USER MOD reduce.3.24.130724 H: found=0, std=0, add=132, 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 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 30:sc= 0.045! USER MOD Single : A 147 DAS OD2 : rot 180:sc= -0.297 USER MOD Single : A 150 DSN OG : rot 180:sc= 0 USER MOD Single : A 159 LML OXT : rot 120:sc= -1.11 USER MOD ----------------------------------------------------------------- HETATM 1 C1 LML A 159 -3.882 2.893 0.076 1.00 0.00 C HETATM 2 O1 LML A 159 -4.888 2.125 -0.218 1.00 0.00 O HETATM 3 OXT LML A 159 -4.085 4.136 0.398 1.00 0.00 O HETATM 4 CA LML A 159 -2.486 2.346 0.044 1.00 0.00 C HETATM 5 CB LML A 159 -1.295 3.274 0.289 1.00 0.00 C HETATM 6 CG LML A 159 -1.375 4.656 -0.364 1.00 0.00 C HETATM 7 CD1 LML A 159 -1.250 5.765 0.681 1.00 0.00 C HETATM 8 CD2 LML A 159 -0.336 4.797 -1.478 1.00 0.00 C HETATM 9 C LML A 159 -2.590 1.200 1.053 1.00 0.00 C HETATM 10 O LML A 159 -3.448 1.219 1.934 1.00 0.00 O HETATM 0 HD23 LML A 159 0.663 4.664 -1.063 1.00 0.00 H new HETATM 0 HD22 LML A 159 -0.515 4.039 -2.241 1.00 0.00 H new HETATM 0 HD21 LML A 159 -0.414 5.788 -1.925 1.00 0.00 H new HETATM 0 HD13 LML A 159 -2.059 5.674 1.406 1.00 0.00 H new HETATM 0 HD12 LML A 159 -0.292 5.676 1.193 1.00 0.00 H new HETATM 0 HD11 LML A 159 -1.310 6.736 0.190 1.00 0.00 H new HETATM 0 HXT LML A 159 -3.747 4.299 1.303 1.00 0.00 H new HETATM 0 HG LML A 159 -2.357 4.759 -0.825 1.00 0.00 H new HETATM 0 HB2 LML A 159 -1.180 3.408 1.365 1.00 0.00 H new HETATM 0 HB1 LML A 159 -0.393 2.777 -0.068 1.00 0.00 H new HETATM 0 HA LML A 159 -2.219 2.076 -0.977 1.00 0.00 H new HETATM 21 N DGN A 158 -1.703 0.229 0.890 1.00 0.00 N HETATM 22 CA DGN A 158 -1.684 -0.923 1.775 1.00 0.00 C HETATM 23 C DGN A 158 -2.364 -2.119 1.104 1.00 0.00 C HETATM 24 O DGN A 158 -2.839 -3.028 1.783 1.00 0.00 O HETATM 25 CB DGN A 158 -0.254 -1.269 2.193 1.00 0.00 C HETATM 26 CG DGN A 158 -0.182 -2.678 2.785 1.00 0.00 C HETATM 27 CD DGN A 158 -0.993 -2.772 4.079 1.00 0.00 C HETATM 28 OE1 DGN A 158 -2.129 -3.216 4.100 1.00 0.00 O HETATM 29 NE2 DGN A 158 -0.348 -2.329 5.155 1.00 0.00 N HETATM 0 HE22 DGN A 158 -0.804 -2.349 6.067 1.00 0.00 H new HETATM 0 HE21 DGN A 158 0.602 -1.969 5.068 1.00 0.00 H new HETATM 0 HG3 DGN A 158 -0.560 -3.400 2.061 1.00 0.00 H new HETATM 