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 H : 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= 0.0547! USER MOD Single : A 147 DAS OD2 : rot 180:sc= 0 USER MOD Single : A 150 DSN OG : rot 180:sc= 0 USER MOD Single : A 159 LML OXT : rot 170:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 C1 LML A 159 -4.982 2.169 0.587 1.00 0.00 C HETATM 2 O1 LML A 159 -5.434 3.245 1.158 1.00 0.00 O HETATM 3 OXT LML A 159 -5.805 1.227 0.231 1.00 0.00 O HETATM 4 CA LML A 159 -3.511 2.012 0.339 1.00 0.00 C HETATM 5 CB LML A 159 -2.580 3.219 0.474 1.00 0.00 C HETATM 6 CG LML A 159 -2.951 4.448 -0.358 1.00 0.00 C HETATM 7 CD1 LML A 159 -3.302 5.635 0.542 1.00 0.00 C HETATM 8 CD2 LML A 159 -1.842 4.793 -1.354 1.00 0.00 C HETATM 9 C LML A 159 -3.169 0.863 1.290 1.00 0.00 C HETATM 10 O LML A 159 -3.870 0.636 2.274 1.00 0.00 O HETATM 0 HD23 LML A 159 -0.920 5.004 -0.813 1.00 0.00 H new HETATM 0 HD22 LML A 159 -1.683 3.951 -2.028 1.00 0.00 H new HETATM 0 HD21 LML A 159 -2.132 5.670 -1.932 1.00 0.00 H new HETATM 0 HD13 LML A 159 -4.150 5.373 1.175 1.00 0.00 H new HETATM 0 HD12 LML A 159 -2.445 5.883 1.168 1.00 0.00 H new HETATM 0 HD11 LML A 159 -3.562 6.495 -0.075 1.00 0.00 H new HETATM 0 HXT LML A 159 -5.331 0.570 -0.321 1.00 0.00 H new HETATM 0 HG LML A 159 -3.842 4.209 -0.939 1.00 0.00 H new HETATM 0 HB2 LML A 159 -2.547 3.512 1.523 1.00 0.00 H new HETATM 0 HB1 LML A 159 -1.572 2.908 0.198 1.00 0.00 H new HETATM 0 HA LML A 159 -3.331 1.839 -0.722 1.00 0.00 H new HETATM 21 N DGN A 158 -2.089 0.168 0.961 1.00 0.00 N HETATM 22 CA DGN A 158 -1.644 -0.952 1.772 1.00 0.00 C HETATM 23 C DGN A 158 -2.022 -2.275 1.103 1.00 0.00 C HETATM 24 O DGN A 158 -2.121 -3.305 1.768 1.00 0.00 O HETATM 25 CB DGN A 158 -0.138 -0.878 2.031 1.00 0.00 C HETATM 26 CG DGN A 158 0.400 -2.222 2.526 1.00 0.00 C HETATM 27 CD DGN A 158 -0.238 -2.609 3.863 1.00 0.00 C HETATM 28 OE1 DGN A 158 -0.970 -3.578 3.973 1.00 0.00 O HETATM 29 NE2 DGN A 158 0.082 -1.799 4.869 1.00 0.00 N HETATM 0 HE22 DGN A 158 -0.293 -1.972 5.802 1.00 0.00 H new HETATM 0 HE21 DGN A 158 0.702 -1.005 4.707 1.00 0.00 H new HETATM 0 HG3 DGN A 158 0.196 -2.995 1.785 1.00 0.00 H new HETATM 0 HG2 DGN A 158 1.483 -2.165 2.638 1.00 0.00 H new HETATM 0 HB3 DGN A 158 0.378 -0.591 1.115 1.00 0.00 H new HETATM 0 HB2 DGN A 158 0.070 -0.104 2.770 1.00 0.00 H new HETATM 0 HA DGN A 158 -2.147 -0.899 2.737 1.00 0.00 H new HETATM 38 N DAR A 157 -2.221 -2.204 -0.205 1.00 0.00 N HETATM 39 CA DAR A 157 -2.585 -3.383 -0.972 1.00 0.00 C HETATM 40 CB DAR A 157 -1.416 -4.367 -1.058 1.00 0.00 C HETATM 41 CG DAR A 157 -1.733 -5.512 -2.021 1.00 0.00 