USER MOD reduce.3.24.130724 H: found=0, std=0, add=135, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 138 hydrogens (126 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 158 DGN H2 : A 158 DGN N : A 159 LML C :(H bumps) USER MOD NoAdj-H: A 157 DAR H2 : A 157 DAR N : A 158 DGN C :(H bumps) USER MOD NoAdj-H: A 156 DAL H2 : A 156 DAL N : A 157 DAR C :(H bumps) USER MOD NoAdj-H: A 156 DAL H : A 156 DAL N : A 157 DAR C :(H bumps) USER MOD NoAdj-H: A 155 DVA H2 : A 155 DVA N : A 156 DAL C :(H bumps) USER MOD NoAdj-H: A 155 DVA H : A 155 DVA N : A 156 DAL C :(H bumps) USER MOD NoAdj-H: A 154 DAR H2 : A 154 DAR N : A 155 DVA C :(H bumps) USER MOD NoAdj-H: A 154 DAR H : A 154 DAR N : A 155 DVA C :(H bumps) USER MOD NoAdj-H: A 153 DPR H : A 153 DPR N : A 154 DAR C :(H bumps) USER MOD NoAdj-H: A 152 DAL H2 : A 152 DAL N : A 153 DPR C :(H bumps) USER MOD NoAdj-H: A 151 DLE H2 : A 151 DLE N : A 152 DAL C :(H bumps) USER MOD NoAdj-H: A 151 DLE H : A 151 DLE N : A 152 DAL C :(H bumps) USER MOD NoAdj-H: A 150 DSN H2 : A 150 DSN N : A 151 DLE C :(H bumps) USER MOD NoAdj-H: A 148 DPN H2 : A 148 DPN N : A 149 GLY C :(H bumps) USER MOD NoAdj-H: A 147 DAS H2 : A 147 DAS N : A 148 DPN C :(H bumps) USER MOD NoAdj-H: A 145 DAR H2 : A 145 DAR N : A 146 GLY C :(H bumps) USER MOD NoAdj-H: A 145 DAR H : A 145 DAR N : A 146 GLY C :(H bumps) USER MOD NoAdj-H: A 144 DVA H2 : A 144 DVA N : A 145 DAR C :(H bumps) USER MOD NoAdj-H: A 142 DSN H2 : A 142 DSN N : A 143 GLY C :(H bumps) USER MOD Single : A 142 DSN OG : rot 42:sc= 0.197 USER MOD Single : A 147 DAS OD2 : rot 165:sc= 0 USER MOD Single : A 150 DSN OG : rot 44:sc= -0.0993 USER MOD Single : A 159 LML OXT : rot -112:sc= 0.898 USER MOD ----------------------------------------------------------------- HETATM 1 C1 LML A 159 -2.193 3.186 2.562 1.00 0.00 C HETATM 2 O1 LML A 159 -1.740 4.363 2.875 1.00 0.00 O HETATM 3 OXT LML A 159 -2.627 2.388 3.491 1.00 0.00 O HETATM 4 CA LML A 159 -2.215 2.748 1.127 1.00 0.00 C HETATM 5 CB LML A 159 -1.474 3.565 0.067 1.00 0.00 C HETATM 6 CG LML A 159 -1.502 5.084 0.249 1.00 0.00 C HETATM 7 CD1 LML A 159 -0.208 5.583 0.894 1.00 0.00 C HETATM 8 CD2 LML A 159 -1.791 5.791 -1.077 1.00 0.00 C HETATM 9 C LML A 159 -1.721 1.305 1.248 1.00 0.00 C HETATM 10 O LML A 159 -1.036 0.957 2.208 1.00 0.00 O HETATM 0 HD23 LML A 159 -1.014 5.540 -1.800 1.00 0.00 H new HETATM 0 HD22 LML A 159 -2.760 5.467 -1.458 1.00 0.00 H new HETATM 0 HD21 LML A 159 -1.805 6.869 -0.919 1.00 0.00 H new