USER MOD reduce.3.24.130724 H: found=0, std=0, add=251, rem=0, adj=4 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 HD2 : A 2 DAS OD2 : A 2 DAS CG :(short bond) 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 3 DCY H : 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 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 11 DLY H2 : 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 12 DGL H : 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 H : 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 HXT : A 33 DAR OXT : A 33 DAR C :(short bond) 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+ -125:sc= 0.0809 (180deg=0) USER MOD Single : A 18 DSN OG : rot -120:sc= -0.0997 USER MOD Single : A 26 DTH OG1 : rot 180:sc= 0 USER MOD Single : A 29 DGL OE2 : rot 179:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.059 2.694 -0.113 1.00 22.34 N ATOM 2 CA GLY A 1 6.378 2.059 -0.241 1.00 31.01 C ATOM 3 C GLY A 1 6.250 0.642 -0.724 1.00 41.03 C ATOM 4 O GLY A 1 5.247 0.291 -1.357 1.00 21.12 O ATOM 0 H1 GLY A 1 5.042 3.573 -0.668 1.00 22.34 H new ATOM 0 H2 GLY A 1 4.326 2.047 -0.467 1.00 22.34 H new ATOM 0 H3 GLY A 1 4.874 2.912 0.887 1.00 22.34 H new ATOM 0 HA2 GLY A 1 6.994 2.629 -0.936 1.00 31.01 H new ATOM 0 HA3 GLY A 1 6.887 2.074 0.722 1.00 31.01 H new HETATM 10 N DAS A 2 7.232 -0.181 -0.425 1.00 33.03 N HETATM 11 CA DAS A 2 7.232 -1.571 -0.872 1.00 62.42 C HETATM 12 C DAS A 2 7.593 -1.619 -2.339 1.00 64.34 C HETATM 13 O DAS A 2 8.724 -1.279 -2.719 1.00 1.31 O HETATM 14 CB DAS A 2 8.216 -2.406 -0.053 1.00 44.25 C HETATM 15 CG DAS A 2 8.258 -3.865 -0.460 1.00 64.50 C HETATM 16 OD1 DAS A 2 7.313 -4.622 -0.135 1.00 73.04 O HETATM 17 OD2 DAS A 2 9.251 -4.294 -1.057 1.00 34.23 O HETATM 0 HB3 DAS A 2 9.214 -1.980 -0.155 1.00 44.25 H new HETATM 0 HB2 DAS A 2 7.947 -2.339 1.001 1.00 44.25 H new HETATM 0 HA DAS A 2 6.237 -1.992 -0.727 1.00 62.42 H new HETATM 22 N DCY A 3 6.641 -1.988 -3.162 1.00 13.22 N HETATM 23 CA DCY A 3 6.831 -1.994 -4.598 1.00 44.42 C HETATM 24 C DCY A 3 7.863 -3.037 -5.035 1.00 61.21 C HETATM 25 O DCY A 3 8.034 -4.074 -4.372 1.00 72.51 O HETATM 26 CB DCY A 3 5.480 -2.153 -5.341 1.00 51.35 C HETATM 27 SG DCY A 3 4.508 -3.638 -4.917 1.00 72.04 S HETATM 0 HB3 DCY A 3 4.870 -1.273 -5.138 1.00 51.35 H new HETATM 0 HB2 DCY A 3 5.676 -2.165 -6.413 1.00 51.35 H new HETATM 0 HA DCY A 3 7.240 -1.024 -4.880 1.00 44.42 H new HETATM 32 N DLE A 4 8.590 -2.729 -6.102 1.00 15.40 N HETATM 33 CA DLE A 4 9.603 -3.620 -6.652 1.00 20.33 C HETATM 34 CB DLE A 4 10.368 -2.896 -7.763 1.00 1.21 C HETATM 35 CG DLE A 4 11.112 -1.636 -7.330 1.00 45.52 C HETATM 36 CD1 DLE A 4 12.415 -1.975 -6.628 1.00 75.44 C HETATM 37 CD2 DLE A 4 11.313 -0.681 -8.489 1.00 23.53 C HETATM 38 C DLE A 4 8.939 -4.891 -7.184 1.00 15.14 C HETATM 39 O DLE A 4 7.871 -4.809 -7.809 1.00 70.14 O HETATM 0 HD23 DLE A 4 11.894 -1.173 -9.269 1.00 23.53 H new HETATM 0 HD22 DLE A 4 10.343 -0.387 -8.890 1.00 23.53 H new HETATM 0 HD21 DLE A 4 11.846 0.204 -8.143 1.00 23.53 H new HETATM 0 HD13 DLE A 4 12.206 -2.574 -5.742 1.00 75.44 H new HETATM 0 HD12 DLE A 4 13.057 -2.540 -7.305 1.00 75.44 H new HETATM 0 HD11 DLE A 4 12.919 -1.055 -6.333 1.00 75.44 H new HETATM 0 HG DLE A 4 10.488 -1.117 -6.603 1.00 45.52 H new HETATM 0 HB3 DLE A 4 11.086 -3.590 -8.198 1.00 1.21 H new HETATM 0 HB2 DLE A 4 9.664 -2.629 -8.552 1.00 1.21 H new HETATM 0 HA DLE A 4 10.309 -3.904 -5.872 1.00 20.33 H new HETATM 0 H DLE A 4 8.487 -1.784 -6.472 1.00 15.40 H new HETATM 51 N DPR A 5 9.523 -6.074 -6.921 1.00 5.31 N HETATM 52 CA DPR A 5 8.940 -7.355 -7.332 1.00 64.04 C HETATM 53 CB DPR A 5 9.757 -8.404 -6.545 1.00 75.51 C HETATM 54 CG DPR A 5 10.576 -7.619 -5.575 1.00 4.42 C HETATM 55 CD DPR A 5 10.792 -6.284 -6.212 1.00 72.02 C HETATM 56 C DPR A 5 9.047 -7.619 -8.841 1.00 0.00 C HETATM 57 O DPR A 5 9.688 -6.869 -9.593 1.00 