USER MOD reduce.3.24.130724 H: found=0, std=0, add=253, rem=0, adj=6 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 2 DAS H : 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 6 DHI H : 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 8 DLY H : 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 HE2 : A 12 DGL OE2 : A 12 DGL CD :(short bond) 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 HD2 : A 15 DAS OD2 : A 15 DAS CG :(short bond) 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 23 DAR H2 : 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 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+ -137:sc= 0.122 (180deg=0) USER MOD Single : A 2 DAS OD2 : rot 179:sc= 0 USER MOD Single : A 18 DSN OG : rot -102:sc= 0.293 USER MOD Single : A 26 DTH OG1 : rot 180:sc= 0 USER MOD Single : A 29 DGL OE2 : rot 167:sc= 0.647 USER MOD Single : A 33 DAR OXT : rot 167:sc= 1.02 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.627 -1.460 -0.246 1.00 63.02 N ATOM 2 CA GLY A 1 8.335 -1.616 0.419 1.00 64.12 C ATOM 3 C GLY A 1 7.452 -2.534 -0.360 1.00 20.13 C ATOM 4 O GLY A 1 7.963 -3.347 -1.145 1.00 12.55 O ATOM 0 H1 GLY A 1 10.389 -1.502 0.461 1.00 63.02 H new ATOM 0 H2 GLY A 1 9.755 -2.225 -0.939 1.00 63.02 H new ATOM 0 H3 GLY A 1 9.658 -0.542 -0.733 1.00 63.02 H new ATOM 0 HA2 GLY A 1 8.482 -2.010 1.424 1.00 64.12 H new ATOM 0 HA3 GLY A 1 7.855 -0.643 0.525 1.00 64.12 H new HETATM 10 N DAS A 2 6.135 -2.405 -0.150 1.00 72.14 N HETATM 11 CA DAS A 2 5.089 -3.171 -0.864 1.00 22.42 C HETATM 12 C DAS A 2 5.096 -2.805 -2.337 1.00 53.43 C HETATM 13 O DAS A 2 4.390 -1.887 -2.765 1.00 34.52 O HETATM 14 CB DAS A 2 5.209 -4.719 -0.686 1.00 23.21 C HETATM 15 CG DAS A 2 5.020 -5.205 0.735 1.00 43.40 C HETATM 16 OD1 DAS A 2 5.997 -5.248 1.497 1.00 72.24 O HETATM 17 OD2 DAS A 2 3.885 -5.567 1.117 1.00 71.11 O HETATM 0 HD2 DAS A 2 3.933 -5.862 2.050 1.00 71.11 H new HETATM 0 HB3 DAS A 2 4.469 -5.203 -1.323 1.00 23.21 H new HETATM 0 HB2 DAS A 2 6.190 -5.037 -1.038 1.00 23.21 H new HETATM 0 HA DAS A 2 4.137 -2.891 -0.412 1.00 22.42 H new HETATM 22 N DCY A 3 5.934 -3.492 -3.072 1.00 62.14 N HETATM 23 CA DCY A 3 6.174 -3.291 -4.472 1.00 23.34 C HETATM 24 C DCY A 3 7.195 -4.329 -4.898 1.00 0.31 C HETATM 25 O DCY A 3 7.245 -5.410 -4.310 1.00 21.24 O HETATM 26 CB DCY A 3 4.871 -3.387 -5.318 1.00 54.02 C HETATM 27 SG DCY A 3 3.954 -4.970 -5.227 1.00 25.10 S HETATM 0 HB3 DCY A 3 4.201 -2.586 -5.005 1.00 54.02 H new HETATM 0 HB2 DCY A 3 5.127 -3.200 -6.361 1.00 54.02 H new HETATM 0 HA DCY A 3 6.551 -2.283 -4.644 1.00 23.34 H new HETATM 0 H DCY A 3 6.425 -4.233 -2.572 1.00 62.14 H new HETATM 32 N DLE A 4 8.055 -3.993 -5.828 1.00 73.12 N HETATM 33 CA DLE A 4 9.058 -4.945 -6.321 1.00 41.33 C HETATM 34 CB DLE A 4 10.234 -4.239 -7.030 1.00 21.14 C HETATM 35 CG DLE A 4 11.213 -3.385 -6.189 1.00 32.41 C HETATM 36 CD1 DLE A 4 12.303 -2.838 -7.083 1.00 75.41 C HETATM 37 CD2 DLE A 4 10.519 -2.229 -5.491 1.00 54.43 C HETATM 38 C DLE A 4 8.396 -5.939 -7.284 1.00 74.43 C HETATM 39 O DLE A 4 7.581 -5.534 -8.117 1.00 4.30 O HETATM 0 HD23 DLE A 4 10.058 -1.579 -6.235 1.00 54.43 H new HETATM 0 HD22 DLE A 4 9.750 -2.616 -4.822 1.00 54.43 H new HETATM 0 HD21 DLE A 4 11.249 -1.661 -4.914 1.00 54.43 H new HETATM 0 HD13 DLE A 4 12.845 -3.664 -7.543 1.00 75.41 H new HETATM 0 HD12 DLE A 4 11.858 -2.218 -7.862 1.00 75.41 H new HETATM 0 HD11 DLE A 4 12.992 -2.237 -6.490 1.00 75.41 H new HETATM 0 HG DLE A 4 11.633 -4.035 -5.421 1.00 32.41 H new HETATM 0 HB3 DLE A 4 10.819 -5.005 -7.539 1.00 21.14 H new HETATM 0 HB2 DLE A 4 9.814 -3.594 -7.802 1.00 21.14 H new HETATM 0 HA DLE A 4 9.464 -5.471 -5.457 1.00 41.33 H new HETATM 0 H DLE A 4 8.187 -2.992 -5.974 1.00 73.12 H new HETATM 51 N DPR A 5 8.724 -7.231 -7.211 1.00 11.24 N HETATM 52 CA DPR A 5 8.080 -8.241 -8.034 1.00 64.32 C HETATM 53 CB DPR A 5 8.301 -9.548 -7.254 1.00 62.23 C