USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 553 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 NoAdj-H: A 1 MET H1 : A 1 MET N : A 70 TRP C :(NH2R) USER MOD NoAdj-H: A 1 MET H2 : A 1 MET N : A 70 TRP C :(NH2R) USER MOD Set 1.1: A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 56 LYS NZ :NH3+ 151:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 149:sc= -6.25! (180deg=-7.04!) USER MOD Single : A 1 MET N :NH3+ -119:sc=-0.00812 (180deg=-1.1) USER MOD Single : A 3 LYS NZ :NH3+ 161:sc= -0.0577 (180deg=-0.437) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0153 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.0064) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0566 USER MOD Single : A 30 SER OG : rot 29:sc= 0.507 USER MOD Single : A 33 THR OG1 : rot 33:sc= -0.213 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -6:sc= -0.372 USER MOD Single : A 50 SER OG : rot -37:sc= 0.49 USER MOD Single : A 54 TYR OH : rot -131:sc=0.000796 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.571) USER MOD Single : A 62 LYS NZ :NH3+ -123:sc= 0.692 (180deg=0.0015) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.488 5.025 3.726 1.00 0.00 N ATOM 2 CA MET A 1 -3.094 5.472 3.645 1.00 0.00 C ATOM 3 C MET A 1 -2.927 6.969 3.926 1.00 0.00 C ATOM 4 O MET A 1 -2.088 7.361 4.748 1.00 0.00 O ATOM 5 CB MET A 1 -2.538 5.082 2.282 1.00 0.00 C ATOM 6 CG MET A 1 -2.147 3.602 2.297 1.00 0.00 C ATOM 7 SD MET A 1 -1.327 3.003 0.776 1.00 0.00 S ATOM 8 CE MET A 1 0.190 3.921 0.874 1.00 0.00 C ATOM 0 H3 MET A 1 -4.580 4.308 4.474 1.00 0.00 H new ATOM 0 HA MET A 1 -2.524 4.975 4.430 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.283 5.265 1.507 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.670 5.696 2.042 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.483 3.426 3.143 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.044 3.007 2.467 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.994 3.344 0.417 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.077 4.868 0.346 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.431 4.115 1.919 1.00 0.00 H new ATOM 18 N ALA A 2 -3.859 7.749 3.387 1.00 0.00 N ATOM 19 CA ALA A 2 -3.976 9.195 3.655 1.00 0.00 C ATOM 20 C ALA A 2 -4.103 9.486 5.167 1.00 0.00 C ATOM 21 O ALA A 2 -3.140 9.966 5.761 1.00 0.00 O ATOM 22 CB ALA A 2 -5.157 9.787 2.879 1.00 0.00 C ATOM 0 H ALA A 2 -4.568 7.399 2.742 1.00 0.00 H new ATOM 0 HA ALA A 2 -3.060 9.675 3.311 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -5.231 10.854 3.087 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -5.003 9.635 1.811 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -6.079 9.293 3.187 1.00 0.00 H new ATOM 28 N LYS A 3 -5.088 8.825 5.762 1.00 0.00 N ATOM 29 CA LYS A 3 -5.483 9.031 7.174 1.00 0.00 C ATOM 30 C LYS A 3 -4.490 8.457 8.188 1.00 0.00 C ATOM 31 O LYS A 3 -3.848 9.199 8.937 1.00 0.00 O ATOM 32 CB LYS A 3 -6.866 8.402 7.336 1.00 0.00 C ATOM 33 CG LYS A 3 -7.557 8.870 8.622 1.00 0.00 C ATOM 34 CD LYS A 3 -8.899 8.162 8.782 1.00 0.00 C ATOM 35 CE LYS A 3 -9.663 8.691 9.995 1.00 0.00 C ATOM 36 NZ LYS A 3 -10.022 10.102 9.781 1.00 0.00 N ATOM 0 H LYS A 3 -5.649 8.120 5.284 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.495 10.100 7.388 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -7.485 8.659 6.476 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -6.772 7.316 7.348 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -6.922 8.661 9.483 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -7.707 9.949 8.592 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -9.497 8.304 7.882 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -8.736 7.090 8.891 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -10.563 8.098 10.157 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -9.052 8.594 10.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -10.793 10.366 10.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -9.194 10.703 9.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -10.333 10.236 8.798 1.00 0.00 H new ATOM 50 N GLU A 4 -4.297 7.141 8.121 1.00 0.00 N ATOM 51 CA GLU A 4 -3.529 6.366 9.114 1.00 0.00 C ATOM 52 C GLU A 4 -2.016 6.592 9.098 1.00 0.00 C ATOM 53 O GLU A 4 -1.386 6.623 10.151 1.00 0.00 O ATOM 54 CB GLU A 4 -3.834 4.883 8.890 1.00 0.00 C ATOM 55 CG GLU A 4 -4.955 4.344 9.790 1.00 0.00 C ATOM 56 CD GLU A 4 -6.315 5.002 9.541 1.00 0.00 C ATOM 57 OE1 GLU A 4 -6.918 4.668 8.492 1.00 0.00 O ATOM 58 OE2 GLU A 4 -6.745 5.782 10.414 1.00 0.00 O ATOM 0 H GLU A 4 -4.673 6.567 7.366 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.847 6.716 10.096 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.112 4.731 7.847 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.928 4.304 9.066 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.048 3.269 9.635 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.675 4.493 10.833 1.00 0.00 H new ATOM 65 N PHE A 5 -1.458 6.762 7.898 1.00 0.00 N ATOM 66 CA PHE A 5 0.006 6.818 7.713 1.00 0.00 C ATOM 67 C PHE A 5 0.602 8.190 7.382 1.00 0.00 C ATOM 68 O PHE A 5 1.811 8.369 7.557 1.00 0.00 O ATOM 69 CB PHE A 5 0.433 5.793 6.654 1.00 0.00 C ATOM 70 CG PHE A 5 0.063 4.355 7.039 1.00 0.00 C ATOM 71 CD1 PHE A 5 0.595 3.769 8.212 1.00 0.00 C ATOM 72 CD2 PHE A 5 -0.935 3.700 6.285 1.00 0.00 C ATOM 73 CE1 PHE A 5 0.112 2.512 8.649 1.00 0.00 C ATOM 74 CE2 PHE A 5 -1.418 2.452 6.717 1.00 0.00 C ATOM 75 CZ PHE A 5 -0.895 1.867 7.895 1.00 0.00 C ATOM 0 H PHE A 5 -1.992 6.864 7.035 1.00 0.00 H new ATOM 0 HA PHE A 5 0.414 6.579 8.695 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -0.037 6.042 5.703 1.00 0.00 H new ATOM 0 HB3 PHE A 5 1.511 5.859 6.504 1.00 0.00 H new ATOM 0 HD1 PHE A 5 1.366 4.278 8.771 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -1.324 4.153 5.385 1.00 0.00 H new ATOM 0 HE1 PHE A 5 0.506 2.053 9.544 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -2.185 1.942 6.152 1.00 0.00 H new ATOM 0 HZ PHE A 5 -1.272 0.910 8.224 1.00 0.00 H new ATOM 85 N GLY A 6 -0.243 9.141 6.968 1.00 0.00 N ATOM 86 CA GLY A 6 0.189 10.486 6.531 1.00 0.00 C ATOM 87 C GLY A 6 0.725 10.493 5.086 1.00 0.00 C ATOM 88 O GLY A 6 1.799 11.007 4.787 1.00 0.00 O ATOM 0 H GLY A 6 -1.253 9.005 6.924 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -0.651 11.176 6.607 1.00 0.00 H new ATOM 0 HA3 GLY A 6 0.964 10.852 7.204 1.00 0.00 H new ATOM 92 N ILE A 7 -0.126 9.978 4.201 1.00 0.00 N ATOM 93 CA ILE A 7 0.171 9.852 2.755 1.00 0.00 C ATOM 94 C ILE A 7 -0.722 10.778 1.909 1.00 0.00 C ATOM 95 O ILE A 7 -1.852 11.092 2.304 1.00 0.00 O ATOM 96 CB ILE A 7 0.078 8.343 2.446 1.00 0.00 C ATOM 97 CG1 ILE A 7 1.479 7.726 2.469 1.00 0.00 C ATOM 98 CG2 ILE A 7 -0.675 7.960 1.161 1.00 0.00 C ATOM 99 CD1 ILE A 7 1.479 6.414 3.263 1.00 0.00 C ATOM 0 H ILE A 7 -1.050 9.631 4.458 1.00 0.00 H new ATOM 0 HA ILE A 7 1.169 10.198 2.486 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.543 7.926 3.239 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.817 7.540 1.450 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.184 8.427 2.916 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.675 6.876 1.049 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -1.702 8.319 1.221 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.182 8.413 0.301 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.484 5.991 3.267 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.163 6.609 4.288 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.790 5.708 2.799 1.00 0.00 H new ATOM 111 N PRO A 8 -0.201 11.270 0.787 1.00 0.00 N ATOM 112 CA PRO A 8 -1.045 11.853 -0.265 1.00 0.00 C ATOM 113 C PRO A 8 -1.538 10.736 -1.201 1.00 0.00 C ATOM 114 O PRO A 8 -0.837 9.745 -1.435 1.00 0.00 O ATOM 115 CB PRO A 8 -0.139 12.829 -1.006 1.00 0.00 C ATOM 116 CG PRO A 8 1.225 12.160 -0.887 1.00 0.00 C ATOM 117 CD PRO A 8 1.218 11.596 0.538 1.00 0.00 C ATOM 0 HA PRO A 8 -1.928 12.355 0.129 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.441 