USER MOD reduce.3.24.130724 H: found=0, std=0, add=255, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 278 hydrogens (270 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 2 DAS H2 : A 2 DAS N : A 1 GLY C :(H bumps) USER MOD NoAdj-H: A 3 DCY H2 : A 3 DCY N : A 2 DAS C :(H bumps) USER MOD NoAdj-H: A 4 DLE H2 : A 4 DLE N : A 3 DCY C :(H bumps) USER MOD NoAdj-H: A 5 DPR H : A 5 DPR N : A 4 DLE C :(H bumps) USER MOD NoAdj-H: A 6 DHI H2 : A 6 DHI N : A 5 DPR C :(H bumps) USER MOD NoAdj-H: A 7 DLE H2 : A 7 DLE N : A 6 DHI C :(H bumps) USER MOD NoAdj-H: A 7 DLE H : A 7 DLE N : A 6 DHI C :(H bumps) USER MOD NoAdj-H: A 8 DLY H2 : A 8 DLY N : A 7 DLE C :(H bumps) USER MOD NoAdj-H: A 9 DLE H2 : A 9 DLE N : A 8 DLY C :(H bumps) USER MOD NoAdj-H: A 10 DCY H2 : A 10 DCY N : A 9 DLE C :(H bumps) USER MOD NoAdj-H: A 10 DCY H : A 10 DCY N : A 9 DLE C :(H bumps) USER MOD NoAdj-H: A 11 DLY H2 : A 11 DLY N : A 10 DCY C :(H bumps) USER MOD NoAdj-H: A 11 DLY H : A 11 DLY N : A 10 DCY C :(H bumps) USER MOD NoAdj-H: A 12 DGL H2 : A 12 DGL N : A 11 DLY C :(H bumps) USER MOD NoAdj-H: A 13 DSG H2 : A 13 DSG N : A 12 DGL C :(H bumps) USER MOD NoAdj-H: A 13 DSG H : A 13 DSG N : A 12 DGL C :(H bumps) USER MOD NoAdj-H: A 14 DLY H2 : A 14 DLY N : A 13 DSG C :(H bumps) USER MOD NoAdj-H: A 14 DLY H : A 14 DLY N : A 13 DSG C :(H bumps) USER MOD NoAdj-H: A 15 DAS H2 : A 15 DAS N : A 14 DLY C :(H bumps) USER MOD NoAdj-H: A 15 DAS H : A 15 DAS N : A 14 DLY C :(H bumps) USER MOD NoAdj-H: A 16 DCY H2 : A 16 DCY N : A 15 DAS C :(H bumps) USER MOD NoAdj-H: A 16 DCY H : A 16 DCY N : A 15 DAS C :(H bumps) USER MOD NoAdj-H: A 17 DCY H2 : A 17 DCY N : A 16 DCY C :(H bumps) USER MOD NoAdj-H: A 17 DCY H : A 17 DCY N : A 16 DCY C :(H bumps) USER MOD NoAdj-H: A 18 DSN H2 : A 18 DSN N : A 17 DCY C :(H bumps) USER MOD NoAdj-H: A 18 DSN H : A 18 DSN N : A 17 DCY C :(H bumps) USER MOD NoAdj-H: A 19 DLY H2 : A 19 DLY N : A 18 DSN C :(H bumps) USER MOD NoAdj-H: A 19 DLY H : A 19 DLY N : A 18 DSN C :(H bumps) USER MOD NoAdj-H: A 20 DLY H2 : A 20 DLY N : A 19 DLY C :(H bumps) USER MOD NoAdj-H: A 20 DLY H : A 20 DLY N : A 19 DLY C :(H bumps) USER MOD NoAdj-H: A 21 DCY H2 : A 21 DCY N : A 20 DLY C :(H bumps) USER MOD NoAdj-H: A 21 DCY H : A 21 DCY N : A 20 DLY C :(H bumps) USER MOD NoAdj-H: A 22 DLY H2 : A 22 DLY N : A 21 DCY C :(H bumps) USER MOD NoAdj-H: A 22 DLY H : A 22 DLY N : A 21 DCY C :(H bumps) USER MOD NoAdj-H: A 23 DAR H2 : A 23 DAR N : A 22 DLY C :(H bumps) USER MOD NoAdj-H: A 23 DAR H : A 23 DAR N : A 22 DLY C :(H bumps) USER MOD NoAdj-H: A 24 DAR H2 : A 24 DAR N : A 23 DAR C :(H bumps) USER MOD NoAdj-H: A 26 DTH HN2 : A 26 DTH N : A 25 GLY C :(H bumps) USER MOD NoAdj-H: A 26 DTH H : A 26 DTH N : A 25 GLY C :(H bumps) USER MOD NoAdj-H: A 27 DSG H2 : A 27 DSG N : A 26 DTH C :(H bumps) USER MOD NoAdj-H: A 28 DIL H2 : A 28 DIL N : A 27 DSG C :(H bumps) USER MOD NoAdj-H: A 28 DIL H : A 28 DIL N : A 27 DSG C :(H bumps) USER MOD NoAdj-H: A 29 DGL H2 : A 29 DGL N : A 28 DIL C :(H bumps) USER MOD NoAdj-H: A 29 DGL H : A 29 DGL N : A 28 DIL C :(H bumps) USER MOD NoAdj-H: A 30 DLY H2 : A 30 DLY N : A 29 DGL C :(H bumps) USER MOD NoAdj-H: A 30 DLY H : A 30 DLY N : A 29 DGL C :(H bumps) USER MOD NoAdj-H: A 31 DAR H2 : A 31 DAR N : A 30 DLY C :(H bumps) USER MOD NoAdj-H: A 31 DAR H : A 31 DAR N : A 30 DLY C :(H bumps) USER MOD NoAdj-H: A 32 DCY H2 : A 32 DCY N : A 31 DAR C :(H bumps) USER MOD NoAdj-H: A 32 DCY H : A 32 DCY N : A 31 DAR C :(H bumps) USER MOD NoAdj-H: A 33 DAR H2 : A 33 DAR N : A 32 DCY C :(H bumps) USER MOD NoAdj-H: A 33 DAR H : A 33 DAR N : A 32 DCY C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -140:sc= 0.0467 (180deg=0) USER MOD Single : A 2 DAS OD2 : rot 175:sc= 0 USER MOD Single : A 12 DGL OE2 : rot 165:sc= 0 USER MOD Single : A 15 DAS OD2 : rot 165:sc= 0 USER MOD Single : A 18 DSN OG : rot -145:sc= 0.717 USER MOD Single : A 26 DTH OG1 : rot 6:sc= 1.46 USER MOD Single : A 29 DGL OE2 : rot 168:sc= 0 USER MOD Single : A 33 DAR OXT : rot 120:sc= -1.69! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.520 -4.106 0.846 1.00 45.22 N ATOM 2 CA GLY A 1 1.012 -4.114 -0.520 1.00 32.41 C ATOM 3 C GLY A 1 2.475 -4.377 -0.517 1.00 74.44 C ATOM 4 O GLY A 1 2.949 -5.221 0.257 1.00 3.41 O ATOM 0 H1 GLY A 1 -0.403 -4.584 0.885 1.00 45.22 H new ATOM 0 H2 GLY A 1 1.195 -4.604 1.461 1.00 45.22 H new ATOM 0 H3 GLY A 1 0.415 -3.124 1.172 1.00 45.22 H new ATOM 0 HA2 GLY A 1 0.495 -4.879 -1.100 1.00 32.41 H new ATOM 0 HA3 GLY A 1 0.805 -3.157 -0.998 1.00 32.41 H new HETATM 10 N DAS A 2 3.198 -3.657 -1.326 1.00 64.44 N HETATM 11 CA DAS A 2 4.636 -3.781 -1.397 1.00 64.44 C HETATM 12 C DAS A 2 5.121 -3.219 -2.698 1.00 14.11 C HETATM 13 O DAS A 2 5.061 -2.006 -2.919 1.00 53.52 O HETATM 14 CB DAS A 2 5.302 -3.053 -0.227 1.00 2.45 C HETATM 15 CG DAS A 2 6.811 -3.092 -0.283 1.00 2.31 C HETATM 16 OD1 DAS A 2 7.390 -4.187 -0.471 1.00 24.03 O HETATM 17 OD2 DAS A 2 7.453 -2.045 -0.054 1.00 64.20 O HETATM 0 HD2 DAS A 2 8.413 -2.244 -0.051 1.00 64.20 H new HETATM 0 HB3 DAS A 2 4.972 -2.014 -0.219 1.00 2.45 H new HETATM 0 HB2 DAS A 2 4.968 -3.501 0.709 1.00 2.45 H new HETATM 0 HA DAS A 2 4.902 -4.836 -1.335 1.00 64.44 H new HETATM 0 H DAS A 2 2.684 -3.235 -2.099 1.00 64.44 H new HETATM 22 N DCY A 3 5.529 -4.081 -3.572 1.00 43.30 N HETATM 23 CA DCY A 3 6.029 -3.681 -4.856 1.00 62.02 C HETATM 24 C DCY A 3 6.994 -4.735 -5.392 1.00 44.31 C HETATM 25 O DCY A 3 6.936 -5.905 -4.973 1.00 22.14 O HETATM 26 CB DCY A 3 4.847 -3.429 -5.826 1.00 32.44 C HETATM 27 SG DCY A 3 3.634 -4.792 -5.956 1.00 62.15 S HETATM 0 HB3 DCY A 3 4.323 -2.528 -5.507 1.00 32.44 H new HETATM 0 HB2 DCY A 3 5.250 -3.228 -6.819 1.00 32.44 H new HETATM 0 HA DCY A 3 6.583 -2.747 -4.761 1.00 62.02 H new HETATM 0 H DCY A 3 5.834 -4.962 -3.158 1.00 43.30 H new HETATM 32 N DLE A 4 7.910 -4.329 -6.246 1.00 23.11 N HETATM 33 CA DLE A 4 8.857 -5.252 -6.866 1.00 52.41 C HETATM 34 CB DLE A 4 10.013 -4.463 -7.472 1.00 32.22 C HETATM 35 CG DLE A 4 10.776 -3.571 -6.490 1.00 53.33 C HETATM 36 CD1 DLE A 4 11.464 -4.397 -5.422 1.00 54.45 C HETATM 37 CD2 DLE A 4 11.769 -2.687 -7.214 1.00 33.12 C HETATM 38 C DLE A 4 8.105 -6.055 -7.929 1.00 70.03 C HETATM 39 O DLE A 4 7.378 -5.481 -8.707 1.00 73.21 O HETATM 0 HD23 DLE A 4 12.487 -3.309 -7.749 1.00 33.12 H new HETATM 0 HD22 DLE A 4 11.240 -2.051 -7.923 1.00 33.12 H new HETATM 0 HD21 DLE A 4 12.296 -2.064 -6.491 1.00 33.12 H new HETATM 0 HD13 DLE A 4 10.719 -4.968 -4.867 1.00 54.45 H new HETATM 0 HD12 DLE A 4 12.170 -5.082 -5.891 1.00 54.45 H new HETATM 0 HD11 DLE A 4 11.998 -3.736 -4.739 1.00 54.45 H new HETATM 0 HG DLE A 4 10.050 -2.925 -5.997 1.00 53.33 H new HETATM 0 HB3 DLE A 4 10.715 -5.165 -7.922 1.00 32.22 H new HETATM 0 HB2 DLE A 4 9.624 -3.840 -8.278 1.00 32.22 H new HETATM 0 HA DLE A 4 9.277 -5.939 -6.131 1.00 52.41 H new HETATM 0 H DLE A 4 8.087 -3.325 -6.269 1.00 23.11 H new HETATM 51 N DPR A 5 8.267 -7.375 -8.003 1.00 51.24 N HETATM 52 CA DPR A 5 7.390 -8.208 -8.815 1.00 32.22 C HETATM 53 CB DPR A 5 7.513 -9.602 -8.163 1.00 62.05 C HETATM 54 CG DPR A 5 8.620 -9.481 -7.138 1.00 12.35 C HETATM 55 CD DPR A 5 9.323 -8.171 -7.388 1.00 13.03 C HETATM 56 C DPR A 5 7.721 -8.224 -10.328 1.00 64.20 C HETATM 57 O DPR A 5 7.246 -7.366 -11.085 1.00 4.43 O HETATM 0 HG3 DPR A 5 8.213 -9.511 -6.127 1.00 12.35 H new HETATM 0 HG2 DPR A 5 9.317 -10.314 -7.226 1.00 12.35 H new HETATM 0 HD3 DPR A 5 10.183 -8.288 -8.048 1.00 13.03 H new HETATM 0 HD2 DPR A 5 9.689 -7.721 -6.465 1.00 13.03 H new HETATM 0 HB3 DPR A 5 6.575 -9.898 -7.693 1.00 62.05 H new HETATM 0 HB2 DPR A 5 7.750 -10.362 -8.907 1.00 62.05 H new HETATM 0 HA DPR A 5 6.372 -7.820 -8.818 1.00 32.22 H new HETATM 65 N DHI A 6 8.543 -9.172 -10.752 1.00 74.51 N HETATM 66 CA DHI A 6 8.963 -9.304 -12.132 1.00 72.12 C HETATM 67 C DHI A 6 10.198 -10.168 -12.119 1.00 23.22 C HETATM 68 O DHI A 6 10.331 -10.994 -11.217 1.00 22.32 O HETATM 69 CB DHI A 6 7.855 -9.906 -13.054 1.00 4.12 C HETATM 70 CG DHI A 6 7.599 -11.384 -12.939 1.00 31.13 C HETATM 71 ND1 DHI A 6 7.834 -12.263 -13.975 1.00 1.05 N HETATM 72 CD2 DHI A 6 7.112 -12.128 -11.924 1.00 21.23 C HETATM 73 CE1 DHI A 6 7.510 -13.476 -13.598 1.00 73.43 C HETATM 74 NE2 DHI A 6 7.066 -13.426 -12.358 1.00 32.53 N HETATM 0 HE2 DHI A 6 6.741 -14.223 -11.811 1.00 32.53 H new HETATM 0 HE1 DHI A 6 7.594 -14.375 -14.208 1.00 73.43 H new HETATM 0 HD2 DHI A 6 6.811 -11.764 -10.942 1.00 21.23 H new HETATM 0 HD1 DHI A 6 8.202 -12.009 -14.892 1.00 1.05 H new HETATM 0 HB3 DHI A 6 6.921 -9.383 -12.847 1.00 4.12 H new HETATM 0 HB2 DHI A 6 8.120 -9.688 -14.089 1.00 4.12 H new HETATM 0 HA DHI A 6 9.167 -8.320 -12.553 1.00 72.12 H new HETATM 0 H DHI A 6 9.074 -9.630 -10.011 1.00 74.51 H new HETATM 83 N DLE A 7 11.095 -9.954 -13.071 1.00 21.21 N HETATM 84 CA DLE A 7 12.400 -10.613 -13.123 1.00 3.41 C HETATM 85 CB DLE A 7 12.290 -12.150 -13.254 1.00 61.51 C HETATM 86 CG DLE A 7 12.111 -12.709 -14.674 1.00 21.14 C HETATM 87 CD1 DLE A 7 11.896 -14.207 -14.644 1.00 71.35 C HETATM 88 CD2 DLE A 7 11.003 -12.008 -15.428 1.00 41.34 C HETATM 89 C DLE A 7 13.188 -10.209 -11.905 1.00 4.14 C HETATM 90 O DLE A 7 13.994 -10.962 -11.381 1.00 0.31 O HETATM 0 HD23 DLE A 7 10.062 -12.135 -14.893 1.00 41.34 H new HETATM 0 HD22 DLE A 7 11.234 -10.946 -15.509 1.00 41.34 H new HETATM 0 HD21 DLE A 7 10.914 -12.437 -16.426 1.00 41.34 H new HETATM 0 HD13 DLE A 7 12.759 -14.689 -14.185 1.00 71.35 H new HETATM 0 HD12 DLE A 7 11.002 -14.435 -14.064 1.00 71.35 H new HETATM 0 HD11 DLE A 7 11.772 -14.577 -15.662 1.00 71.35 H new HETATM 0 HG DLE A 7 13.035 -12.511 -15.217 1.00 21.14 H new HETATM 0 HB3 DLE A 7 13.188 -12.594 -12.824 1.00 61.51 H new HETATM 0 HB2 DLE A 7 11.448 -12.484 -12.648 1.00 61.51 H new HETATM 0 HA DLE A 7 12.921 -10.287 -14.023 1.00 3.41 H new HETATM 102 N DLY A 8 12.985 -8.986 -11.480 1.00 62.22 N HETATM 103 CA DLY A 8 13.625 -8.516 -10.281 1.00 4.13 C HETATM 104 C DLY A 8 14.083 -7.097 -10.520 1.00 51.14 C HETATM 105 O DLY A 8 13.589 -6.465 -11.438 1.00 75.01 O HETATM 106 CB DLY A 8 12.634 -8.590 -9.102 1.00 3.50 C HETATM 107 CG DLY A 8 13.267 -8.496 -7.712 1.00 63.41 C HETATM 108 CD DLY A 8 14.239 -9.649 -7.474 1.00 73.34 C HETATM 109 CE DLY A 8 14.797 -9.643 -6.060 1.00 33.33 C HETATM 110 NZ DLY A 8 15.772 -10.731 -5.843 1.00 13.51 N HETATM 0 HZ2 DLY A 8 16.222 -10.839 -4.934 1.00 13.51 H new HETATM 0 HZ1 DLY A 8 15.995 -11.375 -6.602 1.00 13.51 H new HETATM 0 HG3 DLY A 8 13.792 -7.546 -7.611 1.00 63.41 H new HETATM 0 HG2 DLY A 8 12.486 -8.511 -6.951 1.00 63.41 H new HETATM 0 HE3 DLY A 8 15.275 -8.684 -5.864 1.00 33.33 H new HETATM 0 HE2 DLY A 8 13.978 -9.743 -5.347 1.00 33.33 H new HETATM 0 HD3 DLY A 8 13.731 -10.595 -7.659 1.00 73.34 H new HETATM 0 HD2 DLY A 8 15.060 -9.584 -8.188 1.00 73.34 H new HETATM 0 HB3 DLY A 8 11.907 -7.785 -9.208 1.00 3.50 H new HETATM 0 HB2 DLY A 8 12.083 -9.528 -9.170 1.00 3.50 H new HETATM 0 HA DLY A 8 14.486 -9.136 -10.031 1.00 4.13 H new HETATM 0 H DLY A 8 12.912 -8.374 -12.293 1.00 62.22 H new HETATM 124 N DLE A 9 15.069 -6.640 -9.754 1.00 1.53 N HETATM 125 CA DLE A 9 15.580 -5.266 -9.839 1.00 73.32 C HETATM 126 CB DLE A 9 16.692 -4.947 -8.774 1.00 31.21 C HETATM 127 CG DLE A 9 16.491 -5.302 -7.249 1.00 61.31 C HETATM 128 CD1 DLE A 9 15.158 -4.850 -6.657 1.00 43.52 C HETATM 129 CD2 DLE A 9 16.768 -6.764 -6.951 1.00 52.10 C HETATM 130 C DLE A 9 14.471 -4.222 -9.809 1.00 73.01 C HETATM 131 O DLE A 9 13.422 -4.449 -9.236 1.00 71.42 O HETATM 0 HD23 DLE A 9 16.090 -7.389 -7.533 1.00 52.10 H new HETATM 0 HD22 DLE A 9 17.798 -7.001 -7.217 1.00 52.10 H new HETATM 0 HD21 DLE A 9 16.615 -6.954 -5.889 1.00 52.10 H new HETATM 0 HD13 DLE A 9 15.071 -3.767 -6.741 1.00 43.52 H new HETATM 0 HD12 DLE A 9 14.340 -5.323 -7.200 1.00 43.52 H new HETATM 0 HD11 DLE A 9 15.110 -5.137 -5.607 1.00 43.52 H new HETATM 0 HG DLE A 9 17.247 -4.708 -6.736 1.00 61.31 H new HETATM 0 HB3 DLE A 9 17.600 -5.453 -9.101 1.00 31.21 H new HETATM 0 HB2 DLE A 9 16.886 -3.876 -8.828 1.00 31.21 H new HETATM 0 HA DLE A 9 16.058 -5.204 -10.817 1.00 73.32 H new HETATM 0 H DLE A 9 15.439 -7.279 -9.051 1.00 1.53 H new HETATM 143 N DCY A 10 14.718 -3.102 -10.421 1.00 63.15 N HETATM 144 CA DCY A 10 13.749 -2.060 -10.497 1.00 41.11 C HETATM 145 C DCY A 10 14.368 -0.765 -10.097 1.00 53.31 C HETATM 146 O DCY A 10 15.409 -0.368 -10.632 1.00 30.34 O HETATM 147 CB DCY A 10 13.175 -1.936 -11.908 1.00 43.32 C HETATM 148 SG DCY A 10 12.098 -0.482 -12.143 1.00 32.30 S HETATM 0 HB3 DCY A 10 13.998 -1.885 -12.621 1.00 43.32 H new HETATM 0 HB2 DCY A 10 12.608 -2.837 -12.139 1.00 43.32 H new HETATM 0 HA DCY A 10 12.934 -2.308 -9.816 1.00 41.11 H new HETATM 153 N DLY A 11 13.765 -0.128 -9.147 1.00 51.10 N HETATM 154 CA DLY A 11 14.200 1.167 -8.716 1.00 52.44 C HETATM 155 C DLY A 11 13.290 2.228 -9.320 1.00 42.23 C HETATM 156 O DLY A 11 13.683 3.384 -9.508 1.00 43.21 O HETATM 