HETATM 54 CG DPR A 5 9.304 -9.239 -6.171 1.00 23.42 C HETATM 55 CD DPR A 5 9.771 -7.820 -6.365 1.00 11.34 C HETATM 56 C DPR A 5 8.693 -8.347 -9.439 1.00 1.41 C HETATM 57 O DPR A 5 9.745 -7.763 -9.724 1.00 11.14 O HETATM 0 HG3 DPR A 5 8.852 -9.361 -5.186 1.00 23.42 H new HETATM 0 HG2 DPR A 5 10.147 -9.929 -6.223 1.00 23.42 H new HETATM 0 HD3 DPR A 5 10.747 -7.781 -6.848 1.00 11.34 H new HETATM 0 HD2 DPR A 5 9.864 -7.294 -5.415 1.00 11.34 H new HETATM 0 HB3 DPR A 5 7.365 -9.906 -6.825 1.00 62.23 H new HETATM 0 HB2 DPR A 5 8.671 -10.334 -7.912 1.00 62.23 H new HETATM 0 HA DPR A 5 7.030 -8.003 -8.203 1.00 64.32 H new HETATM 65 N DHI A 6 8.010 -9.071 -10.316 1.00 3.13 N HETATM 66 CA DHI A 6 8.506 -9.306 -11.672 1.00 12.35 C HETATM 67 C DHI A 6 9.726 -10.231 -11.629 1.00 22.41 C HETATM 68 O DHI A 6 9.810 -11.108 -10.754 1.00 21.52 O HETATM 69 CB DHI A 6 7.409 -9.894 -12.617 1.00 70.24 C HETATM 70 CG DHI A 6 7.001 -11.329 -12.346 1.00 3.12 C HETATM 71 ND1 DHI A 6 7.209 -12.359 -13.246 1.00 62.14 N HETATM 72 CD2 DHI A 6 6.391 -11.895 -11.281 1.00 32.22 C HETATM 73 CE1 DHI A 6 6.751 -13.478 -12.739 1.00 14.50 C HETATM 74 NE2 DHI A 6 6.249 -13.226 -11.553 1.00 52.22 N HETATM 0 HE2 DHI A 6 5.821 -13.914 -10.933 1.00 52.22 H new HETATM 0 HE1 DHI A 6 6.782 -14.455 -13.222 1.00 14.50 H new HETATM 0 HD2 DHI A 6 6.071 -11.384 -10.373 1.00 32.22 H new HETATM 0 HD1 DHI A 6 7.650 -12.263 -14.161 1.00 62.14 H new HETATM 0 HB3 DHI A 6 6.522 -9.265 -12.547 1.00 70.24 H new HETATM 0 HB2 DHI A 6 7.767 -9.826 -13.644 1.00 70.24 H new HETATM 0 HA DHI A 6 8.794 -8.339 -12.085 1.00 12.35 H new HETATM 83 N DLE A 7 10.664 -9.999 -12.550 1.00 1.21 N HETATM 84 CA DLE A 7 11.911 -10.769 -12.682 1.00 10.13 C HETATM 85 CB DLE A 7 11.670 -12.300 -12.756 1.00 61.31 C HETATM 86 CG DLE A 7 11.331 -12.895 -14.143 1.00 52.10 C HETATM 87 CD1 DLE A 7 10.867 -14.332 -14.022 1.00 41.51 C HETATM 88 CD2 DLE A 7 10.332 -12.049 -14.921 1.00 44.35 C HETATM 89 C DLE A 7 12.884 -10.380 -11.597 1.00 20.13 C HETATM 90 O DLE A 7 13.789 -11.149 -11.230 1.00 41.23 O HETATM 0 HD23 DLE A 7 9.403 -11.972 -14.356 1.00 44.35 H new HETATM 0 HD22 DLE A 7 10.744 -11.052 -15.079 1.00 44.35 H new HETATM 0 HD21 DLE A 7 10.133 -12.516 -15.885 1.00 44.35 H new HETATM 0 HD13 DLE A 7 11.656 -14.932 -13.569 1.00 41.51 H new HETATM 0 HD12 DLE A 7 9.975 -14.375 -13.397 1.00 41.51 H new HETATM 0 HD11 DLE A 7 10.636 -14.724 -15.012 1.00 41.51 H new HETATM 0 HG DLE A 7 12.255 -12.885 -14.722 1.00 52.10 H new HETATM 0 HB3 DLE A 7 12.563 -12.801 -12.382 1.00 61.31 H new HETATM 0 HB2 DLE A 7 10.857 -12.547 -12.074 1.00 61.31 H new HETATM 0 HA DLE A 7 12.361 -10.510 -13.640 1.00 10.13 H new HETATM 102 N DLY A 8 12.711 -9.163 -11.113 1.00 43.31 N HETATM 103 CA DLY A 8 13.585 -8.575 -10.114 1.00 60.52 C HETATM 104 C DLY A 8 14.073 -7.239 -10.610 1.00 3.43 C HETATM 105 O DLY A 8 13.754 -6.840 -11.720 1.00 41.41 O HETATM 106 CB DLY A 8 12.908 -8.404 -8.729 1.00 33.24 C HETATM 107 CG DLY A 8 12.862 -9.652 -7.848 1.00 24.22 C HETATM 108 CD DLY A 8 11.995 -10.749 -8.427 1.00 43.11 C HETATM 109 CE DLY A 8 12.032 -12.000 -7.585 1.00 14.24 C HETATM 110 NZ DLY A 8 11.239 -13.082 -8.194 1.00 70.44 N HETATM 0 HZ2 DLY A 8 11.174 -13.989 -7.732 1.00 70.44 H new HETATM 0 HZ1 DLY A 8 10.755 -12.924 -9.078 1.00 70.44 H new HETATM 0 HG3 DLY A 8 13.875 -10.031 -7.710 1.00 24.22 H new HETATM 0 HG2 DLY A 8 12.486 -9.381 -6.862 1.00 24.22 H new HETATM 0 HE3 DLY A 8 13.064 -12.328 -7.463 1.00 14.24 H new HETATM 0 HE2 DLY A 8 11.647 -11.781 -6.589 1.00 14.24 H new HETATM 0 HD3 DLY A 8 10.967 -10.395 -8.506 1.00 43.11 H new HETATM 0 HD2 DLY A 8 12.331 -10.982 -9.438 1.00 43.11 H new HETATM 0 HB3 DLY A 8 13.432 -7.618 -8.185 1.00 33.24 H new HETATM 0 HB2 DLY A 8 11.887 -8.056 -8.886 1.00 33.24 H new HETATM 0 HA DLY A 8 14.417 -9.264 -9.969 1.00 60.52 H new HETATM 124 N DLE A 9 14.854 -6.579 -9.799 1.00 