HETATM 0 HD13 LML A 159 -0.085 5.116 1.871 1.00 0.00 H new HETATM 0 HD12 LML A 159 0.639 5.323 0.259 1.00 0.00 H new HETATM 0 HD11 LML A 159 -0.254 6.666 1.012 1.00 0.00 H new HETATM 0 HXT LML A 159 -2.026 1.618 3.568 1.00 0.00 H new HETATM 0 HG LML A 159 -2.317 5.331 0.929 1.00 0.00 H new HETATM 0 HB2 LML A 159 -0.434 3.240 0.049 1.00 0.00 H new HETATM 0 HB1 LML A 159 -1.899 3.328 -0.908 1.00 0.00 H new HETATM 0 HA LML A 159 -3.213 2.890 0.711 1.00 0.00 H new HETATM 21 N DGN A 158 -2.090 0.504 0.259 1.00 0.00 N HETATM 22 CA DGN A 158 -1.693 -0.894 0.241 1.00 0.00 C HETATM 23 C DGN A 158 -2.623 -1.698 -0.670 1.00 0.00 C HETATM 24 O DGN A 158 -3.263 -1.138 -1.559 1.00 0.00 O HETATM 25 CB DGN A 158 -0.234 -1.044 -0.195 1.00 0.00 C HETATM 26 CG DGN A 158 0.172 -2.519 -0.251 1.00 0.00 C HETATM 27 CD DGN A 158 0.028 -3.180 1.122 1.00 0.00 C HETATM 28 OE1 DGN A 158 0.161 -2.551 2.159 1.00 0.00 O HETATM 29 NE2 DGN A 158 -0.249 -4.479 1.070 1.00 0.00 N HETATM 0 HE22 DGN A 158 -0.364 -5.011 1.933 1.00 0.00 H new HETATM 0 HE21 DGN A 158 -0.346 -4.944 0.167 1.00 0.00 H new HETATM 0 HG3 DGN A 158 -0.448 -3.043 -0.978 1.00 0.00 H new HETATM 0 HG2 DGN A 158 1.204 -2.603 -0.593 1.00 0.00 H new HETATM 0 HB3 DGN A 158 -0.095 -0.587 -1.175 1.00 0.00 H new HETATM 0 HB2 DGN A 158 0.414 -0.511 0.501 1.00 0.00 H new HETATM 0 HA DGN A 158 -1.778 -1.289 1.253 1.00 0.00 H new HETATM 0 H DGN A 158 -2.891 0.814 -0.291 1.00 0.00 H new HETATM 38 N DAR A 157 -2.668 -2.998 -0.418 1.00 0.00 N HETATM 39 CA DAR A 157 -3.508 -3.884 -1.204 1.00 0.00 C HETATM 40 CB DAR A 157 -3.018 -5.331 -1.116 1.00 0.00 C HETATM 41 CG DAR A 157 -3.844 -6.246 -2.021 1.00 0.00 C HETATM 42 CD DAR A 157 -4.922 -6.981 -1.221 1.00 0.00 C HETATM 43 NE DAR A 157 -6.265 -6.541 -1.660 1.00 0.00 N HETATM 44 CZ DAR A 157 -6.951 -5.525 -1.095 1.00 0.00 C HETATM 45 NH1 DAR A 157 -8.145 -5.218 -1.567 1.00 0.00 N HETATM 46 NH2 DAR A 157 -6.424 -4.833 -0.062 1.00 0.00 N HETATM 47 C DAR A 157 -3.519 -3.445 -2.670 1.00 0.00 C HETATM 48 O DAR A 157 -4.567 -3.444 -3.314 1.00 0.00 O HETATM 0 HH22 DAR A 157 -6.949 -4.067 0.359 1.00 0.00 H new HETATM 0 HH21 DAR A 157 -5.501 -5.077 0.297 1.00 0.00 H new HETATM 0 HH12 DAR A 157 -8.676 -4.453 -1.151 1.00 0.00 H new HETATM 0 HH11 DAR A 157 -8.536 -5.746 -2.347 1.00 0.00 H new HETATM 0 HG3 DAR A 157 -4.310 -5.657 -2.811 1.00 0.00 H new HETATM 0 HG2 DAR A 157 -3.190 -6.970 -2.507 1.00 0.00 H new HETATM 0 HE DAR A 157 -6.700 -7.037 -2.438 1.00 0.00 H new HETATM 