11.41 O HETATM 0 HG3 DPR A 5 10.061 -7.518 -4.620 1.00 4.42 H new HETATM 0 HG2 DPR A 5 11.526 -8.115 -5.374 1.00 4.42 H new HETATM 0 HD3 DPR A 5 11.643 -6.290 -6.893 1.00 72.02 H new HETATM 0 HD2 DPR A 5 10.980 -5.505 -5.473 1.00 72.02 H new HETATM 0 HB3 DPR A 5 9.102 -9.106 -6.029 1.00 75.51 H new HETATM 0 HB2 DPR A 5 10.391 -8.990 -7.211 1.00 75.51 H new HETATM 0 HA DPR A 5 7.870 -7.380 -7.125 1.00 64.04 H new HETATM 65 N DHI A 6 8.446 -8.701 -9.262 1.00 43.11 N HETATM 66 CA DHI A 6 8.398 -9.067 -10.650 1.00 45.22 C HETATM 67 C DHI A 6 9.605 -9.939 -10.996 1.00 3.53 C HETATM 68 O DHI A 6 9.956 -10.842 -10.236 1.00 42.25 O HETATM 69 CB DHI A 6 7.089 -9.815 -10.943 1.00 54.32 C HETATM 70 CG DHI A 6 6.871 -10.077 -12.390 1.00 20.13 C HETATM 71 ND1 DHI A 6 7.072 -11.300 -12.981 1.00 63.12 N HETATM 72 CD2 DHI A 6 6.489 -9.246 -13.373 1.00 12.24 C HETATM 73 CE1 DHI A 6 6.827 -11.198 -14.270 1.00 44.34 C HETATM 74 NE2 DHI A 6 6.473 -9.956 -14.527 1.00 4.33 N HETATM 0 HE2 DHI A 6 6.227 -9.588 -15.446 1.00 4.33 H new HETATM 0 HE1 DHI A 6 6.904 -12.004 -15.000 1.00 44.34 H new HETATM 0 HD2 DHI A 6 6.237 -8.191 -13.263 1.00 12.24 H new HETATM 0 HD1 DHI A 6 7.364 -12.150 -12.499 1.00 63.12 H new HETATM 0 HB3 DHI A 6 7.093 -10.764 -10.406 1.00 54.32 H new HETATM 0 HB2 DHI A 6 6.252 -9.233 -10.556 1.00 54.32 H new HETATM 0 HA DHI A 6 8.431 -8.168 -11.265 1.00 45.22 H new HETATM 83 N DLE A 7 10.244 -9.637 -12.135 1.00 20.13 N HETATM 84 CA DLE A 7 11.443 -10.328 -12.630 1.00 20.40 C HETATM 85 CB DLE A 7 11.212 -11.835 -12.873 1.00 2.30 C HETATM 86 CG DLE A 7 10.224 -12.180 -13.995 1.00 31.14 C HETATM 87 CD1 DLE A 7 10.678 -11.592 -15.312 1.00 61.41 C HETATM 88 CD2 DLE A 7 10.055 -13.679 -14.132 1.00 42.21 C HETATM 89 C DLE A 7 12.586 -10.053 -11.691 1.00 11.32 C HETATM 90 O DLE A 7 13.485 -10.864 -11.505 1.00 51.01 O HETATM 0 HD23 DLE A 7 11.018 -14.134 -14.364 1.00 42.21 H new HETATM 0 HD22 DLE A 7 9.676 -14.089 -13.196 1.00 42.21 H new HETATM 0 HD21 DLE A 7 9.349 -13.894 -14.935 1.00 42.21 H new HETATM 0 HD13 DLE A 7 10.743 -10.508 -15.223 1.00 61.41 H new HETATM 0 HD12 DLE A 7 11.657 -11.994 -15.572 1.00 61.41 H new HETATM 0 HD11 DLE A 7 9.962 -11.850 -16.092 1.00 61.41 H new HETATM 0 HG DLE A 7 9.261 -11.745 -13.729 1.00 31.14 H new HETATM 0 HB3 DLE A 7 12.171 -12.299 -13.102 1.00 2.30 H new HETATM 0 HB2 DLE A 7 10.854 -12.284 -11.947 1.00 2.30 H new HETATM 0 HA DLE A 7 11.695 -9.932 -13.614 1.00 20.40 H new HETATM 102 N DLY A 8 12.591 -8.840 -11.203 1.00 24.40 N HETATM 103 CA DLY A 8 13.531 -8.412 -10.188 1.00 53.23 C HETATM 104 C DLY A 8 13.982 -7.017 -10.552 1.00 2.54 C HETATM 105 O DLY A 8 13.366 -6.399 -11.415 1.00 74.54 O HETATM 106 CB DLY A 8 12.813 -8.371 -8.817 1.00 14.43 C HETATM 107 CG DLY A 8 13.718 -8.311 -7.575 1.00 23.13 C HETATM 108 CD DLY A 8 14.092 -9.698 -7.034 1.00 25.24 C HETATM 109 CE DLY A 8 14.837 -10.565 -8.037 1.00 63.23 C HETATM 110 NZ DLY A 8 15.187 -11.876 -7.475 1.00 73.43 N HETATM 0 HZ2 DLY A 8 15.690 -12.557 -8.044 1.00 73.43 H new HETATM 0 HZ1 DLY A 8 14.927 -12.106 -6.516 1.00 73.43 H new HETATM 0 HG3 DLY A 8 14.629 -7.767 -7.823 1.00 23.13 H new HETATM 0 HG2 DLY A 8 13.213 -7.746 -6.792 1.00 23.13 H new HETATM 0 HE3 DLY A 8 14.221 -10.704 -8.925 1.00 63.23 H new HETATM 0 HE2 DLY A 8 15.745 -10.053 -8.356 1.00 63.23 H new HETATM 0 HD3 DLY A 8 14.709 -9.577 -6.143 1.00 25.24 H new HETATM 0 HD2 DLY A 8 13.183 -10.215 -6.725 1.00 25.24 H new HETATM 0 HB3 DLY A 8 12.154 -7.503 -8.802 1.00 14.43 H new HETATM 0 HB2 DLY A 8 12.179 -9.254 -8.736 1.00 14.43 H new HETATM 0 HA DLY A 8 14.379 -9.094 -10.129 1.00 53.23 H new HETATM 0 H DLY A 8 12.357 -8.218 -11.977 1.00 24.40 H new HETATM 124 N DLE A 9 15.059 -6.550 -9.931 1.00 71.13 N HETATM 125 CA DLE A 9 15.592 -5.194 -10.109 1.00 42.34 C HETATM 126 CB DLE A 9 16.711 -4.912 -9.066 1.00 5.31 C HETATM 127 