USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 602 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 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 65:sc= -0.296 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 165:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 MET CE :methyl 171:sc= 0 (180deg=-0.0544) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.619 USER MOD Single : A 59 SER OG : rot 180:sc=3.38e-05 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.113 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000139) USER MOD Single : A 78 LYS NZ :NH3+ 171:sc= -0.808 (180deg=-1.1) USER MOD Single : A 80 GLN : amide:sc=-0.00736 X(o=-0.0074,f=-0.0074) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot -30:sc= -0.82 USER MOD ----------------------------------------------------------------- ATOM 74 N LYS A 6 6.845 10.267 -7.465 1.00 0.00 N ATOM 75 CA LYS A 6 7.554 8.995 -7.539 1.00 0.00 C ATOM 76 C LYS A 6 8.239 8.676 -6.215 1.00 0.00 C ATOM 77 O LYS A 6 9.095 9.427 -5.750 1.00 0.00 O ATOM 78 CB LYS A 6 8.589 9.031 -8.665 1.00 0.00 C ATOM 79 CG LYS A 6 8.001 8.763 -10.042 1.00 0.00 C ATOM 80 CD LYS A 6 8.679 9.602 -11.111 1.00 0.00 C ATOM 81 CE LYS A 6 10.039 9.036 -11.486 1.00 0.00 C ATOM 82 NZ LYS A 6 10.939 10.079 -12.050 1.00 0.00 N ATOM 0 HA LYS A 6 6.825 8.212 -7.748 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.074 10.007 -8.670 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.363 8.291 -8.459 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.109 7.706 -10.285 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.933 8.980 -10.031 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.045 9.645 -11.997 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.796 10.625 -10.752 1.00 0.00 H new ATOM 0 HE2 LYS A 6 10.504 8.594 -10.605 1.00 0.00 H new ATOM 0 HE3 LYS A 6 9.911 8.235 -12.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 11.856 9.652 -12.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.508 10.484 -12.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 11.083 10.831 -11.346 1.00 0.00 H new ATOM 96 N LEU A 7 7.857 7.552 -5.614 1.00 0.00 N ATOM 97 CA LEU A 7 8.437 7.130 -4.345 1.00 0.00 C ATOM 98 C LEU A 7 9.358 5.929 -4.542 1.00 0.00 C ATOM 99 O LEU A 7 9.194 5.158 -5.487 1.00 0.00 O ATOM 100 CB LEU A 7 7.329 6.785 -3.344 1.00 0.00 C ATOM 101 CG LEU A 7 7.486 7.414 -1.959 1.00 0.00 C ATOM 102 CD1 LEU A 7 8.648 6.778 -1.212 1.00 0.00 C ATOM 103 CD2 LEU A 7 7.682 8.917 -2.075 1.00 0.00 C ATOM 0 H LEU A 7 7.149 6.919 -5.986 1.00 0.00 H new ATOM 0 HA LEU A 7 9.028 7.956 -3.949 1.00 0.00 H new ATOM 0 HB2 LEU A 7 6.373 7.099 -3.762 1.00 0.00 H new ATOM 0 HB3 LEU A 7 7.287 5.702 -3.231 1.00 0.00 H new ATOM 0 HG LEU A 7 6.573 7.230 -1.392 1.00 0.00 H new ATOM 0 HD11 LEU A 7 8.744 7.238 -0.229 1.00 0.00 H new ATOM 0 HD12 LEU A 7 8.465 5.710 -1.096 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.569 6.929 -1.775 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.792 9.347 -1.080 1.00 0.00 H new ATOM 0 HD22 LEU A 7 8.578 9.123 -2.660 1.00 0.00 H new ATOM 0 HD23 LEU A 7 6.817 9.360 -2.568 1.00 0.00 H new ATOM 115 N HIS A 8 10.327 5.778 -3.645 1.00 0.00 N ATOM 116 CA HIS A 8 11.274 4.671 -3.723 1.00 0.00 C ATOM 117 C HIS A 8 10.801 3.491 -2.880 1.00 0.00 C ATOM 118 O HIS A 8 10.162 3.671 -1.843 1.00 0.00 O ATOM 119 CB HIS A 8 12.660 5.126 -3.261 1.00 0.00 C ATOM 120 CG HIS A 8 13.659 5.211 -4.373 1.00 0.00 C ATOM 121 ND1 HIS A 8 14.677 4.296 -4.542 1.00 0.00 N ATOM 122 CD2 HIS A 8 13.793 6.108 -5.378 1.00 0.00 C ATOM 123 CE1 HIS A 8 15.394 4.628 -5.602 1.00 0.00 C ATOM 124 NE2 HIS A 8 14.877 5.723 -6.127 1.00 0.00 N ATOM 0 H HIS A 8 10.477 6.407 -2.856 1.00 0.00 H new ATOM 0 HA HIS A 8 11.335 4.348 -4.762 1.00 0.00 H new ATOM 0 HB2 HIS A 8 12.574 6.103 -2.785 1.00 0.00 H new ATOM 0 HB3 HIS A 8 13.028 4.434 -2.504 1.00 0.00 H new ATOM 0 HD2 HIS A 8 13.164 6.967 -5.557 1.00 0.00 H new ATOM 0 HE1 HIS A 8 16.256 4.094 -5.975 1.00 0.00 H new ATOM 0 HE2 HIS A 8 15.226 6.205 -6.955 1.00 0.00 H new ATOM 133 N LYS A 9 11.117 2.283 -3.335 1.00 0.00 N ATOM 134 CA LYS A 9 10.724 1.072 -2.625 1.00 0.00 C ATOM 135 C LYS A 9 11.541 0.894 -1.348 1.00 0.00 C ATOM 136 O LYS A 9 12.769 0.837 -1.388 1.00 0.00 O ATOM 137 CB LYS A 9 10.895 -0.152 -3.527 1.00 0.00 C ATOM 138 CG LYS A 9 12.245 -0.212 -4.224 1.00 0.00 C ATOM 139 CD LYS A 9 13.006 -1.478 -3.866 1.00 0.00 C ATOM 140 CE LYS A 9 14.480 -1.361 -4.224 1.00 0.00 C ATOM 141 NZ LYS A 9 15.142 -2.693 -4.288 1.00 0.00 N ATOM 0 H LYS A 9 11.644 2.117 -4.192 1.00 0.00 H new ATOM 0 HA LYS A 9 9.674 1.170 -2.350 1.00 0.00 H new ATOM 0 HB2 LYS A 9 10.764 -1.054 -2.929 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.107 -0.151 -4.280 1.00 0.00 H new ATOM 0 HG2 LYS A 9 12.100 -0.168 -5.303 1.00 0.00 H new ATOM 0 HG3 LYS A 9 12.837 0.660 -3.946 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.904 -1.676 -2.799 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.569 -2.327 -4.391 1.00 0.00 H new ATOM 0 HE2 LYS A 9 14.581 -0.858 -5.186 1.00 0.00 H new ATOM 0 HE3 LYS A 9 14.985 -0.739 -3.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 16.145 -2.571 -4.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 15.068 -3.162 -3.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 14.677 -3.278 -5.011 1.00 0.00 H new ATOM 155 N GLU A 10 10.847 0.803 -0.219 1.00 0.00 N ATOM 156 CA GLU A 10 11.498 0.627 1.073 1.00 0.00 C ATOM 157 C GLU A 10 10.637 -0.236 1.993 1.00 0.00 C ATOM 158 O GLU A 10 9.437 0.001 2.129 1.00 0.00 O ATOM 159 CB GLU A 10 11.764 1.987 1.724 1.00 0.00 C ATOM 160 CG GLU A 10 13.225 2.221 2.071 1.00 0.00 C ATOM 161 CD GLU A 10 13.897 3.206 1.135 1.00 0.00 C ATOM 162 OE1 GLU A 10 13.907 2.951 -0.087 1.00 0.00 O ATOM 163 OE2 GLU A 10 14.412 4.233 1.624 1.00 0.00 O ATOM 0 H GLU A 10 9.829 0.849 -0.173 1.00 0.00 H new ATOM 0 HA GLU A 10 12.450 0.122 0.912 1.00 0.00 H new ATOM 0 HB2 GLU A 10 11.429 2.775 1.049 1.00 0.00 H new ATOM 0 HB3 GLU A 10 11.166 2.069 2.632 1.00 0.00 H new ATOM 0 HG2 GLU A 10 13.297 2.591 3.094 1.00 0.00 H new ATOM 0 HG3 GLU A 10 13.759 1.271 2.037 1.00 0.00 H new ATOM 170 N PRO A 11 11.234 -1.257 2.638 1.00 0.00 N ATOM 171 CA PRO A 11 10.502 -2.148 3.536 1.00 0.00 C ATOM 172 C PRO A 11 10.281 -1.541 4.917 1.00 0.00 C ATOM 173 O PRO A 11 10.831 -0.487 5.240 1.00 0.00 O ATOM 174 CB PRO A 11 11.413 -3.365 3.625 1.00 0.00 C ATOM 175 CG PRO A 11 12.786 -2.806 3.476 1.00 0.00 C ATOM 176 CD PRO A 11 12.660 -1.628 2.541 1.00 0.00 C ATOM 0 HA PRO A 11 9.500 -2.367 3.168 1.00 0.00 H new ATOM 0 HB2 PRO A 11 11.295 -3.882 4.577 1.00 0.00 H new ATOM 0 HB3 PRO A 11 11.190 -4.088 2.840 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.187 -2.496 4.441 1.00 0.00 H new ATOM 0 HG3 PRO A 11 13.469 -3.553 3.072 1.00 0.00 H new ATOM 0 HD2 PRO A 11 13.309 -0.806 2.842 1.00 0.00 H new ATOM 0 HD3 PRO A 11 12.936 -1.895 1.521 1.00 0.00 H new ATOM 184 N ALA A 12 9.469 -2.213 5.724 1.00 0.00 N ATOM 185 CA ALA A 12 9.166 -1.747 7.071 1.00 0.00 C ATOM 186 C ALA A 12 8.790 -2.923 7.980 1.00 0.00 C ATOM 187 O ALA A 12 9.446 -3.965 7.951 1.00 0.00 O ATOM 188 CB ALA A 12 8.053 -0.707 7.019 1.00 0.00 C ATOM 0 H ALA A 12 9.007 -3.086 5.467 1.00 0.00 H new ATOM 0 HA ALA A 12 10.055 -1.279 7.494 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.830 -0.362 8.029 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.373 0.138 6.409 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.159 -1.152 6.582 1.00 0.00 H new ATOM 194 N THR A 13 7.741 -2.759 8.786 1.00 0.00 N ATOM 195 CA THR A 13 7.301 -3.815 9.690 1.00 0.00 C ATOM 196 C THR A 13 5.871 -3.563 10.163 1.00 0.00 C ATOM 197 O THR A 13 5.257 -2.559 9.803 1.00 0.00 O ATOM 198 CB THR A 13 8.244 -3.912 10.891 1.00 0.00 C ATOM 199 OG1 THR A 13 7.746 -4.826 11.854 1.00 0.00 O ATOM 200 CG2 THR A 13 8.472 -2.584 11.582 1.00 0.00 C ATOM 0 H THR A 13 7.183 -1.906 8.830 1.00 0.00 H new ATOM 0 HA THR A 13 7.322 -4.760 9.147 1.00 0.00 H new ATOM 0 HB THR A 13 9.194 -4.256 10.483 1.00 0.00 H new ATOM 0 HG1 THR A 13 7.734 -5.729 11.473 1.00 0.00 H new ATOM 0 HG21 THR A 13 9.150 -2.724 12.424 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.910 -1.878 10.877 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.520 -2.193 11.943 1.00 0.00 H new ATOM 208 N LEU A 14 5.347 -4.480 10.970 1.00 0.00 N ATOM 209 CA LEU A 14 3.988 -4.351 11.491 1.00 0.00 C ATOM 210 C LEU A 14 3.993 -3.753 12.895 1.00 0.00 C ATOM 211 O LEU A 14 4.147 -4.465 13.886 1.00 0.00 O ATOM 212 CB LEU A 14 3.256 -5.703 11.496 1.00 0.00 C ATOM 213 CG LEU A 14 4.129 -6.954 11.664 1.00 0.00 C ATOM 214 CD1 LEU A 14 4.937 -7.226 10.403 1.00 0.00 C ATOM 215 CD2 LEU A 14 5.039 -6.824 12.878 1.00 0.00 C ATOM 0 H LEU A 14 5.840 -5.318 11.277 1.00 0.00 H new ATOM 0 HA LEU A 