USER MOD reduce.3.24.130724 H: found=0, std=0, add=253, rem=0, adj=7 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 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 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 24 DAR H2 : A 24 DAR N : A 23 DAR 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+ -137:sc= 0.0134 (180deg=0) USER MOD Single : A 2 DAS OD2 : rot -53:sc= -0.351 USER MOD Single : A 12 DGL OE2 : rot 178:sc= 0 USER MOD Single : A 15 DAS OD2 : rot 178:sc= 0 USER MOD Single : A 18 DSN OG : rot -146:sc= 1.24 USER MOD Single : A 26 DTH OG1 : rot 140:sc= -0.0669 USER MOD Single : A 29 DGL OE2 : rot 177:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.390 -4.258 0.113 1.00 44.12 N ATOM 2 CA GLY A 1 3.859 -3.603 -1.077 1.00 62.22 C ATOM 3 C GLY A 1 4.898 -2.713 -1.673 1.00 35.02 C ATOM 4 O GLY A 1 6.049 -3.123 -1.809 1.00 25.52 O ATOM 0 H1 GLY A 1 4.110 -5.259 0.112 1.00 44.12 H new ATOM 0 H2 GLY A 1 5.428 -4.189 0.113 1.00 44.12 H new ATOM 0 H3 GLY A 1 4.012 -3.793 0.963 1.00 44.12 H new ATOM 0 HA2 GLY A 1 3.547 -4.351 -1.806 1.00 62.22 H new ATOM 0 HA3 GLY A 1 2.974 -3.021 -0.818 1.00 62.22 H new HETATM 10 N DAS A 2 4.532 -1.493 -2.010 1.00 62.34 N HETATM 11 CA DAS A 2 5.500 -0.535 -2.533 1.00 53.20 C HETATM 12 C DAS A 2 5.756 -0.755 -4.001 1.00 62.51 C HETATM 13 O DAS A 2 5.081 -0.172 -4.872 1.00 75.01 O HETATM 14 CB DAS A 2 5.100 0.920 -2.253 1.00 72.50 C HETATM 15 CG DAS A 2 6.068 1.935 -2.838 1.00 43.03 C HETATM 16 OD1 DAS A 2 7.189 2.074 -2.319 1.00 13.55 O HETATM 17 OD2 DAS A 2 5.694 2.667 -3.794 1.00 3.22 O HETATM 0 HD2 DAS A 2 5.338 2.107 -4.515 1.00 3.22 H new HETATM 0 HB3 DAS A 2 4.105 1.101 -2.661 1.00 72.50 H new HETATM 0 HB2 DAS A 2 5.035 1.070 -1.175 1.00 72.50 H new HETATM 0 HA DAS A 2 6.432 -0.715 -1.997 1.00 53.20 H new HETATM 22 N DCY A 3 6.643 -1.678 -4.252 1.00 14.00 N HETATM 23 CA DCY A 3 7.112 -2.009 -5.560 1.00 54.25 C HETATM 24 C DCY A 3 8.161 -3.090 -5.425 1.00 65.31 C HETATM 25 O DCY A 3 8.239 -3.774 -4.388 1.00 42.35 O HETATM 26 CB DCY A 3 5.970 -2.479 -6.494 1.00 4.22 C HETATM 27 SG DCY A 3 5.085 -3.988 -5.957 1.00 25.33 S HETATM 0 HB3 DCY A 3 5.247 -1.669 -6.591 1.00 4.22 H new HETATM 0 HB2 DCY A 3 6.385 -2.656 -7.486 1.00 4.22 H new HETATM 0 HA DCY A 3 7.535 -1.114 -6.017 1.00 54.25 H new HETATM 0 H DCY A 3 7.025 -2.157 -3.437 1.00 14.00 H new HETATM 32 N DLE A 4 8.998 -3.181 -6.398 1.00 60.34 N HETATM 33 CA DLE A 4 9.992 -4.193 -6.494 1.00 50.23 C HETATM 34 CB DLE A 4 11.309 -3.603 -7.053 1.00 75.25 C HETATM 35 CG DLE A 4 