USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 587 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 27 GLN : amide:sc= -0.425 K(o=-1.5,f=-4.7!) USER MOD Set 1.2: A 41 GLN : amide:sc= -1.12 K(o=-1.5,f=-6.5!) USER MOD Set 2.1: A 18 SER OG : rot -24:sc= 0.587 USER MOD Set 2.2: A 21 THR OG1 : rot -140:sc= 0.864 USER MOD Set 3.1: A 12 HIS : no HD1:sc= -0.301 X(o=-0.11,f=-0.13) USER MOD Set 3.2: A 34 THR OG1 : rot -33:sc= 0.193 USER MOD Set 4.1: A 6 LYS NZ :NH3+ -177:sc= 0.936 (180deg=0) USER MOD Set 4.2: A 11 THR OG1 : rot 36:sc= 1.01 USER MOD Single : A 1 TRP N :NH3+ -139:sc= 1.17 (180deg=0.7) USER MOD Single : A 5 CYS SG : rot 8:sc= -3.3! USER MOD Single : A 15 GLN : amide:sc= -0.484 X(o=-0.48,f=-0.011) USER MOD Single : A 19 SER OG : rot 180:sc=2.65e-05 USER MOD Single : A 29 GLN : amide:sc= -0.0358 X(o=-0.036,f=0.033) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.0427 USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0.00718 USER MOD Single : A 60 THR OG1 : rot -120:sc= 0.00107 USER MOD Single : A 67 GLN : amide:sc= 0.282 X(o=0.28,f=-0.015) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -145:sc= -2.63 (180deg=-5.74!) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 1.334 0.311 -0.171 1.00 0.00 N ATOM 2 CA TRP A 1 2.210 0.184 -1.362 1.00 0.00 C ATOM 3 C TRP A 1 3.665 -0.062 -0.924 1.00 0.00 C ATOM 4 O TRP A 1 4.277 0.789 -0.270 1.00 0.00 O ATOM 5 CB TRP A 1 2.130 1.458 -2.255 1.00 0.00 C ATOM 6 CG TRP A 1 0.825 1.672 -2.987 1.00 0.00 C ATOM 7 CD1 TRP A 1 -0.365 1.032 -2.791 1.00 0.00 C ATOM 8 CD2 TRP A 1 0.600 2.606 -4.053 1.00 0.00 C ATOM 9 NE1 TRP A 1 -1.303 1.502 -3.669 1.00 0.00 N ATOM 10 CE2 TRP A 1 -0.740 2.469 -4.449 1.00 0.00 C ATOM 11 CE3 TRP A 1 1.406 3.542 -4.706 1.00 0.00 C ATOM 12 CZ2 TRP A 1 -1.292 3.226 -5.472 1.00 0.00 C ATOM 13 CZ3 TRP A 1 0.855 4.302 -5.717 1.00 0.00 C ATOM 14 CH2 TRP A 1 -0.485 4.138 -6.093 1.00 0.00 C ATOM 0 H1 TRP A 1 0.440 -0.191 -0.343 1.00 0.00 H new ATOM 0 H2 TRP A 1 1.810 -0.103 0.656 1.00 0.00 H new ATOM 0 H3 TRP A 1 1.137 1.316 0.010 1.00 0.00 H new ATOM 0 HA TRP A 1 1.863 -0.666 -1.950 1.00 0.00 H new ATOM 0 HB2 TRP A 1 2.320 2.329 -1.628 1.00 0.00 H new ATOM 0 HB3 TRP A 1 2.933 1.413 -2.990 1.00 0.00 H new ATOM 0 HD1 TRP A 1 -0.540 0.266 -2.050 1.00 0.00 H new ATOM 0 HE1 TRP A 1 -2.269 1.181 -3.731 1.00 0.00 H new ATOM 0 HE3 TRP A 1 2.441 3.668 -4.425 1.00 0.00 H new ATOM 0 HZ2 TRP A 1 -2.323 3.099 -5.767 1.00 0.00 H new ATOM 0 HZ3 TRP A 1 1.465 5.034 -6.226 1.00 0.00 H new ATOM 0 HH2 TRP A 1 -0.889 4.745 -6.890 1.00 0.00 H new ATOM 27 N ARG A 2 4.194 -1.246 -1.262 1.00 0.00 N ATOM 28 CA ARG A 2 5.609 -1.587 -1.072 1.00 0.00 C ATOM 29 C ARG A 2 6.356 -1.257 -2.373 1.00 0.00 C ATOM 30 O ARG A 2 6.548 -2.123 -3.235 1.00 0.00 O ATOM 31 CB ARG A 2 5.755 -3.095 -0.713 1.00 0.00 C ATOM 32 CG ARG A 2 4.986 -3.534 0.549 1.00 0.00 C ATOM 33 CD ARG A 2 4.974 -5.064 0.739 1.00 0.00 C ATOM 34 NE ARG A 2 4.275 -5.769 -0.357 1.00 0.00 N ATOM 35 CZ ARG A 2 3.733 -7.002 -0.267 1.00 0.00 C ATOM 36 NH1 ARG A 2 3.751 -7.679 0.877 1.00 0.00 N ATOM 37 NH2 ARG A 2 3.157 -7.548 -1.322 1.00 0.00 N ATOM 0 H ARG A 2 3.647 -1.999 -1.678 1.00 0.00 H new ATOM 0 HA ARG A 2 6.033 -1.012 -0.249 1.00 0.00 H new ATOM 0 HB2 ARG A 2 5.410 -3.691 -1.558 1.00 0.00 H new ATOM 0 HB3 ARG A 2 6.812 -3.321 -0.575 1.00 0.00 H new ATOM 0 HG2 ARG A 2 5.437 -3.067 1.425 1.00 0.00 H new ATOM 0 HG3 ARG A 2 3.960 -3.172 0.488 1.00 0.00 H new ATOM 0 HD2 ARG A 2 6.000 -5.426 0.803 1.00 0.00 H new ATOM 0 HD3 ARG A 2 4.492 -5.305 1.686 1.00 0.00 H new ATOM 0 HE ARG A 2 4.196 -5.285 -1.252 1.00 0.00 H new ATOM 0 HH11 ARG A 2 4.179 -7.268 1.706 1.00 0.00 H new ATOM 0 HH12 ARG A 2 3.336 -8.610 0.925 1.00 0.00 H new ATOM 0 HH21 ARG A 2 3.122 -7.038 -2.205 1.00 0.00 H new ATOM 0 HH22 ARG A 2 2.747 -8.480 -1.254 1.00 0.00 H new ATOM 51 N VAL A 3 6.723 0.018 -2.540 1.00 0.00 N ATOM 52 CA VAL A 3 7.373 0.505 -3.775 1.00 0.00 C ATOM 53 C VAL A 3 8.895 0.519 -3.586 1.00 0.00 C ATOM 54 O VAL A 3 9.396 0.937 -2.532 1.00 0.00 O ATOM 55 CB VAL A 3 6.852 1.933 -4.167 1.00 0.00 C ATOM 56 CG1 VAL A 3 7.440 2.404 -5.515 1.00 0.00 C ATOM 57 CG2 VAL A 3 5.303 1.960 -4.180 1.00 0.00 C ATOM 0 H VAL A 3 6.582 0.740 -1.834 1.00 0.00 H new ATOM 0 HA VAL A 3 7.119 -0.173 -4.590 1.00 0.00 H new ATOM 0 HB VAL A 3 7.196 2.637 -3.410 1.00 0.00 H new ATOM 0 HG11 VAL A 3 7.056 3.396 -5.753 1.00 0.00 H new ATOM 0 HG12 VAL A 3 8.527 2.443 -5.444 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.152 1.706 -6.301 1.00 0.00 H new ATOM 0 HG21 VAL A 3 4.959 2.957 -4.454 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.933 1.236 -4.906 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.926 1.705 -3.189 1.00 0.00 H new ATOM 67 N ARG A 4 9.616 0.058 -4.618 1.00 0.00 N ATOM 68 CA ARG A 4 11.073 -0.124 -4.574 1.00 0.00 C ATOM 69 C ARG A 4 11.788 1.183 -4.969 1.00 0.00 C ATOM 70 O ARG A 4 11.335 1.888 -5.877 1.00 0.00 O ATOM 71 CB ARG A 4 11.457 -1.278 -5.534 1.00 0.00 C ATOM 72 CG ARG A 4 10.762 -2.622 -5.220 1.00 0.00 C ATOM 73 CD ARG A 4 11.130 -3.723 -6.217 1.00 0.00 C ATOM 74 NE ARG A 4 10.488 -5.010 -5.883 1.00 0.00 N ATOM 75 CZ ARG A 4 10.070 -5.917 -6.778 1.00 0.00 C ATOM 76 NH1 ARG A 4 10.184 -5.691 -8.082 1.00 0.00 N ATOM 77 NH2 ARG A 4 9.531 -7.050 -6.364 1.00 0.00 N ATOM 0 H ARG A 4 9.201 -0.201 -5.513 1.00 0.00 H new ATOM 0 HA ARG A 4 11.386 -0.378 -3.561 1.00 0.00 H new ATOM 0 HB2 ARG A 4 11.210 -0.984 -6.554 1.00 0.00 H new ATOM 0 HB3 ARG A 4 12.537 -1.423 -5.496 1.00 0.00 H new ATOM 0 HG2 ARG A 4 11.035 -2.942 -4.214 1.00 0.00 H new ATOM 0 HG3 ARG A 4 9.682 -2.478 -5.226 1.00 0.00 H new ATOM 0 HD2 ARG A 4 10.831 -3.418 -7.220 1.00 0.00 H new ATOM 0 HD3 ARG A 4 12.212 -3.851 -6.232 1.00 0.00 H new ATOM 0 HE ARG A 4 10.352 -5.226 -4.895 1.00 0.00 H new ATOM 0 HH11 ARG A 4 10.594 -4.818 -8.414 1.00 0.00 H new ATOM 0 HH12 ARG A 4 9.862 -6.390 -8.751 1.00 0.00 H new ATOM 0 HH21 ARG A 4 9.433 -7.233 -5.365 1.00 0.00 H new ATOM 0 HH22 ARG A 4 9.212 -7.741 -7.043 1.00 0.00 H new ATOM 91 N CYS A 5 12.913 1.488 -4.289 1.00 0.00 N ATOM 92 CA CYS A 5 13.688 2.726 -4.515 1.00 0.00 C ATOM 93 C CYS A 5 15.194 2.425 -4.693 1.00 0.00 C ATOM 94 O CYS A 5 15.916 2.178 -3.717 1.00 0.00 O ATOM 95 CB CYS A 5 13.431 3.719 -3.362 1.00 0.00 C ATOM 96 SG CYS A 5 11.734 4.349 -3.330 1.00 0.00 S ATOM 0 H CYS A 5 13.309 0.884 -3.569 1.00 0.00 H new ATOM 0 HA CYS A 5 13.353 3.186 -5.444 1.00 0.00 H new ATOM 0 HB2 CYS A 5 13.648 3.228 -2.413 1.00 0.00 H new ATOM 0 HB3 CYS A 5 14.122 4.557 -3.452 1.00 0.00 H new ATOM 0 HG CYS A 5 11.017 3.710 -4.206 1.00 0.00 H new ATOM 102 N LYS A 6 15.641 2.444 -5.967 1.00 0.00 N ATOM 103 CA LYS A 6 17.027 2.135 -6.370 1.00 0.00 C ATOM 104 C LYS A 6 17.960 3.305 -6.019 1.00 0.00 C ATOM 105 O LYS A 6 17.783 4.407 -6.535 1.00 0.00 O ATOM 106 CB LYS A 6 17.085 1.892 -7.906 1.00 0.00 C ATOM 107 CG LYS A 6 18.417 1.296 -8.438 1.00 0.00 C ATOM 108 CD LYS A 6 18.537 -0.231 -8.212 1.00 0.00 C ATOM 109 CE LYS A 6 17.455 -1.012 -8.989 1.00 0.00 C ATOM 110 NZ LYS A 6 17.606 -2.486 -8.870 1.00 0.00 N ATOM 0 H LYS A 6 15.038 2.678 -6.756 1.00 0.00 H new ATOM 0 HA LYS A 6 17.350 1.241 -5.837 1.00 0.00 H new ATOM 0 HB2 LYS A 6 16.271 1.221 -8.181 1.00 0.00 H new ATOM 0 HB3 LYS A 6 16.903 2.839 -8.413 1.00 0.00 H new ATOM 0 HG2 LYS A 6 18.501 1.506 -9.504 1.00 0.00 H new ATOM 0 HG3 LYS A 6 19.252 1.796 -7.948 1.00 0.00 H new ATOM 0 HD2 LYS A 6 19.525 -0.568 -8.526 1.00 0.00 H new ATOM 0 HD3 LYS A 6 18.449 -0.449 -7.148 1.00 0.00 H new ATOM 0 HE2 LYS A 6 16.471 -0.722 -8.621 1.00 0.00 H new ATOM 0 HE3 LYS A 6 17.497 -0.732 -10.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 16.884 -2.957 -9.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 18.552 -2.766 -9.