C HETATM 42 CD DAR A 157 -2.745 -6.481 -1.407 1.00 0.00 C HETATM 43 NE DAR A 157 -2.126 -7.211 -0.278 1.00 0.00 N HETATM 44 CZ DAR A 157 -1.143 -8.126 -0.416 1.00 0.00 C HETATM 45 NH1 DAR A 157 -0.663 -8.717 0.662 1.00 0.00 N HETATM 46 NH2 DAR A 157 -0.657 -8.430 -1.639 1.00 0.00 N HETATM 47 C DAR A 157 -3.013 -2.986 -2.386 1.00 0.00 C HETATM 48 O DAR A 157 -4.202 -2.829 -2.658 1.00 0.00 O HETATM 0 HH22 DAR A 157 0.086 -9.122 -1.735 1.00 0.00 H new HETATM 0 HH21 DAR A 157 -1.033 -7.967 -2.467 1.00 0.00 H new HETATM 0 HH12 DAR A 157 0.080 -9.411 0.575 1.00 0.00 H new HETATM 0 HH11 DAR A 157 -1.035 -8.480 1.582 1.00 0.00 H new HETATM 0 HG3 DAR A 157 -2.129 -5.109 -2.953 1.00 0.00 H new HETATM 0 HG2 DAR A 157 -0.816 -6.047 -2.270 1.00 0.00 H new HETATM 0 HE DAR A 157 -2.463 -7.010 0.663 1.00 0.00 H new HETATM 0 HD3 DAR A 157 -3.621 -5.933 -1.060 1.00 0.00 H new HETATM 0 HD2 DAR A 157 -3.089 -7.187 -2.162 1.00 0.00 H new HETATM 0 HB3 DAR A 157 -0.520 -3.844 -1.392 1.00 0.00 H new HETATM 0 HB2 DAR A 157 -1.201 -4.769 -0.068 1.00 0.00 H new HETATM 0 HA DAR A 157 -3.416 -3.867 -0.460 1.00 0.00 H new HETATM 61 N DAL A 156 -2.019 -2.834 -3.250 1.00 0.00 N HETATM 62 CA DAL A 156 -2.278 -2.457 -4.629 1.00 0.00 C HETATM 63 CB DAL A 156 -2.734 -3.687 -5.417 1.00 0.00 C HETATM 64 C DAL A 156 -1.022 -1.817 -5.223 1.00 0.00 C HETATM 65 O DAL A 156 -0.383 -2.393 -6.102 1.00 0.00 O HETATM 0 HB3 DAL A 156 -1.953 -4.447 -5.389 1.00 0.00 H new HETATM 0 HB2 DAL A 156 -3.646 -4.087 -4.972 1.00 0.00 H new HETATM 0 HB1 DAL A 156 -2.928 -3.405 -6.452 1.00 0.00 H new HETATM 0 HA DAL A 156 -3.079 -1.720 -4.681 1.00 0.00 H new HETATM 71 N DVA A 155 -0.704 -0.634 -4.718 1.00 0.00 N HETATM 72 CA DVA A 155 0.464 0.091 -5.187 1.00 0.00 C HETATM 73 CB DVA A 155 1.737 -0.677 -4.824 1.00 0.00 C HETATM 74 CG1 DVA A 155 2.068 -0.519 -3.339 1.00 0.00 C HETATM 75 CG2 DVA A 155 2.912 -0.234 -5.698 1.00 0.00 C HETATM 76 C DVA A 155 0.440 1.511 -4.619 1.00 0.00 C HETATM 77 O DVA A 155 -0.495 1.886 -3.913 1.00 0.00 O HETATM 0 HG23 DVA A 155 2.677 -0.422 -6.746 1.00 0.00 H new HETATM 0 HG22 DVA A 155 3.093 0.831 -5.552 1.00 0.00 H new HETATM 0 HG21 DVA A 155 3.804 -0.795 -5.420 1.00 0.00 H new HETATM 0 HG13 DVA A 155 2.219 0.536 -3.110 1.00 0.00 H new HETATM 0 HG12 DVA A 155 1.244 -0.906 -2.739 1.00 0.00 H new HETATM 0 HG11 DVA A 155 2.977 -1.075 -3.108 1.00 0.00 H new HETATM 0 HB DVA A 155 1.557 -1.735 -5.016 1.00 0.00 H new HETATM 0 HA DVA A 155 0.450 0.176 -6.274 1.00 0.00 H new HETATM 87 N DAR A 154 1.480 2.263 -4.947 1.00 0.00 N HETATM 88 CA DAR A 154 1.591 3.634 -4.478 1.00 0.00 C HETATM 89 CB DAR