14 3.451 -3.675 10.826 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.521 -5.690 12.300 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.704 -5.795 10.561 1.00 0.00 H new ATOM 0 HG LEU A 14 3.469 -7.805 11.830 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.547 -8.117 10.547 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.260 -7.382 9.563 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.583 -6.374 10.194 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.647 -7.723 12.975 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.689 -5.958 12.754 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.433 -6.698 13.775 1.00 0.00 H new ATOM 227 N ILE A 15 3.820 -2.437 12.969 1.00 0.00 N ATOM 228 CA ILE A 15 3.804 -1.738 14.249 1.00 0.00 C ATOM 229 C ILE A 15 2.408 -1.755 14.864 1.00 0.00 C ATOM 230 O ILE A 15 2.175 -2.411 15.880 1.00 0.00 O ATOM 231 CB ILE A 15 4.274 -0.277 14.106 1.00 0.00 C ATOM 232 CG1 ILE A 15 5.411 -0.175 13.085 1.00 0.00 C ATOM 233 CG2 ILE A 15 4.717 0.270 15.456 1.00 0.00 C ATOM 234 CD1 ILE A 15 5.943 1.232 12.909 1.00 0.00 C ATOM 0 H ILE A 15 3.689 -1.833 12.157 1.00 0.00 H new ATOM 0 HA ILE A 15 4.496 -2.267 14.904 1.00 0.00 H new ATOM 0 HB ILE A 15 3.437 0.322 13.747 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.227 -0.827 13.396 1.00 0.00 H new ATOM 0 HG13 ILE A 15 5.058 -0.544 12.122 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.046 1.303 15.340 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.882 0.232 16.156 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.540 -0.332 15.840 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.746 1.228 12.171 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.140 1.885 12.567 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.327 1.597 13.861 1.00 0.00 H new ATOM 246 N LYS A 16 1.480 -1.037 14.239 1.00 0.00 N ATOM 247 CA LYS A 16 0.106 -0.977 14.723 1.00 0.00 C ATOM 248 C LYS A 16 -0.827 -1.720 13.773 1.00 0.00 C ATOM 249 O LYS A 16 -0.425 -2.111 12.677 1.00 0.00 O ATOM 250 CB LYS A 16 -0.346 0.479 14.876 1.00 0.00 C ATOM 251 CG LYS A 16 -1.584 0.645 15.742 1.00 0.00 C ATOM 252 CD LYS A 16 -1.513 1.910 16.583 1.00 0.00 C ATOM 253 CE LYS A 16 -2.418 3.000 16.031 1.00 0.00 C ATOM 254 NZ LYS A 16 -3.724 3.053 16.744 1.00 0.00 N ATOM 0 H LYS A 16 1.655 -0.489 13.397 1.00 0.00 H new ATOM 0 HA LYS A 16 0.065 -1.459 15.700 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.469 1.060 15.307 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.546 0.894 13.888 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.470 0.678 15.108 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.691 -0.221 16.395 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.801 1.682 17.609 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.485 2.270 16.613 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.918 3.965 16.117 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.591 2.825 14.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.311 3.809 16.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.213 2.141 16.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.561 3.246 17.753 1.00 0.00 H new ATOM 268 N ALA A 17 -2.068 -1.923 14.200 1.00 0.00 N ATOM 269 CA ALA A 17 -3.046 -2.632 13.385 1.00 0.00 C ATOM 270 C ALA A 17 -3.779 -1.693 12.433 1.00 0.00 C ATOM 271 O ALA A 17 -3.995 -0.520 12.739 1.00 0.00 O ATOM 272 CB ALA A 17 -4.036 -3.371 14.270 1.00 0.00 C ATOM 0 H ALA A 17 -2.420 -1.607 15.104 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.504 -3.356 12.777 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -4.760 -3.896 13.647 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.502 -4.091 14.891 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.557 -2.657 14.908 1.00 0.00 H new ATOM 278 N ILE A 18 -4.157 -2.227 11.275 1.00 0.00 N ATOM 279 CA ILE A 18 -4.865 -1.451 10.266 1.00 0.00 C ATOM 280 C ILE A 18 -6.308 -1.927 10.117 1.00 0.00 C ATOM 281 O ILE A 18 -6.559 -3.079 9.765 1.00 0.00 O ATOM 282 CB ILE A 18 -4.155 -1.536 8.896 1.00 0.00 C ATOM 283 CG1 ILE A 18 -4.933 -0.759 7.830 1.00 0.00 C ATOM 284 CG2 ILE A 18 -3.982 -2.988 8.474 1.00 0.00 C ATOM 285 CD1 ILE A 18 -5.123 0.705 8.159 1.00 0.00 C ATOM 0 H ILE A 18 -3.983 -3.197 11.013 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.865 -0.414 10.602 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.168 -1.083 8.996 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -4.409 -0.843 6.878 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -5.911 -1.222 7.698 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -3.480 -3.029 7.507 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.382 -3.514 9.217 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -4.960 -3.463 8.396 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.682 1.188 7.358 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.674 0.799 9.094 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.149 1.184 8.262 1.00 0.00 H new ATOM 297 N ASP A 19 -7.252 -1.030 10.384 1.00 0.00 N ATOM 298 CA ASP A 19 -8.670 -1.358 10.275 1.00 0.00 C ATOM 299 C ASP A 19 -9.349 -0.487 9.223 1.00 0.00 C ATOM 300 O ASP A 19 -10.542 -0.199 9.317 1.00 0.00 O ATOM 301 CB ASP A 19 -9.363 -1.178 11.627 1.00 0.00 C ATOM 302 CG ASP A 19 -10.658 -1.961 11.720 1.00 0.00 C ATOM 303 OD1 ASP A 19 -10.613 -3.202 11.586 1.00 0.00 O ATOM 304 OD2 ASP A 19 -11.718 -1.333 11.926 1.00 0.00 O ATOM 0 H ASP A 19 -7.062 -0.072 10.677 1.00 0.00 H new ATOM 0 HA ASP A 19 -8.754 -2.401 9.968 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -8.690 -1.498 12.423 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -9.569 -0.120 11.789 1.00 0.00 H new ATOM 309 N GLY A 20 -8.580 -0.067 8.223 1.00 0.00 N ATOM 310 CA GLY A 20 -9.125 0.770 7.171 1.00 0.00 C ATOM 311 C GLY A 20 -9.290 2.212 7.609 1.00 0.00 C ATOM 312 O GLY A 20 -10.264 2.873 7.249 1.00 0.00 O ATOM 0 H GLY A 20 -7.590 -0.291 8.123 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.469 0.730 6.301 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -10.092 0.375 6.860 1.00 0.00 H new ATOM 316 N ASP A 21 -8.332 2.702 8.391 1.00 0.00 N ATOM 317 CA ASP A 21 -8.370 4.073 8.884 1.00 0.00 C ATOM 318 C ASP A 21 -6.961 4.640 9.019 1.00 0.00 C ATOM 319 O ASP A 21 -6.676 5.738 8.541 1.00 0.00 O ATOM 320 CB ASP A 21 -9.089 4.131 10.235 1.00 0.00 C ATOM 321 CG ASP A 21 -10.508 3.602 10.156 1.00 0.00 C ATOM 322 OD1 ASP A 21 -11.336 4.225 9.459 1.00 0.00 O ATOM 323 OD2 ASP A 21 -10.791 2.564 10.791 1.00 0.00 O ATOM 0 H ASP A 21 -7.519 2.168 8.697 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.918 4.679 8.163 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.528 3.551 10.968 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.107 5.161 10.590 1.00 0.00 H new ATOM 328 N THR A 22 -6.081 3.884 9.669 1.00 0.00 N ATOM 329 CA THR A 22 -4.701 4.314 9.864 1.00 0.00 C ATOM 330 C THR A 22 -3.784 3.122 10.127 1.00 0.00 C ATOM 331 O THR A 22 -4.145 2.195 10.852 1.00 0.00 O ATOM 332 CB THR A 22 -4.612 5.301 11.028 1.00 0.00 C ATOM 333 OG1 THR A 22 -5.114 4.720 12.218 1.00 0.00 O ATOM 334 CG2 THR A 22 -5.377 6.584 10.785 1.00 0.00 C ATOM 0 H THR A 22 -6.299 2.971 10.069 1.00 0.00 H new ATOM 0 HA THR A 22 -4.372 4.806 8.949 1.00 0.00 H new ATOM 0 HB THR A 22 -3.553 5.541 11.122 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.047 5.367 12.951 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.272 7.239 11.650 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.980 7.083 9.901 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.431 6.355 10.629 1.00 0.00 H new ATOM 342 N VAL A 23 -2.593 3.159 9.537 1.00 0.00 N ATOM 343 CA VAL A 23 -1.616 2.089 9.708 1.00 0.00 C ATOM 344 C VAL A 23 -0.204 2.657 9.790 1.00 0.00 C ATOM 345 O VAL A 23 0.306 3.220 8.821 1.00 0.00 O ATOM 346 CB VAL A 23 -1.688 1.068 8.554 1.00 0.00 C ATOM 347 CG1 VAL A 23 -1.352 1.730 7.227 1.00 0.00 C ATOM 348 CG2 VAL A 23 -0.761 -0.109 8.822 1.00 0.00 C ATOM 0 H VAL A 23 -2.281 3.921 8.935 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.857 1.579 10.640 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.709 0.691 8.494 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.409 0.992 6.427 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.063 2.533 7.031 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.343 2.141 7.270 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.826 -0.818 7.997 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.265 0.249 8.913 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.057 -0.602 9.748 1.00 0.00 H new ATOM 358 N LYS A 24 0.421 2.512 10.951 1.00 0.00 N ATOM 359 CA LYS A 24 1.774 3.021 11.156 1.00 0.00 C ATOM 360 C LYS A 24 2.822 1.967 10.816 1.00 0.00 C ATOM 361 O LYS A 24 2.792 0.854 11.341 1.00 0.00 O ATOM 362 CB LYS A 24 1.953 3.490 12.600 1.00 0.00 C ATOM 363 CG LYS A 24 1.610 2.429 13.633 1.00 0.00 C ATOM 364 CD LYS A 24 2.576 2.460 14.806 1.00 0.00 C ATOM 365 CE LYS A 24 2.428 3.738 15.617 1.00 0.00 C ATOM 366 NZ LYS A 24 2.747 3.523 17.056 1.00 0.00 N ATOM 0 H LYS A 24 0.016 2.048 11.764 1.00 0.00 H new ATOM 0 HA LYS A 24 1.915 3.868 10.485 1.00 0.00 H new ATOM 0 HB2 LYS A 24 2.986 3.805 12.745 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.326 4.365 12.769 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.593 2.586 13.993 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.634 1.444 13.166 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.398 1.598 15.448 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.599 2.378 14.438 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.087 4.505 15.210 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.408 4.111 15.