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 17.487 -2.768 -7.876 1.00 0.00 H new ATOM 124 N ALA A 7 18.947 3.051 -5.159 1.00 0.00 N ATOM 125 CA ALA A 7 19.965 4.046 -4.778 1.00 0.00 C ATOM 126 C ALA A 7 21.295 3.330 -4.483 1.00 0.00 C ATOM 127 O ALA A 7 21.417 2.121 -4.722 1.00 0.00 O ATOM 128 CB ALA A 7 19.480 4.884 -3.578 1.00 0.00 C ATOM 0 H ALA A 7 19.068 2.147 -4.702 1.00 0.00 H new ATOM 0 HA ALA A 7 20.129 4.739 -5.603 1.00 0.00 H new ATOM 0 HB1 ALA A 7 20.245 5.613 -3.311 1.00 0.00 H new ATOM 0 HB2 ALA A 7 18.560 5.404 -3.845 1.00 0.00 H new ATOM 0 HB3 ALA A 7 19.292 4.228 -2.728 1.00 0.00 H new ATOM 170 N THR A 11 18.771 -1.753 -3.894 1.00 0.00 N ATOM 171 CA THR A 11 17.359 -1.378 -3.922 1.00 0.00 C ATOM 172 C THR A 11 16.827 -1.350 -2.476 1.00 0.00 C ATOM 173 O THR A 11 16.979 -2.322 -1.729 1.00 0.00 O ATOM 174 CB THR A 11 16.524 -2.371 -4.791 1.00 0.00 C ATOM 175 OG1 THR A 11 17.178 -2.578 -6.048 1.00 0.00 O ATOM 176 CG2 THR A 11 15.095 -1.850 -5.040 1.00 0.00 C ATOM 0 HA THR A 11 17.262 -0.391 -4.375 1.00 0.00 H new ATOM 0 HB THR A 11 16.451 -3.311 -4.244 1.00 0.00 H new ATOM 0 HG1 THR A 11 18.149 -2.575 -5.916 1.00 0.00 H new ATOM 0 HG21 THR A 11 14.546 -2.569 -5.648 1.00 0.00 H new ATOM 0 HG22 THR A 11 14.585 -1.717 -4.086 1.00 0.00 H new ATOM 0 HG23 THR A 11 15.142 -0.894 -5.562 1.00 0.00 H new ATOM 184 N HIS A 12 16.238 -0.217 -2.097 1.00 0.00 N ATOM 185 CA HIS A 12 15.712 0.029 -0.748 1.00 0.00 C ATOM 186 C HIS A 12 14.181 0.114 -0.826 1.00 0.00 C ATOM 187 O HIS A 12 13.642 1.034 -1.447 1.00 0.00 O ATOM 188 CB HIS A 12 16.321 1.342 -0.194 1.00 0.00 C ATOM 189 CG HIS A 12 17.827 1.308 -0.042 1.00 0.00 C ATOM 190 ND1 HIS A 12 18.700 1.549 -1.085 1.00 0.00 N ATOM 191 CD2 HIS A 12 18.608 1.089 1.043 1.00 0.00 C ATOM 192 CE1 HIS A 12 19.942 1.466 -0.645 1.00 0.00 C ATOM 193 NE2 HIS A 12 19.915 1.196 0.643 1.00 0.00 N ATOM 0 H HIS A 12 16.109 0.573 -2.729 1.00 0.00 H new ATOM 0 HA HIS A 12 15.984 -0.782 -0.073 1.00 0.00 H new ATOM 0 HB2 HIS A 12 16.052 2.163 -0.858 1.00 0.00 H new ATOM 0 HB3 HIS A 12 15.873 1.557 0.776 1.00 0.00 H new ATOM 0 HD2 HIS A 12 18.263 0.870 2.043 1.00 0.00 H new ATOM 0 HE1 HIS A 12 20.832 1.598 -1.242 1.00 0.00 H new ATOM 0 HE2 HIS A 12 20.731 1.085 1.244 1.00 0.00 H new ATOM 202 N LEU A 13 13.495 -0.873 -0.230 1.00 0.00 N ATOM 203 CA LEU A 13 12.029 -0.987 -0.297 1.00 0.00 C ATOM 204 C LEU A 13 11.362 -0.033 0.715 1.00 0.00 C ATOM 205 O LEU A 13 11.633 -0.111 1.922 1.00 0.00 O ATOM 206 CB LEU A 13 11.595 -2.453 -0.020 1.00 0.00 C ATOM 207 CG LEU A 13 10.068 -2.758 -0.193 1.00 0.00 C ATOM 208 CD1 LEU A 13 9.612 -2.529 -1.645 1.00 0.00 C ATOM 209 CD2 LEU A 13 9.709 -4.186 0.282 1.00 0.00 C ATOM 0 H LEU A 13 13.940 -1.614 0.312 1.00 0.00 H new ATOM 0 HA LEU A 13 11.705 -0.705 -1.299 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.155 -3.109 -0.686 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.884 -2.711 0.999 1.00 0.00 H new ATOM 0 HG LEU A 13 9.528 -2.057 0.443 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.548 -2.749 -1.731 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.791 -1.490 -1.923 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.173 -3.185 -2.310 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.641 -4.357 0.145 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.271 -4.915 -0.301 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.961 -4.293 1.337 1.00 0.00 H new ATOM 221 N LEU A 14 10.511 0.875 0.206 1.00 0.00 N ATOM 222 CA LEU A 14 9.698 1.775 1.042 1.00 0.00 C ATOM 223 C LEU A 14 8.438 1.055 1.552 1.00 0.00 C ATOM 224 O LEU A 14 7.734 0.372 0.795 1.00 0.00 O ATOM 225 CB LEU A 14 9.329 3.087 0.283 1.00 0.00 C ATOM 226 CG LEU A 14 10.291 4.302 0.504 1.00 0.00 C ATOM 227 CD1 LEU A 14 11.728 4.005 0.015 1.00 0.00 C ATOM 228 CD2 LEU A 14 9.723 5.585 -0.142 1.00 0.00 C ATOM 0 H LEU A 14 10.368 1.005 -0.795 1.00 0.00 H new ATOM 0 HA LEU A 14 10.300 2.059 1.905 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.292 2.868 -0.784 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.324 3.386 0.582 1.00 0.00 H new ATOM 0 HG LEU A 14 10.356 4.471 1.579 1.00 0.00 H new ATOM 0 HD11 LEU A 14 12.359 4.877 0.189 1.00 0.00 H new ATOM 0 HD12 LEU A 14 12.129 3.152 0.562 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.710 3.777 -1.051 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.412 6.413 0.027 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.599 5.429 -1.214 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.757 5.820 0.304 1.00 0.00 H new ATOM 240 N GLN A 15 8.187 1.222 2.858 1.00 0.00 N ATOM 241 CA GLN A 15 7.034 0.640 3.565 1.00 0.00 C ATOM 242 C GLN A 15 5.998 1.737 3.847 1.00 0.00 C ATOM 243 O GLN A 15 6.360 2.913 3.954 1.00 0.00 O ATOM 244 CB GLN A 15 7.518 0.015 4.907 1.00 0.00 C ATOM 245 CG GLN A 15 8.701 -0.969 4.777 1.00 0.00 C ATOM 246 CD GLN A 15 8.333 -2.258 4.049 1.00 0.00 C ATOM 247 OE1 GLN A 15 7.927 -3.233 4.669 1.00 0.00 O ATOM 248 NE2 GLN A 15 8.458 -2.268 2.733 1.00 0.00 N ATOM 0 H GLN A 15 8.791 1.776 3.466 1.00 0.00 H new ATOM 0 HA GLN A 15 6.577 -0.134 2.948 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.807 0.820 5.583 1.00 0.00 H new ATOM 0 HB3 GLN A 15 6.681 -0.506 5.371 1.00 0.00 H new ATOM 0 HG2 GLN A 15 9.516 -0.479 4.245 1.00 0.00 H new ATOM 0 HG3 GLN A 15 9.072 -1.215 5.772 1.00 0.00 H new ATOM 0 HE21 GLN A 15 8.799 -1.439 2.247 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.213 -3.105 2.204 1.00 0.00 H new ATOM 257 N GLY A 16 4.722 1.341 3.962 1.00 0.00 N ATOM 258 CA GLY A 16 3.651 2.233 4.433 1.00 0.00 C ATOM 259 C GLY A 16 3.299 3.377 3.488 1.00 0.00 C ATOM 260 O GLY A 16 2.761 4.397 3.937 1.00 0.00 O ATOM 0 H GLY A 16 4.404 0.399 3.733 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.755 1.638 4.608 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.947 2.654 5.394 1.00 0.00 H new ATOM 264 N LEU A 17 3.586 3.220 2.182 1.00 0.00 N ATOM 265 CA LEU A 17 3.197 4.215 1.173 1.00 0.00 C ATOM 266 C LEU A 17 1.703 4.083 0.852 1.00 0.00 C ATOM 267 O LEU A 17 1.254 3.031 0.404 1.00 0.00 O ATOM 268 CB LEU A 17 4.031 4.080 -0.128 1.00 0.00 C ATOM 269 CG LEU A 17 5.545 4.429 -0.024 1.00 0.00 C ATOM 270 CD1 LEU A 17 6.248 4.254 -1.384 1.00 0.00 C ATOM 271 CD2 LEU A 17 5.751 5.859 0.522 1.00 0.00 C ATOM 0 H LEU A 17 4.085 2.414 1.805 1.00 0.00 H new ATOM 0 HA LEU A 17 3.396 5.201 1.592 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.941 3.054 -0.485 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.585 4.722 -0.887 1.00 0.00 H new ATOM 0 HG LEU A 17 5.998 3.733 0.682 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.304 4.504 -1.283 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.150 3.220 -1.714 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.788 4.914 -2.119 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.818 6.075 0.584 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.274 6.576 -0.146 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.307 5.937 1.514 1.00 0.00 H new ATOM 283 N SER A 18 0.949 5.142 1.129 1.00 0.00 N ATOM 284 CA SER A 18 -0.455 5.261 0.712 1.00 0.00 C ATOM 285 C SER A 18 -0.503 5.807 -0.724 1.00 0.00 C ATOM 286 O SER A 18 0.467 6.410 -1.189 1.00 0.00 O ATOM 287 CB SER A 18 -1.213 6.199 1.677 1.00 0.00 C ATOM 288 OG SER A 18 -0.696 7.522 1.638 1.00 0.00 O ATOM 0 H SER A 18 1.291 5.949 1.651 1.00 0.00 H new ATOM 0 HA SER A 18 -0.936 4.283 0.741 1.00 0.00 H new ATOM 0 HB2 SER A 18 -2.271 6.214 1.414 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.142 5.810 2.693 1.00 0.00 H new ATOM 0 HG SER A 18 0.233 7.501 1.326 1.00 0.00 H new ATOM 294 N SER A 19 -1.639 5.629 -1.411 1.00 0.00 N ATOM 295 CA SER A 19 -1.853 6.176 -2.767 1.00 0.00 C ATOM 296 C SER A 19 -1.872 7.730 -2.759 1.00 0.00 C ATOM 297 O SER A 19 -1.710 8.368 -3.809 1.00 0.00 O ATOM 298 CB SER A 19 -3.163 5.593 -3.344 1.00 0.00 C ATOM 299 OG SER A 19 -4.244 5.768 -2.442 1.00 0.00 O ATOM 0 H SER A 19 -2.435 5.105 -1.049 1.00 0.00 H new ATOM 0 HA SER A 19 -1.021 5.882 -3.407 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.394 6.080 -4.292 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.030 4.532 -3.555 1.00 0.00 H new ATOM 0 HG SER A 19 -5.060 5.392 -2.833 1.00 0.00 H new ATOM 305 N ARG A 20 -2.068 8.323 -1.554 1.00 0.00 N ATOM 306 CA ARG A 20 -2.075 9.782 -1.341 1.00 0.00 C ATOM 307 C ARG A 20 -0.802 10.274 -0.610 1.00 0.00 C ATOM 308 O ARG A 20 -0.800 11.392 -0.074 1.00 0.00 O ATOM 309 CB ARG A 20 -3.343 10.203 -0.530 1.00 0.00 C ATOM 310 CG ARG A 20 -4.714 9.961 -1.210 1.00 0.00 C ATOM 311 CD ARG A 20 -4.895 10.735 -2.539 1.00 0.00 C ATOM 312 NE ARG A 20 -4.293 10.032 -3.685 1.00 0.00 N ATOM 313 CZ ARG A 20 -4.112 10.546 -4.910 1.00 0.00 C ATOM 314 NH1 ARG A 20 -4.330 11.833 -5.156 1.00 0.00 N ATOM 315 NH2 ARG A 20 -3.690 9.762 -5.884 1.00 0.00 N ATOM 0 H ARG A 20 -2.227 7.791 -0.698 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.093 10.250 -2.325 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.334 9.667 0.419 