A 154 0.526 4.524 -5.123 1.00 0.00 C HETATM 90 CG DAR A 154 0.643 4.502 -6.649 1.00 0.00 C HETATM 91 CD DAR A 154 -0.381 3.546 -7.263 1.00 0.00 C HETATM 92 NE DAR A 154 -1.727 3.824 -6.714 1.00 0.00 N HETATM 93 CZ DAR A 154 -2.766 2.966 -6.786 1.00 0.00 C HETATM 94 NH1 DAR A 154 -3.925 3.318 -6.261 1.00 0.00 N HETATM 95 NH2 DAR A 154 -2.623 1.765 -7.387 1.00 0.00 N HETATM 96 C DAR A 154 2.977 4.195 -4.799 1.00 0.00 C HETATM 97 O DAR A 154 3.105 5.130 -5.589 1.00 0.00 O HETATM 0 HH22 DAR A 154 -3.414 1.122 -7.437 1.00 0.00 H new HETATM 0 HH21 DAR A 154 -1.724 1.501 -7.791 1.00 0.00 H new HETATM 0 HH12 DAR A 154 -4.720 2.681 -6.307 1.00 0.00 H new HETATM 0 HH11 DAR A 154 -4.025 4.227 -5.809 1.00 0.00 H new HETATM 0 HG3 DAR A 154 0.490 5.507 -7.044 1.00 0.00 H new HETATM 0 HG2 DAR A 154 1.649 4.196 -6.936 1.00 0.00 H new HETATM 0 HE DAR A 154 -1.879 4.721 -6.252 1.00 0.00 H new HETATM 0 HD3 DAR A 154 -0.391 3.659 -8.347 1.00 0.00 H new HETATM 0 HD2 DAR A 154 -0.099 2.514 -7.052 1.00 0.00 H new HETATM 0 HB3 DAR A 154 -0.466 4.184 -4.826 1.00 0.00 H new HETATM 0 HB2 DAR A 154 0.634 5.547 -4.761 1.00 0.00 H new HETATM 0 HA DAR A 154 1.439 3.628 -3.399 1.00 0.00 H new HETATM 110 N DPR A 153 4.008 3.586 -4.154 1.00 0.00 N HETATM 111 CA DPR A 153 5.380 4.014 -4.363 1.00 0.00 C HETATM 112 CB DPR A 153 6.233 2.864 -3.855 1.00 0.00 C HETATM 113 CG DPR A 153 5.326 2.036 -2.959 1.00 0.00 C HETATM 114 CD DPR A 153 3.894 2.476 -3.212 1.00 0.00 C HETATM 115 C DPR A 153 5.660 5.332 -3.637 1.00 0.00 C HETATM 116 O DPR A 153 4.778 5.881 -2.978 1.00 0.00 O HETATM 0 HG3 DPR A 153 5.443 0.974 -3.175 1.00 0.00 H new HETATM 0 HG2 DPR A 153 5.590 2.180 -1.911 1.00 0.00 H new HETATM 0 HD3 DPR A 153 3.407 2.789 -2.288 1.00 0.00 H new HETATM 0 HD2 DPR A 153 3.298 1.664 -3.628 1.00 0.00 H new HETATM 0 HB3 DPR A 153 6.616 2.266 -4.682 1.00 0.00 H new HETATM 0 HB2 DPR A 153 7.097 3.233 -3.302 1.00 0.00 H new HETATM 0 HA DPR A 153 5.600 4.223 -5.410 1.00 0.00 H new HETATM 124 N DAL A 152 6.890 5.801 -3.782 1.00 0.00 N HETATM 125 CA DAL A 152 7.297 7.044 -3.148 1.00 0.00 C HETATM 126 CB DAL A 152 8.784 6.976 -2.798 1.00 0.00 C HETATM 127 C DAL A 152 6.419 7.296 -1.920 1.00 0.00 C HETATM 128 O DAL A 152 6.702 6.789 -0.836 1.00 0.00 O HETATM 0 HB3 DAL A 152 8.959 6.146 -2.114 1.00 0.00 H new HETATM 0 HB2 DAL A 152 9.365 6.826 -3.708 1.00 0.00 H new HETATM 0 HB1 DAL A 152 9.089 7.908 -2.323 1.00 0.00 H new HETATM 0 HA DAL A 152 7.161 7.885 -3.829 1.00 0.00 H new HETATM 0 H DAL A 152 7.571 5.055 -3.927 1.00 0.00 H new HETATM 134 N DLE A 151 5.372 8.079 -2.132 1.00 0.00 N HETATM 135 CA DLE A 151 