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.634 4.418 17.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.102 2.810 17.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.728 3.191 17.148 1.00 0.00 H new ATOM 380 N LEU A 25 3.751 2.332 9.940 1.00 0.00 N ATOM 381 CA LEU A 25 4.819 1.428 9.529 1.00 0.00 C ATOM 382 C LEU A 25 6.183 2.064 9.771 1.00 0.00 C ATOM 383 O LEU A 25 6.302 3.287 9.842 1.00 0.00 O ATOM 384 CB LEU A 25 4.666 1.060 8.051 1.00 0.00 C ATOM 385 CG LEU A 25 3.330 0.416 7.677 1.00 0.00 C ATOM 386 CD1 LEU A 25 3.098 0.501 6.178 1.00 0.00 C ATOM 387 CD2 LEU A 25 3.289 -1.030 8.145 1.00 0.00 C ATOM 0 H LEU A 25 3.786 3.251 9.499 1.00 0.00 H new ATOM 0 HA LEU A 25 4.748 0.520 10.127 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.797 1.962 7.453 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.470 0.377 7.778 1.00 0.00 H new ATOM 0 HG LEU A 25 2.531 0.962 8.178 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.143 0.038 5.931 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.085 1.547 5.871 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.900 -0.020 5.656 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.332 -1.474 7.871 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.097 -1.589 7.672 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.409 -1.066 9.228 1.00 0.00 H new ATOM 399 N MET A 26 7.210 1.231 9.897 1.00 0.00 N ATOM 400 CA MET A 26 8.563 1.720 10.134 1.00 0.00 C ATOM 401 C MET A 26 9.141 2.355 8.873 1.00 0.00 C ATOM 402 O MET A 26 9.616 1.658 7.977 1.00 0.00 O ATOM 403 CB MET A 26 9.465 0.578 10.609 1.00 0.00 C ATOM 404 CG MET A 26 10.021 0.788 12.009 1.00 0.00 C ATOM 405 SD MET A 26 11.813 0.592 12.085 1.00 0.00 S ATOM 406 CE MET A 26 11.947 -1.119 12.598 1.00 0.00 C ATOM 0 H MET A 26 7.132 0.216 9.839 1.00 0.00 H new ATOM 0 HA MET A 26 8.517 2.482 10.912 1.00 0.00 H new ATOM 0 HB2 MET A 26 8.900 -0.354 10.587 1.00 0.00 H new ATOM 0 HB3 MET A 26 10.294 0.465 9.910 1.00 0.00 H new ATOM 0 HG2 MET A 26 9.754 1.787 12.355 1.00 0.00 H new ATOM 0 HG3 MET A 26 9.553 0.078 12.691 1.00 0.00 H new ATOM 0 HE1 MET A 26 12.999 -1.390 12.689 1.00 0.00 H new ATOM 0 HE2 MET A 26 11.454 -1.250 13.561 1.00 0.00 H new ATOM 0 HE3 MET A 26 11.470 -1.760 11.856 1.00 0.00 H new ATOM 416 N TYR A 27 9.104 3.683 8.813 1.00 0.00 N ATOM 417 CA TYR A 27 9.628 4.412 7.665 1.00 0.00 C ATOM 418 C TYR A 27 10.674 5.431 8.105 1.00 0.00 C ATOM 419 O TYR A 27 10.347 6.447 8.719 1.00 0.00 O ATOM 420 CB TYR A 27 8.494 5.118 6.919 1.00 0.00 C ATOM 421 CG TYR A 27 8.948 5.833 5.666 1.00 0.00 C ATOM 422 CD1 TYR A 27 9.606 7.054 5.739 1.00 0.00 C ATOM 423 CD2 TYR A 27 8.720 5.285 4.411 1.00 0.00 C ATOM 424 CE1 TYR A 27 10.022 7.710 4.596 1.00 0.00 C ATOM 425 CE2 TYR A 27 9.135 5.934 3.262 1.00 0.00 C ATOM 426 CZ TYR A 27 9.785 7.146 3.361 1.00 0.00 C ATOM 427 OH TYR A 27 10.200 7.795 2.222 1.00 0.00 O ATOM 0 H TYR A 27 8.716 4.276 9.547 1.00 0.00 H new ATOM 0 HA TYR A 27 10.101 3.695 6.994 1.00 0.00 H new ATOM 0 HB2 TYR A 27 7.733 4.384 6.653 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.023 5.838 7.588 1.00 0.00 H new ATOM 0 HD1 TYR A 27 9.796 7.498 6.705 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.210 4.336 4.330 1.00 0.00 H new ATOM 0 HE1 TYR A 27 10.530 8.660 4.670 1.00 0.00 H new ATOM 0 HE2 TYR A 27 8.951 5.494 2.293 1.00 0.00 H new ATOM 0 HH TYR A 27 10.179 7.173 1.465 1.00 0.00 H new ATOM 437 N LYS A 28 11.935 5.150 7.790 1.00 0.00 N ATOM 438 CA LYS A 28 13.032 6.039 8.154 1.00 0.00 C ATOM 439 C LYS A 28 13.156 6.164 9.671 1.00 0.00 C ATOM 440 O LYS A 28 13.693 7.150 10.179 1.00 0.00 O ATOM 441 CB LYS A 28 12.825 7.422 7.532 1.00 0.00 C ATOM 442 CG LYS A 28 13.478 7.578 6.167 1.00 0.00 C ATOM 443 CD LYS A 28 14.408 8.780 6.124 1.00 0.00 C ATOM 444 CE LYS A 28 15.821 8.406 6.540 1.00 0.00 C ATOM 445 NZ LYS A 28 16.846 9.181 5.789 1.00 0.00 N ATOM 0 H LYS A 28 12.222 4.313 7.283 1.00 0.00 H new ATOM 0 HA LYS A 28 13.956 5.608 7.768 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.756 7.613 7.438 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.226 8.179 8.206 1.00 0.00 H new ATOM 0 HG2 LYS A 28 14.039 6.675 5.926 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.707 7.687 5.405 1.00 0.00 H new ATOM 0 HD2 LYS A 28 14.422 9.195 5.116 1.00 0.00 H new ATOM 0 HD3 LYS A 28 14.028 9.560 6.784 1.00 0.00 H new ATOM 0 HE2 LYS A 28 15.943 8.583 7.609 1.00 0.00 H new ATOM 0 HE3 LYS A 28 15.978 7.340 6.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 17.796 8.896 6.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 16.747 8.993 4.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 16.713 10.197 5.968 1.00 0.00 H new ATOM 459 N GLY A 29 12.660 5.161 10.389 1.00 0.00 N ATOM 460 CA GLY A 29 12.731 5.183 11.838 1.00 0.00 C ATOM 461 C GLY A 29 11.523 5.841 12.479 1.00 0.00 C ATOM 462 O GLY A 29 11.310 5.714 13.686 1.00 0.00 O ATOM 0 H GLY A 29 12.211 4.335 9.994 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.821 4.162 12.208 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.633 5.713 12.144 1.00 0.00 H new ATOM 466 N GLN A 30 10.731 6.550 11.680 1.00 0.00 N ATOM 467 CA GLN A 30 9.543 7.227 12.189 1.00 0.00 C ATOM 468 C GLN A 30 8.268 6.563 11.672 1.00 0.00 C ATOM 469 O GLN A 30 8.222 6.087 10.538 1.00 0.00 O ATOM 470 CB GLN A 30 9.563 8.704 11.788 1.00 0.00 C ATOM 471 CG GLN A 30 9.186 9.646 12.919 1.00 0.00 C ATOM 472 CD GLN A 30 9.865 10.996 12.804 1.00 0.00 C ATOM 473 OE1 GLN A 30 10.979 11.188 13.293 1.00 0.00 O ATOM 474 NE2 GLN A 30 9.196 11.942 12.154 1.00 0.00 N ATOM 0 H GLN A 30 10.890 6.670 10.680 1.00 0.00 H new ATOM 0 HA GLN A 30 9.551 7.151 13.276 1.00 0.00 H new ATOM 0 HB2 GLN A 30 10.560 8.961 11.429 1.00 0.00 H new ATOM 0 HB3 GLN A 30 8.876 8.855 10.956 1.00 0.00 H new ATOM 0 HG2 GLN A 30 8.105 9.786 12.925 1.00 0.00 H new ATOM 0 HG3 GLN A 30 9.453 9.189 13.872 1.00 0.00 H new ATOM 0 HE21 GLN A 30 8.275 11.739 11.765 1.00 0.00 H new ATOM 0 HE22 GLN A 30 9.603 12.871 12.044 1.00 0.00 H new ATOM 483 N PRO A 31 7.209 6.525 12.502 1.00 0.00 N ATOM 484 CA PRO A 31 5.929 5.918 12.120 1.00 0.00 C ATOM 485 C PRO A 31 5.155 6.781 11.129 1.00 0.00 C ATOM 486 O PRO A 31 5.295 8.003 11.115 1.00 0.00 O ATOM 487 CB PRO A 31 5.177 5.824 13.447 1.00 0.00 C ATOM 488 CG PRO A 31 5.730 6.935 14.271 1.00 0.00 C ATOM 489 CD PRO A 31 7.174 7.072 13.873 1.00 0.00 C ATOM 0 HA PRO A 31 6.062 4.959 11.620 1.00 0.00 H new ATOM 0 HB2 PRO A 31 4.102 5.934 13.302 1.00 0.00 H new ATOM 0 HB3 PRO A 31 5.337 4.858 13.926 1.00 0.00 H new ATOM 0 HG2 PRO A 31 5.186 7.862 14.090 1.00 0.00 H new ATOM 0 HG3 PRO A 31 5.638 6.714 15.334 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.500 8.112 13.898 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.829 6.516 14.543 1.00 0.00 H new ATOM 497 N MET A 32 4.340 6.138 10.300 1.00 0.00 N ATOM 498 CA MET A 32 3.547 6.851 9.306 1.00 0.00 C ATOM 499 C MET A 32 2.190 6.181 9.102 1.00 0.00 C ATOM 500 O MET A 32 2.108 5.057 8.612 1.00 0.00 O ATOM 501 CB MET A 32 4.306 6.919 7.978 1.00 0.00 C ATOM 502 CG MET A 32 4.847 8.302 7.658 1.00 0.00 C ATOM 503 SD MET A 32 3.633 9.350 6.833 1.00 0.00 S ATOM 504 CE MET A 32 3.899 8.894 5.122 1.00 0.00 C ATOM 0 H MET A 32 4.211 5.126 10.297 1.00 0.00 H new ATOM 0 HA MET A 32 3.374 7.863 9.672 1.00 0.00 H new ATOM 0 HB2 MET A 32 5.134 6.211 8.006 1.00 0.00 H new ATOM 0 HB3 MET A 32 3.643 6.602 7.173 1.00 0.00 H new ATOM 0 HG2 MET A 32 5.170 8.784 8.581 1.00 0.00 H new ATOM 0 HG3 MET A 32 5.728 8.205 7.024 1.00 0.00 H new ATOM 0 HE1 MET A 32 3.118 9.335 4.502 1.00 0.00 H new ATOM 0 HE2 MET A 32 4.872 9.260 4.795 1.00 0.00 H new ATOM 0 HE3 MET A 32 3.869 7.809 5.026 1.00 0.00 H new ATOM 514 N THR A 33 1.124 6.883 9.486 1.00 0.00 N ATOM 515 CA THR A 33 -0.229 6.358 9.349 1.00 0.00 C ATOM 516 C THR A 33 -0.836 6.726 7.995 1.00 0.00 C ATOM 517 O THR A 33 -1.535 7.733 7.870 1.00 