -6.293 -9.880 1.00 0.00 N ATOM 332 CA LYS A 24 10.366 -6.530 -11.008 1.00 0.00 C ATOM 333 C LYS A 24 11.447 -7.543 -10.643 1.00 0.00 C ATOM 334 O LYS A 24 12.085 -7.434 -9.596 1.00 0.00 O ATOM 335 CB LYS A 24 11.013 -5.217 -11.456 1.00 0.00 C ATOM 336 CG LYS A 24 10.983 -5.007 -12.960 1.00 0.00 C ATOM 337 CD LYS A 24 12.381 -4.810 -13.523 1.00 0.00 C ATOM 338 CE LYS A 24 12.390 -4.921 -15.040 1.00 0.00 C ATOM 339 NZ LYS A 24 13.634 -5.568 -15.541 1.00 0.00 N ATOM 0 H LYS A 24 9.867 -5.702 -9.148 1.00 0.00 H new ATOM 0 HA LYS A 24 9.775 -6.936 -11.829 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.501 -4.386 -10.971 1.00 0.00 H new ATOM 0 HB3 LYS A 24 12.048 -5.197 -11.115 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.514 -5.867 -13.439 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.369 -4.137 -13.195 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.760 -3.832 -13.226 1.00 0.00 H new ATOM 0 HD3 LYS A 24 13.054 -5.555 -13.098 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.524 -5.497 -15.367 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.296 -3.927 -15.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.602 -5.625 -16.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.459 -5.005 -15.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.711 -6.526 -15.144 1.00 0.00 H new ATOM 583 N LEU A 41 7.362 -3.385 3.617 1.00 0.00 N ATOM 584 CA LEU A 41 6.059 -3.979 3.895 1.00 0.00 C ATOM 585 C LEU A 41 5.203 -4.028 2.634 1.00 0.00 C ATOM 586 O LEU A 41 4.453 -4.981 2.416 1.00 0.00 O ATOM 587 CB LEU A 41 5.336 -3.185 4.985 1.00 0.00 C ATOM 588 CG LEU A 41 3.914 -3.639 5.315 1.00 0.00 C ATOM 589 CD1 LEU A 41 3.932 -4.998 5.997 1.00 0.00 C ATOM 590 CD2 LEU A 41 3.215 -2.610 6.192 1.00 0.00 C ATOM 0 HA LEU A 41 6.220 -4.999 4.243 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.932 -3.232 5.897 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.301 -2.139 4.681 1.00 0.00 H new ATOM 0 HG LEU A 41 3.357 -3.730 4.382 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.911 -5.305 6.224 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.392 -5.731 5.335 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.506 -4.934 6.922 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.204 -2.950 6.417 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.771 -2.486 7.121 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.169 -1.656 5.667 1.00 0.00 H new ATOM 602 N VAL A 42 5.321 -2.997 1.804 1.00 0.00 N ATOM 603 CA VAL A 42 4.560 -2.924 0.562 1.00 0.00 C ATOM 604 C VAL A 42 5.130 -3.872 -0.487 1.00 0.00 C ATOM 605 O VAL A 42 4.391 -4.618 -1.132 1.00 0.00 O ATOM 606 CB VAL A 42 4.551 -1.492 -0.007 1.00 0.00 C ATOM 607 CG1 VAL A 42 3.776 -1.443 -1.315 1.00 0.00 C ATOM 608 CG2 VAL A 42 3.965 -0.521 1.006 1.00 0.00 C ATOM 0 H VAL A 42 5.936 -2.200 1.969 1.00 0.00 H new ATOM 0 HA VAL A 42 3.538 -3.220 0.798 1.00 0.00 H new ATOM 0 HB VAL A 42 5.579 -1.193 -0.210 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.780 -0.424 -1.702 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.244 -2.109 -2.040 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.748 -1.761 -1.141 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.966 0.486 0.588 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.942 -0.815 1.242 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.566 -0.537 1.915 1.00 0.00 H new ATOM 618 N TYR A 43 6.447 -3.839 -0.654 1.00 0.00 N ATOM 619 CA TYR A 43 7.116 -4.694 -1.627 1.00 0.00 C ATOM 620 C TYR A 43 6.762 -6.161 -1.397 1.00 0.00 C ATOM 621 O TYR A 43 6.712 -6.952 -2.338 1.00 0.00 O ATOM 622 CB TYR A 43 8.632 -4.505 -1.546 1.00 0.00 C ATOM 623 CG TYR A 43 9.386 -5.166 -2.678 1.00 0.00 C ATOM 624 CD1 TYR A 43 9.799 -6.489 -2.585 1.00 0.00 C ATOM 625 CD2 TYR A 43 9.684 -4.467 -3.841 1.00 0.00 C ATOM 626 CE1 TYR A 43 10.489 -7.096 -3.617 1.00 0.00 C ATOM 627 CE2 TYR A 43 10.371 -5.066 -4.879 1.00 0.00 C ATOM 628 CZ TYR A 43 10.772 -6.381 -4.761 1.00 0.00 C ATOM 629 OH TYR A 43 11.458 -6.982 -5.792 1.00 0.00 O ATOM 0 H TYR A 43 7.073 -3.229 -0.128 1.00 0.00 H new ATOM 0 HA TYR A 43 6.773 -4.408 -2.621 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.857 -3.439 -1.545 1.00 0.00 H new ATOM 0 HB3 TYR A 43 8.990 -4.908 -0.598 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.577 -7.053 -1.691 1.00 0.00 H new ATOM 0 HD2 TYR A 43 9.373 -3.437 -3.935 1.00 0.00 H new ATOM 0 HE1 TYR A 43 10.805 -8.125 -3.528 1.00 0.00 H new ATOM 0 HE2 TYR A 43 10.593 -4.509 -5.777 1.00 0.00 H new ATOM 0 HH TYR A 43 11.575 -6.342 -6.525 1.00 0.00 H new ATOM 639 N GLN A 44 6.518 -6.514 -0.140 1.00 0.00 N ATOM 640 CA GLN A 44 6.168 -7.884 0.214 1.00 0.00 C ATOM 641 C GLN A 44 4.788 -8.250 -0.322 1.00 0.00 C ATOM 642 O GLN A 44 4.585 -9.349 -0.841 1.00 0.00 O ATOM 643 CB GLN A 44 6.203 -8.066 1.733 1.00 0.00 C ATOM 644 CG GLN A 44 7.593 -8.346 2.281 1.00 0.00 C ATOM 645 CD GLN A 44 7.887 -9.829 2.394 1.00 0.00 C ATOM 646 OE1 GLN A 44 7.615 -10.451 3.421 1.00 0.00 O ATOM 647 NE2 GLN A 44 8.447 -10.404 1.336 1.00 0.00 N ATOM 0 H GLN A 44 6.556 -5.871 0.650 1.00 0.00 H new ATOM 0 HA GLN A 44 6.902 -8.548 -0.242 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.809 -7.167 2.207 1.00 0.00 H new ATOM 0 HB3 GLN A 44 5.541 -8.887 2.007 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.336 -7.880 1.633 1.00 0.00 H new ATOM 0 HG3 GLN A 44 7.692 -7.884 3.263 1.00 0.00 H new ATOM 0 HE21 GLN A 44 8.655 -9.850 0.505 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.669 -11.399 1.354 1.00 0.00 H new ATOM 656 N ILE A 45 3.844 -7.324 -0.194 1.00 0.00 N ATOM 657 CA ILE A 45 2.484 -7.550 -0.667 1.00 0.00 C ATOM 658 C ILE A 45 2.434 -7.609 -2.190 1.00 0.00 C ATOM 659 O ILE A 45 1.756 -8.461 -2.766 1.00 0.00 O ATOM 660 CB ILE A 45 1.527 -6.448 -0.176 1.00 0.00 C ATOM 661 CG1 ILE A 45 1.573 -6.345 1.350 1.00 0.00 C ATOM 662 CG2 ILE A 45 0.109 -6.726 -0.651 1.00 0.00 C ATOM 663 CD1 ILE A 45 0.850 -5.134 1.896 1.00 0.00 C ATOM 0 H ILE A 45 3.996 -6.410 0.233 1.00 0.00 H new ATOM 0 HA ILE A 45 2.163 -8.508 -0.258 1.00 0.00 H new ATOM 0 HB ILE A 45 1.849 -5.495 -0.596 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.134 -7.245 1.780 