157 CB DLY A 11 14.180 1.245 -7.187 1.00 0.01 C HETATM 158 CG DLY A 11 12.812 0.958 -6.561 1.00 2.14 C HETATM 159 CD DLY A 11 12.796 1.180 -5.053 1.00 2.40 C HETATM 160 CE DLY A 11 12.955 2.654 -4.706 1.00 53.14 C HETATM 161 NZ DLY A 11 12.879 2.890 -3.254 1.00 23.03 N HETATM 0 HZ2 DLY A 11 12.971 3.837 -2.886 1.00 23.03 H new HETATM 0 HZ1 DLY A 11 12.735 2.107 -2.617 1.00 23.03 H new HETATM 0 HG3 DLY A 11 12.063 1.599 -7.026 1.00 2.14 H new HETATM 0 HG2 DLY A 11 12.528 -0.072 -6.775 1.00 2.14 H new HETATM 0 HE3 DLY A 11 13.913 3.014 -5.082 1.00 53.14 H new HETATM 0 HE2 DLY A 11 12.178 3.231 -5.208 1.00 53.14 H new HETATM 0 HD3 DLY A 11 11.860 0.806 -4.639 1.00 2.40 H new HETATM 0 HD2 DLY A 11 13.600 0.607 -4.591 1.00 2.40 H new HETATM 0 HB3 DLY A 11 14.905 0.535 -6.789 1.00 0.01 H new HETATM 0 HB2 DLY A 11 14.506 2.239 -6.881 1.00 0.01 H new HETATM 0 HA DLY A 11 15.222 1.342 -9.053 1.00 52.44 H new HETATM 175 N DGL A 12 12.086 1.806 -9.647 1.00 4.24 N HETATM 176 CA DGL A 12 11.050 2.645 -10.179 1.00 55.22 C HETATM 177 C DGL A 12 9.969 1.744 -10.753 1.00 23.30 C HETATM 178 O DGL A 12 9.554 0.792 -10.095 1.00 65.30 O HETATM 179 CB DGL A 12 10.473 3.525 -9.057 1.00 11.32 C HETATM 180 CG DGL A 12 9.248 4.332 -9.440 1.00 35.33 C HETATM 181 CD DGL A 12 8.741 5.176 -8.302 1.00 14.03 C HETATM 182 OE1 DGL A 12 8.128 4.632 -7.351 1.00 4.42 O HETATM 183 OE2 DGL A 12 8.953 6.410 -8.329 1.00 72.33 O HETATM 0 HG3 DGL A 12 9.489 4.975 -10.287 1.00 35.33 H new HETATM 0 HG2 DGL A 12 8.458 3.656 -9.768 1.00 35.33 H new HETATM 0 HE2 DGL A 12 8.381 6.855 -7.669 1.00 72.33 H new HETATM 0 HB3 DGL A 12 10.219 2.887 -8.210 1.00 11.32 H new HETATM 0 HB2 DGL A 12 11.250 4.211 -8.718 1.00 11.32 H new HETATM 0 HA DGL A 12 11.443 3.298 -10.958 1.00 55.22 H new HETATM 0 H DGL A 12 12.000 0.791 -9.703 1.00 4.24 H new HETATM 190 N DSG A 13 9.522 2.031 -11.963 1.00 73.32 N HETATM 191 CA DSG A 13 8.485 1.207 -12.609 1.00 15.34 C HETATM 192 C DSG A 13 7.198 1.227 -11.802 1.00 63.31 C HETATM 193 O DSG A 13 6.571 0.205 -11.607 1.00 71.33 O HETATM 194 CB DSG A 13 8.239 1.606 -14.083 1.00 33.24 C HETATM 195 CG DSG A 13 7.752 3.028 -14.267 1.00 32.12 C HETATM 196 OD1 DSG A 13 6.547 3.295 -14.259 1.00 63.03 O HETATM 197 ND2 DSG A 13 8.663 3.941 -14.447 1.00 64.15 N HETATM 0 HD22 DSG A 13 8.390 4.915 -14.576 1.00 64.15 H new HETATM 0 HD21 DSG A 13 9.649 3.682 -14.459 1.00 64.15 H new HETATM 0 HB3 DSG A 13 9.165 1.476 -14.643 1.00 33.24 H new HETATM 0 HB2 DSG A 13 7.507 0.924 -14.515 1.00 33.24 H new HETATM 0 HA DSG A 13 8.858 0.183 -12.629 1.00 15.34 H new HETATM 204 N DLY A 14 6.869 2.393 -11.286 1.00 61.41 N HETATM 205 CA DLY A 14 5.719 2.618 -10.424 1.00 30.54 C HETATM 206 C DLY A 14 5.850 1.808 -9.114 1.00 40.13 C HETATM 207 O DLY A 14 4.844 1.432 -8.488 1.00 41.33 O HETATM 208 CB DLY A 14 5.631 4.135 -10.147 1.00 22.24 C HETATM 209 CG DLY A 14 4.554 4.583 -9.181 1.00 75.21 C HETATM 210 CD DLY A 14 3.162 4.227 -9.650 1.00 74.31 C HETATM 211 CE DLY A 14 2.140 4.790 -8.690 1.00 53.52 C HETATM 212 NZ DLY A 14 0.767 4.423 -9.052 1.00 21.02 N HETATM 0 HZ2 DLY A 14 -0.014 4.743 -8.480 1.00 21.02 H new HETATM 0 HZ1 DLY A 14 0.593 3.847 -9.876 1.00 21.02 H new HETATM 0 HG3 DLY A 14 4.732 4.126 -8.208 1.00 75.21 H new HETATM 0 HG2 DLY A 14 4.621 5.662 -9.044 1.00 75.21 H new HETATM 0 HE3 DLY A 14 2.355 4.431 -7.684 1.00 53.52 H new HETATM 0 HE2 DLY A 14 2.228 5.876 -8.667 1.00 53.52 H new HETATM 0 HD3 DLY A 14 2.992 4.625 -10.651 1.00 74.31 H new HETATM 0 HD2 DLY A 14 3.056 3.144 -9.715 1.00 74.31 H new HETATM 0 HB3 DLY A 14 6.595 4.468 -9.762 1.00 22.24 H new HETATM 0 HB2 DLY A 14 5.473 4.647 -11.096 1.00 22.24 H new HETATM 0 HA DLY A 14 4.804 2.279 -10.910 1.00 30.54 H new HETATM 226 N DAS A 15 7.077 1.501 -8.738 1.00 10.13 N HETATM 227 CA DAS A 15 7.351 0.752 -7.520 1.00 4.14 C HETATM 228 C DAS A 15 7.180 -0.733 -7.778 1.00 54.54 C HETATM 229 O DAS A 15 6.871 -1.501 -6.882 1.00 13.10 O HETATM 230 CB DAS A 15 8.762 1.041 -7.000 1.00 61.25 C HETATM 231 CG DAS A 15 9.031 0.416 -5.652 1.00 70.44 C HETATM 232 OD1 DAS A 15 9.659 -0.630 -5.576 1.00 14.23 O HETATM 233 OD2 DAS A 15 8.596 0.997 -4.633 1.00 14.41 O HETATM 0 HD2 DAS A 15 8.624 0.383 -3.869 1.00 14.41 H new HETATM 0 HB3 DAS A 15 9.492 0.670 -7.719 1.00 61.25 H new HETATM 0 