12.180 -2.742 -6.077 1.00 53.01 C HETATM 36 CD1 DLE A 4 13.365 -2.156 -6.791 1.00 41.12 C HETATM 37 CD2 DLE A 4 11.403 -1.624 -5.413 1.00 1.23 C HETATM 38 C DLE A 4 9.402 -5.271 -7.386 1.00 74.43 C HETATM 39 O DLE A 4 8.751 -4.938 -8.398 1.00 12.43 O HETATM 0 HD23 DLE A 4 11.005 -0.955 -6.176 1.00 1.23 H new HETATM 0 HD22 DLE A 4 10.581 -2.046 -4.835 1.00 1.23 H new HETATM 0 HD21 DLE A 4 12.064 -1.066 -4.750 1.00 1.23 H new HETATM 0 HD13 DLE A 4 13.981 -2.960 -7.194 1.00 41.12 H new HETATM 0 HD12 DLE A 4 13.020 -1.520 -7.606 1.00 41.12 H new HETATM 0 HD11 DLE A 4 13.954 -1.562 -6.092 1.00 41.12 H new HETATM 0 HG DLE A 4 12.512 -3.426 -5.296 1.00 53.01 H new HETATM 0 HB3 DLE A 4 11.922 -4.429 -7.414 1.00 75.25 H new HETATM 0 HB2 DLE A 4 11.063 -2.987 -7.918 1.00 75.25 H new HETATM 0 HA DLE A 4 10.253 -4.615 -5.523 1.00 50.23 H new HETATM 0 H DLE A 4 9.214 -2.225 -6.682 1.00 60.34 H new HETATM 51 N DPR A 5 9.595 -6.553 -7.050 1.00 74.31 N HETATM 52 CA DPR A 5 8.857 -7.638 -7.675 1.00 11.05 C HETATM 53 CB DPR A 5 9.102 -8.839 -6.733 1.00 50.02 C HETATM 54 CG DPR A 5 9.915 -8.299 -5.591 1.00 2.33 C HETATM 55 CD DPR A 5 10.595 -7.075 -6.112 1.00 24.35 C HETATM 56 C DPR A 5 9.304 -7.960 -9.095 1.00 22.52 C HETATM 57 O DPR A 5 10.377 -7.553 -9.542 1.00 60.55 O HETATM 0 HG3 DPR A 5 9.279 -8.059 -4.739 1.00 2.33 H new HETATM 0 HG2 DPR A 5 10.643 -9.034 -5.249 1.00 2.33 H new HETATM 0 HD3 DPR A 5 11.537 -7.310 -6.607 1.00 24.35 H new HETATM 0 HD2 DPR A 5 10.821 -6.364 -5.318 1.00 24.35 H new HETATM 0 HB3 DPR A 5 8.160 -9.258 -6.379 1.00 50.02 H new HETATM 0 HB2 DPR A 5 9.633 -9.639 -7.248 1.00 50.02 H new HETATM 0 HA DPR A 5 7.806 -7.373 -7.792 1.00 11.05 H new HETATM 65 N DHI A 6 8.454 -8.680 -9.796 1.00 31.22 N HETATM 66 CA DHI A 6 8.723 -9.106 -11.153 1.00 11.41 C HETATM 67 C DHI A 6 9.885 -10.106 -11.157 1.00 1.32 C HETATM 68 O DHI A 6 10.028 -10.901 -10.217 1.00 2.54 O HETATM 69 CB DHI A 6 7.464 -9.729 -11.808 1.00 54.33 C HETATM 70 CG DHI A 6 7.115 -11.122 -11.345 1.00 71.41 C HETATM 71 ND1 DHI A 6 7.111 -12.210 -12.186 1.00 2.55 N HETATM 72 CD2 DHI A 6 6.793 -11.601 -10.121 1.00 70.30 C HETATM 73 CE1 DHI A 6 6.812 -13.286 -11.500 1.00 74.23 C HETATM 74 NE2 DHI A 6 6.614 -12.945 -10.251 1.00 0.45 N HETATM 0 HE2 DHI A 6 6.365 -13.584 -9.496 1.00 0.45 H new HETATM 0 HE1 DHI A 6 6.740 -14.297 -11.902 1.00 74.23 H new HETATM 0 HD2 DHI A 6 6.695 -11.020 -9.204 1.00 70.30 H new HETATM 0 HD1 DHI A 6 7.309 -12.184 -13.186 1.00 2.55 H new HETATM 0 HB3 DHI A 6 6.613 -9.076 -11.613 1.00 54.33 H