USER MOD reduce.3.24.130724 H: found=0, std=0, add=134, 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 H : 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 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 41:sc= 0.463 USER MOD Single : A 147 DAS OD2 : rot 149:sc= 1.18 USER MOD Single : A 150 DSN OG : rot 180:sc= -0.127 USER MOD Single : A 159 LML OXT : rot -116:sc= 0.807 USER MOD ----------------------------------------------------------------- HETATM 1 C1 LML A 159 -3.936 2.568 3.982 1.00 0.00 C HETATM 2 O1 LML A 159 -3.915 3.654 4.694 1.00 0.00 O HETATM 3 OXT LML A 159 -4.308 1.445 4.520 1.00 0.00 O HETATM 4 CA LML A 159 -3.529 2.610 2.539 1.00 0.00 C HETATM 5 CB LML A 159 -2.851 3.858 1.971 1.00 0.00 C HETATM 6 CG LML A 159 -3.386 5.200 2.477 1.00 0.00 C HETATM 7 CD1 LML A 159 -2.411 5.841 3.466 1.00 0.00 C HETATM 8 CD2 LML A 159 -3.715 6.134 1.310 1.00 0.00 C HETATM 9 C LML A 159 -2.674 1.345 2.433 1.00 0.00 C HETATM 10 O LML A 159 -2.135 0.869 3.431 1.00 0.00 O HETATM 0 HD23 LML A 159 -2.814 6.316 0.724 1.00 0.00 H new HETATM 0 HD22 LML A 159 -4.473 5.672 0.677 1.00 0.00 H new HETATM 0 HD21 LML A 159 -4.093 7.080 1.697 1.00 0.00 H new HETATM 0 HD13 LML A 159 -2.269 5.177 4.319 1.00 0.00 H new HETATM 0 HD12 LML A 159 -1.453 6.010 2.975 1.00 0.00 H new HETATM 0 HD11 LML A 159 -2.815 6.793 3.810 1.00 0.00 H new HETATM 0 HXT LML A 159 -3.557 0.815 4.514 1.00 0.00 H new HETATM 0 HG LML A 159 -4.316 5.016 3.015 1.00 0.00 H new HETATM 0 HB2 LML A 159 -1.786 3.805 2.199 1.00 0.00 H new HETATM 0 HB1 LML A 159 -2.946 3.837 0.885 1.00 0.00 H new HETATM 0 HA LML A 159 -4.415 2.657 1.906 1.00 0.00 H new HETATM 21 N DGN A 158 -2.577 0.836 1.213 1.00 0.00 N HETATM 22 CA DGN A 158 -1.798 -0.364 0.962 1.00 0.00 C HETATM 23 C DGN A 158 -2.655 -1.416 0.257 1.00 0.00 C HETATM 24 O DGN A 158 -3.878 -1.415 0.388 1.00 0.00 O HETATM 25 CB DGN A 158 -0.543 -0.043 0.147 1.00 0.00 C HETATM 26 CG DGN A 158 0.158 1.205 0.688 1.00 0.00 C HETATM 27 CD DGN A 158 0.130 1.229 2.218 1.00 0.00 C HETATM 28 OE1 DGN A 158 -0.228 2.214 2.842 1.00 0.00 O HETATM 29 NE2 DGN A 158 0.527 0.093 2.784 1.00 0.00 N HETATM 0 HE22 DGN A 158 0.544 0.008 3.800 1.00 0.00 H new HETATM 0 HE21 DGN A 158 0.814 -0.694 2.202 1.00 0.00 H new HETATM 0 HG3 DGN A 158 1.190 1.227 0.339 1.00 0.00 