HB2 DAS A 15 8.904 2.119 -6.930 1.00 61.25 H new HETATM 0 HA DAS A 15 6.640 1.068 -6.756 1.00 4.14 H new HETATM 238 N DCY A 16 7.362 -1.128 -9.009 1.00 74.22 N HETATM 239 CA DCY A 16 7.176 -2.502 -9.383 1.00 64.35 C HETATM 240 C DCY A 16 5.693 -2.779 -9.641 1.00 65.30 C HETATM 241 O DCY A 16 4.983 -1.947 -10.209 1.00 31.44 O HETATM 242 CB DCY A 16 7.988 -2.836 -10.627 1.00 22.41 C HETATM 243 SG DCY A 16 9.742 -2.385 -10.514 1.00 4.24 S HETATM 0 HB3 DCY A 16 7.911 -3.906 -10.821 1.00 22.41 H new HETATM 0 HB2 DCY A 16 7.547 -2.325 -11.483 1.00 22.41 H new HETATM 0 HA DCY A 16 7.522 -3.131 -8.563 1.00 64.35 H new HETATM 248 N DCY A 17 5.240 -3.944 -9.226 1.00 34.22 N HETATM 249 CA DCY A 17 3.863 -4.393 -9.383 1.00 74.42 C HETATM 250 C DCY A 17 3.507 -4.407 -10.862 1.00 20.24 C HETATM 251 O DCY A 17 2.461 -3.928 -11.273 1.00 3.24 O HETATM 252 CB DCY A 17 3.734 -5.824 -8.843 1.00 62.51 C HETATM 253 SG DCY A 17 4.502 -6.122 -7.211 1.00 23.12 S HETATM 0 HB3 DCY A 17 2.675 -6.075 -8.778 1.00 62.51 H new HETATM 0 HB2 DCY A 17 4.180 -6.508 -9.565 1.00 62.51 H new HETATM 0 HA DCY A 17 3.198 -3.722 -8.840 1.00 74.42 H new HETATM 258 N DSN A 18 4.428 -4.926 -11.652 1.00 75.24 N HETATM 259 CA DSN A 18 4.276 -5.048 -13.077 1.00 33.01 C HETATM 260 C DSN A 18 4.278 -3.672 -13.768 1.00 51.20 C HETATM 261 O DSN A 18 3.612 -3.482 -14.797 1.00 24.13 O HETATM 262 CB DSN A 18 5.420 -5.917 -13.597 1.00 65.23 C HETATM 263 OG DSN A 18 5.406 -6.051 -14.996 1.00 2.02 O HETATM 0 HG DSN A 18 5.720 -6.946 -15.242 1.00 2.02 H new HETATM 0 HB3 DSN A 18 6.371 -5.483 -13.287 1.00 65.23 H new HETATM 0 HB2 DSN A 18 5.357 -6.905 -13.141 1.00 65.23 H new HETATM 0 HA DSN A 18 3.314 -5.508 -13.304 1.00 33.01 H new HETATM 269 N DLY A 19 5.007 -2.711 -13.178 1.00 22.14 N HETATM 270 CA DLY A 19 5.189 -1.357 -13.738 1.00 20.53 C HETATM 271 C DLY A 19 5.905 -1.354 -15.089 1.00 15.03 C HETATM 272 O DLY A 19 5.917 -0.340 -15.787 1.00 60.14 O HETATM 273 CB DLY A 19 3.861 -0.601 -13.819 1.00 22.04 C HETATM 274 CG DLY A 19 3.259 -0.287 -12.466 1.00 62.34 C HETATM 275 CD DLY A 19 1.849 0.260 -12.593 1.00 33.34 C HETATM 276 CE DLY A 19 1.809 1.592 -13.317 1.00 40.55 C HETATM 277 NZ DLY A 19 0.431 2.087 -13.468 1.00 22.40 N HETATM 0 HZ2 DLY A 19 0.257 2.975 -13.938 1.00 22.40 H new HETATM 0 HZ1 DLY A 19 -0.350 1.542 -13.103 1.00 22.40 H new HETATM 0 HG3 DLY A 19 3.246 -1.190 -11.855 1.00 62.34 H new HETATM 0 HG2 DLY A 19 3.886 0.439 -11.948 1.00 62.34 H new HETATM 0 HE3 DLY A 19 2.400 2.324 -12.766 1.00 40.55 H new HETATM 0 HE2 DLY A 19 2.268 1.486 -14.300 1.00 40.55 H new HETATM 0 HD3 DLY A 19 1.230 -0.460 -13.128 1.00 33.34 H new HETATM 0 HD2 DLY A 19 1.416 0.376 -11.599 1.00 33.34 H new HETATM 0 HB3 DLY A 19 4.015 0.330 -14.364 1.00 22.04 H new HETATM 0 HB2 DLY A 19 3.150 -1.193 -14.395 1.00 22.04 H new HETATM 0 HA DLY A 19 5.842 -0.831 -13.042 1.00 20.53 H new HETATM 291 N DLY A 20 6.512 -2.463 -15.446 1.00 43.42 N HETATM 292 CA DLY A 20 7.251 -2.553 -16.681 1.00 63.03 C HETATM 293 C DLY A 20 8.705 -2.820 -16.369 1.00 73.33 C HETATM 294 O DLY A 20 9.092 -3.953 -16.142 1.00 3.43 O HETATM 295 CB DLY A 20 6.711 -3.670 -17.597 1.00 24.44 C HETATM 296 CG DLY A 20 5.219 -3.586 -17.908 1.00 22.14 C HETATM 297 CD DLY A 20 4.803 -4.577 -18.999 1.00 62.22 C HETATM 298 CE DLY A 20 5.087 -6.038 -18.636 1.00 35.10 C HETATM 299 NZ DLY A 20 4.330 -6.509 -17.454 1.00 62.43 N HETATM 0 HZ2 DLY A 20 4.444 -7.468 -17.124 1.00 62.43 H new HETATM 0 HZ1 DLY A 20 3.695 -5.875 -16.969 1.00 62.43 H new HETATM 0 HG3 DLY A 20 4.648 -3.785 -17.001 1.00 22.14 H new HETATM 0 HG2 DLY A 20 4.971 -2.573 -18.225 1.00 22.14 H new HETATM 0 HE3 DLY A 20 4.843 -6.670 -19.490 1.00 35.10 H new HETATM 0 HE2 DLY A 20 6.154 -6.156 -18.446 1.00 35.10 H new HETATM 0 HD3 DLY A 20 3.738 -4.461 -19.198 1.00 62.22 H new HETATM 0 HD2 DLY A 20 5.328 -4.331 -19.922 1.00 62.22 H new HETATM 0 HB3 DLY A 20 7.264 -3.648 -18.536 1.00 24.44 H new HETATM 0 HB2 DLY A 20 6.915 -4.633 -17.129 1.00 24.44 H new HETATM 0 HA DLY A 20 7.138 -1.607 -17.210 1.00 63.03 H new HETATM 313 N DCY A 21 9.484 -1.790 -16.291 1.00 72.32 N HETATM 314 CA DCY A 21 10.895 -1.945 -16.015 1.00 32.33 C HETATM 315 C DCY A 21 11.681 -1.836 -17.269 1.00 74.21 C HETATM 316 O DCY A 21 11.732 -0.772 -17.891 1.00 51.12 O HETATM 