0 HG2 DGN A 158 0.857 -2.940 2.983 1.00 0.00 H new HETATM 0 HB3 DGN A 158 0.408 -1.199 1.330 1.00 0.00 H new HETATM 0 HB2 DGN A 158 0.100 -0.544 2.926 1.00 0.00 H new HETATM 0 HA DGN A 158 -2.241 -0.673 2.678 1.00 0.00 H new HETATM 38 N DAR A 157 -2.389 -2.079 -0.220 1.00 0.00 N HETATM 39 CA DAR A 157 -3.003 -3.147 -0.989 1.00 0.00 C HETATM 40 CB DAR A 157 -2.128 -4.402 -0.984 1.00 0.00 C HETATM 41 CG DAR A 157 -2.673 -5.454 -1.952 1.00 0.00 C HETATM 42 CD DAR A 157 -3.995 -6.033 -1.446 1.00 0.00 C HETATM 43 NE DAR A 157 -3.827 -6.555 -0.071 1.00 0.00 N HETATM 44 CZ DAR A 157 -4.830 -6.664 0.825 1.00 0.00 C HETATM 45 NH1 DAR A 157 -4.566 -7.144 2.026 1.00 0.00 N HETATM 46 NH2 DAR A 157 -6.085 -6.288 0.498 1.00 0.00 N HETATM 47 C DAR A 157 -3.230 -2.698 -2.434 1.00 0.00 C HETATM 48 O DAR A 157 -4.323 -2.259 -2.787 1.00 0.00 O HETATM 0 HH22 DAR A 157 -6.837 -6.374 1.181 1.00 0.00 H new HETATM 0 HH21 DAR A 157 -6.281 -5.918 -0.432 1.00 0.00 H new HETATM 0 HH12 DAR A 157 -5.313 -7.233 2.715 1.00 0.00 H new HETATM 0 HH11 DAR A 157 -3.615 -7.426 2.265 1.00 0.00 H new HETATM 0 HG3 DAR A 157 -2.820 -5.007 -2.935 1.00 0.00 H new HETATM 0 HG2 DAR A 157 -1.944 -6.255 -2.072 1.00 0.00 H new HETATM 0 HE DAR A 157 -2.894 -6.851 0.217 1.00 0.00 H new HETATM 0 HD3 DAR A 157 -4.767 -5.264 -1.460 1.00 0.00 H new HETATM 0 HD2 DAR A 157 -4.329 -6.832 -2.109 1.00 0.00 H new HETATM 0 HB3 DAR A 157 -1.108 -4.139 -1.263 1.00 0.00 H new HETATM 0 HB2 DAR A 157 -2.086 -4.816 0.023 1.00 0.00 H new HETATM 0 HA DAR A 157 -3.960 -3.383 -0.524 1.00 0.00 H new HETATM 61 N DAL A 156 -2.179 -2.824 -3.231 1.00 0.00 N HETATM 62 CA DAL A 156 -2.249 -2.437 -4.630 1.00 0.00 C HETATM 63 CB DAL A 156 -2.757 -3.616 -5.461 1.00 0.00 C HETATM 64 C DAL A 156 -0.874 -1.948 -5.089 1.00 0.00 C HETATM 65 O DAL A 156 -0.223 -2.596 -5.907 1.00 0.00 O HETATM 0 HB3 DAL A 156 -2.075 -4.459 -5.351 1.00 0.00 H new HETATM 0 HB2 DAL A 156 -3.749 -3.905 -5.114 1.00 0.00 H new HETATM 0 HB1 DAL A 156 -2.810 -3.326 -6.510 1.00 0.00 H new HETATM 0 HA DAL A 156 -2.953 -1.616 -4.766 1.00 0.00 H new HETATM 71 N DVA A 155 -0.473 -0.809 -4.544 1.00 0.00 N HETATM 72 CA DVA A 155 0.813 -0.226 -4.887 1.00 0.00 C HETATM 73 CB DVA A 155 1.920 -0.872 -4.052 1.00 0.00 C HETATM 74 CG1 DVA A 155 3.278 -0.739 -4.744 1.00 0.00 C HETATM 75 CG2 DVA A 155 1.598 -2.338 -3.753 1.00 0.00 C HETATM 76 C DVA A 155 0.742 1.292 -4.715 1.00 0.00 C HETATM 77 O DVA A 155 -0.092 1.797 -3.965 1.00 0.00 O HETATM 0 HG23 DVA A 155 0.662 -2.399 -3.198 1.00 0.00 H new HETATM 0 HG22 DVA A 155 1.501 -2.888 -4.689 1.00 0.00 H new HETATM 0 HG21 DVA A 155 2.401 -2.773 -3.158 1.00 0.00 H new HETATM 0 HG13 DVA A 155 3.241 -1.232 -5.716 1.00 0.00 H new HETATM 0 HG12 DVA A 155 3.515 0.316 -4.881 1.00 0.00 H new HETATM 0 HG11 DVA A 155 4.047 -1.207 -4.129 1.00 0.00 H new HETATM 0 HB DVA A 155 1.975 -0.341 -3.102 1.00 0.00 H new HETATM 0 HA DVA A 155 1.056 -0.423 -5.931 1.00 0.00 H new HETATM 87 N DAR A 154 1.628 1.978 -5.423 1.00 0.00 N HETATM 88 CA DAR A 154 1.676 3.429 -5.357 1.00 0.00 C HETATM 89 CB DAR A 154 0.964 4.058 -6.556 1.00 0.00 C HETATM 90 CG DAR A 154 -0.091 3.108 -7.128 1.00 0.00 C HETATM 91 CD DAR A 154 0.477 2.294 -8.292 1.00 0.00 C HETATM 92 NE DAR A 154 0.560 0.865 -7.917 1.00 0.00 N HETATM 93 CZ DAR A 154 1.437 -0.009 -8.456 1.00 0.00 C HETATM 94 NH1 DAR A 154 1.423 -1.263 -8.046 1.00 0.00 N HETATM 95 NH2 DAR A 154 2.315 0.395 -9.398 1.00 0.00 N HETATM 96 C DAR A 154 3.128 3.910 -5.325 1.00 0.00 C HETATM 97 O DAR A 154 3.567 4.630 -6.221 1.00 0.00 O HETATM 0 HH22 DAR A 154 2.974 -0.271 -9.800 1.00 0.00 H new HETATM 0 HH21 DAR A 154 2.319 1.367 -9.708 1.00 0.00 H new HETATM 0 HH12 DAR A 154 2.078 -1.937 -8.442 1.00 0.00 H new HETATM 0 HH11 DAR A 154 0.757 -1.559 -7.333 1.00 0.00 H new HETATM 0 HG3 DAR A 154 -0.441 2.435 -6.346 1.00 0.00 H new HETATM 0 HG2 DAR A 154 -0.955 3.680 -7.467 1.00 0.00 H new HETATM 0 HE DAR A 154 -0.085 0.519 -7.207 1.00 0.00 H new HETATM 0 HD3 DAR A 154 -0.156 2.411 -9.172 1.00 0.00 H new HETATM 0 HD2 DAR A 154 1.466 2.667 -8.559 1.00 0.00 H new HETATM 0 HB3 DAR A 154 0.491 4.992 -6.254 1.00 0.00 H new HETATM 0 HB2 DAR A 154 1.693 4.305 -7.328 1.00 0.00 H new HETATM 0 HA DAR A 154 1.167 3.737 -4.444 1.00 0.00 H new HETATM 110 N DPR A 153 3.852 3.482 -4.256 1.00 0.00 N HETATM 111 CA DPR A 153 5.245 3.862 -4.095 1.00 0.00 C HETATM 112 CB DPR A 153 5.808 2.875 -3.087 1.00 0.00 C HETATM 113 CG DPR A 153 4.607 2.276 -2.374 1.00 0.00 C HETATM 114 CD DPR A 153 3.365 2.629 -3.176 1.00 0.00 C HETATM 115 C DPR A 153 