62.33 N HETATM 125 CA DLE A 9 15.376 -5.252 -10.088 1.00 42.23 C HETATM 126 CB DLE A 9 16.466 -4.854 -9.060 1.00 63.43 C HETATM 127 CG DLE A 9 16.324 -5.368 -7.600 1.00 72.24 C HETATM 128 CD1 DLE A 9 17.465 -4.862 -6.746 1.00 62.40 C HETATM 129 CD2 DLE A 9 14.991 -5.007 -6.962 1.00 32.15 C HETATM 130 C DLE A 9 14.279 -4.178 -10.217 1.00 23.43 C HETATM 131 O DLE A 9 13.121 -4.421 -9.906 1.00 25.02 O HETATM 0 HD23 DLE A 9 14.880 -3.923 -6.940 1.00 32.15 H new HETATM 0 HD22 DLE A 9 14.179 -5.443 -7.544 1.00 32.15 H new HETATM 0 HD21 DLE A 9 14.958 -5.396 -5.944 1.00 32.15 H new HETATM 0 HD13 DLE A 9 18.411 -5.217 -7.155 1.00 62.40 H new HETATM 0 HD12 DLE A 9 17.459 -3.772 -6.739 1.00 62.40 H new HETATM 0 HD11 DLE A 9 17.349 -5.232 -5.727 1.00 62.40 H new HETATM 0 HG DLE A 9 16.361 -6.456 -7.654 1.00 72.24 H new HETATM 0 HB3 DLE A 9 17.426 -5.200 -9.443 1.00 63.43 H new HETATM 0 HB2 DLE A 9 16.510 -3.765 -9.027 1.00 63.43 H new HETATM 0 HA DLE A 9 15.841 -5.305 -11.072 1.00 42.23 H new HETATM 0 H DLE A 9 15.215 -7.107 -9.005 1.00 62.33 H new HETATM 143 N DCY A 10 14.664 -3.012 -10.684 1.00 60.11 N HETATM 144 CA DCY A 10 13.754 -1.914 -10.890 1.00 23.00 C HETATM 145 C DCY A 10 14.185 -0.726 -10.109 1.00 70.20 C HETATM 146 O DCY A 10 15.330 -0.272 -10.209 1.00 2.42 O HETATM 147 CB DCY A 10 13.638 -1.553 -12.380 1.00 53.25 C HETATM 148 SG DCY A 10 12.762 0.026 -12.762 1.00 72.14 S HETATM 0 HB3 DCY A 10 14.642 -1.499 -12.800 1.00 53.25 H new HETATM 0 HB2 DCY A 10 13.122 -2.365 -12.891 1.00 53.25 H new HETATM 0 HA DCY A 10 12.771 -2.230 -10.541 1.00 23.00 H new HETATM 153 N DLY A 11 13.301 -0.259 -9.300 1.00 1.31 N HETATM 154 CA DLY A 11 13.518 0.933 -8.550 1.00 30.13 C HETATM 155 C DLY A 11 12.816 2.050 -9.305 1.00 65.33 C HETATM 156 O DLY A 11 13.368 3.135 -9.535 1.00 22.11 O HETATM 157 CB DLY A 11 12.934 0.741 -7.153 1.00 23.44 C HETATM 158 CG DLY A 11 13.247 1.847 -6.158 1.00 71.41 C HETATM 159 CD DLY A 11 14.736 1.943 -5.918 1.00 3.53 C HETATM 160 CE DLY A 11 15.093 3.015 -4.910 1.00 41.24 C HETATM 161 NZ DLY A 11 16.554 3.095 -4.709 1.00 40.14 N HETATM 0 HZ2 DLY A 11 16.942 3.775 -4.055 1.00 40.14 H new HETATM 0 HZ1 DLY A 11 17.175 2.470 -5.224 1.00 40.14 H new HETATM 0 HG3 DLY A 11 12.872 2.799 -6.535 1.00 71.41 H new HETATM 0 HG2 DLY A 11 12.734 1.652 -5.216 1.00 71.41 H new HETATM 0 HE3 DLY A 11 14.717 3.979 -5.252 1.00 41.24 H new HETATM 0 HE2 DLY A 11 14.604 2.801 -3.960 1.00 41.24 H new HETATM 0 HD3 DLY A 11 15.107 0.980 -5.566 1.00 3.53 H new HETATM 0 HD2 DLY A 11 15.240 2.153 -6.861 1.00 3.53 H new HETATM 0 HB3 DLY A 11 11.851 0.649 -7.240 1.00 23.44 H new HETATM 0 HB2 DLY A 11 13.303 -0.202 -6.750 1.00 23.44 H new HETATM 0 HA DLY A 11 14.575 1.174 -8.436 1.00 30.13 H new HETATM 175 N DGL A 12 11.627 1.725 -9.735 1.00 72.11 N HETATM 176 CA DGL A 12 10.766 2.545 -10.535 1.00 40.40 C HETATM 177 C DGL A 12 9.678 1.623 -10.983 1.00 62.43 C HETATM 178 O DGL A 12 9.293 0.734 -10.211 1.00 63.31 O HETATM 179 CB DGL A 12 10.177 3.715 -9.736 1.00 11.23 C HETATM 180 CG DGL A 12 9.234 4.592 -10.547 1.00 61.33 C HETATM 181 CD DGL A 12 8.740 5.776 -9.774 1.00 61.25 C HETATM 182 OE1 DGL A 12 7.651 5.705 -9.206 1.00 63.21 O HETATM 183 OE2 DGL A 12 9.430 6.811 -9.740 1.00 53.14 O HETATM 0 HG3 DGL A 12 9.747 4.937 -11.445 1.00 61.33 H new HETATM 0 HG2 DGL A 12 8.382 3.996 -10.876 1.00 61.33 H new HETATM 0 HB3 DGL A 12 9.641 3.321 -8.872 1.00 11.23 H new HETATM 0 HB2 DGL A 12 10.992 4.329 -9.353 1.00 11.23 H new HETATM 0 HA DGL A 12 11.309 2.999 -11.364 1.00 40.40 H new HETATM 0 H DGL A 12 11.407 0.739 -9.596 1.00 72.11 H new HETATM 190 N DSG A 13 9.183 1.800 -12.194 1.00 70.12 N HETATM 191 CA DSG A 13 8.183 0.888 -12.729 1.00 1.11 C HETATM 192 C DSG A 13 6.950 0.822 -11.830 1.00 62.01 C HETATM 193 O DSG A 13 6.500 -0.253 -11.481 1.00 3.53 O HETATM 194 CB DSG A 13 7.797 1.210 -14.194 1.00 50.12 C HETATM 195 CG