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= 0.138! USER MOD Single : A 147 DAS OD2 : rot -91:sc= 0.411 USER MOD Single : A 150 DSN OG : rot 180:sc= -0.223 USER MOD Single : A 159 LML OXT : rot -116:sc= 0.795 USER MOD ----------------------------------------------------------------- HETATM 1 C1 LML A 159 -4.191 2.553 0.348 1.00 0.00 C HETATM 2 O1 LML A 159 -4.267 3.841 0.507 1.00 0.00 O HETATM 3 OXT LML A 159 -5.272 1.856 0.161 1.00 0.00 O HETATM 4 CA LML A 159 -2.856 1.871 0.381 1.00 0.00 C HETATM 5 CB LML A 159 -1.613 2.644 0.827 1.00 0.00 C HETATM 6 CG LML A 159 -1.523 4.098 0.357 1.00 0.00 C HETATM 7 CD1 LML A 159 -1.932 5.061 1.472 1.00 0.00 C HETATM 8 CD2 LML A 159 -0.128 4.412 -0.190 1.00 0.00 C HETATM 9 C LML A 159 -3.165 0.651 1.252 1.00 0.00 C HETATM 10 O LML A 159 -4.103 0.672 2.047 1.00 0.00 O HETATM 0 HD23 LML A 159 0.614 4.251 0.592 1.00 0.00 H new HETATM 0 HD22 LML A 159 0.087 3.758 -1.035 1.00 0.00 H new HETATM 0 HD21 LML A 159 -0.091 5.451 -0.517 1.00 0.00 H new HETATM 0 HD13 LML A 159 -2.959 4.854 1.773 1.00 0.00 H new HETATM 0 HD12 LML A 159 -1.270 4.929 2.328 1.00 0.00 H new HETATM 0 HD11 LML A 159 -1.859 6.087 1.112 1.00 0.00 H new HETATM 0 HXT LML A 159 -5.391 1.231 0.906 1.00 0.00 H new HETATM 0 HG LML A 159 -2.229 4.237 -0.462 1.00 0.00 H new HETATM 0 HB2 LML A 159 -1.573 2.632 1.916 1.00 0.00 H new HETATM 0 HB1 LML A 159 -0.731 2.112 0.470 1.00 0.00 H new HETATM 0 HA LML A 159 -2.517 1.673 -0.636 1.00 0.00 H new HETATM 21 N DGN A 158 -2.358 -0.384 1.070 1.00 0.00 N HETATM 22 CA DGN A 158 -2.533 -1.612 1.828 1.00 0.00 C HETATM 23 C DGN A 158 -3.100 -2.713 0.930 1.00 0.00 C HETATM 24 O DGN A 158 -3.632 -3.707 1.422 1.00 0.00 O HETATM 25 CB DGN A 158 -1.216 -2.052 2.471 1.00 0.00 C HETATM 26 CG DGN A 158 -1.295 -3.505 2.943 1.00 0.00 C HETATM 27 CD DGN A 158 -2.335 -3.665 4.054 1.00 0.00 C HETATM 28 OE1 DGN A 158 -3.533 -3.684 3.820 1.00 0.00 O HETATM 29 NE2 DGN A 158 -1.813 -3.778 5.271 1.00 0.00 N HETATM 0 HE22 DGN A 158 -2.424 -3.889 6.080 1.00 0.00 H new HETATM 0 HE21 DGN A 158 -0.801 -3.754 5.396 1.00 0.00 H new HETATM 0 HG3 DGN A 158 -1.553 -4.150 2.103 1.00 0.00 H new HETATM 0 HG2 DGN A 158 -0.319 -3.827 3.305 1.00 0.00 H new HETATM 0 HB3 DGN A 158 -0.403 -1.943 