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 158 DGN H : 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 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 42:sc= 0.386 USER MOD Single : A 147 DAS OD2 : rot 180:sc= 0 USER MOD Single : A 150 DSN OG : rot 62:sc= -0.137! USER MOD Single : A 159 LML OXT : rot -107:sc= 0.988 USER MOD ----------------------------------------------------------------- HETATM 1 C1 LML A 159 -3.898 1.970 3.321 1.00 0.00 C HETATM 2 O1 LML A 159 -3.951 2.838 4.286 1.00 0.00 O HETATM 3 OXT LML A 159 -4.719 0.963 3.306 1.00 0.00 O HETATM 4 CA LML A 159 -2.888 2.130 2.223 1.00 0.00 C HETATM 5 CB LML A 159 -1.715 3.097 2.398 1.00 0.00 C HETATM 6 CG LML A 159 -1.558 4.165 1.314 1.00 0.00 C HETATM 7 CD1 LML A 159 -2.821 5.022 1.202 1.00 0.00 C HETATM 8 CD2 LML A 159 -0.309 5.015 1.558 1.00 0.00 C HETATM 9 C LML A 159 -2.459 0.678 1.997 1.00 0.00 C HETATM 10 O LML A 159 -2.586 -0.157 2.891 1.00 0.00 O HETATM 0 HD23 LML A 159 -0.389 5.509 2.526 1.00 0.00 H new HETATM 0 HD22 LML A 159 0.574 4.376 1.549 1.00 0.00 H new HETATM 0 HD21 LML A 159 -0.221 5.766 0.773 1.00 0.00 H new HETATM 0 HD13 LML A 159 -3.670 4.387 0.947 1.00 0.00 H new HETATM 0 HD12 LML A 159 -3.011 5.516 2.155 1.00 0.00 H new HETATM 0 HD11 LML A 159 -2.683 5.773 0.424 1.00 0.00 H new HETATM 0 HXT LML A 159 -4.235 0.143 3.539 1.00 0.00 H new HETATM 0 HG LML A 159 -1.423 3.662 0.356 1.00 0.00 H new HETATM 0 HB2 LML A 159 -1.823 3.598 3.360 1.00 0.00 H new HETATM 0 HB1 LML A 159 -0.794 2.515 2.443 1.00 0.00 H new HETATM 0 HA LML A 159 -3.341 2.644 1.375 1.00 0.00 H new HETATM 21 N DGN A 158 -1.960 0.423 0.797 1.00 0.00 N HETATM 22 CA DGN A 158 -1.512 -0.913 0.441 1.00 0.00 C HETATM 23 C DGN A 158 -2.482 -1.549 -0.557 1.00 0.00 C HETATM 24 O DGN A 158 -3.166 -0.846 -1.298 1.00 0.00 O HETATM 25 CB DGN A 158 -0.089 -0.883 -0.120 1.00 0.00 C HETATM 26 CG DGN A 158 0.278 -2.225 -0.756 1.00 0.00 C HETATM 27 CD DGN A 158 0.373 -3.326 0.302 1.00 0.00 C HETATM 28 OE1 DGN A 158 0.445 -3.073 1.494 1.00 0.00 O HETATM 29 NE2 DGN A 158 0.370 -4.558 -0.197 1.00 0.00 N HETATM 0 HE22 DGN A 158 0.430 -5.362 0.428 1.00 0.00 H new HETATM 0 HE21 DGN A 158 0.308 -4.700 -1.205 1.00 0.00 H new HETATM 0 HG3 DGN A 158 -0.471 -2.495 -1.501 1.00 0.00 H new HETATM 0 HG2 