USER MOD reduce.3.24.130724 H: found=0, std=0, add=133, 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 157 DAR H : 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 144 DVA H : 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 31:sc= 0.456 USER MOD Single : A 147 DAS OD2 : rot -89:sc= 0.851 USER MOD Single : A 150 DSN OG : rot 180:sc= 0 USER MOD Single : A 159 LML OXT : rot -48:sc= 1.33 USER MOD ----------------------------------------------------------------- HETATM 1 C1 LML A 159 -1.051 1.766 -0.591 1.00 0.00 C HETATM 2 O1 LML A 159 0.238 1.884 -0.482 1.00 0.00 O HETATM 3 OXT LML A 159 -1.565 1.181 -1.633 1.00 0.00 O HETATM 4 CA LML A 159 -1.948 2.305 0.484 1.00 0.00 C HETATM 5 CB LML A 159 -3.319 2.877 0.120 1.00 0.00 C HETATM 6 CG LML A 159 -3.386 4.394 -0.063 1.00 0.00 C HETATM 7 CD1 LML A 159 -2.074 4.937 -0.633 1.00 0.00 C HETATM 8 CD2 LML A 159 -4.591 4.791 -0.919 1.00 0.00 C HETATM 9 C LML A 159 -2.014 1.114 1.443 1.00 0.00 C HETATM 10 O LML A 159 -1.738 1.255 2.633 1.00 0.00 O HETATM 0 HD23 LML A 159 -4.510 4.324 -1.901 1.00 0.00 H new HETATM 0 HD22 LML A 159 -5.508 4.457 -0.433 1.00 0.00 H new HETATM 0 HD21 LML A 159 -4.615 5.875 -1.033 1.00 0.00 H new HETATM 0 HD13 LML A 159 -1.257 4.704 0.049 1.00 0.00 H new HETATM 0 HD12 LML A 159 -1.880 4.477 -1.602 1.00 0.00 H new HETATM 0 HD11 LML A 159 -2.149 6.018 -0.753 1.00 0.00 H new HETATM 0 HXT LML A 159 -1.158 1.545 -2.447 1.00 0.00 H new HETATM 0 HG LML A 159 -3.524 4.850 0.918 1.00 0.00 H new HETATM 0 HB2 LML A 159 -3.654 2.405 -0.803 1.00 0.00 H new HETATM 0 HB1 LML A 159 -4.027 2.593 0.898 1.00 0.00 H new HETATM 0 HA LML A 159 -1.534 3.231 0.882 1.00 0.00 H new HETATM 21 N DGN A 158 -2.380 -0.032 0.888 1.00 0.00 N HETATM 22 CA DGN A 158 -2.486 -1.246 1.678 1.00 0.00 C HETATM 23 C DGN A 158 -3.156 -2.354 0.862 1.00 0.00 C HETATM 24 O DGN A 158 -3.978 -3.105 1.385 1.00 0.00 O HETATM 25 CB DGN A 158 -1.113 -1.692 2.185 1.00 0.00 C HETATM 26 CG DGN A 158 -1.162 -3.130 2.707 1.00 0.00 C HETATM 27 CD DGN A 158 -2.266 -3.296 3.753 1.00 0.00 C HETATM 28 OE1 DGN A 158 -2.723 -2.347 4.367 1.00 0.00 O HETATM 29 NE2 DGN A 158 -2.667 -4.553 3.920 1.00 0.00 N HETATM 0 HE22 DGN A 158 -3.400 -4.769 4.596 1.00 0.00 H new HETATM 0 HE21 DGN A 158 -2.242 -5.301 3.372 1.00 0.00 H new HETATM 