USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 488 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 76 ASN : amide:sc= -0.101 K(o=0.59,f=-6.6!) USER MOD Set 1.2: A 80 LYS NZ :NH3+ -107:sc= 0.694 (180deg=0) 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=-0.00136 X(o=-0.0014,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.231 X(o=-0.23,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 120:sc= -1.15 USER MOD Single : A 64 ASN : amide:sc= 0.0158 X(o=0.016,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.898 K(o=-0.9,f=-2.6!) 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 79 SER OG : rot 180:sc= 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 -5.528 1.064 -10.034 1.00 0.00 N ATOM 230 CA LEU A 19 -4.423 0.622 -10.878 1.00 0.00 C ATOM 231 C LEU A 19 -3.779 -0.641 -10.315 1.00 0.00 C ATOM 232 O LEU A 19 -3.861 -0.910 -9.115 1.00 0.00 O ATOM 233 CB LEU A 19 -3.376 1.730 -11.002 1.00 0.00 C ATOM 234 CG LEU A 19 -3.431 2.565 -12.282 1.00 0.00 C ATOM 235 CD1 LEU A 19 -3.250 4.041 -11.964 1.00 0.00 C ATOM 236 CD2 LEU A 19 -2.372 2.097 -13.270 1.00 0.00 C ATOM 0 HA LEU A 19 -4.822 0.394 -11.867 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.483 2.401 -10.150 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.387 1.278 -10.929 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.411 2.430 -12.739 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.292 4.620 -12.887 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.044 4.369 -11.294 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.284 4.194 -11.483 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.426 2.702 -14.175 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.384 2.202 -12.821 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.547 1.051 -13.522 1.00 0.00 H new ATOM 248 N LEU A 20 -3.138 -1.411 -11.186 1.00 0.00 N ATOM 249 CA LEU A 20 -2.477 -2.645 -10.776 1.00 0.00 C ATOM 250 C LEU A 20 -0.975 -2.433 -10.620 1.00 0.00 C ATOM 251 O LEU A 20 -0.386 -1.581 -11.286 1.00 0.00 O ATOM 252 CB LEU A 20 -2.744 -3.753 -11.796 1.00 0.00 C ATOM 253 CG LEU A 20 -2.432 -5.178 -11.336 1.00 0.00 C ATOM 254 CD1 LEU A 20 -3.202 -5.510 -10.067 1.00 0.00 C ATOM 255 CD2 LEU A 20 -2.759 -6.177 -12.437 1.00 0.00 C ATOM 0 H LEU A 20 -3.062 -1.203 -12.182 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.885 -2.943 -9.810 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.794 -3.708 -12.085 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.157 -3.545 -12.691 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.366 -5.244 -11.117 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.967 -6.528 -9.755 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.919 -4.814 -9.277 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.272 -5.427 -10.258 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.531 -7.186 -12.093 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.818 -6.110 -12.687 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.163 -5.952 -13.321 1.00 0.00 H new ATOM 267 N TYR A 21 -0.360 -3.214 -9.739 1.00 0.00 N ATOM 268 CA TYR A 21 1.074 -3.111 -9.496 1.00 0.00 C ATOM 269 C TYR A 21 1.710 -4.494 -9.397 1.00 0.00 C ATOM 270 O TYR A 21 1.079 -5.449 -8.943 1.00 0.00 O ATOM 271 CB TYR A 21 1.339 -2.323 -8.212 1.00 0.00 C ATOM 272 CG TYR A 21 1.487 -0.834 -8.436 1.00 0.00 C ATOM 273 CD1 TYR A 21 2.728 -0.272 -8.708 1.00 0.00 C ATOM 274 CD2 TYR A 21 0.385 0.009 -8.375 1.00 0.00 C ATOM 275 CE1 TYR A 21 2.867 1.087 -8.911 1.00 0.00 C ATOM 276 CE2 TYR A 21 0.514 1.370 -8.579 1.00 0.00 C ATOM 277 CZ TYR A 21 1.758 1.904 -8.846 1.00 0.00 C ATOM 278 OH TYR A 21 1.892 3.258 -9.050 1.00 0.00 O ATOM 0 H TYR A 21 -0.832 -3.926 -9.181 1.00 0.00 H new ATOM 0 HA TYR A 21 1.523 -2.584 -10.338 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.521 -2.497 -7.513 1.00 0.00 H new ATOM 0 HB3 TYR A 21 2.246 -2.703 -7.743 1.00 0.00 H new ATOM 0 HD1 TYR A 21 3.599 -0.909 -8.762 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.590 -0.406 -8.165 1.00 0.00 H new ATOM 0 HE1 TYR A 21 3.840 1.508 -9.120 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -0.353 2.011 -8.530 1.00 0.00 H new ATOM 0 HH TYR A 21 1.015 3.689 -8.971 1.00 0.00 H new ATOM 288 N ARG A 22 2.964 -4.593 -9.825 1.00 0.00 N ATOM 289 CA ARG A 22 3.687 -5.859 -9.787 1.00 0.00 C ATOM 290 C ARG A 22 5.172 -5.629 -9.526 1.00 0.00 C ATOM 291 O ARG A 22 5.709 -4.564 -9.835 1.00 0.00 O ATOM 292 CB ARG A 22 3.500 -6.618 -11.102 1.00 0.00 C ATOM 293 CG ARG A 22 2.113 -7.217 -11.268 1.00 0.00 C ATOM 294 CD ARG A 22 1.855 -7.634 -12.707 1.00 0.00 C ATOM 295 NE ARG A 22 2.916 -8.492 -13.227 1.00 0.00 N ATOM 296 CZ ARG A 22 2.943 -8.954 -14.472 1.00 0.00 C ATOM 297 NH1 ARG A 22 1.973 -8.641 -15.321 1.00 0.00 N ATOM 298 NH2 ARG A 22 3.943 -9.729 -14.872 1.00 0.00 N ATOM 0 H ARG A 22 3.501 -3.812 -10.202 1.00 0.00 H new ATOM 0 HA ARG A 22 3.281 -6.456 -8.971 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.696 -5.941 -11.933 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.240 -7.416 -11.160 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.008 -8.082 -10.613 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.362 -6.490 -10.958 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.902 -8.160 -12.767 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.769 -6.745 -13.332 1.00 0.00 H new ATOM 0 HE ARG A 22 3.678 -8.751 -12.600 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.203 -8.044 -15.018 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.997 -8.997 -16.276 1.00 0.00 H new ATOM 0 HH21 ARG A 22 4.692 -9.971 -14.223 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.963 -10.083 -15.828 1.00 0.00 H new ATOM 312 N ILE A 23 5.831 -6.633 -8.957 1.00 0.00 N ATOM 313 CA ILE A 23 7.254 -6.540 -8.656 1.00 0.00 C ATOM 314 C ILE A 23 8.097 -6.826 -9.893 1.00 0.00 C ATOM 315 O ILE A 23 7.640 -7.476 -10.834 1.00 0.00 O ATOM 316 CB ILE A 23 7.657 -7.516 -7.536 1.00 0.00 C ATOM 317 CG1 ILE A 23 7.289 -8.950 -7.922 1.00 0.00 C ATOM 318 CG2 ILE A 23 6.988 -7.126 -6.226 1.00 0.00 C ATOM 319 CD1 ILE A 23 8.170 -9.996 -7.275 1.00 0.00 C ATOM 0 H ILE A 23 5.402 -7.520 -8.695 1.00 0.00 H new ATOM 0 HA ILE A 23 7.440 -5.520 -8.321 1.00 0.00 H new ATOM 0 HB ILE A 23 8.737 -7.462 -7.399 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.252 -9.138 -7.644 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.352 -9.053 -9.005 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.283 -7.826 -5.444 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.296 -6.118 -5.946 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.905 -7.154 -6.348 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.851 -10.988 -7.594 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.206 -9.834 -7.573 1.00 0.00 H new ATOM 0 HD13 ILE A 23 8.089 -9.920 -6.191 1.00 0.00 H new ATOM 331 N LYS A 24 9.333 -6.339 -9.886 1.00 0.00 N ATOM 332 CA LYS A 24 10.244 -6.544 -11.006 1.00 0.00 C ATOM 333 C LYS A 24 11.258 -7.638 -10.689 1.00 0.00 C ATOM 334 O LYS A 24 12.052 -7.511 -9.757 1.00 0.00 O ATOM 335 CB LYS A 24 10.972 -5.241 -11.344 1.00 0.00 C ATOM 336 CG LYS A 24 11.119 -4.995 -12.835 1.00 0.00 C ATOM 337 CD LYS A 24 11.944 -6.084 -13.502 1.00 0.00 C ATOM 338 CE LYS A 24 11.062 -7.072 -14.249 1.00 0.00 C ATOM 339 NZ LYS A 24 10.940 -6.726 -15.693 1.00 0.00 N ATOM 0 H LYS A 24 9.727 -5.799 -9.116 1.00 0.00 H new ATOM 0 HA LYS A 24 9.655 -6.857 -11.868 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.431 -4.406 -10.898 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.962 -5.259 -10.888 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.132 -4.951 -13.296 1.00 0.00 H new ATOM 0 HG3 LYS A 24 11.592 -4.027 -13.000 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.653 -5.632 -14.195 1.00 0.00 H new ATOM 0 HD3 LYS A 24 12.528 -6.613 -12.749 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.476 -8.075 -14.150 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.071 -7.090 -13.