H new HETATM 0 HG2 DGN A 158 -0.329 2.098 0.298 1.00 0.00 H new HETATM 0 HB3 DGN A 158 0.141 -0.891 0.177 1.00 0.00 H new HETATM 0 HB2 DGN A 158 -0.813 0.111 -0.898 1.00 0.00 H new HETATM 0 HA DGN A 158 -1.475 -0.770 1.920 1.00 0.00 H new HETATM 38 N DAR A 157 -1.980 -2.289 -0.476 1.00 0.00 N HETATM 39 CA DAR A 157 -2.665 -3.345 -1.202 1.00 0.00 C HETATM 40 CB DAR A 157 -1.853 -4.641 -1.187 1.00 0.00 C HETATM 41 CG DAR A 157 -2.470 -5.687 -2.118 1.00 0.00 C HETATM 42 CD DAR A 157 -3.828 -6.157 -1.590 1.00 0.00 C HETATM 43 NE DAR A 157 -3.676 -6.716 -0.229 1.00 0.00 N HETATM 44 CZ DAR A 157 -4.664 -6.752 0.690 1.00 0.00 C HETATM 45 NH1 DAR A 157 -4.417 -7.275 1.876 1.00 0.00 N HETATM 46 NH2 DAR A 157 -5.887 -6.260 0.399 1.00 0.00 N HETATM 47 C DAR A 157 -2.908 -2.921 -2.652 1.00 0.00 C HETATM 48 O DAR A 157 -3.990 -2.445 -2.991 1.00 0.00 O HETATM 0 HH22 DAR A 157 -6.629 -6.291 1.099 1.00 0.00 H new HETATM 0 HH21 DAR A 157 -6.069 -5.858 -0.520 1.00 0.00 H new HETATM 0 HH12 DAR A 157 -5.153 -7.310 2.581 1.00 0.00 H new HETATM 0 HH11 DAR A 157 -3.490 -7.645 2.087 1.00 0.00 H new HETATM 0 HG3 DAR A 157 -2.590 -5.266 -3.116 1.00 0.00 H new HETATM 0 HG2 DAR A 157 -1.797 -6.539 -2.211 1.00 0.00 H new HETATM 0 HE DAR A 157 -2.767 -7.098 0.032 1.00 0.00 H new HETATM 0 HD3 DAR A 157 -4.529 -5.323 -1.573 1.00 0.00 H new HETATM 0 HD2 DAR A 157 -4.246 -6.911 -2.257 1.00 0.00 H new HETATM 0 HB3 DAR A 157 -0.828 -4.435 -1.495 1.00 0.00 H new HETATM 0 HB2 DAR A 157 -1.808 -5.034 -0.171 1.00 0.00 H new HETATM 0 HA DAR A 157 -3.619 -3.522 -0.706 1.00 0.00 H new HETATM 0 H DAR A 157 -1.076 -2.473 -0.041 1.00 0.00 H new HETATM 61 N DAL A 156 -1.882 -3.109 -3.470 1.00 0.00 N HETATM 62 CA DAL A 156 -1.970 -2.751 -4.875 1.00 0.00 C HETATM 63 CB DAL A 156 -2.405 -3.974 -5.687 1.00 0.00 C HETATM 64 C DAL A 156 -0.624 -2.191 -5.340 1.00 0.00 C HETATM 65 O DAL A 156 0.064 -2.812 -6.148 1.00 0.00 O HETATM 0 HB3 DAL A 156 -1.674 -4.773 -5.561 1.00 0.00 H new HETATM 0 HB2 DAL A 156 -3.380 -4.315 -5.337 1.00 0.00 H new HETATM 0 HB1 DAL A 156 -2.471 -3.706 -6.741 1.00 0.00 H new HETATM 0 HA DAL A 156 -2.720 -1.975 -5.027 1.00 0.00 H new HETATM 71 N DVA A 155 -0.290 -1.024 -4.809 1.00 0.00 N HETATM 72 CA DVA A 155 0.961 -0.374 -5.160 1.00 0.00 C HETATM 73 CB DVA A 155 2.101 -0.941 -4.312 