new HETATM 0 HB2 DHI A 6 7.610 -9.749 -12.888 1.00 54.33 H new HETATM 0 HA DHI A 6 8.999 -8.232 -11.742 1.00 11.41 H new HETATM 83 N DLE A 7 10.685 -10.040 -12.203 1.00 44.01 N HETATM 84 CA DLE A 7 11.892 -10.834 -12.395 1.00 75.52 C HETATM 85 CB DLE A 7 11.648 -12.358 -12.277 1.00 34.22 C HETATM 86 CG DLE A 7 11.135 -13.081 -13.543 1.00 35.41 C HETATM 87 CD1 DLE A 7 10.774 -14.511 -13.238 1.00 31.45 C HETATM 88 CD2 DLE A 7 9.977 -12.354 -14.205 1.00 73.31 C HETATM 89 C DLE A 7 12.984 -10.341 -11.476 1.00 63.51 C HETATM 90 O DLE A 7 13.958 -11.043 -11.207 1.00 74.13 O HETATM 0 HD23 DLE A 7 9.146 -12.279 -13.504 1.00 73.31 H new HETATM 0 HD22 DLE A 7 10.295 -11.354 -14.498 1.00 73.31 H new HETATM 0 HD21 DLE A 7 9.658 -12.907 -15.089 1.00 73.31 H new HETATM 0 HD13 DLE A 7 11.654 -15.037 -12.867 1.00 31.45 H new HETATM 0 HD12 DLE A 7 9.991 -14.535 -12.480 1.00 31.45 H new HETATM 0 HD11 DLE A 7 10.416 -14.997 -14.145 1.00 31.45 H new HETATM 0 HG DLE A 7 11.956 -13.077 -14.260 1.00 35.41 H new HETATM 0 HB3 DLE A 7 12.582 -12.829 -11.972 1.00 34.22 H new HETATM 0 HB2 DLE A 7 10.929 -12.526 -11.475 1.00 34.22 H new HETATM 0 HA DLE A 7 12.223 -10.691 -13.424 1.00 75.52 H new HETATM 102 N DLY A 8 12.849 -9.087 -11.066 1.00 74.50 N HETATM 103 CA DLY A 8 13.801 -8.440 -10.149 1.00 21.22 C HETATM 104 C DLY A 8 14.202 -7.108 -10.710 1.00 75.12 C HETATM 105 O DLY A 8 13.823 -6.778 -11.808 1.00 12.23 O HETATM 106 CB DLY A 8 13.253 -8.251 -8.700 1.00 23.21 C HETATM 107 CG DLY A 8 13.347 -9.462 -7.771 1.00 41.41 C HETATM 108 CD DLY A 8 12.424 -10.589 -8.171 1.00 14.11 C HETATM 109 CE DLY A 8 12.678 -11.842 -7.356 1.00 41.32 C HETATM 110 NZ DLY A 8 12.552 -11.619 -5.899 1.00 51.34 N HETATM 0 HZ2 DLY A 8 12.701 -12.392 -5.250 1.00 51.34 H new HETATM 0 HZ1 DLY A 8 12.316 -10.693 -5.543 1.00 51.34 H new HETATM 0 HG3 DLY A 8 14.374 -9.827 -7.763 1.00 41.41 H new HETATM 0 HG2 DLY A 8 13.111 -9.151 -6.753 1.00 41.41 H new HETATM 0 HE3 DLY A 8 11.975 -12.616 -7.662 1.00 41.32 H new HETATM 0 HE2 DLY A 8 13.678 -12.215 -7.576 1.00 41.32 H new HETATM 0 HD3 DLY A 8 11.389 -10.274 -8.040 1.00 14.11 H new HETATM 0 HD2 DLY A 8 12.559 -10.811 -9.230 1.00 14.11 H new HETATM 0 HB3 DLY A 8 13.791 -7.424 -8.237 1.00 23.21 H new HETATM 0 HB2 DLY A 8 12.207 -7.953 -8.767 1.00 23.21 H new HETATM 0 HA DLY A 8 14.658 -9.108 -10.068 1.00 21.22 H new HETATM 0 H DLY A 8 12.569 -8.616 -11.926 1.00 74.50 H new HETATM 124 N DLE A 9 14.953 -6.357 -9.962 1.00 23.24 N HETATM 125 CA DLE A 9 15.410 -5.060 -10.396 1.00 70.33 C HETATM 126 