0.00 O ATOM 518 CB THR A 33 -1.119 6.884 10.477 1.00 0.00 C ATOM 519 OG1 THR A 33 -1.054 8.299 10.550 1.00 0.00 O ATOM 520 CG2 THR A 33 -0.748 6.335 11.839 1.00 0.00 C ATOM 0 H THR A 33 1.174 7.816 9.894 1.00 0.00 H new ATOM 0 HA THR A 33 -0.171 5.271 9.412 1.00 0.00 H new ATOM 0 HB THR A 33 -2.126 6.548 10.231 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.631 8.616 11.276 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.418 6.748 12.593 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.838 5.249 11.830 1.00 0.00 H new ATOM 0 HG23 THR A 33 0.279 6.612 12.076 1.00 0.00 H new ATOM 528 N PHE A 34 -0.573 5.896 6.991 1.00 0.00 N ATOM 529 CA PHE A 34 -1.098 6.115 5.646 1.00 0.00 C ATOM 530 C PHE A 34 -1.501 4.784 5.018 1.00 0.00 C ATOM 531 O PHE A 34 -0.667 3.898 4.848 1.00 0.00 O ATOM 532 CB PHE A 34 -0.060 6.818 4.771 1.00 0.00 C ATOM 533 CG PHE A 34 1.190 6.015 4.547 1.00 0.00 C ATOM 534 CD1 PHE A 34 1.993 5.644 5.614 1.00 0.00 C ATOM 535 CD2 PHE A 34 1.562 5.633 3.268 1.00 0.00 C ATOM 536 CE1 PHE A 34 3.143 4.906 5.407 1.00 0.00 C ATOM 537 CE2 PHE A 34 2.712 4.897 3.056 1.00 0.00 C ATOM 538 CZ PHE A 34 3.504 4.532 4.128 1.00 0.00 C ATOM 0 H PHE A 34 0.004 5.060 7.084 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.978 6.754 5.717 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.510 7.049 3.805 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.208 7.768 5.234 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.717 5.934 6.617 1.00 0.00 H new ATOM 0 HD2 PHE A 34 0.946 5.914 2.427 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.760 4.622 6.247 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.992 4.607 2.054 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.403 3.956 3.966 1.00 0.00 H new ATOM 548 N ARG A 35 -2.784 4.640 4.688 1.00 0.00 N ATOM 549 CA ARG A 35 -3.275 3.397 4.093 1.00 0.00 C ATOM 550 C ARG A 35 -4.292 3.647 2.975 1.00 0.00 C ATOM 551 O ARG A 35 -5.353 4.227 3.201 1.00 0.00 O ATOM 552 CB ARG A 35 -3.878 2.490 5.180 1.00 0.00 C ATOM 553 CG ARG A 35 -5.371 2.685 5.423 1.00 0.00 C ATOM 554 CD ARG A 35 -5.670 4.056 6.009 1.00 0.00 C ATOM 555 NE ARG A 35 -7.029 4.499 5.708 1.00 0.00 N ATOM 556 CZ ARG A 35 -7.426 5.769 5.780 1.00 0.00 C ATOM 557 NH1 ARG A 35 -6.574 6.718 6.144 1.00 0.00 N ATOM 558 NH2 ARG A 35 -8.680 6.088 5.486 1.00 0.00 N ATOM 0 H ARG A 35 -3.495 5.359 4.820 1.00 0.00 H new ATOM 0 HA ARG A 35 -2.421 2.895 3.638 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.702 1.450 4.904 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -3.346 2.666 6.115 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -5.911 2.565 4.484 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.734 1.912 6.101 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -5.530 4.026 7.090 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -4.958 4.781 5.615 1.00 0.00 H new ATOM 0 HE ARG A 35 -7.713 3.796 5.427 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.609 6.477 6.371 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -6.884 7.688 6.197 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.339 5.362 5.205 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -8.985 7.060 5.541 1.00 0.00 H new ATOM 572 N LEU A 36 -3.964 3.175 1.776 1.00 0.00 N ATOM 573 CA LEU A 36 -4.852 3.304 0.623 1.00 0.00 C ATOM 574 C LEU A 36 -4.767 2.056 -0.246 1.00 0.00 C ATOM 575 O LEU A 36 -3.708 1.437 -0.352 1.00 0.00 O ATOM 576 CB LEU A 36 -4.510 4.544 -0.204 1.00 0.00 C ATOM 577 CG LEU A 36 -5.656 5.068 -1.077 1.00 0.00 C ATOM 578 CD1 LEU A 36 -5.922 6.537 -0.795 1.00 0.00 C ATOM 579 CD2 LEU A 36 -5.346 4.856 -2.552 1.00 0.00 C ATOM 0 H LEU A 36 -3.085 2.697 1.576 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.871 3.415 0.993 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.194 5.339 0.472 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.659 4.313 -0.845 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.556 4.505 -0.829 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.739 6.887 -1.426 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.194 6.663 0.253 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.024 7.117 -1.009 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.171 5.234 -3.155 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.432 5.390 -2.812 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.213 3.792 -2.746 1.00 0.00 H new ATOM 591 N LEU A 37 -5.880 1.685 -0.867 1.00 0.00 N ATOM 592 CA LEU A 37 -5.908 0.504 -1.722 1.00 0.00 C ATOM 593 C LEU A 37 -6.825 0.712 -2.923 1.00 0.00 C ATOM 594 O LEU A 37 -7.940 1.215 -2.788 1.00 0.00 O ATOM 595 CB LEU A 37 -6.363 -0.715 -0.919 1.00 0.00 C ATOM 596 CG LEU A 37 -7.641 -0.513 -0.104 1.00 0.00 C ATOM 597 CD1 LEU A 37 -8.384 -1.829 0.055 1.00 0.00 C ATOM 598 CD2 LEU A 37 -7.312 0.085 1.256 1.00 0.00 C ATOM 0 H LEU A 37 -6.769 2.180 -0.796 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.898 0.333 -2.094 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.516 -1.547 -1.606 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.560 -1.005 -0.241 1.00 0.00 H new ATOM 0 HG LEU A 37 -8.288 0.182 -0.639 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -9.291 -1.667 0.638 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -8.649 -2.218 -0.928 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -7.746 -2.547 0.570 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.232 0.223 1.825 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.647 -0.588 1.798 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.821 1.049 1.121 1.00 0.00 H new ATOM 610 N LEU A 38 -6.346 0.317 -4.099 1.00 0.00 N ATOM 611 CA LEU A 38 -7.120 0.456 -5.328 1.00 0.00 C ATOM 612 C LEU A 38 -8.436 -0.309 -5.228 1.00 0.00 C ATOM 613 O LEU A 38 -8.482 -1.517 -5.457 1.00 0.00 O ATOM 614 CB LEU A 38 -6.313 -0.051 -6.523 1.00 0.00 C ATOM 615 CG LEU A 38 -6.657 0.603 -7.863 1.00 0.00 C ATOM 616 CD1 LEU A 38 -5.502 0.455 -8.841 1.00 0.00 C ATOM 617 CD2 LEU A 38 -7.927 -0.004 -8.440 1.00 0.00 C ATOM 0 H LEU A 38 -5.425 -0.102 -4.227 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.343 1.513 -5.472 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.254 0.108 -6.320 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.463 -1.127 -6.612 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.829 1.666 -7.694 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.765 0.926 -9.788 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.614 0.936 -8.431 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.298 -0.603 -9.006 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.158 0.472 -9.393 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.782 -1.073 -8.594 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.753 0.153 -7.747 1.00 0.00 H new ATOM 929 N ALA A 58 -12.157 -7.048 5.191 1.00 0.00 N ATOM 930 CA ALA A 58 -11.230 -6.218 4.431 1.00 0.00 C ATOM 931 C ALA A 58 -9.787 -6.506 4.830 1.00 0.00 C ATOM 932 O ALA A 58 -8.976 -6.927 4.004 1.00 0.00 O ATOM 933 CB ALA A 58 -11.550 -4.744 4.635 1.00 0.00 C ATOM 0 HA ALA A 58 -11.346 -6.460 3.375 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -10.850 -4.137 4.061 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -12.566 -4.542 4.297 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.463 -4.496 5.693 1.00 0.00 H new ATOM 939 N SER A 59 -9.473 -6.276 6.101 1.00 0.00 N ATOM 940 CA SER A 59 -8.126 -6.512 6.611 1.00 0.00 C ATOM 941 C SER A 59 -7.742 -7.985 6.490 1.00 0.00 C ATOM 942 O SER A 59 -6.561 -8.332 6.531 1.00 0.00 O ATOM 943 CB SER A 59 -8.030 -6.068 8.071 1.00 0.00 C ATOM 944 OG SER A 59 -9.098 -6.597 8.838 1.00 0.00 O ATOM 0 H SER A 59 -10.132 -5.927 6.797 1.00 0.00 H new ATOM 0 HA SER A 59 -7.431 -5.926 6.010 1.00 0.00 H new ATOM 0 HB2 SER A 59 -7.079 -6.395 8.492 1.00 0.00 H new ATOM 0 HB3 SER A 59 -8.044 -4.979 8.125 1.00 0.00 H new ATOM 0 HG SER A 59 -9.012 -6.299 9.768 1.00 0.00 H new ATOM 950 N ALA A 60 -8.743 -8.850 6.342 1.00 0.00 N ATOM 951 CA ALA A 60 -8.506 -10.285 6.216 1.00 0.00 C ATOM 952 C ALA A 60 -7.472 -10.586 5.136 1.00 0.00 C ATOM 953 O ALA A 60 -6.756 -11.586 5.210 1.00 0.00 O ATOM 954 CB ALA A 60 -9.810 -11.008 5.917 1.00 0.00 C ATOM 0 H ALA A 60 -9.726 -8.581 6.306 1.00 0.00 H new ATOM 0 HA ALA A 60 -8.109 -10.645 7.165 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -9.620 -12.077 5.825 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -10.517 -10.833 6.728 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -10.228 -10.632 4.983 1.00 0.00 H new ATOM 960 N PHE A 61 -7.399 -9.719 4.132 1.00 0.00 N ATOM 961 CA PHE A 61 -6.451 -9.895 3.037 1.00 0.00 C ATOM 962 C PHE A 61 -5.016 -9.903 3.558 1.00 0.00 C ATOM 963 O PHE A 61 -4.312 -10.906 3.450 1.00 0.00 O ATOM 964 CB PHE A 61 -6.624 -8.786 1.999 1.00 