1.00 0.00 C HETATM 74 CG1 DVA A 155 3.453 -0.719 -4.992 1.00 0.00 C HETATM 75 CG2 DVA A 155 1.876 -2.424 -4.011 1.00 0.00 C HETATM 76 C DVA A 155 0.802 1.141 -5.011 1.00 0.00 C HETATM 77 O DVA A 155 -0.175 1.612 -4.432 1.00 0.00 O HETATM 0 HG23 DVA A 155 0.941 -2.547 -3.465 1.00 0.00 H new HETATM 0 HG22 DVA A 155 1.826 -2.982 -4.946 1.00 0.00 H new HETATM 0 HG21 DVA A 155 2.701 -2.802 -3.407 1.00 0.00 H new HETATM 0 HG13 DVA A 155 3.458 -1.216 -5.962 1.00 0.00 H new HETATM 0 HG12 DVA A 155 3.619 0.349 -5.131 1.00 0.00 H new HETATM 0 HG11 DVA A 155 4.246 -1.131 -4.368 1.00 0.00 H new HETATM 0 HB DVA A 155 2.111 -0.405 -3.363 1.00 0.00 H new HETATM 0 HA DVA A 155 1.217 -0.574 -6.200 1.00 0.00 H new HETATM 87 N DAR A 154 1.778 1.861 -5.545 1.00 0.00 N HETATM 88 CA DAR A 154 1.759 3.312 -5.479 1.00 0.00 C HETATM 89 CB DAR A 154 1.034 3.909 -6.688 1.00 0.00 C HETATM 90 CG DAR A 154 -0.184 3.064 -7.068 1.00 0.00 C HETATM 91 CD DAR A 154 -1.327 3.272 -6.073 1.00 0.00 C HETATM 92 NE DAR A 154 -2.113 2.024 -5.938 1.00 0.00 N HETATM 93 CZ DAR A 154 -3.370 1.971 -5.449 1.00 0.00 C HETATM 94 NH1 DAR A 154 -3.978 0.802 -5.373 1.00 0.00 N HETATM 95 NH2 DAR A 154 -3.996 3.096 -5.044 1.00 0.00 N HETATM 96 C DAR A 154 3.187 3.860 -5.428 1.00 0.00 C HETATM 97 O DAR A 154 3.607 4.592 -6.323 1.00 0.00 O HETATM 0 HH22 DAR A 154 -4.946 3.047 -4.676 1.00 0.00 H new HETATM 0 HH21 DAR A 154 -3.519 3.996 -5.106 1.00 0.00 H new HETATM 0 HH12 DAR A 154 -4.928 0.744 -5.006 1.00 0.00 H new HETATM 0 HH11 DAR A 154 -3.498 -0.044 -5.681 1.00 0.00 H new HETATM 0 HG3 DAR A 154 -0.517 3.330 -8.071 1.00 0.00 H new HETATM 0 HG2 DAR A 154 0.094 2.010 -7.094 1.00 0.00 H new HETATM 0 HE DAR A 154 -1.677 1.150 -6.233 1.00 0.00 H new HETATM 0 HD3 DAR A 154 -0.927 3.566 -5.103 1.00 0.00 H new HETATM 0 HD2 DAR A 154 -1.972 4.083 -6.411 1.00 0.00 H new HETATM 0 HB3 DAR A 154 0.718 4.927 -6.461 1.00 0.00 H new HETATM 0 HB2 DAR A 154 1.718 3.969 -7.534 1.00 0.00 H new HETATM 0 HA DAR A 154 1.225 3.596 -4.572 1.00 0.00 H new HETATM 110 N DPR A 153 3.912 3.474 -4.344 1.00 0.00 N HETATM 111 CA DPR A 153 5.283 3.919 -4.165 1.00 0.00 C HETATM 112 CB DPR A 153 5.875 2.966 -3.139 1.00 0.00 C HETATM 113 CG DPR A 153 4.690 2.319 -2.440 1.00 0.00 C HETATM 114 CD DPR A 153 3.447 2.608 -3.265 1.00 0.00 C HETATM 