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 10.331 -7.423 -16.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.521 -5.779 -15.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.882 -6.734 -16.133 1.00 0.00 H new ATOM 583 N LEU A 41 7.364 -3.275 3.679 1.00 0.00 N ATOM 584 CA LEU A 41 6.054 -3.863 3.936 1.00 0.00 C ATOM 585 C LEU A 41 5.193 -3.847 2.677 1.00 0.00 C ATOM 586 O LEU A 41 4.363 -4.732 2.469 1.00 0.00 O ATOM 587 CB LEU A 41 5.347 -3.108 5.062 1.00 0.00 C ATOM 588 CG LEU A 41 3.949 -3.606 5.430 1.00 0.00 C ATOM 589 CD1 LEU A 41 4.034 -4.913 6.203 1.00 0.00 C ATOM 590 CD2 LEU A 41 3.203 -2.555 6.238 1.00 0.00 C ATOM 0 HA LEU A 41 6.201 -4.900 4.239 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.974 -3.155 5.953 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.274 -2.058 4.778 1.00 0.00 H new ATOM 0 HG LEU A 41 3.396 -3.787 4.509 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.029 -5.252 6.456 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.528 -5.667 5.590 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.606 -4.758 7.118 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.210 -2.927 6.491 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.754 -2.341 7.154 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.109 -1.642 5.649 1.00 0.00 H new ATOM 602 N VAL A 42 5.397 -2.835 1.840 1.00 0.00 N ATOM 603 CA VAL A 42 4.642 -2.705 0.600 1.00 0.00 C ATOM 604 C VAL A 42 5.194 -3.630 -0.479 1.00 0.00 C ATOM 605 O VAL A 42 4.437 -4.275 -1.205 1.00 0.00 O ATOM 606 CB VAL A 42 4.664 -1.255 0.079 1.00 0.00 C ATOM 607 CG1 VAL A 42 3.853 -1.136 -1.202 1.00 0.00 C ATOM 608 CG2 VAL A 42 4.143 -0.300 1.141 1.00 0.00 C ATOM 0 H VAL A 42 6.079 -2.093 1.998 1.00 0.00 H new ATOM 0 HA VAL A 42 3.613 -2.987 0.824 1.00 0.00 H new ATOM 0 HB VAL A 42 5.695 -0.983 -0.146 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.880 -0.105 -1.555 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.277 -1.791 -1.963 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.820 -1.426 -1.007 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.166 0.720 0.756 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.119 -0.568 1.400 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.771 -0.366 2.030 1.00 0.00 H new ATOM 618 N TYR A 43 6.517 -3.689 -0.580 1.00 0.00 N ATOM 619 CA TYR A 43 7.171 -4.534 -1.572 1.00 0.00 C ATOM 620 C TYR A 43 6.824 -6.003 -1.350 1.00 0.00 C ATOM 621 O TYR A 43 6.745 -6.783 -2.299 1.00 0.00 O ATOM 622 CB TYR A 43 8.687 -4.343 -1.515 1.00 0.00 C ATOM 623 CG TYR A 43 9.435 -5.120 -2.575 1.00 0.00 C ATOM 624 CD1 TYR A 43 9.815 -6.439 -2.358 1.00 0.00 C ATOM 625 CD2 TYR A 43 9.764 -4.536 -3.791 1.00 0.00 C ATOM 626 CE1 TYR A 43 10.499 -7.153 -3.323 1.00 0.00 C ATOM 627 CE2 TYR A 43 10.447 -5.242 -4.762 1.00 0.00 C ATOM 628 CZ TYR A 43 10.812 -6.551 -4.523 1.00 0.00 C ATOM 629 OH TYR A 43 11.494 -7.258 -5.488 1.00 0.00 O ATOM 0 H TYR A 43 7.158 -3.162 0.013 1.00 0.00 H new ATOM 0 HA TYR A 43 6.811 -4.239 -2.558 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.916 -3.283 -1.624 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.046 -4.647 -0.532 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.572 -6.914 -1.419 1.00 0.00 H new ATOM 0 HD2 TYR A 43 9.481 -3.511 -3.981 1.00 0.00 H new ATOM 0 HE1 TYR A 43 10.787 -8.177 -3.138 1.00 0.00 H new ATOM 0 HE2 TYR A 43 10.694 -4.772 -5.703 1.00 0.00 H new ATOM 0 HH TYR A 43 11.634 -6.688 -6.273 1.00 0.00 H new ATOM 639 N GLN A 44 6.617 -6.372 -0.090 1.00 0.00 N ATOM 640 CA GLN A 44 6.278 -7.747 0.257 1.00 0.00 C ATOM 641 C GLN A 44 4.894 -8.116 -0.268 1.00 0.00 C ATOM 642 O GLN A 44 4.698 -9.198 -0.822 1.00 0.00 O ATOM 643 CB GLN A 44 6.329 -7.940 1.773 1.00 0.00 C ATOM 644 CG GLN A 44 7.741 -7.962 2.336 1.00 0.00 C ATOM 645 CD GLN A 44 8.403 -9.319 2.200 1.00 0.00 C ATOM 646 OE1 GLN A 44 8.286 -10.171 3.082 1.00 0.00 O ATOM 647 NE2 GLN A 44 9.103 -9.528 1.091 1.00 0.00 N ATOM 0 H GLN A 44 6.678 -5.738 0.707 1.00 0.00 H new ATOM 0 HA GLN A 44 7.011 -8.404 -0.211 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.768 -7.138 2.252 1.00 0.00 H new ATOM 0 HB3 GLN A 44 5.830 -8.875 2.029 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.345 -7.214 1.822 1.00 0.00 H new ATOM 0 HG3 GLN A 44 7.713 -7.680 3.388 1.00 0.00 H new ATOM 0 HE21 GLN A 44 9.173 -8.794 0.386 1.00 0.00 H new ATOM 0 HE22 GLN A 44 9.570 -10.423 0.944 1.00 0.00 H new ATOM 656 N ILE A 45 3.938 -7.210 -0.089 1.00 0.00 N ATOM 657 CA ILE A 45 2.573 -7.440 -0.546 1.00 0.00 C ATOM 658 C ILE A 45 2.515 -7.568 -2.064 1.00 0.00 C ATOM 659 O ILE A 45 1.836 -8.445 -2.598 1.00 0.00 O ATOM 660 CB ILE A 45 1.632 -6.305 -0.101 1.00 0.00 C ATOM 661 CG1 ILE A 45 1.661 -6.157 1.422 1.00 0.00 C ATOM 662 CG2 ILE A 45 0.215 -6.572 -0.586 1.00 0.00 C ATOM 663 CD1 ILE A 45 1.010 -4.884 1.917 1.00 0.00 C ATOM 0 H ILE A 45 4.084 -6.310 0.369 1.00 0.00 H new ATOM 0 HA ILE A 45 2.242 -8.374 -0.093 1.00 0.00 H new ATOM 0 HB ILE A 45 1.977 -5.371 -0.544 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.157 -7.012 1.872 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.696 -6.182 1.762 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.439 -5.761 -0.264 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.208 -6.633 -1.674 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.141 -7.513 -0.168 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.067 -4.845 3.005 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.528 -4.023 1.496 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.035 -4.866 1.607 1.00 0.00 H new ATOM 675 N ILE A 46 3.234 -6.688 -2.754 1.00 0.00 N ATOM 676 CA ILE A 46 3.266 -6.705 -4.211 1.00 0.00 C ATOM 677 C ILE A 46 3.959 -7.960 -4.732 1.00 0.00 C ATOM 678 O ILE A 46 3.565 -8.518 -5.755 1.00 0.00 O ATOM 679 CB ILE A 46 3.987 -5.465 -4.772 1.00 0.00 C ATOM 680 CG1 ILE A 46 3.319 -4.186 -4.263 1.00 0.00 C ATOM 681 CG2 ILE A 46 3.991 -5.497 -6.293 1.00 0.00 C ATOM 682 CD1 ILE A 46 4.095 -2.929 -4.588 1.00 0.00 C ATOM 0 H ILE A 46 3.801 -5.955 -2.328 1.00 0.00 H new ATOM 0 HA ILE A 46 2.230 -6.698 -4.549 1.00 