5.368 5.318 -3.640 1.00 0.00 C HETATM 116 O DPR A 153 4.361 5.997 -3.444 1.00 0.00 O HETATM 0 HG3 DPR A 153 4.713 1.194 -2.291 1.00 0.00 H new HETATM 0 HG2 DPR A 153 4.531 2.668 -1.360 1.00 0.00 H new HETATM 0 HD3 DPR A 153 2.631 3.149 -2.561 1.00 0.00 H new HETATM 0 HD2 DPR A 153 2.878 1.735 -3.566 1.00 0.00 H new HETATM 0 HB3 DPR A 153 6.393 2.101 -3.583 1.00 0.00 H new HETATM 0 HB2 DPR A 153 6.472 3.374 -2.381 1.00 0.00 H new HETATM 0 HA DPR A 153 5.803 3.818 -5.030 1.00 0.00 H new HETATM 124 N DAL A 152 6.609 5.753 -3.484 1.00 0.00 N HETATM 125 CA DAL A 152 6.876 7.116 -3.055 1.00 0.00 C HETATM 126 CB DAL A 152 8.388 7.339 -2.974 1.00 0.00 C HETATM 127 C DAL A 152 6.177 7.371 -1.719 1.00 0.00 C HETATM 128 O DAL A 152 6.610 6.872 -0.682 1.00 0.00 O HETATM 0 HB3 DAL A 152 8.821 6.641 -2.257 1.00 0.00 H new HETATM 0 HB2 DAL A 152 8.833 7.174 -3.955 1.00 0.00 H new HETATM 0 HB1 DAL A 152 8.588 8.361 -2.652 1.00 0.00 H new HETATM 0 HA DAL A 152 6.479 7.830 -3.776 1.00 0.00 H new HETATM 0 H DAL A 152 7.384 5.118 -3.677 1.00 0.00 H new HETATM 134 N DLE A 151 5.106 8.149 -1.787 1.00 0.00 N HETATM 135 CA DLE A 151 4.342 8.477 -0.595 1.00 0.00 C HETATM 136 CB DLE A 151 3.180 7.498 -0.417 1.00 0.00 C HETATM 137 CG DLE A 151 3.563 6.025 -0.255 1.00 0.00 C HETATM 138 CD1 DLE A 151 3.003 5.183 -1.404 1.00 0.00 C HETATM 139 CD2 DLE A 151 3.127 5.492 1.111 1.00 0.00 C HETATM 140 C DLE A 151 3.907 9.942 -0.661 1.00 0.00 C HETATM 141 O DLE A 151 4.231 10.730 0.227 1.00 0.00 O HETATM 0 HD23 DLE A 151 3.613 6.068 1.898 1.00 0.00 H new HETATM 0 HD22 DLE A 151 2.045 5.584 1.209 1.00 0.00 H new HETATM 0 HD21 DLE A 151 3.411 4.443 1.200 1.00 0.00 H new HETATM 0 HD13 DLE A 151 1.916 5.262 -1.417 1.00 0.00 H new HETATM 0 HD12 DLE A 151 3.404 5.546 -2.350 1.00 0.00 H new HETATM 0 HD11 DLE A 151 3.290 4.141 -1.265 1.00 0.00 H new HETATM 0 HG DLE A 151 4.649 5.948 -0.299 1.00 0.00 H new HETATM 0 HB3 DLE A 151 2.606 7.802 0.458 1.00 0.00 H new HETATM 0 HB2 DLE A 151 2.519 7.588 -1.279 1.00 0.00 H new HETATM 0 HA DLE A 151 4.960 8.367 0.296 1.00 0.00 H new HETATM 153 N DSN A 150 3.180 10.263 -1.721 1.00 0.00 N HETATM 154 CA DSN A 150 2.697 11.620 -1.914 1.00 0.00 C HETATM 155 C DSN A 150 2.723 11.978 -3.401 1.00 0.00 C HETATM 156 O DSN A 150 1.822 11.605 -4.149 1.00 0.00 O HETATM 157 CB DSN A 150 1.283 11.786 -1.353 1.00 0.00 C HETATM 158 OG DSN A 150 0.897 10.680 -0.541 1.00 0.00 O HETATM 0 HG DSN A 150 -0.011 10.825 -0.201 1.00 0.00 H new HETATM 0 HB3 DSN A 150 1.232 12.703 -0.765 1.00 0.00 H new HETATM 0 HB2 DSN A 150 0.577 11.895 -2.176 1.00 0.00 H new HETATM 0 HA DSN A 150 3.356 12.298 -1.372 1.00 0.00 H new HETATM 0 H DSN A 150 3.472 9.707 -2.524 1.00 0.00 H new ATOM 164 N GLY A 149 3.767 12.699 -3.784 1.00 0.00 N ATOM 165 CA GLY A 149 3.923 13.112 -5.169 1.00 0.00 C ATOM 166 C GLY A 149 5.110 14.064 -5.326 1.00 0.00 C ATOM 167 O GLY A 149 4.929 15.244 -5.622 1.00 0.00 O ATOM 0 H GLY A 149 4.513 13.008 -3.160 1.00 0.00 H new ATOM 0 HA2 GLY A 149 4.070 12.235 -5.800 1.00 0.00 H new ATOM 0 HA3 GLY A 149 3.011 13.602 -5.511 1.00 0.00 H new HETATM 171 N DPN A 148 6.299 13.516 -5.121 1.00 0.00 N HETATM 172 CA DPN A 148 7.516 14.302 -5.237 1.00 0.00 C HETATM 173 C DPN A 148 8.723 13.524 -4.711 1.00 0.00 C HETATM 174 O DPN A 148 8.691 12.297 -4.636 1.00 0.00 O HETATM 175 CB DPN A 148 7.720 14.594 -6.725 1.00 0.00 C HETATM 176 CG DPN A 148 8.473 13.495 -7.477 1.00 0.00 C HETATM 177 CD1 DPN A 148 9.829 13.426 -7.401 1.00 0.00 C HETATM 178 CD2 DPN A 148 7.787 12.587 -8.221 1.00 0.00 C HETATM 179 CE1 DPN A 148 10.528 12.406 -8.099 1.00 0.00 C HETATM 180 CE2 DPN A 148 8.486 11.566 -8.918 1.00 0.00 C HETATM 181 CZ DPN A 148 9.842 11.497 -8.843 1.00 0.00 C HETATM 0 HZ DPN A 148 10.379 10.714 -9.379 1.00 0.00 H new HETATM 0 HE2 DPN A 148 7.935 10.838 -9.513 1.00 0.00 H new HETATM 0 HE1 DPN A 148 11.615 12.351 -8.039 1.00 0.00 H new HETATM 0 HD2 DPN A 148 6.700 12.643 -8.283 1.00 0.00 H new HETATM 0 HD1 DPN A 148 10.379 14.154 -6.804 1.00 0.00 H new HETATM 0 HB3 DPN A 148 6.746 14.739 -7.193 1.00 0.00 H new HETATM 0 HB2 DPN A 148 8.266 15.531 -6.829 1.00 0.00 H new HETATM 0 HA DPN A 148 7.425 15.217 -4.652 1.00 0.00 H new HETATM 0 H DPN A 148 6.335 12.576 -4.728 1.00 0.00 H new HETATM 191 N DAS A 147 9.761 14.270 -4.361 1.00 0.00 N HETATM 192 CA DAS A 147 10.977 13.665 -3.844 1.00 0.00 C HETATM 193 C DAS A 147 12.087 14.717 -3.804 1.00 0.00 C HETATM 194 O DAS A 147 12.643 14.998 -2.743 1.00 0.00 O HETATM 195 CB DAS A 147 10.770 13.141 -2.422 1.00 0.00 C HETATM 196 CG DAS A 147 9.376 