12.955 -2.046 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -0.148 13.819 -0.549 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.353 11.373 -1.630 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.037 12.873 -1.034 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.851 10.712 0.621 1.00 0.00 H new ATOM 0 HD3 PRO A 8 1.592 12.324 1.257 1.00 0.00 H new ATOM 125 N ALA A 9 -2.684 10.982 -1.819 1.00 0.00 N ATOM 126 CA ALA A 9 -3.262 10.060 -2.808 1.00 0.00 C ATOM 127 C ALA A 9 -2.293 9.597 -3.907 1.00 0.00 C ATOM 128 O ALA A 9 -2.231 8.397 -4.197 1.00 0.00 O ATOM 129 CB ALA A 9 -4.487 10.724 -3.443 1.00 0.00 C ATOM 0 H ALA A 9 -3.243 11.819 -1.656 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.529 9.155 -2.263 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.926 10.050 -4.179 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -5.223 10.945 -2.670 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.186 11.650 -3.933 1.00 0.00 H new ATOM 135 N ALA A 10 -1.394 10.513 -4.268 1.00 0.00 N ATOM 136 CA ALA A 10 -0.234 10.337 -5.156 1.00 0.00 C ATOM 137 C ALA A 10 0.518 9.002 -4.995 1.00 0.00 C ATOM 138 O ALA A 10 0.825 8.346 -5.988 1.00 0.00 O ATOM 139 CB ALA A 10 0.754 11.472 -4.866 1.00 0.00 C ATOM 0 H ALA A 10 -1.458 11.471 -3.924 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.625 10.344 -6.174 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.627 11.368 -5.511 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.273 12.431 -5.058 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.066 11.425 -3.823 1.00 0.00 H new ATOM 145 N VAL A 11 0.739 8.600 -3.751 1.00 0.00 N ATOM 146 CA VAL A 11 1.564 7.416 -3.435 1.00 0.00 C ATOM 147 C VAL A 11 0.752 6.158 -3.065 1.00 0.00 C ATOM 148 O VAL A 11 1.146 5.041 -3.370 1.00 0.00 O ATOM 149 CB VAL A 11 2.666 7.753 -2.411 1.00 0.00 C ATOM 150 CG1 VAL A 11 3.561 8.895 -2.880 1.00 0.00 C ATOM 151 CG2 VAL A 11 2.100 8.145 -1.044 1.00 0.00 C ATOM 0 H VAL A 11 0.360 9.073 -2.931 1.00 0.00 H new ATOM 0 HA VAL A 11 2.062 7.141 -4.364 1.00 0.00 H new ATOM 0 HB VAL A 11 3.247 6.835 -2.319 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.321 9.095 -2.125 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.044 8.617 -3.817 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.958 9.790 -3.034 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.920 8.372 -0.362 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.464 9.024 -1.152 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.513 7.319 -0.643 1.00 0.00 H new ATOM 161 N ALA A 12 -0.435 6.381 -2.496 1.00 0.00 N ATOM 162 CA ALA A 12 -1.417 5.290 -2.248 1.00 0.00 C ATOM 163 C ALA A 12 -1.986 4.708 -3.560 1.00 0.00 C ATOM 164 O ALA A 12 -2.295 3.518 -3.633 1.00 0.00 O ATOM 165 CB ALA A 12 -2.513 5.780 -1.326 1.00 0.00 C ATOM 0 H ALA A 12 -0.752 7.302 -2.194 1.00 0.00 H new ATOM 0 HA ALA A 12 -0.894 4.470 -1.756 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.227 4.976 -1.150 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.077 6.093 -0.377 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.025 6.625 -1.786 1.00 0.00 H new ATOM 171 N GLY A 13 -2.072 5.559 -4.581 1.00 0.00 N ATOM 172 CA GLY A 13 -2.358 5.163 -5.966 1.00 0.00 C ATOM 173 C GLY A 13 -1.252 4.254 -6.568 1.00 0.00 C ATOM 174 O GLY A 13 -1.542 3.249 -7.217 1.00 0.00 O ATOM 0 H GLY A 13 -1.943 6.565 -4.470 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.313 4.638 -6.000 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.463 6.057 -6.581 1.00 0.00 H new ATOM 178 N THR A 14 0.005 4.611 -6.316 1.00 0.00 N ATOM 179 CA THR A 14 1.177 3.809 -6.761 1.00 0.00 C ATOM 180 C THR A 14 1.227 2.408 -6.139 1.00 0.00 C ATOM 181 O THR A 14 1.449 1.435 -6.847 1.00 0.00 O ATOM 182 CB THR A 14 2.438 4.646 -6.475 1.00 0.00 C ATOM 183 OG1 THR A 14 2.140 6.000 -6.846 1.00 0.00 O ATOM 184 CG2 THR A 14 3.640 4.187 -7.303 1.00 0.00 C ATOM 0 H THR A 14 0.255 5.456 -5.802 1.00 0.00 H new ATOM 0 HA THR A 14 1.100 3.606 -7.829 1.00 0.00 H new ATOM 0 HB THR A 14 2.695 4.539 -5.421 1.00 0.00 H new ATOM 0 HG1 THR A 14 2.922 6.566 -6.676 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.504 4.808 -7.066 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.866 3.146 -7.070 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.408 4.279 -8.364 1.00 0.00 H new ATOM 192 N VAL A 15 0.837 2.295 -4.863 1.00 0.00 N ATOM 193 CA VAL A 15 0.581 0.996 -4.178 1.00 0.00 C ATOM 194 C VAL A 15 -0.357 0.063 -4.969 1.00 0.00 C ATOM 195 O VAL A 15 -0.135 -1.148 -5.032 1.00 0.00 O ATOM 196 CB VAL A 15 0.064 1.369 -2.762 1.00 0.00 C ATOM 197 CG1 VAL A 15 -0.860 0.360 -2.081 1.00 0.00 C ATOM 198 CG2 VAL A 15 1.243 1.725 -1.858 1.00 0.00 C ATOM 0 H VAL A 15 0.685 3.104 -4.260 1.00 0.00 H new ATOM 0 HA VAL A 15 1.490 0.398 -4.106 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.582 2.232 -2.924 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.151 0.737 -1.100 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.751 0.212 -2.692 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.339 -0.590 -1.965 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.875 1.986 -0.866 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.915 0.870 -1.783 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.782 2.574 -2.280 1.00 0.00 H new ATOM 208 N LEU A 16 -1.357 0.654 -5.608 1.00 0.00 N ATOM 209 CA LEU A 16 -2.327 -0.065 -6.462 1.00 0.00 C ATOM 210 C LEU A 16 -1.697 -0.756 -7.673 1.00 0.00 C ATOM 211 O LEU A 16 -2.073 -1.873 -8.012 1.00 0.00 O ATOM 212 CB LEU A 16 -3.435 0.881 -6.911 1.00 0.00 C ATOM 213 CG LEU A 16 -4.240 1.353 -5.697 1.00 0.00 C ATOM 214 CD1 LEU A 16 -5.187 2.491 -6.091 1.00 0.00 C ATOM 215 CD2 LEU A 16 -4.982 0.190 -5.042 1.00 0.00 C ATOM 0 H LEU A 16 -1.530 1.658 -5.555 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.741 -0.861 -5.844 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.005 1.738 -7.429 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.091 0.376 -7.620 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.547 1.745 -4.953 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.751 2.814 -5.216 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.608 3.329 -6.479 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.877 2.141 -6.859 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.545 0.555 -4.183 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.668 -0.256 -5.762 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.264 -0.561 -4.713 1.00 0.00 H new ATOM 227 N ASN A 17 -0.693 -0.108 -8.270 1.00 0.00 N ATOM 228 CA ASN A 17 0.117 -0.696 -9.362 1.00 0.00 C ATOM 229 C ASN A 17 0.705 -2.057 -8.938 1.00 0.00 C ATOM 230 O ASN A 17 0.464 -3.065 -9.596 1.00 0.00 O ATOM 231 CB ASN A 17 1.217 0.283 -9.765 1.00 0.00 C ATOM 232 CG ASN A 17 1.951 -0.146 -11.043 1.00 0.00 C ATOM 233 OD1 ASN A 17 3.121 -0.503 -11.027 1.00 0.00 O ATOM 234 ND2 ASN A 17 1.268 -0.137 -12.166 1.00 0.00 N ATOM 0 H ASN A 17 -0.412 0.839 -8.016 1.00 0.00 H new ATOM 0 HA ASN A 17 -0.524 -0.876 -10.225 1.00 0.00 H new ATOM 0 HB2 ASN A 17 0.782 1.271 -9.915 1.00 0.00 H new ATOM 0 HB3 ASN A 17 1.936 0.372 -8.950 1.00 0.00 H new ATOM 0 HD21 ASN A 17 1.713 -0.430 -13.036 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.293 0.163 -12.168 1.00 0.00 H new ATOM 241 N VAL A 18 1.277 -2.073 -7.734 1.00 0.00 N ATOM 242 CA VAL A 18 1.718 -3.319 -7.059 1.00 0.00 C ATOM 243 C VAL A 18 0.606 -4.386 -6.995 1.00 0.00 C ATOM 244 O VAL A 18 0.747 -5.442 -7.597 1.00 0.00 O ATOM 245 CB VAL A 18 2.379 -3.023 -5.697 1.00 0.00 C ATOM 246 CG1 VAL A 18 2.360 -4.161 -4.655 1.00 0.00 C ATOM 247 CG2 VAL A 18 3.837 -2.671 -5.940 1.00 0.00 C ATOM 0 H VAL A 18 1.453 -1.229 -7.189 1.00 0.00 H new ATOM 0 HA VAL A 18 2.495 -3.767 -7.678 1.00 0.00 H new ATOM 0 HB VAL A 18 1.780 -2.217 -5.273 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.855 -3.827 -3.743 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.328 -4.431 -4.430 