DGN A 158 1.230 -2.135 -1.279 1.00 0.00 H new HETATM 0 HB3 DGN A 158 -0.004 -0.089 -0.862 1.00 0.00 H new HETATM 0 HB2 DGN A 158 0.616 -0.650 0.678 1.00 0.00 H new HETATM 0 HA DGN A 158 -1.498 -1.523 1.344 1.00 0.00 H new HETATM 38 N DAR A 157 -2.509 -2.874 -0.543 1.00 0.00 N HETATM 39 CA DAR A 157 -3.383 -3.613 -1.438 1.00 0.00 C HETATM 40 CB DAR A 157 -2.882 -5.045 -1.638 1.00 0.00 C HETATM 41 CG DAR A 157 -3.987 -5.938 -2.207 1.00 0.00 C HETATM 42 CD DAR A 157 -4.582 -5.331 -3.479 1.00 0.00 C HETATM 43 NE DAR A 157 -5.366 -6.353 -4.209 1.00 0.00 N HETATM 44 CZ DAR A 157 -4.821 -7.407 -4.852 1.00 0.00 C HETATM 45 NH1 DAR A 157 -5.616 -8.259 -5.472 1.00 0.00 N HETATM 46 NH2 DAR A 157 -3.483 -7.588 -4.860 1.00 0.00 N HETATM 47 C DAR A 157 -3.467 -2.915 -2.796 1.00 0.00 C HETATM 48 O DAR A 157 -4.509 -2.370 -3.155 1.00 0.00 O HETATM 0 HH22 DAR A 157 -3.079 -8.387 -5.348 1.00 0.00 H new HETATM 0 HH21 DAR A 157 -2.876 -6.925 -4.378 1.00 0.00 H new HETATM 0 HH12 DAR A 157 -5.221 -9.061 -5.963 1.00 0.00 H new HETATM 0 HH11 DAR A 157 -6.626 -8.115 -5.460 1.00 0.00 H new HETATM 0 HG3 DAR A 157 -3.584 -6.927 -2.426 1.00 0.00 H new HETATM 0 HG2 DAR A 157 -4.771 -6.071 -1.462 1.00 0.00 H new HETATM 0 HE DAR A 157 -6.381 -6.254 -4.227 1.00 0.00 H new HETATM 0 HD3 DAR A 157 -5.220 -4.485 -3.224 1.00 0.00 H new HETATM 0 HD2 DAR A 157 -3.785 -4.948 -4.116 1.00 0.00 H new HETATM 0 HB3 DAR A 157 -2.027 -5.044 -2.313 1.00 0.00 H new HETATM 0 HB2 DAR A 157 -2.536 -5.449 -0.687 1.00 0.00 H new HETATM 0 HA DAR A 157 -4.372 -3.646 -0.982 1.00 0.00 H new HETATM 0 H DAR A 157 -1.688 -3.327 -0.143 1.00 0.00 H new HETATM 61 N DAL A 156 -2.354 -2.953 -3.515 1.00 0.00 N HETATM 62 CA DAL A 156 -2.288 -2.330 -4.826 1.00 0.00 C HETATM 63 CB DAL A 156 -2.701 -3.344 -5.894 1.00 0.00 C HETATM 64 C DAL A 156 -0.878 -1.783 -5.055 1.00 0.00 C HETATM 65 O DAL A 156 -0.160 -2.257 -5.934 1.00 0.00 O HETATM 0 HB3 DAL A 156 -2.026 -4.199 -5.864 1.00 0.00 H new HETATM 0 HB2 DAL A 156 -3.720 -3.679 -5.702 1.00 0.00 H new HETATM 0 HB1 DAL A 156 -2.652 -2.877 -6.878 1.00 0.00 H new HETATM 0 HA DAL A 156 -2.981 -1.491 -4.888 1.00 0.00 H new HETATM 71 N DVA A 155 -0.523 -0.793 -4.250 1.00 0.00 N HETATM 72 CA DVA A 155 0.788 -0.176 -4.354 1.00 0.00 C HETATM 73 CB DVA A 155 1.819 -1.006 -3.587 1.00 0.00 C HETATM 74 CG1 DVA A 155 3.232 -0.754 -4.119 1.00 0.00 C HETATM 75 CG2 DVA A 155 1.472 -2.495 -3.637 1.00 0.00 C HETATM 76 C DVA A 155 0.706 1.273 -3.869 1.00 0.00 C HETATM 77 O DVA A 155 -0.187 1.624 -3.100 1.00 0.00 O HETATM 0 HG23 DVA A 155 0.492 -2.655 -3.189 1.00 0.00 H new HETATM 0 HG22 DVA A 155 1.456 -2.830 -4.674 1.00 0.00 H new HETATM 0 HG21 DVA A 155 2.221 -3.062 -3.084 1.00 0.00 H new HETATM 0 HG13 DVA A 155 3.278 -1.027 -5.173 1.00 0.00 H new HETATM 0 HG12 DVA A 155 3.480 0.301 -4.007 1.00 0.00 H new HETATM 0 HG11 DVA A 155 3.945 -1.356 -3.556 1.00 0.00 H new HETATM 0 HB DVA A 155 1.793 -0.691 -2.544 1.00 0.00 H new HETATM 0 HA DVA A 155 1.117 -0.152 -5.393 1.00 0.00 H new HETATM 87 N DAR A 154 1.650 2.075 -4.339 1.00 0.00 N HETATM 88 CA DAR A 154 1.696 3.478 -3.962 1.00 0.00 C HETATM 89 CB DAR A 154 0.507 4.244 -4.546 1.00 0.00 C HETATM 90 CG DAR A 154 0.022 3.595 -5.844 1.00 0.00 C HETATM 91 CD DAR A 154 1.072 3.727 -6.949 1.00 0.00 C HETATM 92 NE DAR A 154 2.064 2.634 -6.837 1.00 0.00 N HETATM 93 CZ DAR A 154 1.846 1.369 -7.255 1.00 0.00 C HETATM 94 NH1 DAR A 154 2.803 0.472 -7.106 1.00 0.00 N HETATM 95 NH2 DAR A 154 0.667 1.025 -7.816 1.00 0.00 N HETATM 96 C DAR A 154 2.997 4.117 -4.453 1.00 0.00 C HETATM 97 O DAR A 154 2.970 5.070 -5.229 1.00 0.00 O HETATM 0 HH22 DAR A 154 0.511 0.067 -8.129 1.00 0.00 H new HETATM 0 HH21 DAR A 154 -0.068 1.723 -7.927 1.00 0.00 H new HETATM 0 HH12 DAR A 154 2.655 -0.488 -7.416 1.00 0.00 H new HETATM 0 HH11 DAR A 154 3.691 0.739 -6.680 1.00 0.00 H new HETATM 0 HG3 DAR A 154 -0.196 2.542 -5.669 1.00 0.00 H new HETATM 0 HG2 DAR A 154 -0.908 4.064 -6.164 1.00 0.00 H new HETATM 0 HE DAR A 154 2.968 2.850 -6.418 1.00 0.00 H new HETATM 0 HD3 DAR A 154 0.590 3.693 -7.926 1.00 0.00 H new HETATM 0 HD2 DAR A 154 1.572 4.693 -6.873 1.00 0.00 H new HETATM 0 HB3 DAR A 154 -0.307 4.268 -3.821 1.00 0.00 H new HETATM 0 HB2 DAR A 154 0.794 5.278 -4.737 1.00 0.00 H new HETATM 0 HA DAR A 154 1.649 3.531 -2.874 1.00 0.00 H new HETATM 110 N DPR A 153 4.134 3.551 -3.967 1.00 0.00 N HETATM 111 CA DPR A 153 5.442 4.056 -4.347 1.00 0.00 C HETATM 112 CB DPR A 153 6.413 2.943 -3.987 1.00 0.00 C HETATM 113 CG DPR A 153 5.679 2.053 -2.998 1.00 0.00 C HETATM 114 CD DPR A 153 4.204 2.421 -3.046 1.00 