0.00 H new ATOM 0 HB ILE A 46 5.020 -5.476 -4.425 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.322 -4.110 -4.696 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.193 -4.257 -3.183 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.504 -4.614 -6.674 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.507 -6.393 -6.637 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.964 -5.507 -6.659 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.563 -2.062 -4.197 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.084 -2.984 -4.132 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.198 -2.835 -5.669 1.00 0.00 H new ATOM 694 N GLU A 47 4.991 -8.399 -4.018 1.00 0.00 N ATOM 695 CA GLU A 47 5.737 -9.590 -4.408 1.00 0.00 C ATOM 696 C GLU A 47 4.896 -10.848 -4.209 1.00 0.00 C ATOM 697 O GLU A 47 5.045 -11.829 -4.938 1.00 0.00 O ATOM 698 CB GLU A 47 7.031 -9.695 -3.599 1.00 0.00 C ATOM 699 CG GLU A 47 7.847 -10.938 -3.914 1.00 0.00 C ATOM 700 CD GLU A 47 9.341 -10.683 -3.868 1.00 0.00 C ATOM 701 OE1 GLU A 47 9.841 -10.288 -2.794 1.00 0.00 O ATOM 702 OE2 GLU A 47 10.009 -10.877 -4.905 1.00 0.00 O ATOM 0 H GLU A 47 5.329 -7.948 -3.168 1.00 0.00 H new ATOM 0 HA GLU A 47 5.984 -9.503 -5.466 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.641 -8.812 -3.789 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.787 -9.691 -2.537 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.594 -11.724 -3.202 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.575 -11.305 -4.904 1.00 0.00 H new ATOM 709 N ASP A 48 4.014 -10.812 -3.216 1.00 0.00 N ATOM 710 CA ASP A 48 3.149 -11.948 -2.921 1.00 0.00 C ATOM 711 C ASP A 48 2.162 -12.190 -4.058 1.00 0.00 C ATOM 712 O ASP A 48 1.786 -13.329 -4.335 1.00 0.00 O ATOM 713 CB ASP A 48 2.391 -11.713 -1.613 1.00 0.00 C ATOM 714 CG ASP A 48 2.634 -12.812 -0.597 1.00 0.00 C ATOM 715 OD1 ASP A 48 3.798 -13.241 -0.454 1.00 0.00 O ATOM 716 OD2 ASP A 48 1.661 -13.242 0.056 1.00 0.00 O ATOM 0 H ASP A 48 3.879 -10.009 -2.602 1.00 0.00 H new ATOM 0 HA ASP A 48 3.777 -12.833 -2.815 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.694 -10.756 -1.188 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.323 -11.645 -1.822 1.00 0.00 H new ATOM 721 N ALA A 49 1.746 -11.112 -4.714 1.00 0.00 N ATOM 722 CA ALA A 49 0.804 -11.207 -5.822 1.00 0.00 C ATOM 723 C ALA A 49 1.380 -12.041 -6.962 1.00 0.00 C ATOM 724 O ALA A 49 0.654 -12.766 -7.641 1.00 0.00 O ATOM 725 CB ALA A 49 0.430 -9.818 -6.318 1.00 0.00 C ATOM 0 H ALA A 49 2.047 -10.162 -4.497 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.095 -11.705 -5.460 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.274 -9.905 -7.146 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.031 -9.254 -5.507 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.327 -9.299 -6.657 1.00 0.00 H new ATOM 731 N GLY A 50 2.689 -11.932 -7.166 1.00 0.00 N ATOM 732 CA GLY A 50 3.339 -12.681 -8.225 1.00 0.00 C ATOM 733 C GLY A 50 3.140 -12.048 -9.589 1.00 0.00 C ATOM 734 O GLY A 50 3.695 -10.988 -9.875 1.00 0.00 O ATOM 0 H GLY A 50 3.311 -11.338 -6.617 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.406 -12.753 -8.013 1.00 0.00 H new ATOM 0 HA3 GLY A 50 2.948 -13.698 -8.239 1.00 0.00 H new ATOM 738 N ASN A 51 2.348 -12.702 -10.432 1.00 0.00 N ATOM 739 CA ASN A 51 2.079 -12.198 -11.774 1.00 0.00 C ATOM 740 C ASN A 51 0.741 -11.466 -11.823 1.00 0.00 C ATOM 741 O ASN A 51 0.589 -10.473 -12.535 1.00 0.00 O ATOM 742 CB ASN A 51 2.081 -13.348 -12.783 1.00 0.00 C ATOM 743 CG ASN A 51 3.457 -13.599 -13.371 1.00 0.00 C ATOM 744 OD1 ASN A 51 3.617 -13.689 -14.588 1.00 0.00 O ATOM 745 ND2 ASN A 51 4.457 -13.715 -12.505 1.00 0.00 N ATOM 0 H ASN A 51 1.881 -13.581 -10.210 1.00 0.00 H new ATOM 0 HA ASN A 51 2.868 -11.493 -12.035 1.00 0.00 H new ATOM 0 HB2 ASN A 51 1.726 -14.256 -12.296 1.00 0.00 H new ATOM 0 HB3 ASN A 51 1.381 -13.123 -13.587 1.00 0.00 H new ATOM 0 HD21 ASN A 51 5.405 -13.886 -12.841 1.00 0.00 H new ATOM 0 HD22 ASN A 51 4.277 -13.633 -11.504 1.00 0.00 H new ATOM 752 N LYS A 52 -0.226 -11.963 -11.060 1.00 0.00 N ATOM 753 CA LYS A 52 -1.552 -11.357 -11.013 1.00 0.00 C ATOM 754 C LYS A 52 -1.465 -9.890 -10.603 1.00 0.00 C ATOM 755 O LYS A 52 -2.301 -9.076 -10.991 1.00 0.00 O ATOM 756 CB LYS A 52 -2.449 -12.119 -10.036 1.00 0.00 C ATOM 757 CG LYS A 52 -2.115 -11.862 -8.576 1.00 0.00 C ATOM 758 CD LYS A 52 -2.293 -13.114 -7.735 1.00 0.00 C ATOM 759 CE LYS A 52 -3.755 -13.524 -7.646 1.00 0.00 C ATOM 760 NZ LYS A 52 -4.170 -13.797 -6.242 1.00 0.00 N ATOM 0 H LYS A 52 -0.117 -12.784 -10.465 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.985 -11.412 -12.012 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.487 -11.841 -10.217 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.365 -13.187 -10.237 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.087 -11.510 -8.494 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.755 -11.069 -8.190 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.711 -13.929 -8.166 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.902 -12.939 -6.733 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.380 -12.734 -8.062 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.920 -14.414 -8.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.172 -14.073 -6.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.591 -14.568 -5.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.037 -12.940 -5.668 1.00 0.00 H new ATOM 774 N GLY A 53 -0.446 -9.560 -9.815 1.00 0.00 N ATOM 775 CA GLY A 53 -0.268 -8.191 -9.366 1.00 0.00 C ATOM 776 C GLY A 53 -1.259 -7.801 -8.288 1.00 0.00 C ATOM 777 O GLY A 53 -2.237 -8.511 -8.049 1.00 0.00 O ATOM 0 H GLY A 53 0.259 -10.216 -9.480 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.746 -8.066 -8.986 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.376 -7.516 -10.215 1.00 0.00 H new ATOM 781 N ILE A 54 -1.007 -6.673 -7.634 1.00 0.00 N ATOM 782 CA ILE A 54 -1.884 -6.191 -6.575 1.00 0.00 C ATOM 783 C ILE A 54 -2.349 -4.765 -6.851 1.00 0.00 C ATOM 784 O ILE A 54 -1.549 -3.898 -7.204 1.00 0.00 O ATOM 785 CB ILE A 54 -1.186 -6.234 -5.202 1.00 0.00 C ATOM 786 CG1 ILE A 54 -2.176 -5.880 -4.091 1.00 0.00 C ATOM 787 CG2 ILE A 54 0.003 -5.285 -5.182 1.00 0.00 C ATOM 788 CD1 ILE A 54 -2.084 -6.790 -2.886 1.00 0.00 C ATOM 0 H ILE A 54 -0.202 -6.075 -7.819 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.748 -6.855 -6.556 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.821 -7.246 -5.028 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.001 -4.852 -3.774 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.189 -5.922 -4.491 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.485 -5.327 -4.205 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.716 -5.579 -5.952 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.340 -4.268 -5.374 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.815 -6.480 -2.139 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.289 -7.817 -3.189 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.082 -6.730 -2.460 