CB DLE A 9 16.835 -4.699 -9.839 1.00 4.42 C HETATM 127 CG DLE A 9 17.168 -4.875 -8.309 1.00 73.03 C HETATM 128 CD1 DLE A 9 16.150 -4.248 -7.372 1.00 32.21 C HETATM 129 CD2 DLE A 9 17.463 -6.321 -7.927 1.00 70.14 C HETATM 130 C DLE A 9 14.380 -3.971 -10.100 1.00 10.42 C HETATM 131 O DLE A 9 13.393 -4.214 -9.409 1.00 0.21 O HETATM 0 HD23 DLE A 9 16.595 -6.941 -8.150 1.00 70.14 H new HETATM 0 HD22 DLE A 9 18.321 -6.680 -8.496 1.00 70.14 H new HETATM 0 HD21 DLE A 9 17.685 -6.378 -6.861 1.00 70.14 H new HETATM 0 HD13 DLE A 9 16.090 -3.177 -7.564 1.00 32.21 H new HETATM 0 HD12 DLE A 9 15.173 -4.702 -7.540 1.00 32.21 H new HETATM 0 HD11 DLE A 9 16.455 -4.415 -6.339 1.00 32.21 H new HETATM 0 HG DLE A 9 18.088 -4.308 -8.170 1.00 73.03 H new HETATM 0 HB3 DLE A 9 17.558 -5.296 -10.395 1.00 4.42 H new HETATM 0 HB2 DLE A 9 17.023 -3.655 -10.090 1.00 4.42 H new HETATM 0 HA DLE A 9 15.518 -5.115 -11.479 1.00 70.33 H new HETATM 0 H DLE A 9 15.542 -6.929 -9.357 1.00 23.24 H new HETATM 143 N DCY A 10 14.603 -2.805 -10.638 1.00 45.53 N HETATM 144 CA DCY A 10 13.759 -1.656 -10.433 1.00 62.53 C HETATM 145 C DCY A 10 14.522 -0.441 -10.881 1.00 23.40 C HETATM 146 O DCY A 10 15.698 -0.558 -11.246 1.00 51.15 O HETATM 147 CB DCY A 10 12.450 -1.797 -11.226 1.00 34.22 C HETATM 148 SG DCY A 10 12.693 -2.201 -12.987 1.00 44.24 S HETATM 0 HB3 DCY A 10 11.840 -2.574 -10.766 1.00 34.22 H new HETATM 0 HB2 DCY A 10 11.889 -0.865 -11.151 1.00 34.22 H new HETATM 0 HA DCY A 10 13.493 -1.567 -9.380 1.00 62.53 H new HETATM 0 H DCY A 10 15.538 -2.688 -11.027 1.00 45.53 H new HETATM 153 N DLY A 11 13.917 0.716 -10.818 1.00 54.41 N HETATM 154 CA DLY A 11 14.559 1.884 -11.327 1.00 23.32 C HETATM 155 C DLY A 11 13.667 2.495 -12.375 1.00 53.15 C HETATM 156 O DLY A 11 14.108 2.776 -13.487 1.00 24.34 O HETATM 157 CB DLY A 11 14.915 2.882 -10.225 1.00 3.13 C HETATM 158 CG DLY A 11 15.766 4.054 -10.719 1.00 43.54 C HETATM 159 CD DLY A 11 17.112 3.568 -11.256 1.00 40.33 C HETATM 160 CE DLY A 11 17.930 4.699 -11.854 1.00 32.15 C HETATM 161 NZ DLY A 11 19.265 4.234 -12.296 1.00 32.32 N HETATM 0 HZ2 DLY A 11 19.920 4.892 -12.718 1.00 32.32 H new HETATM 0 HZ1 DLY A 11 19.529 3.256 -12.179 1.00 32.32 H new HETATM 0 HG3 DLY A 11 15.231 4.591 -11.502 1.00 43.54 H new HETATM 0 HG2 DLY A 11 15.929 4.758 -9.903 1.00 43.54 H new HETATM 0 HE3 DLY A 11 17.395 5.127 -12.701 1.00 32.15 H new HETATM 0 HE2 DLY A 11 18.047 5.493 -11.117 1.00 32.15 H new HETATM 0 HD3 DLY A 11 17.676 3.100 -10.449 1.00 40.33 H new HETATM 0 HD2 DLY A 11 16.945 2.802 -12.013 1.00 40.33 H new HETATM 0 HB3 DLY A 11 13.996 3.270 -9.785 1.00 3.13 H new HETATM 0 HB2 DLY A 11 15.452 2.361 -9.433 1.00 3.13 H new HETATM 0 HA DLY A 11 15.511 1.602 -11.776 1.00 23.32 H new HETATM 175 N DGL A 12 12.418 2.717 -12.032 1.00 43.45 N HETATM 176 CA DGL A 12 11.468 3.146 -13.019 1.00 15.41 C HETATM 177 C DGL A 12 10.238 2.251 -12.983 1.00 54.32 C HETATM 178 O DGL A 12 10.162 1.298 -12.168 1.00 54.03 O HETATM 179 CB DGL A 12 11.096 4.612 -12.847 1.00 65.34 C HETATM 180 CG DGL A 12 10.325 4.935 -11.595 1.00 3.14 C HETATM 181 CD DGL A 12 10.089 6.406 -11.469 1.00 22.15 C HETATM 182 OE1 DGL A 12 8.989 6.888 -11.831 1.00 55.42 O HETATM 183 OE2 DGL A 12 11.013 7.126 -11.031 1.00 1.54 O HETATM 0 HG3 DGL A 12 9.369 4.411 -11.608 1.00 3.14 H new HETATM 0 HG2 DGL A 12 10.874 4.576 -10.724 1.00 3.14 H new HETATM 0 HE2 DGL A 12 10.726 8.063 -11.031 1.00 1.54 H new HETATM 0 HB3 DGL A 12 12.010 5.206 -12.855 1.00 65.34 H new HETATM 0 HB2 DGL A 12 10.506 4.924 -13.709 1.00 65.34 H new HETATM 0 HA DGL A 12 11.934 3.055 -14.000 1.00 15.41 H new HETATM 0 H DGL A 12 12.209 1.915 -11.437 1.00 43.45 H new HETATM 190 N DSG A 13 9.282 2.544 -13.843 1.00 14.32 N HETATM 191 CA DSG A 13 8.061 1.750 -13.954 1.00 3.43 C HETATM 192 C DSG A 13 7.300 1.766 -12.660 1.00 70.15 C HETATM 193 O DSG A 13 6.801 0.746 -12.234 1.00 3.14 O HETATM 194 CB DSG A 13 7.161 2.242 -15.093 1.00 73.51 C HETATM 195 CG DSG A 13 7.804 2.132 -16.460 1.00 44.44 C HETATM 196 OD1 DSG A 13 8.647 1.255 -16.710 1.00 71.34 O HETATM 197 ND2 DSG A 13 7.414 2.999 -17.356 1.00 61.31 N HETATM 0 HD22 DSG A 13 7.811 2.975 -18.295 1.00 61.31 H new HETATM 0 HD21 DSG A 13 6.713 3.700 -17.116 1.00 61.31 H new HETATM 0 HB3 DSG A 13 6.235 1.667 -15.088 1.00 73.51 H new HETATM 0 HB2 DSG A 13 6.891 3.282 -14.909 1.00 73.51 H new HETATM 0 HA DSG A 13 8.363 0.728 -14.182 1.00 3.43 H new HETATM 204 N DLY A 14 7.278 2.925 -12.020 1.00 2.21 N HETATM 205 CA DLY A 14 6.602 3.130 -10.743 1.00 42.22 C HETATM 206 C DLY A 14 7.200 2.194 -9.674 1.00 20.21 C HETATM 207 O DLY A 14 6.490 1.714 -8.792 1.00 12.33 O HETATM 208 CB DLY A 14 6.732 4.629 -10.352 1.00 24.05 C HETATM 209 CG DLY A 14 5.843 5.127 -9.203 1.00 45.43 C HETATM 210 CD DLY A 14 6.325 4.707 -7.822 1.00 44.30 C HETATM 211 CE DLY A 14 5.372 5.208 -6.763 1.00 13.20 C HETATM 212 NZ DLY A 14 5.828 4.918 -5.389 1.00 35.12 N HETATM 0 HZ2 DLY A 14 5.263 5.211 -4.592 1.00 35.12 H new HETATM 0 HZ1 DLY A 14 6.708 4.425 -5.237 1.00 35.12 H new HETATM 0 HG3 DLY A 14 5.790 6.215 -9.243 1.00 45.43 H new