DSG A 13 7.000 2.489 -14.396 1.00 72.52 C HETATM 196 OD1 DSG A 13 7.131 3.458 -13.650 1.00 75.50 O HETATM 197 ND2 DSG A 13 6.175 2.498 -15.395 1.00 3.11 N HETATM 0 HD22 DSG A 13 5.611 3.327 -15.583 1.00 3.11 H new HETATM 0 HD21 DSG A 13 6.089 1.676 -15.993 1.00 3.11 H new HETATM 0 HB3 DSG A 13 8.710 1.274 -14.786 1.00 50.12 H new HETATM 0 HB2 DSG A 13 7.218 0.376 -14.590 1.00 50.12 H new HETATM 0 HA DSG A 13 8.644 -0.100 -12.742 1.00 1.11 H new HETATM 204 N DLY A 14 6.482 1.982 -11.388 1.00 74.44 N HETATM 205 CA DLY A 14 5.295 2.092 -10.561 1.00 74.02 C HETATM 206 C DLY A 14 5.538 1.516 -9.174 1.00 53.14 C HETATM 207 O DLY A 14 4.615 1.027 -8.532 1.00 63.24 O HETATM 208 CB DLY A 14 4.858 3.555 -10.457 1.00 3.34 C HETATM 209 CG DLY A 14 3.523 3.758 -9.740 1.00 21.55 C HETATM 210 CD DLY A 14 3.188 5.229 -9.558 1.00 2.25 C HETATM 211 CE DLY A 14 3.127 5.976 -10.882 1.00 51.13 C HETATM 212 NZ DLY A 14 2.819 7.401 -10.693 1.00 25.42 N HETATM 0 HZ2 DLY A 14 2.748 8.019 -11.501 1.00 25.42 H new HETATM 0 HZ1 DLY A 14 2.676 7.772 -9.754 1.00 25.42 H new HETATM 0 HG3 DLY A 14 2.729 3.274 -10.309 1.00 21.55 H new HETATM 0 HG2 DLY A 14 3.558 3.272 -8.765 1.00 21.55 H new HETATM 0 HE3 DLY A 14 4.081 5.876 -11.400 1.00 51.13 H new HETATM 0 HE2 DLY A 14 2.369 5.522 -11.520 1.00 51.13 H new HETATM 0 HD3 DLY A 14 2.229 5.320 -9.047 1.00 2.25 H new HETATM 0 HD2 DLY A 14 3.937 5.693 -8.916 1.00 2.25 H new HETATM 0 HB3 DLY A 14 5.630 4.117 -9.931 1.00 3.34 H new HETATM 0 HB2 DLY A 14 4.787 3.974 -11.461 1.00 3.34 H new HETATM 0 HA DLY A 14 4.499 1.515 -11.032 1.00 74.02 H new HETATM 226 N DAS A 15 6.786 1.537 -8.744 1.00 14.40 N HETATM 227 CA DAS A 15 7.153 1.047 -7.417 1.00 60.14 C HETATM 228 C DAS A 15 7.195 -0.474 -7.431 1.00 54.23 C HETATM 229 O DAS A 15 7.067 -1.137 -6.405 1.00 71.44 O HETATM 230 CB DAS A 15 8.492 1.645 -6.976 1.00 52.21 C HETATM 231 CG DAS A 15 8.868 1.301 -5.552 1.00 2.35 C HETATM 232 OD1 DAS A 15 8.036 1.465 -4.636 1.00 73.34 O HETATM 233 OD2 DAS A 15 10.027 0.957 -5.299 1.00 74.34 O HETATM 0 HB3 DAS A 15 9.276 1.292 -7.646 1.00 52.21 H new HETATM 0 HB2 DAS A 15 8.448 2.729 -7.080 1.00 52.21 H new HETATM 0 HA DAS A 15 6.403 1.363 -6.692 1.00 60.14 H new HETATM 238 N DCY A 16 7.332 -1.016 -8.608 1.00 55.41 N HETATM 239 CA DCY A 16 7.277 -2.434 -8.810 1.00 31.31 C HETATM 240 C DCY A 16 5.851 -2.832 -9.110 1.00 50.14 C HETATM 241 O DCY A 16 5.152 -2.115 -9.802 1.00 3.10 O HETATM 242 CB DCY A 16 8.161 -2.831 -9.979 1.00 71.43 C HETATM 243 SG DCY A 16 9.903 -2.435 -9.749 1.00 4.05 S HETATM 0 HB3 DCY A 16 8.062 -3.903 -10.148 1.00 71.43 H new HETATM 0 HB2 DCY A 16 7.801 -2.332 -10.879 1.00 71.43 H new HETATM 0 HA DCY A 16 7.629 -2.939 -7.910 1.00 31.31 H new HETATM 248 N DCY A 17 5.434 -4.001 -8.629 1.00 11.12 N HETATM 249 CA DCY A 17 4.072 -4.513 -8.847 1.00 13.15 C HETATM 250 C DCY A 17 3.864 -4.681 -10.355 1.00 31.23 C HETATM 251 O DCY A 17 2.768 -4.550 -10.878 1.00 52.44 O HETATM 252 CB DCY A 17 3.919 -5.895 -8.183 1.00 35.11 C HETATM 253 SG DCY A 17 4.853 -6.133 -6.620 1.00 53.32 S HETATM 0 HB3 DCY A 17 2.861 -6.067 -7.983 1.00 35.11 H new HETATM 0 HB2 DCY A 17 4.237 -6.657 -8.895 1.00 35.11 H new HETATM 0 HA DCY A 17 3.346 -3.821 -8.421 1.00 13.15 H new HETATM 258 N DSN A 18 4.971 -4.941 -11.021 1.00 42.01 N HETATM 259 CA DSN A 18 5.054 -5.137 -12.435 1.00 74.03 C HETATM 260 C DSN A 18 4.651 -3.886 -13.256 1.00 20.01 C HETATM 261 O DSN A 18 3.846 -3.989 -14.187 1.00 60.20 O HETATM 262 CB DSN A 18 6.495 -5.558 -12.762 1.00 12.44 C HETATM 263 OG DSN A 18 6.749 -5.549 -14.141 1.00 44.45 O HETATM 0 HG DSN A 18 6.724 -6.467 -14.484 1.00 44.45 H new HETATM 0 HB3 DSN A 18 7.191 -4.885 -12.262 1.00 12.44 H new HETATM 0 HB2 DSN A 18 6.678 -6.557 -12.367 1.00 12.44 H new HETATM 0 HA DSN A 18 4.340 -5.910 -12.719 1.00 74.03 H new HETATM 269 N DLY A 19 5.186 -2.703 -12.889 1.00 3.33 N HETATM 270 CA DLY