1.00 0.00 H new ATOM 800 N TRP A 55 -3.645 -4.529 -6.688 1.00 0.00 N ATOM 801 CA TRP A 55 -4.216 -3.207 -6.918 1.00 0.00 C ATOM 802 C TRP A 55 -3.825 -2.243 -5.804 1.00 0.00 C ATOM 803 O TRP A 55 -3.662 -2.645 -4.651 1.00 0.00 O ATOM 804 CB TRP A 55 -5.740 -3.298 -7.019 1.00 0.00 C ATOM 805 CG TRP A 55 -6.209 -4.194 -8.125 1.00 0.00 C ATOM 806 CD1 TRP A 55 -6.518 -5.521 -8.029 1.00 0.00 C ATOM 807 CD2 TRP A 55 -6.422 -3.828 -9.493 1.00 0.00 C ATOM 808 NE1 TRP A 55 -6.909 -6.002 -9.256 1.00 0.00 N ATOM 809 CE2 TRP A 55 -6.860 -4.983 -10.170 1.00 0.00 C ATOM 810 CE3 TRP A 55 -6.288 -2.637 -10.211 1.00 0.00 C ATOM 811 CZ2 TRP A 55 -7.162 -4.979 -11.529 1.00 0.00 C ATOM 812 CZ3 TRP A 55 -6.587 -2.635 -11.560 1.00 0.00 C ATOM 813 CH2 TRP A 55 -7.021 -3.800 -12.207 1.00 0.00 C ATOM 0 H TRP A 55 -4.321 -5.236 -6.397 1.00 0.00 H new ATOM 0 HA TRP A 55 -3.818 -2.826 -7.858 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -6.139 -3.662 -6.072 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -6.147 -2.299 -7.173 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -6.463 -6.106 -7.123 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -7.190 -6.962 -9.454 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -5.957 -1.734 -9.720 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -7.496 -5.876 -12.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -6.485 -1.720 -12.125 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -7.249 -3.766 -13.262 1.00 0.00 H new ATOM 824 N SER A 56 -3.675 -0.969 -6.154 1.00 0.00 N ATOM 825 CA SER A 56 -3.299 0.051 -5.183 1.00 0.00 C ATOM 826 C SER A 56 -4.222 0.012 -3.968 1.00 0.00 C ATOM 827 O SER A 56 -3.815 0.344 -2.855 1.00 0.00 O ATOM 828 CB SER A 56 -3.343 1.438 -5.826 1.00 0.00 C ATOM 829 OG SER A 56 -3.573 2.444 -4.855 1.00 0.00 O ATOM 0 H SER A 56 -3.808 -0.619 -7.103 1.00 0.00 H new ATOM 0 HA SER A 56 -2.282 -0.156 -4.851 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.402 1.633 -6.341 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.131 1.468 -6.579 1.00 0.00 H new ATOM 0 HG SER A 56 -3.595 3.321 -5.292 1.00 0.00 H new ATOM 835 N ARG A 57 -5.467 -0.396 -4.192 1.00 0.00 N ATOM 836 CA ARG A 57 -6.449 -0.477 -3.118 1.00 0.00 C ATOM 837 C ARG A 57 -6.204 -1.708 -2.249 1.00 0.00 C ATOM 838 O ARG A 57 -6.408 -1.674 -1.036 1.00 0.00 O ATOM 839 CB ARG A 57 -7.865 -0.521 -3.695 1.00 0.00 C ATOM 840 CG ARG A 57 -8.882 0.256 -2.875 1.00 0.00 C ATOM 841 CD ARG A 57 -10.150 0.525 -3.669 1.00 0.00 C ATOM 842 NE ARG A 57 -11.322 -0.092 -3.055 1.00 0.00 N ATOM 843 CZ ARG A 57 -12.572 0.199 -3.399 1.00 0.00 C ATOM 844 NH1 ARG A 57 -12.810 1.093 -4.348 1.00 0.00 N ATOM 845 NH2 ARG A 57 -13.586 -0.406 -2.794 1.00 0.00 N ATOM 0 H ARG A 57 -5.819 -0.675 -5.108 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.345 0.412 -2.496 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.847 -0.122 -4.709 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.187 -1.560 -3.767 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -9.128 -0.305 -1.973 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.445 1.202 -2.553 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.307 1.601 -3.748 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.030 0.145 -4.683 1.00 0.00 H new ATOM 0 HE ARG A 57 -11.173 -0.785 -2.321 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -12.033 1.559 -4.816 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -13.770 1.315 -4.610 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -13.406 -1.095 -2.064 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -14.545 -0.182 -3.059 1.00 0.00 H new ATOM 859 N ASP A 58 -5.765 -2.792 -2.879 1.00 0.00 N ATOM 860 CA ASP A 58 -5.491 -4.033 -2.164 1.00 0.00 C ATOM 861 C ASP A 58 -4.248 -3.894 -1.291 1.00 0.00 C ATOM 862 O ASP A 58 -4.313 -4.045 -0.071 1.00 0.00 O ATOM 863 CB ASP A 58 -5.310 -5.186 -3.152 1.00 0.00 C ATOM 864 CG ASP A 58 -6.590 -5.969 -3.369 1.00 0.00 C ATOM 865 OD1 ASP A 58 -7.677 -5.356 -3.319 1.00 0.00 O ATOM 866 OD2 ASP A 58 -6.505 -7.195 -3.590 1.00 0.00 O ATOM 0 H ASP A 58 -5.591 -2.836 -3.883 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.343 -4.248 -1.519 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.963 -4.791 -4.107 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.535 -5.858 -2.784 1.00 0.00 H new ATOM 871 N VAL A 59 -3.115 -3.607 -1.925 1.00 0.00 N ATOM 872 CA VAL A 59 -1.857 -3.448 -1.206 1.00 0.00 C ATOM 873 C VAL A 59 -2.001 -2.456 -0.059 1.00 0.00 C ATOM 874 O VAL A 59 -1.347 -2.588 0.976 1.00 0.00 O ATOM 875 CB VAL A 59 -0.731 -2.972 -2.144 1.00 0.00 C ATOM 876 CG1 VAL A 59 -1.125 -1.677 -2.837 1.00 0.00 C ATOM 877 CG2 VAL A 59 0.568 -2.801 -1.372 1.00 0.00 C ATOM 0 H VAL A 59 -3.043 -3.480 -2.935 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.596 -4.427 -0.804 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.574 -3.731 -2.910 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.318 -1.356 -3.495 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.029 -1.839 -3.424 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.311 -0.906 -2.089 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.352 -2.464 -2.050 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.428 -2.062 -0.583 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.856 -3.754 -0.929 1.00 0.00 H new ATOM 887 N ARG A 60 -2.861 -1.461 -0.248 1.00 0.00 N ATOM 888 CA ARG A 60 -3.091 -0.444 0.771 1.00 0.00 C ATOM 889 C ARG A 60 -3.813 -1.038 1.977 1.00 0.00 C ATOM 890 O ARG A 60 -3.487 -0.726 3.123 1.00 0.00 O ATOM 891 CB ARG A 60 -3.907 0.713 0.193 1.00 0.00 C ATOM 892 CG ARG A 60 -4.125 1.854 1.173 1.00 0.00 C ATOM 893 CD ARG A 60 -5.271 2.753 0.736 1.00 0.00 C ATOM 894 NE ARG A 60 -5.133 3.179 -0.654 1.00 0.00 N ATOM 895 CZ ARG A 60 -6.110 3.753 -1.347 1.00 0.00 C ATOM 896 NH1 ARG A 60 -7.290 3.969 -0.783 1.00 0.00 N ATOM 897 NH2 ARG A 60 -5.907 4.113 -2.608 1.00 0.00 N ATOM 0 H ARG A 60 -3.411 -1.337 -1.098 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.122 -0.067 1.098 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.400 1.097 -0.692 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -4.876 0.336 -0.133 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.336 1.449 2.163 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.211 2.442 1.257 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -6.215 2.223 0.861 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -5.310 3.630 1.382 1.00 0.00 H new ATOM 0 HE ARG A 60 -4.237 3.027 -1.118 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -7.450 3.694 0.186 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -8.038 4.410 -1.318 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -5.000 3.949 -3.046 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -6.658 4.554 -3.140 1.00 0.00 H new ATOM 911 N TYR A 61 -4.793 -1.893 1.712 1.00 0.00 N ATOM 912 CA TYR A 61 -5.563 -2.528 2.775 1.00 0.00 C ATOM 913 C TYR A 61 -4.691 -3.483 3.583 1.00 0.00 C ATOM 914 O TYR A 61 -4.703 -3.463 4.814 1.00 0.00 O ATOM 915 CB TYR A 