1.754 1.00 0.00 H new HETATM 0 HB2 DGN A 158 -0.985 -1.403 3.316 1.00 0.00 H new HETATM 0 HA DGN A 158 -3.245 -1.422 2.631 1.00 0.00 H new HETATM 38 N DAR A 157 -2.968 -2.499 -0.370 1.00 0.00 N HETATM 39 CA DAR A 157 -3.460 -3.462 -1.341 1.00 0.00 C HETATM 40 CB DAR A 157 -2.622 -4.742 -1.322 1.00 0.00 C HETATM 41 CG DAR A 157 -3.012 -5.670 -2.474 1.00 0.00 C HETATM 42 CD DAR A 157 -4.424 -6.225 -2.277 1.00 0.00 C HETATM 43 NE DAR A 157 -4.509 -6.945 -0.987 1.00 0.00 N HETATM 44 CZ DAR A 157 -5.666 -7.211 -0.344 1.00 0.00 C HETATM 45 NH1 DAR A 157 -5.625 -7.861 0.804 1.00 0.00 N HETATM 46 NH2 DAR A 157 -6.847 -6.818 -0.867 1.00 0.00 N HETATM 47 C DAR A 157 -3.429 -2.861 -2.748 1.00 0.00 C HETATM 48 O DAR A 157 -4.438 -2.350 -3.231 1.00 0.00 O HETATM 0 HH22 DAR A 157 -7.716 -7.023 -0.375 1.00 0.00 H new HETATM 0 HH21 DAR A 157 -6.870 -6.316 -1.755 1.00 0.00 H new HETATM 0 HH12 DAR A 157 -6.490 -8.070 1.303 1.00 0.00 H new HETATM 0 HH11 DAR A 157 -4.729 -8.154 1.192 1.00 0.00 H new HETATM 0 HG3 DAR A 157 -2.959 -5.126 -3.417 1.00 0.00 H new HETATM 0 HG2 DAR A 157 -2.300 -6.493 -2.540 1.00 0.00 H new HETATM 0 HE DAR A 157 -3.639 -7.260 -0.557 1.00 0.00 H new HETATM 0 HD3 DAR A 157 -5.149 -5.412 -2.298 1.00 0.00 H new HETATM 0 HD2 DAR A 157 -4.677 -6.898 -3.096 1.00 0.00 H new HETATM 0 HB3 DAR A 157 -1.564 -4.489 -1.396 1.00 0.00 H new HETATM 0 HB2 DAR A 157 -2.761 -5.258 -0.372 1.00 0.00 H new HETATM 0 HA DAR A 157 -4.486 -3.710 -1.070 1.00 0.00 H new HETATM 61 N DAL A 156 -2.259 -2.942 -3.365 1.00 0.00 N HETATM 62 CA DAL A 156 -2.083 -2.412 -4.707 1.00 0.00 C HETATM 63 CB DAL A 156 -2.389 -3.506 -5.732 1.00 0.00 C HETATM 64 C DAL A 156 -0.664 -1.859 -4.850 1.00 0.00 C HETATM 65 O DAL A 156 0.151 -2.414 -5.585 1.00 0.00 O HETATM 0 HB3 DAL A 156 -1.710 -4.346 -5.581 1.00 0.00 H new HETATM 0 HB2 DAL A 156 -3.418 -3.844 -5.607 1.00 0.00 H new HETATM 0 HB1 DAL A 156 -2.257 -3.109 -6.738 1.00 0.00 H new HETATM 0 HA DAL A 156 -2.776 -1.591 -4.890 1.00 0.00 H new HETATM 71 N DVA A 155 -0.412 -0.772 -4.136 1.00 0.00 N HETATM 72 CA DVA A 155 0.895 -0.138 -4.174 1.00 0.00 C HETATM 73 CB DVA A 155 1.816 -0.773 -3.130 1.00 0.00 C HETATM 74 CG1 DVA A 155 3.283 -0.650 -3.546 1.00 0.00 C HETATM 75 CG2 DVA A 155 1.437 -2.235 -2.882 1.00 0.00 C HETATM 76 C DVA A 155 0.730 1.372 -3.985 1.00 0.00 C HETATM 77 O DVA A 155 -0.245 1.823 -3.387 1.00 0.00 O HETATM 0 HG23 DVA A 155 0.410 -2.288 -2.521 1.00 0.00 H new HETATM 0 HG22 DVA A 155 1.524 -2.796 -3.812 1.00 0.00 H new HETATM 0 HG21 DVA A 155 2.107 -2.663 -2.136 1.00 0.00 H new HETATM 0 HG13 DVA A 155 3.434 -1.156 -4.499 1.00 0.00 H new HETATM 0 HG12 DVA A 155 3.545 0.403 -3.649 1.00 0.00 H new HETATM 0 HG11 DVA A 155 3.916 -1.109 -2.787 1.00 0.00 H new HETATM 0 HB DVA A 155 1.687 -0.230 -2.194 1.00 0.00 H new HETATM 0 HA DVA A 155 1.367 -0.296 -5.144 1.00 0.00 H new HETATM 87 N DAR A 154 1.698 2.110 -4.507 1.00 0.00 N HETATM 88 CA DAR A 154 1.673 3.559 -4.404 1.00 0.00 C HETATM 89 CB DAR A 154 0.543 4.152 -5.249 1.00 0.00 C HETATM 90 CG DAR A 154 0.212 3.245 -6.435 1.00 0.00 C HETATM 91 CD DAR A 154 1.368 3.207 -7.436 1.00 0.00 C HETATM 92 NE DAR A 154 2.377 2.212 -7.007 1.00 0.00 N HETATM 93 CZ DAR A 154 2.240 0.879 -7.165 1.00 0.00 C HETATM 94 NH1 DAR A 154 3.204 0.082 -6.744 1.00 0.00 N HETATM 95 NH2 DAR A 154 1.133 0.368 -7.745 1.00 0.00 N HETATM 96 C DAR A 154 3.007 4.148 -4.865 1.00 0.00 C HETATM 97 O DAR A 154 3.056 4.894 -5.842 1.00 0.00 O HETATM 0 HH22 DAR A 154 1.037 -0.641 -7.861 1.00 0.00 H new HETATM 0 HH21 DAR A 154 0.392 0.991 -8.068 1.00 0.00 H new HETATM 0 HH12 DAR A 154 3.116 -0.928 -6.856 1.00 0.00 H new HETATM 0 HH11 DAR A 154 4.037 0.476 -6.307 1.00 0.00 H new HETATM 0 HG3 DAR A 154 0.002 2.237 -6.079 1.00 0.00 H new HETATM 0 HG2 DAR A 154 -0.691 3.603 -6.930 1.00 0.00 H new HETATM 0 HE DAR A 154 3.229 2.556 -6.564 1.00 0.00 H new HETATM 0 HD3 DAR A 154 0.993 2.953 -8.427 1.00 0.00 H new HETATM 0 HD2 DAR A 154 1.827 4.193 -7.512 1.00 0.00 H new HETATM 0 HB3 DAR A 154 -0.345 4.288 -4.632 1.00 0.00 H new HETATM 0 HB2 DAR A 154 0.834 5.138 -5.611 1.00 0.00 H new HETATM 0 HA DAR A 154 1.502 3.813 -3.358 1.00 0.00 H new HETATM 110 N DPR A 153 4.085 3.780 -4.122 1.00 0.00 N HETATM 111 CA DPR A 153 5.417 4.264 -4.444 1.00 0.00 C HETATM 112 CB DPR A 153 6.364 3.326 -3.714 1.00 0.00 C HETATM 113 CG DPR A 153 5.529 2.643 -2.642 1.00 0.00 C HETATM 114 CD DPR A 153 4.065 2.898 -2.959 1.00 0.00 C HETATM 115 C DPR A 153 5.585 5.726 -4.028 1.00 0.00 C HETATM 116 O DPR