317 CB DCY A 21 11.379 -0.926 -15.016 1.00 62.22 C HETATM 318 SG DCY A 21 10.639 -1.113 -13.391 1.00 50.44 S HETATM 0 HB3 DCY A 21 12.462 -1.004 -14.925 1.00 62.22 H new HETATM 0 HB2 DCY A 21 11.162 0.073 -15.393 1.00 62.22 H new HETATM 0 HA DCY A 21 11.039 -2.936 -15.584 1.00 32.33 H new HETATM 323 N DLY A 22 12.299 -2.909 -17.653 1.00 63.13 N HETATM 324 CA DLY A 22 13.037 -2.929 -18.868 1.00 62.42 C HETATM 325 C DLY A 22 14.442 -3.417 -18.633 1.00 11.32 C HETATM 326 O DLY A 22 14.750 -3.994 -17.585 1.00 2.33 O HETATM 327 CB DLY A 22 12.322 -3.752 -19.944 1.00 13.23 C HETATM 328 CG DLY A 22 10.906 -3.252 -20.241 1.00 45.01 C HETATM 329 CD DLY A 22 10.296 -3.919 -21.453 1.00 15.31 C HETATM 330 CE DLY A 22 11.014 -3.508 -22.727 1.00 73.43 C HETATM 331 NZ DLY A 22 10.423 -4.134 -23.921 1.00 43.42 N HETATM 0 HZ2 DLY A 22 10.812 -3.941 -24.844 1.00 43.42 H new HETATM 0 HZ1 DLY A 22 9.624 -4.761 -23.826 1.00 43.42 H new HETATM 0 HG3 DLY A 22 10.271 -3.433 -19.373 1.00 45.01 H new HETATM 0 HG2 DLY A 22 10.931 -2.174 -20.398 1.00 45.01 H new HETATM 0 HE3 DLY A 22 10.976 -2.424 -22.830 1.00 73.43 H new HETATM 0 HE2 DLY A 22 12.066 -3.785 -22.656 1.00 73.43 H new HETATM 0 HD3 DLY A 22 10.345 -5.002 -21.338 1.00 15.31 H new HETATM 0 HD2 DLY A 22 9.241 -3.653 -21.525 1.00 15.31 H new HETATM 0 HB3 DLY A 22 12.909 -3.727 -20.862 1.00 13.23 H new HETATM 0 HB2 DLY A 22 12.274 -4.793 -19.624 1.00 13.23 H new HETATM 0 HA DLY A 22 13.101 -1.906 -19.240 1.00 62.42 H new HETATM 345 N DAR A 23 15.268 -3.161 -19.587 1.00 32.11 N HETATM 346 CA DAR A 23 16.665 -3.481 -19.537 1.00 61.35 C HETATM 347 CB DAR A 23 17.463 -2.187 -19.772 1.00 63.51 C HETATM 348 CG DAR A 23 18.968 -2.334 -19.669 1.00 0.23 C HETATM 349 CD DAR A 23 19.691 -1.112 -20.223 1.00 11.30 C HETATM 350 NE DAR A 23 19.368 0.140 -19.521 1.00 62.42 N HETATM 351 CZ DAR A 23 19.227 1.341 -20.116 1.00 30.44 C HETATM 352 NH1 DAR A 23 19.232 1.433 -21.449 1.00 34.14 N HETATM 353 NH2 DAR A 23 19.078 2.440 -19.374 1.00 23.21 N HETATM 354 C DAR A 23 16.978 -4.452 -20.666 1.00 35.55 C HETATM 355 O DAR A 23 17.511 -5.553 -20.454 1.00 51.24 O HETATM 0 HH22 DAR A 23 18.971 3.349 -19.824 1.00 23.21 H new HETATM 0 HH21 DAR A 23 19.071 2.371 -18.356 1.00 23.21 H new HETATM 0 HH12 DAR A 23 19.125 2.343 -21.898 1.00 34.14 H new HETATM 0 HH11 DAR A 23 19.343 0.594 -22.018 1.00 34.14 H new HETATM 0 HG3 DAR A 23 19.249 -2.482 -18.626 1.00 0.23 H new HETATM 0 HG2 DAR A 23 19.285 -3.223 -20.214 1.00 0.23 H new HETATM 0 HE DAR A 23 19.242 0.096 -18.510 1.00 62.42 H new HETATM 0 HD3 DAR A 23 20.766 -1.282 -20.167 1.00 11.30 H new HETATM 0 HD2 DAR A 23 19.440 -1.001 -21.278 1.00 11.30 H new HETATM 0 HB3 DAR A 23 17.218 -1.802 -20.762 1.00 63.51 H new HETATM 0 HB2 DAR A 23 17.136 -1.440 -19.049 1.00 63.51 H new HETATM 0 HA DAR A 23 16.924 -3.922 -18.574 1.00 61.35 H new HETATM 369 N DAR A 24 16.580 -4.055 -21.861 1.00 34.13 N HETATM 370 CA DAR A 24 16.918 -4.760 -23.062 1.00 1.52 C HETATM 371 CB DAR A 24 16.582 -3.896 -24.275 1.00 33.13 C HETATM 372 CG DAR A 24 17.505 -4.098 -25.461 1.00 53.41 C HETATM 373 CD DAR A 24 18.923 -3.710 -25.078 1.00 24.25 C HETATM 374 NE DAR A 24 19.839 -3.672 -26.215 1.00 73.54 N HETATM 375 CZ DAR A 24 21.088 -3.204 -26.152 1.00 22.21 C HETATM 376 NH1 DAR A 24 21.598 -2.817 -24.987 1.00 11.10 N HETATM 377 NH2 DAR A 24 21.831 -3.145 -27.246 1.00 53.43 N HETATM 378 C DAR A 24 16.180 -6.082 -23.129 1.00 22.44 C HETATM 379 O DAR A 24 14.960 -6.145 -22.926 1.00 71.52 O HETATM 0 HH22 DAR A 24 22.785 -2.787 -27.196 1.00 53.43 H new HETATM 0 HH21 DAR A 24 21.450 -3.457 -28.139 1.00 53.43 H new HETATM 0 HH12 DAR A 24 22.552 -2.460 -24.941 1.00 11.10 H new HETATM 0 HH11 DAR A 24 21.035 -2.877 -24.139 1.00 11.10 H new HETATM 0 HG3 DAR A 24 17.477 -5.139 -25.783 1.00 53.41 H new HETATM 0 HG2 DAR A 24 17.168 -3.495 -26.304 1.00 53.41 H new HETATM 0 HE DAR A 24 19.504 -4.024 -27.112 1.00 73.54 H new HETATM 0 HD3 DAR A 24 18.908 -2.731 -24.600 1.00 24.25 H new HETATM 0 HD2 DAR A 24 19.300 -4.419 -24.341 1.00 24.25 H new HETATM 0 HB3 DAR A 24 15.559 -4.109 -24.586 1.00 33.13 H new HETATM 0 HB2 DAR A 24 16.614 -2.847 -23.979 1.00 33.13 H new HETATM 0 HA DAR A 24 17.987 -4.970 -23.061 1.00 1.52 H new HETATM 0 H DAR A 24 16.179 -3.119 -21.915 1.00 34.13 H new