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.614 -6.313 1.673 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.555 -5.938 -0.296 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.089 -6.753 -1.740 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.225 -7.686 -0.258 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.924 -5.126 2.983 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.304 -4.228 1.495 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.199 -5.174 1.604 1.00 0.00 H new ATOM 675 N ILE A 46 3.158 -6.701 -2.836 1.00 0.00 N ATOM 676 CA ILE A 46 3.198 -6.652 -4.292 1.00 0.00 C ATOM 677 C ILE A 46 3.926 -7.865 -4.862 1.00 0.00 C ATOM 678 O ILE A 46 3.583 -8.358 -5.936 1.00 0.00 O ATOM 679 CB ILE A 46 3.889 -5.370 -4.793 1.00 0.00 C ATOM 680 CG1 ILE A 46 3.188 -4.133 -4.228 1.00 0.00 C ATOM 681 CG2 ILE A 46 3.897 -5.333 -6.314 1.00 0.00 C ATOM 682 CD1 ILE A 46 3.878 -2.834 -4.581 1.00 0.00 C ATOM 0 H ILE A 46 3.725 -5.990 -2.374 1.00 0.00 H new ATOM 0 HA ILE A 46 2.164 -6.656 -4.637 1.00 0.00 H new ATOM 0 HB ILE A 46 4.921 -5.371 -4.444 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.164 -4.104 -4.600 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.131 -4.222 -3.143 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.389 -4.421 -6.653 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.436 -6.200 -6.696 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.872 -5.352 -6.684 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.326 -2.000 -4.148 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.894 -2.842 -4.185 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.912 -2.723 -5.665 1.00 0.00 H new ATOM 694 N GLU A 47 4.932 -8.341 -4.135 1.00 0.00 N ATOM 695 CA GLU A 47 5.707 -9.497 -4.569 1.00 0.00 C ATOM 696 C GLU A 47 4.872 -10.772 -4.496 1.00 0.00 C ATOM 697 O GLU A 47 4.911 -11.605 -5.401 1.00 0.00 O ATOM 698 CB GLU A 47 6.964 -9.648 -3.709 1.00 0.00 C ATOM 699 CG GLU A 47 7.793 -10.874 -4.054 1.00 0.00 C ATOM 700 CD GLU A 47 8.044 -11.765 -2.852 1.00 0.00 C ATOM 701 OE1 GLU A 47 8.252 -11.223 -1.746 1.00 0.00 O ATOM 702 OE2 GLU A 47 8.032 -13.002 -3.018 1.00 0.00 O ATOM 0 H GLU A 47 5.229 -7.944 -3.244 1.00 0.00 H new ATOM 0 HA GLU A 47 6.001 -9.336 -5.606 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.582 -8.758 -3.824 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.672 -9.700 -2.660 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.282 -11.448 -4.827 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.748 -10.556 -4.472 1.00 0.00 H new ATOM 709 N ASP A 48 4.117 -10.916 -3.412 1.00 0.00 N ATOM 710 CA ASP A 48 3.271 -12.088 -3.219 1.00 0.00 C ATOM 711 C ASP A 48 2.329 -12.279 -4.404 1.00 0.00 C ATOM 712 O ASP A 48 1.902 -13.395 -4.696 1.00 0.00 O ATOM 713 CB ASP A 48 2.465 -11.954 -1.926 1.00 0.00 C ATOM 714 CG ASP A 48 2.920 -12.926 -0.856 1.00 0.00 C ATOM 715 OD1 ASP A 48 3.079 -14.124 -1.172 1.00 0.00 O ATOM 716 OD2 ASP A 48 3.118 -12.490 0.297 1.00 0.00 O ATOM 0 H ASP A 48 4.074 -10.235 -2.654 1.00 0.00 H new ATOM 0 HA ASP A 48 3.916 -12.964 -3.146 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.555 -10.935 -1.549 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.410 -12.122 -2.140 1.00 0.00 H new ATOM 721 N ALA A 49 2.009 -11.181 -5.081 1.00 0.00 N ATOM 722 CA ALA A 49 1.118 -11.228 -6.234 1.00 0.00 C ATOM 723 C ALA A 49 1.817 -11.841 -7.443 1.00 0.00 C ATOM 724 O ALA A 49 1.192 -12.520 -8.256 1.00 0.00 O ATOM 725 CB ALA A 49 0.611 -9.833 -6.566 1.00 0.00 C ATOM 0 H ALA A 49 2.353 -10.249 -4.851 1.00 0.00 H new ATOM 0 HA ALA A 49 0.268 -11.861 -5.980 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.053 -9.883 -7.429 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.066 -9.431 -5.712 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.456 -9.184 -6.796 1.00 0.00 H new ATOM 731 N GLY A 50 3.119 -11.595 -7.556 1.00 0.00 N ATOM 732 CA GLY A 50 3.881 -12.129 -8.670 1.00 0.00 C ATOM 733 C GLY A 50 3.367 -11.644 -10.010 1.00 0.00 C ATOM 734 O GLY A 50 3.598 -10.498 -10.393 1.00 0.00 O ATOM 0 H GLY A 50 3.659 -11.036 -6.896 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.927 -11.843 -8.561 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.844 -13.218 -8.643 1.00 0.00 H new ATOM 738 N ASN A 51 2.668 -12.519 -10.726 1.00 0.00 N ATOM 739 CA ASN A 51 2.121 -12.174 -12.033 1.00 0.00 C ATOM 740 C ASN A 51 0.719 -11.587 -11.899 1.00 0.00 C ATOM 741 O ASN A 51 0.313 -10.733 -12.687 1.00 0.00 O ATOM 742 CB ASN A 51 2.084 -13.408 -12.936 1.00 0.00 C ATOM 743 CG ASN A 51 1.045 -14.419 -12.492 1.00 0.00 C ATOM 744 OD1 ASN A 51 1.040 -14.856 -11.341 1.00 0.00 O ATOM 745 ND2 ASN A 51 0.158 -14.796 -13.406 1.00 0.00 N ATOM 0 H ASN A 51 2.467 -13.472 -10.423 1.00 0.00 H new ATOM 0 HA ASN A 51 2.769 -11.422 -12.483 1.00 0.00 H new ATOM 0 HB2 ASN A 51 1.872 -13.099 -13.960 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.067 -13.880 -12.942 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -0.565 -15.474 -13.166 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.200 -14.407 -14.348 1.00 0.00 H new ATOM 752 N LYS A 52 -0.016 -12.050 -10.893 1.00 0.00 N ATOM 753 CA LYS A 52 -1.372 -11.570 -10.652 1.00 0.00 C ATOM 754 C LYS A 52 -1.369 -10.089 -10.288 1.00 0.00 C ATOM 755 O LYS A 52 -2.310 -9.361 -10.600 1.00 0.00 O ATOM 756 CB LYS A 52 -2.030 -12.381 -9.533 1.00 0.00 C ATOM 757 CG LYS A 52 -1.825 -13.880 -9.666 1.00 0.00 C ATOM 758 CD LYS A 52 -3.134 -14.637 -9.515 1.00 0.00 C ATOM 759 CE LYS A 52 -2.931 -15.962 -8.795 1.00 0.00 C ATOM 760 NZ LYS A 52 -4.042 -16.254 -7.848 1.00 0.00 N ATOM 0 H LYS A 52 0.305 -12.757 -10.232 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.945 -11.698 -11.570 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.630 -12.052 -8.574 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.099 -12.169 -9.522 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.385 -14.103 -10.638 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.118 -14.220 -8.910 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.847 -14.026 -8.961 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.566 -14.819 -10.499 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.857 -16.766 -9.527 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.987 -15.939 -8.