0 HG3 DGN A 158 -1.336 -3.816 1.878 1.00 0.00 H new HETATM 0 HG2 DGN A 158 -0.199 -3.395 3.144 1.00 0.00 H new HETATM 0 HB3 DGN A 158 -0.382 -1.618 1.379 1.00 0.00 H new HETATM 0 HB2 DGN A 158 -0.780 -1.024 2.979 1.00 0.00 H new HETATM 0 HA DGN A 158 -3.108 -1.036 2.548 1.00 0.00 H new HETATM 0 H DGN A 158 -2.731 -0.014 -0.069 1.00 0.00 H new HETATM 38 N DAR A 157 -2.779 -2.420 -0.406 1.00 0.00 N HETATM 39 CA DAR A 157 -3.333 -3.424 -1.300 1.00 0.00 C HETATM 40 CB DAR A 157 -2.498 -4.705 -1.274 1.00 0.00 C HETATM 41 CG DAR A 157 -2.960 -5.682 -2.357 1.00 0.00 C HETATM 42 CD DAR A 157 -4.347 -6.242 -2.035 1.00 0.00 C HETATM 43 NE DAR A 157 -5.301 -5.878 -3.107 1.00 0.00 N HETATM 44 CZ DAR A 157 -6.643 -5.884 -2.960 1.00 0.00 C HETATM 45 NH1 DAR A 157 -7.400 -5.540 -3.985 1.00 0.00 N HETATM 46 NH2 DAR A 157 -7.201 -6.236 -1.782 1.00 0.00 N HETATM 47 C DAR A 157 -3.388 -2.887 -2.732 1.00 0.00 C HETATM 48 O DAR A 157 -4.425 -2.394 -3.174 1.00 0.00 O HETATM 0 HH22 DAR A 157 -8.216 -6.238 -1.679 1.00 0.00 H new HETATM 0 HH21 DAR A 157 -6.608 -6.500 -0.995 1.00 0.00 H new HETATM 0 HH12 DAR A 157 -8.416 -5.539 -3.891 1.00 0.00 H new HETATM 0 HH11 DAR A 157 -6.969 -5.275 -4.871 1.00 0.00 H new HETATM 0 HG3 DAR A 157 -2.983 -5.176 -3.322 1.00 0.00 H new HETATM 0 HG2 DAR A 157 -2.245 -6.500 -2.443 1.00 0.00 H new HETATM 0 HE DAR A 157 -4.921 -5.606 -4.013 1.00 0.00 H new HETATM 0 HD3 DAR A 157 -4.296 -7.326 -1.935 1.00 0.00 H new HETATM 0 HD2 DAR A 157 -4.694 -5.849 -1.079 1.00 0.00 H new HETATM 0 HB3 DAR A 157 -1.446 -4.461 -1.424 1.00 0.00 H new HETATM 0 HB2 DAR A 157 -2.579 -5.177 -0.295 1.00 0.00 H new HETATM 0 HA DAR A 157 -4.341 -3.655 -0.956 1.00 0.00 H new HETATM 61 N DAL A 156 -2.260 -3.001 -3.416 1.00 0.00 N HETATM 62 CA DAL A 156 -2.167 -2.534 -4.789 1.00 0.00 C HETATM 63 CB DAL A 156 -2.524 -3.676 -5.743 1.00 0.00 C HETATM 64 C DAL A 156 -0.762 -1.982 -5.041 1.00 0.00 C HETATM 65 O DAL A 156 0.013 -2.566 -5.796 1.00 0.00 O HETATM 0 HB3 DAL A 156 -1.831 -4.504 -5.594 1.00 0.00 H new HETATM 0 HB2 DAL A 156 -3.541 -4.013 -5.543 1.00 0.00 H new HETATM 0 HB1 DAL A 156 -2.454 -3.325 -6.773 1.00 0.00 H new HETATM 0 HA DAL A 156 -2.876 -1.726 -4.968 1.00 0.00 H new HETATM 71 N DVA A 155 -0.477 -0.861 -4.393 1.00 0.00 N HETATM 72 CA DVA A 155 0.821 -0.224 -4.538 1.00 0.00 C HETATM 73 CB DVA A 155 1.816 -0.832 -3.548 1.00 0.00 C HETATM 74 CG1 DVA A 155 3.236 -0.817 -4.119 1.00 0.00 C HETATM 75 CG2 DVA A 155 1.399 -2.251 -3.154 1.00 0.00 C HETATM 76 C DVA A 155 0.662 1.289 -4.372 1.00 0.00 C HETATM 77 O DVA A 155 -0.384 1.762 -3.931 1.00 0.00 O HETATM 0 HG23 DVA A 155 0.414 -2.225 -2.688 1.00 0.00 H new HETATM 0 HG22 DVA A 155 1.363 -2.880 -4.044 1.00 0.00 H new HETATM 0 HG21 DVA A 155 2.123 -2.661 -2.450 1.00 0.00 H new HETATM 0 HG13 DVA A 155 3.263 -1.396 -5.042 1.00 0.00 H new HETATM 0 HG12 DVA A 155 3.534 0.211 -4.327 1.00 0.00 H new HETATM 0 HG11 DVA A 155 3.924 -1.255 -3.395 1.00 0.00 H new HETATM 0 HB DVA A 155 1.810 -0.218 -2.647 1.00 0.00 H new HETATM 0 HA DVA A 155 1.225 -0.402 -5.535 1.00 0.00 H new HETATM 87 N DAR A 154 1.716 2.006 -4.733 1.00 0.00 N HETATM 88 CA DAR A 154 1.707 3.455 -4.630 1.00 0.00 C HETATM 89 CB DAR A 154 0.713 4.071 -5.617 1.00 0.00 C HETATM 90 CG DAR A 154 0.649 5.591 -5.454 1.00 0.00 C HETATM 91 CD DAR A 154 -0.346 5.984 -4.360 1.00 0.00 C HETATM 92 NE DAR A 154 -1.732 5.806 -4.850 1.00 0.00 N HETATM 93 CZ DAR A 154 -2.797 6.478 -4.365 1.00 0.00 C HETATM 94 NH1 DAR A 154 -3.991 6.241 -4.877 1.00 0.00 N HETATM 95 NH2 DAR A 154 -2.645 7.380 -3.372 1.00 0.00 N HETATM 96 C DAR A 154 3.103 4.016 -4.906 1.00 0.00 C HETATM 97 O DAR A 154 3.304 4.740 -5.879 1.00 0.00 O HETATM 0 HH22 DAR A 154 -3.456 7.883 -3.012 1.00 0.00 H new HETATM 0 HH21 DAR A 154 -1.719 7.558 -2.982 1.00 0.00 H new HETATM 0 HH12 DAR A 154 -4.806 6.740 -4.522 1.00 0.00 H new HETATM 0 HH11 DAR A 154 -4.098 5.559 -5.628 1.00 0.00 H new HETATM 0 HG3 DAR A 154 1.638 5.976 -5.206 1.00 0.00 H new HETATM 0 HG2 DAR A 154 0.356 6.050 -6.399 1.00 0.00 H new HETATM 0 HE DAR A 154 -1.892 5.134 -5.600 1.00 0.00 H new HETATM 0 HD3 DAR A 154 -0.184 5.373 -3.472 1.00 0.00 H new HETATM 0 HD2 DAR A 154 -0.186 7.021 -4.066 1.00 0.00 H new HETATM 0 HB3 DAR A 154 1.007 3.823 -6.637 1.00 0.00 H new HETATM 0 HB2 DAR A 154 -0.276 3.643 -5.457 1.00 0.00 H new HETATM 0 HA DAR A 154 1.402 3.713 -3.616 1.00 0.00 H new HETATM 110 N DPR A 153 4.057 3.651 -4.007 1.00 0.00 N HETATM 111 CA DPR A 153 5.429 4.109 -4.144 1.00 0.00 C HETATM 112 CB DPR A 153 6.246 3.175 -3.266 1.00 0.00 C HETATM 113 CG DPR A 153 5.255 2.527 -2.313 