ATOM 393 N GLY A 25 16.914 -7.126 -23.386 1.00 31.03 N ATOM 394 CA GLY A 25 16.333 -8.430 -23.468 1.00 73.12 C ATOM 395 C GLY A 25 16.537 -9.214 -22.199 1.00 72.12 C ATOM 396 O GLY A 25 16.032 -10.329 -22.061 1.00 64.24 O ATOM 0 H GLY A 25 17.921 -7.096 -23.543 1.00 31.03 H new ATOM 0 HA2 GLY A 25 15.266 -8.340 -23.672 1.00 73.12 H new ATOM 0 HA3 GLY A 25 16.773 -8.972 -24.305 1.00 73.12 H new HETATM 400 N DTH A 26 17.232 -8.637 -21.242 1.00 1.54 N HETATM 401 CA DTH A 26 17.509 -9.345 -20.016 1.00 53.31 C HETATM 402 CB DTH A 26 16.353 -9.219 -18.953 1.00 31.12 C HETATM 403 CG2 DTH A 26 16.093 -7.769 -18.539 1.00 74.20 C HETATM 404 OG1 DTH A 26 15.135 -9.765 -19.508 1.00 24.52 O HETATM 405 C DTH A 26 18.890 -9.018 -19.418 1.00 43.33 C HETATM 406 O DTH A 26 19.714 -9.925 -19.245 1.00 42.25 O HETATM 0 HG23 DTH A 26 16.998 -7.348 -18.102 1.00 74.20 H new HETATM 0 HG22 DTH A 26 15.808 -7.186 -19.415 1.00 74.20 H new HETATM 0 HG21 DTH A 26 15.287 -7.739 -17.805 1.00 74.20 H new HETATM 0 HG1 DTH A 26 15.325 -10.167 -20.381 1.00 24.52 H new HETATM 0 HB DTH A 26 16.667 -9.770 -18.066 1.00 31.12 H new HETATM 0 HA DTH A 26 17.548 -10.396 -20.302 1.00 53.31 H new HETATM 414 N DSG A 27 19.168 -7.744 -19.155 1.00 65.13 N HETATM 415 CA DSG A 27 20.400 -7.349 -18.467 1.00 32.14 C HETATM 416 C DSG A 27 20.778 -5.935 -18.850 1.00 65.14 C HETATM 417 O DSG A 27 20.179 -5.346 -19.732 1.00 22.32 O HETATM 418 CB DSG A 27 20.233 -7.424 -16.916 1.00 44.32 C HETATM 419 CG DSG A 27 20.116 -8.839 -16.352 1.00 45.11 C HETATM 420 OD1 DSG A 27 19.013 -9.395 -16.232 1.00 72.41 O HETATM 421 ND2 DSG A 27 21.229 -9.430 -16.005 1.00 3.32 N HETATM 0 HD22 DSG A 27 21.207 -10.375 -15.623 1.00 3.32 H new HETATM 0 HD21 DSG A 27 22.120 -8.946 -16.116 1.00 3.32 H new HETATM 0 HB3 DSG A 27 21.085 -6.931 -16.449 1.00 44.32 H new HETATM 0 HB2 DSG A 27 19.344 -6.860 -16.633 1.00 44.32 H new HETATM 0 HA DSG A 27 21.184 -8.042 -18.771 1.00 32.14 H new HETATM 0 H DSG A 27 18.703 -7.090 -19.784 1.00 65.13 H new HETATM 428 N DIL A 28 21.770 -5.395 -18.189 1.00 20.50 N HETATM 429 CA DIL A 28 22.206 -4.021 -18.406 1.00 11.11 C HETATM 430 C DIL A 28 21.614 -3.137 -17.274 1.00 14.21 C HETATM 431 O DIL A 28 21.998 -1.972 -17.057 1.00 51.11 O HETATM 432 CB DIL A 28 23.766 -3.955 -18.418 1.00 53.11 C HETATM 433 CG1 DIL A 28 24.354 -4.222 -17.013 1.00 32.41 C HETATM 434 CG2 DIL A 28 24.270 -2.646 -19.012 1.00 33.30 C HETATM 435 CD1 DIL A 28 25.865 -4.314 -16.976 1.00 13.01 C HETATM 0 HG23 DIL A 28 23.915 -2.552 -20.038 1.00 33.30 H new HETATM 0 HG22 DIL A 28 23.896 -1.810 -18.421 1.00 33.30 H new HETATM 0 HG21 DIL A 28 25.360 -2.638 -19.003 1.00 33.30 H new HETATM 0 HG13 DIL A 28 24.034 -3.426 -16.341 1.00 32.41 H new HETATM 0 HG12 DIL A 28 23.936 -5.152 -16.628 1.00 32.41 H new HETATM 0 HD13 DIL A 28 26.196 -5.129 -17.620 1.00 13.01 H new HETATM 0 HD12 DIL A 28 26.295 -3.376 -17.328 1.00 13.01 H new HETATM 0 HD11 DIL A 28 26.193 -4.503 -15.954 1.00 13.01 H new HETATM 0 HB DIL A 28 24.122 -4.753 -19.070 1.00 53.11 H new HETATM 0 HA DIL A 28 21.853 -3.654 -19.370 1.00 11.11 H new HETATM 447 N DGL A 29 20.648 -3.703 -16.589 1.00 21.31 N HETATM 448 CA DGL A 29 20.007 -3.079 -15.466 1.00 44.45 C HETATM 449 C DGL A 29 18.515 -3.077 -15.701 1.00 21.31 C HETATM 450 O DGL A 29 17.988 -3.994 -16.337 1.00 22.11 O HETATM 451 CB DGL A 29 20.311 -3.875 -14.196 1.00 24.51 C HETATM 452 CG DGL A 29 21.790 -4.065 -13.935 1.00 53.04 C HETATM 453 CD DGL A 29 22.063 -4.905 -12.728 1.00 63.44 C HETATM 454 OE1 DGL A 29 21.901 -6.130 -12.794 1.00 65.42 O HETATM 455 OE2 DGL A 29 22.508 -4.360 -11.696 1.00 71.43 O HETATM 0 HG3 DGL A 29 22.251 -4.529 -14.807 1.00 53.04 H new HETATM 0 HG2 DGL A 29 22.260 -3.090 -13.807 1.00 53.04 H new HETATM 0 HE2 DGL A 29 22.458 -4.989 -10.946 1.00 71.43 H new HETATM 0 HB3 DGL A 29 19.863 -3.365 -13.343 1.00 24.51 H new HETATM 0 HB2 DGL A 29 19.835 -4.853 -14.269 1.00 24.51 H new HETATM 0 HA DGL A 29 20.373 -2.059 -15.351 1.00 44.45 H new HETATM 462 N DLY A 30 17.856 -2.056 -15.222 1.00 53.43 N HETATM 463 CA DLY A 30 16.421 -1.951 -15.307 1.00 30.02 C HETATM 464 C DLY A 30 15.805 -2.919 -14.309 1.00 33.11 C HETATM 465 O DLY A 30 16.013 -2.793 -13.095 1.00 3.14 O HETATM 466 CB DLY A 30 15.981 -0.511 -14.982 1.00 23.20 C HETATM 467 CG DLY A 