4.451 8.405 -1.056 1.00 0.00 C HETATM 136 CB DLE A 151 3.236 7.475 -1.091 1.00 0.00 C HETATM 137 CG DLE A 151 2.166 7.809 -2.132 1.00 0.00 C HETATM 138 CD1 DLE A 151 1.163 6.663 -2.273 1.00 0.00 C HETATM 139 CD2 DLE A 151 2.803 8.182 -3.472 1.00 0.00 C HETATM 140 C DLE A 151 4.091 9.890 -1.130 1.00 0.00 C HETATM 141 O DLE A 151 4.699 10.642 -1.891 1.00 0.00 O HETATM 0 HD23 DLE A 151 3.446 9.052 -3.340 1.00 0.00 H new HETATM 0 HD22 DLE A 151 3.397 7.345 -3.838 1.00 0.00 H new HETATM 0 HD21 DLE A 151 2.021 8.415 -4.194 1.00 0.00 H new HETATM 0 HD13 DLE A 151 1.685 5.759 -2.586 1.00 0.00 H new HETATM 0 HD12 DLE A 151 0.675 6.487 -1.314 1.00 0.00 H new HETATM 0 HD11 DLE A 151 0.413 6.926 -3.019 1.00 0.00 H new HETATM 0 HG DLE A 151 1.612 8.681 -1.785 1.00 0.00 H new HETATM 0 HB3 DLE A 151 3.586 6.459 -1.272 1.00 0.00 H new HETATM 0 HB2 DLE A 151 2.770 7.481 -0.106 1.00 0.00 H new HETATM 0 HA DLE A 151 4.923 8.239 -0.088 1.00 0.00 H new HETATM 153 N DSN A 150 3.105 10.268 -0.330 1.00 0.00 N HETATM 154 CA DSN A 150 2.657 11.650 -0.296 1.00 0.00 C HETATM 155 C DSN A 150 2.710 12.252 -1.701 1.00 0.00 C HETATM 156 O DSN A 150 1.898 11.909 -2.559 1.00 0.00 O HETATM 157 CB DSN A 150 1.241 11.756 0.274 1.00 0.00 C HETATM 158 OG DSN A 150 0.810 10.532 0.864 1.00 0.00 O HETATM 0 HG DSN A 150 -0.097 10.641 1.218 1.00 0.00 H new HETATM 0 HB3 DSN A 150 1.209 12.549 1.021 1.00 0.00 H new HETATM 0 HB2 DSN A 150 0.550 12.038 -0.521 1.00 0.00 H new HETATM 0 HA DSN A 150 3.326 12.210 0.358 1.00 0.00 H new HETATM 0 H2 DSN A 150 3.131 9.719 0.529 1.00 0.00 H new ATOM 164 N GLY A 149 3.674 13.141 -1.894 1.00 0.00 N ATOM 165 CA GLY A 149 3.843 13.794 -3.181 1.00 0.00 C ATOM 166 C GLY A 149 5.033 14.755 -3.155 1.00 0.00 C ATOM 167 O GLY A 149 5.992 14.581 -3.905 1.00 0.00 O ATOM 0 H GLY A 149 4.346 13.424 -1.181 1.00 0.00 H new ATOM 0 HA2 GLY A 149 3.994 13.043 -3.957 1.00 0.00 H new ATOM 0 HA3 GLY A 149 2.935 14.340 -3.438 1.00 0.00 H new HETATM 171 N DPN A 148 4.932 15.749 -2.285 1.00 0.00 N HETATM 172 CA DPN A 148 5.988 16.738 -2.152 1.00 0.00 C HETATM 173 C DPN A 148 5.471 18.002 -1.460 1.00 0.00 C HETATM 174 O DPN A 148 4.679 17.921 -0.523 1.00 0.00 O HETATM 175 CB DPN A 148 7.083 16.110 -1.288 1.00 0.00 C HETATM 176 CG DPN A 148 7.242 14.601 -1.485 1.00 0.00 C HETATM 177 CD1 DPN A 148 8.067 14.125 -2.456 1.00 0.00 C HETATM 178 CD2 DPN A 148 6.558 13.735 -0.689 1.00 0.00 C HETATM 179 CE1 DPN A 148 8.215 12.725 -2.639 1.00 0.00 C HETATM 180 CE2 DPN A 148 6.706 12.335 -0.872 1.00 0.00 C HETATM 181 CZ DPN A 148 7.532 11.859 -1.843 1.00 0.00 C HETATM 0 HZ DPN A 148 7.646 10.784 -1.983 