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.867 -17.165 -7.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.096 -15.500 -7.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.940 -16.301 -8.370 1.00 0.00 H new ATOM 774 N GLY A 53 -0.303 -9.649 -9.626 1.00 0.00 N ATOM 775 CA GLY A 53 -0.197 -8.257 -9.231 1.00 0.00 C ATOM 776 C GLY A 53 -1.215 -7.874 -8.176 1.00 0.00 C ATOM 777 O GLY A 53 -2.201 -8.583 -7.970 1.00 0.00 O ATOM 0 H GLY A 53 0.489 -10.232 -9.356 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.806 -8.066 -8.849 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.331 -7.623 -10.107 1.00 0.00 H new ATOM 781 N ILE A 54 -0.977 -6.753 -7.504 1.00 0.00 N ATOM 782 CA ILE A 54 -1.881 -6.279 -6.464 1.00 0.00 C ATOM 783 C ILE A 54 -2.335 -4.850 -6.740 1.00 0.00 C ATOM 784 O ILE A 54 -1.528 -3.987 -7.088 1.00 0.00 O ATOM 785 CB ILE A 54 -1.219 -6.335 -5.074 1.00 0.00 C ATOM 786 CG1 ILE A 54 -2.247 -6.027 -3.984 1.00 0.00 C ATOM 787 CG2 ILE A 54 -0.053 -5.361 -5.003 1.00 0.00 C ATOM 788 CD1 ILE A 54 -2.361 -7.112 -2.936 1.00 0.00 C ATOM 0 H ILE A 54 -0.165 -6.156 -7.661 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.747 -6.941 -6.473 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.835 -7.342 -4.910 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.978 -5.090 -3.497 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.222 -5.877 -4.448 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.404 -5.412 -4.015 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.687 -5.623 -5.759 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.413 -4.348 -5.184 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.108 -6.826 -2.196 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.660 -8.046 -3.411 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.397 -7.247 -2.445 1.00 0.00 H new ATOM 800 N TRP A 55 -3.631 -4.606 -6.582 1.00 0.00 N ATOM 801 CA TRP A 55 -4.193 -3.280 -6.812 1.00 0.00 C ATOM 802 C TRP A 55 -3.836 -2.332 -5.673 1.00 0.00 C ATOM 803 O TRP A 55 -3.697 -2.752 -4.524 1.00 0.00 O ATOM 804 CB TRP A 55 -5.712 -3.366 -6.963 1.00 0.00 C ATOM 805 CG TRP A 55 -6.150 -4.348 -8.008 1.00 0.00 C ATOM 806 CD1 TRP A 55 -6.393 -5.680 -7.832 1.00 0.00 C ATOM 807 CD2 TRP A 55 -6.396 -4.073 -9.392 1.00 0.00 C ATOM 808 NE1 TRP A 55 -6.774 -6.251 -9.022 1.00 0.00 N ATOM 809 CE2 TRP A 55 -6.784 -5.286 -9.995 1.00 0.00 C ATOM 810 CE3 TRP A 55 -6.327 -2.922 -10.180 1.00 0.00 C ATOM 811 CZ2 TRP A 55 -7.101 -5.377 -11.347 1.00 0.00 C ATOM 812 CZ3 TRP A 55 -6.641 -3.013 -11.523 1.00 0.00 C ATOM 813 CH2 TRP A 55 -7.025 -4.233 -12.095 1.00 0.00 C ATOM 0 H TRP A 55 -4.312 -5.309 -6.296 1.00 0.00 H new ATOM 0 HA TRP A 55 -3.765 -2.887 -7.734 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -6.150 -3.646 -6.005 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -6.101 -2.380 -7.215 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -6.299 -6.208 -6.894 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -7.011 -7.234 -9.159 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -6.033 -1.977 -9.747 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -7.396 -6.317 -11.790 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -6.590 -2.129 -12.142 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -7.266 -4.272 -13.147 1.00 0.00 H new ATOM 824 N SER A 56 -3.690 -1.051 -5.997 1.00 0.00 N ATOM 825 CA SER A 56 -3.346 -0.044 -5.001 1.00 0.00 C ATOM 826 C SER A 56 -4.339 -0.064 -3.843 1.00 0.00 C ATOM 827 O SER A 56 -4.006 0.310 -2.718 1.00 0.00 O ATOM 828 CB SER A 56 -3.317 1.346 -5.638 1.00 0.00 C ATOM 829 OG SER A 56 -3.799 2.330 -4.739 1.00 0.00 O ATOM 0 H SER A 56 -3.805 -0.686 -6.943 1.00 0.00 H new ATOM 0 HA SER A 56 -2.355 -0.278 -4.612 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.298 1.591 -5.938 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.924 1.347 -6.543 1.00 0.00 H new ATOM 0 HG SER A 56 -3.769 3.210 -5.170 1.00 0.00 H new ATOM 835 N ARG A 57 -5.560 -0.504 -4.127 1.00 0.00 N ATOM 836 CA ARG A 57 -6.604 -0.572 -3.110 1.00 0.00 C ATOM 837 C ARG A 57 -6.396 -1.778 -2.199 1.00 0.00 C ATOM 838 O ARG A 57 -6.775 -1.756 -1.028 1.00 0.00 O ATOM 839 CB ARG A 57 -7.982 -0.649 -3.769 1.00 0.00 C ATOM 840 CG ARG A 57 -8.589 0.712 -4.072 1.00 0.00 C ATOM 841 CD ARG A 57 -10.108 0.656 -4.075 1.00 0.00 C ATOM 842 NE ARG A 57 -10.656 0.590 -2.722 1.00 0.00 N ATOM 843 CZ ARG A 57 -10.811 1.652 -1.940 1.00 0.00 C ATOM 844 NH1 ARG A 57 -10.463 2.856 -2.373 1.00 0.00 N ATOM 845 NH2 ARG A 57 -11.317 1.512 -0.721 1.00 0.00 N ATOM 0 H ARG A 57 -5.851 -0.819 -5.052 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.548 0.333 -2.505 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.901 -1.216 -4.696 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.657 -1.201 -3.116 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.252 1.435 -3.330 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.235 1.062 -5.042 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.502 1.536 -4.583 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.438 -0.214 -4.643 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.935 -0.321 -2.358 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.075 2.969 -3.310 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.584 3.669 -1.770 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.587 0.588 -0.384 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.436 2.328 -0.121 1.00 0.00 H new ATOM 859 N ASP A 58 -5.792 -2.828 -2.744 1.00 0.00 N ATOM 860 CA ASP A 58 -5.533 -4.043 -1.979 1.00 0.00 C ATOM 861 C ASP A 58 -4.273 -3.895 -1.134 1.00 0.00 C ATOM 862 O ASP A 58 -4.308 -4.058 0.086 1.00 0.00 O ATOM 863 CB ASP A 58 -5.394 -5.242 -2.919 1.00 0.00 C ATOM 864 CG ASP A 58 -6.731 -5.876 -3.249 1.00 0.00 C ATOM 865 OD1 ASP A 58 -7.668 -5.133 -3.607 1.00 0.00 O ATOM 866 OD2 ASP A 58 -6.840 -7.117 -3.150 1.00 0.00 O ATOM 0 H ASP A 58 -5.473 -2.863 -3.712 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.378 -4.210 -1.311 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.909 -4.923 -3.841 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.745 -5.987 -2.459 1.00 0.00 H new ATOM 871 N VAL A 59 -3.159 -3.586 -1.790 1.00 0.00 N ATOM 872 CA VAL A 59 -1.886 -3.415 -1.099 1.00 0.00 C ATOM 873 C VAL A 59 -1.999 -2.377 0.012 1.00 0.00 C ATOM 874 O VAL A 59 -1.246 -2.410 0.985 1.00 0.00 O ATOM 875 CB VAL A 59 -0.771 -2.991 -2.072 1.00 0.00 C ATOM 876 CG1 VAL A 59 -1.165 -1.725 -2.817 1.00 0.00 C ATOM 877 CG2 VAL A 59 0.540 -2.795 -1.327 1.00 0.00 C ATOM 0 H VAL A 59 -3.112 -3.449 -2.800 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.630 -4.381 -0.665 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.631 -3.786 -2.805 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.365 -1.441 -3.500 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.078 -1.906 -3.384 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.335 -0.920 -2.102 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.317 -2.496 -2.030 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.416 -2.020 -0.571 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.828 -3.729 -0.845 1.00 0.00 H new ATOM 887 N ARG A 60 -2.944 -1.455 -0.141 1.00 0.00 N ATOM 888 CA ARG A 60 -3.154 -0.405 0.848 1.00 0.00 C ATOM 889 C ARG A 60 -3.861 -0.956 2.083 1.00 0.00 C ATOM 890 O ARG A 60 -3.502 -0.629 3.214 1.00 0.00 O ATOM 891 CB ARG A 60 -3.974 0.737 0.245 1.00 0.00 C ATOM 892 CG ARG A 60 -4.211 1.890 1.206 1.00 0.00 C ATOM 893 CD ARG A 60 -5.590 2.502 1.013 1.00 0.00 C ATOM 894 NE ARG A 60 -6.656 1.527 1.224 1.00 0.00 N ATOM 895 CZ ARG A 60 -7.944 1.846 1.277 1.00 0.00 C ATOM 896 NH1 ARG A 60 -8.324 3.108 1.136 1.00 0.00 N ATOM 897 NH2 ARG A 60 -8.855 0.901 1.472 1.00 0.00 N ATOM 0 H ARG A 60 -3.576 -1.414 -0.940 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.178 -0.023 1.148 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.461 1.113 -0.641 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -4.937 0.347 -0.085 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.109 1.537 2.232 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.448 2.654 1.055 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.717 3.334 1.706 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -5.667 2.911 0.006 1.00 0.00 H new ATOM 0 HE ARG A 60 -6.397 0.547 1.337 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -7.626 3.837 0.986 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -9.314 3.350 1.177 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -8.566 -0.071 1.581 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -9.844 1.147 1.513 1.00 0.00 H new ATOM 911 N TYR A 61 -4.868 -1.793 1.858 1.00 0.00 N ATOM 912 CA TYR A 61 -5.627 -2.388 2.952 1.00 0.00 C ATOM 913 C TYR A 61 -4.736 -3.279 3.811 1.00 0.00 C ATOM 914 O TYR A 61 -4.708 -3.154 5.036 1.00 0.00 O ATOM 915 CB TYR A 61 -6.802 -3.198 2.403 1.00 0.00 C ATOM 916 CG TYR A 61 -8.050 -3.107 3.252 1.00 0.00 C ATOM 917 CD1 TYR A 61 -8.595 -1.874 3.590 1.00 0.00 C ATOM 918 CD2 TYR A 61 -8.685 -4.253 3.715 1.00 0.00 C ATOM 919 CE1 TYR A 61 -9.734 -1.786 4.366 1.00 0.00 C ATOM 920 CE2 TYR A 61 -9.825 -4.174 4.490 1.00 0.00 C ATOM 921 CZ TYR A 61 -10.346 -2.938 4.813 1.00 0.00 C ATOM 922 OH TYR A 61 -11.482 -2.854 5.585 1.00 0.00 O ATOM 0 H TYR A 61 -5.178 -2.075 0.928 1.00 0.00 H new ATOM 0 HA TYR A 61 -6.011 -1.581 3.576 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -7.032 -2.851 1.396 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.505 -4.243 2.320 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -8.120 -0.970 3.240 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -8.280 -5.222 3.464 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -10.143 -0.820 4.621 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -10.306 -5.075 4.841 1.00 0.00 H new ATOM 0 HH TYR A 61 -11.788 -3.756 5.816 1.00 0.00 H new ATOM 932 N LYS A 62 -4.009 -4.181 3.161 1.00 0.00 N ATOM 933 CA LYS A 62 -3.115 -5.094 3.863 1.00 0.00 C ATOM 934 C LYS A 62 -1.982 -4.331 4.543 1.00 0.00 C ATOM 935 O LYS A 62 -1.483 -4.745 5.589 1.00 0.00 O ATOM 936 CB LYS A 62 -2.538 -6.124 2.889 1.00 0.00 C ATOM 937 CG LYS A 62 -3.597 -6.933 2.161 1.00 0.00 C ATOM 938 CD LYS A 62 -3.053 -8.273 1.695 1.00 0.00 C ATOM 939 CE LYS A 62 -3.983 -9.415 2.076 1.00 0.00 C ATOM 940 NZ LYS A 62 -3.364 -10.745 1.817 1.00 0.00 N ATOM 0 H LYS A 62 -4.021 -4.299 2.148 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.692 -5.611 4.630 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.917 -5.610 2.155 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.886 -6.804 3.437 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.450 -7.095 2.821 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.961 -6.369 1.302 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.920 -8.256 0.613 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.070 -8.441 2.135 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.243 -9.335 3.132 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.912 -9.331 1.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.029 -11.497 2.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.139 -10.832 0.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.491 -10.836 2.375 1.00 0.00 H new ATOM 954 N SER A 63 -1.582 -3.215 3.941 1.00 0.00 N ATOM 955 CA SER A 63 -0.506 -2.396 4.488 1.00 0.00 C ATOM 956 C SER A 63 -1.015 -1.526 5.633 1.00 0.00 C ATOM 957 O SER A 63 -0.249 -1.121 6.507 1.00 0.00 O ATOM 958 CB SER A 63 0.099 -1.516 3.393 1.00 0.00 C ATOM 959 OG SER A 63 0.872 -2.285 2.489 1.00 0.00 O ATOM 0 H SER A 63 -1.986 -2.858 3.075 1.00 0.00 H new ATOM 0 HA SER A 63 0.265 -3.062 4.876 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.697 -1.005 2.852 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.723 -0.745 3.845 1.00 0.00 H new ATOM 0 HG SER A 63 0.422 -2.318 1.619 1.00 0.00 H new ATOM 965 N ASN A 64 -2.313 -1.243 5.622 1.00 0.00 N ATOM 966 CA ASN A 64 -2.926 -0.420 6.659 1.00 0.00 C ATOM 967 C ASN A 64 -2.351 0.993 6.642 1.00 0.00 C ATOM 968 O ASN A 64 -2.211 1.631 7.686 1.00 0.00 O ATOM 969 CB ASN A 64 -2.710 -1.054 8.035 1.00 0.00 C ATOM 970 CG ASN A 64 -3.595 -0.436 9.100 1.00 0.00 C ATOM 971 OD1 ASN A 64 -4.760 -0.126 8.852 1.00 0.00 O ATOM 972 ND2 ASN A 64 -3.044 -0.255 10.295 1.00 0.00 N ATOM 0 