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.884 -5.029 -5.055 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.323 -2.458 -4.988 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.338 -3.510 -6.424 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.897 -1.793 -6.583 1.00 0.00 H new ATOM 257 N VAL A 19 -0.526 -3.995 -6.409 1.00 0.00 N ATOM 258 CA VAL A 19 -1.670 -4.900 -6.185 1.00 0.00 C ATOM 259 C VAL A 19 -2.212 -5.469 -7.516 1.00 0.00 C ATOM 260 O VAL A 19 -2.189 -6.687 -7.730 1.00 0.00 O ATOM 261 CB VAL A 19 -2.803 -4.225 -5.382 1.00 0.00 C ATOM 262 CG1 VAL A 19 -3.756 -5.287 -4.843 1.00 0.00 C ATOM 263 CG2 VAL A 19 -2.307 -3.469 -4.142 1.00 0.00 C ATOM 0 H VAL A 19 -0.683 -3.044 -6.074 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.294 -5.729 -5.586 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.272 -3.530 -6.078 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.554 -4.806 -4.277 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.186 -5.845 -5.674 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.210 -5.969 -4.192 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.156 -3.020 -3.626 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.800 -4.163 -3.471 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.612 -2.686 -4.447 1.00 0.00 H new ATOM 273 N GLU A 20 -2.476 -4.570 -8.456 1.00 0.00 N ATOM 274 CA GLU A 20 -3.082 -4.840 -9.772 1.00 0.00 C ATOM 275 C GLU A 20 -2.232 -5.677 -10.737 1.00 0.00 C ATOM 276 O GLU A 20 -2.753 -6.517 -11.465 1.00 0.00 O ATOM 277 CB GLU A 20 -3.378 -3.498 -10.445 1.00 0.00 C ATOM 278 CG GLU A 20 -4.806 -2.996 -10.234 1.00 0.00 C ATOM 279 CD GLU A 20 -4.993 -2.232 -8.913 1.00 0.00 C ATOM 280 OE1 GLU A 20 -4.830 -2.852 -7.844 1.00 0.00 O ATOM 281 OE2 GLU A 20 -5.318 -1.028 -9.007 1.00 0.00 O ATOM 0 H GLU A 20 -2.266 -3.581 -8.323 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.973 -5.434 -9.569 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.682 -2.751 -10.064 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.191 -3.591 -11.515 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.081 -2.345 -11.064 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.489 -3.845 -10.254 1.00 0.00 H new ATOM 288 N ALA A 21 -0.945 -5.327 -10.801 1.00 0.00 N ATOM 289 CA ALA A 21 -0.016 -5.864 -11.804 1.00 0.00 C ATOM 290 C ALA A 21 0.933 -6.979 -11.301 1.00 0.00 C ATOM 291 O ALA A 21 1.504 -7.700 -12.111 1.00 0.00 O ATOM 292 CB ALA A 21 0.823 -4.705 -12.342 1.00 0.00 C ATOM 0 H ALA A 21 -0.515 -4.662 -10.158 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.633 -6.335 -12.569 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.522 -5.079 -13.090 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.168 -3.962 -12.797 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.378 -4.247 -11.523 1.00 0.00 H new ATOM 298 N GLY A 22 0.993 -7.156 -9.980 1.00 0.00 N ATOM 299 CA GLY A 22 2.108 -7.879 -9.323 1.00 0.00 C ATOM 300 C GLY A 22 3.412 -7.088 -9.475 1.00 0.00 C ATOM 301 O GLY A 22 4.498 -7.660 -9.647 1.00 0.00 O ATOM 0 H GLY A 22 0.284 -6.811 -9.333 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.884 -8.026 -8.266 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.220 -8.869 -9.765 1.00 0.00 H new ATOM 305 N GLY A 23 3.291 -5.773 -9.305 1.00 0.00 N ATOM 306 CA GLY A 23 4.331 -4.780 -9.614 1.00 0.00 C ATOM 307 C GLY A 23 5.484 -4.745 -8.611 1.00 0.00 C ATOM 308 O GLY A 23 5.363 -5.134 -7.447 1.00 0.00 O ATOM 0 H GLY A 23 2.439 -5.350 -8.936 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.733 -4.989 -10.605 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.872 -3.792 -9.658 1.00 0.00 H new ATOM 312 N TRP A 24 6.598 -4.198 -9.106 1.00 0.00 N ATOM 313 CA TRP A 24 7.821 -3.958 -8.320 1.00 0.00 C ATOM 314 C TRP A 24 7.572 -2.990 -7.166 1.00 0.00 C ATOM 315 O TRP A 24 7.549 -1.764 -7.326 1.00 0.00 O ATOM 316 CB TRP A 24 8.929 -3.370 -9.191 1.00 0.00 C ATOM 317 CG TRP A 24 9.297 -4.279 -10.370 1.00 0.00 C ATOM 318 CD1 TRP A 24 8.940 -4.071 -11.631 1.00 0.00 C ATOM 319 CD2 TRP A 24 10.216 -5.311 -10.353 1.00 0.00 C ATOM 320 NE1 TRP A 24 9.603 -4.909 -12.433 1.00 0.00 N ATOM 321 CE2 TRP A 24 10.403 -5.683 -11.701 1.00 0.00 C ATOM 322 CE3 TRP A 24 10.960 -5.931 -9.321 1.00 0.00 C ATOM 323 CZ2 TRP A 24 11.356 -6.665 -12.045 1.00 0.00 C ATOM 324 CZ3 TRP A 24 11.910 -6.917 -9.673 1.00 0.00 C ATOM 325 CH2 TRP A 24 12.109 -7.278 -11.021 1.00 0.00 C ATOM 0 H TRP A 24 6.681 -3.903 -10.079 1.00 0.00 H new ATOM 0 HA TRP A 24 8.124 -4.928 -7.926 1.00 0.00 H new ATOM 0 HB2 TRP A 24 8.611 -2.399 -9.571 1.00 0.00 H new ATOM 0 HB3 TRP A 24 9.815 -3.198 -8.579 1.00 0.00 H new ATOM 0 HD1 TRP A 24 8.221 -3.335 -11.960 1.00 0.00 H new ATOM 0 HE1 TRP A 24 9.511 -4.950 -13.448 1.00 0.00 H new ATOM 0 HE3 TRP A 24 10.805 -5.657 -8.288 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 11.507 -6.944 -13.077 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 12.490 -7.399 -8.900 1.00 0.00 H new ATOM 0 HH2 TRP A 24 12.843 -8.029 -11.272 1.00 0.00 H new ATOM 336 N VAL A 25 7.471 -3.570 -5.982 1.00 0.00 N ATOM 337 CA VAL A 25 7.332 -2.790 -4.742 1.00 0.00 C ATOM 338 C VAL A 25 8.431 -1.734 -4.523 1.00 0.00 C ATOM 339 O VAL A 25 8.127 -0.655 -4.018 1.00 0.00 O ATOM 340 CB VAL A 25 7.113 -3.729 -3.543 1.00 0.00 C ATOM 341 CG1 VAL A 25 8.402 -4.360 -2.980 1.00 0.00 C ATOM 342 CG2 VAL A 25 6.343 -2.980 -2.471 1.00 0.00 C ATOM 0 H VAL A 25 7.482 -4.580 -5.843 1.00 0.00 H new ATOM 0 HA VAL A 25 6.436 -2.178 -4.848 1.00 0.00 H new ATOM 0 HB VAL A 25 6.535 -4.581 -3.902 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.153 -5.006 -2.138 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.889 -4.948 -3.758 1.00 0.00 H new ATOM 0 HG13 VAL A 25 9.077 -3.572 -2.645 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.181 -3.635 -1.615 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.914 -2.106 -2.157 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.381 -2.660 -2.871 1.00 0.00 H new ATOM 352 N THR A 26 9.592 -1.945 -5.134 1.00 0.00 N ATOM 353 CA THR A 26 10.761 -1.041 -5.038 1.00 0.00 C ATOM 354 C THR A 26 10.484 0.384 -5.555 1.00 0.00 C ATOM 355 O THR A 26 10.737 1.370 -4.854 1.00 0.00 O ATOM 356 CB THR A 26 12.013 -1.657 -5.694 1.00 0.00 C ATOM 357 OG1 THR A 26 13.071 -0.693 -5.714 1.00 0.00 O ATOM 358 CG2 THR A 26 11.797 -2.214 -7.111 1.00 0.00 C ATOM 0 H THR A 26 9.763 -2.760 -5.723 1.00 0.00 H new ATOM 0 HA THR A 26 10.964 -0.931 -3.973 1.00 0.00 H new ATOM 0 HB THR A 26 12.271 -2.517 -5.077 1.00 0.00 H new ATOM 0 HG1 THR A 26 13.866 -1.088 -6.130 1.00 0.00 H new ATOM 0 HG21 THR A 26 12.734 -2.625 -7.487 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.042 -2.999 -7.082 1.00 0.00 H new ATOM 0 HG23 THR A 26 11.462 -1.413 -7.770 1.00 0.00 H new ATOM 366 N THR A 27 9.812 0.458 -6.706 1.00 0.00 N ATOM 367 CA THR A 27 9.383 1.731 -7.329 1.00 0.00 C ATOM 368 C THR A 27 8.339 2.429 -6.445 1.00 0.00 C ATOM 369 O THR A 27 8.565 3.555 -5.991 1.00 0.00 O ATOM 370 CB THR A 27 8.787 1.425 -8.716 1.00 0.00 C ATOM 371 OG1 THR A 27 9.447 0.283 -9.280 1.00 0.00 O ATOM 372 CG2 THR A 27 8.935 2.636 -9.648 1.00 0.00 C ATOM 0 H THR A 27 9.544 -0.366 -7.244 1.00 0.00 H new ATOM 0 HA THR A 27 10.240 2.397 -7.435 1.00 0.00 H new ATOM 0 HB THR A 27 7.724 1.209 -8.604 1.00 0.00 H new ATOM 0 HG1 THR A 27 9.066 0.088 -10.162 1.00 0.00 H new ATOM 0 HG21 THR A 27 8.508 2.399 -10.623 1.00 0.00 H new ATOM 0 HG22 THR A 27 8.411 3.491 -9.220 1.00 0.00 H new ATOM 0 HG23 THR A 27 9.991 2.879 -9.764 1.00 0.00 H new ATOM 380 N ILE A 28 7.368 1.651 -5.990 1.00 0.00 N ATOM 381 CA ILE A 28 6.293 2.101 -5.080 1.00 0.00 C ATOM 382 C ILE A 28 6.860 2.652 -3.763 1.00 0.00 C ATOM 383 O ILE A 28 6.668 3.831 -3.462 1.00 0.00 O ATOM 384 CB ILE A 28 5.300 0.921 -4.938 1.00 0.00 C ATOM 385 CG1 ILE A 28 4.401 0.806 -6.176 1.00 0.00 C ATOM 386 CG2 ILE A 28 4.426 0.957 -3.690 1.00 0.00 C ATOM 387 CD1 ILE A 28 5.052 0.280 -7.461 1.00 0.00 C ATOM 0 H ILE A 28 7.292 0.665 -6.241 1.00 0.00 