HETATM 0 HG2 DLY A 14 4.830 4.753 -9.352 1.00 45.43 H new HETATM 0 HE3 DLY A 14 5.245 6.284 -6.877 1.00 13.20 H new HETATM 0 HE2 DLY A 14 4.394 4.753 -6.918 1.00 13.20 H new HETATM 0 HD3 DLY A 14 6.400 3.621 -7.770 1.00 44.30 H new HETATM 0 HD2 DLY A 14 7.324 5.105 -7.641 1.00 44.30 H new HETATM 0 HB3 DLY A 14 7.771 4.821 -10.085 1.00 24.05 H new HETATM 0 HB2 DLY A 14 6.514 5.230 -11.235 1.00 24.05 H new HETATM 0 HA DLY A 14 5.543 2.885 -10.822 1.00 42.22 H new HETATM 226 N DAS A 15 8.496 1.918 -9.786 1.00 64.22 N HETATM 227 CA DAS A 15 9.168 1.017 -8.853 1.00 63.34 C HETATM 228 C DAS A 15 8.766 -0.405 -9.117 1.00 44.20 C HETATM 229 O DAS A 15 8.655 -1.187 -8.217 1.00 60.24 O HETATM 230 CB DAS A 15 10.706 1.097 -8.930 1.00 35.43 C HETATM 231 CG DAS A 15 11.292 2.396 -8.465 1.00 42.24 C HETATM 232 OD1 DAS A 15 11.697 3.201 -9.308 1.00 32.13 O HETATM 233 OD2 DAS A 15 11.391 2.618 -7.228 1.00 61.33 O HETATM 0 HD2 DAS A 15 11.821 3.487 -7.085 1.00 61.33 H new HETATM 0 HB3 DAS A 15 11.128 0.289 -8.332 1.00 35.43 H new HETATM 0 HB2 DAS A 15 11.014 0.924 -9.961 1.00 35.43 H new HETATM 0 HA DAS A 15 8.858 1.338 -7.858 1.00 63.34 H new HETATM 238 N DCY A 16 8.559 -0.729 -10.353 1.00 23.33 N HETATM 239 CA DCY A 16 8.212 -2.088 -10.740 1.00 42.44 C HETATM 240 C DCY A 16 6.752 -2.428 -10.386 1.00 13.31 C HETATM 241 O DCY A 16 5.851 -1.654 -10.680 1.00 32.43 O HETATM 242 CB DCY A 16 8.453 -2.261 -12.240 1.00 52.32 C HETATM 243 SG DCY A 16 7.877 -3.850 -12.930 1.00 13.43 S HETATM 0 HB3 DCY A 16 7.955 -1.449 -12.770 1.00 52.32 H new HETATM 0 HB2 DCY A 16 9.521 -2.162 -12.436 1.00 52.32 H new HETATM 0 HA DCY A 16 8.846 -2.778 -10.183 1.00 42.44 H new HETATM 248 N DCY A 17 6.527 -3.602 -9.763 1.00 33.23 N HETATM 249 CA DCY A 17 5.157 -4.057 -9.428 1.00 72.22 C HETATM 250 C DCY A 17 4.284 -4.175 -10.685 1.00 23.22 C HETATM 251 O DCY A 17 3.088 -3.871 -10.651 1.00 13.02 O HETATM 252 CB DCY A 17 5.153 -5.413 -8.688 1.00 14.55 C HETATM 253 SG DCY A 17 5.970 -5.460 -7.045 1.00 44.53 S HETATM 0 HB3 DCY A 17 4.117 -5.728 -8.562 1.00 14.55 H new HETATM 0 HB2 DCY A 17 5.635 -6.151 -9.329 1.00 14.55 H new HETATM 0 HA DCY A 17 4.743 -3.298 -8.765 1.00 72.22 H new HETATM 258 N DSN A 18 4.883 -4.593 -11.790 1.00 72.22 N HETATM 259 CA DSN A 18 4.155 -4.749 -13.040 1.00 31.40 C HETATM 260 C DSN A 18 4.186 -3.438 -13.839 1.00 61.23 C HETATM 261 O DSN A 18 3.508 -3.300 -14.851 1.00 2.21 O HETATM 262 CB DSN A 18 4.821 -5.847 -13.879 1.00 23.40 C HETATM 263 OG DSN A 18 5.038 -7.039 -13.126 1.00 51.13 O HETATM 0 HG DSN