USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 665 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 LYS NZ :NH3+ 166:sc= -0.469 (180deg=-0.852) USER MOD Single : A 24 ASN : amide:sc= -3.66! C(o=-3.7!,f=-4.8!) USER MOD Single : A 26 GLN : amide:sc= -3.39 K(o=-3.4,f=-7.5!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -176:sc= 0.0617 (180deg=0.0588) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.591 USER MOD Single : A 40 SER OG : rot 170:sc= 0 USER MOD Single : A 48 SER OG : rot 15:sc= 0.499 USER MOD Single : A 52 TYR OH : rot 180:sc= -0.224 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.347 X(o=-0.35,f=0) USER MOD Single : A 64 GLN : amide:sc= -1.1! C(o=-1.1!,f=-0.99!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc=-0.00972 K(o=-0.0097,f=-1.5) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 73:sc= 0.063 USER MOD Single : A 87 GLN : amide:sc= -2.43! C(o=-2.4!,f=-8.3!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 66:sc= 1.08 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl -125:sc= -0.421 (180deg=-3.82!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.0408 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 70 N LYS A 21 -7.538 -5.294 -12.216 1.00 0.00 N ATOM 71 CA LYS A 21 -6.834 -4.253 -12.955 1.00 0.00 C ATOM 72 C LYS A 21 -5.940 -3.441 -12.024 1.00 0.00 C ATOM 73 O LYS A 21 -6.296 -3.188 -10.873 1.00 0.00 O ATOM 74 CB LYS A 21 -7.830 -3.333 -13.662 1.00 0.00 C ATOM 75 CG LYS A 21 -8.991 -2.898 -12.782 1.00 0.00 C ATOM 76 CD LYS A 21 -8.766 -1.509 -12.211 1.00 0.00 C ATOM 77 CE LYS A 21 -10.081 -0.837 -11.852 1.00 0.00 C ATOM 78 NZ LYS A 21 -10.034 0.634 -12.077 1.00 0.00 N ATOM 0 HA LYS A 21 -6.206 -4.734 -13.705 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.304 -2.447 -14.018 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.223 -3.845 -14.541 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.913 -2.909 -13.363 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.119 -3.611 -11.968 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.136 -1.576 -11.324 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.230 -0.898 -12.937 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.884 -1.270 -12.448 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.317 -1.037 -10.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.999 1.020 -12.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.462 1.081 -11.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.607 0.830 -13.005 1.00 0.00 H new ATOM 92 N ARG A 22 -4.776 -3.044 -12.523 1.00 0.00 N ATOM 93 CA ARG A 22 -3.832 -2.266 -11.729 1.00 0.00 C ATOM 94 C ARG A 22 -3.885 -0.789 -12.099 1.00 0.00 C ATOM 95 O ARG A 22 -4.223 -0.431 -13.228 1.00 0.00 O ATOM 96 CB ARG A 22 -2.411 -2.801 -11.920 1.00 0.00 C ATOM 97 CG ARG A 22 -1.872 -2.614 -13.329 1.00 0.00 C ATOM 98 CD ARG A 22 -0.974 -1.391 -13.426 1.00 0.00 C ATOM 99 NE ARG A 22 -0.448 -1.203 -14.776 1.00 0.00 N ATOM 100 CZ ARG A 22 0.548 -1.922 -15.290 1.00 0.00 C ATOM 101 NH1 ARG A 22 1.127 -2.874 -14.572 1.00 0.00 N ATOM 102 NH2 ARG A 22 0.965 -1.685 -16.527 1.00 0.00 N ATOM 0 H ARG A 22 -4.463 -3.247 -13.472 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.115 -2.365 -10.681 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.746 -2.300 -11.217 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -2.396 -3.862 -11.672 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.313 -3.501 -13.626 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.703 -2.512 -14.027 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.535 -0.505 -13.129 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.145 -1.493 -12.725 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.868 -0.479 -15.359 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.810 -3.059 -13.620 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.889 -3.421 -14.971 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.523 -0.953 -17.083 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.728 -2.235 -16.922 1.00 0.00 H new ATOM 116 N LEU A 23 -3.544 0.067 -11.139 1.00 0.00 N ATOM 117 CA LEU A 23 -3.550 1.509 -11.363 1.00 0.00 C ATOM 118 C LEU A 23 -2.282 2.152 -10.815 1.00 0.00 C ATOM 119 O LEU A 23 -1.649 1.626 -9.900 1.00 0.00 O ATOM 120 CB LEU A 23 -4.778 2.153 -10.711 1.00 0.00 C ATOM 121 CG LEU A 23 -5.984 1.232 -10.541 1.00 0.00 C ATOM 122 CD1 LEU A 23 -6.944 1.792 -9.503 1.00 0.00 C ATOM 123 CD2 LEU A 23 -6.692 1.030 -11.872 1.00 0.00 C ATOM 0 H LEU A 23 -3.261 -0.213 -10.200 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.590 1.676 -12.439 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.491 2.534 -9.731 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.079 3.012 -11.311 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.629 0.263 -10.190 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.797 1.121 -9.397 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.432 1.883 -8.545 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.293 2.774 -9.822 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.549 0.371 -11.732 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.033 1.993 -12.253 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.002 0.581 -12.587 1.00 0.00 H new ATOM 135 N ASN A 24 -1.923 3.300 -11.379 1.00 0.00 N ATOM 136 CA ASN A 24 -0.738 4.030 -10.946 1.00 0.00 C ATOM 137 C ASN A 24 -1.140 5.301 -10.207 1.00 0.00 C ATOM 138 O ASN A 24 -1.864 6.138 -10.748 1.00 0.00 O ATOM 139 CB ASN A 24 0.143 4.377 -12.151 1.00 0.00 C ATOM 140 CG ASN A 24 1.542 3.805 -12.028 1.00 0.00 C ATOM 141 OD1 ASN A 24 2.043 3.159 -12.948 1.00 0.00 O ATOM 142 ND2 ASN A 24 2.179 4.040 -10.887 1.00 0.00 N ATOM 0 H ASN A 24 -2.437 3.746 -12.139 1.00 0.00 H new ATOM 0 HA ASN A 24 -0.169 3.395 -10.267 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.323 3.997 -13.060 1.00 0.00 H new ATOM 0 HB3 ASN A 24 0.204 5.460 -12.253 1.00 0.00 H new ATOM 0 HD21 ASN A 24 3.123 3.680 -10.746 1.00 0.00 H new ATOM 0 HD22 ASN A 24 1.725 4.581 -10.151 1.00 0.00 H new ATOM 149 N ILE A 25 -0.686 5.437 -8.965 1.00 0.00 N ATOM 150 CA ILE A 25 -1.022 6.606 -8.163 1.00 0.00 C ATOM 151 C ILE A 25 0.206 7.186 -7.466 1.00 0.00 C ATOM 152 O ILE A 25 0.815 6.539 -6.616 1.00 0.00 O ATOM 153 CB ILE A 25 -2.086 6.263 -7.098 1.00 0.00 C ATOM 154 CG1 ILE A 25 -3.327 5.659 -7.759 1.00 0.00 C ATOM 155 CG2 ILE A 25 -2.456 7.501 -6.295 1.00 0.00 C ATOM 156 CD1 ILE A 25 -3.646 4.258 -7.282 1.00 0.00 C ATOM 0 H ILE A 25 -0.089 4.757 -8.495 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.422 7.351 -8.851 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.666 5.525 -6.415 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.183 6.304 -7.563 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.181 5.642 -8.839 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.207 7.240 -5.549 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.568 7.889 -5.796 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.858 8.262 -6.964 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.537 3.894 -7.793 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.807 3.599 -7.502 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.824 4.271 -6.207 1.00 0.00 H new ATOM 168 N GLN A 26 0.545 8.421 -7.820 1.00 0.00 N ATOM 169 CA GLN A 26 1.683 9.105 -7.217 1.00 0.00 C ATOM 170 C GLN A 26 1.193 10.160 -6.236 1.00 0.00 C ATOM 171 O GLN A 26 0.173 10.808 -6.469 1.00 0.00 O ATOM 172 CB GLN A 26 2.566 9.750 -8.290 1.00 0.00 C ATOM 173 CG GLN A 26 1.789 10.310 -9.470 1.00 0.00 C ATOM 174 CD GLN A 26 0.813 11.396 -9.063 1.00 0.00 C ATOM 175 OE1 GLN A 26 -0.382 11.146 -8.903 1.00 0.00 O ATOM 176 NE2 GLN A 26 1.319 12.612 -8.892 1.00 0.00 N ATOM 0 H GLN A 26 0.048 8.969 -8.522 1.00 0.00 H new ATOM 0 HA GLN A 26 2.283 8.369 -6.682 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.146 10.553 -7.835 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.278 9.009 -8.654 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.489 10.712 -10.203 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.245 9.502 -9.958 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.316 12.774 -9.035 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.711 13.383 -8.617 1.00 0.00 H new ATOM 185 N LEU A 27 1.905 10.317 -5.127 1.00 0.00 N ATOM 186 CA LEU A 27 1.511 11.284 -4.111 1.00 0.00 C ATOM 187 C LEU A 27 2.637 12.245 -3.766 1.00 0.00 C ATOM 188 O LEU A 27 3.741 11.835 -3.411 1.00 0.00 O ATOM 189 CB LEU A 27 1.042 10.559 -2.852 1.00 0.00 C ATOM 190 CG LEU A 27 0.046 9.433 -3.109 1.00 0.00 C ATOM 191 CD1 LEU A 27 -0.139 8.582 -1.862 1.00 0.00 C ATOM 192 CD2 LEU A 27 -1.283 10.000 -3.579 1.00 0.00 C ATOM 0 H LEU A 27 2.752 9.792 -4.909 1.00 0.00 H new ATOM 0 HA LEU A 27 0.692 11.873 -4.523 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.911 10.149 -2.338 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.586 11.284 -2.178 1.00 0.00 H new ATOM 0 HG LEU A 27 0.444 8.793 -3.896 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.853 7.785 -2.068 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.818 8.146 -1.574 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.514 9.204 -1.049 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.984 9.184 -3.758 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.687 10.663 -2.814 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.134 10.560 -4.502 1.00 0.00 H new ATOM 204 N LYS A 28 2.333 13.533 -3.866 1.00 0.00 N ATOM 205 CA LYS A 28 3.292 14.580 -3.559 1.00 0.00 C ATOM 206 C LYS A 28 3.472 14.715 -2.051 1.00 0.00 C ATOM 207 O LYS A 28 2.580 15.192 -1.352 1.00 0.00 O ATOM 208 CB LYS A 28 2.821 15.913 -4.145 1.00 0.00 C ATOM 209 CG LYS A 28 3.831 17.033 -3.987 1.00 0.00 C ATOM 210 CD LYS A 28 5.120 16.716 -4.720 1.00 0.00 C ATOM 211 CE LYS A 28 6.173 17.788 -4.494 1.00 0.00 C ATOM 212 NZ LYS A 28 6.152 18.823 -5.564 1.00 0.00 N ATOM 0 H LYS A 28 1.419 13.877 -4.161 1.00 0.00 H new ATOM 0 HA LYS A 28 4.250 14.311 -4.004 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.602 15.778 -5.204 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.889 16.204 -3.662 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.410 17.962 -4.371 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.040 17.191 -2.929 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.503 15.753 -4.383 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.918 16.623 -5.787 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.006 18.262 -3.527 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.159 17.325 -4.