1.00 0.00 C HETATM 114 CD DPR A 153 3.855 2.795 -2.842 1.00 0.00 C HETATM 115 C DPR A 153 5.559 5.579 -3.737 1.00 0.00 C HETATM 116 O DPR A 153 4.603 6.178 -3.248 1.00 0.00 O HETATM 0 HG3 DPR A 153 5.438 1.455 -2.243 1.00 0.00 H new HETATM 0 HG2 DPR A 153 5.368 2.936 -1.309 1.00 0.00 H new HETATM 0 HD3 DPR A 153 3.236 3.287 -2.092 1.00 0.00 H new HETATM 0 HD2 DPR A 153 3.350 1.868 -3.114 1.00 0.00 H new HETATM 0 HB3 DPR A 153 6.759 2.424 -3.866 1.00 0.00 H new HETATM 0 HB2 DPR A 153 7.012 3.724 -2.719 1.00 0.00 H new HETATM 0 HA DPR A 153 5.783 4.075 -5.174 1.00 0.00 H new HETATM 124 N DAL A 152 6.750 6.117 -3.955 1.00 0.00 N HETATM 125 CA DAL A 152 7.018 7.504 -3.617 1.00 0.00 C HETATM 126 CB DAL A 152 8.506 7.800 -3.812 1.00 0.00 C HETATM 127 C DAL A 152 6.553 7.774 -2.184 1.00 0.00 C HETATM 128 O DAL A 152 7.296 7.539 -1.232 1.00 0.00 O HETATM 0 HB3 DAL A 152 9.094 7.149 -3.165 1.00 0.00 H new HETATM 0 HB2 DAL A 152 8.779 7.621 -4.852 1.00 0.00 H new HETATM 0 HB1 DAL A 152 8.706 8.841 -3.558 1.00 0.00 H new HETATM 0 HA DAL A 152 6.464 8.173 -4.276 1.00 0.00 H new HETATM 0 H DAL A 152 7.510 5.512 -4.266 1.00 0.00 H new HETATM 134 N DLE A 151 5.327 8.264 -2.076 1.00 0.00 N HETATM 135 CA DLE A 151 4.754 8.568 -0.776 1.00 0.00 C HETATM 136 CB DLE A 151 3.958 7.373 -0.248 1.00 0.00 C HETATM 137 CG DLE A 151 4.770 6.120 0.084 1.00 0.00 C HETATM 138 CD1 DLE A 151 4.132 4.874 -0.535 1.00 0.00 C HETATM 139 CD2 DLE A 151 4.962 5.975 1.595 1.00 0.00 C HETATM 140 C DLE A 151 3.937 9.858 -0.873 1.00 0.00 C HETATM 141 O DLE A 151 4.103 10.765 -0.059 1.00 0.00 O HETATM 0 HD23 DLE A 151 5.492 6.846 1.980 1.00 0.00 H new HETATM 0 HD22 DLE A 151 3.989 5.899 2.080 1.00 0.00 H new HETATM 0 HD21 DLE A 151 5.542 5.076 1.803 1.00 0.00 H new HETATM 0 HD13 DLE A 151 3.122 4.750 -0.144 1.00 0.00 H new HETATM 0 HD12 DLE A 151 4.090 4.987 -1.618 1.00 0.00 H new HETATM 0 HD11 DLE A 151 4.729 3.997 -0.284 1.00 0.00 H new HETATM 0 HG DLE A 151 5.761 6.228 -0.357 1.00 0.00 H new HETATM 0 HB3 DLE A 151 3.425 7.685 0.650 1.00 0.00 H new HETATM 0 HB2 DLE A 151 3.204 7.108 -0.990 1.00 0.00 H new HETATM 0 HA DLE A 151 5.542 8.744 -0.044 1.00 0.00 H new HETATM 153 N DSN A 150 3.071 9.899 -1.875 1.00 0.00 N HETATM 154 CA DSN A 150 2.228 11.062 -2.089 1.00 0.00 C HETATM 155 C DSN A 