A 19 5.042 -1.459 -13.703 1.00 41.53 C HETATM 271 C DLY A 19 5.743 -1.568 -15.054 1.00 4.23 C HETATM 272 O DLY A 19 5.595 -0.701 -15.911 1.00 74.45 O HETATM 273 CB DLY A 19 3.575 -0.984 -13.895 1.00 22.10 C HETATM 274 CG DLY A 19 2.949 -0.285 -12.695 1.00 43.12 C HETATM 275 CD DLY A 19 2.780 -1.205 -11.509 1.00 31.53 C HETATM 276 CE DLY A 19 2.207 -0.479 -10.311 1.00 74.21 C HETATM 277 NZ DLY A 19 0.857 0.034 -10.579 1.00 75.43 N HETATM 0 HZ2 DLY A 19 0.353 0.545 -9.855 1.00 75.43 H new HETATM 0 HZ1 DLY A 19 0.424 -0.121 -11.489 1.00 75.43 H new HETATM 0 HG3 DLY A 19 3.572 0.562 -12.407 1.00 43.12 H new HETATM 0 HG2 DLY A 19 1.977 0.117 -12.980 1.00 43.12 H new HETATM 0 HE3 DLY A 19 2.176 -1.155 -9.457 1.00 74.21 H new HETATM 0 HE2 DLY A 19 2.863 0.348 -10.039 1.00 74.21 H new HETATM 0 HD3 DLY A 19 2.124 -2.032 -11.781 1.00 31.53 H new HETATM 0 HD2 DLY A 19 3.745 -1.638 -11.244 1.00 31.53 H new HETATM 0 HB3 DLY A 19 3.540 -0.306 -14.747 1.00 22.10 H new HETATM 0 HB2 DLY A 19 2.962 -1.849 -14.150 1.00 22.10 H new HETATM 0 HA DLY A 19 5.539 -0.692 -13.109 1.00 41.53 H new HETATM 291 N DLY A 20 6.544 -2.593 -15.219 1.00 2.23 N HETATM 292 CA DLY A 20 7.196 -2.848 -16.474 1.00 31.45 C HETATM 293 C DLY A 20 8.714 -2.944 -16.315 1.00 50.44 C HETATM 294 O DLY A 20 9.281 -4.050 -16.247 1.00 5.43 O HETATM 295 CB DLY A 20 6.629 -4.135 -17.082 1.00 55.05 C HETATM 296 CG DLY A 20 5.150 -4.052 -17.440 1.00 10.05 C HETATM 297 CD DLY A 20 4.544 -5.420 -17.711 1.00 55.14 C HETATM 298 CE DLY A 20 4.496 -6.261 -16.441 1.00 15.24 C HETATM 299 NZ DLY A 20 3.841 -7.553 -16.648 1.00 2.10 N HETATM 0 HZ2 DLY A 20 3.747 -8.207 -15.871 1.00 2.10 H new HETATM 0 HZ1 DLY A 20 3.479 -7.799 -17.569 1.00 2.10 H new HETATM 0 HG3 DLY A 20 4.608 -3.572 -16.625 1.00 10.05 H new HETATM 0 HG2 DLY A 20 5.026 -3.421 -18.321 1.00 10.05 H new HETATM 0 HE3 DLY A 20 5.511 -6.426 -16.080 1.00 15.24 H new HETATM 0 HE2 DLY A 20 3.967 -5.710 -15.664 1.00 15.24 H new HETATM 0 HD3 DLY A 20 3.537 -5.302 -18.111 1.00 55.14 H new HETATM 0 HD2 DLY A 20 5.130 -5.937 -18.471 1.00 55.14 H new HETATM 0 HB3 DLY A 20 7.196 -4.381 -17.980 1.00 55.05 H new HETATM 0 HB2 DLY A 20 6.776 -4.953 -16.377 1.00 55.05 H new HETATM 0 HA DLY A 20 7.001 -2.011 -17.144 1.00 31.45 H new HETATM 313 N DCY A 21 9.360 -1.805 -16.221 1.00 44.21 N HETATM 314 CA DCY A 21 10.809 -1.760 -16.118 1.00 4.21 C HETATM 315 C DCY A 21 11.432 -1.824 -17.495 1.00 43.22 C HETATM 316 O DCY A 21 11.101 -1.025 -18.380 1.00 42.21 O HETATM 317 CB DCY A 21 11.292 -0.510 -15.374 1.00 31.23 C HETATM 318 SG DCY A 21 10.987 -0.519 -13.598 1.00 34.43 S HETATM 0 HB3 DCY A 21 12.363 -0.395 -15.543 1.00 31.23 H new HETATM 0 HB2 DCY A 21 10.805 0.364 -15.807 1.00 31.23 H new HETATM 0 HA DCY A 21 11.125 -2.628 -15.539 1.00 4.21 H new HETATM 323 N DLY A 22 12.299 -2.779 -17.684 1.00 71.04 N HETATM 324 CA DLY A 22 12.983 -2.973 -18.939 1.00 52.32 C HETATM 325 C DLY A 22 14.442 -3.241 -18.688 1.00 62.31 C HETATM 326 O DLY A 22 14.798 -3.811 -17.654 1.00 42.15 O HETATM 327 CB DLY A 22 12.347 -4.130 -19.722 1.00 54.41 C HETATM 328 CG DLY A 22 10.944 -3.822 -20.226 1.00 63.24 C HETATM 329 CD DLY A 22 10.297 -5.007 -20.918 1.00 5.45 C HETATM 330 CE DLY A 22 9.908 -6.093 -19.927 1.00 73.45 C HETATM 331 NZ DLY A 22 8.874 -5.616 -18.988 1.00 53.35 N HETATM 0 HZ2 DLY A 22 8.515 -6.239 -18.265 1.00 53.35 H new HETATM 0 HZ1 DLY A 22 8.518 -4.663 -19.062 1.00 53.35 H new HETATM 0 HG3 DLY A 22 10.321 -3.512 -19.387 1.00 63.24 H new HETATM 0 HG2 DLY A 22 10.988 -2.981 -20.919 1.00 63.24 H new HETATM 0 HE3 DLY A 22 9.538 -6.965 -20.466 1.00 73.45 H new HETATM 0 HE2 DLY A 22 10.789 -6.413 -19.370 1.00 73.45 H new HETATM 0 HD3 DLY A 22 9.411 -4.674 -21.459 1.00 5.45 H new HETATM 0 HD2 DLY A 22 10.986 -5.418 -21.656 1.00 5.45 H new HETATM 0 HB3 DLY A 22 12.984 -4.377 -20.571 1.00 54.41 H new HETATM 0 HB2 DLY A 22 12.310 -5.013 -19.084 1.00 54.41 H new HETATM 0 HA DLY A 22 12.891 -2.067 -19.538 1.00 52.32 H new HETATM 0 H DLY A 22 12.817 -2.835 -16.807 1.00 71.04 H new HETATM 345 N DAR A 23 15.275 -2.784 -19.589 1.00 14.22 N HETATM 346 CA DAR A 23 16.700 -3.018 -19.513 1.00 32.41 C HETATM 347 CB DAR A 23 17.470 -1.771 -19.933 1.00 34.31 C HETATM 348 CG DAR A 23 18.947 -1.880 -19.661 1.00 62.10 C HETATM 349 CD DAR A 23 19.696 -0.666 -20.113 1.00 42.22 C HETATM 350 NE DAR A 23 21.123 -0.804 -19.853 1.00 41.04 N HETATM 351 CZ DAR A 23 22.072 -0.066 -20.427 1.00 23.41 C HETATM 352 NH1 DAR A 23 21.740 0.901 -21.283 1.00 12.24 N HETATM 353 NH2 DAR A 23 23.347 -0.289 -20.139 1.00 61.45 N HETATM 354 C DAR A 23 17.064 -4.177 -20.436 1.00 22.50 C HETATM 355 O DAR A 23 18.138 -4.762 -20.345 1.00 65.31 O HETATM 0 HH22 DAR A 23 24.075 0.275 -20.577 1.00 61.45 H new HETATM 0 HH21 DAR A 23 23.600 -1.025 -19.479 1.00 61.45 H new HETATM 0 HH12 DAR A 23 22.467 1.465 -21.722 1.00 12.24 H new HETATM 0 HH11 DAR A 23 20.759 1.076 -21.499 1.00 12.24 H new HETATM 0 HG3 DAR A 23 19.108 -2.028 -18.593 1.00 62.10 H new HETATM 0 HG2 DAR A 23 19.344 -2.759 -20.168 1.00 62.10 H new HETATM 0 HE DAR A 23 21.416 -1.516 -19.184 1.00 41.04 H new HETATM 0 HD3 DAR A 23 19.531 -0.509 -21.179 1.00 42.22 H new HETATM 0 HD2 DAR A 23 19.313 0.215 -19.598 1.00 42.22 H new HETATM 0 HB3 DAR A 23 17.313 -1.593 -20.997 1.00 34.31 H new HETATM 0 HB2 DAR A 23 17.070 -0.907 -19.403 1.00 34.31 H new HETATM 0 HA DAR A 23 16.967 -3.261 -18.484 1.00 32.41 H new HETATM 0 H DAR A 23 14.923 -1.876 -19.893 1.00 14.22 H new HETATM 369 N DAR A 24 16.173 -4.474 -21.351 1.00 15.03 N HETATM 370 CA DAR A 24 16.367 -5.585 -22.244 1.00 71.02 C HETATM 371 CB DAR A 24 15.627 -5.404 -23.574 1.00 12.23 C HETATM 372 CG DAR A 24 16.324 -4.547 -24.638 1.00 71.24 C HETATM 373 CD DAR A 24 16.579 -3.120 -24.205 1.00 42.32 C HETATM 374 NE DAR A 24 17.052 -2.302 -25.322 1.00 54.14 N HETATM 375 CZ DAR A 24 18.117 -1.505 -25.312 1.00 23.41 C HETATM 376 NH1 DAR A 24 18.937 -1.477 -24.268 1.00 60.24 N HETATM 377 NH2 DAR A 24 18.372 -0.755 -26.369 1.00 52.30 N HETATM 378 C DAR A 24 15.915 -6.858 -21.577 1.00 21.11 C HETATM 379 O DAR A 24 15.107 -6.825 -20.632 1.00 23.34 O HETATM 0 HH22 DAR A 24 19.186 -0.140 -26.373 1.00 52.30 H new HETATM 0 HH21 DAR A 24 17.755 -0.791 -27.181 1.00 52.30 H new HETATM 0 HH12 DAR A 24 19.750 -0.861 -24.274 1.00 60.24 H new HETATM 0 HH11 DAR A 24 18.754 -2.072 -23.460 1.00 60.24 H new HETATM 0 HG3 DAR A 24 17.274 -5.012 -24.900 1.00 71.24 H new HETATM 0 HG2 DAR A 24 15.714 -4.539 -25.541 1.00 71.24 H new HETATM 0 HE DAR A 24 16.516 -2.347 -26.188 1.00 54.14 H new HETATM 0 HD3 DAR A 24 15.662 -2.691 -23.800 1.00 42.32 H new HETATM 0 HD2 DAR A 24 17.318 -3.107 -23.404 1.00 42.32 H new HETATM 0 HB3 DAR A 24 15.443 -6.391 -23.999 1.00 12.23 H new HETATM 0 HB2 DAR A 24 14.653 -4.961 -23.364 1.00 12.23 H new HETATM 0 HA DAR A 24 17.432 -5.638 -22.471 1.00 71.02 H new HETATM 0 H DAR A 24 15.593 -3.685 -21.637 1.00 15.03 H new ATOM 393 N GLY A 25 16.426 -7.955 -22.046 1.00 45.25 N ATOM 394 CA GLY A 25 16.086 -9.230 -21.511 1.00 51.43 C ATOM 395 C GLY A 25 17.317 -10.062 -21.394 1.00 4.20 C ATOM 396 O GLY A 25 18.248 -9.894 -22.181 1.00 42.24 O ATOM 0 H GLY A 25 17.095 -7.987 -22.816 1.00 45.25 H new ATOM 0 HA2 GLY A 25 15.618 -9.113 -20.533 1.00 51.43 H new ATOM 0 HA3 GLY A 25 15.359 -9.725 -22.155 1.00 51.43 H new HETATM 400 N DTH A 26 17.355 -10.938 -20.428 1.00 12.43 N HETATM 401 CA DTH A 26 18.528 -11.769 -20.196 1.00 21.14 C HETATM 402 CB DTH A 26 18.121 -13.096 -19.509 1.00 42.12 C HETATM 403 CG2 DTH A 26 17.608 -12.856 -18.087 1.00 54.42 C HETATM 404 OG1 DTH A 26 17.083 -13.731 -20.287 1.00 51.35 O HETATM 405 C DTH A 26 19.573 -11.020 -19.332 1.00 22.51 C HETATM 406 O DTH A 26 20.642 -11.544 -19.023 1.00 0.54 O HETATM 0 HG23 DTH A 26 18.391 -12.386 -17.492 1.00 54.42 H