CG DLE A 9 16.439 -5.285 -7.572 1.00 71.14 C HETATM 128 CD1 DLE A 9 17.683 -5.060 -6.746 1.00 40.54 C HETATM 129 CD2 DLE A 9 15.277 -4.498 -6.963 1.00 1.24 C HETATM 130 C DLE A 9 14.518 -4.089 -10.091 1.00 72.32 C HETATM 131 O DLE A 9 13.459 -4.214 -9.464 1.00 14.50 O HETATM 0 HD23 DLE A 9 15.499 -3.432 -7.003 1.00 1.24 H new HETATM 0 HD22 DLE A 9 14.366 -4.700 -7.526 1.00 1.24 H new HETATM 0 HD21 DLE A 9 15.137 -4.801 -5.925 1.00 1.24 H new HETATM 0 HD13 DLE A 9 18.491 -5.683 -7.128 1.00 40.54 H new HETATM 0 HD12 DLE A 9 17.974 -4.011 -6.805 1.00 40.54 H new HETATM 0 HD11 DLE A 9 17.483 -5.323 -5.707 1.00 40.54 H new HETATM 0 HG DLE A 9 16.161 -6.339 -7.560 1.00 71.14 H new HETATM 0 HB3 DLE A 9 17.606 -5.446 -9.385 1.00 5.31 H new HETATM 0 HB2 DLE A 9 16.944 -3.848 -9.107 1.00 5.31 H new HETATM 0 HA DLE A 9 16.017 -5.162 -11.112 1.00 42.34 H new HETATM 0 H DLE A 9 15.433 -7.153 -9.198 1.00 71.13 H new HETATM 143 N DCY A 10 14.789 -3.036 -10.795 1.00 51.55 N HETATM 144 CA DCY A 10 13.906 -1.924 -10.856 1.00 32.34 C HETATM 145 C DCY A 10 14.712 -0.644 -11.045 1.00 61.11 C HETATM 146 O DCY A 10 15.928 -0.686 -11.255 1.00 54.41 O HETATM 147 CB DCY A 10 12.877 -2.111 -11.994 1.00 11.53 C HETATM 148 SG DCY A 10 11.601 -0.799 -12.116 1.00 11.11 S HETATM 0 HB3 DCY A 10 13.413 -2.164 -12.942 1.00 11.53 H new HETATM 0 HB2 DCY A 10 12.377 -3.070 -11.857 1.00 11.53 H new HETATM 0 HA DCY A 10 13.352 -1.851 -9.920 1.00 32.34 H new HETATM 0 H DCY A 10 15.796 -2.893 -10.876 1.00 51.55 H new HETATM 153 N DLY A 11 14.033 0.469 -10.963 1.00 42.12 N HETATM 154 CA DLY A 11 14.612 1.778 -11.125 1.00 42.03 C HETATM 155 C DLY A 11 13.490 2.727 -11.556 1.00 2.30 C HETATM 156 O DLY A 11 13.667 3.599 -12.411 1.00 1.01 O HETATM 157 CB DLY A 11 15.253 2.253 -9.807 1.00 53.12 C HETATM 158 CG DLY A 11 15.993 3.579 -9.908 1.00 22.52 C HETATM 159 CD DLY A 11 17.205 3.476 -10.820 1.00 21.22 C HETATM 160 CE DLY A 11 17.850 4.833 -11.054 1.00 55.35 C HETATM 161 NZ DLY A 11 16.949 5.755 -11.792 1.00 21.32 N HETATM 0 HZ2 DLY A 11 17.259 6.701 -12.015 1.00 21.32 H new HETATM 0 HZ1 DLY A 11 16.020 5.442 -12.075 1.00 21.32 H new HETATM 0 HG3 DLY A 11 15.317 4.346 -10.286 1.00 22.52 H new HETATM 0 HG2 DLY A 11 16.310 3.896 -8.915 1.00 22.52 H new HETATM 0 HE3 DLY A 11 18.118 5.278 -10.096 1.00 55.35 H new HETATM 0 HE2 DLY A 11 18.775 4.703 -11.615 1.00 55.35 H new HETATM 0 HD3 DLY A 11 17.935 2.797 -10.379 1.00 21.22 H new HETATM 0 HD2 DLY A 11 16.906 3.046 -11.776 1.00 21.22 H new HETATM 0 HB3 DLY A 11 14.474 2.343 -9.050 1.00 53.12 H new HETATM 0 HB2 DLY A 11 15.948 1.489 -9.460 1.00 53.12 H new HETATM 0 HA DLY A 11 15.400 1.757 -11.878 1.00 42.03 H new HETATM 0 H DLY A 11 13.038 0.327 -11.135 1.00 42.12 H new HETATM 175 N DGL A 12 12.334 2.535 -10.960 1.00 45.34 N HETATM 176 CA DGL A 12 11.144 3.276 -11.297 1.00 73.34 C HETATM 177 C DGL A 12 10.048 2.279 -11.660 1.00 24.15 C HETATM 178 O DGL A 12 9.651 1.439 -10.813 1.00 22.23 O HETATM 179 CB DGL A 12 10.714 4.146 -10.108 1.00 34.24 C HETATM 180 CG DGL A 12 9.415 4.913 -10.312 1.00 24.21 C HETATM 181 CD DGL A 12 9.487 5.900 -11.436 1.00 72.21 C HETATM 182 OE1 DGL A 12 9.636 7.098 -11.163 1.00 3.34 O HETATM 183 OE2 DGL A 12 9.399 5.494 -12.601 1.00 65.42 O HETATM 0 HG3 DGL A 12 8.609 4.206 -10.508 1.00 24.21 H new HETATM 0 HG2 DGL A 12 9.161 5.438 -9.391 1.00 24.21 H new HETATM 0 HB3 DGL A 12 10.609 3.509 -9.230 1.00 34.24 H new HETATM 0 HB2 DGL A 12 11.510 4.859 -9.891 1.00 34.24 H new HETATM 0 HA DGL A 12 11.334 3.936 -12.143 1.00 73.34 H new HETATM 190 N DSG A 13 9.548 2.362 -12.893 1.00 32.44 N HETATM 191 CA DSG A 13 8.542 1.409 -13.366 1.00 22.23 C HETATM 192 C DSG A 13 7.300 1.519 -12.524 1.00 50.55 C HETATM 193 O DSG A 13 6.737 0.529 -12.119 1.00 41.31 O HETATM 194 CB DSG A 13 8.195 1.553 -14.883 1.00 50.02 C HETATM 195 CG DSG A 13 7.435 2.832 -15.270 