115 C DPR A 153 5.332 5.382 -3.720 1.00 0.00 C HETATM 116 O DPR A 153 4.292 6.004 -3.504 1.00 0.00 O HETATM 0 HG3 DPR A 153 4.843 1.244 -2.345 1.00 0.00 H new HETATM 0 HG2 DPR A 153 4.579 2.716 -1.431 1.00 0.00 H new HETATM 0 HD3 DPR A 153 2.680 3.099 -2.666 1.00 0.00 H new HETATM 0 HD2 DPR A 153 3.008 1.690 -3.655 1.00 0.00 H new HETATM 0 HB3 DPR A 153 6.503 2.215 -3.619 1.00 0.00 H new HETATM 0 HB2 DPR A 153 6.505 3.500 -2.427 1.00 0.00 H new HETATM 0 HA DPR A 153 5.857 3.894 -5.091 1.00 0.00 H new HETATM 124 N DAL A 152 6.549 5.890 -3.595 1.00 0.00 N HETATM 125 CA DAL A 152 6.747 7.268 -3.180 1.00 0.00 C HETATM 126 CB DAL A 152 8.231 7.624 -3.282 1.00 0.00 C HETATM 127 C DAL A 152 6.199 7.452 -1.763 1.00 0.00 C HETATM 128 O DAL A 152 6.841 7.061 -0.790 1.00 0.00 O HETATM 0 HB3 DAL A 152 8.809 6.964 -2.635 1.00 0.00 H new HETATM 0 HB2 DAL A 152 8.564 7.504 -4.313 1.00 0.00 H new HETATM 0 HB1 DAL A 152 8.379 8.658 -2.971 1.00 0.00 H new HETATM 0 HA DAL A 152 6.203 7.948 -3.835 1.00 0.00 H new HETATM 0 H DAL A 152 7.346 5.327 -3.893 1.00 0.00 H new HETATM 134 N DLE A 151 5.018 8.049 -1.693 1.00 0.00 N HETATM 135 CA DLE A 151 4.377 8.290 -0.411 1.00 0.00 C HETATM 136 CB DLE A 151 3.271 7.262 -0.163 1.00 0.00 C HETATM 137 CG DLE A 151 3.703 5.794 -0.183 1.00 0.00 C HETATM 138 CD1 DLE A 151 3.112 5.065 -1.391 1.00 0.00 C HETATM 139 CD2 DLE A 151 3.350 5.101 1.134 1.00 0.00 C HETATM 140 C DLE A 151 3.892 9.740 -0.353 1.00 0.00 C HETATM 141 O DLE A 151 4.380 10.530 0.454 1.00 0.00 O HETATM 0 HD23 DLE A 151 3.858 5.603 1.957 1.00 0.00 H new HETATM 0 HD22 DLE A 151 2.272 5.146 1.291 1.00 0.00 H new HETATM 0 HD21 DLE A 151 3.668 4.059 1.093 1.00 0.00 H new HETATM 0 HD13 DLE A 151 2.024 5.108 -1.345 1.00 0.00 H new HETATM 0 HD12 DLE A 151 3.456 5.543 -2.308 1.00 0.00 H new HETATM 0 HD11 DLE A 151 3.435 4.024 -1.381 1.00 0.00 H new HETATM 0 HG DLE A 151 4.788 5.758 -0.285 1.00 0.00 H new HETATM 0 HB3 DLE A 151 2.816 7.473 0.805 1.00 0.00 H new HETATM 0 HB2 DLE A 151 2.496 7.402 -0.917 1.00 0.00 H new HETATM 0 HA DLE A 151 5.091 8.159 0.402 1.00 0.00 H new HETATM 153 N DSN A 150 2.939 10.047 -1.220 1.00 0.00 N HETATM 154 CA DSN A 150 2.383 11.388 -1.278 1.00 0.00 C HETATM 155 C DSN A 150 1.887 11.689 -2.694 1.00 0.00 C HETATM 156 O DSN A 150 1.133 10.907 -3.271 