12.580 -2.135 1.00 0.00 C HETATM 197 OD1 DAS A 147 9.163 11.358 -2.160 1.00 0.00 O HETATM 198 OD2 DAS A 147 8.475 13.465 -1.875 1.00 0.00 O HETATM 0 HD2 DAS A 147 7.618 13.020 -1.707 1.00 0.00 H new HETATM 0 HB3 DAS A 147 11.506 12.361 -2.228 1.00 0.00 H new HETATM 0 HB2 DAS A 147 10.971 13.950 -1.720 1.00 0.00 H new HETATM 0 HA DAS A 147 11.246 12.835 -4.498 1.00 0.00 H new HETATM 0 H DAS A 147 9.755 15.254 -4.628 1.00 0.00 H new ATOM 204 N GLY A 146 12.377 15.270 -4.973 1.00 0.00 N ATOM 205 CA GLY A 146 13.411 16.285 -5.084 1.00 0.00 C ATOM 206 C GLY A 146 12.798 17.683 -5.193 1.00 0.00 C ATOM 207 O GLY A 146 12.186 18.171 -4.244 1.00 0.00 O ATOM 0 H GLY A 146 11.914 15.034 -5.851 1.00 0.00 H new ATOM 0 HA2 GLY A 146 14.066 16.238 -4.214 1.00 0.00 H new ATOM 0 HA3 GLY A 146 14.029 16.086 -5.960 1.00 0.00 H new HETATM 211 N DAR A 145 12.984 18.287 -6.357 1.00 0.00 N HETATM 212 CA DAR A 145 12.457 19.618 -6.602 1.00 0.00 C HETATM 213 CB DAR A 145 10.928 19.603 -6.662 1.00 0.00 C HETATM 214 CG DAR A 145 10.431 18.658 -7.757 1.00 0.00 C HETATM 215 CD DAR A 145 10.008 17.311 -7.169 1.00 0.00 C HETATM 216 NE DAR A 145 9.096 17.523 -6.023 1.00 0.00 N HETATM 217 CZ DAR A 145 7.792 17.850 -6.144 1.00 0.00 C HETATM 218 NH1 DAR A 145 7.069 18.015 -5.052 1.00 0.00 N HETATM 219 NH2 DAR A 145 7.234 18.004 -7.364 1.00 0.00 N HETATM 220 C DAR A 145 13.006 20.173 -7.918 1.00 0.00 C HETATM 221 O DAR A 145 13.150 19.439 -8.893 1.00 0.00 O HETATM 0 HH22 DAR A 145 6.248 18.251 -7.446 1.00 0.00 H new HETATM 0 HH21 DAR A 145 7.799 17.873 -8.203 1.00 0.00 H new HETATM 0 HH12 DAR A 145 6.082 18.262 -5.126 1.00 0.00 H new HETATM 0 HH11 DAR A 145 7.497 17.895 -4.134 1.00 0.00 H new HETATM 0 HG3 DAR A 145 9.588 19.112 -8.279 1.00 0.00 H new HETATM 0 HG2 DAR A 145 11.218 18.505 -8.495 1.00 0.00 H new HETATM 0 HE DAR A 145 9.477 17.415 -5.083 1.00 0.00 H new HETATM 0 HD3 DAR A 145 9.513 16.711 -7.932 1.00 0.00 H new HETATM 0 HD2 DAR A 145 10.887 16.753 -6.846 1.00 0.00 H new HETATM 0 HB3 DAR A 145 10.526 19.292 -5.698 1.00 0.00 H new HETATM 0 HB2 DAR A 145 10.558 20.611 -6.851 1.00 0.00 H new HETATM 0 HA DAR A 145 12.771 20.256 -5.776 1.00 0.00 H new HETATM 234 N DVA A 144 13.298 21.466 -7.902 1.00 0.00 N HETATM 235 CA DVA A 144 13.829 22.128 -9.081 