150 2.009 11.281 -3.587 1.00 0.00 C HETATM 156 O DSN A 150 0.994 10.857 -4.138 1.00 0.00 O HETATM 157 CB DSN A 150 0.884 10.907 -1.373 1.00 0.00 C HETATM 158 OG DSN A 150 0.908 9.852 -0.416 1.00 0.00 O HETATM 0 HG DSN A 150 0.033 9.786 0.020 1.00 0.00 H new HETATM 0 HB3 DSN A 150 0.628 11.842 -0.875 1.00 0.00 H new HETATM 0 HB2 DSN A 150 0.102 10.713 -2.107 1.00 0.00 H new HETATM 0 HA DSN A 150 2.734 11.933 -1.671 1.00 0.00 H new HETATM 0 H DSN A 150 3.419 9.368 -2.673 1.00 0.00 H new ATOM 164 N GLY A 149 2.976 11.944 -4.203 1.00 0.00 N ATOM 165 CA GLY A 149 2.902 12.225 -5.627 1.00 0.00 C ATOM 166 C GLY A 149 4.299 12.303 -6.244 1.00 0.00 C ATOM 167 O GLY A 149 4.697 11.421 -7.004 1.00 0.00 O ATOM 0 H GLY A 149 3.816 12.295 -3.742 1.00 0.00 H new ATOM 0 HA2 GLY A 149 2.324 11.447 -6.125 1.00 0.00 H new ATOM 0 HA3 GLY A 149 2.376 13.166 -5.789 1.00 0.00 H new HETATM 171 N DPN A 148 5.007 13.368 -5.895 1.00 0.00 N HETATM 172 CA DPN A 148 6.352 13.573 -6.406 1.00 0.00 C HETATM 173 C DPN A 148 6.856 14.979 -6.073 1.00 0.00 C HETATM 174 O DPN A 148 6.312 15.645 -5.194 1.00 0.00 O HETATM 175 CB DPN A 148 7.252 12.545 -5.719 1.00 0.00 C HETATM 176 CG DPN A 148 7.800 13.003 -4.365 1.00 0.00 C HETATM 177 CD1 DPN A 148 9.142 13.127 -4.182 1.00 0.00 C HETATM 178 CD2 DPN A 148 6.945 13.285 -3.346 1.00 0.00 C HETATM 179 CE1 DPN A 148 9.650 13.552 -2.925 1.00 0.00 C HETATM 180 CE2 DPN A 148 7.453 13.710 -2.090 1.00 0.00 C HETATM 181 CZ DPN A 148 8.794 13.835 -1.906 1.00 0.00 C HETATM 0 HZ DPN A 148 9.184 14.162 -0.942 1.00 0.00 H new HETATM 0 HE2 DPN A 148 6.768 13.936 -1.273 1.00 0.00 H new HETATM 0 HE1 DPN A 148 10.725 13.651 -2.777 1.00 0.00 H new HETATM 0 HD2 DPN A 148 5.870 13.185 -3.493 1.00 0.00 H new HETATM 0 HD1 DPN A 148 9.827 12.901 -4.999 1.00 0.00 H new HETATM 0 HB3 DPN A 148 6.690 11.622 -5.578 1.00 0.00 H new HETATM 0 HB2 DPN A 148 8.088 12.312 -6.378 1.00 0.00 H new HETATM 0 HA DPN A 148 6.360 13.461 -7.490 1.00 0.00 H new HETATM 0 H DPN A 148 4.533 14.117 -5.391 1.00 0.00 H new HETATM 191 N DAS A 147 7.890 15.388 -6.793 1.00 0.00 N HETATM 192 CA DAS A 147 8.474 16.702 -6.585 1.00 0.00 C HETATM 193 C DAS A 147 9.843 16.761 -7.266 1.00 0.00 C HETATM 194 O DAS A 147 10.005 17.431 -8.284 1.00 0.00 O HETATM 195 CB DAS A 147 7.596 17.797 -7.193 