0 HD3 DAR A 157 -4.819 -8.057 -1.360 1.00 0.00 H new HETATM 0 HD2 DAR A 157 -4.795 -6.783 -0.157 1.00 0.00 H new HETATM 0 HB3 DAR A 157 -1.968 -5.381 -1.404 1.00 0.00 H new HETATM 0 HB2 DAR A 157 -3.083 -5.679 -0.085 1.00 0.00 H new HETATM 0 HA DAR A 157 -4.518 -3.829 -0.797 1.00 0.00 H new HETATM 0 H DAR A 157 -1.872 -3.374 0.097 1.00 0.00 H new HETATM 61 N DAL A 156 -2.340 -3.082 -3.154 1.00 0.00 N HETATM 62 CA DAL A 156 -2.200 -2.642 -4.531 1.00 0.00 C HETATM 63 CB DAL A 156 -2.491 -3.812 -5.473 1.00 0.00 C HETATM 64 C DAL A 156 -0.799 -2.063 -4.737 1.00 0.00 C HETATM 65 O DAL A 156 0.006 -2.624 -5.479 1.00 0.00 O HETATM 0 HB3 DAL A 156 -1.787 -4.621 -5.277 1.00 0.00 H new HETATM 0 HB2 DAL A 156 -3.508 -4.168 -5.307 1.00 0.00 H new HETATM 0 HB1 DAL A 156 -2.386 -3.482 -6.506 1.00 0.00 H new HETATM 0 HA DAL A 156 -2.919 -1.854 -4.757 1.00 0.00 H new HETATM 71 N DVA A 155 -0.550 -0.947 -4.067 1.00 0.00 N HETATM 72 CA DVA A 155 0.740 -0.285 -4.167 1.00 0.00 C HETATM 73 CB DVA A 155 1.737 -0.936 -3.206 1.00 0.00 C HETATM 74 CG1 DVA A 155 3.177 -0.673 -3.651 1.00 0.00 C HETATM 75 CG2 DVA A 155 1.470 -2.436 -3.071 1.00 0.00 C HETATM 76 C DVA A 155 0.560 1.213 -3.918 1.00 0.00 C HETATM 77 O DVA A 155 -0.415 1.630 -3.294 1.00 0.00 O HETATM 0 HG23 DVA A 155 0.462 -2.593 -2.687 1.00 0.00 H new HETATM 0 HG22 DVA A 155 1.565 -2.912 -4.047 1.00 0.00 H new HETATM 0 HG21 DVA A 155 2.193 -2.874 -2.382 1.00 0.00 H new HETATM 0 HG13 DVA A 155 3.331 -1.086 -4.648 1.00 0.00 H new HETATM 0 HG12 DVA A 155 3.361 0.401 -3.671 1.00 0.00 H new HETATM 0 HG11 DVA A 155 3.866 -1.146 -2.951 1.00 0.00 H new HETATM 0 HB DVA A 155 1.601 -0.483 -2.224 1.00 0.00 H new HETATM 0 HA DVA A 155 1.152 -0.400 -5.169 1.00 0.00 H new HETATM 87 N DAR A 154 1.516 1.983 -4.419 1.00 0.00 N HETATM 88 CA DAR A 154 1.475 3.426 -4.258 1.00 0.00 C HETATM 89 CB DAR A 154 0.333 4.039 -5.072 1.00 0.00 C HETATM 90 CG DAR A 154 0.363 3.543 -6.519 1.00 0.00 C HETATM 91 CD DAR A 154 -0.309 2.174 -6.643 1.00 0.00 C HETATM 92 NE DAR A 154 0.708 1.134 -6.917 1.00 0.00 N HETATM 93 CZ DAR A 154 0.432 -0.070 -7.460 1.00 0.00 C HETATM 94 NH1 DAR A 154 1.419 -0.923 -7.662 1.00 0.00 N HETATM 95 NH2 DAR A 154 -0.835 -0.398 -7.792 1.00 0.00 N HETATM 96 C DAR A 154 2.800 4.047 -4.705 1.00 0.00 C HETATM 97 O DAR A 154 2.835 4.828 -5.655 1.00 0.00 O HETATM 0 HH22 DAR A 154 -1.035 -1.310 -8.202 1.00 0.00 H new HETATM 0 HH21 DAR A 154 -1.592 0.267 -7.633 1.00 0.00 H new HETATM 0 HH12 DAR A 154 1.227 -1.837 -8.072 1.00 0.00 H new HETATM 0 HH11 DAR A 154 2.373 -0.668 -7.408 1.00 0.00 H new HETATM 0 HG3 DAR A 154 -0.144 4.261 -7.164 1.00 0.00 H new HETATM 0 HG2 DAR A 154 1.395 3.478 -6.864 1.00 0.00 H new HETATM 0 HE DAR A 154 1.678 1.340 -6.680 1.00 0.00 H new HETATM 0 HD3 DAR A 154 -0.844 1.938 -5.723 1.00 0.00 H new HETATM 0 HD2 DAR A 154 -1.047 2.193 -7.445 1.00 0.00 H new HETATM 0 HB3 DAR A 154 -0.623 3.782 -4.615 1.00 0.00 H new HETATM 0 HB2 DAR A 154 0.412 5.126 -5.055 1.00 0.00 H new HETATM 0 HA DAR A 154 1.308 3.637 -3.202 1.00 0.00 H new HETATM 110 N DPR A 153 3.886 3.667 -3.980 1.00 0.00 N HETATM 111 CA DPR A 153 5.210 4.178 -4.292 1.00 0.00 C HETATM 112 CB DPR A 153 6.172 3.227 -3.599 1.00 0.00 C HETATM 113 CG DPR A 153 5.352 2.497 -2.548 1.00 0.00 C HETATM 114 CD DPR A 153 3.883 2.745 -2.848 1.00 0.00 C HETATM 115 C DPR A 153 5.362 5.628 -3.825 1.00 0.00 C HETATM 116 O DPR A 153 4.476 6.167 -3.165 1.00 0.00 O HETATM 0 HG3 DPR A 153 5.571 1.429 -2.567 1.00 0.00 H new HETATM 0 HG2 DPR A 153 5.604 2.856 -1.550 1.00 0.00 H new HETATM 0 HD3 DPR A 153 3.371 3.176 -1.988 1.00 0.00 H new HETATM 0 HD2 DPR A 153 3.367 1.817 -3.095 1.00 0.00 H new HETATM 0 HB3 DPR A 153 6.608 2.526 -4.310 1.00 0.00 H new HETATM 0 HB2 DPR A 153 6.998 3.772 -3.141 1.00 0.00 H new HETATM 0 HA DPR A 153 5.407 4.211 -5.364 1.00 0.00 H new HETATM 124 N DAL A 152 6.493 6.216 -4.187 1.00 0.00 N HETATM 125 CA DAL A 152 6.773 7.592 -3.813 1.00 0.00 C HETATM 126 CB DAL A 152 8.183 7.969 -4.271 1.00 0.00 C HETATM 127 C DAL A 152 6.587 7.755 -2.303 1.00 0.00 C HETATM 128 O DAL A 152 7.501 7.476 -1.528 1.00 0.00 O HETATM 0 HB3 DAL A 152 8.909 7.309 -3.796 1.00 0.00 H new HETATM 0 HB2 DAL A 152 8.254 7.866 -5.354 1.00 0.00 H new HETATM 0 HB1 DAL A 152 8.393 9.001 -3.990 1.00 0.00 H new HETATM 0 HA DAL A 152 6.078 8.272 -4.305 1.00 0.00 H new HETATM 0 H DAL A 152 7.198 5.668 -4.679 1.00 0.00 H new HETATM 134 N DLE A 151 5.398 8.204 -1.931 1.00 0.00 N HETATM 135 CA DLE A 151 5.080 8.407 -0.527 1.00 0.00 C HETATM 136 CB DLE A 151 4.367 7.179 0.043 1.00 0.00 C HETATM 137 CG DLE A 151 5.197 5.896 0.119 1.00 0.00 C HETATM 138 CD1 DLE A 151 4.436 4.714 -0.484 1.00 0.00 C HETATM 139 CD2 DLE A 151 5.645 5.616 1.555 1.00 0.00 C HETATM 140 C DLE A 151 4.288 9.706 -0.370 1.00 0.00 C HETATM 141 O DLE A 151 4.798 10.686 0.171 1.00 0.00 O HETATM 0 HD23 DLE A 151 6.252 6.446 1.915 1.00 0.00 H new HETATM 0 HD22 DLE A 151 4.769 5.503 2.194 1.00 0.00 H new HETATM 0 HD21 DLE A 151 