0.00 C ATOM 965 CG PHE A 61 -7.575 -9.145 0.892 1.00 0.00 C ATOM 966 CD1 PHE A 61 -7.147 -9.898 -0.189 1.00 0.00 C ATOM 967 CD2 PHE A 61 -8.897 -8.731 0.933 1.00 0.00 C ATOM 968 CE1 PHE A 61 -8.018 -10.231 -1.209 1.00 0.00 C ATOM 969 CE2 PHE A 61 -9.772 -9.061 -0.083 1.00 0.00 C ATOM 970 CZ PHE A 61 -9.333 -9.812 -1.156 1.00 0.00 C ATOM 0 H PHE A 61 -7.985 -8.888 4.053 1.00 0.00 H new ATOM 0 HA PHE A 61 -6.653 -10.856 2.565 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -6.982 -7.885 2.497 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -5.651 -8.547 1.569 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -6.120 -10.229 -0.235 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -9.247 -8.144 1.769 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -7.671 -10.818 -2.046 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -10.800 -8.732 -0.039 1.00 0.00 H new ATOM 0 HZ PHE A 61 -10.016 -10.071 -1.951 1.00 0.00 H new ATOM 980 N THR A 62 -4.591 -8.777 4.122 1.00 0.00 N ATOM 981 CA THR A 62 -3.240 -8.655 4.659 1.00 0.00 C ATOM 982 C THR A 62 -3.057 -9.561 5.873 1.00 0.00 C ATOM 983 O THR A 62 -1.983 -10.117 6.091 1.00 0.00 O ATOM 984 CB THR A 62 -2.952 -7.202 5.042 1.00 0.00 C ATOM 985 OG1 THR A 62 -4.151 -6.524 5.375 1.00 0.00 O ATOM 986 CG2 THR A 62 -2.271 -6.419 3.943 1.00 0.00 C ATOM 0 H THR A 62 -5.161 -7.937 4.219 1.00 0.00 H new ATOM 0 HA THR A 62 -2.536 -8.965 3.887 1.00 0.00 H new ATOM 0 HB THR A 62 -2.279 -7.256 5.898 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.946 -5.597 5.619 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.095 -5.397 4.279 1.00 0.00 H new ATOM 0 HG22 THR A 62 -1.319 -6.889 3.698 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.907 -6.405 3.058 1.00 0.00 H new ATOM 994 N LYS A 63 -4.120 -9.713 6.657 1.00 0.00 N ATOM 995 CA LYS A 63 -4.086 -10.554 7.849 1.00 0.00 C ATOM 996 C LYS A 63 -3.541 -11.950 7.539 1.00 0.00 C ATOM 997 O LYS A 63 -3.103 -12.666 8.438 1.00 0.00 O ATOM 998 CB LYS A 63 -5.485 -10.666 8.458 1.00 0.00 C ATOM 999 CG LYS A 63 -5.863 -9.484 9.335 1.00 0.00 C ATOM 1000 CD LYS A 63 -6.793 -9.900 10.463 1.00 0.00 C ATOM 1001 CE LYS A 63 -7.016 -8.764 11.448 1.00 0.00 C ATOM 1002 NZ LYS A 63 -6.159 -8.901 12.657 1.00 0.00 N ATOM 0 H LYS A 63 -5.019 -9.263 6.487 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.415 -10.082 8.566 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.216 -10.760 7.654 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.543 -11.580 9.049 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -4.961 -9.037 9.752 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.346 -8.719 8.727 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.750 -10.217 10.049 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.372 -10.759 10.986 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.805 -7.813 10.959 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.064 -8.743 11.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.341 -8.107 13.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.378 -9.797 13.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.158 -8.895 12.375 1.00 0.00 H new ATOM 1016 N LYS A 64 -3.574 -12.332 6.264 1.00 0.00 N ATOM 1017 CA LYS A 64 -3.085 -13.641 5.847 1.00 0.00 C ATOM 1018 C LYS A 64 -1.567 -13.638 5.706 1.00 0.00 C ATOM 1019 O LYS A 64 -0.867 -14.372 6.404 1.00 0.00 O ATOM 1020 CB LYS A 64 -3.731 -14.051 4.523 1.00 0.00 C ATOM 1021 CG LYS A 64 -5.225 -14.312 4.630 1.00 0.00 C ATOM 1022 CD LYS A 64 -5.641 -15.516 3.799 1.00 0.00 C ATOM 1023 CE LYS A 64 -7.148 -15.565 3.605 1.00 0.00 C ATOM 1024 NZ LYS A 64 -7.527 -16.355 2.402 1.00 0.00 N ATOM 0 H LYS A 64 -3.934 -11.754 5.504 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.357 -14.364 6.616 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -3.560 -13.266 3.786 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -3.239 -14.950 4.151 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -5.493 -14.479 5.673 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -5.774 -13.431 4.297 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.149 -15.476 2.827 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.306 -16.431 4.288 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.614 -16.002 4.488 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.535 -14.550 3.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.562 -16.364 2.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.104 -15.923 1.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -7.180 -17.330 2.504 1.00 0.00 H new ATOM 1038 N MET A 65 -1.063 -12.810 4.797 1.00 0.00 N ATOM 1039 CA MET A 65 0.374 -12.715 4.562 1.00 0.00 C ATOM 1040 C MET A 65 1.010 -11.678 5.482 1.00 0.00 C ATOM 1041 O MET A 65 1.982 -11.963 6.177 1.00 0.00 O ATOM 1042 CB MET A 65 0.650 -12.355 3.101 1.00 0.00 C ATOM 1043 CG MET A 65 0.109 -13.373 2.111 1.00 0.00 C ATOM 1044 SD MET A 65 1.321 -14.638 1.684 1.00 0.00 S ATOM 1045 CE MET A 65 0.264 -16.071 1.501 1.00 0.00 C ATOM 0 H MET A 65 -1.628 -12.195 4.211 1.00 0.00 H new ATOM 0 HA MET A 65 0.817 -13.687 4.780 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.209 -11.382 2.886 1.00 0.00 H new ATOM 0 HB3 MET A 65 1.726 -12.257 2.957 1.00 0.00 H new ATOM 0 HG2 MET A 65 -0.775 -13.850 2.533 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.209 -12.859 1.204 1.00 0.00 H new ATOM 0 HE1 MET A 65 0.869 -16.938 1.236 1.00 0.00 H new ATOM 0 HE2 MET A 65 -0.254 -16.263 2.441 1.00 0.00 H new ATOM 0 HE3 MET A 65 -0.468 -15.885 0.715 1.00 0.00 H new ATOM 1055 N TRP A 66 0.458 -10.472 5.479 1.00 0.00 N ATOM 1056 CA TRP A 66 0.975 -9.392 6.310 1.00 0.00 C ATOM 1057 C TRP A 66 1.072 -9.806 7.779 1.00 0.00 C ATOM 1058 O TRP A 66 1.894 -9.275 8.528 1.00 0.00 O ATOM 1059 CB TRP A 66 0.085 -8.153 6.178 1.00 0.00 C ATOM 1060 CG TRP A 66 0.631 -6.940 6.868 1.00 0.00 C ATOM 1061 CD1 TRP A 66 1.618 -6.111 6.417 1.00 0.00 C ATOM 1062 CD2 TRP A 66 0.213 -6.416 8.133 1.00 0.00 C ATOM 1063 NE1 TRP A 66 1.841 -5.103 7.326 1.00 0.00 N ATOM 1064 CE2 TRP A 66 0.990 -5.269 8.389 1.00 0.00 C ATOM 1065 CE3 TRP A 66 -0.743 -6.805 9.076 1.00 0.00 C ATOM 1066 CZ2 TRP A 66 0.839 -4.510 9.546 1.00 0.00 C ATOM 1067 CZ3 TRP A 66 -0.891 -6.050 10.225 1.00 0.00 C ATOM 1068 CH2 TRP A 66 -0.105 -4.914 10.451 1.00 0.00 C ATOM 0 H TRP A 66 -0.349 -10.216 4.910 1.00 0.00 H new ATOM 0 HA TRP A 66 1.980 -9.159 5.959 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -0.053 -7.927 5.121 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -0.900 -8.379 6.586 1.00 0.00 H new ATOM 0 HD1 TRP A 66 2.147 -6.230 5.483 1.00 0.00 H new ATOM 0 HE1 TRP A 66 2.527 -4.355 7.226 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -1.355 -7.679 8.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 1.445 -3.634 9.723 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -1.626 -6.342 10.961 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -0.246 -4.345 11.358 1.00 0.00 H new ATOM 1079 N GLU A 67 0.223 -10.745 8.192 1.00 0.00 N ATOM 1080 CA GLU A 67 0.216 -11.207 9.578 1.00 0.00 C ATOM 1081 C GLU A 67 1.072 -12.457 9.782 1.00 0.00 C ATOM 1082 O GLU A 67 1.970 -12.471 10.624 1.00 0.00 O ATOM 1083 CB GLU A 67 -1.217 -11.486 10.034 1.00 0.00 C ATOM 1084 CG GLU A 67 -1.485 -11.090 11.475 1.00 0.00 C ATOM 1085 CD GLU A 67 -2.528 -11.969 12.138 1.00 0.00 C ATOM 1086 OE1 GLU A 67 -3.730 -11.654 12.023 1.00 0.00 O ATOM 1087 OE2 GLU A 67 -2.141 -12.974 12.771 1.00 0.00 O ATOM 0 H GLU A 67 -0.465 -11.198 7.591 1.00 0.00 H new ATOM 0 HA GLU A 67 0.650 -10.409 10.181 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.907 -10.948 9.384 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.427 -12.549 9.913 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.556 -11.145 12.042 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.817 -10.052 11.507 1.00 0.00 H new ATOM 1094 N ASN A 68 0.776 -13.515 9.028 1.00 0.00 N ATOM 1095 CA ASN A 68 1.513 -14.772 9.159 1.00 0.00 C ATOM 1096 C ASN A 68 2.849 -14.728 8.425 1.00 0.00 C ATOM 1097 O ASN A 68 3.799 -15.411 8.809 1.00 0.00 O ATOM 1098 CB ASN A 68 0.670 -15.937 8.637 1.00 0.00 C ATOM 1099 CG ASN A 68 -0.581 -16.161 9.462 1.00 0.00 C ATOM 1100 OD1 ASN A 68 -1.537 -15.388 9.386 1.00 0.00 O ATOM 1101 ND2 ASN A 68 -0.582 -17.223 10.260 1.00 0.00 N ATOM 0 H ASN A 68 0.037 -13.528 8.325 1.00 0.00 H new ATOM 0 HA ASN A 68 1.721 -14.919 10.219 1.00 0.00 H new ATOM 0 HB2 ASN A 68 0.389 -15.743 7.602 1.00 0.00 H new ATOM 0 HB3 ASN A 68 1.271 -16.846 8.639 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -1.396 -17.424 10.841 1.00 0.00 H new ATOM 0 HD22 ASN A 68 0.231 -17.838 10.292 1.00 0.00 H new ATOM 1108 N ALA A 69 2.921 -13.928 7.370 1.00 0.00 N ATOM 1109 CA ALA A 69 4.147 -13.804 6.591 1.00 0.00 C ATOM 1110 C ALA A 69 4.853 -12.489 6.896 1.00 0.00 C ATOM 1111 O ALA A 69 4.209 -11.466 7.125 1.00 0.00 O ATOM 1112 CB ALA A 69 3.845 -13.915 5.103 1.00 0.00 C ATOM 0 H ALA A 69 2.147 -13.356 7.034 1.00 0.00 H new ATOM 0 HA ALA A 69 4.813 -14.620 6.872 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.771 -13.820 4.536 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.390 -14.883 4.895 1.00 0.00 H new ATOM 0 HB3 ALA A 69 3.158 -13.121 4.811 1.00 0.00 H new ATOM 1118 N LYS A 70 6.182 -12.522 6.902 1.00 0.00 N ATOM 1119 CA LYS A 70 6.967 -11.328 7.185 1.00 0.00 C ATOM 1120 C LYS A 70 7.415 -10.646 5.897 1.00 0.00 C ATOM 1121 O LYS A 70 8.465 -10.972 5.342 1.00 0.00 O ATOM 1122 CB LYS A 70 8.188 -11.684 8.036 1.00 0.00 C ATOM 1123 CG LYS A 70 7.908 -11.681 9.530 1.00 0.00 C ATOM 1124 CD LYS A 70 7.811 -10.267 10.078 1.00 0.00 C ATOM 1125 CE LYS A 70 9.139 -9.797 10.648 1.00 0.00 C ATOM 1126 NZ LYS A 70 9.009 -8.496 11.362 1.00 0.00 N ATOM 0 H LYS A 70 6.735 -13.359 6.715 1.00 0.00 H new ATOM 0 HA LYS A 70 6.334 -10.635 7.738 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.549 -12.670 7.744 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.988 -10.975 7.823 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.977 -12.213 9.727 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.700 -12.220 10.050 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.494 -9.590 9.285 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.047 -10.228 10.854 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.526 -10.550 11.334 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.865 -9.697 9.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.937 -8.211 11.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.664 -7.771 10.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.336 -8.597 12.148 1.00 0.00 H new ATOM 1140 N LYS A 71 6.616 -9.692 5.433 1.00 0.00 N ATOM 1141 CA LYS A 71 6.927 -8.954 4.221 1.00 0.00 C ATOM 1142 C LYS A 71 6.112 -7.668 4.170 1.00 0.00 C ATOM 1143 O LYS A 71 4.944 -7.676 3.781 1.00 0.00 O ATOM 1144 CB LYS A 71 6.630 -9.815 2.995 1.00 0.00 C ATOM 1145 CG LYS A 71 5.173 -10.243 2.891 1.00 0.00 C ATOM 1146 CD LYS A 71 5.018 -11.747 3.059 1.00 0.00 C ATOM 1147 CE LYS A 71 5.445 -12.495 1.805 1.00 0.00 C ATOM 1148 NZ LYS A 71 4.404 -12.438 0.742 1.00 0.00 N ATOM 0 H LYS A 71 5.744 -9.413 5.883 1.00 0.00 H new ATOM 0 HA LYS A 71 7.987 -8.698 4.223 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.902 -9.260 2.097 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.260 -10.704 3.024 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.587 -9.729 3.653 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.773 -9.941 1.923 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.616 -12.083 3.906 1.00 0.00 H new ATOM 0 HD3 LYS A 71 3.979 -11.983 3.289 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.374 -12.068 1.427 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.651 -13.536 2.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.727 -12.974 -0.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.520 -12.853 1.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.237 -11.448 0.472 1.00 0.00 H new ATOM 1162 N ILE A 72 6.725 -6.564 4.569 1.00 0.00 N ATOM 1163 CA ILE A 72 6.034 -5.284 4.570 1.00 0.00 C ATOM 1164 C ILE A 72 6.930 -4.154 4.090 1.00 0.00 C ATOM 1165 O ILE A 72 8.072 -4.016 4.529 1.00 0.00 O ATOM 1166 CB ILE A 72 5.493 -4.929 5.967 1.00 0.00 C ATOM 1167 CG1 ILE A 72 4.858 -6.156 6.624 1.00 0.00 C ATOM 1168 CG2 ILE A 72 4.487 -3.795 5.863 1.00 0.00 C ATOM 1169 CD1 ILE A 72 5.834 -6.981 7.435 1.00 0.00 C ATOM 0 H ILE A 72 7.691 -6.528 4.894 1.00 0.00 H new ATOM 0 HA ILE A 72 5.199 -5.394 3.878 1.00 0.00 H new ATOM 0 HB ILE A 72 6.324 -4.601 6.592 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.044 -5.831 7.272 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.418 -6.785 5.850 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.110 -3.551 6.856 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.971 -2.918 5.433 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.658 -4.102 5.225 1.00 0.00 H new ATOM 0 HD11 ILE A 72 5.315 -7.834 7.871 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.636 -7.337 6.788 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.256 -6.367 8.231 1.00 0.00 H new ATOM 1181 N GLU A 73 6.392 -3.341 3.194 1.00 0.00 N ATOM 1182 CA GLU A 73 7.116 -2.201 2.650 1.00 0.00 C ATOM 1183 C GLU A 73 6.155 -1.054 2.355 1.00 0.00 C ATOM 1184 O GLU A 73 4.936 -1.225 2.415 1.00 0.00 O ATOM 1185 CB GLU A 73 7.872 -2.600 1.381 1.00 0.00 C ATOM 1186 CG GLU A 73 8.505 -3.979 1.456 1.00 0.00 C ATOM 1187 CD GLU A 73 9.656 -4.145 0.483 1.00 0.00 C ATOM 1188 OE1 GLU A 73 9.617 -3.519 -0.596 1.00 0.00 O ATOM 1189 OE2 GLU A 73 10.598 -4.902 0.802 1.00 0.00 O ATOM 0 H GLU A 73 5.447 -3.451 2.825 1.00 0.00 H new ATOM 0 HA GLU A 73 7.841 -1.867 3.393 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.185 -2.571 0.535 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.651 -1.863 1.185 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.863 -4.156 2.470 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.747 -4.735 1.249 1.00 0.00 H new ATOM 1196 N VAL A 74 6.704 0.115 2.047 1.00 0.00 N ATOM 1197 CA VAL A 74 5.885 1.285 1.757 1.00 0.00 C ATOM 1198 C VAL A 74 5.918 1.638 0.274 1.00 0.00 C ATOM 1199 O VAL A 74 6.985 1.706 -0.338 1.00 0.00 O ATOM 1200 CB VAL A 74 6.347 2.506 2.575 1.00 0.00 C ATOM 1201 CG1 VAL A 74 6.155 2.250 4.062 1.00 0.00 C ATOM 1202 CG2 VAL A 74 7.798 2.844 2.264 1.00 0.00 C ATOM 0 H VAL A 74 7.709 0.278 1.992 1.00 0.00 H new ATOM 0 HA VAL A 74 4.863 1.029 2.038 1.00 0.00 H new ATOM 0 HB VAL A 74 5.735 3.363 2.294 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.486 3.121 4.627 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.101 2.064 4.266 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.741 1.381 4.360 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.104 3.709 2.852 1.00 0.00 H new ATOM 0 HG22 VAL A 74 8.431 1.993 2.514 1.00 0.00 H new ATOM 0 HG23 VAL A 74 7.899 3.072 1.203 1.00 0.00 H new ATOM 1212 N GLU A 75 4.739 1.864 -0.298 1.00 0.00 N ATOM 1213 CA GLU A 75 4.625 2.213 -1.710 1.00 0.00 C ATOM 1214 C GLU A 75 4.649 3.729 -1.899 1.00 0.00 C ATOM 1215 O GLU A 75 5.041 4.469 -0.996 1.00 0.00 O ATOM 1216 CB GLU A 75 3.339 1.629 -2.296 1.00 0.00 C ATOM 1217 CG GLU A 75 3.502 1.090 -3.708 1.00 0.00 C ATOM 1218 CD GLU A 75 2.234 1.215 -4.530 1.00 0.00 C ATOM 1219 OE1 GLU A 75 1.977 2.315 -5.061 1.00 0.00 O ATOM 1220 OE2 GLU A 75 1.497 0.212 -4.641 1.00 0.00 O ATOM 0 H GLU A 75 3.848 1.812 0.196 1.00 0.00 H new ATOM 0 HA GLU A 75 5.479 1.789 -2.237 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.987 0.826 -1.648 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.568 2.399 -2.297 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.309 1.627 -4.207 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.798 0.042 -3.661 1.00 0.00 H new ATOM 1227 N PHE A 76 4.235 4.184 -3.078 1.00 0.00 N ATOM 1228 CA PHE A 76 4.214 5.611 -3.383 1.00 0.00 C ATOM 1229 C PHE A 76 2.852 6.220 -3.063 1.00 0.00 C ATOM 1230 O PHE A 76 1.813 5.639 -3.373 1.00 0.00 O ATOM 1231 CB PHE A 76 4.552 5.841 -4.858 1.00 0.00 C ATOM 1232 CG PHE A 76 3.725 5.012 -5.798 1.00 0.00 C ATOM 1233 CD1 PHE A 76 2.398 5.332 -6.040 1.00 0.00 C ATOM 1234 CD2 PHE A 76 4.274 3.914 -6.441 1.00 0.00 C ATOM 1235 CE1 PHE A 76 1.635 4.570 -6.904 1.00 0.00 C ATOM 1236 CE2 PHE A 76 3.515 3.149 -7.307 1.00 0.00 C ATOM 1237 CZ PHE A 76 2.194 3.478 -7.539 1.00 0.00 C ATOM 0 H PHE A 76 3.910 3.586 -3.837 1.00 0.00 H new ATOM 0 HA PHE A 76 4.964 6.100 -2.761 1.00 0.00 H new ATOM 0 HB2 PHE A 76 4.410 6.895 -5.095 1.00 0.00 H new ATOM 0 HB3 PHE A 76 5.606 5.617 -5.020 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.956 6.186 -5.548 1.00 0.00 H new ATOM 0 HD2 PHE A 76 5.307 3.653 -6.264 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.602 4.828 -7.083 1.00 0.00 H new ATOM 0 HE2 PHE A 76 3.955 2.295 -7.801 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.599 2.883 -8.216 1.00 0.00 H new ATOM 1247 N ASP A 77 2.869 7.393 -2.439 1.00 0.00 N ATOM 1248 CA ASP A 77 1.636 8.085 -2.076 1.00 0.00 C ATOM 1249 C ASP A 77 1.362 9.249 -3.023 1.00 0.00 C ATOM 1250 O ASP A 77 2.260 9.713 -3.726 1.00 0.00 O ATOM 1251 CB ASP A 77 1.717 8.592 -0.635 1.00 0.00 C ATOM 1252 CG ASP A 77 2.902 9.509 -0.410 1.00 0.00 C ATOM 1253 OD1 ASP A 77 3.440 10.040 -1.405 1.00 0.00 O ATOM 1254 OD2 ASP A 77 3.293 9.697 0.762 1.00 0.00 O ATOM 0 H ASP A 77 3.722 7.885 -2.174 1.00 0.00 H new ATOM 0 HA ASP A 77 0.814 7.374 -2.159 1.00 0.00 H new ATOM 0 HB2 ASP A 77 0.798 9.123 -0.388 1.00 0.00 H new ATOM 0 HB3 ASP A 77 1.786 7.741 0.043 1.00 0.00 H new ATOM 1259 N LYS A 78 0.118 9.716 -3.036 1.00 0.00 N ATOM 1260 CA LYS A 78 -0.273 10.827 -3.897 1.00 0.00 C ATOM 1261 C LYS A 78 0.555 12.072 -3.591 1.00 0.00 C ATOM 1262 O LYS A 78 1.345 12.522 -4.419 1.00 0.00 O ATOM 1263 CB LYS A 78 -1.761 11.135 -3.725 1.00 0.00 C ATOM 1264 CG LYS A 78 -2.385 11.819 -4.931 1.00 0.00 C ATOM 1265 CD LYS A 78 -3.689 12.510 -4.567 1.00 0.00 C ATOM 1266 CE LYS A 78 -4.787 11.502 -4.266 1.00 0.00 C ATOM 1267 NZ LYS A 78 -5.781 12.036 -3.295 1.00 0.00 N ATOM 0 H LYS A 78 -0.637 9.343 -2.460 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.087 10.534 -4.930 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -2.295 10.206 -3.528 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.893 11.770 -2.849 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.686 12.550 -5.338 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.568 11.083 -5.714 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.533 13.150 -3.699 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -4.001 13.156 -5.387 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -5.294 11.230 -5.192 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.343 10.590 -3.