H ASN A 64 -2.961 -1.571 4.906 1.00 0.00 H new ATOM 0 HA ASN A 64 -3.995 -0.360 6.457 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.911 -2.124 7.975 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.665 -0.942 8.324 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -3.591 0.156 11.052 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -2.074 -0.527 10.456 1.00 0.00 H new ATOM 979 N LEU A 65 -2.022 1.477 5.449 1.00 0.00 N ATOM 980 CA LEU A 65 -1.464 2.816 5.295 1.00 0.00 C ATOM 981 C LEU A 65 -2.382 3.695 4.452 1.00 0.00 C ATOM 982 O LEU A 65 -3.013 3.240 3.498 1.00 0.00 O ATOM 983 CB LEU A 65 -0.078 2.741 4.651 1.00 0.00 C ATOM 984 CG LEU A 65 0.857 1.661 5.194 1.00 0.00 C ATOM 985 CD1 LEU A 65 2.118 1.572 4.349 1.00 0.00 C ATOM 986 CD2 LEU A 65 1.206 1.940 6.649 1.00 0.00 C ATOM 0 H LEU A 65 -2.132 0.963 4.575 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.374 3.262 6.286 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.205 2.579 3.581 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.409 3.709 4.771 1.00 0.00 H new ATOM 0 HG LEU A 65 0.342 0.702 5.142 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.771 0.798 4.751 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.851 1.324 3.322 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.637 2.530 4.368 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.872 1.161 7.019 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.702 2.908 6.725 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.294 1.951 7.246 1.00 0.00 H new ATOM 998 N PRO A 66 -2.458 4.986 4.809 1.00 0.00 N ATOM 999 CA PRO A 66 -3.294 5.957 4.097 1.00 0.00 C ATOM 1000 C PRO A 66 -2.758 6.272 2.705 1.00 0.00 C ATOM 1001 O PRO A 66 -1.572 6.085 2.427 1.00 0.00 O ATOM 1002 CB PRO A 66 -3.232 7.199 4.988 1.00 0.00 C ATOM 1003 CG PRO A 66 -1.946 7.071 5.728 1.00 0.00 C ATOM 1004 CD PRO A 66 -1.733 5.597 5.936 1.00 0.00 C ATOM 0 HA PRO A 66 -4.305 5.583 3.934 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.258 8.113 4.395 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -4.080 7.238 5.672 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.124 7.508 5.161 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -1.990 7.597 6.681 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.674 5.338 5.921 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.129 5.265 6.896 1.00 0.00 H new ATOM 1012 N LEU A 67 -3.637 6.752 1.832 1.00 0.00 N ATOM 1013 CA LEU A 67 -3.252 7.094 0.467 1.00 0.00 C ATOM 1014 C LEU A 67 -2.039 8.020 0.460 1.00 0.00 C ATOM 1015 O LEU A 67 -1.159 7.902 -0.394 1.00 0.00 O ATOM 1016 CB LEU A 67 -4.420 7.760 -0.262 1.00 0.00 C ATOM 1017 CG LEU A 67 -5.140 8.873 0.500 1.00 0.00 C ATOM 1018 CD1 LEU A 67 -5.061 10.183 -0.268 1.00 0.00 C ATOM 1019 CD2 LEU A 67 -6.591 8.491 0.757 1.00 0.00 C ATOM 0 H LEU A 67 -4.621 6.913 2.045 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.987 6.173 -0.051 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.049 8.171 -1.201 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.149 6.991 -0.517 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.644 9.008 1.461 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.579 10.963 0.290 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.016 10.464 -0.401 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.531 10.062 -1.244 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.088 9.295 1.300 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.098 8.328 -0.194 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.627 7.576 1.349 1.00 0.00 H new ATOM 1031 N THR A 68 -1.999 8.941 1.417 1.00 0.00 N ATOM 1032 CA THR A 68 -0.894 9.886 1.522 1.00 0.00 C ATOM 1033 C THR A 68 0.443 9.161 1.626 1.00 0.00 C ATOM 1034 O THR A 68 1.467 9.659 1.161 1.00 0.00 O ATOM 1035 CB THR A 68 -1.060 10.810 2.743 1.00 0.00 C ATOM 1036 OG1 THR A 68 0.019 11.751 2.796 1.00 0.00 O ATOM 1037 CG2 THR A 68 -1.098 10.003 4.032 1.00 0.00 C ATOM 0 H THR A 68 -2.719 9.053 2.131 1.00 0.00 H new ATOM 0 HA THR A 68 -0.907 10.489 0.614 1.00 0.00 H new ATOM 0 HB THR A 68 -2.004 11.345 2.640 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.095 12.336 3.574 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.216 10.677 4.880 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.937 9.308 4.002 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.168 9.444 4.139 1.00 0.00 H new ATOM 1045 N GLU A 69 0.424 7.981 2.238 1.00 0.00 N ATOM 1046 CA GLU A 69 1.637 7.187 2.402 1.00 0.00 C ATOM 1047 C GLU A 69 1.895 6.327 1.168 1.00 0.00 C ATOM 1048 O GLU A 69 2.936 6.447 0.522 1.00 0.00 O ATOM 1049 CB GLU A 69 1.527 6.299 3.643 1.00 0.00 C ATOM 1050 CG GLU A 69 1.793 7.036 4.945 1.00 0.00 C ATOM 1051 CD GLU A 69 3.271 7.249 5.204 1.00 0.00 C ATOM 1052 OE1 GLU A 69 3.941 7.863 4.348 1.00 0.00 O ATOM 1053 OE2 GLU A 69 3.759 6.800 6.263 1.00 0.00 O ATOM 0 H GLU A 69 -0.416 7.554 2.628 1.00 0.00 H new ATOM 0 HA GLU A 69 2.476 7.872 2.527 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.529 5.863 3.680 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.233 5.473 3.552 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.290 8.002 4.920 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.361 6.472 5.772 1.00 0.00 H new ATOM 1060 N ILE A 70 0.940 5.459 0.849 1.00 0.00 N ATOM 1061 CA ILE A 70 1.064 4.579 -0.306 1.00 0.00 C ATOM 1062 C ILE A 70 1.411 5.369 -1.564 1.00 0.00 C ATOM 1063 O ILE A 70 2.103 4.870 -2.450 1.00 0.00 O ATOM 1064 CB ILE A 70 -0.235 3.788 -0.553 1.00 0.00 C ATOM 1065 CG1 ILE A 70 -0.587 2.949 0.676 1.00 0.00 C ATOM 1066 CG2 ILE A 70 -0.090 2.903 -1.782 1.00 0.00 C ATOM 1067 CD1 ILE A 70 0.429 1.872 0.985 1.00 0.00 C ATOM 0 H ILE A 70 0.073 5.347 1.374 1.00 0.00 H new ATOM 0 HA ILE A 70 1.870 3.879 -0.085 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.046 4.494 -0.732 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.681 3.607 1.540 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.561 2.485 0.522 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.016 2.350 -1.944 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.120 3.523 -2.654 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.730 2.201 -1.630 