1.00 0.00 C HETATM 196 CG DAS A 147 6.091 17.602 -6.999 1.00 0.00 C HETATM 197 OD1 DAS A 147 5.407 17.019 -7.854 1.00 0.00 O HETATM 198 OD2 DAS A 147 5.616 18.082 -5.900 1.00 0.00 O HETATM 0 HD2 DAS A 147 5.671 17.403 -5.196 1.00 0.00 H new HETATM 0 HB3 DAS A 147 7.882 18.754 -6.758 1.00 0.00 H new HETATM 0 HB2 DAS A 147 7.804 17.858 -8.261 1.00 0.00 H new HETATM 0 HA DAS A 147 8.563 16.865 -5.511 1.00 0.00 H new HETATM 0 H DAS A 147 8.398 14.683 -7.327 1.00 0.00 H new ATOM 204 N GLY A 146 10.793 16.049 -6.677 1.00 0.00 N ATOM 205 CA GLY A 146 12.142 16.012 -7.214 1.00 0.00 C ATOM 206 C GLY A 146 13.043 17.025 -6.504 1.00 0.00 C ATOM 207 O GLY A 146 12.981 18.220 -6.786 1.00 0.00 O ATOM 0 H GLY A 146 10.655 15.493 -5.833 1.00 0.00 H new ATOM 0 HA2 GLY A 146 12.555 15.010 -7.100 1.00 0.00 H new ATOM 0 HA3 GLY A 146 12.118 16.227 -8.282 1.00 0.00 H new HETATM 211 N DAR A 145 13.859 16.509 -5.597 1.00 0.00 N HETATM 212 CA DAR A 145 14.772 17.353 -4.845 1.00 0.00 C HETATM 213 CB DAR A 145 15.870 17.918 -5.748 1.00 0.00 C HETATM 214 CG DAR A 145 16.518 16.811 -6.582 1.00 0.00 C HETATM 215 CD DAR A 145 15.669 16.481 -7.811 1.00 0.00 C HETATM 216 NE DAR A 145 14.995 15.177 -7.625 1.00 0.00 N HETATM 217 CZ DAR A 145 14.361 14.506 -8.610 1.00 0.00 C HETATM 218 NH1 DAR A 145 13.793 13.347 -8.332 1.00 0.00 N HETATM 219 NH2 DAR A 145 14.309 15.012 -9.861 1.00 0.00 N HETATM 220 C DAR A 145 15.415 16.558 -3.707 1.00 0.00 C HETATM 221 O DAR A 145 15.816 15.410 -3.896 1.00 0.00 O HETATM 0 HH22 DAR A 145 13.828 14.498 -10.599 1.00 0.00 H new HETATM 0 HH21 DAR A 145 14.751 15.908 -10.068 1.00 0.00 H new HETATM 0 HH12 DAR A 145 13.310 12.827 -9.065 1.00 0.00 H new HETATM 0 HH11 DAR A 145 13.837 12.972 -7.385 1.00 0.00 H new HETATM 0 HG3 DAR A 145 17.514 17.124 -6.897 1.00 0.00 H new HETATM 0 HG2 DAR A 145 16.643 15.917 -5.971 1.00 0.00 H new HETATM 0 HE DAR A 145 15.010 14.759 -6.695 1.00 0.00 H new HETATM 0 HD3 DAR A 145 14.927 17.263 -7.972 1.00 0.00 H new HETATM 0 HD2 DAR A 145 16.298 16.451 -8.701 1.00 0.00 H new HETATM 0 HB3 DAR A 145 15.449 18.676 -6.408 1.00 0.00 H new HETATM 0 HB2 DAR A 145 16.628 18.411 -5.140 1.00 0.00 H new HETATM 0 HA DAR A 145 14.195 18.181 -4.433 1.00 0.00 H new HETATM 234 N DVA A 144 15.494 17.199 -2.550 1.00 0.00 N HETATM 235 CA DVA