1.00 0.00 C HETATM 236 CB DVA A 144 15.357 22.162 -9.019 1.00 0.00 C HETATM 237 CG1 DVA A 144 15.933 23.016 -10.151 1.00 0.00 C HETATM 238 CG2 DVA A 144 15.939 20.748 -9.049 1.00 0.00 C HETATM 239 C DVA A 144 13.204 23.519 -9.205 1.00 0.00 C HETATM 240 O DVA A 144 13.373 24.360 -8.324 1.00 0.00 O HETATM 0 HG23 DVA A 144 15.567 20.183 -8.194 1.00 0.00 H new HETATM 0 HG22 DVA A 144 15.638 20.250 -9.971 1.00 0.00 H new HETATM 0 HG21 DVA A 144 17.027 20.801 -9.004 1.00 0.00 H new HETATM 0 HG13 DVA A 144 15.632 22.598 -11.112 1.00 0.00 H new HETATM 0 HG12 DVA A 144 15.557 24.036 -10.065 1.00 0.00 H new HETATM 0 HG11 DVA A 144 17.021 23.023 -10.084 1.00 0.00 H new HETATM 0 HB DVA A 144 15.643 22.622 -8.073 1.00 0.00 H new HETATM 0 HA DVA A 144 13.566 21.573 -9.981 1.00 0.00 H new ATOM 250 N GLY A 143 12.494 23.718 -10.306 1.00 0.00 N ATOM 251 CA GLY A 143 11.843 24.992 -10.556 1.00 0.00 C ATOM 252 C GLY A 143 10.323 24.827 -10.626 1.00 0.00 C ATOM 253 O GLY A 143 9.827 23.810 -11.107 1.00 0.00 O ATOM 0 H GLY A 143 12.356 23.018 -11.035 1.00 0.00 H new ATOM 0 HA2 GLY A 143 12.100 25.697 -9.765 1.00 0.00 H new ATOM 0 HA3 GLY A 143 12.210 25.415 -11.491 1.00 0.00 H new HETATM 257 N DSN A 142 9.627 25.843 -10.138 1.00 0.00 N HETATM 258 CA DSN A 142 8.174 25.824 -10.140 1.00 0.00 C HETATM 259 C DSN A 142 7.635 26.898 -9.193 1.00 0.00 C HETATM 260 O DSN A 142 7.789 28.091 -9.450 1.00 0.00 O HETATM 261 CB DSN A 142 7.621 26.034 -11.551 1.00 0.00 C HETATM 262 OG DSN A 142 8.307 25.242 -12.516 1.00 0.00 O HETATM 0 HG DSN A 142 8.625 24.416 -12.095 1.00 0.00 H new HETATM 0 HB3 DSN A 142 6.560 25.785 -11.565 1.00 0.00 H new HETATM 0 HB2 DSN A 142 7.705 27.087 -11.820 1.00 0.00 H new HETATM 0 HA DSN A 142 7.845 24.844 -9.793 1.00 0.00 H new HETATM 0 H DSN A 142 10.127 26.514 -9.555 1.00 0.00 H new ATOM 268 N GLY A 141 7.015 26.436 -8.117 1.00 0.00 N ATOM 269 CA GLY A 141 6.452 27.343 -7.131 1.00 0.00 C ATOM 270 C GLY A 141 6.079 26.595 -5.849 1.00 0.00 C ATOM 271 O GLY A 141 6.945 26.037 -5.177 1.00 0.00 O ATOM 0 H GLY A 141 6.890 25.446 -7.906 1.00 0.00 H new ATOM 0 HA2 GLY A 141 7.172 28.129 -6.902 1.00 0.00 H new ATOM 0 HA3 GLY A 141 5.568 27.830 -7.542 1.00 0.00 H new HETATM 275 N NH2 A 140 4.788 26.609 -5.549 1.00 0.00 N TER 278 NH2 A 140