0.00 C HETATM 115 C DPR A 153 5.751 5.373 -3.633 1.00 0.00 C HETATM 116 O DPR A 153 5.094 5.721 -2.653 1.00 0.00 O HETATM 0 HG3 DPR A 153 5.819 1.002 -3.253 1.00 0.00 H new HETATM 0 HG2 DPR A 153 6.075 2.192 -1.992 1.00 0.00 H new HETATM 0 HD3 DPR A 153 3.831 2.692 -2.058 1.00 0.00 H new HETATM 0 HD2 DPR A 153 3.599 1.586 -3.398 1.00 0.00 H new HETATM 0 HB3 DPR A 153 6.709 2.381 -4.873 1.00 0.00 H new HETATM 0 HB2 DPR A 153 7.325 3.347 -3.547 1.00 0.00 H new HETATM 0 HA DPR A 153 5.508 4.296 -5.408 1.00 0.00 H new HETATM 124 N DAL A 152 6.751 6.070 -4.152 1.00 0.00 N HETATM 125 CA DAL A 152 7.155 7.342 -3.577 1.00 0.00 C HETATM 126 CB DAL A 152 8.676 7.369 -3.415 1.00 0.00 C HETATM 127 C DAL A 152 6.423 7.551 -2.249 1.00 0.00 C HETATM 128 O DAL A 152 6.911 7.143 -1.196 1.00 0.00 O HETATM 0 HB3 DAL A 152 8.986 6.558 -2.756 1.00 0.00 H new HETATM 0 HB2 DAL A 152 9.148 7.245 -4.390 1.00 0.00 H new HETATM 0 HB1 DAL A 152 8.979 8.323 -2.984 1.00 0.00 H new HETATM 0 HA DAL A 152 6.883 8.166 -4.237 1.00 0.00 H new HETATM 0 H DAL A 152 7.454 5.366 -4.378 1.00 0.00 H new HETATM 134 N DLE A 151 5.265 8.187 -2.343 1.00 0.00 N HETATM 135 CA DLE A 151 4.461 8.455 -1.162 1.00 0.00 C HETATM 136 CB DLE A 151 3.534 7.274 -0.865 1.00 0.00 C HETATM 137 CG DLE A 151 2.240 7.217 -1.679 1.00 0.00 C HETATM 138 CD1 DLE A 151 1.327 6.095 -1.178 1.00 0.00 C HETATM 139 CD2 DLE A 151 2.537 7.089 -3.174 1.00 0.00 C HETATM 140 C DLE A 151 3.725 9.784 -1.343 1.00 0.00 C HETATM 141 O DLE A 151 3.655 10.590 -0.416 1.00 0.00 O HETATM 0 HD23 DLE A 151 3.119 7.949 -3.504 1.00 0.00 H new HETATM 0 HD22 DLE A 151 3.104 6.176 -3.355 1.00 0.00 H new HETATM 0 HD21 DLE A 151 1.600 7.051 -3.729 1.00 0.00 H new HETATM 0 HD13 DLE A 151 1.841 5.138 -1.271 1.00 0.00 H new HETATM 0 HD12 DLE A 151 1.075 6.271 -0.132 1.00 0.00 H new HETATM 0 HD11 DLE A 151 0.414 6.076 -1.773 1.00 0.00 H new HETATM 0 HG DLE A 151 1.705 8.156 -1.537 1.00 0.00 H new HETATM 0 HB3 DLE A 151 4.088 6.351 -1.035 1.00 0.00 H new HETATM 0 HB2 DLE A 151 3.274 7.299 0.193 1.00 0.00 H new HETATM 0 HA DLE A 151 5.098 8.559 -0.283 1.00 0.00 H new HETATM 153 N DSN A 150 3.195 9.972 -2.542 1.00 0.00 N HETATM 154 CA DSN A 150 2.467 11.190 -2.856 1.00 0.00 C HETATM 155 C DSN A 150 2.173 11.251 -4.356 1.00 0.00 C HETATM 156 