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.114 1.317 1.869 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.506 1.191 0.138 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.400 2.331 1.172 1.00 0.00 H new ATOM 1079 N ASN A 71 0.927 6.605 -1.633 1.00 0.00 N ATOM 1080 CA ASN A 71 1.188 7.465 -2.782 1.00 0.00 C ATOM 1081 C ASN A 71 2.685 7.693 -2.962 1.00 0.00 C ATOM 1082 O ASN A 71 3.198 7.668 -4.081 1.00 0.00 O ATOM 1083 CB ASN A 71 0.473 8.807 -2.613 1.00 0.00 C ATOM 1084 CG ASN A 71 -0.964 8.762 -3.095 1.00 0.00 C ATOM 1085 OD1 ASN A 71 -1.347 7.873 -3.856 1.00 0.00 O ATOM 1086 ND2 ASN A 71 -1.767 9.723 -2.654 1.00 0.00 N ATOM 0 H ASN A 71 0.352 7.033 -0.907 1.00 0.00 H new ATOM 0 HA ASN A 71 0.805 6.966 -3.672 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.492 9.096 -1.562 1.00 0.00 H new ATOM 0 HB3 ASN A 71 1.014 9.576 -3.164 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.744 9.744 -2.945 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.407 10.440 -2.024 1.00 0.00 H new ATOM 1093 N LYS A 72 3.382 7.914 -1.853 1.00 0.00 N ATOM 1094 CA LYS A 72 4.822 8.144 -1.886 1.00 0.00 C ATOM 1095 C LYS A 72 5.582 6.826 -1.990 1.00 0.00 C ATOM 1096 O LYS A 72 6.607 6.741 -2.667 1.00 0.00 O ATOM 1097 CB LYS A 72 5.267 8.904 -0.634 1.00 0.00 C ATOM 1098 CG LYS A 72 6.774 9.049 -0.514 1.00 0.00 C ATOM 1099 CD LYS A 72 7.168 9.700 0.801 1.00 0.00 C ATOM 1100 CE LYS A 72 7.543 8.660 1.846 1.00 0.00 C ATOM 1101 NZ LYS A 72 9.010 8.406 1.875 1.00 0.00 N ATOM 0 H LYS A 72 2.973 7.939 -0.919 1.00 0.00 H new ATOM 0 HA LYS A 72 5.048 8.744 -2.768 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.814 9.896 -0.641 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.889 8.387 0.248 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.242 8.068 -0.590 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.150 9.647 -1.344 1.00 0.00 H new ATOM 0 HD2 LYS A 72 8.010 10.373 0.637 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.341 10.307 1.170 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.214 8.998 2.829 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.017 7.728 1.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.224 7.692 2.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 9.321 8.060 0.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 9.511 9.289 2.101 1.00 0.00 H new ATOM 1115 N ILE A 73 5.072 5.799 -1.318 1.00 0.00 N ATOM 1116 CA ILE A 73 5.702 4.485 -1.338 1.00 0.00 C ATOM 1117 C ILE A 73 5.672 3.883 -2.738 1.00 0.00 C ATOM 1118 O ILE A 73 6.716 3.569 -3.313 1.00 0.00 O ATOM 1119 CB ILE A 73 5.012 3.515 -0.360 1.00 0.00 C ATOM 1120 CG1 ILE A 73 5.049 4.079 1.062 1.00 0.00 C ATOM 1121 CG2 ILE A 73 5.679 2.149 -0.411 1.00 0.00 C ATOM 1122 CD1 ILE A 73 4.120 3.366 2.019 1.00 0.00 C ATOM 0 H ILE A 73 4.224 5.852 -0.753 1.00 0.00 H new ATOM 0 HA ILE A 73 6.737 4.626 -1.027 1.00 0.00 H new ATOM 0 HB ILE A 73 3.970 3.400 -0.659 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.068 4.016 1.443 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.785 5.136 1.032 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.181 1.475 0.285 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.606 1.746 -1.421 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.729 2.246 -0.134 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.199 3.819 3.007 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.094 3.451 1.661 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.397 2.314 2.079 1.00 0.00 H new ATOM 1134 N LEU A 74 4.471 3.725 -3.283 1.00 0.00 N ATOM 1135 CA LEU A 74 4.305 3.161 -4.619 1.00 0.00 C ATOM 1136 C LEU A 74 5.158 3.912 -5.636 1.00 0.00 C ATOM 1137 O LEU A 74 5.626 3.334 -6.617 1.00 0.00 O ATOM 1138 CB LEU A 74 2.834 3.210 -5.035 1.00 0.00 C ATOM 1139 CG LEU A 74 1.935 2.119 -4.451 1.00 0.00 C ATOM 1140 CD1 LEU A 74 0.497 2.311 -4.908 1.00 0.00 C ATOM 1141 CD2 LEU A 74 2.443 0.741 -4.847 1.00 0.00 C ATOM 0 H LEU A 74 3.598 3.979 -2.821 1.00 0.00 H new ATOM 0 HA LEU A 74 4.634 2.122 -4.592 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.428 4.180 -4.748 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.782 3.152 -6.122 1.00 0.00 H new ATOM 0 HG LEU A 74 1.962 2.196 -3.364 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.128 1.526 -4.483 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.136 3.283 -4.573 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.451 2.262 -5.996 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.791 -0.023 -4.423 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.446 0.653 -5.933 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.456 0.604 -4.469 1.00 0.00 H new ATOM 1153 N LYS A 75 5.358 5.203 -5.395 1.00 0.00 N ATOM 1154 CA LYS A 75 6.157 6.034 -6.288 1.00 0.00 C ATOM 1155 C LYS A 75 7.645 5.872 -5.994 1.00 0.00 C ATOM 1156 O LYS A 75 8.483 6.028 -6.882 1.00 0.00 O ATOM 1157 CB LYS A 75 5.756 7.504 -6.146 1.00 0.00 C ATOM 1158 CG LYS A 75 4.530 7.881 -6.961 1.00 0.00 C ATOM 1159 CD LYS A 75 4.818 7.841 -8.452 1.00 0.00 C ATOM 1160 CE LYS A 75 5.131 9.227 -8.996 1.00 0.00 C ATOM 1161 NZ LYS A 75 4.313 9.549 -10.197 1.00 0.00 N ATOM 0 H LYS A 75 4.977 5.697 -4.588 1.00 0.00 H new ATOM 0 HA LYS A 75 5.968 5.710 -7.311 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.564 7.720 -5.095 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.593 8.132 -6.452 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.713 7.197 -6.729 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.199 8.881 -6.680 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.659 7.175 -8.644 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.958 7.428 -8.979 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.947 9.971 -8.221 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.189 9.287 -9.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.556 10.501 -10.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.507 8.854 -10.