6.233 4.699 1.580 1.00 0.00 H new HETATM 0 HD13 DLE A 151 3.507 4.562 0.065 1.00 0.00 H new HETATM 0 HD12 DLE A 151 4.210 4.922 -1.530 1.00 0.00 H new HETATM 0 HD11 DLE A 151 5.048 3.815 -0.417 1.00 0.00 H new HETATM 0 HG DLE A 151 6.098 6.037 -0.478 1.00 0.00 H new HETATM 0 HB3 DLE A 151 4.016 7.421 1.046 1.00 0.00 H new HETATM 0 HB2 DLE A 151 3.484 6.981 -0.565 1.00 0.00 H new HETATM 0 HA DLE A 151 5.993 8.518 0.058 1.00 0.00 H new HETATM 153 N DSN A 150 3.055 9.672 -0.853 1.00 0.00 N HETATM 154 CA DSN A 150 2.188 10.835 -0.773 1.00 0.00 C HETATM 155 C DSN A 150 1.041 10.703 -1.777 1.00 0.00 C HETATM 156 O DSN A 150 0.277 9.740 -1.729 1.00 0.00 O HETATM 157 CB DSN A 150 1.636 11.015 0.642 1.00 0.00 C HETATM 158 OG DSN A 150 2.574 10.612 1.636 1.00 0.00 O HETATM 0 HG DSN A 150 3.463 10.953 1.404 1.00 0.00 H new HETATM 0 HB3 DSN A 150 1.370 12.061 0.797 1.00 0.00 H new HETATM 0 HB2 DSN A 150 0.720 10.434 0.751 1.00 0.00 H new HETATM 0 HA DSN A 150 2.778 11.718 -1.019 1.00 0.00 H new HETATM 0 H DSN A 150 2.847 8.925 -1.516 1.00 0.00 H new ATOM 164 N GLY A 149 0.957 11.684 -2.664 1.00 0.00 N ATOM 165 CA GLY A 149 -0.084 11.689 -3.678 1.00 0.00 C ATOM 166 C GLY A 149 0.174 12.775 -4.724 1.00 0.00 C ATOM 167 O GLY A 149 0.421 12.473 -5.890 1.00 0.00 O ATOM 0 H GLY A 149 1.593 12.481 -2.701 1.00 0.00 H new ATOM 0 HA2 GLY A 149 -0.128 10.714 -4.164 1.00 0.00 H new ATOM 0 HA3 GLY A 149 -1.053 11.855 -3.208 1.00 0.00 H new HETATM 171 N DPN A 148 0.108 14.018 -4.268 1.00 0.00 N HETATM 172 CA DPN A 148 0.332 15.151 -5.149 1.00 0.00 C HETATM 173 C DPN A 148 -0.238 16.436 -4.545 1.00 0.00 C HETATM 174 O DPN A 148 -0.417 16.530 -3.332 1.00 0.00 O HETATM 175 CB DPN A 148 1.846 15.303 -5.307 1.00 0.00 C HETATM 176 CG DPN A 148 2.610 13.978 -5.285 1.00 0.00 C HETATM 177 CD1 DPN A 148 3.096 13.492 -4.112 1.00 0.00 C HETATM 178 CD2 DPN A 148 2.803 13.285 -6.440 1.00 0.00 C HETATM 179 CE1 DPN A 148 3.805 12.262 -4.092 1.00 0.00 C HETATM 180 CE2 DPN A 148 3.512 12.055 -6.420 1.00 0.00 C HETATM 181 CZ DPN A 148 3.998 11.569 -5.246 1.00 0.00 C HETATM 0 HZ DPN A 148 4.542 10.625 -5.230 1.00 0.00 H new HETATM 0 HE2 DPN A 148 3.667 11.500 -7.345 1.00 0.00 H new HETATM 0 HE1 DPN A 148 4.195 11.873 -3.151 1.00 0.00 H new HETATM 0 HD2 DPN A 148 2.413 13.674 -7.381 1.00 0.00 H new HETATM 0 HD1 DPN A 148 2.941 14.047 -3.187 1.00 0.00 H new HETATM 0 HB3 DPN A 148 2.053 15.815 -6.247 1.00 0.00 H new HETATM 0 HB2 DPN A 148 2.222 15.941 -4.507 1.00 0.00 H new HETATM 