O DSN A 150 1.704 10.276 -4.941 1.00 0.00 O HETATM 157 CB DSN A 150 1.165 11.275 -2.056 1.00 0.00 C HETATM 158 OG DSN A 150 1.210 10.475 -0.877 1.00 0.00 O HETATM 0 HG DSN A 150 1.926 10.797 -0.290 1.00 0.00 H new HETATM 0 HB3 DSN A 150 0.974 12.313 -1.783 1.00 0.00 H new HETATM 0 HB2 DSN A 150 0.333 10.952 -2.682 1.00 0.00 H new HETATM 0 HA DSN A 150 3.088 12.042 -2.579 1.00 0.00 H new HETATM 0 H DSN A 150 3.431 9.313 -3.284 1.00 0.00 H new ATOM 164 N GLY A 149 2.460 12.408 -4.936 1.00 0.00 N ATOM 165 CA GLY A 149 2.233 12.609 -6.357 1.00 0.00 C ATOM 166 C GLY A 149 3.536 12.961 -7.077 1.00 0.00 C ATOM 167 O GLY A 149 4.048 12.167 -7.864 1.00 0.00 O ATOM 0 H GLY A 149 2.848 13.215 -4.447 1.00 0.00 H new ATOM 0 HA2 GLY A 149 1.806 11.705 -6.792 1.00 0.00 H new ATOM 0 HA3 GLY A 149 1.506 13.408 -6.503 1.00 0.00 H new HETATM 171 N DPN A 148 4.035 14.152 -6.781 1.00 0.00 N HETATM 172 CA DPN A 148 5.269 14.619 -7.390 1.00 0.00 C HETATM 173 C DPN A 148 5.425 16.132 -7.223 1.00 0.00 C HETATM 174 O DPN A 148 4.939 16.706 -6.250 1.00 0.00 O HETATM 175 CB DPN A 148 6.419 13.917 -6.665 1.00 0.00 C HETATM 176 CG DPN A 148 6.153 12.442 -6.358 1.00 0.00 C HETATM 177 CD1 DPN A 148 6.431 11.493 -7.292 1.00 0.00 C HETATM 178 CD2 DPN A 148 5.640 12.080 -5.152 1.00 0.00 C HETATM 179 CE1 DPN A 148 6.184 10.124 -7.008 1.00 0.00 C HETATM 180 CE2 DPN A 148 5.394 10.710 -4.868 1.00 0.00 C HETATM 181 CZ DPN A 148 5.671 9.761 -5.801 1.00 0.00 C HETATM 0 HZ DPN A 148 5.482 8.710 -5.582 1.00 0.00 H new HETATM 0 HE2 DPN A 148 4.983 10.420 -3.901 1.00 0.00 H new HETATM 0 HE1 DPN A 148 6.405 9.364 -7.757 1.00 0.00 H new HETATM 0 HD2 DPN A 148 5.418 12.841 -4.404 1.00 0.00 H new HETATM 0 HD1 DPN A 148 6.843 11.783 -8.258 1.00 0.00 H new HETATM 0 HB3 DPN A 148 7.320 13.994 -7.274 1.00 0.00 H new HETATM 0 HB2 DPN A 148 6.620 14.441 -5.731 1.00 0.00 H new HETATM 0 HA DPN A 148 5.264 14.397 -8.457 1.00 0.00 H new HETATM 0 H DPN A 148 3.410 14.815 -6.322 1.00 0.00 H new HETATM 191 N DAS A 147 6.104 16.734 -8.188 1.00 0.00 N HETATM 192 CA DAS A 147 6.330 18.170 -8.160 1.00 0.00 C HETATM 193 C DAS A 147 7.403 18.533 -9.189 1.00 0.00 C HETATM 194 O DAS A 147 7.108 19.165 -10.202 1.00 0.00 O HETATM 195 CB DAS A 147 5.054 18.935 -8.517 1.00 0.00 C HETATM 196 CG DAS A 147 3.760 