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.304 9.517 -9.948 1.00 0.00 H new ATOM 1175 N ASN A 76 7.966 5.557 -4.744 1.00 0.00 N ATOM 1176 CA ASN A 76 9.354 5.373 -4.334 1.00 0.00 C ATOM 1177 C ASN A 76 9.971 4.164 -5.031 1.00 0.00 C ATOM 1178 O ASN A 76 10.947 4.292 -5.771 1.00 0.00 O ATOM 1179 CB ASN A 76 9.441 5.200 -2.816 1.00 0.00 C ATOM 1180 CG ASN A 76 10.495 6.094 -2.192 1.00 0.00 C ATOM 1181 OD1 ASN A 76 11.694 5.866 -2.354 1.00 0.00 O ATOM 1182 ND2 ASN A 76 10.051 7.119 -1.473 1.00 0.00 N ATOM 0 H ASN A 76 7.284 5.424 -3.997 1.00 0.00 H new ATOM 0 HA ASN A 76 9.913 6.262 -4.624 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.471 5.422 -2.372 1.00 0.00 H new ATOM 0 HB3 ASN A 76 9.667 4.159 -2.584 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.713 7.755 -1.029 1.00 0.00 H new ATOM 0 HD22 ASN A 76 9.048 7.270 -1.365 1.00 0.00 H new ATOM 1189 N LEU A 77 9.395 2.992 -4.789 1.00 0.00 N ATOM 1190 CA LEU A 77 9.887 1.759 -5.394 1.00 0.00 C ATOM 1191 C LEU A 77 10.017 1.908 -6.907 1.00 0.00 C ATOM 1192 O LEU A 77 10.944 1.374 -7.515 1.00 0.00 O ATOM 1193 CB LEU A 77 8.951 0.596 -5.063 1.00 0.00 C ATOM 1194 CG LEU A 77 9.159 -0.068 -3.701 1.00 0.00 C ATOM 1195 CD1 LEU A 77 7.928 -0.865 -3.302 1.00 0.00 C ATOM 1196 CD2 LEU A 77 10.391 -0.962 -3.727 1.00 0.00 C ATOM 0 H LEU A 77 8.587 2.869 -4.178 1.00 0.00 H new ATOM 0 HA LEU A 77 10.874 1.551 -4.982 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.924 0.957 -5.116 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.062 -0.164 -5.836 1.00 0.00 H new ATOM 0 HG LEU A 77 9.317 0.713 -2.957 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.095 -1.330 -2.330 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.067 -0.199 -3.243 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.738 -1.638 -4.046 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.524 -1.427 -2.750 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.262 -1.737 -4.483 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.270 -0.364 -3.967 1.00 0.00 H new ATOM 1208 N GLU A 78 9.082 2.639 -7.506 1.00 0.00 N ATOM 1209 CA GLU A 78 9.094 2.859 -8.948 1.00 0.00 C ATOM 1210 C GLU A 78 10.407 3.499 -9.390 1.00 0.00 C ATOM 1211 O GLU A 78 11.124 2.954 -10.229 1.00 0.00 O ATOM 1212 CB GLU A 78 7.917 3.746 -9.360 1.00 0.00 C ATOM 1213 CG GLU A 78 7.256 3.316 -10.658 1.00 0.00 C ATOM 1214 CD GLU A 78 7.814 4.044 -11.866 1.00 0.00 C ATOM 1215 OE1 GLU A 78 8.170 5.233 -11.730 1.00 0.00 O ATOM 1216 OE2 GLU A 78 7.893 3.424 -12.947 1.00 0.00 O ATOM 0 H GLU A 78 8.308 3.088 -7.016 1.00 0.00 H new ATOM 0 HA GLU A 78 8.999 1.890 -9.439 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.173 3.740 -8.564 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.266 4.774 -9.463 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.390 2.243 -10.791 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.183 3.498 -10.593 1.00 0.00 H new ATOM 1223 N SER A 79 10.715 4.659 -8.819 1.00 0.00 N ATOM 1224 CA SER A 79 11.939 5.376 -9.157 1.00 0.00 C ATOM 1225 C SER A 79 13.165 4.501 -8.917 1.00 0.00 C ATOM 1226 O SER A 79 14.148 4.573 -9.656 1.00 0.00 O ATOM 1227 CB SER A 79 12.046 6.661 -8.333 1.00 0.00 C ATOM 1228 OG SER A 79 12.313 7.778 -9.163 1.00 0.00 O ATOM 0 H SER A 79 10.134 5.122 -8.120 1.00 0.00 H new ATOM 0 HA SER A 79 11.900 5.633 -10.215 1.00 0.00 H new ATOM 0 HB2 SER A 79 11.118 6.824 -7.786 1.00 0.00 H new ATOM 0 HB3 SER A 79 12.839 6.557 -7.592 1.00 0.00 H new ATOM 0 HG SER A 79 12.375 8.587 -8.613 1.00 0.00 H new ATOM 1234 N LYS A 80 13.100 3.674 -7.880 1.00 0.00 N ATOM 1235 CA LYS A 80 14.203 2.782 -7.541 1.00 0.00 C ATOM 1236 C LYS A 80 14.370 1.697 -8.599 1.00 0.00 C ATOM 1237 O LYS A 80 15.376 0.988 -8.623 1.00 0.00 O ATOM 1238 CB LYS A 80 13.966 2.142 -6.171 1.00 0.00 C ATOM 1239 CG LYS A 80 13.532 3.132 -5.104 1.00 0.00 C ATOM 1240 CD LYS A 80 14.426 3.056 -3.877 1.00 0.00 C ATOM 1241 CE LYS A 80 13.621 3.181 -2.593 1.00 0.00 C ATOM 1242 NZ LYS A 80 14.084 2.220 -1.553 1.00 0.00 N ATOM 0 H LYS A 80 12.294 3.602 -7.259 1.00 0.00 H new ATOM 0 HA LYS A 80 15.118 3.373 -7.505 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.205 1.368 -6.268 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.882 1.649 -5.846 1.00 0.00 H new ATOM 0 HG2 LYS A 80 13.557 4.142 -5.512 1.00 0.00 H new ATOM 0 HG3 LYS A 80 12.500 2.930 -4.817 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.967 2.110 -3.878 1.00 0.00 H new ATOM 0 HD3 LYS A 80 15.172 3.850 -3.919 1.00 0.00 H new ATOM 0 HE2 LYS A 80 13.703 4.198 -2.210 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.567 3.005 -2.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 13.511 2.336 -0.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 13.982 1.248 -1.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 15.083 2.404 -1.330 1.00 0.00 H new ATOM 1256 N LYS A 81 13.378 1.573 -9.474 1.00 0.00 N ATOM 1257 CA LYS A 81 13.415 0.575 -10.538 1.00 0.00 C ATOM 1258 C LYS A 81 13.422 -0.836 -9.960 1.00 0.00 C ATOM 1259 O LYS A 81 14.038 -1.744 -10.519 1.00 0.00 O ATOM 1260 CB LYS A 81 14.650 0.784 -11.417 1.00 0.00 C ATOM 1261 CG LYS A 81 14.478 0.274 -12.837 1.00 0.00 C ATOM 1262 CD LYS A 81 15.112 1.215 -13.848 1.00 0.00 C ATOM 1263 CE LYS A 81 16.603 0.953 -13.994 1.00 0.00 C ATOM 1264 NZ LYS A 81 17.321 2.133 -14.550 1.00 0.00 N ATOM 0 H LYS A 81 12.538 2.151 -9.468 1.00 0.00 H new ATOM 0 HA LYS A 81 12.519 0.695 -11.146 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.888 1.847 -11.448 1.00 0.00 H new ATOM 0 HB3 LYS A 81 15.501 0.280 -10.959 1.00 0.00 H new ATOM 0 HG2 LYS A 81 14.928 -0.715 -12.927 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.417 0.162 -13.058 1.00 0.00 H new ATOM 0 HD2 LYS A 81 14.624 1.094 -14.815 1.00 0.00 H new ATOM 0 HD3 LYS A 81 14.952 2.247 -13.537 1.00 0.00 H new ATOM 0 HE2 LYS A 81 17.024 0.697 -13.022 1.00 0.00 H new ATOM 0 HE3 LYS A 81 16.759 0.093 -14.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 18.334 1.915 -14.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 16.937 2.362 -15.