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.885 19.535 -5.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.337 18.375 -6.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.219 19.283 -5.584 1.00 0.00 H new ATOM 226 N LYS A 29 4.630 14.292 -1.555 1.00 0.00 N ATOM 227 CA LYS A 29 4.923 14.368 -0.128 1.00 0.00 C ATOM 228 C LYS A 29 4.637 15.766 0.416 1.00 0.00 C ATOM 229 O LYS A 29 4.966 16.767 -0.223 1.00 0.00 O ATOM 230 CB LYS A 29 6.381 13.993 0.132 1.00 0.00 C ATOM 231 CG LYS A 29 6.735 13.922 1.607 1.00 0.00 C ATOM 232 CD LYS A 29 7.219 12.538 2.002 1.00 0.00 C ATOM 233 CE LYS A 29 6.796 12.189 3.418 1.00 0.00 C ATOM 234 NZ LYS A 29 6.762 10.718 3.646 1.00 0.00 N ATOM 0 H LYS A 29 5.380 13.893 -2.119 1.00 0.00 H new ATOM 0 HA LYS A 29 4.275 13.661 0.389 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.587 13.027 -0.330 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.028 14.723 -0.354 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.509 14.656 1.831 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.862 14.187 2.204 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.819 11.799 1.308 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.305 12.494 1.923 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.486 12.649 4.126 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.810 12.609 3.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.404 10.523 4.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.137 10.272 2.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.722 10.330 3.550 1.00 0.00 H new ATOM 284 N GLY A 33 2.946 12.901 6.087 1.00 0.00 N ATOM 285 CA GLY A 33 2.962 11.596 5.447 1.00 0.00 C ATOM 286 C GLY A 33 2.308 11.608 4.080 1.00 0.00 C ATOM 287 O GLY A 33 2.553 12.506 3.275 1.00 0.00 O ATOM 0 HA2 GLY A 33 3.993 11.256 5.349 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.449 10.877 6.085 1.00 0.00 H new ATOM 291 N LEU A 34 1.473 10.606 3.817 1.00 0.00 N ATOM 292 CA LEU A 34 0.782 10.505 2.538 1.00 0.00 C ATOM 293 C LEU A 34 -0.732 10.519 2.728 1.00 0.00 C ATOM 294 O LEU A 34 -1.469 10.993 1.864 1.00 0.00 O ATOM 295 CB LEU A 34 1.212 9.234 1.804 1.00 0.00 C ATOM 296 CG LEU A 34 2.692 9.184 1.421 1.00 0.00 C ATOM 297 CD1 LEU A 34 3.090 7.778 1.003 1.00 0.00 C ATOM 298 CD2 LEU A 34 2.985 10.179 0.308 1.00 0.00 C ATOM 0 H LEU A 34 1.260 9.854 4.473 1.00 0.00 H new ATOM 0 HA LEU A 34 1.055 11.372 1.936 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.985 8.373 2.433 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.613 9.134 0.899 1.00 0.00 H new ATOM 0 HG LEU A 34 3.284 9.459 2.294 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.146 7.764 0.734 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.916 7.090 1.830 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.493 7.471 0.144 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.042 10.132 0.047 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.383 9.934 -0.567 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.740 11.186 0.646 1.00 0.00 H new ATOM 310 N GLY A 35 -1.191 10.000 3.862 1.00 0.00 N ATOM 311 CA GLY A 35 -2.616 9.972 4.140 1.00 0.00 C ATOM 312 C GLY A 35 -3.214 8.584 4.034 1.00 0.00 C ATOM 313 O GLY A 35 -4.434 8.437 3.957 1.00 0.00 O ATOM 0 H GLY A 35 -0.603 9.599 4.593 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.792 10.362 5.143 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.129 10.636 3.445 1.00 0.00 H new ATOM 317 N PHE A 36 -2.365 7.563 4.028 1.00 0.00 N ATOM 318 CA PHE A 36 -2.844 6.190 3.930 1.00 0.00 C ATOM 319 C PHE A 36 -1.883 5.215 4.602 1.00 0.00 C ATOM 320 O PHE A 36 -0.667 5.314 4.442 1.00 0.00 O ATOM 321 CB PHE A 36 -3.046 5.802 2.461 1.00 0.00 C ATOM 322 CG PHE A 36 -1.766 5.575 1.705 1.00 0.00 C ATOM 323 CD1 PHE A 36 -1.000 6.647 1.276 1.00 0.00 C ATOM 324 CD2 PHE A 36 -1.330 4.289 1.425 1.00 0.00 C ATOM 325 CE1 PHE A 36 0.178 6.440 0.581 1.00 0.00 C ATOM 326 CE2 PHE A 36 -0.154 4.077 0.730 1.00 0.00 C ATOM 327 CZ PHE A 36 0.600 5.153 0.307 1.00 0.00 C ATOM 0 H PHE A 36 -1.351 7.658 4.089 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.800 6.133 4.451 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.648 4.895 2.415 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.615 6.588 1.964 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.326 7.655 1.486 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.916 3.443 1.754 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.767 7.283 0.253 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.175 3.070 0.518 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.518 4.989 -0.237 1.00 0.00 H new ATOM 337 N SER A 37 -2.444 4.266 5.341 1.00 0.00 N ATOM 338 CA SER A 37 -1.648 3.256 6.024 1.00 0.00 C ATOM 339 C SER A 37 -1.786 1.924 5.304 1.00 0.00 C ATOM 340 O SER A 37 -2.889 1.526 4.927 1.00 0.00 O ATOM 341 CB SER A 37 -2.095 3.117 7.481 1.00 0.00 C ATOM 342 OG SER A 37 -2.213 4.384 8.103 1.00 0.00 O ATOM 0 H SER A 37 -3.450 4.175 5.482 1.00 0.00 H new ATOM 0 HA SER A 37 -0.602 3.563 6.013 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.053 2.598 7.523 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.377 2.506 8.028 1.00 0.00 H new ATOM 0 HG SER A 37 -2.501 4.267 9.032 1.00 0.00 H new ATOM 348 N ILE A 38 -0.667 1.244 5.093 1.00 0.00 N ATOM 349 CA ILE A 38 -0.686 -0.031 4.391 1.00 0.00 C ATOM 350 C ILE A 38 -0.481 -1.210 5.326 1.00 0.00 C ATOM 351 O ILE A 38 0.336 -1.165 6.245 1.00 0.00 O ATOM 352 CB ILE A 38 0.390 -0.092 3.297 1.00 0.00 C ATOM 353 CG1 ILE A 38 1.755 0.247 3.890 1.00 0.00 C ATOM 354 CG2 ILE A 38 0.039 0.850 2.158 1.00 0.00 C ATOM 355 CD1 ILE A 38 2.915 -0.105 2.986 1.00 0.00 C ATOM 0 H ILE A 38 0.258 1.551 5.395 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.676 -0.101 3.941 1.00 0.00 H new ATOM 0 HB ILE A 38 0.433 -1.104 2.894 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.790 1.313 4.112 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.871 -0.280 4.837 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.811 0.796 1.390 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.920 0.561 1.729 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.025 1.870 2.536 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.852 0.165 3.474 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.907 -1.176 2.783 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.824 0.442 2.048 1.00 0.00 H new ATOM 367 N THR A 39 -1.217 -2.273 5.052 1.00 0.00 N ATOM 368 CA THR A 39 -1.121 -3.502 5.831 1.00 0.00 C ATOM 369 C THR A 39 -0.415 -4.581 5.017 1.00 0.00 C ATOM 370 O THR A 39 -0.162 -4.401 3.825 1.00 0.00 O ATOM 371 CB THR A 39 -2.510 -3.990 6.247 1.00 0.00 C ATOM 372 OG1 THR A 39 -2.457 -5.337 6.683 1.00 0.00 O ATOM 373 CG2 THR A 39 -3.532 -3.910 5.136 1.00 0.00 C ATOM 0 H THR A 39 -1.894 -2.312 4.290 1.00 0.00 H new ATOM 0 HA THR A 39 -0.543 -3.294 6.732 1.00 0.00 H new ATOM 0 HB THR A 39 -2.820 -3.324 7.052 1.00 0.00 H new ATOM 0 HG1 THR A 39 -3.354 -5.631 6.947 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.494 -4.271 5.500 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.633 -2.875 4.809 1.00 0.00 H new ATOM 0 HG23 THR A 39 -3.207 -4.526 4.297 1.00 0.00 H new ATOM 381 N SER A 40 -0.097 -5.695 5.660 1.00 0.00 N ATOM 382 CA SER A 40 0.582 -6.793 4.981 1.00 0.00 C ATOM 383 C SER A 40 -0.084 -8.127 5.295 1.00 0.00 C ATOM 384 O SER A 40 -0.556 -8.350 6.409 1.00 0.00 O ATOM 385 CB SER A 40 2.057 -6.835 5.384 1.00 0.00 C ATOM 386 OG SER A 40 2.210 -7.311 6.710 1.00 0.00 O ATOM 0 H SER A 40 -0.296 -5.864 6.646 1.00 0.00 H new ATOM 0 HA SER A 40 0.511 -6.620 3.907 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.607 -7.479 4.697 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.489 -5.838 5.300 1.00 0.00 H new ATOM 0 HG SER A 40 3.158 -7.481 6.889 1.00 0.00 H new ATOM 392 N ARG A 41 -0.116 -9.013 4.303 1.00 0.00 N ATOM 393 CA ARG A 41 -0.724 -10.329 4.475 1.00 0.00 C ATOM 394 C ARG A 41 -0.136 -11.052 5.685 1.00 0.00 C ATOM 395 O ARG A 41 -0.776 -11.927 6.268 1.00 0.00 O ATOM 396 CB ARG A 41 -0.525 -11.174 3.216 1.00 0.00 C ATOM 397 CG ARG A 41 -1.378 -12.431 3.188 1.00 0.00 C ATOM 398 CD ARG A 41 -1.694 -12.860 1.764 1.00 0.00 C ATOM 399 NE ARG A 41 -1.837 -14.309 1.646 1.00 0.00 N ATOM 400 CZ ARG A 41 -2.934 -14.977 1.997 1.00 0.00 C ATOM 401 NH1 ARG A 41 -3.984 -14.332 2.488 1.00 0.00 N ATOM 402 NH2 ARG A 41 -2.979 -16.295 1.854 1.00 0.00 N ATOM 0 H ARG A 41 0.271 -8.844 3.374 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.791 -10.186 4.645 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.757 -10.567 2.341 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.525 -11.455 3.139 