H new ATOM 0 HA ILE A 28 5.745 2.953 -5.482 1.00 0.00 H new ATOM 0 HB ILE A 28 5.940 0.044 -4.840 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.564 0.153 -5.928 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.985 1.791 -6.386 1.00 0.00 H new ATOM 0 HG21 ILE A 28 3.766 0.089 -3.683 1.00 0.00 H new ATOM 0 HG22 ILE A 28 5.058 0.939 -2.802 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.828 1.868 -3.691 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.309 0.248 -8.258 1.00 0.00 H new ATOM 0 HD12 ILE A 28 5.869 0.941 -7.752 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.441 -0.723 -7.287 1.00 0.00 H new ATOM 399 N VAL A 29 7.728 1.863 -3.128 1.00 0.00 N ATOM 400 CA VAL A 29 8.441 2.232 -1.890 1.00 0.00 C ATOM 401 C VAL A 29 9.177 3.579 -2.040 1.00 0.00 C ATOM 402 O VAL A 29 8.844 4.485 -1.280 1.00 0.00 O ATOM 403 CB VAL A 29 9.371 1.086 -1.423 1.00 0.00 C ATOM 404 CG1 VAL A 29 10.350 1.463 -0.314 1.00 0.00 C ATOM 405 CG2 VAL A 29 8.531 -0.098 -0.932 1.00 0.00 C ATOM 0 H VAL A 29 7.964 0.929 -3.462 1.00 0.00 H new ATOM 0 HA VAL A 29 7.702 2.377 -1.102 1.00 0.00 H new ATOM 0 HB VAL A 29 9.968 0.834 -2.299 1.00 0.00 H new ATOM 0 HG11 VAL A 29 10.958 0.596 -0.055 1.00 0.00 H new ATOM 0 HG12 VAL A 29 10.997 2.270 -0.659 1.00 0.00 H new ATOM 0 HG13 VAL A 29 9.795 1.793 0.564 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.191 -0.901 -0.605 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.906 0.221 -0.098 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.898 -0.456 -1.744 1.00 0.00 H new ATOM 415 N SER A 30 9.938 3.768 -3.111 1.00 0.00 N ATOM 416 CA SER A 30 10.669 5.036 -3.326 1.00 0.00 C ATOM 417 C SER A 30 9.792 6.286 -3.468 1.00 0.00 C ATOM 418 O SER A 30 10.115 7.323 -2.889 1.00 0.00 O ATOM 419 CB SER A 30 11.769 4.986 -4.401 1.00 0.00 C ATOM 420 OG SER A 30 11.444 4.095 -5.476 1.00 0.00 O ATOM 0 H SER A 30 10.072 3.073 -3.845 1.00 0.00 H new ATOM 0 HA SER A 30 11.187 5.146 -2.373 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.929 5.988 -4.799 1.00 0.00 H new ATOM 0 HB3 SER A 30 12.707 4.671 -3.943 1.00 0.00 H new ATOM 0 HG SER A 30 10.471 4.050 -5.581 1.00 0.00 H new ATOM 426 N ILE A 31 8.579 6.094 -3.991 1.00 0.00 N ATOM 427 CA ILE A 31 7.560 7.156 -4.138 1.00 0.00 C ATOM 428 C ILE A 31 6.902 7.452 -2.775 1.00 0.00 C ATOM 429 O ILE A 31 6.783 8.603 -2.358 1.00 0.00 O ATOM 430 CB ILE A 31 6.548 6.747 -5.239 1.00 0.00 C ATOM 431 CG1 ILE A 31 7.205 6.273 -6.555 1.00 0.00 C ATOM 432 CG2 ILE A 31 5.543 7.862 -5.544 1.00 0.00 C ATOM 433 CD1 ILE A 31 8.283 7.191 -7.160 1.00 0.00 C ATOM 0 H ILE A 31 8.264 5.186 -4.332 1.00 0.00 H new ATOM 0 HA ILE A 31 8.021 8.089 -4.461 1.00 0.00 H new ATOM 0 HB ILE A 31 6.022 5.892 -4.814 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.651 5.294 -6.379 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.419 6.136 -7.298 1.00 0.00 H new ATOM 0 HG21 ILE A 31 4.855 7.529 -6.321 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.982 8.103 -4.641 1.00 0.00 H new ATOM 0 HG23 ILE A 31 6.076 8.749 -5.887 1.00 0.00 H new ATOM 0 HD11 ILE A 31 8.665 6.747 -8.079 1.00 0.00 H new ATOM 0 HD12 ILE A 31 7.848 8.166 -7.381 1.00 0.00 H new ATOM 0 HD13 ILE A 31 9.100 7.311 -6.448 1.00 0.00 H new ATOM 445 N LEU A 32 6.591 6.376 -2.048 1.00 0.00 N ATOM 446 CA LEU A 32 6.096 6.409 -0.656 1.00 0.00 C ATOM 447 C LEU A 32 7.041 7.172 0.284 1.00 0.00 C ATOM 448 O LEU A 32 6.661 8.155 0.914 1.00 0.00 O ATOM 449 CB LEU A 32 5.902 4.975 -0.148 1.00 0.00 C ATOM 450 CG LEU A 32 4.507 4.359 -0.368 1.00 0.00 C ATOM 451 CD1 LEU A 32 3.460 5.059 0.479 1.00 0.00 C ATOM 452 CD2 LEU A 32 4.068 4.325 -1.828 1.00 0.00 C ATOM 0 H LEU A 32 6.676 5.428 -2.415 1.00 0.00 H new ATOM 0 HA LEU A 32 5.145 6.941 -0.658 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.639 4.336 -0.635 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.120 4.957 0.920 1.00 0.00 H new ATOM 0 HG LEU A 32 4.597 3.320 -0.050 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.486 4.603 0.303 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.721 4.963 1.533 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.421 6.115 0.210 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.077 3.877 -1.900 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.037 5.341 -2.222 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.776 3.732 -2.407 1.00 0.00 H new ATOM 464 N THR A 33 8.304 6.739 0.322 1.00 0.00 N ATOM 465 CA THR A 33 9.378 7.363 1.118 1.00 0.00 C ATOM 466 C THR A 33 9.736 8.797 0.705 1.00 0.00 C ATOM 467 O THR A 33 10.180 9.568 1.544 1.00 0.00 O ATOM 468 CB THR A 33 10.659 6.528 1.119 1.00 0.00 C ATOM 469 OG1 THR A 33 10.903 5.974 -0.170 1.00 0.00 O ATOM 470 CG2 THR A 33 10.598 5.443 2.200 1.00 0.00 C ATOM 0 H THR A 33 8.621 5.928 -0.209 1.00 0.00 H new ATOM 0 HA THR A 33 8.952 7.406 2.121 1.00 0.00 H new ATOM 0 HB THR A 33 11.498 7.182 1.357 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.577 6.591 -0.858 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.519 4.861 2.183 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.482 5.910 3.178 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.750 4.786 2.008 1.00 0.00 H new ATOM 478 N ALA A 34 9.582 9.102 -0.579 1.00 0.00 N ATOM 479 CA ALA A 34 9.725 10.479 -1.107 1.00 0.00 C ATOM 480 C ALA A 34 8.860 11.536 -0.390 1.00 0.00 C ATOM 481 O ALA A 34 9.182 12.720 -0.393 1.00 0.00 O ATOM 482 CB ALA A 34 9.429 10.503 -2.616 1.00 0.00 C ATOM 0 H ALA A 34 9.354 8.411 -1.294 1.00 0.00 H new ATOM 0 HA ALA A 34 10.761 10.758 -0.912 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.537 11.520 -2.992 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.129 9.848 -3.135 1.00 0.00 H new ATOM 0 HB3 ALA A 34 8.410 10.158 -2.792 1.00 0.00 H new ATOM 488 N VAL A 35 7.755 11.074 0.204 1.00 0.00 N ATOM 489 CA VAL A 35 6.866 11.884 1.077 1.00 0.00 C ATOM 490 C VAL A 35 7.510 12.139 2.470 1.00 0.00 C ATOM 491 O VAL A 35 7.266 13.170 3.096 1.00 0.00 O ATOM 492 CB VAL A 35 5.505 11.163 1.193 1.00 0.00 C ATOM 493 CG1 VAL A 35 4.477 11.911 2.042 1.00 0.00 C ATOM 494 CG2 VAL A 35 4.883 10.968 -0.194 1.00 0.00 C ATOM 0 H VAL A 35 7.438 10.110 0.096 1.00 0.00 H new ATOM 0 HA VAL A 35 6.714 12.868 0.633 1.00 0.00 H new ATOM 0 HB VAL A 35 5.731 10.214 1.679 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.549 11.341 2.075 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.862 12.036 3.054 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.286 12.890 1.603 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.925 10.459 -0.095 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.731 11.939 -0.664 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.551 10.367 -0.811 1.00 0.00 H new ATOM 504 N GLY A 36 8.353 11.198 2.904 1.00 0.00 N ATOM 505 CA GLY A 36 9.013 11.198 4.218 1.00 0.00 C ATOM 506 C GLY A 36 8.432 10.116 5.122 1.00 0.00 C ATOM 507 O GLY A 36 8.349 8.937 4.753 1.00 0.00 O ATOM 0 H GLY A 36 8.604 10.389 2.335 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.083 11.035 4.091 1.00 0.00 H new ATOM 0 HA3 GLY A 36 8.893 12.174 4.689 1.00 0.00 H new ATOM 511 N SER A 37 7.840 10.596 6.208 1.00 0.00 N ATOM 512 CA SER A 37 7.218 9.762 7.268 1.00 0.00 C ATOM 513 C SER A 37 6.161 8.771 6.760 1.00 0.00 C ATOM 514 O SER A 37 6.204 7.608 7.147 1.00 0.00 O ATOM 515 CB SER A 37 6.605 10.639 8.358 1.00 0.00 C ATOM 516 OG SER A 37 5.724 11.595 7.761 1.00 0.00 O ATOM 0 H SER A 37 7.769 11.596 6.395 1.00 0.00 H new ATOM 0 HA SER A 37 8.036 9.165 7.671 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.060 10.022 9.072 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.391 11.150 8.914 1.00 0.00 H new ATOM 0 HG SER A 37 5.329 12.157 8.460 1.00 0.00 H new ATOM 522 N GLY A 38 5.330 9.212 5.804 1.00 0.00 N ATOM 523 CA GLY A 38 4.259 8.407 5.178 1.00 0.00 C ATOM 524 C GLY A 38 4.743 7.047 4.642 1.00 0.00 C ATOM 525 O GLY A 38 4.147 6.007 4.917 1.00 0.00 O ATOM 0 H GLY A 38 5.381 10.161 5.433 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.468 