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 17.194 2.947 -13.916 1.00 0.00 H new ATOM 1278 N LEU A 82 12.732 -1.015 -8.838 1.00 0.00 N ATOM 1279 CA LEU A 82 12.657 -2.317 -8.185 1.00 0.00 C ATOM 1280 C LEU A 82 11.359 -3.033 -8.545 1.00 0.00 C ATOM 1281 O LEU A 82 11.289 -4.262 -8.520 1.00 0.00 O ATOM 1282 CB LEU A 82 12.760 -2.155 -6.668 1.00 0.00 C ATOM 1283 CG LEU A 82 14.132 -1.752 -6.127 1.00 0.00 C ATOM 1284 CD1 LEU A 82 14.049 -1.437 -4.642 1.00 0.00 C ATOM 1285 CD2 LEU A 82 15.151 -2.853 -6.385 1.00 0.00 C ATOM 0 H LEU A 82 12.217 -0.275 -8.362 1.00 0.00 H new ATOM 0 HA LEU A 82 13.493 -2.921 -8.537 1.00 0.00 H new ATOM 0 HB2 LEU A 82 12.033 -1.406 -6.353 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.470 -3.097 -6.202 1.00 0.00 H new ATOM 0 HG LEU A 82 14.458 -0.853 -6.650 1.00 0.00 H new ATOM 0 HD11 LEU A 82 15.035 -1.152 -4.275 1.00 0.00 H new ATOM 0 HD12 LEU A 82 13.351 -0.615 -4.483 1.00 0.00 H new ATOM 0 HD13 LEU A 82 13.701 -2.318 -4.102 1.00 0.00 H new ATOM 0 HD21 LEU A 82 16.122 -2.549 -5.993 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.830 -3.769 -5.889 1.00 0.00 H new ATOM 0 HD23 LEU A 82 15.232 -3.030 -7.457 1.00 0.00 H new ATOM 1297 N ILE A 83 10.335 -2.256 -8.881 1.00 0.00 N ATOM 1298 CA ILE A 83 9.040 -2.816 -9.250 1.00 0.00 C ATOM 1299 C ILE A 83 8.601 -2.327 -10.626 1.00 0.00 C ATOM 1300 O ILE A 83 9.274 -1.506 -11.249 1.00 0.00 O ATOM 1301 CB ILE A 83 7.956 -2.453 -8.218 1.00 0.00 C ATOM 1302 CG1 ILE A 83 7.824 -0.933 -8.097 1.00 0.00 C ATOM 1303 CG2 ILE A 83 8.282 -3.071 -6.867 1.00 0.00 C ATOM 1304 CD1 ILE A 83 6.756 -0.495 -7.120 1.00 0.00 C ATOM 0 H ILE A 83 10.377 -1.237 -8.905 1.00 0.00 H new ATOM 0 HA ILE A 83 9.160 -3.899 -9.274 1.00 0.00 H new ATOM 0 HB ILE A 83 7.002 -2.856 -8.559 1.00 0.00 H new ATOM 0 HG12 ILE A 83 8.782 -0.517 -7.786 1.00 0.00 H new ATOM 0 HG13 ILE A 83 7.599 -0.517 -9.079 1.00 0.00 H new ATOM 0 HG21 ILE A 83 7.507 -2.805 -6.149 1.00 0.00 H new ATOM 0 HG22 ILE A 83 8.330 -4.156 -6.965 1.00 0.00 H new ATOM 0 HG23 ILE A 83 9.244 -2.696 -6.518 1.00 0.00 H new ATOM 0 HD11 ILE A 83 6.719 0.594 -7.086 1.00 0.00 H new ATOM 0 HD12 ILE A 83 5.789 -0.881 -7.441 1.00 0.00 H new ATOM 0 HD13 ILE A 83 6.990 -0.881 -6.128 1.00 0.00 H new ATOM 1316 N LYS A 84 7.467 -2.837 -11.094 1.00 0.00 N ATOM 1317 CA LYS A 84 6.934 -2.451 -12.395 1.00 0.00 C ATOM 1318 C LYS A 84 5.426 -2.236 -12.324 1.00 0.00 C ATOM 1319 O LYS A 84 4.676 -3.146 -11.973 1.00 0.00 O ATOM 1320 CB LYS A 84 7.259 -3.521 -13.440 1.00 0.00 C ATOM 1321 CG LYS A 84 6.699 -4.892 -13.101 1.00 0.00 C ATOM 1322 CD LYS A 84 7.367 -5.985 -13.917 1.00 0.00 C ATOM 1323 CE LYS A 84 6.427 -6.545 -14.974 1.00 0.00 C ATOM 1324 NZ LYS A 84 6.945 -7.811 -15.562 1.00 0.00 N ATOM 0 H LYS A 84 6.899 -3.519 -10.591 1.00 0.00 H new ATOM 0 HA LYS A 84 7.403 -1.512 -12.687 1.00 0.00 H new ATOM 0 HB2 LYS A 84 6.865 -3.205 -14.406 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.341 -3.596 -13.547 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.841 -5.091 -12.039 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.625 -4.903 -13.287 1.00 0.00 H new ATOM 0 HD2 LYS A 84 8.261 -5.587 -14.398 1.00 0.00 H new ATOM 0 HD3 LYS A 84 7.692 -6.788 -13.255 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.448 -6.725 -14.531 1.00 0.00 H new ATOM 0 HE3 LYS A 84 6.289 -5.807 -15.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 6.276 -8.161 -16.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 7.868 -7.635 -16.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 7.053 -8.523 -14.812 1.00 0.00 H new ATOM 1338 N ALA A 85 4.989 -1.027 -12.660 1.00 0.00 N ATOM 1339 CA ALA A 85 3.570 -0.694 -12.637 1.00 0.00 C ATOM 1340 C ALA A 85 2.857 -1.241 -13.869 1.00 0.00 C ATOM 1341 O ALA A 85 3.406 -1.231 -14.971 1.00 0.00 O ATOM 1342 CB ALA A 85 3.382 0.813 -12.542 1.00 0.00 C ATOM 0 H ALA A 85 5.597 -0.262 -12.951 1.00 0.00 H new ATOM 0 HA ALA A 85 3.128 -1.160 -11.757 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.317 1.047 -12.526 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.848 1.181 -11.628 1.00 0.00 H new ATOM 0 HB3 ALA A 85 3.846 1.293 -13.404 1.00 0.00 H new ATOM 1348 N VAL A 86 1.632 -1.718 -13.676 1.00 0.00 N ATOM 1349 CA VAL A 86 0.844 -2.269 -14.772 1.00 0.00 C ATOM 1350 C VAL A 86 -0.557 -1.669 -14.797 1.00 0.00 C ATOM 1351 O VAL A 86 -1.341 -1.854 -13.866 1.00 0.00 O ATOM 1352 CB VAL A 86 0.733 -3.802 -14.669 1.00 0.00 C ATOM 1353 CG1 VAL A 86 2.039 -4.461 -15.084 1.00 0.00 C ATOM 1354 CG2 VAL A 86 0.344 -4.213 -13.257 1.00 0.00 C ATOM 0 H VAL A 86 1.163 -1.734 -12.770 1.00 0.00 H new ATOM 0 HA VAL A 86 1.363 -2.012 -15.695 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.048 -4.139 -15.350 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.941 -5.544 -15.005 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.271 -4.192 -16.115 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.842 -4.120 -14.431 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.270 -5.299 -13.202 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.102 -3.865 -12.555 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.619 -3.770 -13.001 1.00 0.00 H new ATOM 1364 N LYS A 87 -0.868 -0.950 -15.871 1.00 0.00 N ATOM 1365 CA LYS A 87 -2.176 -0.324 -16.020 1.00 0.00 C ATOM 1366 C LYS A 87 -3.116 -1.213 -16.829 1.00 0.00 C ATOM 1367 O LYS A 87 -2.708 -1.831 -17.812 1.00 0.00 O ATOM 1368 CB LYS A 87 -2.037 1.040 -16.700 1.00 0.00 C ATOM 1369 CG LYS A 87 -1.501 0.960 -18.119 1.00 0.00 C ATOM 1370 CD LYS A 87 -2.511 1.485 -19.126 1.00 0.00 C ATOM 1371 CE LYS A 87 -2.428 0.730 -20.444 1.00 0.00 C ATOM 1372 NZ LYS A 87 -1.509 1.397 -21.408 1.00 0.00 N ATOM 0 H LYS A 87 -0.231 -0.787 -16.651 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.600 -0.186 -15.025 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -3.011 1.530 -16.715 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.374 1.668 -16.105 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -0.578 1.536 -18.194 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.252 -0.074 -18.357 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.517 1.393 -18.716 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.334 2.546 -19.301 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -2.084 -0.288 -20.259 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -3.423 0.655 -20.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -1.480 0.852 -22.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -1.851 2.359 -21.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -0.554 1.446 -21.000 1.00 0.00 H new