A 153 4.706 6.298 -3.385 1.00 0.00 O HETATM 0 HG3 DPR A 153 5.735 1.573 -2.622 1.00 0.00 H new HETATM 0 HG2 DPR A 153 5.780 3.034 -1.656 1.00 0.00 H new HETATM 0 HD3 DPR A 153 3.553 3.364 -2.117 1.00 0.00 H new HETATM 0 HD2 DPR A 153 3.539 1.968 -3.176 1.00 0.00 H new HETATM 0 HB3 DPR A 153 6.795 2.595 -4.398 1.00 0.00 H new HETATM 0 HB2 DPR A 153 7.194 3.876 -3.271 1.00 0.00 H new HETATM 0 HA DPR A 153 5.619 4.258 -5.515 1.00 0.00 H new HETATM 124 N DAL A 152 6.721 6.291 -4.411 1.00 0.00 N HETATM 125 CA DAL A 152 7.016 7.676 -4.086 1.00 0.00 C HETATM 126 CB DAL A 152 8.414 8.033 -4.593 1.00 0.00 C HETATM 127 C DAL A 152 6.872 7.882 -2.576 1.00 0.00 C HETATM 128 O DAL A 152 7.795 7.593 -1.816 1.00 0.00 O HETATM 0 HB3 DAL A 152 9.150 7.384 -4.118 1.00 0.00 H new HETATM 0 HB2 DAL A 152 8.455 7.897 -5.674 1.00 0.00 H new HETATM 0 HB1 DAL A 152 8.635 9.072 -4.349 1.00 0.00 H new HETATM 0 HA DAL A 152 6.311 8.345 -4.579 1.00 0.00 H new HETATM 0 H DAL A 152 7.411 5.725 -4.906 1.00 0.00 H new HETATM 134 N DLE A 151 5.708 8.380 -2.187 1.00 0.00 N HETATM 135 CA DLE A 151 5.432 8.629 -0.783 1.00 0.00 C HETATM 136 CB DLE A 151 4.690 7.442 -0.165 1.00 0.00 C HETATM 137 CG DLE A 151 5.464 6.123 -0.107 1.00 0.00 C HETATM 138 CD1 DLE A 151 4.626 4.971 -0.665 1.00 0.00 C HETATM 139 CD2 DLE A 151 5.956 5.838 1.313 1.00 0.00 C HETATM 140 C DLE A 151 4.691 9.959 -0.641 1.00 0.00 C HETATM 141 O DLE A 151 5.093 10.818 0.143 1.00 0.00 O HETATM 0 HD23 DLE A 151 6.614 6.644 1.639 1.00 0.00 H new HETATM 0 HD22 DLE A 151 5.102 5.772 1.987 1.00 0.00 H new HETATM 0 HD21 DLE A 151 6.503 4.895 1.326 1.00 0.00 H new HETATM 0 HD13 DLE A 151 3.714 4.867 -0.078 1.00 0.00 H new HETATM 0 HD12 DLE A 151 4.367 5.179 -1.703 1.00 0.00 H new HETATM 0 HD11 DLE A 151 5.199 4.045 -0.612 1.00 0.00 H new HETATM 0 HG DLE A 151 6.346 6.216 -0.741 1.00 0.00 H new HETATM 0 HB3 DLE A 151 4.395 7.712 0.849 1.00 0.00 H new HETATM 0 HB2 DLE A 151 3.773 7.278 -0.731 1.00 0.00 H new HETATM 0 HA DLE A 151 6.362 8.721 -0.222 1.00 0.00 H new HETATM 153 N DSN A 150 3.621 10.089 -1.411 1.00 0.00 N HETATM 154 CA DSN A 150 2.819 11.301 -1.381 1.00 0.00 C HETATM 155 C DSN A 150 2.129 11.506 -2.731 1.00 0.00 C HETATM 156 O DSN A 150 1.432 10.617 -3.217 1.00 0.00 O