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.261 11.265 -0.297 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.831 8.894 -1.402 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.507 10.250 -0.521 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.958 10.886 -2.727 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.445 11.723 -2.445 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.987 9.071 -3.533 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.641 12.450 -4.406 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.186 12.204 -6.095 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.505 8.776 -5.701 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.549 10.142 -6.820 1.00 0.00 H new ATOM 329 N THR A 21 0.278 9.462 -0.602 1.00 0.00 N ATOM 330 CA THR A 21 1.574 9.871 -0.024 1.00 0.00 C ATOM 331 C THR A 21 2.156 11.072 -0.807 1.00 0.00 C ATOM 332 O THR A 21 2.389 10.988 -2.018 1.00 0.00 O ATOM 333 CB THR A 21 2.591 8.681 -0.005 1.00 0.00 C ATOM 334 OG1 THR A 21 2.130 7.678 0.904 1.00 0.00 O ATOM 335 CG2 THR A 21 4.009 9.102 0.388 1.00 0.00 C ATOM 0 H THR A 21 0.276 8.519 -0.990 1.00 0.00 H new ATOM 0 HA THR A 21 1.401 10.175 1.008 1.00 0.00 H new ATOM 0 HB THR A 21 2.644 8.295 -1.023 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.891 7.314 1.403 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.663 8.230 0.381 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.380 9.839 -0.324 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.995 9.538 1.387 1.00 0.00 H new ATOM 343 N ARG A 22 2.355 12.188 -0.088 1.00 0.00 N ATOM 344 CA ARG A 22 2.847 13.458 -0.659 1.00 0.00 C ATOM 345 C ARG A 22 4.383 13.454 -0.791 1.00 0.00 C ATOM 346 O ARG A 22 5.027 12.490 -0.385 1.00 0.00 O ATOM 347 CB ARG A 22 2.363 14.634 0.230 1.00 0.00 C ATOM 348 CG ARG A 22 0.822 14.710 0.351 1.00 0.00 C ATOM 349 CD ARG A 22 0.342 15.808 1.310 1.00 0.00 C ATOM 350 NE ARG A 22 -1.130 15.927 1.319 1.00 0.00 N ATOM 351 CZ ARG A 22 -1.853 16.528 2.276 1.00 0.00 C ATOM 352 NH1 ARG A 22 -1.276 16.969 3.385 1.00 0.00 N ATOM 353 NH2 ARG A 22 -3.164 16.675 2.120 1.00 0.00 N ATOM 0 H ARG A 22 2.178 12.238 0.915 1.00 0.00 H new ATOM 0 HA ARG A 22 2.443 13.578 -1.664 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.795 14.531 1.225 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.736 15.571 -0.183 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.395 14.887 -0.636 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.443 13.747 0.694 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.695 15.589 2.318 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.781 16.762 1.019 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.638 15.519 0.534 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.271 16.853 3.518 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.837 17.424 4.105 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.619 16.331 1.274 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.716 17.132 2.846 1.00 0.00 H new ATOM 367 N LEU A 23 4.941 14.543 -1.371 1.00 0.00 N ATOM 368 CA LEU A 23 6.410 14.748 -1.561 1.00 0.00 C ATOM 369 C LEU A 23 7.154 14.529 -0.231 1.00 0.00 C ATOM 370 O LEU A 23 8.014 13.651 -0.123 1.00 0.00 O ATOM 371 CB LEU A 23 6.652 16.199 -2.111 1.00 0.00 C ATOM 372 CG LEU A 23 8.084 16.597 -2.652 1.00 0.00 C ATOM 373 CD1 LEU A 23 8.038 17.969 -3.356 1.00 0.00 C ATOM 374 CD2 LEU A 23 9.196 16.615 -1.567 1.00 0.00 C ATOM 0 H LEU A 23 4.382 15.318 -1.727 1.00 0.00 H new ATOM 0 HA LEU A 23 6.797 14.025 -2.279 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.940 16.365 -2.919 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.398 16.897 -1.314 1.00 0.00 H new ATOM 0 HG LEU A 23 8.350 15.811 -3.359 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.033 18.224 -3.721 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.344 17.924 -4.195 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.704 18.729 -2.650 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.145 16.898 -2.023 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.937 17.336 -0.792 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.288 15.624 -1.123 1.00 0.00 H new ATOM 386 N ARG A 24 6.791 15.362 0.759 1.00 0.00 N ATOM 387 CA ARG A 24 7.392 15.363 2.113 1.00 0.00 C ATOM 388 C ARG A 24 7.351 13.977 2.793 1.00 0.00 C ATOM 389 O ARG A 24 8.235 13.642 3.585 1.00 0.00 O ATOM 390 CB ARG A 24 6.667 16.420 2.997 1.00 0.00 C ATOM 391 CG ARG A 24 5.121 16.336 2.947 1.00 0.00 C ATOM 392 CD ARG A 24 4.443 17.157 4.048 1.00 0.00 C ATOM 393 NE ARG A 24 4.743 16.603 5.376 1.00 0.00 N ATOM 394 CZ ARG A 24 4.249 17.040 6.542 1.00 0.00 C ATOM 395 NH1 ARG A 24 3.466 18.108 6.600 1.00 0.00 N ATOM 396 NH2 ARG A 24 4.552 16.403 7.656 1.00 0.00 N ATOM 0 H ARG A 24 6.062 16.066 0.644 1.00 0.00 H new ATOM 0 HA ARG A 24 8.445 15.620 2.003 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.993 16.299 4.030 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.976 17.416 2.680 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.775 16.686 1.975 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.816 15.294 3.038 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.782 18.192 3.996 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.365 17.166 3.889 1.00 0.00 H new ATOM 0 HE ARG A 24 5.387 15.813 5.413 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.229 18.614 5.746 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.100 18.424 7.498 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.159 15.584 7.626 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.180 16.730 8.548 1.00 0.00 H new ATOM 410 N GLU A 25 6.328 13.184 2.462 1.00 0.00 N ATOM 411 CA GLU A 25 6.116 11.851 3.044 1.00 0.00 C ATOM 412 C GLU A 25 6.959 10.800 2.287 1.00 0.00 C ATOM 413 O GLU A 25 7.539 9.899 2.892 1.00 0.00 O ATOM 414 CB GLU A 25 4.605 11.508 2.969 1.00 0.00 C ATOM 415 CG GLU A 25 3.662 12.599 3.517 1.00 0.00 C ATOM 416 CD GLU A 25 3.822 12.864 5.021 1.00 0.00 C ATOM 417 OE1 GLU A 25 3.180 12.168 5.831 1.00 0.00 O ATOM 418 OE2 GLU A 25 4.591 13.761 5.400 1.00 0.00 O ATOM 0 H GLU A 25 5.618 13.448 1.779 1.00 0.00 H new ATOM 0 HA GLU A 25 6.433 11.845 4.087 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.343 11.311 1.929 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.429 10.585 3.522 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.842 13.527 2.974 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.631 12.307 3.317 1.00 0.00 H new ATOM 425 N LEU A 26 7.034 10.965 0.953 1.00 0.00 N ATOM 426 CA LEU A 26 7.690 10.016 0.036 1.00 0.00 C ATOM 427 C LEU A 26 9.215 10.139 0.173 1.00 0.00 C ATOM 428 O LEU A 26 9.880 9.232 0.702 1.00 0.00 O ATOM 429 CB LEU A 26 7.173 10.294 -1.425 1.00 0.00 C ATOM 430 CG LEU A 26 7.657 9.359 -2.599 1.00 0.00 C ATOM 431 CD1 LEU A 26 9.012 9.793 -3.185 1.00 0.00 C ATOM 432 CD2 LEU A 26 7.687 7.881 -2.167 1.00 0.00 C ATOM 0 H LEU A 26 6.635 11.773 0.476 1.00 0.00 H new ATOM 0 HA LEU A 26 7.439 8.985 0.284 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.084 10.255 -1.401 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.450 11.316 -1.683 1.00 0.00 H new ATOM 0 HG LEU A 26 6.922 9.464 -3.397 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.295 9.114 -3.989 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.931 10.806 -3.578 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.771 9.767 -2.404 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.025 7.265 -3.000 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.371 7.761 -1.327 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.686 7.569 -1.868 1.00 0.00 H new ATOM 444 N GLN A 27 9.748 11.306 -0.248 1.00 0.00 N ATOM 445 CA GLN A 27 11.192 11.605 -0.180 1.00 0.00 C ATOM 446 C GLN A 27 11.668 11.727 1.284 1.00 0.00 C ATOM 447 O GLN A 27 12.874 11.665 1.560 1.00 0.00 O ATOM 448 CB GLN A 27 11.542 12.891 -0.983 1.00 0.00 C ATOM 449 CG GLN A 27 11.146 12.849 -2.477 1.00 0.00 C ATOM 450 CD GLN A 27 11.804 13.961 -3.315 1.00 0.00 C ATOM 451 OE1 GLN A 27 11.292 15.069 -3.419 1.00 0.00 O ATOM 452 NE2 GLN A 27 12.931 13.661 -3.946 1.00 0.00 N ATOM 0 H GLN A 27 9.191 12.064 -0.643 1.00 0.00 H new ATOM 0 HA GLN A 27 11.721 10.770 -0.639 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.047 13.741 -0.514 1.00 0.00 H new ATOM 0 HB3 GLN A 27 12.615 13.067 -0.911 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.423 