8.239 5.909 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.820 8.976 4.358 1.00 0.00 H new ATOM 529 N GLY A 39 5.867 7.089 3.936 1.00 0.00 N ATOM 530 CA GLY A 39 6.555 5.875 3.447 1.00 0.00 C ATOM 531 C GLY A 39 6.910 4.920 4.596 1.00 0.00 C ATOM 532 O GLY A 39 6.319 3.848 4.726 1.00 0.00 O ATOM 0 H GLY A 39 6.335 7.958 3.681 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.917 5.359 2.730 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.464 6.160 2.917 1.00 0.00 H new ATOM 536 N LEU A 40 7.624 5.481 5.557 1.00 0.00 N ATOM 537 CA LEU A 40 8.129 4.755 6.746 1.00 0.00 C ATOM 538 C LEU A 40 7.054 4.123 7.637 1.00 0.00 C ATOM 539 O LEU A 40 7.213 2.988 8.090 1.00 0.00 O ATOM 540 CB LEU A 40 8.987 5.706 7.576 1.00 0.00 C ATOM 541 CG LEU A 40 10.336 6.006 6.895 1.00 0.00 C ATOM 542 CD1 LEU A 40 11.049 7.140 7.633 1.00 0.00 C ATOM 543 CD2 LEU A 40 11.229 4.757 6.822 1.00 0.00 C ATOM 0 H LEU A 40 7.882 6.468 5.548 1.00 0.00 H new ATOM 0 HA LEU A 40 8.705 3.914 6.359 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.445 6.638 7.735 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.166 5.270 8.559 1.00 0.00 H new ATOM 0 HG LEU A 40 10.135 6.317 5.870 1.00 0.00 H new ATOM 0 HD11 LEU A 40 12.002 7.348 7.147 1.00 0.00 H new ATOM 0 HD12 LEU A 40 10.428 8.035 7.611 1.00 0.00 H new ATOM 0 HD13 LEU A 40 11.226 6.846 8.668 1.00 0.00 H new ATOM 0 HD21 LEU A 40 12.171 5.011 6.335 1.00 0.00 H new ATOM 0 HD22 LEU A 40 11.428 4.393 7.830 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.722 3.980 6.249 1.00 0.00 H new ATOM 555 N SER A 41 5.970 4.855 7.858 1.00 0.00 N ATOM 556 CA SER A 41 4.796 4.356 8.601 1.00 0.00 C ATOM 557 C SER A 41 4.093 3.178 7.907 1.00 0.00 C ATOM 558 O SER A 41 3.919 2.131 8.529 1.00 0.00 O ATOM 559 CB SER A 41 3.818 5.494 8.898 1.00 0.00 C ATOM 560 OG SER A 41 3.495 6.152 7.674 1.00 0.00 O ATOM 0 H SER A 41 5.869 5.816 7.530 1.00 0.00 H new ATOM 0 HA SER A 41 5.171 3.964 9.546 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.915 5.103 9.366 1.00 0.00 H new ATOM 0 HB3 SER A 41 4.262 6.200 9.600 1.00 0.00 H new ATOM 0 HG SER A 41 4.049 5.790 6.952 1.00 0.00 H new ATOM 566 N LEU A 42 3.921 3.279 6.581 1.00 0.00 N ATOM 567 CA LEU A 42 3.381 2.171 5.773 1.00 0.00 C ATOM 568 C LEU A 42 4.305 0.948 5.855 1.00 0.00 C ATOM 569 O LEU A 42 3.879 -0.149 6.204 1.00 0.00 O ATOM 570 CB LEU A 42 3.232 2.606 4.306 1.00 0.00 C ATOM 571 CG LEU A 42 2.562 1.510 3.466 1.00 0.00 C ATOM 572 CD1 LEU A 42 1.039 1.560 3.621 1.00 0.00 C ATOM 573 CD2 LEU A 42 2.957 1.636 1.997 1.00 0.00 C ATOM 0 H LEU A 42 4.147 4.116 6.043 1.00 0.00 H new ATOM 0 HA LEU A 42 2.401 1.903 6.169 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.641 3.520 4.254 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.213 2.837 3.891 1.00 0.00 H new ATOM 0 HG LEU A 42 2.910 0.544 3.832 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.586 0.774 3.017 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.775 1.411 4.668 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.671 2.531 3.289 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.471 0.849 1.421 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.644 2.609 1.618 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.039 1.540 1.902 1.00 0.00 H new ATOM 585 N LEU A 43 5.593 1.220 5.685 1.00 0.00 N ATOM 586 CA LEU A 43 6.651 0.183 5.727 1.00 0.00 C ATOM 587 C LEU A 43 6.738 -0.576 7.054 1.00 0.00 C ATOM 588 O LEU A 43 6.773 -1.798 7.047 1.00 0.00 O ATOM 589 CB LEU A 43 8.009 0.763 5.321 1.00 0.00 C ATOM 590 CG LEU A 43 7.973 1.305 3.878 1.00 0.00 C ATOM 591 CD1 LEU A 43 9.318 1.925 3.505 1.00 0.00 C ATOM 592 CD2 LEU A 43 7.548 0.234 2.873 1.00 0.00 C ATOM 0 H LEU A 43 5.947 2.161 5.513 1.00 0.00 H new ATOM 0 HA LEU A 43 6.356 -0.565 4.991 1.00 0.00 H new ATOM 0 HB2 LEU A 43 8.285 1.564 6.007 1.00 0.00 H new ATOM 0 HB3 LEU A 43 8.776 -0.007 5.404 1.00 0.00 H new ATOM 0 HG LEU A 43 7.215 2.087 3.836 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.274 2.302 2.483 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.541 2.746 4.186 1.00 0.00 H new ATOM 0 HD13 LEU A 43 10.100 1.169 3.579 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.537 0.660 1.870 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.253 -0.597 2.906 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.551 -0.126 3.125 1.00 0.00 H new ATOM 604 N ALA A 44 6.560 0.145 8.161 1.00 0.00 N ATOM 605 CA ALA A 44 6.471 -0.466 9.503 1.00 0.00 C ATOM 606 C ALA A 44 5.271 -1.422 9.633 1.00 0.00 C ATOM 607 O ALA A 44 5.469 -2.608 9.923 1.00 0.00 O ATOM 608 CB ALA A 44 6.416 0.615 10.579 1.00 0.00 C ATOM 0 H ALA A 44 6.473 1.161 8.162 1.00 0.00 H new ATOM 0 HA ALA A 44 7.372 -1.063 9.645 1.00 0.00 H new ATOM 0 HB1 ALA A 44 6.351 0.147 11.561 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.317 1.226 10.527 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.541 1.245 10.418 1.00 0.00 H new ATOM 614 N ALA A 45 4.108 -0.986 9.141 1.00 0.00 N ATOM 615 CA ALA A 45 2.880 -1.810 9.139 1.00 0.00 C ATOM 616 C ALA A 45 2.972 -3.050 8.230 1.00 0.00 C ATOM 617 O ALA A 45 2.474 -4.121 8.549 1.00 0.00 O ATOM 618 CB ALA A 45 1.703 -0.925 8.707 1.00 0.00 C ATOM 0 H ALA A 45 3.984 -0.059 8.734 1.00 0.00 H new ATOM 0 HA ALA A 45 2.737 -2.192 10.150 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.787 -1.516 8.699 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.595 -0.097 9.407 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.890 -0.533 7.707 1.00 0.00 H new ATOM 624 N ALA A 46 3.712 -2.873 7.138 1.00 0.00 N ATOM 625 CA ALA A 46 3.980 -3.870 6.102 1.00 0.00 C ATOM 626 C ALA A 46 5.000 -4.976 6.445 1.00 0.00 C ATOM 627 O ALA A 46 4.945 -6.057 5.850 1.00 0.00 O ATOM 628 CB ALA A 46 4.468 -3.121 4.868 1.00 0.00 C ATOM 0 H ALA A 46 4.166 -1.981 6.941 1.00 0.00 H new ATOM 0 HA ALA A 46 3.042 -4.407 5.960 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.679 -3.833 4.070 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.698 -2.424 4.538 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.376 -2.570 5.112 1.00 0.00 H new ATOM 634 N GLY A 47 5.861 -4.701 7.430 1.00 0.00 N ATOM 635 CA GLY A 47 6.998 -5.560 7.806 1.00 0.00 C ATOM 636 C GLY A 47 6.620 -7.023 8.035 1.00 0.00 C ATOM 637 O GLY A 47 7.122 -7.934 7.384 1.00 0.00 O ATOM 0 H GLY A 47 5.789 -3.859 8.002 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.754 -5.509 7.023 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.453 -5.166 8.715 1.00 0.00 H new ATOM 641 N ARG A 48 5.458 -7.126 8.670 1.00 0.00 N ATOM 642 CA ARG A 48 4.830 -8.362 9.114 1.00 0.00 C ATOM 643 C ARG A 48 4.515 -9.391 8.010 1.00 0.00 C ATOM 644 O ARG A 48 4.852 -10.573 8.124 1.00 0.00 O ATOM 645 CB ARG A 48 3.593 -7.838 9.850 1.00 0.00 C ATOM 646 CG ARG A 48 2.836 -8.917 10.602 1.00 0.00 C ATOM 647 CD ARG A 48 3.802 -9.836 11.348 1.00 0.00 C ATOM 648 NE ARG A 48 3.102 -11.113 11.221 1.00 0.00 N ATOM 649 CZ ARG A 48 2.940 -11.985 12.198 1.00 0.00 C ATOM 650 NH1 ARG A 48 3.002 -11.560 13.437 1.00 0.00 N ATOM 651 NH2 ARG A 48 2.150 -13.020 12.044 1.00 0.00 N ATOM 0 H ARG A 48 4.900 -6.304 8.901 1.00 0.00 H new ATOM 0 HA ARG A 48 5.496 -8.963 9.734 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.899 -7.063 10.552 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.922 -7.369 9.130 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.145 -8.458 11.309 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.237 -9.501 9.904 1.00 0.00 H new ATOM 0 HD2 ARG A 48 4.791 -9.858 10.891 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.938 -9.539 12.388 1.00 0.00 H new ATOM 0 HE ARG A 48 2.710 -11.347 10.309 1.00 0.00 H new ATOM 0 HH11 ARG A 48 3.173 -10.573 13.630 1.00 0.00 H new ATOM 0 HH12 ARG A 48 2.880 -12.216 14.208 1.00 0.00 H new ATOM 0 HH21 ARG A 48 1.654 -13.157 11.163 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.031 -13.689 12.805 1.00 0.00 H new ATOM 665 N GLU A 49 3.871 -8.913 6.960 1.00 0.00 N