18.319 -7.984 1.00 0.00 C HETATM 197 OD1 DAS A 147 3.356 18.572 -6.839 1.00 0.00 O HETATM 198 OD2 DAS A 147 3.148 17.537 -8.808 1.00 0.00 O HETATM 0 HD2 DAS A 147 2.336 17.188 -8.385 1.00 0.00 H new HETATM 0 HB3 DAS A 147 5.139 19.952 -8.134 1.00 0.00 H new HETATM 0 HB2 DAS A 147 4.984 19.008 -9.602 1.00 0.00 H new HETATM 0 HA DAS A 147 6.644 18.443 -7.152 1.00 0.00 H new HETATM 0 H DAS A 147 6.633 16.147 -8.833 1.00 0.00 H new ATOM 204 N GLY A 146 8.626 18.117 -8.894 1.00 0.00 N ATOM 205 CA GLY A 146 9.744 18.390 -9.780 1.00 0.00 C ATOM 206 C GLY A 146 11.073 18.312 -9.027 1.00 0.00 C ATOM 207 O GLY A 146 11.432 19.235 -8.297 1.00 0.00 O ATOM 0 H GLY A 146 8.867 17.593 -8.053 1.00 0.00 H new ATOM 0 HA2 GLY A 146 9.745 17.673 -10.601 1.00 0.00 H new ATOM 0 HA3 GLY A 146 9.630 19.380 -10.221 1.00 0.00 H new HETATM 211 N DAR A 145 11.767 17.202 -9.230 1.00 0.00 N HETATM 212 CA DAR A 145 13.049 16.991 -8.579 1.00 0.00 C HETATM 213 CB DAR A 145 14.107 17.954 -9.121 1.00 0.00 C HETATM 214 CG DAR A 145 14.276 17.787 -10.633 1.00 0.00 C HETATM 215 CD DAR A 145 13.502 18.866 -11.393 1.00 0.00 C HETATM 216 NE DAR A 145 13.820 20.201 -10.840 1.00 0.00 N HETATM 217 CZ DAR A 145 14.858 20.962 -11.248 1.00 0.00 C HETATM 218 NH1 DAR A 145 15.048 22.141 -10.684 1.00 0.00 N HETATM 219 NH2 DAR A 145 15.689 20.525 -12.217 1.00 0.00 N HETATM 220 C DAR A 145 13.522 15.552 -8.791 1.00 0.00 C HETATM 221 O DAR A 145 13.342 14.988 -9.869 1.00 0.00 O HETATM 0 HH22 DAR A 145 16.471 21.107 -12.519 1.00 0.00 H new HETATM 0 HH21 DAR A 145 15.536 19.613 -12.647 1.00 0.00 H new HETATM 0 HH12 DAR A 145 15.827 22.728 -10.980 1.00 0.00 H new HETATM 0 HH11 DAR A 145 14.415 22.464 -9.952 1.00 0.00 H new HETATM 0 HG3 DAR A 145 15.333 17.842 -10.893 1.00 0.00 H new HETATM 0 HG2 DAR A 145 13.924 16.801 -10.935 1.00 0.00 H new HETATM 0 HE DAR A 145 13.217 20.570 -10.104 1.00 0.00 H new HETATM 0 HD3 DAR A 145 13.758 18.831 -12.452 1.00 0.00 H new HETATM 0 HD2 DAR A 145 12.431 18.678 -11.318 1.00 0.00 H new HETATM 0 HB3 DAR A 145 13.820 18.981 -8.895 1.00 0.00 H new HETATM 0 HB2 DAR A 145 15.059 17.772 -8.623 1.00 0.00 H new HETATM 0 HA DAR A 145 12.915 17.179 -7.514 1.00 0.00 H new HETATM 234 N DVA A 144 14.118 14.998 -7.745 1.00 0.00 N HETATM 235 CA DVA A 144 14.618 13.635 -7.803 1.00 0.00 C HETATM 236 CB DVA A 144 13.509 12.654 -7.419 1.00 0.00 C HETATM 237 CG1 DVA A 144 13.284 12.646 -5.906 1.00 0.00 C HETATM 238 CG2 DVA A 144 13.818 11.247 -7.935 1.00 0.00 C HETATM 239 C DVA A 144 15.858 13.513 -6.916 1.00 0.00 C HETATM 240 O DVA A 144 15.826 13.885 -5.744 1.00 0.00 O HETATM 0 HG23 DVA A 144 13.904 11.269 -9.021 1.00 0.00 H new HETATM 0 HG22 DVA A 144 14.757 10.899 -7.503 1.00 0.00 H new HETATM 0 HG21 DVA A 144 13.014 10.570 -7.648 1.00 0.00 H new HETATM 0 HG13 DVA A 144 14.204 12.348 -5.403 1.00 0.00 H new HETATM 0 HG12 DVA A 144 12.997 13.644 -5.576 1.00 0.00 H new HETATM 0 HG11 DVA A 144 12.491 11.940 -5.660 1.00 0.00 H new HETATM 0 HB DVA A 144 12.587 12.989 -7.893 1.00 0.00 H new HETATM 0 HA DVA A 144 14.920 13.382 -8.819 1.00 0.00 H new ATOM 250 N GLY A 143 16.921 12.990 -7.508 1.00 0.00 N ATOM 251 CA GLY A 143 18.170 12.814 -6.786 1.00 0.00 C ATOM 252 C GLY A 143 19.111 11.872 -7.539 1.00 0.00 C ATOM 253 O GLY A 143 18.703 10.794 -7.968 1.00 0.00 O ATOM 0 H GLY A 143 16.944 12.682 -8.480 1.00 0.00 H new ATOM 0 HA2 GLY A 143 18.653 13.781 -6.647 1.00 0.00 H new ATOM 0 HA3 GLY A 143 17.967 12.413 -5.793 1.00 0.00 H new HETATM 257 N DSN A 142 20.353 12.313 -7.677 1.00 0.00 N HETATM 258 CA DSN A 142 21.355 11.522 -8.371 1.00 0.00 C HETATM 259 C DSN A 142 22.579 12.385 -8.682 1.00 0.00 C HETATM 260 O DSN A 142 23.325 12.760 -7.778 1.00 0.00 O HETATM 261 CB DSN A 142 21.763 10.301 -7.543 1.00 0.00 C HETATM 262 OG DSN A 142 20.634 9.632 -6.987 1.00 0.00 O HETATM 0 HG DSN A 142 19.920 9.584 -7.656 1.00 0.00 H new HETATM 0 HB3 DSN A 142 22.322 9.608 -8.171 1.00 0.00 H new HETATM 0 HB2 DSN A 142 22.431 10.614 -6.740 1.00 0.00 H new HETATM 0 HA DSN A 142 20.922 11.166 -9.306 1.00 0.00 H new HETATM 0 H DSN A 142 20.532 13.296 -7.471 1.00 0.00 H new ATOM 268 N GLY A 141 22.749 12.675 -9.963 1.00 0.00 N ATOM 269 CA GLY A 141 23.870 13.487 -10.405 1.00 0.00 C ATOM 270 C GLY A 141 23.404 14.599 -11.347 1.00 0.00 C ATOM 271 O GLY A 141 22.245 14.623 -11.759 1.00 0.00 O ATOM 0 H GLY A 141 22.129 12.362 -10.710 1.00 0.00 H new ATOM 0 HA2 GLY A 141 24.370 13.924 -9.541 1.00 0.00 H new ATOM 0 HA3 GLY A 141 24.601 12.858 -10.913 1.00 0.00 H new HETATM 275 N NH2 A 140 24.332 15.491 -11.662 1.00 0.00 N TER 278 NH2 A 140