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.589 11.385 -3.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.337 12.128 -2.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.112 12.969 -3.614 1.00 0.00 H new ATOM 1281 N GLY A 79 0.366 12.622 -2.396 1.00 0.00 N ATOM 1282 CA GLY A 79 1.101 13.809 -2.001 1.00 0.00 C ATOM 1283 C GLY A 79 0.367 15.091 -2.347 1.00 0.00 C ATOM 1284 O GLY A 79 0.990 16.130 -2.564 1.00 0.00 O ATOM 0 H GLY A 79 -0.283 12.267 -1.694 1.00 0.00 H new ATOM 0 HA2 GLY A 79 1.284 13.778 -0.927 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.075 13.809 -2.491 1.00 0.00 H new ATOM 1288 N GLN A 80 -0.959 15.016 -2.398 1.00 0.00 N ATOM 1289 CA GLN A 80 -1.778 16.179 -2.719 1.00 0.00 C ATOM 1290 C GLN A 80 -2.880 16.373 -1.684 1.00 0.00 C ATOM 1291 O GLN A 80 -3.010 17.446 -1.094 1.00 0.00 O ATOM 1292 CB GLN A 80 -2.391 16.030 -4.113 1.00 0.00 C ATOM 1293 CG GLN A 80 -2.830 17.349 -4.728 1.00 0.00 C ATOM 1294 CD GLN A 80 -4.294 17.651 -4.472 1.00 0.00 C ATOM 1295 OE1 GLN A 80 -4.631 18.483 -3.629 1.00 0.00 O ATOM 1296 NE2 GLN A 80 -5.173 16.973 -5.201 1.00 0.00 N ATOM 0 H GLN A 80 -1.489 14.163 -2.221 1.00 0.00 H new ATOM 0 HA GLN A 80 -1.134 17.058 -2.705 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -1.664 15.556 -4.772 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -3.251 15.362 -4.054 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -2.220 18.156 -4.323 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -2.650 17.323 -5.803 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -4.849 16.293 -5.888 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -6.172 17.133 -5.073 1.00 0.00 H new ATOM 1305 N ARG A 81 -3.670 15.327 -1.465 1.00 0.00 N ATOM 1306 CA ARG A 81 -4.762 15.382 -0.500 1.00 0.00 C ATOM 1307 C ARG A 81 -4.348 14.747 0.825 1.00 0.00 C ATOM 1308 O ARG A 81 -4.390 13.527 0.981 1.00 0.00 O ATOM 1309 CB ARG A 81 -5.999 14.673 -1.056 1.00 0.00 C ATOM 1310 CG ARG A 81 -7.080 15.624 -1.542 1.00 0.00 C ATOM 1311 CD ARG A 81 -7.616 16.487 -0.409 1.00 0.00 C ATOM 1312 NE ARG A 81 -9.073 16.585 -0.440 1.00 0.00 N ATOM 1313 CZ ARG A 81 -9.768 17.505 0.225 1.00 0.00 C ATOM 1314 NH1 ARG A 81 -9.143 18.405 0.974 1.00 0.00 N ATOM 1315 NH2 ARG A 81 -11.091 17.524 0.144 1.00 0.00 N ATOM 0 H ARG A 81 -3.574 14.431 -1.943 1.00 0.00 H new ATOM 0 HA ARG A 81 -5.004 16.430 -0.321 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -5.697 14.028 -1.881 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -6.416 14.028 -0.283 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -6.677 16.263 -2.328 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -7.897 15.053 -1.983 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -7.301 16.068 0.547 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -7.184 17.485 -0.477 1.00 0.00 H new ATOM 0 HE ARG A 81 -9.588 15.909 -1.004 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -8.125 18.394 1.042 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -9.680 19.108 1.482 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -11.577 16.833 -0.428 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -11.623 18.229 0.654 1.00 0.00 H new ATOM 1329 N THR A 82 -3.948 15.585 1.776 1.00 0.00 N ATOM 1330 CA THR A 82 -3.526 15.107 3.088 1.00 0.00 C ATOM 1331 C THR A 82 -4.731 14.884 3.994 1.00 0.00 C ATOM 1332 O THR A 82 -5.854 15.251 3.646 1.00 0.00 O ATOM 1333 CB THR A 82 -2.558 16.099 3.736 1.00 0.00 C ATOM 1334 OG1 THR A 82 -3.263 17.106 4.440 1.00 0.00 O ATOM 1335 CG2 THR A 82 -1.646 16.789 2.743 1.00 0.00 C ATOM 0 H THR A 82 -3.907 16.598 1.663 1.00 0.00 H new ATOM 0 HA THR A 82 -3.013 14.155 2.952 1.00 0.00 H new ATOM 0 HB THR A 82 -1.946 15.499 4.410 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.625 17.728 4.848 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.987 17.478 3.272 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.047 16.043 2.220 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.246 17.343 2.022 1.00 0.00 H new ATOM 1343 N ASP A 83 -4.500 14.275 5.155 1.00 0.00 N ATOM 1344 CA ASP A 83 -5.582 14.006 6.093 1.00 0.00 C ATOM 1345 C ASP A 83 -5.412 14.783 7.398 1.00 0.00 C ATOM 1346 O ASP A 83 -6.337 15.460 7.844 1.00 0.00 O ATOM 1347 CB ASP A 83 -5.660 12.504 6.387 1.00 0.00 C ATOM 1348 CG ASP A 83 -6.960 11.888 5.905 1.00 0.00 C ATOM 1349 OD1 ASP A 83 -8.015 12.540 6.049 1.00 0.00 O ATOM 1350 OD2 ASP A 83 -6.921 10.754 5.384 1.00 0.00 O ATOM 0 H ASP A 83 -3.580 13.961 5.465 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.510 14.338 5.628 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -4.822 11.999 5.908 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -5.559 12.341 7.460 1.00 0.00 H new ATOM 1355 N LYS A 84 -4.237 14.678 8.017 1.00 0.00 N ATOM 1356 CA LYS A 84 -3.987 15.373 9.277 1.00 0.00 C ATOM 1357 C LYS A 84 -2.977 16.509 9.122 1.00 0.00 C ATOM 1358 O LYS A 84 -3.310 17.675 9.327 1.00 0.00 O ATOM 1359 CB LYS A 84 -3.491 14.383 10.333 1.00 0.00 C ATOM 1360 CG LYS A 84 -3.549 14.928 11.750 1.00 0.00 C ATOM 1361 CD LYS A 84 -3.599 13.807 12.775 1.00 0.00 C ATOM 1362 CE LYS A 84 -3.945 14.332 14.158 1.00 0.00 C ATOM 1363 NZ LYS A 84 -2.850 15.167 14.724 1.00 0.00 N ATOM 0 H LYS A 84 -3.452 14.125 7.671 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.932 15.813 9.595 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.090 13.474 10.277 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -2.463 14.102 10.102 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.677 15.554 11.936 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -4.427 15.564 11.861 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -4.339 13.067 12.470 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.635 13.300 12.808 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -4.860 14.921 14.104 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -4.144 13.494 14.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -3.125 15.506 15.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.983 14.598 14.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.677 15.981 14.101 1.00 0.00 H new ATOM 1377 N TYR A 85 -1.740 16.163 8.777 1.00 0.00 N ATOM 1378 CA TYR A 85 -0.688 17.165 8.618 1.00 0.00 C ATOM 1379 C TYR A 85 0.120 16.959 7.336 1.00 0.00 C ATOM 1380 O TYR A 85 1.077 17.690 7.079 1.00 0.00 O ATOM 1381 CB TYR A 85 0.248 17.135 9.830 1.00 0.00 C ATOM 1382 CG TYR A 85 0.299 18.440 10.592 1.00 0.00 C ATOM 1383 CD1 TYR A 85 0.882 19.571 10.032 1.00 0.00 C ATOM 1384 CD2 TYR A 85 -0.233 18.542 11.871 1.00 0.00 C ATOM 1385 CE1 TYR A 85 0.931 20.766 10.725 1.00 0.00 C ATOM 1386 CE2 TYR A 85 -0.187 19.733 12.570 1.00 0.00 C ATOM 1387 CZ TYR A 85 0.395 20.841 11.994 1.00 0.00 C ATOM 1388 OH TYR A 85 0.444 22.029 12.687 1.00 0.00 O ATOM 0 H TYR A 85 -1.442 15.203 8.603 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.174 18.138 8.546 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -0.073 16.342 10.506 1.00 0.00 H new ATOM 0 HB3 TYR A 85 1.254 16.881 9.495 1.00 0.00 H new ATOM 0 HD1 TYR A 85 1.304 19.515 9.039 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -0.690 17.676 12.327 1.00 0.00 H new ATOM 0 HE1 TYR A 85 1.386 21.636 10.276 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -0.606 19.795 13.564 1.00 0.00 H new ATOM 0 HH TYR A 85 0.022 21.914 13.564 1.00 0.00 H new ATOM 1398 N GLY A 86 -0.256 15.966 6.536 1.00 0.00 N ATOM 1399 CA GLY A 86 0.467 15.703 5.306 1.00 0.00 C ATOM 1400 C GLY A 86 0.890 14.255 5.178 1.00 0.00 C ATOM 1401 O GLY A 86 2.058 13.964 4.915 1.00 0.00 O ATOM 0 H GLY A 86 -1.043 15.343 6.716 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -0.160 