HETATM 157 CB DSN A 150 1.782 11.247 -0.258 1.00 0.00 C HETATM 158 OG DSN A 150 2.200 10.409 0.816 1.00 0.00 O HETATM 0 HG DSN A 150 1.511 10.403 1.513 1.00 0.00 H new HETATM 0 HB3 DSN A 150 1.602 12.254 0.117 1.00 0.00 H new HETATM 0 HB2 DSN A 150 0.836 10.881 -0.656 1.00 0.00 H new HETATM 0 HA DSN A 150 3.481 12.145 -1.187 1.00 0.00 H new HETATM 0 H DSN A 150 3.656 9.521 -2.258 1.00 0.00 H new ATOM 164 N GLY A 149 2.348 12.683 -3.298 1.00 0.00 N ATOM 165 CA GLY A 149 1.755 13.016 -4.583 1.00 0.00 C ATOM 166 C GLY A 149 1.418 14.506 -4.661 1.00 0.00 C ATOM 167 O GLY A 149 0.247 14.883 -4.644 1.00 0.00 O ATOM 0 H GLY A 149 2.927 13.418 -2.892 1.00 0.00 H new ATOM 0 HA2 GLY A 149 2.445 12.753 -5.385 1.00 0.00 H new ATOM 0 HA3 GLY A 149 0.851 12.426 -4.734 1.00 0.00 H new HETATM 171 N DPN A 148 2.465 15.314 -4.746 1.00 0.00 N HETATM 172 CA DPN A 148 2.295 16.754 -4.827 1.00 0.00 C HETATM 173 C DPN A 148 3.588 17.482 -4.452 1.00 0.00 C HETATM 174 O DPN A 148 4.680 16.941 -4.621 1.00 0.00 O HETATM 175 CB DPN A 148 1.942 17.082 -6.279 1.00 0.00 C HETATM 176 CG DPN A 148 1.104 16.006 -6.973 1.00 0.00 C HETATM 177 CD1 DPN A 148 -0.247 16.143 -7.052 1.00 0.00 C HETATM 178 CD2 DPN A 148 1.710 14.914 -7.512 1.00 0.00 C HETATM 179 CE1 DPN A 148 -1.025 15.144 -7.697 1.00 0.00 C HETATM 180 CE2 DPN A 148 0.932 13.916 -8.156 1.00 0.00 C HETATM 181 CZ DPN A 148 -0.419 14.052 -8.235 1.00 0.00 C HETATM 0 HZ DPN A 148 -1.016 13.286 -8.730 1.00 0.00 H new HETATM 0 HE2 DPN A 148 1.418 13.041 -8.587 1.00 0.00 H new HETATM 0 HE1 DPN A 148 -2.108 15.253 -7.761 1.00 0.00 H new HETATM 0 HD2 DPN A 148 2.793 14.805 -7.450 1.00 0.00 H new HETATM 0 HD1 DPN A 148 -0.733 17.018 -6.621 1.00 0.00 H new HETATM 0 HB3 DPN A 148 1.397 18.026 -6.306 1.00 0.00 H new HETATM 0 HB2 DPN A 148 2.864 17.230 -6.842 1.00 0.00 H new HETATM 0 HA DPN A 148 1.516 17.075 -4.136 1.00 0.00 H new HETATM 0 H DPN A 148 3.364 14.922 -4.467 1.00 0.00 H new HETATM 191 N DAS A 147 3.422 18.697 -3.952 1.00 0.00 N HETATM 192 CA DAS A 147 4.562 19.504 -3.552 1.00 0.00 C HETATM 193 C DAS A 147 4.119 20.958 -3.383 1.00 0.00 C HETATM 194 O DAS A 147 4.046 21.463 -2.264 1.00 0.00 O HETATM 195 CB DAS A 147 5.134 19.026 -2.216 1.00 0.00 C HETATM 196 CG DAS A 147 5.165 17.508 -2.031 1.00 0.00 C HETATM 197 OD1 DAS A 147 4.184 16.899 -1.579 1.00 0.00 O HETATM 198 OD2 DAS A 147 6.270 16.939 -2.379 1.00 0.00 O HETATM 0 HD2 DAS A 147 6.215 16.663 -3.318 1.00 0.00 H new HETATM 0 HB3 DAS A 147 6.149 19.410 -2.115 1.00 0.00 H new HETATM 0 HB2 DAS A 147 4.546 19.463 -1.409 1.00 0.00 H new HETATM 0 HA DAS A 147 5.326 19.414 -4.324 1.00 0.00 H new HETATM 0 H DAS A 147 2.507 19.132 -4.074 1.00 0.00 H new ATOM 204 N GLY A 146 3.834 21.591 -4.512 1.00 0.00 N ATOM 205 CA GLY A 146 3.399 22.978 -4.504 1.00 0.00 C ATOM 206 C GLY A 146 4.508 23.903 -5.008 1.00 0.00 C ATOM 207 O GLY A 146 4.343 24.580 -6.022 1.00 0.00 O ATOM 0 H GLY A 146 3.896 21.169 -5.439 1.00 0.00 H new ATOM 0 HA2 GLY A 146 2.515 23.089 -5.131 1.00 0.00 H new ATOM 0 HA3 GLY A 146 3.111 23.267 -3.493 1.00 0.00 H new HETATM 211 N DAR A 145 5.613 23.903 -4.278 1.00 0.00 N HETATM 212 CA DAR A 145 6.749 24.734 -4.639 1.00 0.00 C HETATM 213 CB DAR A 145 7.402 24.243 -5.932 1.00 0.00 C HETATM 214 CG DAR A 145 7.866 22.791 -5.796 1.00 0.00 C HETATM 215 CD DAR A 145 6.858 21.831 -6.429 1.00 0.00 C HETATM 216 NE DAR A 145 6.516 22.284 -7.796 1.00 0.00 N HETATM 217 CZ DAR A 145 7.290 22.067 -8.880 1.00 0.00 C HETATM 218 NH1 DAR A 145 6.887 22.517 -10.054 1.00 0.00 N HETATM 219 NH2 DAR A 145 8.459 21.401 -8.766 1.00 0.00 N HETATM 220 C DAR A 145 7.789 24.728 -3.517 1.00 0.00 C HETATM 221 O DAR A 145 8.024 23.696 -2.889 1.00 0.00 O HETATM 0 HH22 DAR A 145 9.038 21.242 -9.591 1.00 0.00 H new HETATM 0 HH21 DAR A 145 8.763 21.057 -7.855 1.00 0.00 H new HETATM 0 HH12 DAR A 145 7.460 22.362 -10.884 1.00 0.00 H new HETATM 0 HH11 DAR A 145 6.003 23.020 -10.131 1.00 0.00 H new HETATM 0 HG3 DAR A 145 8.838 22.670 -6.274 1.00 0.00 H new HETATM 0 HG2 DAR A 145 7.996 22.544 -4.742 1.00 0.00 H new HETATM 0 HE DAR A 145 5.641 22.792 -7.927 1.00 0.00 H new HETATM 0 HD3 DAR A 145 7.275 20.824 -6.464 1.00 0.00 H new HETATM 0 HD2 DAR A 145 5.957 21.782 -5.817 1.00 0.00 H new HETATM 0 HB3 DAR A 145 6.693 24.326 -6.756 1.00 0.00 H new HETATM 0 HB2 DAR A 145 8.253 24.879 -6.178 1.00 0.00 H new HETATM 0 HA DAR A 145 6.381 25.748 -4.793 1.00 0.00 H new HETATM 234 N DVA A 144 8.384 25.891 -3.298 1.00 0.00 N HETATM 235 CA DVA A 144 9.394 26.033 -2.263 1.00 0.00 