1.00 0.00 O HETATM 157 CB DSN A 150 1.244 11.556 -0.270 1.00 0.00 C HETATM 158 OG DSN A 150 1.370 10.662 0.832 1.00 0.00 O HETATM 0 HG DSN A 150 0.625 10.802 1.453 1.00 0.00 H new HETATM 0 HB3 DSN A 150 1.232 12.583 0.096 1.00 0.00 H new HETATM 0 HB2 DSN A 150 0.290 11.384 -0.769 1.00 0.00 H new HETATM 0 HA DSN A 150 3.170 12.096 -1.018 1.00 0.00 H new HETATM 0 H DSN A 150 2.953 9.464 -2.057 1.00 0.00 H new ATOM 164 N GLY A 149 2.331 12.824 -3.213 1.00 0.00 N ATOM 165 CA GLY A 149 1.942 13.238 -4.551 1.00 0.00 C ATOM 166 C GLY A 149 2.135 14.744 -4.737 1.00 0.00 C ATOM 167 O GLY A 149 2.792 15.178 -5.682 1.00 0.00 O ATOM 0 H GLY A 149 2.956 13.470 -2.732 1.00 0.00 H new ATOM 0 HA2 GLY A 149 2.535 12.698 -5.289 1.00 0.00 H new ATOM 0 HA3 GLY A 149 0.898 12.977 -4.727 1.00 0.00 H new HETATM 171 N DPN A 148 1.550 15.501 -3.820 1.00 0.00 N HETATM 172 CA DPN A 148 1.649 16.950 -3.871 1.00 0.00 C HETATM 173 C DPN A 148 1.589 17.453 -5.314 1.00 0.00 C HETATM 174 O DPN A 148 1.076 16.764 -6.195 1.00 0.00 O HETATM 175 CB DPN A 148 0.452 17.508 -3.098 1.00 0.00 C HETATM 176 CG DPN A 148 -0.758 17.833 -3.976 1.00 0.00 C HETATM 177 CD1 DPN A 148 -1.179 19.119 -4.104 1.00 0.00 C HETATM 178 CD2 DPN A 148 -1.413 16.835 -4.628 1.00 0.00 C HETATM 179 CE1 DPN A 148 -2.302 19.421 -4.919 1.00 0.00 C HETATM 180 CE2 DPN A 148 -2.536 17.136 -5.443 1.00 0.00 C HETATM 181 CZ DPN A 148 -2.957 18.423 -5.571 1.00 0.00 C HETATM 0 HZ DPN A 148 -3.819 18.655 -6.196 1.00 0.00 H new HETATM 0 HE2 DPN A 148 -3.060 16.336 -5.966 1.00 0.00 H new HETATM 0 HE1 DPN A 148 -2.639 20.452 -5.022 1.00 0.00 H new HETATM 0 HD2 DPN A 148 -1.076 15.804 -4.525 1.00 0.00 H new HETATM 0 HD1 DPN A 148 -0.655 19.919 -3.581 1.00 0.00 H new HETATM 0 HB3 DPN A 148 0.154 16.785 -2.339 1.00 0.00 H new HETATM 0 HB2 DPN A 148 0.761 18.412 -2.573 1.00 0.00 H new HETATM 0 HA DPN A 148 2.597 17.273 -3.441 1.00 0.00 H new HETATM 0 H2 DPN A 148 1.576 15.019 -2.921 1.00 0.00 H new HETATM 191 N DAS A 147 2.121 18.650 -5.513 1.00 0.00 N HETATM 192 CA DAS A 147 2.134 19.254 -6.834 1.00 0.00 C HETATM 193 C DAS A 147 2.421 20.751 -6.704 1.00 0.00 C HETATM 194 O DAS A 147 3.458 21.230 -7.161 1.00 0.00 O HETATM 195 CB DAS A 147 3.226 18.637 -7.710 1.00 0.00 C HETATM 196 CG DAS A 147 3.427 17.131 -7.529 1.00 0.00 C HETATM 197 