ATOM 666 CA GLU A 49 3.402 -9.775 5.863 1.00 0.00 C ATOM 667 C GLU A 49 4.112 -9.489 4.529 1.00 0.00 C ATOM 668 O GLU A 49 3.616 -9.870 3.468 1.00 0.00 O ATOM 669 CB GLU A 49 1.890 -9.567 5.780 1.00 0.00 C ATOM 670 CG GLU A 49 1.183 -10.801 5.216 1.00 0.00 C ATOM 671 CD GLU A 49 -0.201 -10.398 4.698 1.00 0.00 C ATOM 672 OE1 GLU A 49 -1.138 -10.379 5.530 1.00 0.00 O ATOM 673 OE2 GLU A 49 -0.273 -10.055 3.502 1.00 0.00 O ATOM 0 H GLU A 49 3.654 -7.924 6.834 1.00 0.00 H new ATOM 0 HA GLU A 49 3.642 -10.819 6.066 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.498 -9.344 6.772 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.675 -8.704 5.150 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.773 -11.236 4.410 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.087 -11.564 5.988 1.00 0.00 H new ATOM 680 N SER A 50 5.353 -9.021 4.607 1.00 0.00 N ATOM 681 CA SER A 50 6.171 -8.536 3.472 1.00 0.00 C ATOM 682 C SER A 50 5.425 -7.548 2.561 1.00 0.00 C ATOM 683 O SER A 50 4.478 -7.909 1.871 1.00 0.00 O ATOM 684 CB SER A 50 6.757 -9.690 2.630 1.00 0.00 C ATOM 685 OG SER A 50 5.723 -10.409 1.953 1.00 0.00 O ATOM 0 H SER A 50 5.849 -8.962 5.496 1.00 0.00 H new ATOM 0 HA SER A 50 6.995 -7.995 3.937 1.00 0.00 H new ATOM 0 HB2 SER A 50 7.463 -9.291 1.902 1.00 0.00 H new ATOM 0 HB3 SER A 50 7.314 -10.369 3.276 1.00 0.00 H new ATOM 0 HG SER A 50 4.931 -10.462 2.528 1.00 0.00 H new ATOM 691 N ILE A 51 5.995 -6.360 2.441 1.00 0.00 N ATOM 692 CA ILE A 51 5.382 -5.210 1.724 1.00 0.00 C ATOM 693 C ILE A 51 4.662 -5.510 0.380 1.00 0.00 C ATOM 694 O ILE A 51 3.501 -5.170 0.222 1.00 0.00 O ATOM 695 CB ILE A 51 6.399 -4.039 1.650 1.00 0.00 C ATOM 696 CG1 ILE A 51 5.867 -2.772 0.956 1.00 0.00 C ATOM 697 CG2 ILE A 51 7.732 -4.453 1.006 1.00 0.00 C ATOM 698 CD1 ILE A 51 4.654 -2.111 1.608 1.00 0.00 C ATOM 0 H ILE A 51 6.910 -6.145 2.838 1.00 0.00 H new ATOM 0 HA ILE A 51 4.529 -4.910 2.332 1.00 0.00 H new ATOM 0 HB ILE A 51 6.569 -3.784 2.696 1.00 0.00 H new ATOM 0 HG12 ILE A 51 6.674 -2.041 0.911 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.609 -3.026 -0.072 1.00 0.00 H new ATOM 0 HG21 ILE A 51 8.405 -3.596 0.980 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.186 -5.253 1.591 1.00 0.00 H new ATOM 0 HG23 ILE A 51 7.552 -4.804 -0.010 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.368 -1.230 1.034 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.823 -2.816 1.629 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.905 -1.815 2.627 1.00 0.00 H new ATOM 710 N LYS A 52 5.311 -6.299 -0.480 1.00 0.00 N ATOM 711 CA LYS A 52 4.769 -6.749 -1.777 1.00 0.00 C ATOM 712 C LYS A 52 3.474 -7.568 -1.616 1.00 0.00 C ATOM 713 O LYS A 52 2.386 -7.077 -1.901 1.00 0.00 O ATOM 714 CB LYS A 52 5.872 -7.562 -2.455 1.00 0.00 C ATOM 715 CG LYS A 52 5.828 -7.462 -3.987 1.00 0.00 C ATOM 716 CD LYS A 52 7.038 -8.203 -4.557 1.00 0.00 C ATOM 717 CE LYS A 52 7.294 -7.859 -6.029 1.00 0.00 C ATOM 718 NZ LYS A 52 6.235 -8.362 -6.897 1.00 0.00 N ATOM 0 H LYS A 52 6.249 -6.654 -0.295 1.00 0.00 H new ATOM 0 HA LYS A 52 4.488 -5.891 -2.388 1.00 0.00 H new ATOM 0 HB2 LYS A 52 6.843 -7.216 -2.100 1.00 0.00 H new ATOM 0 HB3 LYS A 52 5.780 -8.607 -2.161 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.904 -7.896 -4.368 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.842 -6.418 -4.299 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.922 -7.955 -3.970 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.882 -9.277 -4.460 1.00 0.00 H new ATOM 0 HE2 LYS A 52 7.372 -6.778 -6.141 1.00 0.00 H new ATOM 0 HE3 LYS A 52 8.250 -8.281 -6.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.445 -8.109 -7.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.177 -9.397 -6.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.327 -7.939 -6.617 1.00 0.00 H new ATOM 732 N ALA A 53 3.599 -8.709 -0.935 1.00 0.00 N ATOM 733 CA ALA A 53 2.478 -9.622 -0.619 1.00 0.00 C ATOM 734 C ALA A 53 1.363 -8.975 0.215 1.00 0.00 C ATOM 735 O ALA A 53 0.194 -9.079 -0.142 1.00 0.00 O ATOM 736 CB ALA A 53 3.054 -10.843 0.115 1.00 0.00 C ATOM 0 H ALA A 53 4.496 -9.038 -0.577 1.00 0.00 H new ATOM 0 HA ALA A 53 2.005 -9.906 -1.559 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.247 -11.534 0.360 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.779 -11.344 -0.526 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.545 -10.518 1.032 1.00 0.00 H new ATOM 742 N TYR A 54 1.792 -8.138 1.160 1.00 0.00 N ATOM 743 CA TYR A 54 0.930 -7.348 2.057 1.00 0.00 C ATOM 744 C TYR A 54 -0.144 -6.592 1.265 1.00 0.00 C ATOM 745 O TYR A 54 -1.292 -7.016 1.243 1.00 0.00 O ATOM 746 CB TYR A 54 1.854 -6.392 2.829 1.00 0.00 C ATOM 747 CG TYR A 54 1.141 -5.491 3.843 1.00 0.00 C ATOM 748 CD1 TYR A 54 0.828 -5.996 5.121 1.00 0.00 C ATOM 749 CD2 TYR A 54 0.957 -4.133 3.515 1.00 0.00 C ATOM 750 CE1 TYR A 54 0.328 -5.114 6.106 1.00 0.00 C ATOM 751 CE2 TYR A 54 0.453 -3.247 4.487 1.00 0.00 C ATOM 752 CZ TYR A 54 0.154 -3.757 5.775 1.00 0.00 C ATOM 753 OH TYR A 54 -0.206 -2.890 6.764 1.00 0.00 O ATOM 0 H TYR A 54 2.785 -7.982 1.333 1.00 0.00 H new ATOM 0 HA TYR A 54 0.389 -7.992 2.750 1.00 0.00 H new ATOM 0 HB2 TYR A 54 2.607 -6.981 3.353 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.383 -5.763 2.113 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.968 -7.043 5.345 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.201 -3.774 2.526 1.00 0.00 H new ATOM 0 HE1 TYR A 54 0.084 -5.475 7.094 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.298 -2.203 4.256 1.00 0.00 H new ATOM 0 HH TYR A 54 -0.965 -2.348 6.463 1.00 0.00 H new ATOM 763 N LEU A 55 0.321 -5.699 0.394 1.00 0.00 N ATOM 764 CA LEU A 55 -0.575 -4.829 -0.407 1.00 0.00 C ATOM 765 C LEU A 55 -1.508 -5.580 -1.348 1.00 0.00 C ATOM 766 O LEU A 55 -2.709 -5.342 -1.309 1.00 0.00 O ATOM 767 CB LEU A 55 0.250 -3.808 -1.209 1.00 0.00 C ATOM 768 CG LEU A 55 1.053 -2.916 -0.271 1.00 0.00 C ATOM 769 CD1 LEU A 55 2.137 -2.166 -1.046 1.00 0.00 C ATOM 770 CD2 LEU A 55 0.180 -1.927 0.511 1.00 0.00 C ATOM 0 H LEU A 55 1.314 -5.549 0.216 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.214 -4.326 0.319 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.923 -4.330 -1.889 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.413 -3.197 -1.822 1.00 0.00 H new ATOM 0 HG LEU A 55 1.517 -3.575 0.463 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.702 -1.533 -0.361 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.810 -2.883 -1.516 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.673 -1.547 -1.814 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.810 -1.320 1.161 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.351 -1.279 -0.187 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.541 -2.477 1.115 1.00 0.00 H new ATOM 782 N LYS A 56 -0.964 -6.630 -1.944 1.00 0.00 N ATOM 783 CA LYS A 56 -1.730 -7.503 -2.848 1.00 0.00 C ATOM 784 C LYS A 56 -2.989 -8.061 -2.192 1.00 0.00 C ATOM 785 O LYS A 56 -4.076 -7.573 -2.502 1.00 0.00 O ATOM 786 CB LYS A 56 -0.867 -8.633 -3.426 1.00 0.00 C ATOM 787 CG LYS A 56 0.199 -8.060 -4.343 1.00 0.00 C ATOM 788 CD LYS A 56 1.106 -9.163 -4.871 1.00 0.00 C ATOM 789 CE LYS A 56 2.342 -8.527 -5.508 1.00 0.00 C ATOM 790 NZ LYS A 56 3.272 -9.595 -5.906 1.00 0.00 N ATOM 0 H LYS A 56 0.010 -6.907 -1.823 1.00 0.00 H new ATOM 0 HA LYS A 56 -2.049 -6.871 -3.677 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.399 -9.193 -2.617 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.494 -9.334 -3.978 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.273 -7.540 -5.177 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.792 -7.322 -3.802 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.401 -9.829 -4.060 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.574 -9.769 -5.604 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.056 -7.933 -6.376 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.824 -7.850 -4.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 3.831 -9.281 -6.