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.857 -13.237 3.704 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.307 -12.253 3.730 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.615 -12.377 1.436 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.901 -12.519 1.099 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.050 -14.840 1.273 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.954 -13.318 2.599 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.821 -14.850 2.755 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -2.174 -16.795 1.476 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.818 -16.809 2.122 1.00 0.00 H new ATOM 491 N SER A 48 7.831 -13.555 0.687 1.00 0.00 N ATOM 492 CA SER A 48 7.030 -12.765 -0.240 1.00 0.00 C ATOM 493 C SER A 48 5.629 -12.538 0.314 1.00 0.00 C ATOM 494 O SER A 48 4.804 -13.451 0.337 1.00 0.00 O ATOM 495 CB SER A 48 6.947 -13.462 -1.598 1.00 0.00 C ATOM 496 OG SER A 48 8.128 -14.198 -1.869 1.00 0.00 O ATOM 0 HA SER A 48 7.514 -11.797 -0.367 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.087 -14.131 -1.614 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.789 -12.721 -2.381 1.00 0.00 H new ATOM 0 HG SER A 48 8.643 -14.306 -1.042 1.00 0.00 H new ATOM 502 N ALA A 49 5.364 -11.312 0.755 1.00 0.00 N ATOM 503 CA ALA A 49 4.063 -10.963 1.306 1.00 0.00 C ATOM 504 C ALA A 49 3.482 -9.739 0.604 1.00 0.00 C ATOM 505 O ALA A 49 4.124 -8.691 0.538 1.00 0.00 O ATOM 506 CB ALA A 49 4.173 -10.711 2.802 1.00 0.00 C ATOM 0 H ALA A 49 6.035 -10.544 0.741 1.00 0.00 H new ATOM 0 HA ALA A 49 3.388 -11.802 1.139 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.192 -10.451 3.200 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.539 -11.611 3.297 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.867 -9.890 2.983 1.00 0.00 H new ATOM 512 N PRO A 50 2.255 -9.852 0.065 1.00 0.00 N ATOM 513 CA PRO A 50 1.598 -8.743 -0.634 1.00 0.00 C ATOM 514 C PRO A 50 1.146 -7.640 0.320 1.00 0.00 C ATOM 515 O PRO A 50 0.608 -7.915 1.394 1.00 0.00 O ATOM 516 CB PRO A 50 0.388 -9.407 -1.292 1.00 0.00 C ATOM 517 CG PRO A 50 0.086 -10.580 -0.428 1.00 0.00 C ATOM 518 CD PRO A 50 1.412 -11.063 0.092 1.00 0.00 C ATOM 0 HA PRO A 50 2.269 -8.252 -1.339 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.460 -8.724 -1.343 1.00 0.00 H new ATOM 0 HB3 PRO A 50 0.612 -9.714 -2.314 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.576 -10.301 0.391 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -0.420 -11.362 -0.994 1.00 0.00 H new ATOM 0 HD2 PRO A 50 1.324 -11.468 1.100 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.825 -11.853 -0.535 1.00 0.00 H new ATOM 526 N ILE A 51 1.370 -6.392 -0.082 1.00 0.00 N ATOM 527 CA ILE A 51 0.988 -5.245 0.730 1.00 0.00 C ATOM 528 C ILE A 51 -0.366 -4.691 0.295 1.00 0.00 C ATOM 529 O ILE A 51 -0.753 -4.812 -0.868 1.00 0.00 O ATOM 530 CB ILE A 51 2.039 -4.124 0.643 1.00 0.00 C ATOM 531 CG1 ILE A 51 3.441 -4.688 0.904 1.00 0.00 C ATOM 532 CG2 ILE A 51 1.708 -3.004 1.621 1.00 0.00 C ATOM 533 CD1 ILE A 51 3.782 -4.842 2.372 1.00 0.00 C ATOM 0 H ILE A 51 1.815 -6.151 -0.967 1.00 0.00 H new ATOM 0 HA ILE A 51 0.921 -5.593 1.761 1.00 0.00 H new ATOM 0 HB ILE A 51 2.023 -3.706 -0.363 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.526 -5.660 0.418 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.177 -4.033 0.438 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.462 -2.220 1.545 1.00 0.00 H new ATOM 0 HG22 ILE A 51 0.729 -2.590 1.382 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.696 -3.399 2.637 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.789 -5.246 2.471 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.732 -3.869 2.861 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.071 -5.521 2.841 1.00 0.00 H new ATOM 545 N TYR A 52 -1.078 -4.081 1.235 1.00 0.00 N ATOM 546 CA TYR A 52 -2.388 -3.504 0.952 1.00 0.00 C ATOM 547 C TYR A 52 -2.588 -2.211 1.734 1.00 0.00 C ATOM 548 O TYR A 52 -1.755 -1.841 2.558 1.00 0.00 O ATOM 549 CB TYR A 52 -3.495 -4.501 1.298 1.00 0.00 C ATOM 550 CG TYR A 52 -3.283 -5.873 0.697 1.00 0.00 C ATOM 551 CD1 TYR A 52 -2.384 -6.768 1.263 1.00 0.00 C ATOM 552 CD2 TYR A 52 -3.984 -6.272 -0.434 1.00 0.00 C ATOM 553 CE1 TYR A 52 -2.189 -8.022 0.717 1.00 0.00 C ATOM 554 CE2 TYR A 52 -3.794 -7.524 -0.985 1.00 0.00 C ATOM 555 CZ TYR A 52 -2.896 -8.396 -0.406 1.00 0.00 C ATOM 556 OH TYR A 52 -2.703 -9.644 -0.952 1.00 0.00 O ATOM 0 H TYR A 52 -0.770 -3.973 2.201 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.437 -3.277 -0.113 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.563 -4.595 2.382 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.450 -4.105 0.952 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -1.829 -6.479 2.143 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -4.689 -5.592 -0.890 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.486 -8.706 1.168 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -4.346 -7.819 -1.865 1.00 0.00 H new ATOM 0 HH TYR A 52 -3.278 -9.750 -1.738 1.00 0.00 H new ATOM 566 N VAL A 53 -3.700 -1.531 1.474 1.00 0.00 N ATOM 567 CA VAL A 53 -4.006 -0.282 2.160 1.00 0.00 C ATOM 568 C VAL A 53 -4.938 -0.526 3.342 1.00 0.00 C ATOM 569 O VAL A 53 -6.150 -0.648 3.176 1.00 0.00 O ATOM 570 CB VAL A 53 -4.652 0.742 1.206 1.00 0.00 C ATOM 571 CG1 VAL A 53 -4.880 2.070 1.917 1.00 0.00 C ATOM 572 CG2 VAL A 53 -3.788 0.935 -0.030 1.00 0.00 C ATOM 0 H VAL A 53 -4.402 -1.823 0.795 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.061 0.124 2.522 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.621 0.355 0.891 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.337 2.779 1.226 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.541 1.917 2.770 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.925 2.465 2.264 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.258 1.661 -0.693 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.804 1.299 0.267 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.681 -0.016 -0.551 1.00 0.00 H new ATOM 582 N LYS A 54 -4.358 -0.594 4.537 1.00 0.00 N ATOM 583 CA LYS A 54 -5.130 -0.824 5.753 1.00 0.00 C ATOM 584 C LYS A 54 -6.243 0.207 5.894 1.00 0.00 C ATOM 585 O LYS A 54 -7.308 -0.088 6.437 1.00 0.00 O ATOM 586 CB LYS A 54 -4.216 -0.772 6.978 1.00 0.00 C ATOM 587 CG LYS A 54 -4.940 -1.037 8.289 1.00 0.00 C ATOM 588 CD LYS A 54 -4.905 -2.511 8.654 1.00 0.00 C ATOM 589 CE LYS A 54 -3.794 -2.814 9.646 1.00 0.00 C ATOM 590 NZ LYS A 54 -4.310 -2.950 11.036 1.00 0.00 N ATOM 0 H LYS A 54 -3.354 -0.493 4.689 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.582 -1.814 5.685 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.419 -1.506 6.858 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.742 0.208 7.026 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.479 -0.453 9.085 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.975 -0.705 8.208 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.864 -2.804 9.080 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.761 -3.107 7.753 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.289 -3.735 9.355 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.050 -2.018 9.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.520 -3.156 11.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.769 -2.063 11.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.001 -3.726 11.075 1.00 0.00 H new ATOM 604 N ASN A 55 -5.991 1.416 5.405 1.00 0.00 N ATOM 605 CA ASN A 55 -6.981 2.487 5.483 1.00 0.00 C ATOM 606 C ASN A 55 -6.468 3.780 4.855 1.00 0.00 C ATOM 607 O ASN A 55 -5.267 4.047 4.846 1.00 0.00 O ATOM 608 CB ASN A 55 -7.368 2.744 6.942 1.00 0.00 C ATOM 609 CG ASN A 55 -8.831 3.107 7.097 1.00 0.00 C ATOM 610 OD1 ASN A 55 -9.646 2.284 7.512 1.00 0.00 O ATOM 611 ND2 ASN A 55 -9.172 4.347 6.763 1.00 0.00 N ATOM 0 H ASN A 55 -5.116 1.679 4.953 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.857 2.163 4.921 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -7.153 1.855 7.534 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -6.752 3.550 7.342 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -10.143 4.649 6.846 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.463 4.997 6.423 1.00 0.00 H new ATOM 618 N ILE A 56 -7.398 4.583 4.344 1.00 0.00 N ATOM 619 CA ILE A 56 -7.057 5.858 3.724 1.00 0.00 C ATOM 620 C ILE A 56 -7.370 7.009 4.675 1.00 0.00 C ATOM 621 O ILE A 56 -8.507 7.473 4.755 1.00 0.00 O ATOM 622 CB ILE A 56 -7.824 6.068 2.400 1.00 0.00 C ATOM 623 CG1 ILE A 56 -7.566 4.901 1.447 1.00 0.00 C ATOM 624 CG2 ILE A 56 -7.423 7.387 1.753 1.00 0.00 C ATOM 625 CD1 ILE A 56 -6.138 4.829 0.947 1.00 0.00 C ATOM 0 H ILE A 56 -8.396 4.371 4.348 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.989 5.840 3.506 1.00 0.00 H new ATOM 0 HB ILE A 56 -8.891 6.106 2.619 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.812 3.968 1.954 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -8.237 4.986 0.592 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -7.974 7.518 0.821 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.655 8.209 2.430 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.353 7.379 1.544 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.030 3.977 0.276 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.894 5.746 0.411 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.461 4.712 1.794 1.00 0.00 H new ATOM 637 N LEU A 57 -6.352 7.456 5.403 1.00 0.00 N ATOM 638 CA LEU A 57 -6.512 8.544 6.364 1.00 0.00 C ATOM 639 C LEU A 57 -7.152 9.771 5.716 1.00 0.00 C ATOM 640 O LEU A 57 -6.968 10.022 4.526 1.00 0.00 O ATOM 641 