11.880 -2.892 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.063 12.934 -2.561 1.00 0.00 H new ATOM 0 HE21 GLN A 27 13.340 12.732 -3.845 1.00 0.00 H new ATOM 0 HE22 GLN A 27 13.389 14.359 -4.532 1.00 0.00 H new ATOM 461 N GLY A 28 10.694 11.903 2.203 1.00 0.00 N ATOM 462 CA GLY A 28 10.953 11.921 3.639 1.00 0.00 C ATOM 463 C GLY A 28 11.339 10.543 4.168 1.00 0.00 C ATOM 464 O GLY A 28 12.275 10.423 4.972 1.00 0.00 O ATOM 0 H GLY A 28 9.712 12.035 1.960 1.00 0.00 H new ATOM 0 HA2 GLY A 28 11.753 12.629 3.854 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.065 12.275 4.163 1.00 0.00 H new ATOM 468 N GLN A 29 10.629 9.489 3.691 1.00 0.00 N ATOM 469 CA GLN A 29 10.941 8.091 4.067 1.00 0.00 C ATOM 470 C GLN A 29 12.262 7.662 3.428 1.00 0.00 C ATOM 471 O GLN A 29 13.048 6.984 4.055 1.00 0.00 O ATOM 472 CB GLN A 29 9.820 7.093 3.656 1.00 0.00 C ATOM 473 CG GLN A 29 8.502 7.231 4.444 1.00 0.00 C ATOM 474 CD GLN A 29 7.525 6.061 4.244 1.00 0.00 C ATOM 475 OE1 GLN A 29 6.746 5.733 5.137 1.00 0.00 O ATOM 476 NE2 GLN A 29 7.554 5.417 3.085 1.00 0.00 N ATOM 0 H GLN A 29 9.842 9.582 3.049 1.00 0.00 H new ATOM 0 HA GLN A 29 11.019 8.065 5.154 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.607 7.226 2.595 1.00 0.00 H new ATOM 0 HB3 GLN A 29 10.195 6.077 3.781 1.00 0.00 H new ATOM 0 HG2 GLN A 29 8.734 7.319 5.505 1.00 0.00 H new ATOM 0 HG3 GLN A 29 8.009 8.157 4.147 1.00 0.00 H new ATOM 0 HE21 GLN A 29 8.208 5.705 2.357 1.00 0.00 H new ATOM 0 HE22 GLN A 29 6.922 4.633 2.921 1.00 0.00 H new ATOM 485 N ILE A 30 12.476 8.083 2.175 1.00 0.00 N ATOM 486 CA ILE A 30 13.707 7.787 1.411 1.00 0.00 C ATOM 487 C ILE A 30 14.967 8.305 2.166 1.00 0.00 C ATOM 488 O ILE A 30 15.978 7.602 2.271 1.00 0.00 O ATOM 489 CB ILE A 30 13.608 8.437 -0.022 1.00 0.00 C ATOM 490 CG1 ILE A 30 12.474 7.769 -0.864 1.00 0.00 C ATOM 491 CG2 ILE A 30 14.952 8.395 -0.779 1.00 0.00 C ATOM 492 CD1 ILE A 30 12.206 8.415 -2.212 1.00 0.00 C ATOM 0 H ILE A 30 11.800 8.642 1.655 1.00 0.00 H new ATOM 0 HA ILE A 30 13.806 6.707 1.305 1.00 0.00 H new ATOM 0 HB ILE A 30 13.356 9.487 0.124 1.00 0.00 H new ATOM 0 HG12 ILE A 30 12.731 6.722 -1.025 1.00 0.00 H new ATOM 0 HG13 ILE A 30 11.553 7.785 -0.281 1.00 0.00 H new ATOM 0 HG21 ILE A 30 14.832 8.855 -1.760 1.00 0.00 H new ATOM 0 HG22 ILE A 30 15.706 8.941 -0.212 1.00 0.00 H new ATOM 0 HG23 ILE A 30 15.269 7.359 -0.900 1.00 0.00 H new ATOM 0 HD11 ILE A 30 11.403 7.880 -2.719 1.00 0.00 H new ATOM 0 HD12 ILE A 30 11.913 9.455 -2.065 1.00 0.00 H new ATOM 0 HD13 ILE A 30 13.109 8.375 -2.821 1.00 0.00 H new ATOM 504 N ALA A 31 14.849 9.526 2.720 1.00 0.00 N ATOM 505 CA ALA A 31 15.902 10.170 3.540 1.00 0.00 C ATOM 506 C ALA A 31 16.210 9.377 4.833 1.00 0.00 C ATOM 507 O ALA A 31 17.291 9.515 5.409 1.00 0.00 O ATOM 508 CB ALA A 31 15.495 11.616 3.857 1.00 0.00 C ATOM 0 H ALA A 31 14.014 10.102 2.612 1.00 0.00 H new ATOM 0 HA ALA A 31 16.825 10.176 2.960 1.00 0.00 H new ATOM 0 HB1 ALA A 31 16.270 12.088 4.460 1.00 0.00 H new ATOM 0 HB2 ALA A 31 15.370 12.171 2.927 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.555 11.617 4.409 1.00 0.00 H new ATOM 514 N ALA A 32 15.228 8.584 5.287 1.00 0.00 N ATOM 515 CA ALA A 32 15.357 7.716 6.473 1.00 0.00 C ATOM 516 C ALA A 32 15.873 6.308 6.090 1.00 0.00 C ATOM 517 O ALA A 32 16.633 5.697 6.848 1.00 0.00 O ATOM 518 CB ALA A 32 13.997 7.611 7.185 1.00 0.00 C ATOM 0 H ALA A 32 14.313 8.525 4.839 1.00 0.00 H new ATOM 0 HA ALA A 32 16.088 8.162 7.147 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.093 6.970 8.061 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.672 8.604 7.496 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.261 7.185 6.503 1.00 0.00 H new ATOM 524 N ILE A 33 15.454 5.801 4.910 1.00 0.00 N ATOM 525 CA ILE A 33 15.720 4.406 4.489 1.00 0.00 C ATOM 526 C ILE A 33 17.086 4.288 3.797 1.00 0.00 C ATOM 527 O ILE A 33 17.990 3.613 4.303 1.00 0.00 O ATOM 528 CB ILE A 33 14.561 3.840 3.566 1.00 0.00 C ATOM 529 CG1 ILE A 33 13.201 3.877 4.343 1.00 0.00 C ATOM 530 CG2 ILE A 33 14.867 2.401 3.063 1.00 0.00 C ATOM 531 CD1 ILE A 33 12.020 3.211 3.661 1.00 0.00 C ATOM 0 H ILE A 33 14.925 6.342 4.226 1.00 0.00 H new ATOM 0 HA ILE A 33 15.745 3.794 5.391 1.00 0.00 H new ATOM 0 HB ILE A 33 14.491 4.477 2.684 1.00 0.00 H new ATOM 0 HG12 ILE A 33 13.348 3.403 5.313 1.00 0.00 H new ATOM 0 HG13 ILE A 33 12.944 4.919 4.533 1.00 0.00 H new ATOM 0 HG21 ILE A 33 14.047 2.053 2.435 1.00 0.00 H new ATOM 0 HG22 ILE A 33 15.791 2.407 2.484 1.00 0.00 H new ATOM 0 HG23 ILE A 33 14.978 1.733 3.917 1.00 0.00 H new ATOM 0 HD11 ILE A 33 11.137 3.301 4.293 1.00 0.00 H new ATOM 0 HD12 ILE A 33 11.832 3.696 2.703 1.00 0.00 H new ATOM 0 HD13 ILE A 33 12.242 2.157 3.496 1.00 0.00 H new ATOM 543 N THR A 34 17.236 4.947 2.638 1.00 0.00 N ATOM 544 CA THR A 34 18.502 4.940 1.878 1.00 0.00 C ATOM 545 C THR A 34 19.375 6.159 2.249 1.00 0.00 C ATOM 546 O THR A 34 20.483 6.308 1.738 1.00 0.00 O ATOM 547 CB THR A 34 18.242 4.873 0.336 1.00 0.00 C ATOM 548 OG1 THR A 34 19.480 4.742 -0.390 1.00 0.00 O ATOM 549 CG2 THR A 34 17.460 6.074 -0.183 1.00 0.00 C ATOM 0 H THR A 34 16.494 5.495 2.202 1.00 0.00 H new ATOM 0 HA THR A 34 19.051 4.040 2.154 1.00 0.00 H new ATOM 0 HB THR A 34 17.629 3.988 0.167 1.00 0.00 H new ATOM 0 HG1 THR A 34 20.191 5.219 0.087 1.00 0.00 H new ATOM 0 HG21 THR A 34 17.309 5.973 -1.258 1.00 0.00 H new ATOM 0 HG22 THR A 34 16.492 6.121 0.316 1.00 0.00 H new ATOM 0 HG23 THR A 34 18.018 6.988 0.021 1.00 0.00 H new ATOM 557 N GLY A 35 18.848 7.037 3.123 1.00 0.00 N ATOM 558 CA GLY A 35 19.612 8.157 3.677 1.00 0.00 C ATOM 559 C GLY A 35 19.681 9.382 2.777 1.00 0.00 C ATOM 560 O GLY A 35 20.117 10.443 3.233 1.00 0.00 O ATOM 0 H GLY A 35 17.886 6.986 3.460 1.00 0.00 H new ATOM 0 HA2 GLY A 35 19.169 8.447 4.630 1.00 0.00 H new ATOM 0 HA3 GLY A 35 20.627 7.819 3.887 1.00 0.00 H new ATOM 564 N ILE A 36 19.231 9.253 1.507 1.00 0.00 N ATOM 565 CA ILE A 36 19.355 10.335 0.513 1.00 0.00 C ATOM 566 C ILE A 36 18.379 11.476 0.854 1.00 0.00 C ATOM 567 O ILE A 36 17.157 11.295 0.769 1.00 0.00 O ATOM 568 CB ILE A 36 19.090 9.844 -0.964 1.00 0.00 C ATOM 569 CG1 ILE A 36 19.875 8.526 -1.291 1.00 0.00 C ATOM 570 CG2 ILE A 36 19.439 10.952 -1.992 1.00 0.00 C ATOM 571 CD1 ILE A 36 21.372 8.566 -1.036 1.00 0.00 C ATOM 0 H ILE A 36 18.780 8.410 1.151 1.00 0.00 H new ATOM 0 HA ILE A 36 20.385 10.688 0.559 1.00 0.00 H new ATOM 0 HB ILE A 36 18.025 9.624 -1.041 1.00 0.00 H new ATOM 0 HG12 ILE A 36 19.447 7.715 -0.702 1.00 0.00 H new ATOM 0 HG13 ILE A 36 19.711 8.279 -2.340 1.00 0.00 H new ATOM 0 HG21 ILE A 36 19.247 10.586 -3.001 1.00 0.00 H new ATOM 0 HG22 ILE A 36 18.824 11.832 -1.802 1.00 0.00 H new ATOM 0 HG23 ILE A 36 20.492 11.218 -1.897 1.00 0.00 H new ATOM 0 HD11 ILE A 36 21.811 7.603 -1.297 1.00 0.00 H new ATOM 0 HD12 ILE A 36 21.824 9.348 -1.646 1.00 0.00 H new ATOM 0 HD13 ILE A 36 21.556 8.776 0.018 1.00 0.00 H new ATOM 583 N ALA A 37 18.944 12.630 1.264 1.00 0.00 N ATOM 584 CA ALA A 37 18.182 13.839 1.638 1.00 0.00 C ATOM 585 C ALA A 37 17.225 14.269 0.499 1.00 0.00 C ATOM 586 O ALA A 37 17.601 14.136 -0.662 1.00 0.00 O ATOM 587 CB ALA A 37 19.176 14.965 1.983 1.00 0.00 C ATOM 0 H ALA A 37 19.954 12.750 1.346 1.00 0.00 H new ATOM 0 HA ALA A 37 17.564 13.623 2.509 1.00 0.00 H new ATOM 0 HB1 ALA A 37 18.625 15.864 2.261 1.00 0.00 H new ATOM 0 HB2 ALA A 37 19.805 14.652 2.817 1.00 0.00 H new ATOM 0 HB3 ALA A 37 19.802 15.176 1.116 1.00 0.00 H new ATOM 593 N PRO A 38 15.995 14.809 0.812 1.00 0.00 N ATOM 594 CA PRO A 38 14.965 15.137 -0.215 1.00 0.00 C ATOM 595 C PRO A 38 15.462 16.153 -1.267 1.00 0.00 C ATOM 596 O PRO A 38 15.018 16.121 -2.419 1.00 0.00 O ATOM 597 CB PRO A 38 13.779 15.695 0.617 1.00 0.00 C ATOM 598 CG PRO A 38 14.395 16.138 1.912 1.00 0.00 C ATOM 599 CD PRO A 38 15.522 15.169 2.181 1.00 0.00 C ATOM 0 HA PRO A 38 14.693 14.265 -0.810 1.00 0.00 H new ATOM 0 HB2 PRO A 38 13.293 16.526 0.105 1.00 0.00 H new ATOM 0 HB3 PRO A 38 13.018 14.933 0.781 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.766 17.160 1.839 1.00 0.00 H new ATOM 0 HG3 PRO A 38 13.663 16.121 2.720 1.00 0.00 H new ATOM 0 HD2 PRO A 38 16.314 15.627 2.773 1.00 0.00 H new ATOM 0 HD3 PRO A 38 15.178 14.293 2.731 1.00 0.00 H new ATOM 607 N GLY A 39 16.415 17.021 -0.857 1.00 0.00 N ATOM 608 CA GLY A 39 17.076 17.975 -1.761 1.00 0.00 C ATOM 609 C GLY A 39 18.367 17.433 -2.378 1.00 0.00 