1.00 0.00 H new HETATM 0 HE2 DPN A 148 6.158 11.641 -0.235 1.00 0.00 H new HETATM 0 HE1 DPN A 148 8.876 12.344 -3.417 1.00 0.00 H new HETATM 0 HD2 DPN A 148 5.897 14.116 0.089 1.00 0.00 H new HETATM 0 HD1 DPN A 148 8.615 14.819 -3.094 1.00 0.00 H new HETATM 0 HB3 DPN A 148 8.032 16.597 -1.511 1.00 0.00 H new HETATM 0 HB2 DPN A 148 6.862 16.308 -0.239 1.00 0.00 H new HETATM 0 HA DPN A 148 6.359 17.021 -3.137 1.00 0.00 H new HETATM 0 H DPN A 148 3.996 15.952 -1.935 1.00 0.00 H new HETATM 191 N DAS A 147 5.941 19.140 -1.950 1.00 0.00 N HETATM 192 CA DAS A 147 5.537 20.418 -1.391 1.00 0.00 C HETATM 193 C DAS A 147 6.505 21.505 -1.864 1.00 0.00 C HETATM 194 O DAS A 147 6.126 22.386 -2.634 1.00 0.00 O HETATM 195 CB DAS A 147 4.131 20.803 -1.856 1.00 0.00 C HETATM 196 CG DAS A 147 3.137 19.643 -1.937 1.00 0.00 C HETATM 197 OD1 DAS A 147 2.437 19.332 -0.962 1.00 0.00 O HETATM 198 OD2 DAS A 147 3.096 19.038 -3.076 1.00 0.00 O HETATM 0 HD2 DAS A 147 2.438 18.313 -3.038 1.00 0.00 H new HETATM 0 HB3 DAS A 147 3.733 21.556 -1.176 1.00 0.00 H new HETATM 0 HB2 DAS A 147 4.204 21.268 -2.839 1.00 0.00 H new HETATM 0 HA DAS A 147 5.546 20.329 -0.305 1.00 0.00 H new HETATM 0 H DAS A 147 6.761 19.084 -2.554 1.00 0.00 H new ATOM 204 N GLY A 146 7.735 21.407 -1.382 1.00 0.00 N ATOM 205 CA GLY A 146 8.760 22.371 -1.745 1.00 0.00 C ATOM 206 C GLY A 146 9.278 23.113 -0.511 1.00 0.00 C ATOM 207 O GLY A 146 10.435 22.953 -0.127 1.00 0.00 O ATOM 0 H GLY A 146 8.045 20.675 -0.743 1.00 0.00 H new ATOM 0 HA2 GLY A 146 9.586 21.860 -2.239 1.00 0.00 H new ATOM 0 HA3 GLY A 146 8.354 23.087 -2.460 1.00 0.00 H new HETATM 211 N DAR A 145 8.395 23.907 0.076 1.00 0.00 N HETATM 212 CA DAR A 145 8.748 24.674 1.259 1.00 0.00 C HETATM 213 CB DAR A 145 8.976 23.756 2.462 1.00 0.00 C HETATM 214 CG DAR A 145 7.728 22.921 2.758 1.00 0.00 C HETATM 215 CD DAR A 145 7.864 21.510 2.182 1.00 0.00 C HETATM 216 NE DAR A 145 9.159 20.920 2.586 1.00 0.00 N HETATM 217 CZ DAR A 145 9.643 19.754 2.107 1.00 0.00 C HETATM 218 NH1 DAR A 145 10.813 19.321 2.538 1.00 0.00 N HETATM 219 NH2 DAR A 145 8.940 19.042 1.201 1.00 0.00 N HETATM 220 C DAR A 145 7.641 25.676 1.592 1.00 0.00 C HETATM 221 O DAR A 145 6.458 25.367 1.456 1.00 0.00 O HETATM 0 HH22 DAR A 145 9.312 18.162 0.844 1.00 0.00 H new HETATM 0 HH21 DAR A 145 8.037 19.384 0.874 1.00 0.00 H new HETATM 0 HH12 DAR A 145 11.193 18.442 2.186 1.00 0.00 H new HETATM 0 HH11 DAR A 145 11.337 19.865 3.223 1.00 0.00 H new HETATM 0 HG3 DAR A 145 7.571 22.865 3.835 1.00 0.00 H new HETATM 0 HG2 DAR A 145 6.851 23.408 2.333 1.00 0.00 H new HETATM 0 HE DAR A 145 9.722 21.426 3.270 