15.971 4.456 1.00 0.00 H new ATOM 0 HA3 GLY A 86 1.350 16.341 5.264 1.00 0.00 H new ATOM 1405 N ARG A 87 -0.057 13.340 5.362 1.00 0.00 N ATOM 1406 CA ARG A 87 0.236 11.916 5.263 1.00 0.00 C ATOM 1407 C ARG A 87 -0.288 11.341 3.954 1.00 0.00 C ATOM 1408 O ARG A 87 -1.467 11.006 3.842 1.00 0.00 O ATOM 1409 CB ARG A 87 -0.378 11.142 6.439 1.00 0.00 C ATOM 1410 CG ARG A 87 -0.702 12.004 7.650 1.00 0.00 C ATOM 1411 CD ARG A 87 -1.112 11.155 8.842 1.00 0.00 C ATOM 1412 NE ARG A 87 0.034 10.502 9.469 1.00 0.00 N ATOM 1413 CZ ARG A 87 0.872 11.115 10.303 1.00 0.00 C ATOM 1414 NH1 ARG A 87 0.697 12.394 10.609 1.00 0.00 N ATOM 1415 NH2 ARG A 87 1.889 10.447 10.832 1.00 0.00 N ATOM 0 H ARG A 87 -1.029 13.559 5.579 1.00 0.00 H new ATOM 0 HA ARG A 87 1.320 11.806 5.293 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -1.291 10.653 6.100 1.00 0.00 H new ATOM 0 HB3 ARG A 87 0.312 10.355 6.741 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.168 12.607 7.913 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -1.506 12.696 7.401 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -1.619 11.782 9.576 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -1.828 10.399 8.520 1.00 0.00 H new ATOM 0 HE ARG A 87 0.202 9.519 9.256 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -0.083 12.913 10.205 1.00 0.00 H new ATOM 0 HH12 ARG A 87 1.342 12.858 11.248 1.00 0.00 H new ATOM 0 HH21 ARG A 87 2.029 9.464 10.600 1.00 0.00 H new ATOM 0 HH22 ARG A 87 2.531 10.917 11.471 1.00 0.00 H new ATOM 1429 N GLY A 88 0.598 11.201 2.971 1.00 0.00 N ATOM 1430 CA GLY A 88 0.193 10.635 1.697 1.00 0.00 C ATOM 1431 C GLY A 88 -0.468 9.292 1.901 1.00 0.00 C ATOM 1432 O GLY A 88 0.191 8.325 2.278 1.00 0.00 O ATOM 0 H GLY A 88 1.581 11.467 3.033 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -0.496 11.313 1.194 1.00 0.00 H new ATOM 0 HA3 GLY A 88 1.062 10.524 1.049 1.00 0.00 H new ATOM 1436 N LEU A 89 -1.777 9.234 1.695 1.00 0.00 N ATOM 1437 CA LEU A 89 -2.515 7.997 1.916 1.00 0.00 C ATOM 1438 C LEU A 89 -2.327 6.993 0.787 1.00 0.00 C ATOM 1439 O LEU A 89 -3.034 7.020 -0.220 1.00 0.00 O ATOM 1440 CB LEU A 89 -4.009 8.284 2.116 1.00 0.00 C ATOM 1441 CG LEU A 89 -4.560 9.509 1.377 1.00 0.00 C ATOM 1442 CD1 LEU A 89 -4.173 9.476 -0.093 1.00 0.00 C ATOM 1443 CD2 LEU A 89 -6.072 9.582 1.529 1.00 0.00 C ATOM 0 H LEU A 89 -2.345 10.020 1.379 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.107 7.550 2.822 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.573 7.407 1.798 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.195 8.413 3.182 1.00 0.00 H new ATOM 0 HG LEU A 89 -4.121 10.402 1.822 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.576 10.356 -0.595 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.087 9.472 -0.183 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.579 8.576 -0.556 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.449 10.457 0.999 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.524 8.682 1.111 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.328 9.660 2.586 1.00 0.00 H new ATOM 1455 N ALA A 90 -1.394 6.070 0.999 1.00 0.00 N ATOM 1456 CA ALA A 90 -1.125 5.001 0.049 1.00 0.00 C ATOM 1457 C ALA A 90 -0.099 4.033 0.625 1.00 0.00 C ATOM 1458 O ALA A 90 1.061 4.392 0.823 1.00 0.00 O ATOM 1459 CB ALA A 90 -0.645 5.569 -1.277 1.00 0.00 C ATOM 0 H ALA A 90 -0.806 6.044 1.832 1.00 0.00 H new ATOM 0 HA ALA A 90 -2.051 4.456 -0.134 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.450 4.753 -1.973 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.412 6.224 -1.691 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.271 6.138 -1.119 1.00 0.00 H new ATOM 1465 N TYR A 91 -0.528 2.805 0.888 1.00 0.00 N ATOM 1466 CA TYR A 91 0.363 1.796 1.440 1.00 0.00 C ATOM 1467 C TYR A 91 0.026 0.400 0.912 1.00 0.00 C ATOM 1468 O TYR A 91 -0.931 -0.223 1.372 1.00 0.00 O ATOM 1469 CB TYR A 91 0.312 1.856 2.974 1.00 0.00 C ATOM 1470 CG TYR A 91 0.133 0.523 3.666 1.00 0.00 C ATOM 1471 CD1 TYR A 91 1.096 -0.470 3.564 1.00 0.00 C ATOM 1472 CD2 TYR A 91 -1.001 0.266 4.420 1.00 0.00 C ATOM 1473 CE1 TYR A 91 0.933 -1.685 4.197 1.00 0.00 C ATOM 1474 CE2 TYR A 91 -1.174 -0.945 5.058 1.00 0.00 C ATOM 1475 CZ TYR A 91 -0.204 -1.919 4.944 1.00 0.00 C ATOM 1476 OH TYR A 91 -0.371 -3.129 5.577 1.00 0.00 O ATOM 0 H TYR A 91 -1.484 2.486 0.728 1.00 0.00 H new ATOM 0 HA TYR A 91 1.382 2.008 1.117 1.00 0.00 H new ATOM 0 HB2 TYR A 91 1.233 2.313 3.334 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -0.506 2.513 3.269 1.00 0.00 H new ATOM 0 HD1 TYR A 91 1.987 -0.289 2.980 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -1.762 1.027 4.510 1.00 0.00 H new ATOM 0 HE1 TYR A 91 1.691 -2.449 4.109 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -2.063 -1.129 5.643 1.00 0.00 H new ATOM 0 HH TYR A 91 -1.223 -3.130 6.061 1.00 0.00 H new ATOM 1486 N ILE A 92 0.812 -0.100 -0.034 1.00 0.00 N ATOM 1487 CA ILE A 92 0.574 -1.436 -0.574 1.00 0.00 C ATOM 1488 C ILE A 92 1.876 -2.086 -1.030 1.00 0.00 C ATOM 1489 O ILE A 92 2.442 -1.712 -2.057 1.00 0.00 O ATOM 1490 CB ILE A 92 -0.407 -1.401 -1.769 1.00 0.00 C ATOM 1491 CG1 ILE A 92 -1.729 -0.738 -1.369 1.00 0.00 C ATOM 1492 CG2 ILE A 92 -0.656 -2.808 -2.300 1.00 0.00 C ATOM 1493 CD1 ILE A 92 -2.528 -1.536 -0.363 1.00 0.00 C ATOM 0 H ILE A 92 1.609 0.390 -0.439 1.00 0.00 H new ATOM 0 HA ILE A 92 0.135 -2.023 0.232 1.00 0.00 H new ATOM 0 HB ILE A 92 0.047 -0.807 -2.563 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.520 0.248 -0.954 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.334 -0.586 -2.263 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.349 -2.762 -3.140 1.00 0.00 H new ATOM 0 HG22 ILE A 92 0.287 -3.244 -2.630 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.084 -3.425 -1.510 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -3.450 -1.005 -0.127 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.769 -2.513 -0.782 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -1.942 -1.666 0.547 1.00 0.00 H new ATOM 1505 N TYR A 93 2.334 -3.076 -0.270 1.00 0.00 N ATOM 1506 CA TYR A 93 3.555 -3.796 -0.610 1.00 0.00 C ATOM 1507 C TYR A 93 3.531 -5.213 -0.044 1.00 0.00 C ATOM 1508 O TYR A 93 3.167 -5.424 1.113 1.00 0.00 O ATOM 1509 CB TYR A 93 4.787 -3.038 -0.117 1.00 0.00 C ATOM 1510 CG TYR A 93 5.679 -2.558 -1.242 1.00 0.00 C ATOM 1511 CD1 TYR A 93 6.515 -3.442 -1.914 1.00 0.00 C ATOM 1512 CD2 TYR A 93 5.683 -1.226 -1.633 1.00 0.00 C ATOM 1513 CE1 TYR A 93 7.331 -3.009 -2.943 1.00 0.00 C ATOM 1514 CE2 TYR A 93 6.496 -0.786 -2.661 1.00 0.00 C ATOM 1515 CZ TYR A 93 7.316 -1.682 -3.312 1.00 0.00 C ATOM 1516 OH TYR A 93 8.127 -1.247 -4.336 1.00 0.00 O ATOM 0 H TYR A 93 1.878 -3.397 0.584 1.00 0.00 H new ATOM 0 HA TYR A 93 3.610 -3.868 -1.696 1.00 0.00 H new ATOM 0 HB2 TYR A 93 4.466 -2.181 0.475 1.00 0.00 H new ATOM 0 HB3 TYR A 93 5.363 -3.685 0.545 1.00 0.00 H new ATOM 0 HD1 TYR A 93 6.527 -4.483 -1.628 1.00 0.00 H new ATOM 0 HD2 TYR A 93 5.040 -0.522 -1.126 1.00 0.00 H new ATOM 0 HE1 TYR A 93 7.977 -3.708 -3.455 1.00 0.00 H new ATOM 0 HE2 TYR A 93 6.488 0.254 -2.952 1.00 0.00 H new ATOM 0 HH TYR A 93 8.937 -1.798 -4.369 1.00 0.00 H new ATOM 1526 N ALA A 94 3.930 -6.179 -0.862 1.00 0.00 N ATOM 1527 CA ALA A 94 3.966 -7.574 -0.441 1.00 0.00 C ATOM 1528 C ALA A 94 5.274 -8.235 -0.862 1.00 0.00 C ATOM 1529 O ALA A 94 5.434 -8.635 -2.015 1.00 0.00 O ATOM 1530 CB ALA A 94 2.779 -8.331 -1.020 1.00 0.00 C ATOM 0 H ALA A 94 4.234 -6.021 -1.823 1.00 0.00 H new ATOM 0 HA ALA A 94 3.905 -7.604 0.647 1.00 0.00 H new ATOM 0 HB1 ALA A 94 2.819 -9.371 -0.697 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.852 -7.877 -0.669 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.815 -8.287 -2.109 1.00 0.00 H new ATOM 1536 N ASP A 95 6.210 -8.345 0.076 1.00 0.00 N ATOM 1537 CA ASP A 95 7.504 -8.959 -0.209 1.00 0.00 C ATOM 1538 C ASP A 95 8.212 -8.229 -1.347 1.00 0.00 C ATOM 1539 O ASP A 95 8.809 -8.855 -2.223 1.00 0.00 O ATOM 1540 CB ASP A 95 7.326 -10.435 -0.565 1.00 0.00 C ATOM 1541 CG ASP A 95 8.414 -11.309 0.026 1.00 0.00 C ATOM 1542 OD1 ASP A 95 9.482 -10.767 0.384 1.00 0.00 O ATOM 1543 OD2 ASP A 95 8.200 -12.535 0.133 1.00 0.00 O ATOM 0 H ASP A 95 6.098 -8.019 1.036 1.00 0.00 H new ATOM 0 HA ASP A 95 8.120 -8.883 0.687 1.00 0.00 H new ATOM 0 HB2 ASP A 95 6.355 -10.777 -0.207 1.00 0.00 H new ATOM 0 HB3 ASP A 95 7.324 -10.546 -1.649 1.00 0.00 H new ATOM 1548 N GLY A 96 8.139 -6.903 -1.326 1.00 0.00 N ATOM 1549 CA GLY A 96 8.777 -6.110 -2.361 1.00 0.00 C ATOM 1550 C GLY A 96 8.230 -6.411 -3.742 1.00 0.00 C ATOM 1551 O GLY A 96 8.987 -6.509 -4.707 1.00 0.00 O ATOM 0 H GLY A 96 7.650 -6.363 -0.612 1.00 0.00 H new ATOM 0 HA2 GLY A 96 8.638 -5.052 -2.141 1.00 0.00 H new ATOM 0 HA3 GLY A 96 9.850 -6.299 -2.350 1.00 0.00 H new