30 16.461 0.545 -15.984 1.00 65.04 C HETATM 468 CD DLY A 30 15.588 0.624 -17.244 1.00 45.32 C HETATM 469 CE DLY A 30 14.239 1.291 -16.944 1.00 55.23 C HETATM 470 NZ DLY A 30 13.398 1.457 -18.157 1.00 64.41 N HETATM 0 HZ2 DLY A 30 12.477 1.889 -18.084 1.00 64.41 H new HETATM 0 HZ1 DLY A 30 13.742 1.139 -19.063 1.00 64.41 H new HETATM 0 HG3 DLY A 30 16.473 1.520 -15.497 1.00 65.04 H new HETATM 0 HG2 DLY A 30 17.487 0.321 -16.274 1.00 65.04 H new HETATM 0 HE3 DLY A 30 13.698 0.693 -16.211 1.00 55.23 H new HETATM 0 HE2 DLY A 30 14.414 2.267 -16.492 1.00 55.23 H new HETATM 0 HD3 DLY A 30 16.111 1.187 -18.017 1.00 45.32 H new HETATM 0 HD2 DLY A 30 15.421 -0.379 -17.637 1.00 45.32 H new HETATM 0 HB3 DLY A 30 14.892 -0.480 -14.935 1.00 23.20 H new HETATM 0 HB2 DLY A 30 16.351 -0.247 -13.991 1.00 23.20 H new HETATM 0 HA DLY A 30 16.089 -2.197 -16.316 1.00 30.02 H new HETATM 484 N DAR A 31 15.108 -3.897 -14.809 1.00 72.23 N HETATM 485 CA DAR A 31 14.454 -4.870 -13.974 1.00 10.11 C HETATM 486 CB DAR A 31 14.980 -6.295 -14.256 1.00 71.12 C HETATM 487 CG DAR A 31 16.488 -6.461 -14.144 1.00 21.23 C HETATM 488 CD DAR A 31 16.915 -7.910 -14.367 1.00 63.54 C HETATM 489 NE DAR A 31 16.640 -8.793 -13.215 1.00 42.03 N HETATM 490 CZ DAR A 31 17.046 -10.086 -13.128 1.00 15.55 C HETATM 491 NH1 DAR A 31 17.782 -10.626 -14.091 1.00 64.14 N HETATM 492 NH2 DAR A 31 16.750 -10.806 -12.057 1.00 52.23 N HETATM 493 C DAR A 31 12.980 -4.824 -14.278 1.00 34.53 C HETATM 494 O DAR A 31 12.600 -4.604 -15.436 1.00 4.22 O HETATM 0 HH22 DAR A 31 17.056 -11.777 -11.995 1.00 52.23 H new HETATM 0 HH21 DAR A 31 16.216 -10.390 -11.294 1.00 52.23 H new HETATM 0 HH12 DAR A 31 18.083 -11.598 -14.019 1.00 64.14 H new HETATM 0 HH11 DAR A 31 18.047 -10.069 -14.904 1.00 64.14 H new HETATM 0 HG3 DAR A 31 16.980 -5.820 -14.876 1.00 21.23 H new HETATM 0 HG2 DAR A 31 16.818 -6.132 -13.159 1.00 21.23 H new HETATM 0 HE DAR A 31 16.110 -8.406 -12.434 1.00 42.03 H new HETATM 0 HD3 DAR A 31 16.400 -8.301 -15.244 1.00 63.54 H new HETATM 0 HD2 DAR A 31 17.982 -7.935 -14.587 1.00 63.54 H new HETATM 0 HB3 DAR A 31 14.502 -6.986 -13.562 1.00 71.12 H new HETATM 0 HB2 DAR A 31 14.672 -6.587 -15.260 1.00 71.12 H new HETATM 0 HA DAR A 31 14.654 -4.636 -12.928 1.00 10.11 H new HETATM 508 N DCY A 32 12.157 -4.990 -13.278 1.00 3.42 N HETATM 509 CA DCY A 32 10.736 -5.037 -13.496 1.00 73.43 C HETATM 510 C DCY A 32 10.484 -6.383 -14.111 1.00 23.32 C HETATM 511 O DCY A 32 11.028 -7.368 -13.613 1.00 35.44 O HETATM 512 CB DCY A 32 9.964 -4.995 -12.167 1.00 44.42 C HETATM 513 SG DCY A 32 10.784 -4.109 -10.806 1.00 55.12 S HETATM 0 HB3 DCY A 32 8.994 -4.531 -12.346 1.00 44.42 H new HETATM 0 HB2 DCY A 32 9.773 -6.019 -11.846 1.00 44.42 H new HETATM 0 HA DCY A 32 10.415 -4.193 -14.107 1.00 73.43 H new HETATM 518 N DAR A 33 9.763 -6.440 -15.197 1.00 44.13 N HETATM 519 CA DAR A 33 9.417 -7.690 -15.819 1.00 31.22 C HETATM 520 CB DAR A 33 10.197 -7.938 -17.105 1.00 3.15 C HETATM 521 CG DAR A 33 11.700 -7.811 -17.033 1.00 42.32 C HETATM 522 CD DAR A 33 12.320 -8.267 -18.345 1.00 11.51 C HETATM 523 NE DAR A 33 11.643 -7.685 -19.523 1.00 62.12 N HETATM 524 CZ DAR A 33 12.070 -7.768 -20.777 1.00 14.43 C HETATM 525 NH1 DAR A 33 13.256 -8.306 -21.058 1.00 74.32 N HETATM 526 NH2 DAR A 33 11.305 -7.322 -21.754 1.00 44.44 N HETATM 527 C DAR A 33 7.957 -7.627 -16.174 1.00 15.42 C HETATM 528 O DAR A 33 7.129 -7.946 -15.328 1.00 15.22 O HETATM 529 OXT DAR A 33 7.626 -7.217 -17.304 1.00 0.00 O HETATM 0 HH22 DAR A 33 11.625 -7.382 -22.721 1.00 44.44 H new HETATM 0 HH21 DAR A 33 10.393 -6.917 -21.543 1.00 44.44 H new HETATM 0 HH12 DAR A 33 13.573 -8.364 -22.026 1.00 74.32 H new HETATM 0 HH11 DAR A 33 13.847 -8.660 -20.305 1.00 74.32 H new HETATM 0 HXT DAR A 33 7.132 -7.920 -17.775 1.00 0.00 H new HETATM 0 HG3 DAR A 33 11.977 -6.777 -16.830 1.00 42.32 H new HETATM 0 HG2 DAR A 33 12.086 -8.412 -16.210 1.00 42.32 H new HETATM 0 HE DAR A 33 10.774 -7.177 -19.358 1.00 62.12 H new HETATM 0 HD3 DAR A 33 13.374 -7.989 -18.361 1.00 11.51 H new HETATM 0 HD2 DAR A 33 12.276 -9.354 -18.405 1.00 11.51 H new HETATM 0 HB3 DAR A 33 9.959 -8.942 -17.457 1.00 3.15 H new HETATM 0 HB2 DAR A 33 9.834 -7.241 -17.860 1.00 3.15 H new HETATM 0 HA DAR A 33 9.652 -8.495 -15.123 1.00 31.22 H new TER 543 DAR A 33