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 3.910 -9.813 -5.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.733 -10.447 -6.161 1.00 0.00 H new ATOM 804 N LYS A 57 -2.780 -8.698 -1.049 1.00 0.00 N ATOM 805 CA LYS A 57 -3.884 -9.272 -0.261 1.00 0.00 C ATOM 806 C LYS A 57 -4.739 -8.201 0.419 1.00 0.00 C ATOM 807 O LYS A 57 -5.960 -8.197 0.250 1.00 0.00 O ATOM 808 CB LYS A 57 -3.325 -10.236 0.773 1.00 0.00 C ATOM 809 CG LYS A 57 -4.468 -11.084 1.322 1.00 0.00 C ATOM 810 CD LYS A 57 -3.886 -11.929 2.452 1.00 0.00 C ATOM 811 CE LYS A 57 -4.872 -12.989 2.932 1.00 0.00 C ATOM 812 NZ LYS A 57 -4.248 -13.658 4.070 1.00 0.00 N ATOM 0 H LYS A 57 -1.857 -8.836 -0.638 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.538 -9.805 -0.951 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.564 -10.874 0.322 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.842 -9.685 1.580 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -5.277 -10.452 1.689 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.888 -11.718 0.542 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.971 -12.412 2.110 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.613 -11.282 3.286 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.819 -12.534 3.222 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -5.092 -13.702 2.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.887 -14.394 4.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.354 -14.095 3.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.058 -12.963 4.820 1.00 0.00 H new ATOM 826 N GLU A 58 -4.082 -7.218 1.045 1.00 0.00 N ATOM 827 CA GLU A 58 -4.771 -6.140 1.791 1.00 0.00 C ATOM 828 C GLU A 58 -5.831 -5.466 0.927 1.00 0.00 C ATOM 829 O GLU A 58 -7.026 -5.678 1.119 1.00 0.00 O ATOM 830 CB GLU A 58 -3.790 -5.066 2.289 1.00 0.00 C ATOM 831 CG GLU A 58 -2.861 -5.512 3.423 1.00 0.00 C ATOM 832 CD GLU A 58 -3.532 -5.526 4.800 1.00 0.00 C ATOM 833 OE1 GLU A 58 -4.221 -6.516 5.091 1.00 0.00 O ATOM 834 OE2 GLU A 58 -3.294 -4.549 5.550 1.00 0.00 O ATOM 0 H GLU A 58 -3.065 -7.140 1.054 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.241 -6.616 2.652 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.180 -4.735 1.449 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.362 -4.202 2.627 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.486 -6.511 3.201 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.998 -4.847 3.456 1.00 0.00 H new ATOM 841 N ILE A 59 -5.380 -4.984 -0.232 1.00 0.00 N ATOM 842 CA ILE A 59 -6.238 -4.164 -1.110 1.00 0.00 C ATOM 843 C ILE A 59 -7.202 -5.001 -1.953 1.00 0.00 C ATOM 844 O ILE A 59 -8.314 -4.561 -2.225 1.00 0.00 O ATOM 845 CB ILE A 59 -5.385 -3.155 -1.893 1.00 0.00 C ATOM 846 CG1 ILE A 59 -4.451 -2.329 -0.981 1.00 0.00 C ATOM 847 CG2 ILE A 59 -6.239 -2.213 -2.753 1.00 0.00 C ATOM 848 CD1 ILE A 59 -5.023 -1.905 0.384 1.00 0.00 C ATOM 0 H ILE A 59 -4.437 -5.141 -0.588 1.00 0.00 H new ATOM 0 HA ILE A 59 -6.911 -3.572 -0.490 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.763 -3.758 -2.555 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.545 -2.909 -0.806 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.155 -1.430 -1.521 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.590 -1.519 -3.287 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.814 -2.797 -3.471 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.920 -1.653 -2.112 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.274 -1.332 0.930 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.910 -1.290 0.232 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.291 -2.792 0.958 1.00 0.00 H new ATOM 860 N LYS A 60 -6.822 -6.255 -2.153 1.00 0.00 N ATOM 861 CA LYS A 60 -7.699 -7.255 -2.752 1.00 0.00 C ATOM 862 C LYS A 60 -9.012 -7.492 -1.975 1.00 0.00 C ATOM 863 O LYS A 60 -10.096 -7.611 -2.560 1.00 0.00 O ATOM 864 CB LYS A 60 -6.895 -8.553 -2.783 1.00 0.00 C ATOM 865 CG LYS A 60 -7.533 -9.674 -3.587 1.00 0.00 C ATOM 866 CD LYS A 60 -6.708 -10.927 -3.296 1.00 0.00 C ATOM 867 CE LYS A 60 -6.970 -11.937 -4.409 1.00 0.00 C ATOM 868 NZ LYS A 60 -5.888 -11.781 -5.391 1.00 0.00 N ATOM 0 H LYS A 60 -5.898 -6.609 -1.905 1.00 0.00 H new ATOM 0 HA LYS A 60 -8.005 -6.904 -3.738 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.908 -8.344 -3.196 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.746 -8.897 -1.760 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.574 -9.817 -3.298 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.527 -9.442 -4.652 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.647 -10.681 -3.247 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.983 -11.347 -2.328 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.988 -12.952 -4.013 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.940 -11.758 -4.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.028 -12.454 -6.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.896 -10.811 -5.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -4.973 -11.968 -4.932 1.00 0.00 H new ATOM 882 N LYS A 61 -8.866 -7.455 -0.663 1.00 0.00 N ATOM 883 CA LYS A 61 -9.958 -7.660 0.313 1.00 0.00 C ATOM 884 C LYS A 61 -10.705 -6.339 0.600 1.00 0.00 C ATOM 885 O LYS A 61 -11.909 -6.302 0.773 1.00 0.00 O ATOM 886 CB LYS A 61 -9.404 -8.151 1.647 1.00 0.00 C ATOM 887 CG LYS A 61 -8.602 -9.429 1.459 1.00 0.00 C ATOM 888 CD LYS A 61 -7.810 -9.708 2.728 1.00 0.00 C ATOM 889 CE LYS A 61 -8.489 -10.795 3.545 1.00 0.00 C ATOM 890 NZ LYS A 61 -7.621 -11.005 4.703 1.00 0.00 N ATOM 0 H LYS A 61 -7.965 -7.278 -0.219 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.634 -8.395 -0.125 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -8.772 -7.381 2.089 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.224 -8.329 2.343 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -9.269 -10.263 1.240 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.928 -9.329 0.609 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.796 -10.016 2.472 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.726 -8.797 3.320 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.489 -10.489 3.853 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.600 -11.711 2.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.772 -11.962 5.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.627 -10.900 4.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.845 -10.303 5.437 1.00 0.00 H new ATOM 904 N LYS A 62 -9.880 -5.309 0.764 1.00 0.00 N ATOM 905 CA LYS A 62 -10.268 -3.951 1.183 1.00 0.00 C ATOM 906 C LYS A 62 -11.022 -3.133 0.122 1.00 0.00 C ATOM 907 O LYS A 62 -11.901 -2.333 0.457 1.00 0.00 O ATOM 908 CB LYS A 62 -8.944 -3.275 1.502 1.00 0.00 C ATOM 909 CG LYS A 62 -9.115 -2.154 2.512 1.00 0.00 C ATOM 910 CD LYS A 62 -7.968 -2.222 3.513 1.00 0.00 C ATOM 911 CE LYS A 62 -8.068 -1.067 4.496 1.00 0.00 C ATOM 912 NZ LYS A 62 -7.018 -1.244 5.490 1.00 0.00 N ATOM 0 H LYS A 62 -8.876 -5.394 0.603 1.00 0.00 H new ATOM 0 HA LYS A 62 -10.969 -4.011 2.016 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -8.243 -4.013 1.893 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -8.509 -2.876 0.586 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.120 -1.188 2.007 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -10.072 -2.250 3.026 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -7.998 -3.171 4.049 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -7.013 -2.182 2.988 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -7.951 -0.114 3.980 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.048 -1.053 4.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -7.441 -1.281 6.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -6.509 -2.131 5.