C HETATM 236 CB DVA A 144 8.815 26.794 -1.068 1.00 0.00 C HETATM 237 CG1 DVA A 144 8.587 28.266 -1.415 1.00 0.00 C HETATM 238 CG2 DVA A 144 9.716 26.652 0.160 1.00 0.00 C HETATM 239 C DVA A 144 10.635 26.704 -2.855 1.00 0.00 C HETATM 240 O DVA A 144 10.568 27.842 -3.318 1.00 0.00 O HETATM 0 HG23 DVA A 144 9.805 25.599 0.426 1.00 0.00 H new HETATM 0 HG22 DVA A 144 10.704 27.054 -0.065 1.00 0.00 H new HETATM 0 HG21 DVA A 144 9.282 27.202 0.995 1.00 0.00 H new HETATM 0 HG13 DVA A 144 9.535 28.725 -1.695 1.00 0.00 H new HETATM 0 HG12 DVA A 144 7.888 28.339 -2.248 1.00 0.00 H new HETATM 0 HG11 DVA A 144 8.175 28.784 -0.549 1.00 0.00 H new HETATM 0 HB DVA A 144 7.848 26.354 -0.826 1.00 0.00 H new HETATM 0 HA DVA A 144 9.700 25.055 -1.891 1.00 0.00 H new ATOM 250 N GLY A 143 11.738 25.971 -2.821 1.00 0.00 N ATOM 251 CA GLY A 143 12.992 26.481 -3.348 1.00 0.00 C ATOM 252 C GLY A 143 14.186 25.849 -2.630 1.00 0.00 C ATOM 253 O GLY A 143 14.243 24.632 -2.465 1.00 0.00 O ATOM 0 H GLY A 143 11.789 25.028 -2.437 1.00 0.00 H new ATOM 0 HA2 GLY A 143 13.053 26.272 -4.416 1.00 0.00 H new ATOM 0 HA3 GLY A 143 13.025 27.564 -3.232 1.00 0.00 H new HETATM 257 N DSN A 142 15.111 26.706 -2.222 1.00 0.00 N HETATM 258 CA DSN A 142 16.301 26.246 -1.526 1.00 0.00 C HETATM 259 C DSN A 142 17.357 27.353 -1.508 1.00 0.00 C HETATM 260 O DSN A 142 17.036 28.520 -1.286 1.00 0.00 O HETATM 261 CB DSN A 142 15.969 25.808 -0.098 1.00 0.00 C HETATM 262 OG DSN A 142 14.808 24.982 -0.050 1.00 0.00 O HETATM 0 HG DSN A 142 14.727 24.483 -0.889 1.00 0.00 H new HETATM 0 HB3 DSN A 142 16.817 25.267 0.322 1.00 0.00 H new HETATM 0 HB2 DSN A 142 15.813 26.689 0.525 1.00 0.00 H new HETATM 0 HA DSN A 142 16.697 25.382 -2.060 1.00 0.00 H new HETATM 0 H DSN A 142 15.079 27.649 -2.609 1.00 0.00 H new ATOM 268 N GLY A 141 18.596 26.949 -1.745 1.00 0.00 N ATOM 269 CA GLY A 141 19.702 27.892 -1.759 1.00 0.00 C ATOM 270 C GLY A 141 20.888 27.334 -2.548 1.00 0.00 C ATOM 271 O GLY A 141 21.620 26.478 -2.052 1.00 0.00 O ATOM 0 H GLY A 141 18.859 25.981 -1.929 1.00 0.00 H new ATOM 0 HA2 GLY A 141 19.376 28.833 -2.202 1.00 0.00 H new ATOM 0 HA3 GLY A 141 20.011 28.111 -0.737 1.00 0.00 H new HETATM 275 N NH2 A 140 21.043 27.842 -3.762 1.00 0.00 N TER 278 NH2 A 140