C ATOM 610 O GLY A 39 19.284 18.200 -2.685 1.00 0.00 O ATOM 0 H GLY A 39 16.743 17.076 0.107 1.00 0.00 H new ATOM 0 HA2 GLY A 39 16.386 18.245 -2.560 1.00 0.00 H new ATOM 0 HA3 GLY A 39 17.301 18.889 -1.211 1.00 0.00 H new ATOM 614 N SER A 40 18.445 16.097 -2.529 1.00 0.00 N ATOM 615 CA SER A 40 19.572 15.394 -3.181 1.00 0.00 C ATOM 616 C SER A 40 19.036 14.252 -4.076 1.00 0.00 C ATOM 617 O SER A 40 19.807 13.419 -4.562 1.00 0.00 O ATOM 618 CB SER A 40 20.536 14.832 -2.103 1.00 0.00 C ATOM 619 OG SER A 40 21.043 15.860 -1.268 1.00 0.00 O ATOM 0 H SER A 40 17.717 15.464 -2.197 1.00 0.00 H new ATOM 0 HA SER A 40 20.120 16.098 -3.808 1.00 0.00 H new ATOM 0 HB2 SER A 40 20.012 14.094 -1.495 1.00 0.00 H new ATOM 0 HB3 SER A 40 21.364 14.315 -2.588 1.00 0.00 H new ATOM 0 HG SER A 40 21.645 15.471 -0.600 1.00 0.00 H new ATOM 625 N GLN A 41 17.708 14.246 -4.304 1.00 0.00 N ATOM 626 CA GLN A 41 17.007 13.181 -5.052 1.00 0.00 C ATOM 627 C GLN A 41 15.767 13.741 -5.761 1.00 0.00 C ATOM 628 O GLN A 41 15.248 14.806 -5.398 1.00 0.00 O ATOM 629 CB GLN A 41 16.586 12.014 -4.109 1.00 0.00 C ATOM 630 CG GLN A 41 16.014 12.478 -2.747 1.00 0.00 C ATOM 631 CD GLN A 41 14.896 11.622 -2.179 1.00 0.00 C ATOM 632 OE1 GLN A 41 14.131 10.998 -2.910 1.00 0.00 O ATOM 633 NE2 GLN A 41 14.760 11.624 -0.862 1.00 0.00 N ATOM 0 H GLN A 41 17.087 14.984 -3.973 1.00 0.00 H new ATOM 0 HA GLN A 41 17.701 12.794 -5.798 1.00 0.00 H new ATOM 0 HB2 GLN A 41 15.839 11.403 -4.616 1.00 0.00 H new ATOM 0 HB3 GLN A 41 17.451 11.376 -3.929 1.00 0.00 H new ATOM 0 HG2 GLN A 41 16.828 12.508 -2.023 1.00 0.00 H new ATOM 0 HG3 GLN A 41 15.646 13.498 -2.856 1.00 0.00 H new ATOM 0 HE21 GLN A 41 15.412 12.153 -0.283 1.00 0.00 H new ATOM 0 HE22 GLN A 41 14.003 11.097 -0.427 1.00 0.00 H new ATOM 642 N ARG A 42 15.300 12.973 -6.759 1.00 0.00 N ATOM 643 CA ARG A 42 14.064 13.234 -7.528 1.00 0.00 C ATOM 644 C ARG A 42 13.372 11.887 -7.853 1.00 0.00 C ATOM 645 O ARG A 42 13.754 10.839 -7.310 1.00 0.00 O ATOM 646 CB ARG A 42 14.371 14.037 -8.832 1.00 0.00 C ATOM 647 CG ARG A 42 14.716 15.529 -8.616 1.00 0.00 C ATOM 648 CD ARG A 42 15.079 16.253 -9.926 1.00 0.00 C ATOM 649 NE ARG A 42 16.224 15.604 -10.594 1.00 0.00 N ATOM 650 CZ ARG A 42 17.090 16.188 -11.431 1.00 0.00 C ATOM 651 NH1 ARG A 42 17.014 17.479 -11.724 1.00 0.00 N ATOM 652 NH2 ARG A 42 18.064 15.456 -11.946 1.00 0.00 N ATOM 0 H ARG A 42 15.783 12.128 -7.065 1.00 0.00 H new ATOM 0 HA ARG A 42 13.392 13.845 -6.926 1.00 0.00 H new ATOM 0 HB2 ARG A 42 15.203 13.558 -9.348 1.00 0.00 H new ATOM 0 HB3 ARG A 42 13.507 13.972 -9.493 1.00 0.00 H new ATOM 0 HG2 ARG A 42 13.866 16.030 -8.153 1.00 0.00 H new ATOM 0 HG3 ARG A 42 15.551 15.607 -7.920 1.00 0.00 H new ATOM 0 HD2 ARG A 42 14.218 16.255 -10.594 1.00 0.00 H new ATOM 0 HD3 ARG A 42 15.321 17.295 -9.714 1.00 0.00 H new ATOM 0 HE ARG A 42 16.370 14.614 -10.399 1.00 0.00 H new ATOM 0 HH11 ARG A 42 16.282 18.054 -11.308 1.00 0.00 H new ATOM 0 HH12 ARG A 42 17.688 17.897 -12.365 1.00 0.00 H new ATOM 0 HH21 ARG A 42 18.143 14.469 -11.703 1.00 0.00 H new ATOM 0 HH22 ARG A 42 18.736 15.879 -12.586 1.00 0.00 H new ATOM 666 N ILE A 43 12.355 11.926 -8.746 1.00 0.00 N ATOM 667 CA ILE A 43 11.569 10.737 -9.143 1.00 0.00 C ATOM 668 C ILE A 43 11.966 10.325 -10.562 1.00 0.00 C ATOM 669 O ILE A 43 11.731 11.051 -11.534 1.00 0.00 O ATOM 670 CB ILE A 43 10.006 10.998 -9.045 1.00 0.00 C ATOM 671 CG1 ILE A 43 9.570 11.129 -7.549 1.00 0.00 C ATOM 672 CG2 ILE A 43 9.165 9.907 -9.770 1.00 0.00 C ATOM 673 CD1 ILE A 43 9.912 9.928 -6.674 1.00 0.00 C ATOM 0 H ILE A 43 12.057 12.784 -9.211 1.00 0.00 H new ATOM 0 HA ILE A 43 11.794 9.926 -8.450 1.00 0.00 H new ATOM 0 HB ILE A 43 9.807 11.937 -9.561 1.00 0.00 H new ATOM 0 HG12 ILE A 43 10.041 12.016 -7.125 1.00 0.00 H new ATOM 0 HG13 ILE A 43 8.493 11.292 -7.512 1.00 0.00 H new ATOM 0 HG21 ILE A 43 8.105 10.138 -9.669 1.00 0.00 H new ATOM 0 HG22 ILE A 43 9.433 9.884 -10.826 1.00 0.00 H new ATOM 0 HG23 ILE A 43 9.368 8.934 -9.323 1.00 0.00 H new ATOM 0 HD11 ILE A 43 9.571 10.111 -5.655 1.00 0.00 H new ATOM 0 HD12 ILE A 43 9.419 9.039 -7.067 1.00 0.00 H new ATOM 0 HD13 ILE A 43 10.991 9.774 -6.673 1.00 0.00 H new ATOM 685 N LEU A 44 12.635 9.179 -10.652 1.00 0.00 N ATOM 686 CA LEU A 44 12.993 8.530 -11.915 1.00 0.00 C ATOM 687 C LEU A 44 12.332 7.142 -11.918 1.00 0.00 C ATOM 688 O LEU A 44 12.024 6.608 -10.851 1.00 0.00 O ATOM 689 CB LEU A 44 14.543 8.418 -12.070 1.00 0.00 C ATOM 690 CG LEU A 44 15.389 9.743 -11.960 1.00 0.00 C ATOM 691 CD1 LEU A 44 14.836 10.869 -12.859 1.00 0.00 C ATOM 692 CD2 LEU A 44 15.559 10.207 -10.496 1.00 0.00 C ATOM 0 H LEU A 44 12.952 8.662 -9.832 1.00 0.00 H new ATOM 0 HA LEU A 44 12.640 9.120 -12.761 1.00 0.00 H new ATOM 0 HB2 LEU A 44 14.906 7.724 -11.312 1.00 0.00 H new ATOM 0 HB3 LEU A 44 14.751 7.967 -13.040 1.00 0.00 H new ATOM 0 HG LEU A 44 16.384 9.503 -12.334 1.00 0.00 H new ATOM 0 HD11 LEU A 44 15.453 11.760 -12.747 1.00 0.00 H new ATOM 0 HD12 LEU A 44 14.852 10.545 -13.900 1.00 0.00 H new ATOM 0 HD13 LEU A 44 13.811 11.098 -12.566 1.00 0.00 H new ATOM 0 HD21 LEU A 44 16.149 11.123 -10.471 1.00 0.00 H new ATOM 0 HD22 LEU A 44 14.579 10.394 -10.057 1.00 0.00 H new ATOM 0 HD23 LEU A 44 16.070 9.431 -9.925 1.00 0.00 H new ATOM 704 N VAL A 45 12.107 6.568 -13.102 1.00 0.00 N ATOM 705 CA VAL A 45 11.363 5.291 -13.258 1.00 0.00 C ATOM 706 C VAL A 45 12.136 4.308 -14.147 1.00 0.00 C ATOM 707 O VAL A 45 13.123 4.685 -14.795 1.00 0.00 O ATOM 708 CB VAL A 45 9.909 5.525 -13.839 1.00 0.00 C ATOM 709 CG1 VAL A 45 8.906 5.938 -12.739 1.00 0.00 C ATOM 710 CG2 VAL A 45 9.929 6.577 -14.981 1.00 0.00 C ATOM 0 H VAL A 45 12.430 6.965 -13.985 1.00 0.00 H new ATOM 0 HA VAL A 45 11.261 4.858 -12.263 1.00 0.00 H new ATOM 0 HB VAL A 45 9.572 4.573 -14.249 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.921 6.088 -13.182 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.849 5.153 -11.985 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.239 6.865 -12.272 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.918 6.719 -15.363 1.00 0.00 H new ATOM 0 HG22 VAL A 45 10.308 7.524 -14.597 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.575 6.227 -15.786 1.00 0.00 H new ATOM 720 N GLY A 46 11.668 3.042 -14.133 1.00 0.00 N ATOM 721 CA GLY A 46 12.246 1.961 -14.930 1.00 0.00 C ATOM 722 C GLY A 46 12.229 2.248 -16.424 1.00 0.00 C ATOM 723 O GLY A 46 13.258 2.110 -17.097 1.00 0.00 O ATOM 0 H GLY A 46 10.875 2.749 -13.563 1.00 0.00 H new ATOM 0 HA2 GLY A 46 13.274 1.791 -14.610 1.00 0.00 H new ATOM 0 HA3 GLY A 46 11.696 1.040 -14.736 1.00 0.00 H new ATOM 727 N TYR A 47 11.056 2.664 -16.940 1.00 0.00 N ATOM 728 CA TYR A 47 10.928 3.179 -18.321 1.00 0.00 C ATOM 729 C TYR A 47 11.536 4.612 -18.404 1.00 0.00 C ATOM 730 O TYR A 47 11.705 5.245 -17.356 1.00 0.00 O ATOM 731 CB TYR A 47 9.439 3.156 -18.786 1.00 0.00 C ATOM 732 CG TYR A 47 8.453 3.996 -17.943 1.00 0.00 C ATOM 733 CD1 TYR A 47 8.223 5.351 -18.218 1.00 0.00 C ATOM 734 CD2 TYR A 47 7.749 3.432 -16.873 1.00 0.00 C ATOM 735 CE1 TYR A 47 7.329 6.096 -17.470 1.00 0.00 C ATOM 736 CE2 TYR A 47 6.858 4.176 -16.126 1.00 0.00 C ATOM 737 CZ TYR A 47 6.656 5.506 -16.423 1.00 0.00 C ATOM 738 OH TYR A 47 5.773 6.247 -15.670 1.00 0.00 O ATOM 0 H TYR A 47 10.179 2.654 -16.420 1.00 0.00 H new ATOM 0 HA TYR A 47 11.484 2.531 -18.999 1.00 0.00 H new ATOM 0 HB2 TYR A 47 9.396 3.507 -19.817 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.095 2.122 -18.787 1.00 0.00 H new ATOM 0 HD1 TYR A 47 8.755 5.823 -19.031 1.00 0.00 H new ATOM 0 HD2 TYR A 47 7.906 2.392 -16.626 1.00 0.00 H new ATOM 0 HE1 TYR A 47 7.159 7.136 -17.706 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.320 3.716 -15.310 1.00 0.00 H new ATOM 0 HH TYR A 47 5.382 5.680 -14.972 1.00 0.00 H new ATOM 748 N PRO A 48 11.934 5.120 -19.627 1.00 0.00 N ATOM 749 CA PRO A 48 12.532 6.482 -19.794 1.00 0.00 C ATOM 750 C PRO A 48 11.760 7.621 -19.040 1.00 0.00 C ATOM 751 O PRO A 48 10.619 7.937 -19.408 1.00 0.00 O ATOM 752 CB PRO A 48 12.484 6.694 -21.335 1.00 0.00 C ATOM 753 CG PRO A 48 12.615 5.309 -21.901 1.00 0.00 C ATOM 754 CD PRO A 48 11.880 4.395 -20.936 1.00 0.00 C ATOM 0 HA PRO A 48 13.532 6.534 -19.363 1.00 0.00 H new ATOM 0 HB2 PRO A 48 11.550 7.164 -21.644 1.00 0.00 H new ATOM 0 HB3 PRO A 48 13.293 7.341 -21.674 1.00 0.00 H new ATOM 0 HG2 PRO A 48 12.182 5.252 -22.900 1.00 0.00 H new ATOM 0 