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.353 -0.446 5.438 1.00 0.00 H new ATOM 926 N GLY A 63 -10.560 -3.267 -1.114 1.00 0.00 N ATOM 927 CA GLY A 63 -11.019 -2.445 -2.253 1.00 0.00 C ATOM 928 C GLY A 63 -10.218 -1.133 -2.303 1.00 0.00 C ATOM 929 O GLY A 63 -10.162 -0.368 -1.341 1.00 0.00 O ATOM 0 H GLY A 63 -9.849 -3.953 -1.369 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.892 -2.995 -3.185 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.083 -2.229 -2.153 1.00 0.00 H new ATOM 933 N LYS A 64 -9.716 -0.859 -3.496 1.00 0.00 N ATOM 934 CA LYS A 64 -8.892 0.324 -3.856 1.00 0.00 C ATOM 935 C LYS A 64 -9.320 1.666 -3.250 1.00 0.00 C ATOM 936 O LYS A 64 -8.486 2.438 -2.779 1.00 0.00 O ATOM 937 CB LYS A 64 -8.922 0.554 -5.379 1.00 0.00 C ATOM 938 CG LYS A 64 -8.204 -0.480 -6.236 1.00 0.00 C ATOM 939 CD LYS A 64 -8.992 -1.780 -6.358 1.00 0.00 C ATOM 940 CE LYS A 64 -8.185 -2.808 -7.126 1.00 0.00 C ATOM 941 NZ LYS A 64 -9.002 -4.017 -7.136 1.00 0.00 N ATOM 0 H LYS A 64 -9.870 -1.477 -4.293 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.914 0.062 -3.453 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.964 0.597 -5.697 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.485 1.531 -5.585 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.032 -0.068 -7.230 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.226 -0.690 -5.804 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -9.233 -2.163 -5.366 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -9.938 -1.595 -6.867 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.978 -2.466 -8.140 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.223 -2.989 -6.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.503 -4.769 -7.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -9.178 -4.325 -6.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -9.909 -3.819 -7.605 1.00 0.00 H new ATOM 955 N ARG A 65 -10.619 1.950 -3.289 1.00 0.00 N ATOM 956 CA ARG A 65 -11.168 3.193 -2.734 1.00 0.00 C ATOM 957 C ARG A 65 -10.754 3.407 -1.274 1.00 0.00 C ATOM 958 O ARG A 65 -10.101 4.393 -0.944 1.00 0.00 O ATOM 959 CB ARG A 65 -12.679 3.034 -2.914 1.00 0.00 C ATOM 960 CG ARG A 65 -13.343 4.300 -3.472 1.00 0.00 C ATOM 961 CD ARG A 65 -13.413 5.422 -2.424 1.00 0.00 C ATOM 962 NE ARG A 65 -14.225 4.932 -1.301 1.00 0.00 N ATOM 963 CZ ARG A 65 -13.834 4.736 -0.039 1.00 0.00 C ATOM 964 NH1 ARG A 65 -12.623 5.033 0.403 1.00 0.00 N ATOM 965 NH2 ARG A 65 -14.692 4.202 0.810 1.00 0.00 N ATOM 0 H ARG A 65 -11.319 1.334 -3.702 1.00 0.00 H new ATOM 0 HA ARG A 65 -10.791 4.084 -3.236 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -12.875 2.199 -3.586 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -13.131 2.784 -1.954 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -12.785 4.649 -4.341 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -14.350 4.061 -3.815 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -12.413 5.691 -2.084 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -13.856 6.320 -2.854 1.00 0.00 H new ATOM 0 HE ARG A 65 -15.200 4.717 -1.510 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -11.932 5.434 -0.232 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -12.380 4.861 1.379 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -15.629 3.949 0.497 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -14.418 4.042 1.779 1.00 0.00 H new ATOM 979 N ALA A 66 -10.846 2.314 -0.530 1.00 0.00 N ATOM 980 CA ALA A 66 -10.401 2.232 0.879 1.00 0.00 C ATOM 981 C ALA A 66 -8.889 2.414 1.083 1.00 0.00 C ATOM 982 O ALA A 66 -8.535 3.086 2.041 1.00 0.00 O ATOM 983 CB ALA A 66 -10.881 0.921 1.492 1.00 0.00 C ATOM 0 H ALA A 66 -11.236 1.439 -0.881 1.00 0.00 H new ATOM 0 HA ALA A 66 -10.856 3.078 1.394 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -10.552 0.863 2.530 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -11.969 0.878 1.453 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -10.465 0.084 0.932 1.00 0.00 H new ATOM 989 N VAL A 67 -8.040 2.039 0.116 1.00 0.00 N ATOM 990 CA VAL A 67 -6.581 2.296 0.230 1.00 0.00 C ATOM 991 C VAL A 67 -6.266 3.803 0.240 1.00 0.00 C ATOM 992 O VAL A 67 -5.547 4.291 1.102 1.00 0.00 O ATOM 993 CB VAL A 67 -5.761 1.544 -0.852 1.00 0.00 C ATOM 994 CG1 VAL A 67 -5.606 2.203 -2.214 1.00 0.00 C ATOM 995 CG2 VAL A 67 -4.326 1.393 -0.310 1.00 0.00 C ATOM 0 H VAL A 67 -8.322 1.565 -0.742 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.268 1.893 1.193 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.325 0.627 -1.023 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.010 1.561 -2.863 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.590 2.355 -2.658 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.107 3.165 -2.098 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.714 0.867 -1.043 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.902 2.380 -0.123 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.346 0.825 0.620 1.00 0.00 H new ATOM 1005 N ILE A 68 -6.955 4.508 -0.655 1.00 0.00 N ATOM 1006 CA ILE A 68 -6.896 5.985 -0.792 1.00 0.00 C ATOM 1007 C ILE A 68 -7.243 6.651 0.546 1.00 0.00 C ATOM 1008 O ILE A 68 -6.495 7.508 1.011 1.00 0.00 O ATOM 1009 CB ILE A 68 -7.795 6.415 -1.981 1.00 0.00 C ATOM 1010 CG1 ILE A 68 -7.368 5.774 -3.321 1.00 0.00 C ATOM 1011 CG2 ILE A 68 -7.942 7.938 -2.083 1.00 0.00 C ATOM 1012 CD1 ILE A 68 -5.915 6.005 -3.754 1.00 0.00 C ATOM 0 H ILE A 68 -7.587 4.071 -1.326 1.00 0.00 H new ATOM 0 HA ILE A 68 -5.887 6.324 -1.028 1.00 0.00 H new ATOM 0 HB ILE A 68 -8.788 6.021 -1.763 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -7.538 4.699 -3.256 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -8.023 6.153 -4.105 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -8.580 8.186 -2.931 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -8.390 8.322 -1.167 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.960 8.390 -2.224 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.736 5.507 -4.707 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -5.733 7.074 -3.863 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -5.241 5.598 -3.000 1.00 0.00 H new ATOM 1024 N ALA A 69 -8.264 6.131 1.217 1.00 0.00 N ATOM 1025 CA ALA A 69 -8.663 6.597 2.564 1.00 0.00 C ATOM 1026 C ALA A 69 -7.689 6.171 3.691 1.00 0.00 C ATOM 1027 O ALA A 69 -7.089 7.027 4.337 1.00 0.00 O ATOM 1028 CB ALA A 69 -10.094 6.130 2.869 1.00 0.00 C ATOM 0 H ALA A 69 -8.845 5.375 0.854 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.622 7.686 2.545 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.385 6.474 3.861 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -10.777 6.542 2.127 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -10.136 5.041 2.836 1.00 0.00 H new ATOM 1034 N TRP A 70 -7.387 4.872 3.736 1.00 0.00 N ATOM 1035 CA TRP A 70 -6.517 4.200 4.724 1.00 0.00 C ATOM 1036 C TRP A 70 -5.149 4.898 4.865 1.00 0.00 C ATOM 1037 O TRP A 70 -4.835 5.485 5.900 1.00 0.00 O ATOM 1038 CB TRP A 70 -6.331 2.748 4.267 1.00 0.00 C ATOM 1039 CG TRP A 70 -5.477 1.880 5.185 1.00 0.00 C ATOM 1040 CD1 TRP A 70 -5.543 1.781 6.510 1.00 0.00 C ATOM 1041 CD2 TRP A 70 -4.498 0.980 4.759 1.00 0.00 C ATOM 1042 NE1 TRP A 70 -4.667 0.882 6.955 1.00 0.00 N ATOM 1043 CE2 TRP A 70 -4.016 0.356 5.929 1.00 0.00 C ATOM 1044 CE3 TRP A 70 -3.985 0.638 3.489 1.00 0.00 C ATOM 1045 CZ2 TRP A 70 -3.000 -0.627 5.838 1.00 0.00 C ATOM 1046 CZ3 TRP A 70 -2.961 -0.336 3.415 1.00 0.00 C ATOM 1047 CH2 TRP A 70 -2.480 -0.961 4.584 1.00 0.00 C ATOM 0 H TRP A 70 -7.760 4.217 3.049 1.00 0.00 H new ATOM 0 HA TRP A 70 -6.988 4.244 5.706 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -7.314 2.287 4.169 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -5.880 2.752 3.275 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -6.213 2.350 7.137 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -4.520 0.637 7.934 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -4.365 1.109 2.595 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -2.631 -1.114 6.729 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -2.544 -0.603 2.455 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -1.701 -1.706 4.510 1.00 0.00 H new TER 1058 TRP A 70