0 HA DPN A 148 -0.161 14.981 -6.106 1.00 0.00 H new HETATM 0 H DPN A 148 -0.375 14.150 -3.380 1.00 0.00 H new HETATM 191 N DAS A 147 -0.506 17.395 -5.420 1.00 0.00 N HETATM 192 CA DAS A 147 -1.052 18.670 -4.988 1.00 0.00 C HETATM 193 C DAS A 147 -0.938 19.682 -6.130 1.00 0.00 C HETATM 194 O DAS A 147 -1.949 20.150 -6.652 1.00 0.00 O HETATM 195 CB DAS A 147 -2.530 18.540 -4.617 1.00 0.00 C HETATM 196 CG DAS A 147 -2.902 17.247 -3.887 1.00 0.00 C HETATM 197 OD1 DAS A 147 -2.820 17.164 -2.653 1.00 0.00 O HETATM 198 OD2 DAS A 147 -3.297 16.285 -4.651 1.00 0.00 O HETATM 0 HD2 DAS A 147 -3.284 15.443 -4.150 1.00 0.00 H new HETATM 0 HB3 DAS A 147 -2.807 19.387 -3.989 1.00 0.00 H new HETATM 0 HB2 DAS A 147 -3.125 18.610 -5.527 1.00 0.00 H new HETATM 0 HA DAS A 147 -0.489 18.999 -4.114 1.00 0.00 H new HETATM 0 H DAS A 147 -0.128 17.295 -6.362 1.00 0.00 H new ATOM 204 N GLY A 146 0.301 19.989 -6.485 1.00 0.00 N ATOM 205 CA GLY A 146 0.560 20.936 -7.556 1.00 0.00 C ATOM 206 C GLY A 146 2.062 21.087 -7.803 1.00 0.00 C ATOM 207 O GLY A 146 2.602 20.501 -8.740 1.00 0.00 O ATOM 0 H GLY A 146 1.137 19.598 -6.050 1.00 0.00 H new ATOM 0 HA2 GLY A 146 0.070 20.600 -8.470 1.00 0.00 H new ATOM 0 HA3 GLY A 146 0.131 21.905 -7.301 1.00 0.00 H new HETATM 211 N DAR A 145 2.694 21.876 -6.947 1.00 0.00 N HETATM 212 CA DAR A 145 4.123 22.112 -7.061 1.00 0.00 C HETATM 213 CB DAR A 145 4.917 20.842 -6.746 1.00 0.00 C HETATM 214 CG DAR A 145 6.413 21.144 -6.639 1.00 0.00 C HETATM 215 CD DAR A 145 7.059 21.216 -8.025 1.00 0.00 C HETATM 216 NE DAR A 145 7.440 22.612 -8.333 1.00 0.00 N HETATM 217 CZ DAR A 145 7.549 23.108 -9.584 1.00 0.00 C HETATM 218 NH1 DAR A 145 7.897 24.372 -9.744 1.00 0.00 N HETATM 219 NH2 DAR A 145 7.305 22.324 -10.656 1.00 0.00 N HETATM 220 C DAR A 145 4.555 23.225 -6.105 1.00 0.00 C HETATM 221 O DAR A 145 4.569 23.035 -4.890 1.00 0.00 O HETATM 0 HH22 DAR A 145 7.390 22.707 -11.598 1.00 0.00 H new HETATM 0 HH21 DAR A 145 7.036 21.349 -10.524 1.00 0.00 H new HETATM 0 HH12 DAR A 145 7.984 24.762 -10.682 1.00 0.00 H new HETATM 0 HH11 DAR A 145 8.079 24.958 -8.929 1.00 0.00 H new HETATM 0 HG3 DAR A 145 6.560 22.089 -6.116 1.00 0.00 H new HETATM 0 HG2 DAR A 145 6.902 20.371 -6.046 1.00 0.00 H new HETATM 0 HE DAR A 145 7.632 23.239 -7.552 1.00 0.00 H new HETATM 0 HD3 DAR A 145 7.939 20.574 -8.059 1.00 0.00 H new HETATM 0 HD2 DAR A 145 6.365 20.845 -8.779 1.00 0.00 H new HETATM 0 HB3 DAR A 145 4.562 20.409 -5.811 1.00 0.00 H new HETATM 0 HB2 DAR