HG3 PRO A 48 13.662 5.021 -21.991 1.00 0.00 H new ATOM 0 HD2 PRO A 48 10.852 4.225 -21.254 1.00 0.00 H new ATOM 0 HD3 PRO A 48 12.359 3.418 -20.870 1.00 0.00 H new ATOM 762 N PRO A 49 12.370 8.229 -17.957 1.00 0.00 N ATOM 763 CA PRO A 49 11.800 9.409 -17.266 1.00 0.00 C ATOM 764 C PRO A 49 12.194 10.731 -17.974 1.00 0.00 C ATOM 765 O PRO A 49 12.866 10.714 -19.012 1.00 0.00 O ATOM 766 CB PRO A 49 12.426 9.298 -15.853 1.00 0.00 C ATOM 767 CG PRO A 49 13.784 8.705 -16.094 1.00 0.00 C ATOM 768 CD PRO A 49 13.656 7.809 -17.320 1.00 0.00 C ATOM 0 HA PRO A 49 10.710 9.425 -17.254 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.498 10.274 -15.372 1.00 0.00 H new ATOM 0 HB3 PRO A 49 11.825 8.664 -15.201 1.00 0.00 H new ATOM 0 HG2 PRO A 49 14.524 9.487 -16.261 1.00 0.00 H new ATOM 0 HG3 PRO A 49 14.116 8.132 -15.228 1.00 0.00 H new ATOM 0 HD2 PRO A 49 14.498 7.943 -17.999 1.00 0.00 H new ATOM 0 HD3 PRO A 49 13.636 6.755 -17.041 1.00 0.00 H new ATOM 776 N GLU A 50 11.785 11.875 -17.397 1.00 0.00 N ATOM 777 CA GLU A 50 12.063 13.223 -17.963 1.00 0.00 C ATOM 778 C GLU A 50 12.748 14.126 -16.914 1.00 0.00 C ATOM 779 O GLU A 50 12.605 15.358 -16.965 1.00 0.00 O ATOM 780 CB GLU A 50 10.734 13.866 -18.457 1.00 0.00 C ATOM 781 CG GLU A 50 10.049 13.119 -19.621 1.00 0.00 C ATOM 782 CD GLU A 50 8.746 13.793 -20.083 1.00 0.00 C ATOM 783 OE1 GLU A 50 8.818 14.811 -20.810 1.00 0.00 O ATOM 784 OE2 GLU A 50 7.653 13.349 -19.683 1.00 0.00 O ATOM 0 H GLU A 50 11.253 11.900 -16.527 1.00 0.00 H new ATOM 0 HA GLU A 50 12.743 13.118 -18.808 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.039 13.920 -17.619 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.936 14.890 -18.770 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.739 13.059 -20.463 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.833 12.096 -19.312 1.00 0.00 H new ATOM 791 N CYS A 51 13.530 13.502 -15.996 1.00 0.00 N ATOM 792 CA CYS A 51 14.160 14.192 -14.847 1.00 0.00 C ATOM 793 C CYS A 51 13.079 14.917 -14.019 1.00 0.00 C ATOM 794 O CYS A 51 13.041 16.153 -13.956 1.00 0.00 O ATOM 795 CB CYS A 51 15.282 15.160 -15.314 1.00 0.00 C ATOM 796 SG CYS A 51 16.493 14.408 -16.432 1.00 0.00 S ATOM 0 H CYS A 51 13.740 12.505 -16.034 1.00 0.00 H new ATOM 0 HA CYS A 51 14.638 13.450 -14.208 1.00 0.00 H new ATOM 0 HB2 CYS A 51 14.825 16.014 -15.813 1.00 0.00 H new ATOM 0 HB3 CYS A 51 15.803 15.544 -14.437 1.00 0.00 H new ATOM 0 HG CYS A 51 17.384 15.294 -16.766 1.00 0.00 H new ATOM 802 N LEU A 52 12.174 14.117 -13.433 1.00 0.00 N ATOM 803 CA LEU A 52 10.933 14.616 -12.822 1.00 0.00 C ATOM 804 C LEU A 52 11.230 15.390 -11.523 1.00 0.00 C ATOM 805 O LEU A 52 11.628 14.807 -10.509 1.00 0.00 O ATOM 806 CB LEU A 52 9.965 13.425 -12.597 1.00 0.00 C ATOM 807 CG LEU A 52 9.646 12.587 -13.881 1.00 0.00 C ATOM 808 CD1 LEU A 52 8.867 11.302 -13.541 1.00 0.00 C ATOM 809 CD2 LEU A 52 8.909 13.450 -14.938 1.00 0.00 C ATOM 0 H LEU A 52 12.283 13.105 -13.370 1.00 0.00 H new ATOM 0 HA LEU A 52 10.449 15.325 -13.493 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.395 12.763 -11.845 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.030 13.807 -12.188 1.00 0.00 H new ATOM 0 HG LEU A 52 10.594 12.273 -14.319 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.664 10.747 -14.457 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.460 10.685 -12.866 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.925 11.564 -13.059 1.00 0.00 H new ATOM 0 HD21 LEU A 52 8.699 12.845 -15.820 1.00 0.00 H new ATOM 0 HD22 LEU A 52 7.972 13.817 -14.519 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.537 14.295 -15.219 1.00 0.00 H new ATOM 821 N ASP A 53 11.038 16.717 -11.605 1.00 0.00 N ATOM 822 CA ASP A 53 11.363 17.679 -10.547 1.00 0.00 C ATOM 823 C ASP A 53 10.104 17.946 -9.714 1.00 0.00 C ATOM 824 O ASP A 53 9.113 18.480 -10.230 1.00 0.00 O ATOM 825 CB ASP A 53 11.895 18.999 -11.179 1.00 0.00 C ATOM 826 CG ASP A 53 12.323 20.057 -10.140 1.00 0.00 C ATOM 827 OD1 ASP A 53 13.505 20.059 -9.739 1.00 0.00 O ATOM 828 OD2 ASP A 53 11.484 20.894 -9.726 1.00 0.00 O ATOM 0 H ASP A 53 10.641 17.159 -12.434 1.00 0.00 H new ATOM 0 HA ASP A 53 12.140 17.273 -9.900 1.00 0.00 H new ATOM 0 HB2 ASP A 53 12.746 18.767 -11.820 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.121 19.423 -11.818 1.00 0.00 H new ATOM 833 N LEU A 54 10.154 17.563 -8.433 1.00 0.00 N ATOM 834 CA LEU A 54 9.018 17.670 -7.511 1.00 0.00 C ATOM 835 C LEU A 54 8.954 19.107 -6.947 1.00 0.00 C ATOM 836 O LEU A 54 9.654 19.439 -5.978 1.00 0.00 O ATOM 837 CB LEU A 54 9.135 16.620 -6.372 1.00 0.00 C ATOM 838 CG LEU A 54 9.199 15.106 -6.774 1.00 0.00 C ATOM 839 CD1 LEU A 54 10.573 14.720 -7.364 1.00 0.00 C ATOM 840 CD2 LEU A 54 8.841 14.208 -5.567 1.00 0.00 C ATOM 0 H LEU A 54 10.990 17.167 -8.004 1.00 0.00 H new ATOM 0 HA LEU A 54 8.093 17.463 -8.049 1.00 0.00 H new ATOM 0 HB2 LEU A 54 10.030 16.851 -5.795 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.283 16.753 -5.705 1.00 0.00 H new ATOM 0 HG LEU A 54 8.460 14.944 -7.558 1.00 0.00 H new ATOM 0 HD11 LEU A 54 10.571 13.662 -7.628 1.00 0.00 H new ATOM 0 HD12 LEU A 54 10.767 15.316 -8.256 1.00 0.00 H new ATOM 0 HD13 LEU A 54 11.352 14.908 -6.625 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.891 13.161 -5.865 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.548 14.389 -4.757 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.832 14.441 -5.227 1.00 0.00 H new ATOM 852 N SER A 55 8.160 19.960 -7.609 1.00 0.00 N ATOM 853 CA SER A 55 8.022 21.383 -7.258 1.00 0.00 C ATOM 854 C SER A 55 7.065 21.573 -6.061 1.00 0.00 C ATOM 855 O SER A 55 7.424 22.204 -5.057 1.00 0.00 O ATOM 856 CB SER A 55 7.528 22.164 -8.500 1.00 0.00 C ATOM 857 OG SER A 55 6.364 21.574 -9.064 1.00 0.00 O ATOM 0 H SER A 55 7.591 19.682 -8.409 1.00 0.00 H new ATOM 0 HA SER A 55 8.993 21.773 -6.953 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.314 23.195 -8.220 1.00 0.00 H new ATOM 0 HB3 SER A 55 8.319 22.195 -9.249 1.00 0.00 H new ATOM 0 HG SER A 55 6.079 22.094 -9.845 1.00 0.00 H new ATOM 863 N ASP A 56 5.858 20.999 -6.173 1.00 0.00 N ATOM 864 CA ASP A 56 4.778 21.175 -5.183 1.00 0.00 C ATOM 865 C ASP A 56 4.962 20.189 -4.007 1.00 0.00 C ATOM 866 O ASP A 56 5.168 19.016 -4.228 1.00 0.00 O ATOM 867 CB ASP A 56 3.411 20.956 -5.888 1.00 0.00 C ATOM 868 CG ASP A 56 2.209 21.394 -5.042 1.00 0.00 C ATOM 869 OD1 ASP A 56 1.808 20.656 -4.136 1.00 0.00 O ATOM 870 OD2 ASP A 56 1.661 22.489 -5.278 1.00 0.00 O ATOM 0 H ASP A 56 5.600 20.397 -6.955 1.00 0.00 H new ATOM 0 HA ASP A 56 4.811 22.185 -4.774 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.404 21.507 -6.828 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.305 19.900 -6.137 1.00 0.00 H new ATOM 875 N ARG A 57 4.875 20.685 -2.764 1.00 0.00 N ATOM 876 CA ARG A 57 5.114 19.876 -1.528 1.00 0.00 C ATOM 877 C ARG A 57 3.968 18.866 -1.233 1.00 0.00 C ATOM 878 O ARG A 57 4.168 17.855 -0.539 1.00 0.00 O ATOM 879 CB ARG A 57 5.344 20.817 -0.295 1.00 0.00 C ATOM 880 CG ARG A 57 4.083 21.522 0.311 1.00 0.00 C ATOM 881 CD ARG A 57 3.324 22.433 -0.675 1.00 0.00 C ATOM 882 NE ARG A 57 4.218 23.395 -1.350 1.00 0.00 N ATOM 883 CZ ARG A 57 3.890 24.146 -2.418 1.00 0.00 C ATOM 884 NH1 ARG A 57 2.693 24.048 -2.978 1.00 0.00 N ATOM 885 NH2 ARG A 57 4.783 24.967 -2.942 1.00 0.00 N ATOM 0 H ARG A 57 4.637 21.658 -2.572 1.00 0.00 H new ATOM 0 HA ARG A 57 6.013 19.287 -1.708 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.816 20.231 0.494 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.055 21.589 -0.587 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.399 20.759 0.681 1.00 0.00 H new ATOM 0 HG3 ARG A 57 4.393 22.117 1.171 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.824 21.818 -1.423 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.547 22.977 -0.139 1.00 0.00 H new ATOM 0 HE ARG A 57 5.161 23.499 -0.976 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.005 23.397 -2.600 1.00 0.00 H new ATOM 0 HH12 ARG A 57 2.460 24.624 -3.787 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.717 25.030 -2.537 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.538 25.538 -3.751 1.00 0.00 H new ATOM 899 N ASP A 58 2.778 19.158 -1.775 1.00 0.00 N ATOM 900 CA ASP A 58 1.532 18.379 -1.542 1.00 0.00 C ATOM 901 C ASP A 58 1.353 17.274 -2.611 1.00 0.00 C ATOM 902 O ASP A 58 0.441 16.444 -2.499 1.00 0.00 O ATOM 903 CB ASP A 