1.00 1.53 C HETATM 196 OD1 DSG A 13 7.619 3.895 -14.687 1.00 43.32 O HETATM 197 ND2 DSG A 13 6.552 2.719 -16.225 1.00 55.42 N HETATM 0 HD22 DSG A 13 6.017 3.534 -16.524 1.00 55.42 H new HETATM 0 HD21 DSG A 13 6.397 1.815 -16.672 1.00 55.42 H new HETATM 0 HB3 DSG A 13 9.122 1.515 -15.455 1.00 50.02 H new HETATM 0 HB2 DSG A 13 7.599 0.692 -15.185 1.00 50.02 H new HETATM 0 HA DSG A 13 8.980 0.417 -13.259 1.00 22.23 H new HETATM 204 N DLY A 14 6.958 2.740 -12.188 1.00 60.32 N HETATM 205 CA DLY A 14 5.799 3.066 -11.385 1.00 63.21 C HETATM 206 C DLY A 14 5.921 2.458 -9.987 1.00 50.41 C HETATM 207 O DLY A 14 4.928 2.113 -9.359 1.00 72.12 O HETATM 208 CB DLY A 14 5.718 4.579 -11.256 1.00 12.04 C HETATM 209 CG DLY A 14 4.462 5.104 -10.586 1.00 3.24 C HETATM 210 CD DLY A 14 4.605 6.574 -10.224 1.00 20.43 C HETATM 211 CE DLY A 14 5.023 7.421 -11.417 1.00 71.51 C HETATM 212 NZ DLY A 14 5.176 8.841 -11.058 1.00 62.21 N HETATM 0 HZ2 DLY A 14 5.454 9.519 -11.767 1.00 62.21 H new HETATM 0 HZ1 DLY A 14 5.004 9.146 -10.100 1.00 62.21 H new HETATM 0 HG3 DLY A 14 3.609 4.972 -11.252 1.00 3.24 H new HETATM 0 HG2 DLY A 14 4.257 4.524 -9.687 1.00 3.24 H new HETATM 0 HE3 DLY A 14 5.965 7.045 -11.817 1.00 71.51 H new HETATM 0 HE2 DLY A 14 4.279 7.325 -12.208 1.00 71.51 H new HETATM 0 HD3 DLY A 14 3.658 6.944 -9.832 1.00 20.43 H new HETATM 0 HD2 DLY A 14 5.342 6.681 -9.428 1.00 20.43 H new HETATM 0 HB3 DLY A 14 6.584 4.926 -10.692 1.00 12.04 H new HETATM 0 HB2 DLY A 14 5.790 5.017 -12.252 1.00 12.04 H new HETATM 0 HA DLY A 14 4.906 2.664 -11.864 1.00 63.21 H new HETATM 226 N DAS A 15 7.143 2.310 -9.535 1.00 21.54 N HETATM 227 CA DAS A 15 7.413 1.835 -8.195 1.00 24.44 C HETATM 228 C DAS A 15 7.379 0.313 -8.150 1.00 25.23 C HETATM 229 O DAS A 15 7.230 -0.283 -7.092 1.00 72.50 O HETATM 230 CB DAS A 15 8.752 2.387 -7.695 1.00 33.52 C HETATM 231 CG DAS A 15 9.014 2.126 -6.234 1.00 32.34 C HETATM 232 OD1 DAS A 15 8.188 2.544 -5.383 1.00 52.41 O HETATM 233 OD2 DAS A 15 10.072 1.585 -5.896 1.00 61.51 O HETATM 0 HB3 DAS A 15 9.557 1.946 -8.283 1.00 33.52 H new HETATM 0 HB2 DAS A 15 8.779 3.462 -7.872 1.00 33.52 H new HETATM 0 HA DAS A 15 6.633 2.199 -7.526 1.00 24.44 H new HETATM 238 N DCY A 16 7.532 -0.316 -9.298 1.00 63.44 N HETATM 239 CA DCY A 16 7.375 -1.767 -9.382 1.00 53.13 C HETATM 240 C DCY A 16 5.907 -2.170 -9.255 1.00 1.41 C HETATM 241 O DCY A 16 5.022 -1.464 -9.737 1.00 30.21 O HETATM 242 CB DCY A 16 7.943 -2.340 -10.681 1.00 72.43 C HETATM 243 SG DCY A 16 7.546 -4.117 -10.885 1.00 55.23 S HETATM 0 HB3 DCY A 16 7.545 -1.781 -11.528 1.00 72.43 H new HETATM 0 HB2 DCY A 16 9.025 -2.207 -10.692 1.00 72.43 H new HETATM 0 HA DCY A 16 7.942 -2.183 -8.549 1.00 53.13 H new HETATM 248 N DCY A 17 5.659 -3.328 -8.642 1.00 10.15 N HETATM 249 CA DCY A 17 4.302 -3.837 -8.441 1.00 21.24 C HETATM 250 C DCY A 17 3.641 -4.122 -9.803 1.00 61.33 C HETATM 251 O DCY A 17 2.431 -3.950 -9.975 1.00 32.11 O HETATM 252 CB DCY A 17 4.325 -5.142 -7.617 1.00 25.40 C HETATM 253 SG DCY A 17 5.313 -5.104 -6.068 1.00 50.54 S HETATM 0 HB3 DCY A 17 3.298 -5.405 -7.362 1.00 25.40 H new HETATM 0 HB2 DCY A 17 4.711 -5.941 -8.250 1.00 25.40 H new HETATM 0 HA DCY A 17 3.733 -3.080 -7.901 1.00 21.24 H new HETATM 258 N DSN A 18 4.446 -4.544 -10.771 1.00 64.01 N HETATM 259 CA DSN A 18 3.958 -4.867 -12.096 1.00 61.25 C HETATM 260 C DSN A 18 4.010 -3.637 -13.016 1.00 60.22 C HETATM 261 O DSN A 18 3.364 -3.611 -14.064 1.00 53.20 O HETATM 262 CB DSN A 18 4.816 -5.982 -12.677 1.00 11.03 C HETATM 263 OG DSN A 18 4.931 -7.059 -11.759 1.00 31.32 O HETATM 0 HG DSN A 18 5.875 -7.199 -11.536 1.00 31.32 H new HETATM 0 HB3 DSN A 18 4.376 -6.338 -13.609 1.00 11.03 H new HETATM 0 HB2 DSN A 18 5.807 -5.597 -12.919 1.00 11.03 H new HETATM 0 HA DSN A 18 2.920 -5.190 -12.023 1.00 61.25 H new HETATM 269 N DLY A 19 4.780 -2.625 -12.600 1.00 24.10 N HETATM 