CB LEU A 57 -5.158 8.914 6.969 1.00 0.00 C ATOM 642 CG LEU A 57 -4.343 7.729 7.489 1.00 0.00 C ATOM 643 CD1 LEU A 57 -3.081 8.210 8.185 1.00 0.00 C ATOM 644 CD2 LEU A 57 -5.182 6.875 8.430 1.00 0.00 C ATOM 0 H LEU A 57 -5.405 7.081 5.346 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.177 8.198 7.155 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.570 9.439 6.216 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.321 9.613 7.789 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.050 7.115 6.637 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.516 7.351 8.547 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.470 8.776 7.481 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.350 8.848 9.026 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.585 6.037 8.790 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.507 7.479 9.277 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.055 6.497 7.898 1.00 0.00 H new ATOM 656 N PRO A 58 -7.926 10.548 6.498 1.00 0.00 N ATOM 657 CA PRO A 58 -8.609 11.745 6.006 1.00 0.00 C ATOM 658 C PRO A 58 -7.729 12.995 6.026 1.00 0.00 C ATOM 659 O PRO A 58 -8.230 14.111 6.165 1.00 0.00 O ATOM 660 CB PRO A 58 -9.760 11.893 6.992 1.00 0.00 C ATOM 661 CG PRO A 58 -9.216 11.377 8.281 1.00 0.00 C ATOM 662 CD PRO A 58 -8.207 10.311 7.928 1.00 0.00 C ATOM 0 HA PRO A 58 -8.909 11.644 4.963 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -10.075 12.933 7.082 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -10.632 11.323 6.673 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -8.749 12.179 8.853 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -10.013 10.966 8.901 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -7.304 10.399 8.533 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -8.607 9.311 8.096 1.00 0.00 H new ATOM 670 N ARG A 59 -6.422 12.806 5.883 1.00 0.00 N ATOM 671 CA ARG A 59 -5.488 13.926 5.883 1.00 0.00 C ATOM 672 C ARG A 59 -4.177 13.544 5.204 1.00 0.00 C ATOM 673 O ARG A 59 -3.242 13.079 5.855 1.00 0.00 O ATOM 674 CB ARG A 59 -5.218 14.392 7.314 1.00 0.00 C ATOM 675 CG ARG A 59 -6.352 15.208 7.911 1.00 0.00 C ATOM 676 CD ARG A 59 -5.876 16.049 9.084 1.00 0.00 C ATOM 677 NE ARG A 59 -6.915 16.956 9.567 1.00 0.00 N ATOM 678 CZ ARG A 59 -6.727 17.851 10.535 1.00 0.00 C ATOM 679 NH1 ARG A 59 -5.543 17.961 11.125 1.00 0.00 N ATOM 680 NH2 ARG A 59 -7.725 18.637 10.914 1.00 0.00 N ATOM 0 H ARG A 59 -5.986 11.891 5.766 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.941 14.743 5.321 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.038 13.520 7.943 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.306 14.989 7.327 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -6.777 15.857 7.145 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -7.148 14.540 8.240 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -5.562 15.393 9.896 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.002 16.627 8.784 1.00 0.00 H new ATOM 0 HE ARG A 59 -7.838 16.900 9.137 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.772 17.358 10.837 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -5.404 18.648 11.866 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -8.637 18.556 10.464 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -7.581 19.322 11.655 1.00 0.00 H new ATOM 694 N GLY A 60 -4.114 13.750 3.891 1.00 0.00 N ATOM 695 CA GLY A 60 -2.911 13.422 3.149 1.00 0.00 C ATOM 696 C GLY A 60 -3.040 13.714 1.667 1.00 0.00 C ATOM 697 O GLY A 60 -4.031 14.294 1.224 1.00 0.00 O ATOM 0 H GLY A 60 -4.873 14.137 3.330 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.073 13.988 3.555 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.680 12.366 3.288 1.00 0.00 H new ATOM 701 N ALA A 61 -2.027 13.319 0.902 1.00 0.00 N ATOM 702 CA ALA A 61 -2.017 13.548 -0.537 1.00 0.00 C ATOM 703 C ALA A 61 -2.943 12.589 -1.281 1.00 0.00 C ATOM 704 O ALA A 61 -3.624 12.982 -2.227 1.00 0.00 O ATOM 705 CB ALA A 61 -0.597 13.438 -1.074 1.00 0.00 C ATOM 0 H ALA A 61 -1.201 12.838 1.257 1.00 0.00 H new ATOM 0 HA ALA A 61 -2.393 14.556 -0.710 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.601 13.611 -2.150 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.034 14.183 -0.589 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.206 12.442 -0.868 1.00 0.00 H new ATOM 711 N ALA A 62 -2.954 11.329 -0.864 1.00 0.00 N ATOM 712 CA ALA A 62 -3.788 10.320 -1.514 1.00 0.00 C ATOM 713 C ALA A 62 -5.256 10.724 -1.551 1.00 0.00 C ATOM 714 O ALA A 62 -5.871 10.754 -2.617 1.00 0.00 O ATOM 715 CB ALA A 62 -3.626 8.975 -0.822 1.00 0.00 C ATOM 0 H ALA A 62 -2.399 10.980 -0.083 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.450 10.236 -2.547 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.253 8.233 -1.317 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.583 8.662 -0.875 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.925 9.065 0.222 1.00 0.00 H new ATOM 721 N ILE A 63 -5.825 11.023 -0.389 1.00 0.00 N ATOM 722 CA ILE A 63 -7.225 11.404 -0.314 1.00 0.00 C ATOM 723 C ILE A 63 -7.521 12.662 -1.130 1.00 0.00 C ATOM 724 O ILE A 63 -8.556 12.743 -1.793 1.00 0.00 O ATOM 725 CB ILE A 63 -7.681 11.594 1.146 1.00 0.00 C ATOM 726 CG1 ILE A 63 -9.103 11.065 1.299 1.00 0.00 C ATOM 727 CG2 ILE A 63 -7.589 13.053 1.582 1.00 0.00 C ATOM 728 CD1 ILE A 63 -9.529 10.891 2.735 1.00 0.00 C ATOM 0 H ILE A 63 -5.339 11.008 0.508 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.794 10.582 -0.748 1.00 0.00 H new ATOM 0 HB ILE A 63 -7.013 11.030 1.797 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.792 11.750 0.804 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.183 10.107 0.786 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -7.919 13.145 2.617 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.557 13.393 1.499 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.225 13.665 0.942 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -10.550 10.512 2.768 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -8.863 10.183 3.229 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -9.482 11.852 3.247 1.00 0.00 H new ATOM 740 N GLN A 64 -6.619 13.639 -1.091 1.00 0.00 N ATOM 741 CA GLN A 64 -6.822 14.870 -1.844 1.00 0.00 C ATOM 742 C GLN A 64 -6.656 14.616 -3.339 1.00 0.00 C ATOM 743 O GLN A 64 -7.332 15.232 -4.161 1.00 0.00 O ATOM 744 CB GLN A 64 -5.852 15.958 -1.383 1.00 0.00 C ATOM 745 CG GLN A 64 -4.395 15.595 -1.584 1.00 0.00 C ATOM 746 CD GLN A 64 -3.455 16.725 -1.207 1.00 0.00 C ATOM 747 OE1 GLN A 64 -3.186 16.959 -0.028 1.00 0.00 O ATOM 748 NE2 GLN A 64 -2.952 17.435 -2.211 1.00 0.00 N ATOM 0 H GLN A 64 -5.753 13.603 -0.554 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.839 15.215 -1.658 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.067 16.879 -1.926 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.024 16.163 -0.326 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.158 14.715 -0.986 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.232 15.325 -2.627 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.202 17.206 -3.173 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -2.316 18.209 -2.020 1.00 0.00 H new ATOM 757 N ASP A 65 -5.758 13.696 -3.682 1.00 0.00 N ATOM 758 CA ASP A 65 -5.515 13.355 -5.078 1.00 0.00 C ATOM 759 C ASP A 65 -6.694 12.576 -5.653 1.00 0.00 C ATOM 760 O ASP A 65 -7.025 12.706 -6.831 1.00 0.00 O ATOM 761 CB ASP A 65 -4.232 12.536 -5.215 1.00 0.00 C ATOM 762 CG ASP A 65 -3.550 12.747 -6.552 1.00 0.00 C ATOM 763 OD1 ASP A 65 -4.212 12.553 -7.593 1.00 0.00 O ATOM 764 OD2 ASP A 65 -2.354 13.107 -6.559 1.00 0.00 O ATOM 0 H ASP A 65 -5.189 13.176 -3.014 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.401 14.283 -5.639 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.545 12.806 -4.413 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.465 11.478 -5.092 1.00 0.00 H new ATOM 769 N GLY A 66 -7.325 11.765 -4.807 1.00 0.00 N ATOM 770 CA GLY A 66 -8.459 10.972 -5.246 1.00 0.00 C ATOM 771 C GLY A 66 -8.087 9.997 -6.343 1.00 0.00 C ATOM 772 O GLY A 66 -8.630 10.058 -7.446 1.00 0.00 O ATOM 0 H GLY A 66 -7.071 11.644 -3.827 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -8.866 10.423 -4.397 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -9.247 11.635 -5.604 1.00 0.00 H new ATOM 776 N ARG A 67 -7.155 9.098 -6.044 1.00 0.00 N ATOM 777 CA ARG A 67 -6.709 8.111 -7.019 1.00 0.00 C ATOM 778 C ARG A 67 -6.555 6.732 -6.384 1.00 0.00 C ATOM 779 O ARG A 67 -6.972 5.726 -6.960 1.00 0.00 O ATOM 780 CB ARG A 67 -5.385 8.550 -7.646 1.00 0.00 C ATOM 781 CG ARG A 67 -5.444 9.927 -8.290 1.00 0.00 C ATOM 782 CD ARG A 67 -4.260 10.161 -9.214 1.00 0.00 C ATOM 783 NE ARG A 67 -4.399 11.398 -9.979 1.00 0.00 N ATOM 784 CZ ARG A 67 -3.412 11.952 -10.680 1.00 0.00 C ATOM 785 NH1 ARG A 67 -2.213 11.383 -10.714 1.00 0.00 N ATOM 786 NH2 ARG A 67 -3.624 13.078 -11.346 1.00 0.00 N ATOM 0 H ARG A 67 -6.695 9.033 -5.136 1.00 0.00 H new ATOM 0 HA ARG A 67 -7.470 8.041 -7.797 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.611 8.550 -6.878 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.088 7.819 -8.398 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.372 10.027 -8.853 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.458 10.692 -7.514 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -3.343 10.200 -8.626 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -4.163 9.319 -9.900 1.00 0.00 H new ATOM 0 HE ARG A 67 -5.306 11.865 -9.976 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.045 10.517 -10.202 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -1.460 11.812 -11.253 