OD1 DAS A 147 2.652 16.316 -8.051 1.00 0.00 O HETATM 198 OD2 DAS A 147 4.444 16.800 -6.807 1.00 0.00 O HETATM 0 HD2 DAS A 147 4.252 15.962 -6.337 1.00 0.00 H new HETATM 0 HB3 DAS A 147 2.986 18.833 -8.755 1.00 0.00 H new HETATM 0 HB2 DAS A 147 4.169 19.142 -7.499 1.00 0.00 H new HETATM 0 HA DAS A 147 1.161 19.080 -7.294 1.00 0.00 H new HETATM 0 H DAS A 147 2.289 19.225 -4.688 1.00 0.00 H new ATOM 204 N GLY A 146 1.485 21.448 -6.078 1.00 0.00 N ATOM 205 CA GLY A 146 1.625 22.881 -5.882 1.00 0.00 C ATOM 206 C GLY A 146 0.840 23.659 -6.940 1.00 0.00 C ATOM 207 O GLY A 146 1.426 24.363 -7.760 1.00 0.00 O ATOM 0 H GLY A 146 0.627 21.047 -5.700 1.00 0.00 H new ATOM 0 HA2 GLY A 146 1.269 23.152 -4.888 1.00 0.00 H new ATOM 0 HA3 GLY A 146 2.678 23.157 -5.930 1.00 0.00 H new HETATM 211 N DAR A 145 -0.475 23.505 -6.887 1.00 0.00 N HETATM 212 CA DAR A 145 -1.347 24.184 -7.831 1.00 0.00 C HETATM 213 CB DAR A 145 -2.605 23.360 -8.111 1.00 0.00 C HETATM 214 CG DAR A 145 -2.246 22.006 -8.727 1.00 0.00 C HETATM 215 CD DAR A 145 -2.875 20.859 -7.934 1.00 0.00 C HETATM 216 NE DAR A 145 -4.252 21.219 -7.528 1.00 0.00 N HETATM 217 CZ DAR A 145 -5.322 21.166 -8.350 1.00 0.00 C HETATM 218 NH1 DAR A 145 -6.507 21.511 -7.881 1.00 0.00 N HETATM 219 NH2 DAR A 145 -5.182 20.766 -9.632 1.00 0.00 N HETATM 220 C DAR A 145 -0.609 24.439 -9.146 1.00 0.00 C HETATM 221 O DAR A 145 -0.530 23.556 -9.999 1.00 0.00 O HETATM 0 HH22 DAR A 145 -5.995 20.729 -10.246 1.00 0.00 H new HETATM 0 HH21 DAR A 145 -4.263 20.501 -9.986 1.00 0.00 H new HETATM 0 HH12 DAR A 145 -7.326 21.477 -8.489 1.00 0.00 H new HETATM 0 HH11 DAR A 145 -6.604 21.812 -6.911 1.00 0.00 H new HETATM 0 HG3 DAR A 145 -2.590 21.970 -9.761 1.00 0.00 H new HETATM 0 HG2 DAR A 145 -1.163 21.888 -8.748 1.00 0.00 H new HETATM 0 HE DAR A 145 -4.402 21.526 -6.567 1.00 0.00 H new HETATM 0 HD3 DAR A 145 -2.891 19.953 -8.540 1.00 0.00 H new HETATM 0 HD2 DAR A 145 -2.272 20.642 -7.052 1.00 0.00 H new HETATM 0 HB3 DAR A 145 -3.158 23.207 -7.184 1.00 0.00 H new HETATM 0 HB2 DAR A 145 -3.261 23.909 -8.787 1.00 0.00 H new HETATM 0 HA DAR A 145 -1.642 25.134 -7.386 1.00 0.00 H new HETATM 0 H DAR A 145 -0.743 22.597 -6.507 1.00 0.00 H new HETATM 234 N DVA A 144 -0.087 25.650 -9.270 1.00 0.00 N HETATM 235 CA DVA A 144 0.642 26.032 -10.468 1.00 0.00 