61 -6.757 -3.282 2.188 1.00 0.00 C ATOM 916 CG TYR A 61 -7.933 -3.383 3.132 1.00 0.00 C ATOM 917 CD1 TYR A 61 -8.479 -2.247 3.717 1.00 0.00 C ATOM 918 CD2 TYR A 61 -8.499 -4.614 3.440 1.00 0.00 C ATOM 919 CE1 TYR A 61 -9.553 -2.334 4.581 1.00 0.00 C ATOM 920 CE2 TYR A 61 -9.574 -4.711 4.302 1.00 0.00 C ATOM 921 CZ TYR A 61 -10.098 -3.568 4.870 1.00 0.00 C ATOM 922 OH TYR A 61 -11.168 -3.660 5.730 1.00 0.00 O ATOM 0 H TYR A 61 -5.074 -2.163 0.769 1.00 0.00 H new ATOM 0 HA TYR A 61 -5.928 -1.746 3.441 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -7.078 -2.782 1.274 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.440 -4.286 1.908 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -8.056 -1.279 3.492 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -8.091 -5.511 2.998 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -9.964 -1.441 5.028 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -10.002 -5.676 4.530 1.00 0.00 H new ATOM 0 HH TYR A 61 -11.431 -4.599 5.825 1.00 0.00 H new ATOM 932 N LYS A 62 -3.934 -4.320 2.882 1.00 0.00 N ATOM 933 CA LYS A 62 -3.053 -5.283 3.531 1.00 0.00 C ATOM 934 C LYS A 62 -1.910 -4.575 4.253 1.00 0.00 C ATOM 935 O LYS A 62 -1.411 -5.058 5.269 1.00 0.00 O ATOM 936 CB LYS A 62 -2.488 -6.264 2.502 1.00 0.00 C ATOM 937 CG LYS A 62 -3.556 -7.067 1.778 1.00 0.00 C ATOM 938 CD LYS A 62 -2.971 -8.303 1.115 1.00 0.00 C ATOM 939 CE LYS A 62 -2.529 -9.331 2.145 1.00 0.00 C ATOM 940 NZ LYS A 62 -3.391 -10.545 2.123 1.00 0.00 N ATOM 0 H LYS A 62 -3.913 -4.351 1.863 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.639 -5.834 4.266 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.901 -5.711 1.769 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.806 -6.951 3.003 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.331 -7.364 2.485 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -4.035 -6.441 1.025 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.713 -8.747 0.451 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.120 -8.017 0.496 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.495 -9.617 1.952 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.556 -8.884 3.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.057 -11.221 2.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.374 -10.277 2.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.345 -10.986 1.182 1.00 0.00 H new ATOM 954 N SER A 63 -1.502 -3.426 3.722 1.00 0.00 N ATOM 955 CA SER A 63 -0.418 -2.653 4.315 1.00 0.00 C ATOM 956 C SER A 63 -0.923 -1.819 5.488 1.00 0.00 C ATOM 957 O SER A 63 -0.153 -1.433 6.366 1.00 0.00 O ATOM 958 CB SER A 63 0.220 -1.742 3.264 1.00 0.00 C ATOM 959 OG SER A 63 1.414 -1.156 3.755 1.00 0.00 O ATOM 0 H SER A 63 -1.906 -3.011 2.883 1.00 0.00 H new ATOM 0 HA SER A 63 0.333 -3.351 4.685 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.437 -2.316 2.363 1.00 0.00 H new ATOM 0 HB3 SER A 63 -0.484 -0.959 2.981 1.00 0.00 H new ATOM 0 HG SER A 63 2.166 -1.421 3.186 1.00 0.00 H new ATOM 965 N ASN A 64 -2.223 -1.546 5.495 1.00 0.00 N ATOM 966 CA ASN A 64 -2.833 -0.757 6.560 1.00 0.00 C ATOM 967 C ASN A 64 -2.271 0.661 6.577 1.00 0.00 C ATOM 968 O ASN A 64 -2.215 1.306 7.625 1.00 0.00 O ATOM 969 CB ASN A 64 -2.600 -1.426 7.916 1.00 0.00 C ATOM 970 CG ASN A 64 -3.796 -1.295 8.839 1.00 0.00 C ATOM 971 OD1 ASN A 64 -4.699 -2.132 8.827 1.00 0.00 O ATOM 972 ND2 ASN A 64 -3.807 -0.239 9.645 1.00 0.00 N ATOM 0 H ASN A 64 -2.875 -1.859 4.776 1.00 0.00 H new ATOM 0 HA ASN A 64 -3.905 -0.702 6.369 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.376 -2.482 7.763 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.727 -0.981 8.392 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.586 -0.096 10.288 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.037 0.429 9.621 1.00 0.00 H new ATOM 979 N LEU A 65 -1.856 1.141 5.410 1.00 0.00 N ATOM 980 CA LEU A 65 -1.298 2.483 5.289 1.00 0.00 C ATOM 981 C LEU A 65 -2.235 3.393 4.500 1.00 0.00 C ATOM 982 O LEU A 65 -2.891 2.973 3.547 1.00 0.00 O ATOM 983 CB LEU A 65 0.071 2.429 4.609 1.00 0.00 C ATOM 984 CG LEU A 65 1.093 1.479 5.234 1.00 0.00 C ATOM 985 CD1 LEU A 65 2.388 1.490 4.437 1.00 0.00 C ATOM 986 CD2 LEU A 65 1.355 1.857 6.685 1.00 0.00 C ATOM 0 H LEU A 65 -1.895 0.620 4.534 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.182 2.893 6.292 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.074 2.141 3.568 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.493 3.434 4.606 1.00 0.00 H new ATOM 0 HG LEU A 65 0.684 0.469 5.211 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.104 0.808 4.896 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.188 1.171 3.414 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.802 2.498 4.429 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.085 1.170 7.114 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.743 2.874 6.732 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.425 1.797 7.250 1.00 0.00 H new ATOM 998 N PRO A 66 -2.298 4.671 4.904 1.00 0.00 N ATOM 999 CA PRO A 66 -3.149 5.667 4.247 1.00 0.00 C ATOM 1000 C PRO A 66 -2.646 6.030 2.854 1.00 0.00 C ATOM 1001 O PRO A 66 -1.458 5.901 2.559 1.00 0.00 O ATOM 1002 CB PRO A 66 -3.062 6.878 5.180 1.00 0.00 C ATOM 1003 CG PRO A 66 -1.759 6.721 5.883 1.00 0.00 C ATOM 1004 CD PRO A 66 -1.544 5.240 6.033 1.00 0.00 C ATOM 0 HA PRO A 66 -4.164 5.300 4.096 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.100 7.813 4.620 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.893 6.895 5.885 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -0.950 7.177 5.312 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -1.779 7.213 6.856 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.487 4.980 5.982 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -1.916 4.875 6.990 1.00 0.00 H new ATOM 1012 N LEU A 67 -3.558 6.486 2.002 1.00 0.00 N ATOM 1013 CA LEU A 67 -3.207 6.868 0.638 1.00 0.00 C ATOM 1014 C LEU A 67 -2.038 7.849 0.632 1.00 0.00 C ATOM 1015 O LEU A 67 -1.158 7.778 -0.226 1.00 0.00 O ATOM 1016 CB LEU A 67 -4.414 7.492 -0.065 1.00 0.00 C ATOM 1017 CG LEU A 67 -5.174 8.557 0.725 1.00 0.00 C ATOM 1018 CD1 LEU A 67 -5.037 9.917 0.057 1.00 0.00 C ATOM 1019 CD2 LEU A 67 -6.640 8.175 0.863 1.00 0.00 C ATOM 0 H LEU A 67 -4.545 6.600 2.231 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.907 5.968 0.101 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.075 7.936 -1.001 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.110 6.695 -0.324 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.740 8.619 1.723 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.585 10.662 0.634 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.984 10.195 0.011 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.444 9.869 -0.953 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.165 8.945 1.428 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.087 8.083 -0.127 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.720 7.222 1.387 1.00 0.00 H new ATOM 1031 N THR A 68 -2.035 8.764 1.597 1.00 