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.543 13.520 -11.321 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -2.868 13.503 -11.883 1.00 0.00 H new ATOM 800 N LEU A 68 -5.952 6.689 -5.202 1.00 0.00 N ATOM 801 CA LEU A 68 -5.742 5.429 -4.500 1.00 0.00 C ATOM 802 C LEU A 68 -6.598 5.361 -3.235 1.00 0.00 C ATOM 803 O LEU A 68 -6.474 6.197 -2.339 1.00 0.00 O ATOM 804 CB LEU A 68 -4.251 5.258 -4.167 1.00 0.00 C ATOM 805 CG LEU A 68 -3.924 4.882 -2.720 1.00 0.00 C ATOM 806 CD1 LEU A 68 -4.456 3.494 -2.393 1.00 0.00 C ATOM 807 CD2 LEU A 68 -2.422 4.947 -2.479 1.00 0.00 C ATOM 0 H LEU A 68 -5.600 7.511 -4.710 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.049 4.610 -5.150 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.839 4.491 -4.823 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.737 6.190 -4.404 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.412 5.600 -2.061 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.213 3.245 -1.360 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.538 3.478 -2.525 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.998 2.763 -3.059 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.207 4.677 -1.445 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.916 4.252 -3.148 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.066 5.959 -2.671 1.00 0.00 H new ATOM 819 N LYS A 69 -7.467 4.358 -3.173 1.00 0.00 N ATOM 820 CA LYS A 69 -8.343 4.171 -2.026 1.00 0.00 C ATOM 821 C LYS A 69 -7.926 2.949 -1.216 1.00 0.00 C ATOM 822 O LYS A 69 -6.867 2.367 -1.451 1.00 0.00 O ATOM 823 CB LYS A 69 -9.793 4.016 -2.489 1.00 0.00 C ATOM 824 CG LYS A 69 -10.573 5.318 -2.498 1.00 0.00 C ATOM 825 CD LYS A 69 -10.444 6.060 -1.178 1.00 0.00 C ATOM 826 CE LYS A 69 -11.792 6.567 -0.685 1.00 0.00 C ATOM 827 NZ LYS A 69 -11.647 7.706 0.262 1.00 0.00 N ATOM 0 H LYS A 69 -7.582 3.660 -3.908 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.261 5.052 -1.390 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.801 3.591 -3.493 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.299 3.304 -1.837 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.213 5.952 -3.308 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -11.624 5.111 -2.698 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.008 5.399 -0.429 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.760 6.900 -1.298 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -12.396 6.879 -1.537 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.328 5.754 -0.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.588 8.021 0.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.093 7.402 1.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.159 8.492 -0.213 1.00 0.00 H new ATOM 841 N ALA A 70 -8.769 2.564 -0.266 1.00 0.00 N ATOM 842 CA ALA A 70 -8.494 1.408 0.579 1.00 0.00 C ATOM 843 C ALA A 70 -8.877 0.110 -0.124 1.00 0.00 C ATOM 844 O ALA A 70 -9.696 0.108 -1.043 1.00 0.00 O ATOM 845 CB ALA A 70 -9.238 1.531 1.899 1.00 0.00 C ATOM 0 H ALA A 70 -9.650 3.036 -0.061 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.423 1.382 0.778 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.024 0.661 2.520 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.915 2.435 2.416 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.310 1.586 1.709 1.00 0.00 H new ATOM 851 N GLY A 71 -8.279 -0.994 0.313 1.00 0.00 N ATOM 852 CA GLY A 71 -8.573 -2.283 -0.285 1.00 0.00 C ATOM 853 C GLY A 71 -7.653 -2.619 -1.446 1.00 0.00 C ATOM 854 O GLY A 71 -7.651 -3.749 -1.936 1.00 0.00 O ATOM 0 H GLY A 71 -7.596 -1.019 1.070 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.488 -3.059 0.476 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.606 -2.290 -0.633 1.00 0.00 H new ATOM 858 N ASP A 72 -6.868 -1.640 -1.889 1.00 0.00 N ATOM 859 CA ASP A 72 -5.944 -1.845 -3.000 1.00 0.00 C ATOM 860 C ASP A 72 -4.625 -2.437 -2.508 1.00 0.00 C ATOM 861 O ASP A 72 -4.246 -2.252 -1.352 1.00 0.00 O ATOM 862 CB ASP A 72 -5.686 -0.524 -3.725 1.00 0.00 C ATOM 863 CG ASP A 72 -6.477 -0.407 -5.013 1.00 0.00 C ATOM 864 OD1 ASP A 72 -7.697 -0.152 -4.941 1.00 0.00 O ATOM 865 OD2 ASP A 72 -5.876 -0.573 -6.096 1.00 0.00 O ATOM 0 H ASP A 72 -6.854 -0.699 -1.496 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.400 -2.549 -3.696 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.945 0.305 -3.066 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.622 -0.436 -3.946 1.00 0.00 H new ATOM 870 N ARG A 73 -3.929 -3.145 -3.393 1.00 0.00 N ATOM 871 CA ARG A 73 -2.653 -3.760 -3.044 1.00 0.00 C ATOM 872 C ARG A 73 -1.502 -3.082 -3.781 1.00 0.00 C ATOM 873 O ARG A 73 -1.583 -2.830 -4.984 1.00 0.00 O ATOM 874 CB ARG A 73 -2.674 -5.256 -3.366 1.00 0.00 C ATOM 875 CG ARG A 73 -2.873 -5.562 -4.840 1.00 0.00 C ATOM 876 CD ARG A 73 -3.474 -6.943 -5.046 1.00 0.00 C ATOM 877 NE ARG A 73 -2.617 -7.999 -4.511 1.00 0.00 N ATOM 878 CZ ARG A 73 -2.721 -9.281 -4.851 1.00 0.00 C ATOM 879 NH1 ARG A 73 -3.643 -9.672 -5.724 1.00 0.00 N ATOM 880 NH2 ARG A 73 -1.902 -10.177 -4.318 1.00 0.00 N ATOM 0 H ARG A 73 -4.227 -3.307 -4.355 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.499 -3.632 -1.973 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -1.737 -5.703 -3.035 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.472 -5.730 -2.795 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.526 -4.810 -5.284 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -1.916 -5.499 -5.358 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -4.450 -6.989 -4.563 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -3.636 -7.112 -6.110 1.00 0.00 H new ATOM 0 HE ARG A 73 -1.897 -7.738 -3.837 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -4.276 -8.988 -6.138 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -3.718 -10.656 -5.981 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -1.192 -9.884 -3.647 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.982 -11.160 -4.579 1.00 0.00 H new ATOM 894 N LEU A 74 -0.434 -2.783 -3.049 1.00 0.00 N ATOM 895 CA LEU A 74 0.736 -2.128 -3.624 1.00 0.00 C ATOM 896 C LEU A 74 1.603 -3.116 -4.396 1.00 0.00 C ATOM 897 O LEU A 74 2.195 -4.026 -3.817 1.00 0.00 O ATOM 898 CB LEU A 74 1.564 -1.464 -2.524 1.00 0.00 C ATOM 899 CG LEU A 74 1.009 -0.138 -2.008 1.00 0.00 C ATOM 900 CD1 LEU A 74 0.084 -0.373 -0.823 1.00 0.00 C ATOM 901 CD2 LEU A 74 2.142 0.802 -1.625 1.00 0.00 C ATOM 0 H LEU A 74 -0.354 -2.985 -2.052 1.00 0.00 H new ATOM 0 HA LEU A 74 0.382 -1.368 -4.321 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.648 -2.156 -1.686 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.573 -1.296 -2.901 1.00 0.00 H new ATOM 0 HG LEU A 74 0.432 0.329 -2.807 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.302 0.582 -0.468 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.746 -1.009 -1.130 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.637 -0.861 -0.021 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.727 1.742 -1.260 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.746 0.343 -0.842 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.765 0.996 -2.498 1.00 0.00 H new ATOM 913 N ILE A 75 1.678 -2.917 -5.705 1.00 0.00 N ATOM 914 CA ILE A 75 2.480 -3.773 -6.566 1.00 0.00 C ATOM 915 C ILE A 75 3.933 -3.304 -6.586 1.00 0.00 C ATOM 916 O ILE A 75 4.853 -4.101 -6.770 1.00 0.00 O ATOM 917 CB ILE A 75 1.926 -3.796 -8.001 1.00 0.00 C ATOM 918 CG1 ILE A 75 0.505 -4.369 -7.987 1.00 0.00 C ATOM 919 CG2 ILE A 75 2.839 -4.606 -8.920 1.00 0.00 C ATOM 920 CD1 ILE A 75 -0.020 -4.751 -9.350 1.00 0.00 C ATOM 0 H ILE A 75 1.191 -2.167 -6.195 1.00 0.00 H new ATOM 0 HA ILE A 75 2.434 -4.783 -6.160 1.00 0.00 H new ATOM 0 HB ILE A 75 1.891 -2.779 -8.391 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.486 -5.248 -7.343 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.167 -3.634 -7.544 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.429 -4.609 -9.930 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.832 -4.157 -8.934 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.908 -5.630 -8.553 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.031 -5.148 -9.253 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.036 -3.871 -9.993 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.627 -5.510 -9.789 1.00 0.00 H new ATOM 932 N GLU A 76 4.131 -2.003 -6.393 1.00 0.00 N ATOM 933 CA GLU A 76 5.475 -1.430 -6.391 1.00 0.00 C ATOM 934 C GLU A 76 5.465 0.006 -5.877 1.00 0.00 C ATOM 935 O GLU A 76 4.456 0.707 -5.974 1.00 0.00 O ATOM 936 CB GLU A 76 6.073 -1.471 -7.797 1.00 0.00 C ATOM 937 CG GLU A 76 5.208 -0.794 -8.843 1.00 0.00 C ATOM 938 CD GLU A 76 6.015 -0.250 -10.006 1.00 0.00 C ATOM 939 OE1 GLU A 76 6.417 -1.050 -10.874 1.00 0.00 O ATOM 940 OE2 GLU A 76 6.243 0.978 -10.047 1.00 0.00 O ATOM 0 H GLU A 76 3.383 -1.328 -6.237 1.00 0.00 H new ATOM 0 HA GLU A 76 6.090 -2.030 -5.720 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.052 -0.992 -7.781 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.232 -2.510 -8.085 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.473 -1.507 -9.218 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.653 0.021 -8.378 1.00 0.00 H new ATOM 947 N VAL A 77 6.600 0.438 -5.338 1.00 0.00 N ATOM 948 CA VAL A 77 6.738 1.791 -4.814 1.00 0.00 C ATOM 949 C VAL A 77 7.948 2.484 -5.433 1.00 0.00 C ATOM 950 O VAL A 77 9.056 1.946 -5.422 1.00 0.00 O ATOM 951 CB VAL A 77 6.885 1.789 -3.280 1.00 0.00 C ATOM 952 CG1 VAL A 77 6.942 3.211 -2.743 1.00 0.00 C ATOM 953 CG2 VAL A 77 5.744 1.014 -2.638 1.00 0.00 C ATOM 0 H VAL A 77 7.441 -0.133 -5.253 1.00 0.00 H new ATOM 0 HA VAL A 77 5.831 2.334 -5.077 1.00 0.00 H new ATOM 0 HB VAL A 77 7.822 1.294 -3.024 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.046 3.186 -1.658 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.796 3.730 -3.178 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.025 3.737 -3.008 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.863 1.022 -1.555 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.794 1.479 -2.902 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.756 -0.015 -2.996 1.00 0.00 H new ATOM 963 N ASN A 78 7.731 3.676 -5.979 1.00 0.00 N ATOM 964 CA ASN A 78 8.806 4.434 -6.609 1.00 0.00 C ATOM 965 C ASN A 78 9.461 3.622 -7.721 1.00 0.00 C ATOM 966 O ASN A 78 10.643 3.800 -8.021 1.00 0.00 O ATOM 967 CB ASN A 78 9.852 4.839 -5.570 1.00 0.00 C ATOM 968 CG ASN A 78 9.437 6.065 -4.781 1.00 0.00 C ATOM 969 OD1 ASN A 78 9.162 5.983 -3.583 1.00 0.00 O ATOM 970 ND2 ASN A 78 9.390 7.212 -5.449 1.00 0.00 N ATOM 0 H ASN A 78 6.822 4.138 -5.998 1.00 0.00 H new ATOM 0 HA ASN A 78 8.375 5.335 -7.046 1.00 0.00 H new ATOM 0 HB2 ASN A 78 10.020 4.008 -4.884 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.800 5.036 -6.070 1.00 0.00 H new ATOM 0 HD21 ASN A 78 9.118 8.070 -4.970 1.00 0.00 H new ATOM 0 HD22 ASN A 78 9.626 7.234 -6.441 1.00 0.00 H new ATOM 977 N GLY A 79 8.685 2.732 -8.331 1.00 0.00 N ATOM 978 CA GLY A 79 9.204 1.904 -9.404 1.00 0.00 C ATOM 979 C GLY A 79 9.852 0.625 -8.901 1.00 0.00 C ATOM 980 O GLY A 79 10.489 -0.095 -9.670 1.00 0.00 O ATOM 0 H GLY A 79 7.705 2.569 -8.101 1.00 0.00 H new ATOM 0 HA2 GLY A 79 8.392 1.651 -10.086 1.00 0.00 H new ATOM 0 HA3 GLY A 79 9.935 2.475 -9.976 1.00 0.00 H new ATOM 984 N VAL A 80 9.690 0.339 -7.612 1.00 0.00 N ATOM 985 CA VAL A 80 10.265 -0.861 -7.020 1.00 0.00 C ATOM 986 C VAL A 80 9.189 -1.889 -6.695 1.00 0.00 C ATOM 987 O VAL A 80 8.308 -1.641 -5.873 1.00 0.00 O ATOM 988 CB VAL A 80 11.053 -0.535 -5.735 1.00 0.00 C ATOM 989 CG1 VAL A 80 11.516 -1.812 -5.042 1.00 0.00 C ATOM 990 CG2 VAL A 80 12.238 0.362 -6.051 1.00 0.00 C ATOM 0 H VAL A 80 9.166 0.922 -6.960 1.00 0.00 H new ATOM 0 HA VAL A 80 10.948 -1.278 -7.760 1.00 0.00 H new ATOM 0 HB VAL A 80 10.389 -0.003 -5.054 1.00 0.00 H new ATOM 0 HG11 VAL A 80 12.069 -1.556 -4.139 1.00 0.00 H new ATOM 0 HG12 VAL A 80 10.649 -2.417 -4.777 1.00 0.00 H new ATOM 0 HG13 VAL A 80 12.161 -2.377 -5.714 1.00 0.00 H new ATOM 0 HG21 VAL A 80 12.783 0.582 -5.133 1.00 0.00 H new ATOM 0 HG22 VAL A 80 12.900 -0.144 -6.754 1.00 0.00 H new ATOM 0 HG23 VAL A 80 11.882 1.292 -6.494 1.00 0.00 H new ATOM 1000 N ASP A 81 9.280 -3.051 -7.330 1.00 0.00 N ATOM 1001 CA ASP A 81 8.325 -4.122 -7.090 1.00 0.00 C ATOM 1002 C ASP A 81 8.455 -4.625 -5.660 1.00 0.00 C ATOM 1003 O ASP A 81 9.507 -5.123 -5.260 1.00 0.00 O ATOM 1004 CB ASP A 81 8.553 -5.270 -8.074 1.00 0.00 C ATOM 1005 CG ASP A 81 7.947 -4.994 -9.437 1.00 0.00 C ATOM 1006 OD1 ASP A 81 7.847 -3.806 -9.811 1.00 0.00 O ATOM 1007 OD2 ASP A 81 7.573 -5.964 -10.129 1.00 0.00 O ATOM 0 H ASP A 81 10.004 -3.274 -8.013 1.00 0.00 H new ATOM 0 HA ASP A 81 7.318 -3.732 -7.239 1.00 0.00 H new ATOM 0 HB2 ASP A 81 9.624 -5.443 -8.184 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.122 -6.185 -7.667 1.00 0.00 H new ATOM 1012 N LEU A 82 7.382 -4.488 -4.888 1.00 0.00 N ATOM 1013 CA LEU A 82 7.384 -4.925 -3.498 1.00 0.00 C ATOM 1014 C LEU A 82 7.073 -6.415 -3.386 1.00 0.00 C ATOM 1015 O LEU A 82 6.699 -6.899 -2.316 1.00 0.00 O ATOM 1016 CB LEU A 82 6.366 -4.123 -2.685 1.00 0.00 C ATOM 1017 CG LEU A 82 6.238 -2.646 -3.072 1.00 0.00 C ATOM 1018 CD1 LEU A 82 4.781 -2.280 -3.307 1.00 0.00 C ATOM 1019 CD2 LEU A 82 6.847 -1.754 -1.999 1.00 0.00 C ATOM 0 H LEU A 82 6.502 -4.079 -5.201 1.00 0.00 H new ATOM 0 HA LEU A 82 8.383 -4.751 -3.097 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.389 -4.595 -2.789 1.00 0.00 H new ATOM 0 HB3 LEU A 82 6.638 -4.183 -1.631 1.00 0.00 H new ATOM 0 HG LEU A 82 6.787 -2.487 -4.000 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.710 -1.227 -3.581 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.377 -2.893 -4.113 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.210 -2.457 -2.396 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.746 -0.709 -2.294 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.329 -1.916 -1.054 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.903 -1.997 -1.880 1.00 0.00 H new ATOM 1031 N ALA A 83 7.232 -7.141 -4.488 1.00 0.00 N ATOM 1032 CA ALA A 83 6.968 -8.574 -4.495 1.00 0.00 C ATOM 1033 C ALA A 83 8.165 -9.346 -3.954 1.00 0.00 C ATOM 1034 O ALA A 83 9.022 -9.799 -4.715 1.00 0.00 O ATOM 1035 CB ALA A 83 6.619 -9.044 -5.897 1.00 0.00 C ATOM 0 H ALA A 83 7.541 -6.762 -5.383 1.00 0.00 H new ATOM 0 HA ALA A 83 6.116 -8.768 -3.844 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.425 -10.117 -5.883 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.730 -8.519 -6.246 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.451 -8.834 -6.569 1.00 0.00 H new ATOM 1041 N GLY A 84 8.220 -9.489 -2.634 1.00 0.00 N ATOM 1042 CA GLY A 84 9.318 -10.203 -2.008 1.00 0.00 C ATOM 1043 C GLY A 84 10.107 -9.334 -1.045 1.00 0.00 C ATOM 1044 O GLY A 84 11.229 -9.677 -0.670 1.00 0.00 O ATOM 0 H GLY A 84 7.523 -9.123 -1.986 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.926 -11.068 -1.473 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.987 -10.582 -2.780 1.00 0.00 H new ATOM 1048 N LYS A 85 9.525 -8.206 -0.644 1.00 0.00 N ATOM 1049 CA LYS A 85 10.186 -7.294 0.279 1.00 0.00 C ATOM 1050 C LYS A 85 9.698 -7.512 1.714 1.00 0.00 C ATOM 1051 O LYS A 85 10.171 -8.417 2.401 1.00 0.00 O ATOM 1052 CB LYS A 85 9.959 -5.843 -0.159 1.00 0.00 C ATOM 1053 CG LYS A 85 10.684 -5.478 -1.444 1.00 0.00 C ATOM 1054 CD LYS A 85 10.936 -3.983 -1.535 1.00 0.00 C ATOM 1055 CE LYS A 85 12.186 -3.679 -2.346 1.00 0.00 C ATOM 1056 NZ LYS A 85 13.414 -3.710 -1.504 1.00 0.00 N ATOM 0 H LYS A 85 8.598 -7.904 -0.945 1.00 0.00 H new ATOM 0 HA LYS A 85 11.256 -7.501 0.259 1.00 0.00 H new ATOM 0 HB2 LYS A 85 8.890 -5.675 -0.294 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.289 -5.176 0.637 1.00 0.00 H new ATOM 0 HG2 LYS A 85 11.633 -6.012 -1.492 1.00 0.00 H new ATOM 0 HG3 LYS A 85 10.093 -5.801 -2.301 1.00 0.00 H new ATOM 0 HD2 LYS A 85 10.076 -3.495 -1.993 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.041 -3.569 -0.532 1.00 0.00 H new ATOM 0 HE2 LYS A 85 12.281 -4.405 -3.153 1.00 0.00 H new ATOM 0 HE3 LYS A 85 12.088 -2.697 -2.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 14.244 -3.498 -2.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 13.335 -3.000 -0.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 13.521 -4.654 -1.081 1.00 0.00 H new ATOM 1070 N SER A 86 8.751 -6.685 2.164 1.00 0.00 N ATOM 1071 CA SER A 86 8.207 -6.794 3.516 1.00 0.00 C ATOM 1072 C SER A 86 7.395 -5.552 3.868 1.00 0.00 C ATOM 1073 O SER A 86 7.450 -4.546 3.162 1.00 0.00 O ATOM 1074 CB SER A 86 9.330 -6.988 4.542 1.00 0.00 C ATOM 1075 OG SER A 86 9.253 -8.267 5.148 1.00 0.00 O ATOM 0 H SER A 86 8.346 -5.931 1.609 1.00 0.00 H new ATOM 0 HA SER A 86 7.553 -7.666 3.545 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.297 -6.872 4.053 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.265 -6.215 5.308 1.00 0.00 H new ATOM 0 HG SER A 86 9.544 -8.950 4.508 1.00 0.00 H new ATOM 1081 N GLN A 87 6.652 -5.622 4.965 1.00 0.00 N ATOM 1082 CA GLN A 87 5.842 -4.493 5.407 1.00 0.00 C ATOM 1083 C GLN A 87 6.746 -3.366 5.870 1.00 0.00 C ATOM 1084 O GLN A 87 6.653 -2.242 5.381 1.00 0.00 O ATOM 1085 CB GLN A 87 4.898 -4.911 6.536 1.00 0.00 C ATOM 1086 CG GLN A 87 4.068 -3.765 7.097 1.00 0.00 C ATOM 1087 CD GLN A 87 2.664 -3.724 6.524 1.00 0.00 C ATOM 1088 OE1 GLN A 87 1.708 -4.162 7.163 1.00 0.00 O ATOM 1089 NE2 GLN A 87 2.536 -3.196 5.313 1.00 0.00 N ATOM 0 H GLN A 87 6.593 -6.446 5.564 1.00 0.00 H new ATOM 0 HA GLN A 87 5.237 -4.148 4.569 1.00 0.00 H new ATOM 0 HB2 GLN A 87 4.227 -5.687 6.168 1.00 0.00 H new ATOM 0 HB3 GLN A 87 5.484 -5.352 7.342 1.00 0.00 H new ATOM 0 HG2 GLN A 87 4.011 -3.860 8.181 1.00 0.00 H new ATOM 0 HG3 GLN A 87 4.570 -2.821 6.886 1.00 0.00 H new ATOM 0 HE21 GLN A 87 3.357 -2.845 4.820 1.00 0.00 H new ATOM 0 HE22 GLN A 87 1.616 -3.141 4.875 1.00 0.00 H new ATOM 1098 N GLU A 88 7.633 -3.681 6.798 1.00 0.00 N ATOM 1099 CA GLU A 88 8.572 -2.697 7.308 1.00 0.00 C ATOM 1100 C GLU A 88 9.492 -2.244 6.187 1.00 0.00 C ATOM 1101 O GLU A 88 9.942 -1.098 6.160 1.00 0.00 O ATOM 1102 CB GLU A 88 9.387 -3.276 8.466 1.00 0.00 C ATOM 1103 CG GLU A 88 8.776 -3.014 9.832 1.00 0.00 C ATOM 1104 CD GLU A 88 9.630 -3.550 10.964 1.00 0.00 C ATOM 1105 OE1 GLU A 88 10.067 -4.717 10.875 1.00 0.00 O ATOM 1106 OE2 GLU A 88 9.862 -2.805 11.938 1.00 0.00 O ATOM 0 H GLU A 88 7.723 -4.608 7.213 1.00 0.00 H new ATOM 0 HA GLU A 88 8.015 -1.839 7.684 1.00 0.00 H new ATOM 0 HB2 GLU A 88 9.490 -4.352 8.324 1.00 0.00 H new ATOM 0 HB3 GLU A 88 10.391 -2.853 8.439 1.00 0.00 H new ATOM 0 HG2 GLU A 88 8.636 -1.941 9.964 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.788 -3.472 9.878 1.00 0.00 H new ATOM 1113 N GLU A 89 9.753 -3.149 5.247 1.00 0.00 N ATOM 1114 CA GLU A 89 10.599 -2.830 4.108 1.00 0.00 C ATOM 1115 C GLU A 89 9.872 -1.858 3.193 1.00 0.00 C ATOM 1116 O GLU A 89 10.391 -0.797 2.852 1.00 0.00 O ATOM 1117 CB GLU A 89 10.967 -4.100 3.339 1.00 0.00 C ATOM 1118 CG GLU A 89 12.102 -4.887 3.974 1.00 0.00 C ATOM 1119 CD GLU A 89 13.466 -4.430 3.497 1.00 0.00 C ATOM 1120 OE1 GLU A 89 13.955 -4.978 2.486 1.00 0.00 O ATOM 1121 OE2 GLU A 89 14.046 -3.525 4.132 1.00 0.00 O ATOM 0 H GLU A 89 9.392 -4.103 5.254 1.00 0.00 H new ATOM 0 HA GLU A 89 11.519 -2.370 4.469 1.00 