A 144 16.082 16.566 -1.382 1.00 0.00 C HETATM 236 CB DVA A 144 14.987 15.921 -0.530 1.00 0.00 C HETATM 237 CG1 DVA A 144 15.546 15.445 0.812 1.00 0.00 C HETATM 238 CG2 DVA A 144 14.312 14.772 -1.282 1.00 0.00 C HETATM 239 C DVA A 144 16.910 17.596 -0.612 1.00 0.00 C HETATM 240 O DVA A 144 16.406 18.658 -0.250 1.00 0.00 O HETATM 0 HG23 DVA A 144 13.862 15.152 -2.199 1.00 0.00 H new HETATM 0 HG22 DVA A 144 15.054 14.013 -1.529 1.00 0.00 H new HETATM 0 HG21 DVA A 144 13.538 14.331 -0.654 1.00 0.00 H new HETATM 0 HG13 DVA A 144 16.332 14.710 0.639 1.00 0.00 H new HETATM 0 HG12 DVA A 144 15.957 16.295 1.357 1.00 0.00 H new HETATM 0 HG11 DVA A 144 14.747 14.991 1.398 1.00 0.00 H new HETATM 0 HB DVA A 144 14.230 16.679 -0.328 1.00 0.00 H new HETATM 0 HA DVA A 144 16.757 15.764 -1.681 1.00 0.00 H new ATOM 250 N GLY A 143 18.167 17.246 -0.384 1.00 0.00 N ATOM 251 CA GLY A 143 19.070 18.127 0.337 1.00 0.00 C ATOM 252 C GLY A 143 20.447 18.166 -0.330 1.00 0.00 C ATOM 253 O GLY A 143 20.982 17.129 -0.718 1.00 0.00 O ATOM 0 H GLY A 143 18.582 16.364 -0.686 1.00 0.00 H new ATOM 0 HA2 GLY A 143 18.651 19.133 0.373 1.00 0.00 H new ATOM 0 HA3 GLY A 143 19.171 17.786 1.367 1.00 0.00 H new HETATM 257 N DSN A 142 20.980 19.374 -0.442 1.00 0.00 N HETATM 258 CA DSN A 142 22.284 19.562 -1.056 1.00 0.00 C HETATM 259 C DSN A 142 22.489 21.037 -1.407 1.00 0.00 C HETATM 260 O DSN A 142 22.255 21.914 -0.577 1.00 0.00 O HETATM 261 CB DSN A 142 23.402 19.076 -0.132 1.00 0.00 C HETATM 262 OG DSN A 142 23.107 17.805 0.442 1.00 0.00 O HETATM 0 HG DSN A 142 22.560 17.283 -0.182 1.00 0.00 H new HETATM 0 HB3 DSN A 142 24.334 19.012 -0.693 1.00 0.00 H new HETATM 0 HB2 DSN A 142 23.558 19.805 0.663 1.00 0.00 H new HETATM 0 HA DSN A 142 22.321 18.969 -1.970 1.00 0.00 H new HETATM 0 H DSN A 142 20.360 20.173 -0.307 1.00 0.00 H new ATOM 268 N GLY A 141 22.924 21.264 -2.637 1.00 0.00 N ATOM 269 CA GLY A 141 23.163 22.618 -3.108 1.00 0.00 C ATOM 270 C GLY A 141 23.722 22.612 -4.533 1.00 0.00 C ATOM 271 O GLY A 141 24.680 21.898 -4.825 1.00 0.00 O ATOM 0 H GLY A 141 23.117 20.534 -3.322 1.00 0.00 H new ATOM 0 HA2 GLY A 141 22.233 23.186 -3.081 1.00 0.00 H new ATOM 0 HA3 GLY A 141 23.863 23.121 -2.441 1.00 0.00 H new HETATM 275 N NH2 A 140 23.098 23.416 -5.382 1.00 0.00 N TER 278 NH2 A 140