270 CA DLY A 19 4.985 -1.372 -13.353 1.00 75.45 C HETATM 271 C DLY A 19 5.617 -1.531 -14.747 1.00 22.32 C HETATM 272 O DLY A 19 5.578 -0.598 -15.551 1.00 25.14 O HETATM 273 CB DLY A 19 3.714 -0.511 -13.412 1.00 40.51 C HETATM 274 CG DLY A 19 3.331 0.090 -12.068 1.00 11.55 C HETATM 275 CD DLY A 19 2.076 0.951 -12.148 1.00 2.31 C HETATM 276 CE DLY A 19 2.252 2.167 -13.055 1.00 43.43 C HETATM 277 NZ DLY A 19 1.058 3.041 -13.048 1.00 51.32 N HETATM 0 HZ2 DLY A 19 1.044 3.890 -13.613 1.00 51.32 H new HETATM 0 HZ1 DLY A 19 0.249 2.794 -12.478 1.00 51.32 H new HETATM 0 HG3 DLY A 19 3.172 -0.712 -11.347 1.00 11.55 H new HETATM 0 HG2 DLY A 19 4.158 0.694 -11.695 1.00 11.55 H new HETATM 0 HE3 DLY A 19 3.122 2.739 -12.730 1.00 43.43 H new HETATM 0 HE2 DLY A 19 2.451 1.834 -14.073 1.00 43.43 H new HETATM 0 HD3 DLY A 19 1.248 0.345 -12.516 1.00 2.31 H new HETATM 0 HD2 DLY A 19 1.806 1.286 -11.147 1.00 2.31 H new HETATM 0 HB3 DLY A 19 3.861 0.293 -14.133 1.00 40.51 H new HETATM 0 HB2 DLY A 19 2.888 -1.120 -13.778 1.00 40.51 H new HETATM 0 HA DLY A 19 5.736 -0.843 -12.766 1.00 75.45 H new HETATM 291 N DLY A 20 6.258 -2.644 -15.008 1.00 74.33 N HETATM 292 CA DLY A 20 6.865 -2.873 -16.313 1.00 44.34 C HETATM 293 C DLY A 20 8.362 -3.045 -16.152 1.00 44.53 C HETATM 294 O DLY A 20 8.814 -4.104 -15.779 1.00 53.24 O HETATM 295 CB DLY A 20 6.269 -4.122 -16.978 1.00 71.21 C HETATM 296 CG DLY A 20 4.756 -4.076 -17.164 1.00 25.12 C HETATM 297 CD DLY A 20 4.216 -5.335 -17.841 1.00 0.10 C HETATM 298 CE DLY A 20 4.529 -6.601 -17.049 1.00 3.23 C HETATM 299 NZ DLY A 20 3.923 -7.798 -17.665 1.00 44.01 N HETATM 0 HZ2 DLY A 20 4.054 -8.714 -17.236 1.00 44.01 H new HETATM 0 HZ1 DLY A 20 3.373 -7.709 -18.519 1.00 44.01 H new HETATM 0 HG3 DLY A 20 4.276 -3.954 -16.193 1.00 25.12 H new HETATM 0 HG2 DLY A 20 4.492 -3.203 -17.761 1.00 25.12 H new HETATM 0 HE3 DLY A 20 5.609 -6.732 -16.986 1.00 3.23 H new HETATM 0 HE2 DLY A 20 4.161 -6.492 -16.029 1.00 3.23 H new HETATM 0 HD3 DLY A 20 3.137 -5.244 -17.964 1.00 0.10 H new HETATM 0 HD2 DLY A 20 4.644 -5.419 -18.840 1.00 0.10 H new HETATM 0 HB3 DLY A 20 6.738 -4.259 -17.952 1.00 71.21 H new HETATM 0 HB2 DLY A 20 6.522 -4.995 -16.376 1.00 71.21 H new HETATM 0 HA DLY A 20 6.660 -2.012 -16.949 1.00 44.34 H new HETATM 313 N DCY A 21 9.124 -2.020 -16.419 1.00 70.44 N HETATM 314 CA DCY A 21 10.553 -2.090 -16.196 1.00 20.34 C HETATM 315 C DCY A 21 11.308 -1.831 -17.459 1.00 22.24 C HETATM 316 O DCY A 21 10.902 -0.999 -18.277 1.00 24.10 O HETATM 317 CB DCY A 21 10.994 -1.133 -15.088 1.00 50.42 C HETATM 318 SG DCY A 21 10.247 -1.490 -13.458 1.00 35.14 S HETATM 0 HB3 DCY A 21 12.079 -1.175 -14.996 1.00 50.42 H new HETATM 0 HB2 DCY A 21 10.738 -0.114 -15.379 1.00 50.42 H new HETATM 0 HA DCY A 21 10.784 -3.103 -15.868 1.00 20.34 H new HETATM 323 N DLY A 22 12.379 -2.555 -17.637 1.00 14.25 N HETATM 324 CA DLY A 22 13.185 -2.445 -18.808 1.00 13.51 C HETATM 325 C DLY A 22 14.540 -3.069 -18.501 1.00 2.23 C HETATM 326 O DLY A 22 14.657 -3.872 -17.568 1.00 53.11 O HETATM 327 CB DLY A 22 12.520 -3.256 -19.920 1.00 75.23 C HETATM 328 CG DLY A 22 13.029 -2.971 -21.318 1.00 53.24 C HETATM 329 CD DLY A 22 12.653 -4.093 -22.273 1.00 33.31 C HETATM 330 CE DLY A 22 11.159 -4.341 -22.316 1.00 20.13 C HETATM 331 NZ DLY A 22 10.831 -5.529 -23.114 1.00 32.24 N HETATM 0 HZ2 DLY A 22 9.858 -5.814 -23.228 1.00 32.24 H new HETATM 0 HZ1 DLY A 22 11.576 -6.069 -23.554 1.00 32.24 H new HETATM 0 HG3 DLY A 22 12.613 -2.029 -21.676 1.00 53.24 H new HETATM 0 HG2 DLY A 22 14.112 -2.853 -21.298 1.00 53.24 H new HETATM 0 HE3 DLY A 22 10.781 -4.468 -21.301 1.00 20.13 H new HETATM 0 HE2 DLY A 22 10.657 -3.470 -22.736 1.00 20.13 H new HETATM 0 HD3 DLY A 22 13.006 -3.847 -23.274 1.00 33.31 H new HETATM 0 HD2 DLY A 22 13.162 -5.009 -21.971 1.00 33.31 H new HETATM 0 HB3 DLY A 22 12.660 -4.316 -19.708 1.00 75.23 H