A 18 5.866 -7.470 -13.426 1.00 51.13 H new HETATM 0 HB3 DSN A 18 4.195 -6.073 -14.742 1.00 23.40 H new HETATM 0 HB2 DSN A 18 5.774 -5.482 -14.262 1.00 23.40 H new HETATM 0 HA DSN A 18 3.122 -5.014 -12.815 1.00 31.40 H new HETATM 269 N DLY A 19 4.990 -2.484 -13.361 1.00 65.14 N HETATM 270 CA DLY A 19 5.263 -1.214 -14.044 1.00 12.02 C HETATM 271 C DLY A 19 5.961 -1.408 -15.387 1.00 42.51 C HETATM 272 O DLY A 19 6.000 -0.512 -16.225 1.00 51.21 O HETATM 273 CB DLY A 19 4.038 -0.306 -14.144 1.00 43.31 C HETATM 274 CG DLY A 19 3.644 0.306 -12.812 1.00 11.22 C HETATM 275 CD DLY A 19 2.452 1.227 -12.947 1.00 20.03 C HETATM 276 CE DLY A 19 2.133 1.890 -11.626 1.00 51.41 C HETATM 277 NZ DLY A 19 0.926 2.725 -11.710 1.00 11.41 N HETATM 0 HZ2 DLY A 19 0.597 3.231 -10.887 1.00 11.41 H new HETATM 0 HZ1 DLY A 19 0.417 2.799 -12.591 1.00 11.41 H new HETATM 0 HG3 DLY A 19 3.411 -0.488 -12.102 1.00 11.22 H new HETATM 0 HG2 DLY A 19 4.488 0.862 -12.404 1.00 11.22 H new HETATM 0 HE3 DLY A 19 1.994 1.126 -10.861 1.00 51.41 H new HETATM 0 HE2 DLY A 19 2.978 2.504 -11.314 1.00 51.41 H new HETATM 0 HD3 DLY A 19 2.658 1.987 -13.700 1.00 20.03 H new HETATM 0 HD2 DLY A 19 1.587 0.661 -13.293 1.00 20.03 H new HETATM 0 HB3 DLY A 19 4.241 0.492 -14.858 1.00 43.31 H new HETATM 0 HB2 DLY A 19 3.198 -0.879 -14.537 1.00 43.31 H new HETATM 0 HA DLY A 19 5.969 -0.684 -13.405 1.00 12.02 H new HETATM 291 N DLY A 20 6.553 -2.558 -15.561 1.00 30.02 N HETATM 292 CA DLY A 20 7.318 -2.854 -16.736 1.00 43.25 C HETATM 293 C DLY A 20 8.762 -2.940 -16.319 1.00 53.35 C HETATM 294 O DLY A 20 9.252 -4.002 -15.955 1.00 73.50 O HETATM 295 CB DLY A 20 6.872 -4.178 -17.378 1.00 55.12 C HETATM 296 CG DLY A 20 5.377 -4.296 -17.735 1.00 75.05 C HETATM 297 CD DLY A 20 4.954 -3.574 -19.030 1.00 43.14 C HETATM 298 CE DLY A 20 5.049 -2.062 -18.946 1.00 21.42 C HETATM 299 NZ DLY A 20 4.449 -1.406 -20.121 1.00 2.55 N HETATM 0 HZ2 DLY A 20 4.446 -0.388 -20.191 1.00 2.55 H new HETATM 0 HZ1 DLY A 20 4.037 -1.969 -20.865 1.00 2.55 H new HETATM 0 HG3 DLY A 20 5.124 -5.352 -17.827 1.00 75.05 H new HETATM 0 HG2 DLY A 20 4.789 -3.898 -16.907 1.00 75.05 H new HETATM 0 HE3 DLY A 20 4.547 -1.717 -18.042 1.00 21.42 H new HETATM 0 HE2 DLY A 20 6.095 -1.768 -18.862 1.00 21.42 H new HETATM 0 HD3 DLY A 20 5.580 -3.923 -19.851 1.00 43.14 H new HETATM 0 HD2 DLY A 20 3.928 -3.852 -19.271 1.00 43.14 H new HETATM 0 HB3 DLY A 20 7.454 -4.330 -18.287 1.00 55.12 H new HETATM 0 HB2 DLY A 20 7.126 -4.991 -16.697 1.00 55.12 H new HETATM 0 HA DLY A 20 7.170 -2.073 -17.482 