new HETATM 0 HG22 DTH A 26 16.736 -12.203 -18.120 1.00 54.42 H new HETATM 0 HG21 DTH A 26 17.331 -13.808 -17.634 1.00 54.42 H new HETATM 0 HG1 DTH A 26 16.822 -14.573 -19.859 1.00 51.35 H new HETATM 0 HB DTH A 26 19.002 -13.735 -19.450 1.00 42.12 H new HETATM 0 HA DTH A 26 18.980 -11.995 -21.162 1.00 21.14 H new HETATM 0 H DTH A 26 16.432 -11.267 -20.144 1.00 12.43 H new HETATM 414 N DSG A 27 19.275 -9.781 -19.008 1.00 34.54 N HETATM 415 CA DSG A 27 20.094 -8.984 -18.124 1.00 65.02 C HETATM 416 C DSG A 27 20.178 -7.576 -18.723 1.00 74.33 C HETATM 417 O DSG A 27 19.309 -7.205 -19.502 1.00 14.25 O HETATM 418 CB DSG A 27 19.410 -8.959 -16.741 1.00 52.02 C HETATM 419 CG DSG A 27 20.255 -8.398 -15.601 1.00 40.22 C HETATM 420 OD1 DSG A 27 21.120 -7.567 -15.796 1.00 43.02 O HETATM 421 ND2 DSG A 27 20.012 -8.861 -14.408 1.00 54.21 N HETATM 0 HD22 DSG A 27 20.548 -8.520 -13.610 1.00 54.21 H new HETATM 0 HD21 DSG A 27 19.286 -9.564 -14.272 1.00 54.21 H new HETATM 0 HB3 DSG A 27 18.496 -8.369 -16.817 1.00 52.02 H new HETATM 0 HB2 DSG A 27 19.113 -9.976 -16.484 1.00 52.02 H new HETATM 0 HA DSG A 27 21.100 -9.388 -18.012 1.00 65.02 H new HETATM 0 H DSG A 27 18.880 -9.364 -19.851 1.00 34.54 H new HETATM 428 N DIL A 28 21.215 -6.826 -18.381 1.00 30.35 N HETATM 429 CA DIL A 28 21.426 -5.477 -18.907 1.00 15.14 C HETATM 430 C DIL A 28 21.060 -4.413 -17.830 1.00 23.03 C HETATM 431 O DIL A 28 21.249 -3.193 -18.016 1.00 70.11 O HETATM 432 CB DIL A 28 22.909 -5.297 -19.376 1.00 43.24 C HETATM 433 CG1 DIL A 28 23.886 -5.291 -18.177 1.00 44.02 C HETATM 434 CG2 DIL A 28 23.088 -4.075 -20.283 1.00 73.35 C HETATM 435 CD1 DIL A 28 25.344 -5.140 -18.559 1.00 71.43 C HETATM 0 HG23 DIL A 28 22.465 -4.186 -21.170 1.00 73.35 H new HETATM 0 HG22 DIL A 28 22.793 -3.175 -19.743 1.00 73.35 H new HETATM 0 HG21 DIL A 28 24.133 -3.993 -20.581 1.00 73.35 H new HETATM 0 HG13 DIL A 28 23.613 -4.477 -17.505 1.00 44.02 H new HETATM 0 HG12 DIL A 28 23.763 -6.219 -17.619 1.00 44.02 H new HETATM 0 HD13 DIL A 28 25.639 -5.967 -19.205 1.00 71.43 H new HETATM 0 HD12 DIL A 28 25.486 -4.198 -19.089 1.00 71.43 H new HETATM 0 HD11 DIL A 28 25.958 -5.146 -17.659 1.00 71.43 H new HETATM 0 HB DIL A 28 23.160 -6.165 -19.986 1.00 43.24 H new HETATM 0 HA DIL A 28 20.774 -5.335 -19.769 1.00 15.14 H new HETATM 447 N DGL A 29 20.566 -4.880 -16.702 1.00 74.21 N HETATM 448 CA DGL A 29 20.123 -3.999 -15.632 1.00 10.11 C HETATM 449 C DGL A 29 18.683 -3.590 -15.881 1.00 60.13 C HETATM 450 O DGL A 29 17.997 -4.173 -16.723 1.00 21.41 O HETATM 451 CB DGL A 29 20.172 -4.704 -14.271 1.00 71.34 C HETATM 452 CG DGL A 29 21.537 -5.169 -13.802 1.00 61.53 C HETATM 453 CD DGL A 29 21.446 -5.882 -12.468 1.00 51.25 C HETATM 454 OE1 DGL A 29 21.771 -5.277 -11.426 1.00 31.40 O HETATM 455 OE2 DGL A 29 21.012 -7.064 -12.430 1.00 3.40 O HETATM 0 HG3 DGL A 29 21.971 -5.837 -14.545 1.00 61.53 H new HETATM 0 HG2 DGL A 29 22.205 -4.312 -13.714 1.00 61.53 H new HETATM 0 HE2 DGL A 29 21.209 -7.457 -11.554 1.00 3.40 H new HETATM 0 HB3 DGL A 29 19.765 -4.026 -13.520 1.00 71.34 H new HETATM 0 HB2 DGL A 29 19.511 -5.570 -14.311 1.00 71.34 H new HETATM 0 HA DGL A 29 20.788 -3.135 -15.619 1.00 10.11 H new HETATM 462 N DLY A 30 18.223 -2.605 -15.152 1.00 13.14 N HETATM 463 CA DLY A 30 16.840 -2.225 -15.208 1.00 15.13 C HETATM 464 C DLY A 30 16.084 -3.150 -14.307 1.00 70.33 C HETATM 465 O DLY A 30 16.308 -3.161 -13.081 1.00 10.40 O HETATM 466 CB DLY A 30 16.628 -0.767 -14.774 1.00 74.22 C HETATM 467 CG DLY A 30 17.227 0.267 -15.719 1.00 35.11 C HETATM 468 CD DLY A 30 16.590 0.213 -17.105 1.00 12.43 C HETATM 469 CE DLY A 30 15.101 0.559 -17.084 1.00 52.13 C HETATM 470 NZ DLY A 30 14.844 1.959 -16.679 1.00 33.20 N HETATM 0 HZ2 DLY A 30 13.887 2.308 -16.628 1.00 33.20 H new HETATM 0 HZ1 DLY A 30 15.624 2.575 -16.451 1.00 33.20 H new HETATM 0 HG3 DLY A 30 17.094 1.263 -15.298 1.00 35.11 H new HETATM 