C HETATM 236 CB DVA A 144 2.070 26.443 -10.103 1.00 0.00 C HETATM 237 CG1 DVA A 144 2.085 27.791 -9.379 1.00 0.00 C HETATM 238 CG2 DVA A 144 2.965 26.477 -11.343 1.00 0.00 C HETATM 239 C DVA A 144 -0.128 27.133 -11.200 1.00 0.00 C HETATM 240 O DVA A 144 -0.473 28.153 -10.606 1.00 0.00 O HETATM 0 HG23 DVA A 144 2.992 25.487 -11.799 1.00 0.00 H new HETATM 0 HG22 DVA A 144 2.567 27.196 -12.059 1.00 0.00 H new HETATM 0 HG21 DVA A 144 3.974 26.772 -11.055 1.00 0.00 H new HETATM 0 HG13 DVA A 144 1.656 28.556 -10.026 1.00 0.00 H new HETATM 0 HG12 DVA A 144 1.498 27.719 -8.464 1.00 0.00 H new HETATM 0 HG11 DVA A 144 3.112 28.059 -9.131 1.00 0.00 H new HETATM 0 HB DVA A 144 2.470 25.692 -9.422 1.00 0.00 H new HETATM 0 HA DVA A 144 0.726 25.186 -11.150 1.00 0.00 H new ATOM 250 N GLY A 143 -0.375 26.889 -12.478 1.00 0.00 N ATOM 251 CA GLY A 143 -1.098 27.847 -13.297 1.00 0.00 C ATOM 252 C GLY A 143 -0.229 28.345 -14.454 1.00 0.00 C ATOM 253 O GLY A 143 -0.458 27.985 -15.607 1.00 0.00 O ATOM 0 H GLY A 143 -0.087 26.041 -12.967 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -2.003 27.385 -13.690 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -1.412 28.692 -12.684 1.00 0.00 H new HETATM 257 N DSN A 142 0.750 29.167 -14.105 1.00 0.00 N HETATM 258 CA DSN A 142 1.654 29.718 -15.099 1.00 0.00 C HETATM 259 C DSN A 142 2.454 30.875 -14.496 1.00 0.00 C HETATM 260 O DSN A 142 2.503 31.030 -13.277 1.00 0.00 O HETATM 261 CB DSN A 142 2.601 28.644 -15.640 1.00 0.00 C HETATM 262 OG DSN A 142 1.918 27.428 -15.929 1.00 0.00 O HETATM 0 HG DSN A 142 1.055 27.629 -16.349 1.00 0.00 H new HETATM 0 HB3 DSN A 142 3.087 29.011 -16.544 1.00 0.00 H new HETATM 0 HB2 DSN A 142 3.388 28.453 -14.910 1.00 0.00 H new HETATM 0 HA DSN A 142 1.058 30.091 -15.932 1.00 0.00 H new HETATM 0 H DSN A 142 0.723 29.562 -13.165 1.00 0.00 H new ATOM 268 N GLY A 141 3.060 31.657 -15.377 1.00 0.00 N ATOM 269 CA GLY A 141 3.854 32.795 -14.946 1.00 0.00 C ATOM 270 C GLY A 141 3.391 34.080 -15.636 1.00 0.00 C ATOM 271 O GLY A 141 2.221 34.448 -15.548 1.00 0.00 O ATOM 0 H GLY A 141 3.017 31.525 -16.388 1.00 0.00 H new ATOM 0 HA2 GLY A 141 3.775 32.910 -13.865 1.00 0.00 H new ATOM 0 HA3 GLY A 141 4.905 32.616 -15.171 1.00 0.00 H new HETATM 275 N NH2 A 140 4.333 34.727 -16.306 1.00 0.00 N TER 278 NH2 A 140