0.00 H new ATOM 0 HB2 GLU A 89 10.087 -4.740 3.268 1.00 0.00 H new ATOM 0 HB3 GLU A 89 11.248 -3.830 2.321 1.00 0.00 H new ATOM 0 HG2 GLU A 89 12.047 -4.786 5.058 1.00 0.00 H new ATOM 0 HG3 GLU A 89 11.977 -5.946 3.746 1.00 0.00 H new ATOM 1128 N VAL A 90 8.651 -2.228 2.824 1.00 0.00 N ATOM 1129 CA VAL A 90 7.820 -1.394 1.965 1.00 0.00 C ATOM 1130 C VAL A 90 7.597 -0.027 2.602 1.00 0.00 C ATOM 1131 O VAL A 90 7.789 1.014 1.967 1.00 0.00 O ATOM 1132 CB VAL A 90 6.456 -2.066 1.692 1.00 0.00 C ATOM 1133 CG1 VAL A 90 5.511 -1.109 0.980 1.00 0.00 C ATOM 1134 CG2 VAL A 90 6.639 -3.340 0.881 1.00 0.00 C ATOM 0 H VAL A 90 8.213 -3.104 3.108 1.00 0.00 H new ATOM 0 HA VAL A 90 8.344 -1.268 1.017 1.00 0.00 H new ATOM 0 HB VAL A 90 6.011 -2.330 2.652 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.558 -1.606 0.799 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.349 -0.228 1.601 1.00 0.00 H new ATOM 0 HG13 VAL A 90 5.948 -0.806 0.029 1.00 0.00 H new ATOM 0 HG21 VAL A 90 5.667 -3.798 0.699 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.111 -3.100 -0.072 1.00 0.00 H new ATOM 0 HG23 VAL A 90 7.270 -4.036 1.434 1.00 0.00 H new ATOM 1144 N VAL A 91 7.201 -0.040 3.869 1.00 0.00 N ATOM 1145 CA VAL A 91 6.962 1.189 4.604 1.00 0.00 C ATOM 1146 C VAL A 91 8.246 1.998 4.713 1.00 0.00 C ATOM 1147 O VAL A 91 8.220 3.227 4.726 1.00 0.00 O ATOM 1148 CB VAL A 91 6.409 0.905 6.015 1.00 0.00 C ATOM 1149 CG1 VAL A 91 6.030 2.200 6.714 1.00 0.00 C ATOM 1150 CG2 VAL A 91 5.214 -0.037 5.940 1.00 0.00 C ATOM 0 H VAL A 91 7.039 -0.891 4.407 1.00 0.00 H new ATOM 0 HA VAL A 91 6.216 1.762 4.053 1.00 0.00 H new ATOM 0 HB VAL A 91 7.191 0.421 6.599 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.642 1.977 7.708 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.910 2.837 6.802 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.265 2.716 6.134 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.836 -0.227 6.945 1.00 0.00 H new ATOM 0 HG22 VAL A 91 4.429 0.419 5.337 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.521 -0.978 5.484 1.00 0.00 H new ATOM 1160 N SER A 92 9.374 1.298 4.784 1.00 0.00 N ATOM 1161 CA SER A 92 10.673 1.950 4.882 1.00 0.00 C ATOM 1162 C SER A 92 10.959 2.769 3.628 1.00 0.00 C ATOM 1163 O SER A 92 11.544 3.849 3.701 1.00 0.00 O ATOM 1164 CB SER A 92 11.779 0.913 5.094 1.00 0.00 C ATOM 1165 OG SER A 92 13.052 1.531 5.161 1.00 0.00 O ATOM 0 H SER A 92 9.413 0.279 4.775 1.00 0.00 H new ATOM 0 HA SER A 92 10.652 2.622 5.740 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.591 0.360 6.014 1.00 0.00 H new ATOM 0 HB3 SER A 92 11.765 0.190 4.279 1.00 0.00 H new ATOM 0 HG SER A 92 13.741 0.847 5.298 1.00 0.00 H new ATOM 1171 N LEU A 93 10.540 2.250 2.475 1.00 0.00 N ATOM 1172 CA LEU A 93 10.753 2.949 1.209 1.00 0.00 C ATOM 1173 C LEU A 93 9.940 4.233 1.168 1.00 0.00 C ATOM 1174 O LEU A 93 10.472 5.310 0.897 1.00 0.00 O ATOM 1175 CB LEU A 93 10.371 2.071 0.015 1.00 0.00 C ATOM 1176 CG LEU A 93 10.649 0.582 0.188 1.00 0.00 C ATOM 1177 CD1 LEU A 93 10.121 -0.202 -1.004 1.00 0.00 C ATOM 1178 CD2 LEU A 93 12.139 0.336 0.376 1.00 0.00 C ATOM 0 H LEU A 93 10.056 1.356 2.391 1.00 0.00 H new ATOM 0 HA LEU A 93 11.815 3.186 1.142 1.00 0.00 H new ATOM 0 HB2 LEU A 93 9.308 2.205 -0.188 1.00 0.00 H new ATOM 0 HB3 LEU A 93 10.911 2.425 -0.863 1.00 0.00 H new ATOM 0 HG LEU A 93 10.130 0.236 1.082 1.00 0.00 H new ATOM 0 HD11 LEU A 93 10.329 -1.263 -0.863 1.00 0.00 H new ATOM 0 HD12 LEU A 93 9.045 -0.051 -1.091 1.00 0.00 H new ATOM 0 HD13 LEU A 93 10.611 0.145 -1.914 1.00 0.00 H new ATOM 0 HD21 LEU A 93 12.319 -0.732 0.498 1.00 0.00 H new ATOM 0 HD22 LEU A 93 12.681 0.698 -0.498 1.00 0.00 H new ATOM 0 HD23 LEU A 93 12.486 0.866 1.263 1.00 0.00 H new ATOM 1190 N LEU A 94 8.644 4.111 1.434 1.00 0.00 N ATOM 1191 CA LEU A 94 7.757 5.269 1.422 1.00 0.00 C ATOM 1192 C LEU A 94 8.120 6.245 2.540 1.00 0.00 C ATOM 1193 O LEU A 94 7.959 7.456 2.393 1.00 0.00 O ATOM 1194 CB LEU A 94 6.294 4.828 1.544 1.00 0.00 C ATOM 1195 CG LEU A 94 5.853 4.389 2.939 1.00 0.00 C ATOM 1196 CD1 LEU A 94 5.471 5.595 3.781 1.00 0.00 C ATOM 1197 CD2 LEU A 94 4.691 3.412 2.842 1.00 0.00 C ATOM 0 H LEU A 94 8.186 3.228 1.659 1.00 0.00 H new ATOM 0 HA LEU A 94 7.883 5.784 0.469 1.00 0.00 H new ATOM 0 HB2 LEU A 94 5.657 5.652 1.223 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.122 4.004 0.852 1.00 0.00 H new ATOM 0 HG LEU A 94 6.688 3.885 3.425 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.159 5.263 4.771 1.00 0.00 H new ATOM 0 HD12 LEU A 94 6.329 6.260 3.874 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.650 6.128 3.302 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.387 3.108 3.844 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.852 3.893 2.339 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.000 2.534 2.274 1.00 0.00 H new ATOM 1209 N ARG A 95 8.618 5.716 3.656 1.00 0.00 N ATOM 1210 CA ARG A 95 9.013 6.555 4.783 1.00 0.00 C ATOM 1211 C ARG A 95 10.292 7.323 4.463 1.00 0.00 C ATOM 1212 O ARG A 95 10.503 8.431 4.957 1.00 0.00 O ATOM 1213 CB ARG A 95 9.215 5.712 6.046 1.00 0.00 C ATOM 1214 CG ARG A 95 8.061 5.805 7.030 1.00 0.00 C ATOM 1215 CD ARG A 95 7.769 4.463 7.680 1.00 0.00 C ATOM 1216 NE ARG A 95 8.353 4.360 9.017 1.00 0.00 N ATOM 1217 CZ ARG A 95 7.793 4.869 10.112 1.00 0.00 C ATOM 1218 NH1 ARG A 95 6.643 5.526 10.035 1.00 0.00 N ATOM 1219 NH2 ARG A 95 8.386 4.722 11.290 1.00 0.00 N ATOM 0 H ARG A 95 8.757 4.716 3.803 1.00 0.00 H new ATOM 0 HA ARG A 95 8.210 7.269 4.964 1.00 0.00 H new ATOM 0 HB2 ARG A 95 9.354 4.670 5.759 1.00 0.00 H new ATOM 0 HB3 ARG A 95 10.132 6.030 6.543 1.00 0.00 H new ATOM 0 HG2 ARG A 95 8.298 6.539 7.800 1.00 0.00 H new ATOM 0 HG3 ARG A 95 7.170 6.161 6.513 1.00 0.00 H new ATOM 0 HD2 ARG A 95 6.690 4.319 7.744 1.00 0.00 H new ATOM 0 HD3 ARG A 95 8.161 3.663 7.051 1.00 0.00 H new ATOM 0 HE ARG A 95 9.242 3.869 9.116 1.00 0.00 H new ATOM 0 HH11 ARG A 95 6.182 5.644 9.133 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.220 5.913 10.878 1.00 0.00 H new ATOM 0 HH21 ARG A 95 9.271 4.219 11.356 1.00 0.00 H new ATOM 0 HH22 ARG A 95 7.957 5.112 12.129 1.00 0.00 H new ATOM 1233 N SER A 96 11.145 6.725 3.636 1.00 0.00 N ATOM 1234 CA SER A 96 12.406 7.349 3.252 1.00 0.00 C ATOM 1235 C SER A 96 12.163 8.691 2.576 1.00 0.00 C ATOM 1236 O SER A 96 12.941 9.632 2.741 1.00 0.00 O ATOM 1237 CB SER A 96 13.190 6.427 2.315 1.00 0.00 C ATOM 1238 OG SER A 96 14.580 6.493 2.582 1.00 0.00 O ATOM 0 H SER A 96 10.985 5.808 3.219 1.00 0.00 H new ATOM 0 HA SER A 96 12.990 7.519 4.157 1.00 0.00 H new ATOM 0 HB2 SER A 96 12.842 5.401 2.434 1.00 0.00 H new ATOM 0 HB3 SER A 96 13.001 6.710 1.279 1.00 0.00 H new ATOM 0 HG SER A 96 15.059 5.894 1.972 1.00 0.00 H new ATOM 1244 N THR A 97 11.076 8.775 1.818 1.00 0.00 N ATOM 1245 CA THR A 97 10.728 10.005 1.119 1.00 0.00 C ATOM 1246 C THR A 97 10.538 11.151 2.106 1.00 0.00 C ATOM 1247 O THR A 97 9.840 11.009 3.109 1.00 0.00 O ATOM 1248 CB THR A 97 9.453 9.809 0.293 1.00 0.00 C ATOM 1249 OG1 THR A 97 8.941 8.499 0.458 1.00 0.00 O ATOM 1250 CG2 THR A 97 9.655 10.031 -1.189 1.00 0.00 C ATOM 0 H THR A 97 10.421 8.007 1.672 1.00 0.00 H new ATOM 0 HA THR A 97 11.549 10.257 0.447 1.00 0.00 H new ATOM 0 HB THR A 97 8.756 10.559 0.667 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.642 8.379 1.383 1.00 0.00 H new ATOM 0 HG21 THR A 97 8.711 9.875 -1.712 1.00 0.00 H new ATOM 0 HG22 THR A 97 10.001 11.050 -1.360 1.00 0.00 H new ATOM 0 HG23 THR A 97 10.398 9.327 -1.564 1.00 0.00 H new ATOM 1258 N LYS A 98 11.161 12.284 1.812 1.00 0.00 N ATOM 1259 CA LYS A 98 11.060 13.457 2.671 1.00 0.00 C ATOM 1260 C LYS A 98 10.136 14.497 2.048 1.00 0.00 C ATOM 1261 O LYS A 98 9.550 14.264 0.992 1.00 0.00 O ATOM 1262 CB LYS A 98 12.444 14.063 2.911 1.00 0.00 C ATOM 1263 CG LYS A 98 13.441 13.082 3.506 1.00 0.00 C ATOM 1264 CD LYS A 98 14.641 12.877 2.594 1.00 0.00 C ATOM 1265 CE LYS A 98 15.940 12.833 3.383 1.00 0.00 C ATOM 1266 NZ LYS A 98 17.128 13.069 2.514 1.00 0.00 N ATOM 0 H LYS A 98 11.742 12.416 0.984 1.00 0.00 H new ATOM 0 HA LYS A 98 10.642 13.146 3.628 1.00 0.00 H new ATOM 0 HB2 LYS A 98 12.836 14.439 1.966 1.00 0.00 H new ATOM 0 HB3 LYS A 98 12.346 14.919 3.579 1.00 0.00 H new ATOM 0 HG2 LYS A 98 13.779 13.449 4.475 1.00 0.00 H new ATOM 0 HG3 LYS A 98 12.950 12.125 3.681 1.00 0.00 H new ATOM 0 HD2 LYS A 98 14.521 11.948 2.037 1.00 0.00 H new ATOM 0 HD3 LYS A 98 14.686 13.684 1.863 1.00 0.00 H new ATOM 0 HE2 LYS A 98 15.912 13.586 4.171 1.00 0.00 H new ATOM 0 HE3 LYS A 98 16.035 11.863 3.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 17.993 13.031 3.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 17.170 12.336 1.