A 145 4.747 20.100 -7.526 1.00 0.00 H new HETATM 0 HA DAR A 145 4.329 22.411 -8.089 1.00 0.00 H new HETATM 234 N DVA A 144 4.897 24.364 -6.690 1.00 0.00 N HETATM 235 CA DVA A 144 5.329 25.508 -5.906 1.00 0.00 C HETATM 236 CB DVA A 144 5.667 26.679 -6.831 1.00 0.00 C HETATM 237 CG1 DVA A 144 4.395 27.318 -7.393 1.00 0.00 C HETATM 238 CG2 DVA A 144 6.603 26.236 -7.957 1.00 0.00 C HETATM 239 C DVA A 144 6.500 25.096 -5.011 1.00 0.00 C HETATM 240 O DVA A 144 7.656 25.171 -5.423 1.00 0.00 O HETATM 0 HG23 DVA A 144 7.529 25.850 -7.530 1.00 0.00 H new HETATM 0 HG22 DVA A 144 6.121 25.455 -8.545 1.00 0.00 H new HETATM 0 HG21 DVA A 144 6.827 27.087 -8.600 1.00 0.00 H new HETATM 0 HG13 DVA A 144 3.835 26.575 -7.960 1.00 0.00 H new HETATM 0 HG12 DVA A 144 3.780 27.687 -6.572 1.00 0.00 H new HETATM 0 HG11 DVA A 144 4.663 28.148 -8.047 1.00 0.00 H new HETATM 0 HB DVA A 144 6.188 27.433 -6.241 1.00 0.00 H new HETATM 0 HA DVA A 144 4.525 25.848 -5.253 1.00 0.00 H new HETATM 0 H DVA A 144 4.857 24.429 -7.707 1.00 0.00 H new ATOM 250 N GLY A 143 6.159 24.669 -3.804 1.00 0.00 N ATOM 251 CA GLY A 143 7.168 24.245 -2.848 1.00 0.00 C ATOM 252 C GLY A 143 7.020 24.998 -1.525 1.00 0.00 C ATOM 253 O GLY A 143 6.376 24.511 -0.597 1.00 0.00 O ATOM 0 H GLY A 143 5.199 24.608 -3.466 1.00 0.00 H new ATOM 0 HA2 GLY A 143 7.080 23.173 -2.672 1.00 0.00 H new ATOM 0 HA3 GLY A 143 8.162 24.420 -3.261 1.00 0.00 H new HETATM 257 N DSN A 142 7.627 26.175 -1.480 1.00 0.00 N HETATM 258 CA DSN A 142 7.572 27.001 -0.285 1.00 0.00 C HETATM 259 C DSN A 142 8.586 28.141 -0.390 1.00 0.00 C HETATM 260 O DSN A 142 9.072 28.447 -1.478 1.00 0.00 O HETATM 261 CB DSN A 142 6.164 27.560 -0.068 1.00 0.00 C HETATM 262 OG DSN A 142 5.159 26.573 -0.280 1.00 0.00 O HETATM 0 HG DSN A 142 5.445 25.725 0.119 1.00 0.00 H new HETATM 0 HB3 DSN A 142 6.081 27.950 0.947 1.00 0.00 H new HETATM 0 HB2 DSN A 142 5.998 28.398 -0.746 1.00 0.00 H new HETATM 0 HA DSN A 142 7.823 26.379 0.574 1.00 0.00 H new HETATM 0 H DSN A 142 8.282 26.403 -2.228 1.00 0.00 H new ATOM 268 N GLY A 141 8.876 28.740 0.756 1.00 0.00 N ATOM 269 CA GLY A 141 9.824 29.840 0.807 1.00 0.00 C ATOM 270 C GLY A 141 10.172 30.197 2.254 1.00 0.00 C ATOM 271 O GLY A 141 11.315 30.035 2.679 1.00 0.00 O ATOM 0 H GLY A 141 8.471 28.484 1.656 1.00 0.00 H new ATOM 0 HA2 GLY A 141 10.731 29.568 0.267 1.00 0.00 H new ATOM 0 HA3 GLY A 141 9.403 30.711 0.305 1.00 0.00 H new HETATM 275 N NH2 A 140 9.166 30.676 2.970 1.00 0.00 N TER 278 NH2 A 140