0 HG2 DLY A 30 18.300 0.099 -15.807 1.00 35.11 H new HETATM 0 HE3 DLY A 30 14.679 0.389 -18.074 1.00 52.13 H new HETATM 0 HE2 DLY A 30 14.586 -0.113 -16.398 1.00 52.13 H new HETATM 0 HD3 DLY A 30 17.110 0.905 -17.767 1.00 12.43 H new HETATM 0 HD2 DLY A 30 16.721 -0.786 -17.522 1.00 12.43 H new HETATM 0 HB3 DLY A 30 15.558 -0.580 -14.683 1.00 74.22 H new HETATM 0 HB2 DLY A 30 17.061 -0.629 -13.783 1.00 74.22 H new HETATM 0 HA DLY A 30 16.484 -2.299 -16.235 1.00 15.13 H new HETATM 484 N DAR A 31 15.243 -3.955 -14.885 1.00 62.44 N HETATM 485 CA DAR A 31 14.518 -4.919 -14.120 1.00 5.03 C HETATM 486 CB DAR A 31 14.864 -6.341 -14.554 1.00 62.55 C HETATM 487 CG DAR A 31 16.336 -6.618 -14.762 1.00 52.22 C HETATM 488 CD DAR A 31 16.623 -8.086 -14.589 1.00 2.40 C HETATM 489 NE DAR A 31 16.647 -8.440 -13.174 1.00 32.31 N HETATM 490 CZ DAR A 31 16.329 -9.618 -12.662 1.00 52.41 C HETATM 491 NH1 DAR A 31 15.876 -10.591 -13.444 1.00 54.21 N HETATM 492 NH2 DAR A 31 16.468 -9.824 -11.359 1.00 33.21 N HETATM 493 C DAR A 31 13.033 -4.723 -14.290 1.00 75.23 C HETATM 494 O DAR A 31 12.569 -4.313 -15.364 1.00 45.33 O HETATM 0 HH22 DAR A 31 16.225 -10.729 -10.957 1.00 33.21 H new HETATM 0 HH21 DAR A 31 16.818 -9.077 -10.759 1.00 33.21 H new HETATM 0 HH12 DAR A 31 15.633 -11.497 -13.042 1.00 54.21 H new HETATM 0 HH11 DAR A 31 15.771 -10.433 -14.446 1.00 54.21 H new HETATM 0 HG3 DAR A 31 16.636 -6.297 -15.760 1.00 52.22 H new HETATM 0 HG2 DAR A 31 16.926 -6.039 -14.051 1.00 52.22 H new HETATM 0 HE DAR A 31 16.935 -7.713 -12.519 1.00 32.31 H new HETATM 0 HD3 DAR A 31 15.863 -8.674 -15.104 1.00 2.40 H new HETATM 0 HD2 DAR A 31 17.581 -8.332 -15.047 1.00 2.40 H new HETATM 0 HB3 DAR A 31 14.484 -7.034 -13.803 1.00 62.55 H new HETATM 0 HB2 DAR A 31 14.337 -6.557 -15.483 1.00 62.55 H new HETATM 0 HA DAR A 31 14.799 -4.777 -13.076 1.00 5.03 H new HETATM 508 N DCY A 32 12.306 -5.005 -13.255 1.00 75.00 N HETATM 509 CA DCY A 32 10.878 -4.994 -13.294 1.00 61.52 C HETATM 510 C DCY A 32 10.441 -6.377 -13.668 1.00 21.14 C HETATM 511 O DCY A 32 10.645 -7.329 -12.910 1.00 12.53 O HETATM 512 CB DCY A 32 10.299 -4.565 -11.941 1.00 14.41 C HETATM 513 SG DCY A 32 10.722 -2.847 -11.535 1.00 53.13 S HETATM 0 HB3 DCY A 32 9.215 -4.677 -11.959 1.00 14.41 H new HETATM 0 HB2 DCY A 32 10.675 -5.225 -11.160 1.00 14.41 H new HETATM 0 HA DCY A 32 10.512 -4.273 -14.025 1.00 61.52 H new HETATM 518 N DAR A 33 9.942 -6.518 -14.871 1.00 4.32 N HETATM 519 CA DAR A 33 9.546 -7.801 -15.380 1.00 1.11 C HETATM 520 CB DAR A 33 10.555 -8.327 -16.411 1.00 63.24 C HETATM 521 CG DAR A 33 11.981 -8.482 -15.900 1.00 61.12 C HETATM 522 CD DAR A 33 12.871 -9.186 -16.920 1.00 42.13 C HETATM 523 NE DAR A 33 13.038 -8.432 -18.180 1.00 3.21 N HETATM 524 CZ DAR A 33 12.429 -8.736 -19.341 1.00 70.02 C HETATM 525 NH1 DAR A 33 11.438 -9.604 -19.366 1.00 33.03 N HETATM 526 NH2 DAR A 33 12.790 -8.137 -20.457 1.00 34.40 N HETATM 527 C DAR A 33 8.184 -7.687 -16.010 1.00 31.05 C HETATM 528 O DAR A 33 7.190 -7.851 -15.294 1.00 1.33 O HETATM 529 OXT DAR A 33 8.102 -7.389 -17.218 1.00 0.00 O HETATM 0 HH22 DAR A 33 12.326 -8.371 -21.335 1.00 34.40 H new HETATM 0 HH21 DAR A 33 13.534 -7.439 -20.444 1.00 34.40 H new HETATM 0 HH12 DAR A 33 10.980 -9.830 -20.249 1.00 33.03 H new HETATM 0 HH11 DAR A 33 11.128 -10.050 -18.502 1.00 33.03 H new HETATM 0 HXT DAR A 33 7.188 -7.548 -17.533 1.00 0.00 H new HETATM 0 HG3 DAR A 33 12.395 -7.500 -15.672 1.00 61.12 H new HETATM 0 HG2 DAR A 33 11.975 -9.049 -14.969 1.00 61.12 H new HETATM 0 HE DAR A 33 13.659 -7.623 -18.169 1.00 3.21 H new HETATM 0 HD3 DAR A 33 13.852 -9.358 -16.477 1.00 42.13 H new HETATM 0 HD2 DAR A 33 12.447 -10.165 -17.145 1.00 42.13 H new HETATM 0 HB3 DAR A 33 10.209 -9.295 -16.774 1.00 63.24 H new HETATM 0 HB2 DAR A 33 10.564 -7.650 -17.266 1.00 63.24 H new HETATM 0 HA DAR A 33 9.515 -8.508 -14.551 1.00 1.11 H new TER 543 DAR A 33