0.00 N ATOM 1032 CA THR A 68 -0.975 9.758 1.704 1.00 0.00 C ATOM 1033 C THR A 68 0.395 9.095 1.785 1.00 0.00 C ATOM 1034 O THR A 68 1.397 9.665 1.354 1.00 0.00 O ATOM 1035 CB THR A 68 -1.171 10.658 2.938 1.00 0.00 C ATOM 1036 OG1 THR A 68 -0.130 11.640 2.999 1.00 0.00 O ATOM 1037 CG2 THR A 68 -1.172 9.832 4.216 1.00 0.00 C ATOM 0 H THR A 68 -2.755 8.837 2.316 1.00 0.00 H new ATOM 0 HA THR A 68 -1.026 10.371 0.804 1.00 0.00 H new ATOM 0 HB THR A 68 -2.136 11.157 2.846 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.263 12.209 3.786 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.312 10.489 5.074 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.984 9.106 4.179 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.221 9.308 4.311 1.00 0.00 H new ATOM 1045 N GLU A 69 0.431 7.887 2.340 1.00 0.00 N ATOM 1046 CA GLU A 69 1.679 7.147 2.477 1.00 0.00 C ATOM 1047 C GLU A 69 1.951 6.303 1.235 1.00 0.00 C ATOM 1048 O GLU A 69 2.972 6.472 0.568 1.00 0.00 O ATOM 1049 CB GLU A 69 1.633 6.250 3.716 1.00 0.00 C ATOM 1050 CG GLU A 69 1.782 7.010 5.023 1.00 0.00 C ATOM 1051 CD GLU A 69 3.231 7.286 5.376 1.00 0.00 C ATOM 1052 OE1 GLU A 69 3.877 8.078 4.659 1.00 0.00 O ATOM 1053 OE2 GLU A 69 3.719 6.708 6.370 1.00 0.00 O ATOM 0 H GLU A 69 -0.390 7.401 2.702 1.00 0.00 H new ATOM 0 HA GLU A 69 2.488 7.869 2.589 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.688 5.708 3.727 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.427 5.506 3.645 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.243 7.955 4.953 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.319 6.437 5.827 1.00 0.00 H new ATOM 1060 N ILE A 70 1.031 5.393 0.932 1.00 0.00 N ATOM 1061 CA ILE A 70 1.170 4.523 -0.229 1.00 0.00 C ATOM 1062 C ILE A 70 1.456 5.332 -1.490 1.00 0.00 C ATOM 1063 O ILE A 70 2.149 4.866 -2.394 1.00 0.00 O ATOM 1064 CB ILE A 70 -0.095 3.675 -0.452 1.00 0.00 C ATOM 1065 CG1 ILE A 70 -0.385 2.818 0.782 1.00 0.00 C ATOM 1066 CG2 ILE A 70 0.064 2.800 -1.686 1.00 0.00 C ATOM 1067 CD1 ILE A 70 0.686 1.788 1.067 1.00 0.00 C ATOM 0 H ILE A 70 0.181 5.239 1.475 1.00 0.00 H new ATOM 0 HA ILE A 70 2.011 3.859 -0.027 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.940 4.345 -0.613 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.492 3.469 1.650 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.340 2.310 0.645 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.839 2.207 -1.830 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.227 3.430 -2.560 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.918 2.135 -1.553 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.415 1.217 1.955 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.778 1.113 0.216 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.638 2.291 1.236 1.00 0.00 H new ATOM 1079 N ASN A 71 0.918 6.546 -1.543 1.00 0.00 N ATOM 1080 CA ASN A 71 1.116 7.420 -2.693 1.00 0.00 C ATOM 1081 C ASN A 71 2.600 7.680 -2.930 1.00 0.00 C ATOM 1082 O ASN A 71 3.062 7.716 -4.071 1.00 0.00 O ATOM 1083 CB ASN A 71 0.381 8.746 -2.484 1.00 0.00 C ATOM 1084 CG ASN A 71 -1.068 8.680 -2.928 1.00 0.00 C ATOM 1085 OD1 ASN A 71 -1.432 7.868 -3.779 1.00 0.00 O ATOM 1086 ND2 ASN A 71 -1.902 9.537 -2.351 1.00 0.00 N ATOM 0 H ASN A 71 0.342 6.947 -0.803 1.00 0.00 H new ATOM 0 HA ASN A 71 0.708 6.921 -3.572 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.423 9.019 -1.430 1.00 0.00 H new ATOM 0 HB3 ASN A 71 0.892 9.533 -3.038 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.889 9.540 -2.608 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.556 10.192 -1.650 1.00 0.00 H new ATOM 1093 N LYS A 72 3.344 7.861 -1.844 1.00 0.00 N ATOM 1094 CA LYS A 72 4.777 8.116 -1.931 1.00 0.00 C ATOM 1095 C LYS A 72 5.557 6.809 -2.036 1.00 0.00 C ATOM 1096 O LYS A 72 6.553 6.727 -2.754 1.00 0.00 O ATOM 1097 CB LYS A 72 5.250 8.908 -0.710 1.00 0.00 C ATOM 1098 CG LYS A 72 6.759 9.059 -0.630 1.00 0.00 C ATOM 1099 CD LYS A 72 7.181 9.779 0.639 1.00 0.00 C ATOM 1100 CE LYS A 72 6.675 11.213 0.661 1.00 0.00 C ATOM 1101 NZ LYS A 72 7.689 12.151 1.218 1.00 0.00 N ATOM 0 H LYS A 72 2.978 7.836 -0.892 1.00 0.00 H new ATOM 0 HA LYS A 72 4.962 8.702 -2.831 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.795 9.898 -0.731 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.894 8.413 0.194 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.226 8.075 -0.663 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.117 9.611 -1.499 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.797 9.243 1.507 1.00 0.00 H new ATOM 0 HD3 LYS A 72 8.268 9.774 0.717 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.413 11.521 -0.351 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.764 11.267 1.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.306 13.118 1.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.921 11.873 2.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.549 12.118 0.635 1.00 0.00 H new ATOM 1115 N ILE A 73 5.096 5.791 -1.317 1.00 0.00 N ATOM 1116 CA ILE A 73 5.749 4.489 -1.332 1.00 0.00 C ATOM 1117 C ILE A 73 5.697 3.863 -2.722 1.00 0.00 C ATOM 1118 O ILE A 73 6.731 3.542 -3.309 1.00 0.00 O ATOM 1119 CB ILE A 73 5.102 3.522 -0.322 1.00 0.00 C ATOM 1120 CG1 ILE A 73 5.166 4.108 1.090 1.00 0.00 C ATOM 1121 CG2 ILE A 73 5.789 2.166 -0.371 1.00 0.00 C ATOM 1122 CD1 ILE A 73 4.213 3.447 2.062 1.00 0.00 C ATOM 0 H ILE A 73 4.273 5.843 -0.717 1.00 0.00 H new ATOM 0 HA ILE A 73 6.788 4.655 -1.049 1.00 0.00 H new ATOM 0 HB ILE A 73 4.055 3.386 -0.591 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.183 4.012 1.469 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.943 5.174 1.043 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.320 1.494 0.348 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.696 1.747 -1.373 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.844 2.283 -0.124 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.312 3.913 3.043 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.190 3.566 1.706 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.450 2.386 2.139 1.00 0.00 H new ATOM 1134 N LEU A 74 4.488 3.696 -3.244 1.00 0.00 N ATOM 1135 CA LEU A 74 4.300 3.110 -4.567 1.00 0.00 C ATOM 1136 C LEU A 74 5.156 3.828 -5.606 1.00 0.00 C ATOM 1137 O LEU A 74 5.651 3.212 -6.551 1.00 0.00 O ATOM 1138 CB LEU A 74 2.826 3.176 -4.971 1.00 0.00 C ATOM 1139 CG LEU A 74 1.934 2.054 -4.439 1.00 0.00 C ATOM 1140 CD1 LEU A 74 0.491 2.271 -4.867 1.00 0.00 C ATOM 1141 CD2 LEU A 74 2.437 0.700 -4.920 1.00 0.00 C ATOM 0 H LEU A 74 3.623 3.958 -2.772 1.00 0.00 H new ATOM 0 HA LEU A 74 4.612 2.067 -4.523 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.419 4.129 -4.631 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.768 3.174 -6.059 1.00 0.00 H new ATOM 0 HG LEU A 74 1.974 2.069 -3.350 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.129 1.463 -4.479 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.134 3.223 -4.474 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.432 2.283 -5.955 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.790 -0.087 -4.532 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.426 0.674 -6.010 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.455 0.542 -4.563 1.00 0.00 H new ATOM 1153 N LYS A 75 5.329 5.132 -5.424 1.00 0.00 N ATOM 1154 CA LYS A 75 6.128 5.934 -6.342 1.00 0.00 C ATOM 1155 C LYS A 75 7.617 5.768 -6.056 1.00 0.00 C ATOM 1156 O LYS A 75 8.447 5.864 -6.959 1.00 0.00 O ATOM 1157 CB LYS A 75 5.739 7.410 -6.235 1.00 0.00 C ATOM 1158 CG LYS A 75 5.463 8.066 -7.576 1.00 0.00 C ATOM 1159 CD LYS A 75 3.975 8.285 -7.795 1.00 0.00 C ATOM 1160 CE LYS A 75 3.715 9.453 -8.733 1.00 0.00 C ATOM 1161 NZ LYS A 75 3.638 9.016 -10.155 1.00 0.00 N ATOM 0 H LYS A 75 4.926 5.657 -4.648 1.00 0.00 H new ATOM 0 HA LYS A 75 5.930 5.585 -7.355 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.852 7.498 -5.608 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.540 7.952 -5.733 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.984 9.022 -7.628 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.861 7.442 -8.376 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.530 7.380 -8.208 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.489 8.471 -6.837 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.783 9.943 -8.453 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.509 10.191 -8.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.460 9.841 -10.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.537 8.571 -10.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.864 8.331 -10.266 1.00 0.00 H new ATOM 1175 N ASN A 76 7.948 5.517 -4.793 1.00 0.00 N ATOM 1176 CA ASN A 76 9.337 5.337 -4.388 1.00 0.00 C ATOM 1177 C ASN A 76 9.954 4.128 -5.084 1.00 0.00 C ATOM 1178 O ASN A 76 10.938 4.253 -5.815 1.00 0.00 O ATOM 1179 CB ASN A 76 9.429 5.167 -2.870 1.00 0.00 C ATOM 1180 CG ASN A 76 10.494 6.053 -2.253 1.00 0.00 C ATOM 1181 OD1 ASN A 76 11.690 5.828 -2.440 1.00 0.00 O ATOM 1182 ND2 ASN A 76 10.063 7.068 -1.513 1.00 0.00 N ATOM 0 H ASN A 76 7.273 5.434 -4.033 1.00 0.00 H new ATOM 0 HA ASN A 76 9.894 6.227 -4.682 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.463 5.399 -2.422 1.00 0.00 H new ATOM 0 HB3 ASN A 76 9.647 4.125 -2.636 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.733 7.699 -1.073 1.00 0.00 H new ATOM 0 HD22 ASN A 76 9.062 7.217 -1.385 1.00 0.00 H new ATOM 1189 N LEU A 77 9.370 2.957 -4.854 1.00 0.00 N ATOM 1190 CA LEU A 77 9.861 1.724 -5.460 1.00 0.00 C ATOM 1191 C LEU A 77 10.005 1.880 -6.970 1.00 0.00 C ATOM 1192 O LEU A 77 10.944 1.359 -7.570 1.00 0.00 O ATOM 1193 CB LEU A 77 8.915 0.565 -5.142 1.00 0.00 C ATOM 1194 CG LEU A 77 9.129 -0.127 -3.796 1.00 0.00 C ATOM 1195 CD1 LEU A 77 7.927 -0.987 -3.440 1.00 0.00 C ATOM 1196 CD2 LEU A 77 10.398 -0.967 -3.823 1.00 0.00 C ATOM 0 H LEU A 77 8.556 2.835 -4.252 1.00 0.00 H new ATOM 0 HA LEU A 77 10.844 1.507 -5.041 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.891 0.938 -5.177 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.010 -0.182 -5.931 1.00 0.00 H new ATOM 0 HG LEU A 77 9.241 0.640 -3.030 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.098 -1.471 -2.479 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.037 -0.361 -3.377 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.783 -1.747 -4.208 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.534 -1.452 -2.856 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.316 -1.726 -4.601 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.255 -0.326 -4.031 1.00 0.00 H new ATOM 1208 N GLU A 78 9.068 2.601 -7.578 1.00 0.00 N ATOM 1209 CA GLU A 78 9.092 2.826 -9.018 1.00 0.00 C ATOM 1210 C GLU A 78 10.412 3.460 -9.448 1.00 0.00 C ATOM 1211 O GLU A 78 11.130 2.917 -10.286 1.00 0.00 O ATOM 1212 CB GLU A 78 7.923 3.720 -9.437 1.00 0.00 C ATOM 1213 CG GLU A 78 7.258 3.285 -10.732 1.00 0.00 C ATOM 1214 CD GLU A 78 7.268 4.374 -11.788 1.00 0.00 C ATOM 1215 OE1 GLU A 78 8.369 4.840 -12.149 1.00 0.00 O ATOM 1216 OE2 GLU A 78 6.175 4.759 -12.253 1.00 0.00 O ATOM 0 H GLU A 78 8.283 3.039 -7.096 1.00 0.00 H new ATOM 0 HA GLU A 78 8.995 1.859 -9.512 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.179 3.727 -8.641 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.281 4.744 -9.548 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.768 2.403 -11.120 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.228 2.993 -10.527 1.00 0.00 H new ATOM 1223 N SER A 79 10.723 4.615 -8.867 1.00 0.00 N ATOM 1224 CA SER A 79 11.953 5.327 -9.192 1.00 0.00 C ATOM 1225 C SER A 79 13.173 4.442 -8.953 1.00 0.00 C ATOM 1226 O SER A 79 14.157 4.508 -9.689 1.00 0.00 O ATOM 1227 CB SER A 79 12.064 6.604 -8.358 1.00 0.00 C ATOM 1228 OG SER A 79 12.664 7.650 -9.103 1.00 0.00 O ATOM 0 H SER A 79 10.140 5.077 -8.169 1.00 0.00 H new ATOM 0 HA SER A 79 11.921 5.593 -10.248 1.00 0.00 H new ATOM 0 HB2 SER A 79 11.073 6.912 -8.026 1.00 0.00 H new ATOM 0 HB3 SER A 79 12.653 6.407 -7.462 1.00 0.00 H new ATOM 0 HG SER A 79 12.722 8.456 -8.548 1.00 0.00 H new ATOM 1234 N LYS A 80 13.100 3.613 -7.917 1.00 0.00 N ATOM 1235 CA LYS A 80 14.195 2.713 -7.578 1.00 0.00 C ATOM 1236 C LYS A 80 14.357 1.630 -8.639 1.00 0.00 C ATOM 1237 O LYS A 80 15.359 0.914 -8.664 1.00 0.00 O ATOM 1238 CB LYS A 80 13.950 2.070 -6.211 1.00 0.00 C ATOM 1239 CG LYS A 80 13.523 3.060 -5.141 1.00 0.00 C ATOM 1240 CD LYS A 80 14.399 2.955 -3.903 1.00 0.00 C ATOM 1241 CE LYS A 80 13.846 3.790 -2.758 1.00 0.00 C ATOM 1242 NZ LYS A 80 14.398 5.173 -2.764 1.00 0.00 N ATOM 0 H LYS A 80 12.293 3.546 -7.297 1.00 0.00 H new ATOM 0 HA LYS A 80 15.114 3.298 -7.538 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.182 1.303 -6.312 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.861 1.568 -5.887 1.00 0.00 H new ATOM 0 HG2 LYS A 80 13.575 4.073 -5.540 1.00 0.00 H new ATOM 0 HG3 LYS A 80 12.483 2.877 -4.869 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.470 1.912 -3.593 1.00 0.00 H new ATOM 0 HD3 LYS A 80 15.410 3.286 -4.142 1.00 0.00 H new ATOM 0 HE2 LYS A 80 12.759 3.832 -2.831 1.00 0.00 H new ATOM 0 HE3 LYS A 80 14.083 3.308 -1.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 15.080 5.278 -1.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 14.876 5.352 -3.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 13.624 5.856 -2.640 1.00 0.00 H new ATOM 1256 N LYS A 81 13.366 1.514 -9.516 1.00 0.00 N ATOM 1257 CA LYS A 81 13.399 0.520 -10.583 1.00 0.00 C ATOM 1258 C LYS A 81 13.396 -0.893 -10.009 1.00 0.00 C ATOM 1259 O LYS A 81 14.008 -1.803 -10.570 1.00 0.00 O ATOM 1260 CB LYS A 81 14.636 0.724 -11.460 1.00 0.00 C ATOM 1261 CG LYS A 81 14.346 0.645 -12.949 1.00 0.00 C ATOM 1262 CD LYS A 81 14.844 1.881 -13.679 1.00 0.00 C ATOM 1263 CE LYS A 81 13.722 2.882 -13.908 1.00 0.00 C ATOM 1264 NZ LYS A 81 13.789 4.019 -12.949 1.00 0.00 N ATOM 0 H LYS A 81 12.529 2.097 -9.509 1.00 0.00 H new ATOM 0 HA LYS A 81 12.505 0.647 -11.193 1.00 0.00 H new ATOM 0 HB2 LYS A 81 15.074 1.696 -11.235 1.00 0.00 H new ATOM 0 HB3 LYS A 81 15.381 -0.029 -11.203 1.00 0.00 H new ATOM 0 HG2 LYS A 81 14.822 -0.242 -13.367 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.273 0.536 -13.107 1.00 0.00 H new ATOM 0 HD2 LYS A 81 15.640 2.351 -13.101 1.00 0.00 H new ATOM 0 HD3 LYS A 81 15.275 1.590 -14.637 1.00 0.00 H new ATOM 0 HE2 LYS A 81 13.778 3.263 -14.928 1.00 0.00 H new ATOM 0 HE3 LYS A 81 12.760 2.379 -13.