58 0.331 19.383 -1.551 1.00 0.00 C ATOM 904 CG ASP A 58 -1.057 18.774 -1.254 1.00 0.00 C ATOM 905 OD1 ASP A 58 -1.432 18.684 -0.075 1.00 0.00 O ATOM 906 OD2 ASP A 58 -1.789 18.416 -2.201 1.00 0.00 O ATOM 0 H ASP A 58 2.641 19.953 -2.399 1.00 0.00 H new ATOM 0 HA ASP A 58 1.583 17.870 -0.579 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.529 20.164 -0.816 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.293 19.866 -2.527 1.00 0.00 H new ATOM 911 N ILE A 59 2.254 17.251 -3.624 1.00 0.00 N ATOM 912 CA ILE A 59 2.145 16.345 -4.782 1.00 0.00 C ATOM 913 C ILE A 59 2.150 14.854 -4.345 1.00 0.00 C ATOM 914 O ILE A 59 3.074 14.384 -3.674 1.00 0.00 O ATOM 915 CB ILE A 59 3.268 16.637 -5.856 1.00 0.00 C ATOM 916 CG1 ILE A 59 2.947 15.922 -7.200 1.00 0.00 C ATOM 917 CG2 ILE A 59 4.692 16.255 -5.364 1.00 0.00 C ATOM 918 CD1 ILE A 59 3.936 16.208 -8.312 1.00 0.00 C ATOM 0 H ILE A 59 3.072 17.860 -3.656 1.00 0.00 H new ATOM 0 HA ILE A 59 1.183 16.541 -5.255 1.00 0.00 H new ATOM 0 HB ILE A 59 3.268 17.715 -6.016 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.914 14.846 -7.027 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.952 16.222 -7.529 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.419 16.479 -6.145 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.933 16.828 -4.469 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.724 15.190 -5.133 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.637 15.670 -9.212 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.953 17.278 -8.517 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.930 15.881 -8.008 1.00 0.00 H new ATOM 930 N THR A 60 1.072 14.139 -4.695 1.00 0.00 N ATOM 931 CA THR A 60 0.849 12.751 -4.274 1.00 0.00 C ATOM 932 C THR A 60 1.422 11.758 -5.299 1.00 0.00 C ATOM 933 O THR A 60 1.826 12.145 -6.411 1.00 0.00 O ATOM 934 CB THR A 60 -0.676 12.464 -4.065 1.00 0.00 C ATOM 935 OG1 THR A 60 -1.385 12.583 -5.316 1.00 0.00 O ATOM 936 CG2 THR A 60 -1.304 13.410 -3.019 1.00 0.00 C ATOM 0 H THR A 60 0.326 14.511 -5.282 1.00 0.00 H new ATOM 0 HA THR A 60 1.369 12.616 -3.326 1.00 0.00 H new ATOM 0 HB THR A 60 -0.764 11.444 -3.690 1.00 0.00 H new ATOM 0 HG1 THR A 60 -2.069 13.281 -5.239 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.362 13.176 -2.906 1.00 0.00 H new ATOM 0 HG22 THR A 60 -0.799 13.280 -2.062 1.00 0.00 H new ATOM 0 HG23 THR A 60 -1.194 14.443 -3.350 1.00 0.00 H new ATOM 944 N LEU A 61 1.386 10.460 -4.936 1.00 0.00 N ATOM 945 CA LEU A 61 1.798 9.350 -5.823 1.00 0.00 C ATOM 946 C LEU A 61 0.795 9.145 -6.985 1.00 0.00 C ATOM 947 O LEU A 61 1.010 8.290 -7.843 1.00 0.00 O ATOM 948 CB LEU A 61 1.929 8.038 -5.005 1.00 0.00 C ATOM 949 CG LEU A 61 2.824 8.102 -3.729 1.00 0.00 C ATOM 950 CD1 LEU A 61 2.943 6.713 -3.063 1.00 0.00 C ATOM 951 CD2 LEU A 61 4.214 8.709 -4.024 1.00 0.00 C ATOM 0 H LEU A 61 1.070 10.150 -4.017 1.00 0.00 H new ATOM 0 HA LEU A 61 2.764 9.611 -6.255 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.930 7.721 -4.706 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.326 7.264 -5.662 1.00 0.00 H new ATOM 0 HG LEU A 61 2.332 8.771 -3.023 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.572 6.787 -2.176 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.952 6.361 -2.776 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.389 6.009 -3.766 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.802 8.734 -3.107 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.727 8.099 -4.768 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.095 9.723 -4.406 1.00 0.00 H new ATOM 963 N GLY A 62 -0.320 9.907 -6.968 1.00 0.00 N ATOM 964 CA GLY A 62 -1.295 9.906 -8.059 1.00 0.00 C ATOM 965 C GLY A 62 -0.845 10.739 -9.257 1.00 0.00 C ATOM 966 O GLY A 62 -1.204 10.427 -10.399 1.00 0.00 O ATOM 0 H GLY A 62 -0.561 10.533 -6.199 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.471 8.880 -8.382 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.246 10.292 -7.691 1.00 0.00 H new ATOM 970 N ASP A 63 -0.060 11.803 -9.003 1.00 0.00 N ATOM 971 CA ASP A 63 0.511 12.658 -10.076 1.00 0.00 C ATOM 972 C ASP A 63 1.907 12.151 -10.441 1.00 0.00 C ATOM 973 O ASP A 63 2.236 11.986 -11.618 1.00 0.00 O ATOM 974 CB ASP A 63 0.576 14.137 -9.627 1.00 0.00 C ATOM 975 CG ASP A 63 1.007 15.103 -10.757 1.00 0.00 C ATOM 976 OD1 ASP A 63 2.218 15.307 -10.966 1.00 0.00 O ATOM 977 OD2 ASP A 63 0.127 15.664 -11.440 1.00 0.00 O ATOM 0 H ASP A 63 0.198 12.097 -8.061 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.135 12.602 -10.952 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.403 14.439 -9.254 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.275 14.226 -8.796 1.00 0.00 H new ATOM 982 N LEU A 64 2.722 11.935 -9.399 1.00 0.00 N ATOM 983 CA LEU A 64 4.048 11.308 -9.518 1.00 0.00 C ATOM 984 C LEU A 64 3.903 9.846 -10.017 1.00 0.00 C ATOM 985 O LEU A 64 3.054 9.122 -9.501 1.00 0.00 O ATOM 986 CB LEU A 64 4.759 11.319 -8.140 1.00 0.00 C ATOM 987 CG LEU A 64 5.191 12.704 -7.585 1.00 0.00 C ATOM 988 CD1 LEU A 64 5.646 12.596 -6.109 1.00 0.00 C ATOM 989 CD2 LEU A 64 6.296 13.334 -8.480 1.00 0.00 C ATOM 0 H LEU A 64 2.479 12.192 -8.442 1.00 0.00 H new ATOM 0 HA LEU A 64 4.642 11.873 -10.236 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.095 10.853 -7.412 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.646 10.690 -8.211 1.00 0.00 H new ATOM 0 HG LEU A 64 4.326 13.367 -7.609 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.943 13.580 -5.747 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.824 12.218 -5.501 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.493 11.913 -6.038 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.584 14.304 -8.074 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.165 12.677 -8.502 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.914 13.464 -9.493 1.00 0.00 H new ATOM 1001 N PRO A 65 4.707 9.395 -11.036 1.00 0.00 N ATOM 1002 CA PRO A 65 4.683 7.993 -11.518 1.00 0.00 C ATOM 1003 C PRO A 65 5.272 7.012 -10.475 1.00 0.00 C ATOM 1004 O PRO A 65 6.439 6.614 -10.557 1.00 0.00 O ATOM 1005 CB PRO A 65 5.520 8.034 -12.839 1.00 0.00 C ATOM 1006 CG PRO A 65 5.677 9.497 -13.156 1.00 0.00 C ATOM 1007 CD PRO A 65 5.665 10.206 -11.820 1.00 0.00 C ATOM 0 HA PRO A 65 3.671 7.626 -11.686 1.00 0.00 H new ATOM 0 HB2 PRO A 65 6.489 7.553 -12.707 1.00 0.00 H new ATOM 0 HB3 PRO A 65 5.010 7.508 -13.646 1.00 0.00 H new ATOM 0 HG2 PRO A 65 6.608 9.684 -13.691 1.00 0.00 H new ATOM 0 HG3 PRO A 65 4.866 9.849 -13.794 1.00 0.00 H new ATOM 0 HD2 PRO A 65 6.653 10.223 -11.361 1.00 0.00 H new ATOM 0 HD3 PRO A 65 5.339 11.242 -11.913 1.00 0.00 H new ATOM 1015 N ILE A 66 4.457 6.681 -9.456 1.00 0.00 N ATOM 1016 CA ILE A 66 4.769 5.660 -8.435 1.00 0.00 C ATOM 1017 C ILE A 66 3.630 4.628 -8.467 1.00 0.00 C ATOM 1018 O ILE A 66 2.459 4.994 -8.316 1.00 0.00 O ATOM 1019 CB ILE A 66 4.928 6.251 -6.961 1.00 0.00 C ATOM 1020 CG1 ILE A 66 6.300 6.987 -6.740 1.00 0.00 C ATOM 1021 CG2 ILE A 66 4.756 5.154 -5.874 1.00 0.00 C ATOM 1022 CD1 ILE A 66 6.461 8.320 -7.438 1.00 0.00 C ATOM 0 H ILE A 66 3.548 7.122 -9.316 1.00 0.00 H new ATOM 0 HA ILE A 66 5.736 5.218 -8.675 1.00 0.00 H new ATOM 0 HB ILE A 66 4.129 6.985 -6.860 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.438 7.141 -5.670 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.101 6.327 -7.073 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.872 5.599 -4.886 1.00 0.00 H new ATOM 0 HG22 ILE A 66 3.764 4.711 -5.958 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.512 4.381 -6.014 1.00 0.00 H new ATOM 0 HD11 ILE A 66 7.445 8.732 -7.213 1.00 0.00 H new ATOM 0 HD12 ILE A 66 6.364 8.181 -8.515 1.00 0.00 H new ATOM 0 HD13 ILE A 66 5.691 9.008 -7.090 1.00 0.00 H new ATOM 1034 N GLN A 67 3.983 3.355 -8.715 1.00 0.00 N ATOM 1035 CA GLN A 67 3.043 2.216 -8.657 1.00 0.00 C ATOM 1036 C GLN A 67 3.504 1.240 -7.564 1.00 0.00 C ATOM 1037 O GLN A 67 4.695 1.193 -7.234 1.00 0.00 O ATOM 1038 CB GLN A 67 2.968 1.494 -10.030 1.00 0.00 C ATOM 1039 CG GLN A 67 2.491 2.381 -11.204 1.00 0.00 C ATOM 1040 CD GLN A 67 1.053 2.898 -11.040 1.00 0.00 C ATOM 1041 OE1 GLN A 67 0.097 2.227 -11.413 1.00 0.00 O ATOM 1042 NE2 GLN A 67 0.893 4.111 -10.533 1.00 0.00 N ATOM 0 H GLN A 67 4.934 3.083 -8.963 1.00 0.00 H new ATOM 0 HA GLN A 67 2.046 2.586 -8.419 1.00 0.00 H new ATOM 0 HB2 GLN A 67 3.954 1.097 -10.270 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.295 