new HETATM 0 HB2 DLY A 22 11.447 -3.065 -19.895 1.00 75.23 H new HETATM 0 HA DLY A 22 13.298 -1.404 -19.110 1.00 13.51 H new HETATM 0 H DLY A 22 12.756 -2.996 -16.798 1.00 14.25 H new HETATM 345 N DAR A 23 15.538 -2.707 -19.251 1.00 50.14 N HETATM 346 CA DAR A 23 16.844 -3.330 -19.149 1.00 62.11 C HETATM 347 CB DAR A 23 17.958 -2.259 -19.274 1.00 74.35 C HETATM 348 CG DAR A 23 19.359 -2.759 -18.917 1.00 0.31 C HETATM 349 CD DAR A 23 20.454 -1.764 -19.271 1.00 1.23 C HETATM 350 NE DAR A 23 20.277 -0.462 -18.635 1.00 13.04 N HETATM 351 CZ DAR A 23 21.151 0.107 -17.792 1.00 43.42 C HETATM 352 NH1 DAR A 23 22.132 -0.611 -17.253 1.00 31.14 N HETATM 353 NH2 DAR A 23 21.000 1.377 -17.442 1.00 14.21 N HETATM 354 C DAR A 23 16.931 -4.306 -20.330 1.00 1.22 C HETATM 355 O DAR A 23 15.967 -4.405 -21.097 1.00 2.51 O HETATM 0 HH22 DAR A 23 21.664 1.812 -16.801 1.00 14.21 H new HETATM 0 HH21 DAR A 23 20.220 1.919 -17.814 1.00 14.21 H new HETATM 0 HH12 DAR A 23 22.793 -0.171 -16.613 1.00 31.14 H new HETATM 0 HH11 DAR A 23 22.223 -1.601 -17.480 1.00 31.14 H new HETATM 0 HG3 DAR A 23 19.401 -2.972 -17.849 1.00 0.31 H new HETATM 0 HG2 DAR A 23 19.547 -3.698 -19.437 1.00 0.31 H new HETATM 0 HE DAR A 23 19.424 0.054 -18.848 1.00 13.04 H new HETATM 0 HD3 DAR A 23 21.419 -2.176 -18.977 1.00 1.23 H new HETATM 0 HD2 DAR A 23 20.480 -1.632 -20.353 1.00 1.23 H new HETATM 0 HB3 DAR A 23 17.970 -1.882 -20.297 1.00 74.35 H new HETATM 0 HB2 DAR A 23 17.710 -1.417 -18.627 1.00 74.35 H new HETATM 0 HA DAR A 23 16.974 -3.834 -18.191 1.00 62.11 H new HETATM 0 H DAR A 23 15.463 -1.699 -19.386 1.00 50.14 H new HETATM 369 N DAR A 24 18.040 -5.039 -20.447 1.00 5.21 N HETATM 370 CA DAR A 24 18.350 -5.903 -21.597 1.00 65.13 C HETATM 371 CB DAR A 24 18.121 -5.189 -22.963 1.00 64.55 C HETATM 372 CG DAR A 24 18.817 -3.839 -23.107 1.00 22.21 C HETATM 373 CD DAR A 24 20.310 -3.937 -22.882 1.00 10.00 C HETATM 374 NE DAR A 24 20.945 -2.619 -22.913 1.00 25.54 N HETATM 375 CZ DAR A 24 22.121 -2.318 -22.354 1.00 50.51 C HETATM 376 NH1 DAR A 24 22.825 -3.257 -21.734 1.00 23.12 N HETATM 377 NH2 DAR A 24 22.587 -1.074 -22.409 1.00 41.23 N HETATM 378 C DAR A 24 17.562 -7.194 -21.522 1.00 4.13 C HETATM 379 O DAR A 24 17.003 -7.534 -20.467 1.00 1.12 O HETATM 0 HH22 DAR A 24 23.485 -0.846 -21.982 1.00 41.23 H new HETATM 0 HH21 DAR A 24 22.047 -0.347 -22.878 1.00 41.23 H new HETATM 0 HH12 DAR A 24 23.722 -3.024 -21.308 1.00 23.12 H new HETATM 0 HH11 DAR A 24 22.469 -4.211 -21.683 1.00 23.12 H new HETATM 0 HG3 DAR A 24 18.627 -3.439 -24.103 1.00 22.21 H new HETATM 0 HG2 DAR A 24 18.390 -3.134 -22.394 1.00 22.21 H new HETATM 0 HE DAR A 24 20.451 -1.871 -23.400 1.00 25.54 H new HETATM 0 HD3 DAR A 24 20.504 -4.413 -21.921 1.00 10.00 H new HETATM 0 HD2 DAR A 24 20.753 -4.574 -23.648 1.00 10.00 H new HETATM 0 HB3 DAR A 24 18.465 -5.846 -23.762 1.00 64.55 H new HETATM 0 HB2 DAR A 24 17.050 -5.046 -23.107 1.00 64.55 H new HETATM 0 HA DAR A 24 19.413 -6.137 -21.542 1.00 65.13 H new HETATM 0 H2 DAR A 24 18.151 -5.395 -19.497 1.00 5.21 H new ATOM 393 N GLY A 25 17.577 -7.949 -22.601 1.00 52.23 N ATOM 394 CA GLY A 25 16.842 -9.180 -22.666 1.00 70.21 C ATOM 395 C GLY A 25 17.565 -10.308 -21.984 1.00 52.11 C ATOM 396 O GLY A 25 18.007 -11.269 -22.627 1.00 12.52 O ATOM 0 H GLY A 25 18.097 -7.723 -23.448 1.00 52.23 H new ATOM 0 HA2 GLY A 25 15.865 -9.043 -22.202 1.00 70.21 H new ATOM 0 HA3 GLY A 25 16.666 -9.442 -23.709 1.00 70.21 H new HETATM 400 N DTH A 26 17.705 -10.199 -20.698 1.00 13.12 N HETATM 401 CA DTH A 26 18.335 -11.219 -19.908 1.00 75.45 C HETATM 402 CB DTH A 26 17.264 -12.173 -19.319 1.00 54.42 C HETATM 403 CG2 DTH A 26 16.315 -11.429 -18.373 1.00 41.11 C HETATM 404 OG1 DTH A 26 16.495 -12.754 -20.389 1.00 74.34 O HETATM 405 C DTH A 26 19.163 -10.627 -18.762 1.00 41.21 C HETATM 406 O DTH A 26 19.706 -11.368 -17.948 1.00 3.31 O