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 13.008 4.679 -13.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 13.710 3.658 -11.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 14.696 4.515 -13.062 1.00 0.00 H new ATOM 1278 N LEU A 82 12.702 -1.071 -8.891 1.00 0.00 N ATOM 1279 CA LEU A 82 12.617 -2.375 -8.242 1.00 0.00 C ATOM 1280 C LEU A 82 11.315 -3.081 -8.605 1.00 0.00 C ATOM 1281 O LEU A 82 11.237 -4.310 -8.586 1.00 0.00 O ATOM 1282 CB LEU A 82 12.721 -2.219 -6.724 1.00 0.00 C ATOM 1283 CG LEU A 82 14.104 -1.863 -6.178 1.00 0.00 C ATOM 1284 CD1 LEU A 82 14.036 -1.600 -4.682 1.00 0.00 C ATOM 1285 CD2 LEU A 82 15.099 -2.974 -6.482 1.00 0.00 C ATOM 0 H LEU A 82 12.190 -0.329 -8.414 1.00 0.00 H new ATOM 0 HA LEU A 82 13.449 -2.984 -8.596 1.00 0.00 H new ATOM 0 HB2 LEU A 82 12.019 -1.447 -6.409 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.399 -3.151 -6.260 1.00 0.00 H new ATOM 0 HG LEU A 82 14.445 -0.952 -6.670 1.00 0.00 H new ATOM 0 HD11 LEU A 82 15.030 -1.348 -4.311 1.00 0.00 H new ATOM 0 HD12 LEU A 82 13.356 -0.771 -4.489 1.00 0.00 H new ATOM 0 HD13 LEU A 82 13.674 -2.493 -4.172 1.00 0.00 H new ATOM 0 HD21 LEU A 82 16.078 -2.704 -6.086 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.763 -3.901 -6.017 1.00 0.00 H new ATOM 0 HD23 LEU A 82 15.170 -3.114 -7.561 1.00 0.00 H new ATOM 1297 N ILE A 83 10.295 -2.296 -8.936 1.00 0.00 N ATOM 1298 CA ILE A 83 8.997 -2.846 -9.306 1.00 0.00 C ATOM 1299 C ILE A 83 8.565 -2.355 -10.684 1.00 0.00 C ATOM 1300 O ILE A 83 9.244 -1.538 -11.306 1.00 0.00 O ATOM 1301 CB ILE A 83 7.914 -2.473 -8.277 1.00 0.00 C ATOM 1302 CG1 ILE A 83 7.774 -0.953 -8.179 1.00 0.00 C ATOM 1303 CG2 ILE A 83 8.247 -3.069 -6.918 1.00 0.00 C ATOM 1304 CD1 ILE A 83 6.711 -0.506 -7.200 1.00 0.00 C ATOM 0 H ILE A 83 10.343 -1.277 -8.955 1.00 0.00 H new ATOM 0 HA ILE A 83 9.108 -3.930 -9.328 1.00 0.00 H new ATOM 0 HB ILE A 83 6.961 -2.885 -8.609 1.00 0.00 H new ATOM 0 HG12 ILE A 83 8.732 -0.526 -7.882 1.00 0.00 H new ATOM 0 HG13 ILE A 83 7.539 -0.554 -9.166 1.00 0.00 H new ATOM 0 HG21 ILE A 83 7.472 -2.796 -6.201 1.00 0.00 H new ATOM 0 HG22 ILE A 83 8.300 -4.155 -7.000 1.00 0.00 H new ATOM 0 HG23 ILE A 83 9.208 -2.684 -6.577 1.00 0.00 H new ATOM 0 HD11 ILE A 83 6.667 0.583 -7.182 1.00 0.00 H new ATOM 0 HD12 ILE A 83 5.743 -0.903 -7.507 1.00 0.00 H new ATOM 0 HD13 ILE A 83 6.955 -0.875 -6.204 1.00 0.00 H new ATOM 1316 N LYS A 84 7.428 -2.856 -11.155 1.00 0.00 N ATOM 1317 CA LYS A 84 6.901 -2.467 -12.458 1.00 0.00 C ATOM 1318 C LYS A 84 5.395 -2.238 -12.389 1.00 0.00 C ATOM 1319 O LYS A 84 4.635 -3.144 -12.047 1.00 0.00 O ATOM 1320 CB LYS A 84 7.217 -3.542 -13.500 1.00 0.00 C ATOM 1321 CG LYS A 84 6.651 -4.909 -13.156 1.00 0.00 C ATOM 1322 CD LYS A 84 7.348 -6.013 -13.933 1.00 0.00 C ATOM 1323 CE LYS A 84 6.376 -7.112 -14.334 1.00 0.00 C ATOM 1324 NZ LYS A 84 6.334 -7.304 -15.810 1.00 0.00 N ATOM 0 H LYS A 84 6.853 -3.533 -10.653 1.00 0.00 H new ATOM 0 HA LYS A 84 7.380 -1.533 -12.752 1.00 0.00 H new ATOM 0 HB2 LYS A 84 6.822 -3.227 -14.466 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.298 -3.623 -13.609 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.760 -5.091 -12.087 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.583 -4.927 -13.375 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.813 -5.594 -14.825 1.00 0.00 H new ATOM 0 HD3 LYS A 84 8.148 -6.437 -13.326 1.00 0.00 H new ATOM 0 HE2 LYS A 84 6.667 -8.047 -13.854 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.378 -6.864 -13.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.660 -8.061 -16.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.032 -6.420 -16.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 7.280 -7.565 -16.153 1.00 0.00 H new ATOM 1338 N ALA A 85 4.970 -1.023 -12.717 1.00 0.00 N ATOM 1339 CA ALA A 85 3.554 -0.677 -12.696 1.00 0.00 C ATOM 1340 C ALA A 85 2.838 -1.220 -13.927 1.00 0.00 C ATOM 1341 O ALA A 85 3.387 -1.218 -15.029 1.00 0.00 O ATOM 1342 CB ALA A 85 3.381 0.832 -12.604 1.00 0.00 C ATOM 0 H ALA A 85 5.586 -0.261 -13.001 1.00 0.00 H new ATOM 0 HA ALA A 85 3.106 -1.137 -11.815 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.319 1.076 -12.589 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.850 1.197 -11.690 1.00 0.00 H new ATOM 0 HB3 ALA A 85 3.850 1.305 -13.467 1.00 0.00 H new ATOM 1348 N VAL A 86 1.608 -1.685 -13.733 1.00 0.00 N ATOM 1349 CA VAL A 86 0.815 -2.231 -14.829 1.00 0.00 C ATOM 1350 C VAL A 86 -0.580 -1.619 -14.856 1.00 0.00 C ATOM 1351 O VAL A 86 -1.366 -1.794 -13.924 1.00 0.00 O ATOM 1352 CB VAL A 86 0.690 -3.763 -14.722 1.00 0.00 C ATOM 1353 CG1 VAL A 86 1.991 -4.435 -15.134 1.00 0.00 C ATOM 1354 CG2 VAL A 86 0.296 -4.167 -13.309 1.00 0.00 C ATOM 0 H VAL A 86 1.139 -1.695 -12.827 1.00 0.00 H new ATOM 0 HA VAL A 86 1.336 -1.980 -15.753 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.094 -4.095 -15.403 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.884 -5.517 -15.052 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.226 -4.171 -16.165 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.796 -4.100 -14.481 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.212 -5.252 -13.251 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.056 -3.824 -12.607 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.663 -3.715 -13.055 1.00 0.00 H new ATOM 1364 N LYS A 87 -0.884 -0.900 -15.931 1.00 0.00 N ATOM 1365 CA LYS A 87 -2.186 -0.261 -16.083 1.00 0.00 C ATOM 1366 C LYS A 87 -3.173 -1.196 -16.776 1.00 0.00 C ATOM 1367 O LYS A 87 -2.867 -1.774 -17.818 1.00 0.00 O ATOM 1368 CB LYS A 87 -2.051 1.037 -16.881 1.00 0.00 C ATOM 1369 CG LYS A 87 -3.380 1.706 -17.185 1.00 0.00 C ATOM 1370 CD LYS A 87 -3.186 3.044 -17.879 1.00 0.00 C ATOM 1371 CE LYS A 87 -4.182 3.233 -19.013 1.00 0.00 C ATOM 1372 NZ LYS A 87 -4.111 4.604 -19.590 1.00 0.00 N ATOM 0 H LYS A 87 -0.245 -0.745 -16.711 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.567 -0.030 -15.088 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.423 1.732 -16.324 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.538 0.825 -17.819 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -3.982 1.052 -17.816 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.935 1.853 -16.258 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.300 3.851 -17.155 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.171 3.108 -18.270 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -3.986 2.499 -19.795 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -5.191 3.045 -18.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -4.805 4.693 -20.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -4.323 5.303 -18.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -3.156 4.774 -19.964 1.00 0.00 H new