0.642 -9.940 1.00 0.00 H new ATOM 0 HG2 GLN A 67 3.165 3.232 -11.303 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.560 1.811 -12.130 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.705 4.648 -10.230 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -0.043 4.508 -10.445 1.00 0.00 H new ATOM 1051 N SER A 68 2.554 0.464 -7.021 1.00 0.00 N ATOM 1052 CA SER A 68 2.810 -0.511 -5.949 1.00 0.00 C ATOM 1053 C SER A 68 3.733 -1.643 -6.456 1.00 0.00 C ATOM 1054 O SER A 68 3.312 -2.476 -7.266 1.00 0.00 O ATOM 1055 CB SER A 68 1.460 -1.083 -5.452 1.00 0.00 C ATOM 1056 OG SER A 68 1.617 -1.909 -4.309 1.00 0.00 O ATOM 0 H SER A 68 1.578 0.495 -7.316 1.00 0.00 H new ATOM 0 HA SER A 68 3.316 -0.016 -5.120 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.784 -0.261 -5.214 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.994 -1.658 -6.252 1.00 0.00 H new ATOM 0 HG SER A 68 0.742 -2.248 -4.027 1.00 0.00 H new ATOM 1062 N GLY A 69 5.004 -1.623 -6.005 1.00 0.00 N ATOM 1063 CA GLY A 69 5.998 -2.647 -6.368 1.00 0.00 C ATOM 1064 C GLY A 69 6.782 -2.324 -7.635 1.00 0.00 C ATOM 1065 O GLY A 69 7.481 -3.197 -8.171 1.00 0.00 O ATOM 0 H GLY A 69 5.366 -0.900 -5.383 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.697 -2.770 -5.541 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.490 -3.602 -6.500 1.00 0.00 H new ATOM 1069 N ASP A 70 6.683 -1.066 -8.105 1.00 0.00 N ATOM 1070 CA ASP A 70 7.388 -0.597 -9.320 1.00 0.00 C ATOM 1071 C ASP A 70 8.821 -0.158 -8.974 1.00 0.00 C ATOM 1072 O ASP A 70 9.148 0.080 -7.793 1.00 0.00 O ATOM 1073 CB ASP A 70 6.606 0.578 -9.969 1.00 0.00 C ATOM 1074 CG ASP A 70 7.104 0.943 -11.382 1.00 0.00 C ATOM 1075 OD1 ASP A 70 6.699 0.271 -12.353 1.00 0.00 O ATOM 1076 OD2 ASP A 70 7.916 1.882 -11.529 1.00 0.00 O ATOM 0 H ASP A 70 6.115 -0.346 -7.657 1.00 0.00 H new ATOM 0 HA ASP A 70 7.442 -1.420 -10.032 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.549 0.316 -10.021 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.685 1.455 -9.327 1.00 0.00 H new ATOM 1081 N MET A 71 9.664 -0.043 -10.016 1.00 0.00 N ATOM 1082 CA MET A 71 11.058 0.370 -9.871 1.00 0.00 C ATOM 1083 C MET A 71 11.189 1.896 -10.027 1.00 0.00 C ATOM 1084 O MET A 71 11.150 2.439 -11.144 1.00 0.00 O ATOM 1085 CB MET A 71 11.983 -0.356 -10.883 1.00 0.00 C ATOM 1086 CG MET A 71 13.493 -0.150 -10.640 1.00 0.00 C ATOM 1087 SD MET A 71 14.097 -0.927 -9.115 1.00 0.00 S ATOM 1088 CE MET A 71 13.828 0.323 -7.863 1.00 0.00 C ATOM 0 H MET A 71 9.391 -0.235 -10.980 1.00 0.00 H new ATOM 0 HA MET A 71 11.379 0.087 -8.868 1.00 0.00 H new ATOM 0 HB2 MET A 71 11.766 -1.424 -10.851 1.00 0.00 H new ATOM 0 HB3 MET A 71 11.740 -0.011 -11.888 1.00 0.00 H new ATOM 0 HG2 MET A 71 14.047 -0.554 -11.487 1.00 0.00 H new ATOM 0 HG3 MET A 71 13.704 0.919 -10.601 1.00 0.00 H new ATOM 0 HE1 MET A 71 14.631 0.280 -7.127 1.00 0.00 H new ATOM 0 HE2 MET A 71 13.816 1.308 -8.329 1.00 0.00 H new ATOM 0 HE3 MET A 71 12.873 0.144 -7.369 1.00 0.00 H new ATOM 1098 N LEU A 72 11.317 2.565 -8.876 1.00 0.00 N ATOM 1099 CA LEU A 72 11.581 4.010 -8.784 1.00 0.00 C ATOM 1100 C LEU A 72 13.063 4.206 -8.470 1.00 0.00 C ATOM 1101 O LEU A 72 13.550 3.675 -7.484 1.00 0.00 O ATOM 1102 CB LEU A 72 10.689 4.666 -7.674 1.00 0.00 C ATOM 1103 CG LEU A 72 9.247 5.099 -8.096 1.00 0.00 C ATOM 1104 CD1 LEU A 72 9.302 6.253 -9.105 1.00 0.00 C ATOM 1105 CD2 LEU A 72 8.413 3.922 -8.648 1.00 0.00 C ATOM 0 H LEU A 72 11.239 2.112 -7.965 1.00 0.00 H new ATOM 0 HA LEU A 72 11.335 4.493 -9.729 1.00 0.00 H new ATOM 0 HB2 LEU A 72 10.604 3.962 -6.846 1.00 0.00 H new ATOM 0 HB3 LEU A 72 11.210 5.544 -7.294 1.00 0.00 H new ATOM 0 HG LEU A 72 8.741 5.446 -7.195 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.288 6.539 -9.386 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.809 7.107 -8.654 1.00 0.00 H new ATOM 0 HD13 LEU A 72 9.848 5.934 -9.993 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.421 4.278 -8.926 1.00 0.00 H new ATOM 0 HD22 LEU A 72 8.908 3.505 -9.525 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.321 3.151 -7.883 1.00 0.00 H new ATOM 1117 N ILE A 73 13.781 4.952 -9.314 1.00 0.00 N ATOM 1118 CA ILE A 73 15.207 5.223 -9.115 1.00 0.00 C ATOM 1119 C ILE A 73 15.338 6.534 -8.320 1.00 0.00 C ATOM 1120 O ILE A 73 14.880 7.592 -8.764 1.00 0.00 O ATOM 1121 CB ILE A 73 16.019 5.305 -10.479 1.00 0.00 C ATOM 1122 CG1 ILE A 73 16.088 3.909 -11.215 1.00 0.00 C ATOM 1123 CG2 ILE A 73 17.457 5.857 -10.245 1.00 0.00 C ATOM 1124 CD1 ILE A 73 14.774 3.397 -11.799 1.00 0.00 C ATOM 0 H ILE A 73 13.391 5.384 -10.152 1.00 0.00 H new ATOM 0 HA ILE A 73 15.644 4.391 -8.562 1.00 0.00 H new ATOM 0 HB ILE A 73 15.477 5.996 -11.124 1.00 0.00 H new ATOM 0 HG12 ILE A 73 16.818 3.981 -12.021 1.00 0.00 H new ATOM 0 HG13 ILE A 73 16.464 3.167 -10.510 1.00 0.00 H new ATOM 0 HG21 ILE A 73 17.989 5.902 -11.195 1.00 0.00 H new ATOM 0 HG22 ILE A 73 17.397 6.857 -9.815 1.00 0.00 H new ATOM 0 HG23 ILE A 73 17.992 5.199 -9.561 1.00 0.00 H new ATOM 0 HD11 ILE A 73 14.941 2.433 -12.279 1.00 0.00 H new ATOM 0 HD12 ILE A 73 14.041 3.283 -11.000 1.00 0.00 H new ATOM 0 HD13 ILE A 73 14.401 4.109 -12.535 1.00 0.00 H new ATOM 1136 N VAL A 74 15.895 6.413 -7.111 1.00 0.00 N ATOM 1137 CA VAL A 74 16.317 7.547 -6.279 1.00 0.00 C ATOM 1138 C VAL A 74 17.749 7.925 -6.672 1.00 0.00 C ATOM 1139 O VAL A 74 18.682 7.153 -6.433 1.00 0.00 O ATOM 1140 CB VAL A 74 16.253 7.170 -4.747 1.00 0.00 C ATOM 1141 CG1 VAL A 74 16.898 8.246 -3.836 1.00 0.00 C ATOM 1142 CG2 VAL A 74 14.792 6.902 -4.330 1.00 0.00 C ATOM 0 H VAL A 74 16.069 5.508 -6.674 1.00 0.00 H new ATOM 0 HA VAL A 74 15.647 8.391 -6.442 1.00 0.00 H new ATOM 0 HB VAL A 74 16.840 6.261 -4.613 1.00 0.00 H new ATOM 0 HG11 VAL A 74 16.824 7.933 -2.795 1.00 0.00 H new ATOM 0 HG12 VAL A 74 17.947 8.369 -4.105 1.00 0.00 H new ATOM 0 HG13 VAL A 74 16.376 9.194 -3.967 1.00 0.00 H new ATOM 0 HG21 VAL A 74 14.757 6.643 -3.272 1.00 0.00 H new ATOM 0 HG22 VAL A 74 14.194 7.797 -4.504 1.00 0.00 H new ATOM 0 HG23 VAL A 74 14.391 6.077 -4.919 1.00 0.00 H new ATOM 1152 N GLU A 75 17.904 9.088 -7.309 1.00 0.00 N ATOM 1153 CA GLU A 75 19.225 9.615 -7.660 1.00 0.00 C ATOM 1154 C GLU A 75 19.890 10.205 -6.403 1.00 0.00 C ATOM 1155 O GLU A 75 19.221 10.811 -5.565 1.00 0.00 O ATOM 1156 CB GLU A 75 19.109 10.691 -8.780 1.00 0.00 C ATOM 1157 CG GLU A 75 18.245 11.920 -8.422 1.00 0.00 C ATOM 1158 CD GLU A 75 18.267 13.015 -9.501 1.00 0.00 C ATOM 1159 OE1 GLU A 75 17.522 12.902 -10.501 1.00 0.00 O ATOM 1160 OE2 GLU A 75 19.034 13.986 -9.366 1.00 0.00 O ATOM 0 H GLU A 75 17.127 9.685 -7.593 1.00 0.00 H new ATOM 0 HA GLU A 75 19.844 8.803 -8.043 1.00 0.00 H new ATOM 0 HB2 GLU A 75 20.111 11.034 -9.038 1.00 0.00 H new ATOM 0 HB3 GLU A 75 18.693 10.221 -9.672 1.00 0.00 H new ATOM 0 HG2 GLU A 75 17.216 11.598 -8.262 1.00 0.00 H new ATOM 0 HG3 GLU A 75 18.597 12.341 -7.480 1.00 0.00 H new ATOM 1167 N GLU A 76 21.189 9.954 -6.240 1.00 0.00 N ATOM 1168 CA GLU A 76 22.003 10.640 -5.232 1.00 0.00 C ATOM 1169 C GLU A 76 22.828 11.712 -5.952 1.00 0.00 C ATOM 1170 O GLU A 76 23.747 11.389 -6.716 1.00 0.00 O ATOM 1171 CB GLU A 76 22.917 9.652 -4.477 1.00 0.00 C ATOM 1172 CG GLU A 76 23.806 10.326 -3.405 1.00 0.00 C ATOM 1173 CD GLU A 76 24.794 9.367 -2.731 1.00 0.00 C ATOM 1174 OE1 GLU A 76 25.600 8.735 -3.447 1.00 0.00 O ATOM 1175 OE2 GLU A 76 24.790 9.255 -1.494 1.00 0.00 O ATOM 0 H GLU A 76 21.706 9.274 -6.798 1.00 0.00 H new ATOM 0 HA GLU A 76 21.358 11.098 -4.483 1.00 0.00 H new ATOM 0 HB2 GLU A 76 22.299 8.891 -3.999 1.00 0.00 H new ATOM 0 HB3 GLU A 76 23.555 9.139 -5.196 1.00 0.00 H new ATOM 0 HG2 GLU A 76 24.363 11.141 -3.868 1.00 0.00 H new ATOM 0 HG3 GLU A 76 23.166 10.770 -2.642 1.00 0.00 H new ATOM 1182 N ASP A 77 22.471 12.981 -5.732 1.00 0.00 N ATOM 1183 CA ASP A 77 23.124 14.127 -6.385 1.00 0.00 C ATOM 1184 C ASP A 77 24.482 14.452 -5.714 1.00 0.00 C ATOM 1185 O ASP A 77 25.350 15.077 -6.334 1.00 0.00 O ATOM 1186 CB ASP A 77 22.173 15.351 -6.352 1.00 0.00 C ATOM 1187 CG ASP A 77 22.649 16.522 -7.234 1.00 0.00 C ATOM 1188 OD1 ASP A 77 22.486 16.448 -8.468 1.00 0.00 O ATOM 1189 OD2 ASP A 77 23.192 17.514 -6.703 1.00 0.00 O ATOM 0 H ASP A 77 21.720 13.246 -5.095 1.00 0.00 H new ATOM 0 HA ASP A 77 23.333 13.872 -7.424 1.00 0.00 H new ATOM 0 HB2 ASP A 77 21.181 15.040 -6.679 1.00 0.00 H new ATOM 0 HB3 ASP A 77 22.075 15.698 -5.323 1.00 0.00 H new