1.00 0.00 H new HETATM 0 HD3 DAR A 145 7.044 20.884 2.535 1.00 0.00 H new HETATM 0 HD2 DAR A 145 7.794 21.544 1.095 1.00 0.00 H new HETATM 0 HB3 DAR A 145 9.821 23.096 2.266 1.00 0.00 H new HETATM 0 HB2 DAR A 145 9.234 24.353 3.336 1.00 0.00 H new HETATM 0 HA DAR A 145 9.673 25.209 1.044 1.00 0.00 H new HETATM 234 N DVA A 144 8.064 26.855 2.023 1.00 0.00 N HETATM 235 CA DVA A 144 7.123 27.904 2.377 1.00 0.00 C HETATM 236 CB DVA A 144 7.211 29.049 1.366 1.00 0.00 C HETATM 237 CG1 DVA A 144 6.392 30.255 1.830 1.00 0.00 C HETATM 238 CG2 DVA A 144 6.769 28.589 -0.024 1.00 0.00 C HETATM 239 C DVA A 144 7.386 28.355 3.815 1.00 0.00 C HETATM 240 O DVA A 144 7.987 29.404 4.041 1.00 0.00 O HETATM 0 HG23 DVA A 144 7.413 27.776 -0.360 1.00 0.00 H new HETATM 0 HG22 DVA A 144 5.737 28.240 0.019 1.00 0.00 H new HETATM 0 HG21 DVA A 144 6.841 29.422 -0.723 1.00 0.00 H new HETATM 0 HG13 DVA A 144 5.347 29.965 1.939 1.00 0.00 H new HETATM 0 HG12 DVA A 144 6.773 30.606 2.789 1.00 0.00 H new HETATM 0 HG11 DVA A 144 6.472 31.054 1.093 1.00 0.00 H new HETATM 0 HB DVA A 144 8.254 29.358 1.301 1.00 0.00 H new HETATM 0 HA DVA A 144 6.100 27.529 2.336 1.00 0.00 H new ATOM 250 N GLY A 143 6.923 27.539 4.751 1.00 0.00 N ATOM 251 CA GLY A 143 7.100 27.841 6.161 1.00 0.00 C ATOM 252 C GLY A 143 6.874 26.596 7.021 1.00 0.00 C ATOM 253 O GLY A 143 5.771 26.054 7.057 1.00 0.00 O ATOM 0 H GLY A 143 6.426 26.669 4.560 1.00 0.00 H new ATOM 0 HA2 GLY A 143 8.105 28.227 6.331 1.00 0.00 H new ATOM 0 HA3 GLY A 143 6.403 28.625 6.459 1.00 0.00 H new HETATM 257 N DSN A 142 7.937 26.179 7.693 1.00 0.00 N HETATM 258 CA DSN A 142 7.869 25.008 8.550 1.00 0.00 C HETATM 259 C DSN A 142 9.280 24.520 8.883 1.00 0.00 C HETATM 260 O DSN A 142 10.228 25.305 8.887 1.00 0.00 O HETATM 261 CB DSN A 142 7.095 25.310 9.834 1.00 0.00 C HETATM 262 OG DSN A 142 5.895 26.033 9.577 1.00 0.00 O HETATM 0 HG DSN A 142 5.548 25.787 8.694 1.00 0.00 H new HETATM 0 HB3 DSN A 142 6.854 24.375 10.340 1.00 0.00 H new HETATM 0 HB2 DSN A 142 7.727 25.885 10.511 1.00 0.00 H new HETATM 0 HA DSN A 142 7.337 24.222 8.014 1.00 0.00 H new HETATM 0 H DSN A 142 8.843 26.550 7.407 1.00 0.00 H new ATOM 268 N GLY A 141 9.376 23.227 9.155 1.00 0.00 N ATOM 269 CA GLY A 141 10.656 22.625 9.489 1.00 0.00 C ATOM 270 C GLY A 141 10.650 21.124 9.193 1.00 0.00 C ATOM 271 O GLY A 141 10.972 20.705 8.083 1.00 0.00 O ATOM 0 H GLY A 141 8.588 22.579 9.151 1.00 0.00 H new ATOM 0 HA2 GLY A 141 11.449 23.109 8.919 1.00 0.00 H new ATOM 0 HA3 GLY A 141 10.876 22.790 10.544 1.00 0.00 H new HETATM 275 N NH2 A 140 10.280 20.355 10.207 1.00 0.00 N TER 278 NH2 A 140