HETATM 0 HG23 DTH A 26 16.885 -10.998 -17.550 1.00 41.11 H new HETATM 0 HG22 DTH A 26 15.808 -10.633 -18.918 1.00 41.11 H new HETATM 0 HG21 DTH A 26 15.576 -12.126 -17.977 1.00 41.11 H new HETATM 0 HG1 DTH A 26 15.819 -13.358 -20.016 1.00 74.34 H new HETATM 0 HB DTH A 26 17.780 -12.950 -18.755 1.00 54.42 H new HETATM 0 HA DTH A 26 19.008 -11.768 -20.567 1.00 75.45 H new HETATM 414 N DSG A 27 19.284 -9.307 -18.700 1.00 40.42 N HETATM 415 CA DSG A 27 19.973 -8.696 -17.576 1.00 44.41 C HETATM 416 C DSG A 27 20.468 -7.303 -17.950 1.00 32.14 C HETATM 417 O DSG A 27 19.851 -6.622 -18.777 1.00 33.14 O HETATM 418 CB DSG A 27 19.033 -8.635 -16.363 1.00 43.23 C HETATM 419 CG DSG A 27 19.748 -8.323 -15.070 1.00 10.03 C HETATM 420 OD1 DSG A 27 19.906 -7.176 -14.694 1.00 61.42 O HETATM 421 ND2 DSG A 27 20.171 -9.345 -14.371 1.00 33.45 N HETATM 0 HD22 DSG A 27 20.660 -9.192 -13.489 1.00 33.45 H new HETATM 0 HD21 DSG A 27 20.011 -10.294 -14.708 1.00 33.45 H new HETATM 0 HB3 DSG A 27 18.270 -7.877 -16.541 1.00 43.23 H new HETATM 0 HB2 DSG A 27 18.517 -9.590 -16.264 1.00 43.23 H new HETATM 0 HA DSG A 27 20.840 -9.303 -17.315 1.00 44.41 H new HETATM 0 H DSG A 27 19.192 -8.799 -19.580 1.00 40.42 H new HETATM 428 N DIL A 28 21.572 -6.890 -17.361 1.00 42.03 N HETATM 429 CA DIL A 28 22.202 -5.605 -17.676 1.00 62.52 C HETATM 430 C DIL A 28 21.676 -4.472 -16.776 1.00 63.22 C HETATM 431 O DIL A 28 21.973 -3.300 -17.000 1.00 32.32 O HETATM 432 CB DIL A 28 23.757 -5.718 -17.571 1.00 64.11 C HETATM 433 CG1 DIL A 28 24.198 -5.914 -16.106 1.00 34.34 C HETATM 434 CG2 DIL A 28 24.470 -4.535 -18.229 1.00 61.02 C HETATM 435 CD1 DIL A 28 25.683 -6.127 -15.927 1.00 31.43 C HETATM 0 HG23 DIL A 28 24.205 -4.492 -19.285 1.00 61.02 H new HETATM 0 HG22 DIL A 28 24.165 -3.609 -17.741 1.00 61.02 H new HETATM 0 HG21 DIL A 28 25.548 -4.659 -18.130 1.00 61.02 H new HETATM 0 HG13 DIL A 28 23.896 -5.041 -15.528 1.00 34.34 H new HETATM 0 HG12 DIL A 28 23.667 -6.771 -15.691 1.00 34.34 H new HETATM 0 HD13 DIL A 28 25.991 -7.018 -16.474 1.00 31.43 H new HETATM 0 HD12 DIL A 28 26.223 -5.261 -16.309 1.00 31.43 H new HETATM 0 HD11 DIL A 28 25.907 -6.256 -14.868 1.00 31.43 H new HETATM 0 HB DIL A 28 24.057 -6.605 -18.129 1.00 64.11 H new HETATM 0 HA DIL A 28 21.937 -5.352 -18.703 1.00 62.52 H new HETATM 447 N DGL A 29 20.896 -4.804 -15.790 1.00 42.14 N HETATM 448 CA DGL A 29 20.326 -3.800 -14.930 1.00 62.02 C HETATM 449 C DGL A 29 18.862 -3.616 -15.285 1.00 1.45 C HETATM 450 O DGL A 29 18.286 -4.428 -16.022 1.00 45.13 O HETATM 451 CB DGL A 29 20.447 -4.197 -13.455 1.00 14.22 C HETATM 452 CG DGL A 29 21.871 -4.393 -12.958 1.00 70.32 C HETATM 453 CD DGL A 29 21.914 -4.778 -11.498 1.00 74.35 C HETATM 454 OE1 DGL A 29 21.887 -5.989 -11.184 1.00 43.04 O HETATM 455 OE2 DGL A 29 21.966 -3.877 -10.629 1.00 32.23 O HETATM 0 HG3 DGL A 29 22.359 -5.167 -13.551 1.00 70.32 H new HETATM 0 HG2 DGL A 29 22.437 -3.473 -13.107 1.00 70.32 H new HETATM 0 HE2 DGL A 29 21.978 -4.283 -9.737 1.00 32.23 H new HETATM 0 HB3 DGL A 29 19.968 -3.429 -12.847 1.00 14.22 H new HETATM 0 HB2 DGL A 29 19.892 -5.122 -13.296 1.00 14.22 H new HETATM 0 HA DGL A 29 20.872 -2.868 -15.076 1.00 62.02 H new HETATM 462 N DLY A 30 18.278 -2.542 -14.815 1.00 43.53 N HETATM 463 CA DLY A 30 16.862 -2.323 -14.978 1.00 51.35 C HETATM 464 C DLY A 30 16.119 -3.335 -14.150 1.00 24.01 C HETATM 465 O DLY A 30 16.374 -3.459 -12.957 1.00 73.32 O HETATM 466 CB DLY A 30 16.460 -0.930 -14.481 1.00 73.33 C HETATM 467 CG DLY A 30 16.877 0.247 -15.341 1.00 31.03 C HETATM 468 CD DLY A 30 16.108 0.285 -16.642 1.00 45.24 C HETATM 469 CE DLY A 30 16.337 1.597 -17.368 1.00 52.42 C HETATM 470 NZ DLY A 30 15.583 1.664 -18.627 1.00 43.41 N HETATM 0 HZ2 DLY A 30 15.647 2.494 -19.216 1.00 43.41 H new HETATM 0 HZ1 DLY A 30 14.996 0.880 -18.912 1.00 43.41 H new HETATM 0 HG3 DLY A 30 16.713 1.175 -14.793 