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 17.051 14.005 2.067 1.00 0.00 H new ATOM 1280 N MET A 99 10.012 15.647 2.704 1.00 0.00 N ATOM 1281 CA MET A 99 9.160 16.720 2.204 1.00 0.00 C ATOM 1282 C MET A 99 9.472 17.013 0.739 1.00 0.00 C ATOM 1283 O MET A 99 10.627 16.968 0.320 1.00 0.00 O ATOM 1284 CB MET A 99 9.346 17.985 3.043 1.00 0.00 C ATOM 1285 CG MET A 99 8.477 18.019 4.290 1.00 0.00 C ATOM 1286 SD MET A 99 9.341 17.419 5.756 1.00 0.00 S ATOM 1287 CE MET A 99 9.008 15.663 5.651 1.00 0.00 C ATOM 0 H MET A 99 10.489 15.859 3.580 1.00 0.00 H new ATOM 0 HA MET A 99 8.122 16.397 2.282 1.00 0.00 H new ATOM 0 HB2 MET A 99 10.393 18.066 3.337 1.00 0.00 H new ATOM 0 HB3 MET A 99 9.119 18.856 2.428 1.00 0.00 H new ATOM 0 HG2 MET A 99 8.139 19.040 4.465 1.00 0.00 H new ATOM 0 HG3 MET A 99 7.587 17.413 4.124 1.00 0.00 H new ATOM 0 HE1 MET A 99 8.549 15.324 6.580 1.00 0.00 H new ATOM 0 HE2 MET A 99 8.330 15.470 4.819 1.00 0.00 H new ATOM 0 HE3 MET A 99 9.942 15.125 5.490 1.00 0.00 H new ATOM 1297 N GLU A 100 8.434 17.302 -0.041 1.00 0.00 N ATOM 1298 CA GLU A 100 8.608 17.586 -1.462 1.00 0.00 C ATOM 1299 C GLU A 100 9.201 16.376 -2.174 1.00 0.00 C ATOM 1300 O GLU A 100 10.408 16.305 -2.403 1.00 0.00 O ATOM 1301 CB GLU A 100 9.511 18.807 -1.658 1.00 0.00 C ATOM 1302 CG GLU A 100 9.145 19.641 -2.874 1.00 0.00 C ATOM 1303 CD GLU A 100 10.347 20.335 -3.489 1.00 0.00 C ATOM 1304 OE1 GLU A 100 10.834 21.317 -2.892 1.00 0.00 O ATOM 1305 OE2 GLU A 100 10.798 19.893 -4.567 1.00 0.00 O ATOM 0 H GLU A 100 7.468 17.346 0.285 1.00 0.00 H new ATOM 0 HA GLU A 100 7.630 17.803 -1.892 1.00 0.00 H new ATOM 0 HB2 GLU A 100 9.459 19.434 -0.768 1.00 0.00 H new ATOM 0 HB3 GLU A 100 10.544 18.474 -1.753 1.00 0.00 H new ATOM 0 HG2 GLU A 100 8.678 19.000 -3.622 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.405 20.389 -2.588 1.00 0.00 H new ATOM 1312 N GLY A 101 8.341 15.425 -2.514 1.00 0.00 N ATOM 1313 CA GLY A 101 8.782 14.224 -3.188 1.00 0.00 C ATOM 1314 C GLY A 101 7.619 13.339 -3.580 1.00 0.00 C ATOM 1315 O GLY A 101 7.032 12.660 -2.736 1.00 0.00 O ATOM 0 H GLY A 101 7.338 15.467 -2.332 1.00 0.00 H new ATOM 0 HA2 GLY A 101 9.349 14.495 -4.079 1.00 0.00 H new ATOM 0 HA3 GLY A 101 9.457 13.669 -2.537 1.00 0.00 H new ATOM 1319 N THR A 102 7.276 13.361 -4.858 1.00 0.00 N ATOM 1320 CA THR A 102 6.164 12.569 -5.364 1.00 0.00 C ATOM 1321 C THR A 102 6.503 11.082 -5.372 1.00 0.00 C ATOM 1322 O THR A 102 7.350 10.630 -6.142 1.00 0.00 O ATOM 1323 CB THR A 102 5.790 13.020 -6.777 1.00 0.00 C ATOM 1324 OG1 THR A 102 6.140 14.376 -6.979 1.00 0.00 O ATOM 1325 CG2 THR A 102 4.315 12.876 -7.081 1.00 0.00 C ATOM 0 H THR A 102 7.752 13.920 -5.566 1.00 0.00 H new ATOM 0 HA THR A 102 5.315 12.725 -4.698 1.00 0.00 H new ATOM 0 HB THR A 102 6.347 12.364 -7.446 1.00 0.00 H new ATOM 0 HG1 THR A 102 5.895 14.645 -7.889 1.00 0.00 H new ATOM 0 HG21 THR A 102 4.119 13.213 -8.099 1.00 0.00 H new ATOM 0 HG22 THR A 102 4.024 11.830 -6.983 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.738 13.480 -6.381 1.00 0.00 H new ATOM 1333 N VAL A 103 5.825 10.326 -4.515 1.00 0.00 N ATOM 1334 CA VAL A 103 6.037 8.889 -4.425 1.00 0.00 C ATOM 1335 C VAL A 103 5.022 8.154 -5.297 1.00 0.00 C ATOM 1336 O VAL A 103 3.822 8.180 -5.024 1.00 0.00 O ATOM 1337 CB VAL A 103 5.931 8.398 -2.960 1.00 0.00 C ATOM 1338 CG1 VAL A 103 5.707 6.891 -2.890 1.00 0.00 C ATOM 1339 CG2 VAL A 103 7.174 8.787 -2.177 1.00 0.00 C ATOM 0 H VAL A 103 5.122 10.688 -3.871 1.00 0.00 H new ATOM 0 HA VAL A 103 7.043 8.673 -4.783 1.00 0.00 H new ATOM 0 HB VAL A 103 5.065 8.884 -2.510 1.00 0.00 H new ATOM 0 HG11 VAL A 103 5.637 6.582 -1.847 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.782 6.636 -3.407 1.00 0.00 H new ATOM 0 HG13 VAL A 103 6.542 6.377 -3.366 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.082 8.434 -1.150 1.00 0.00 H new ATOM 0 HG22 VAL A 103 8.051 8.335 -2.639 1.00 0.00 H new ATOM 0 HG23 VAL A 103 7.281 9.872 -2.180 1.00 0.00 H new ATOM 1349 N SER A 104 5.511 7.507 -6.351 1.00 0.00 N ATOM 1350 CA SER A 104 4.643 6.776 -7.264 1.00 0.00 C ATOM 1351 C SER A 104 4.368 5.373 -6.742 1.00 0.00 C ATOM 1352 O SER A 104 5.269 4.539 -6.672 1.00 0.00 O ATOM 1353 CB SER A 104 5.279 6.700 -8.653 1.00 0.00 C ATOM 1354 OG SER A 104 6.081 7.839 -8.910 1.00 0.00 O ATOM 0 H SER A 104 6.502 7.475 -6.592 1.00 0.00 H new ATOM 0 HA SER A 104 3.696 7.311 -7.334 1.00 0.00 H new ATOM 0 HB2 SER A 104 5.887 5.799 -8.729 1.00 0.00 H new ATOM 0 HB3 SER A 104 4.499 6.623 -9.410 1.00 0.00 H new ATOM 0 HG SER A 104 6.477 7.765 -9.803 1.00 0.00 H new ATOM 1360 N LEU A 105 3.120 5.122 -6.365 1.00 0.00 N ATOM 1361 CA LEU A 105 2.731 3.822 -5.840 1.00 0.00 C ATOM 1362 C LEU A 105 1.746 3.121 -6.766 1.00 0.00 C ATOM 1363 O LEU A 105 0.588 3.524 -6.879 1.00 0.00 O ATOM 1364 CB LEU A 105 2.111 3.978 -4.451 1.00 0.00 C ATOM 1365 CG LEU A 105 2.856 4.932 -3.514 1.00 0.00 C ATOM 1366 CD1 LEU A 105 2.065 6.216 -3.318 1.00 0.00 C ATOM 1367 CD2 LEU A 105 3.129 4.261 -2.176 1.00 0.00 C ATOM 0 H LEU A 105 2.361 5.802 -6.414 1.00 0.00 H new ATOM 0 HA LEU A 105 3.630 3.209 -5.771 1.00 0.00 H new ATOM 0 HB2 LEU A 105 1.086 4.331 -4.565 1.00 0.00 H new ATOM 0 HB3 LEU A 105 2.060 2.996 -3.980 1.00 0.00 H new ATOM 0 HG LEU A 105 3.812 5.186 -3.972 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.611 6.881 -2.649 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.923 6.707 -4.281 1.00 0.00 H new ATOM 0 HD13 LEU A 105 1.093 5.982 -2.883 1.00 0.00 H new ATOM 0 HD21 LEU A 105 3.659 4.954 -1.523 1.00 0.00 H new ATOM 0 HD22 LEU A 105 2.185 3.976 -1.712 1.00 0.00 H new ATOM 0 HD23 LEU A 105 3.739 3.371 -2.333 1.00 0.00 H new ATOM 1379 N LEU A 106 2.210 2.062 -7.418 1.00 0.00 N ATOM 1380 CA LEU A 106 1.363 1.295 -8.320 1.00 0.00 C ATOM 1381 C LEU A 106 0.491 0.334 -7.524 1.00 0.00 C ATOM 1382 O LEU A 106 0.994 -0.586 -6.883 1.00 0.00 O ATOM 1383 CB LEU A 106 2.213 0.517 -9.328 1.00 0.00 C ATOM 1384 CG LEU A 106 1.424 -0.163 -10.448 1.00 0.00 C ATOM 1385 CD1 LEU A 106 1.281 0.770 -11.641 1.00 0.00 C ATOM 1386 CD2 LEU A 106 2.099 -1.462 -10.863 1.00 0.00 C ATOM 0 H LEU A 106 3.166 1.716 -7.339 1.00 0.00 H new ATOM 0 HA LEU A 106 0.725 1.988 -8.868 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.935 1.200 -9.775 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.782 -0.242 -8.792 1.00 0.00 H new ATOM 0 HG LEU A 106 0.427 -0.398 -10.074 1.00 0.00 H new ATOM 0 HD11 LEU A 106 0.717 0.270 -12.428 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.754 1.674 -11.335 1.00 0.00 H new ATOM 0 HD13 LEU A 106 2.270 1.036 -12.016 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.524 -1.932 -11.661 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.107 -1.251 -11.219 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.150 -2.135 -10.007 1.00 0.00 H new ATOM 1398 N VAL A 107 -0.817 0.561 -7.555 1.00 0.00 N ATOM 1399 CA VAL A 107 -1.750 -0.281 -6.819 1.00 0.00 C ATOM 1400 C VAL A 107 -2.500 -1.228 -7.748 1.00 0.00 C ATOM 1401 O VAL A 107 -2.389 -1.137 -8.970 1.00 0.00 O ATOM 1402 CB VAL A 107 -2.768 0.573 -6.033 1.00 0.00 C ATOM 1403 CG1 VAL A 107 -2.047 1.579 -5.151 1.00 0.00 C ATOM 1404 CG2 VAL A 107 -3.727 1.279 -6.981 1.00 0.00 C ATOM 0 H VAL A 107 -1.254 1.319 -8.080 1.00 0.00 H new ATOM 0 HA VAL A 107 -1.159 -0.871 -6.118 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.351 -0.090 -5.394 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.779 2.173 -4.604 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.407 1.051 -4.444 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.437 2.236 -5.772 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.435 1.875 -6.405 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.164 1.930 -7.650 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.269 0.538 -7.568 1.00 0.00 H new ATOM 1414 N PHE A 108 -3.265 -2.138 -7.154 1.00 0.00 N ATOM 1415 CA PHE A 108 -4.040 -3.105 -7.919 1.00 0.00 C ATOM 1416 C PHE A 108 -5.363 -3.398 -7.223 1.00 0.00 C ATOM 1417 O PHE A 108 -5.393 -3.714 -6.034 1.00 0.00 O ATOM 1418 CB PHE A 108 -3.239 -4.397 -8.111 1.00 0.00 C ATOM 1419 CG PHE A 108 -4.022 -5.520 -8.738 1.00 0.00 C ATOM 1420 CD1 PHE A 108 -4.967 -6.221 -8.004 1.00 0.00 C ATOM 1421 CD2 PHE A 108 -3.808 -5.876 -10.061 1.00 0.00 C ATOM 1422 CE1 PHE A 108 -5.686 -7.253 -8.578 1.00 0.00 C ATOM 1423 CE2 PHE A 108 -4.523 -6.908 -10.638 1.00 0.00 C ATOM 1424 CZ PHE A 108 -5.462 -7.597 -9.896 1.00 0.00 C ATOM 0 H PHE A 108 -3.364 -2.225 -6.143 1.00 0.00 H new ATOM 0 HA PHE A 108 -4.253 -2.680 -8.900 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -2.370 -4.183 -8.733 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -2.864 -4.727 -7.142 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -5.143 -5.958 -6.972 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -3.075 -5.341 -10.646 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -6.421 -7.789 -7.996 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -4.347 -7.176 -11.669 1.00 0.00 H new ATOM 0 HZ PHE A 108 -6.021 -8.404 -10.346 1.00 0.00 H new ATOM 1434 N ARG A 109 -6.456 -3.290 -7.970 1.00 0.00 N ATOM 1435 CA ARG A 109 -7.781 -3.544 -7.421 1.00 0.00 C ATOM 1436 C ARG A 109 -8.541 -4.552 -8.278 1.00 0.00 C ATOM 1437 O ARG A 109 -8.416 -4.560 -9.502 1.00 0.00 O ATOM 1438 CB ARG A 109 -8.575 -2.239 -7.318 1.00 0.00 C ATOM 1439 CG ARG A 109 -8.751 -1.526 -8.649 1.00 0.00 C ATOM 1440 CD ARG A 109 -9.582 -0.262 -8.494 1.00 0.00 C ATOM 1441 NE ARG A 109 -9.017 0.648 -7.500 1.00 0.00 N ATOM 1442 CZ ARG A 109 -9.563 1.816 -7.169 1.00 0.00 C ATOM 1443 NH1 ARG A 109 -10.688 2.218 -7.749 1.00 0.00 N ATOM 1444 NH2 ARG A 109 -8.985 2.583 -6.256 1.00 0.00 N ATOM 0 H ARG A 109 -6.450 -3.029 -8.956 1.00 0.00 H new ATOM 0 HA ARG A 109 -7.658 -3.964 -6.422 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -9.558 -2.454 -6.898 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -8.070 -1.570 -6.621 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -7.774 -1.273 -9.060 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -9.233 -2.195 -9.361 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -9.649 0.248 -9.455 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -10.598 -0.530 -8.204 1.00 0.00 H new ATOM 0 HE ARG A 109 -8.154 0.372 -7.032 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -11.138 1.631 -8.452 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -11.102 3.114 -7.492 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -8.121 2.278 -5.807 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -9.404 3.478 -6.003 1.00 0.00 H new