1.00 31.03 H new HETATM 0 HG2 DLY A 30 17.945 0.185 -15.550 1.00 31.03 H new HETATM 0 HE3 DLY A 30 16.042 2.425 -16.723 1.00 52.42 H new HETATM 0 HE2 DLY A 30 17.400 1.717 -17.575 1.00 52.42 H new HETATM 0 HD3 DLY A 30 16.418 -0.545 -17.277 1.00 45.24 H new HETATM 0 HD2 DLY A 30 15.044 0.155 -16.444 1.00 45.24 H new HETATM 0 HB3 DLY A 30 15.375 -0.907 -14.375 1.00 73.33 H new HETATM 0 HB2 DLY A 30 16.881 -0.790 -13.485 1.00 73.33 H new HETATM 0 HA DLY A 30 16.620 -2.413 -16.037 1.00 51.35 H new HETATM 484 N DAR A 31 15.245 -4.072 -14.758 1.00 52.14 N HETATM 485 CA DAR A 31 14.415 -4.984 -14.024 1.00 23.12 C HETATM 486 CB DAR A 31 14.749 -6.460 -14.243 1.00 41.31 C HETATM 487 CG DAR A 31 16.034 -6.953 -13.623 1.00 23.14 C HETATM 488 CD DAR A 31 16.065 -8.461 -13.710 1.00 73.10 C HETATM 489 NE DAR A 31 17.161 -9.062 -12.963 1.00 44.52 N HETATM 490 CZ DAR A 31 17.233 -10.365 -12.663 1.00 5.11 C HETATM 491 NH1 DAR A 31 16.208 -11.175 -12.919 1.00 50.33 N HETATM 492 NH2 DAR A 31 18.306 -10.848 -12.078 1.00 12.23 N HETATM 493 C DAR A 31 12.992 -4.783 -14.379 1.00 64.33 C HETATM 494 O DAR A 31 12.677 -4.333 -15.478 1.00 1.21 O HETATM 0 HH22 DAR A 31 18.359 -11.841 -11.850 1.00 12.23 H new HETATM 0 HH21 DAR A 31 19.085 -10.230 -11.852 1.00 12.23 H new HETATM 0 HH12 DAR A 31 16.271 -12.166 -12.687 1.00 50.33 H new HETATM 0 HH11 DAR A 31 15.360 -10.804 -13.347 1.00 50.33 H new HETATM 0 HG3 DAR A 31 16.892 -6.527 -14.142 1.00 23.14 H new HETATM 0 HG2 DAR A 31 16.099 -6.633 -12.583 1.00 23.14 H new HETATM 0 HE DAR A 31 17.918 -8.455 -12.650 1.00 44.52 H new HETATM 0 HD3 DAR A 31 15.121 -8.858 -13.338 1.00 73.10 H new HETATM 0 HD2 DAR A 31 16.144 -8.755 -14.756 1.00 73.10 H new HETATM 0 HB3 DAR A 31 13.927 -7.059 -13.850 1.00 41.31 H new HETATM 0 HB2 DAR A 31 14.794 -6.645 -15.316 1.00 41.31 H new HETATM 0 HA DAR A 31 14.608 -4.757 -12.976 1.00 23.12 H new HETATM 508 N DCY A 32 12.147 -5.094 -13.465 1.00 63.33 N HETATM 509 CA DCY A 32 10.764 -5.100 -13.711 1.00 44.41 C HETATM 510 C DCY A 32 10.477 -6.481 -14.225 1.00 44.31 C HETATM 511 O DCY A 32 10.824 -7.463 -13.556 1.00 30.13 O HETATM 512 CB DCY A 32 9.973 -4.815 -12.437 1.00 70.33 C HETATM 513 SG DCY A 32 8.193 -4.600 -12.711 1.00 14.25 S HETATM 0 HB3 DCY A 32 10.126 -5.634 -11.735 1.00 70.33 H new HETATM 0 HB2 DCY A 32 10.370 -3.915 -11.968 1.00 70.33 H new HETATM 0 HA DCY A 32 10.472 -4.326 -14.420 1.00 44.41 H new HETATM 518 N DAR A 33 9.944 -6.563 -15.419 1.00 73.13 N HETATM 519 CA DAR A 33 9.704 -7.809 -16.098 1.00 63.35 C HETATM 520 CB DAR A 33 10.812 -8.110 -17.126 1.00 61.53 C HETATM 521 CG DAR A 33 12.202 -8.307 -16.542 1.00 31.31 C HETATM 522 CD DAR A 33 13.217 -8.621 -17.627 1.00 73.23 C HETATM 523 NE DAR A 33 13.428 -7.500 -18.558 1.00 62.20 N HETATM 524 CZ DAR A 33 13.812 -7.631 -19.838 1.00 11.01 C HETATM 525 NH1 DAR A 33 13.820 -8.828 -20.422 1.00 60.24 N HETATM 526 NH2 DAR A 33 14.154 -6.566 -20.532 1.00 23.32 N HETATM 527 C DAR A 33 8.375 -7.737 -16.805 1.00 64.21 C HETATM 528 O DAR A 33 7.422 -8.404 -16.368 1.00 44.01 O HETATM 529 OXT DAR A 33 8.269 -6.999 -17.787 1.00 0.00 O HETATM 0 HH22 DAR A 33 14.446 -6.663 -21.504 1.00 23.32 H new HETATM 0 HH21 DAR A 33 14.127 -5.644 -20.097 1.00 23.32 H new HETATM 0 HH12 DAR A 33 14.113 -8.919 -21.395 1.00 60.24 H new HETATM 0 HH11 DAR A 33 13.533 -9.654 -19.897 1.00 60.24 H new HETATM 0 HG3 DAR A 33 12.505 -7.407 -16.007 1.00 31.31 H new HETATM 0 HG2 DAR A 33 12.181 -9.118 -15.814 1.00 31.31 H new HETATM 0 HE DAR A 33 13.271 -6.556 -18.205 1.00 62.20 H new HETATM 0 HD3 DAR A 33 14.167 -8.885 -17.163 1.00 73.23 H new HETATM 0 HD2 DAR A 33 12.883 -9.494 -18.188 1.00 73.23 H new HETATM 0 HB3 DAR A 33 10.537 -9.008 -17.679 1.00 61.53 H new HETATM 0 HB2 DAR A 33 10.850 -7.292 -17.845 1.00 61.53 H new HETATM 0 HA DAR A 33 9.700 -8.609 -15.358 1.00 63.35 H new TER 543 DAR A 33