1.00 43.25 H new HETATM 313 N DCY A 21 9.402 -1.817 -16.283 1.00 4.32 N HETATM 314 CA DCY A 21 10.759 -1.745 -15.834 1.00 32.20 C HETATM 315 C DCY A 21 11.648 -1.524 -17.034 1.00 71.11 C HETATM 316 O DCY A 21 11.779 -0.401 -17.531 1.00 73.33 O HETATM 317 CB DCY A 21 10.891 -0.608 -14.816 1.00 52.54 C HETATM 318 SG DCY A 21 12.505 -0.458 -13.987 1.00 23.32 S HETATM 0 HB3 DCY A 21 10.677 0.333 -15.323 1.00 52.54 H new HETATM 0 HB2 DCY A 21 10.124 -0.740 -14.053 1.00 52.54 H new HETATM 0 HA DCY A 21 11.061 -2.671 -15.344 1.00 32.20 H new HETATM 323 N DLY A 22 12.209 -2.590 -17.538 1.00 61.21 N HETATM 324 CA DLY A 22 13.005 -2.517 -18.736 1.00 55.04 C HETATM 325 C DLY A 22 14.341 -3.184 -18.508 1.00 11.50 C HETATM 326 O DLY A 22 14.445 -4.148 -17.742 1.00 72.41 O HETATM 327 CB DLY A 22 12.288 -3.189 -19.940 1.00 75.31 C HETATM 328 CG DLY A 22 10.883 -2.662 -20.235 1.00 4.43 C HETATM 329 CD DLY A 22 10.316 -3.089 -21.616 1.00 3.24 C HETATM 330 CE DLY A 22 10.247 -4.610 -21.854 1.00 3.22 C HETATM 331 NZ DLY A 22 11.545 -5.203 -22.272 1.00 34.12 N HETATM 0 HZ2 DLY A 22 11.613 -6.204 -22.456 1.00 34.12 H new HETATM 0 HZ1 DLY A 22 12.368 -4.609 -22.374 1.00 34.12 H new HETATM 0 HG3 DLY A 22 10.206 -3.010 -19.454 1.00 4.43 H new HETATM 0 HG2 DLY A 22 10.898 -1.573 -20.182 1.00 4.43 H new HETATM 0 HE3 DLY A 22 9.911 -5.098 -20.939 1.00 3.22 H new HETATM 0 HE2 DLY A 22 9.499 -4.817 -22.619 1.00 3.22 H new HETATM 0 HD3 DLY A 22 9.314 -2.675 -21.723 1.00 3.24 H new HETATM 0 HD2 DLY A 22 10.931 -2.642 -22.397 1.00 3.24 H new HETATM 0 HB3 DLY A 22 12.903 -3.056 -20.830 1.00 75.31 H new HETATM 0 HB2 DLY A 22 12.225 -4.261 -19.753 1.00 75.31 H new HETATM 0 HA DLY A 22 13.153 -1.463 -18.973 1.00 55.04 H new HETATM 345 N DAR A 23 15.356 -2.680 -19.142 1.00 63.24 N HETATM 346 CA DAR A 23 16.656 -3.285 -19.054 1.00 43.30 C HETATM 347 CB DAR A 23 17.790 -2.242 -19.039 1.00 51.41 C HETATM 348 CG DAR A 23 17.760 -1.214 -20.153 1.00 1.04 C HETATM 349 CD DAR A 23 18.993 -0.312 -20.116 1.00 43.10 C HETATM 350 NE DAR A 23 19.170 0.364 -18.816 1.00 35.04 N HETATM 351 CZ DAR A 23 19.128 1.695 -18.619 1.00 33.43 C HETATM 352 NH1 DAR A 23 18.846 2.520 -19.632 1.00 33.14 N HETATM 353 NH2 DAR A 23 19.382 2.194 -17.407 1.00 72.34 N HETATM 354 C DAR A 23 16.824 -4.314 -20.162 1.00 62.43 C HETATM 355 O DAR A 23 15.946 -4.432 -21.026 1.00 35.41 O HETATM 0 HH22 DAR A 23 19.351 3.202 -17.254 1.00 72.34 H new HETATM 0 HH21 DAR A 23 19.607 1.567 -16.634 1.00 72.34 H new HETATM 0 HH12 DAR A 23 18.816 3.528 -19.476 1.00 33.14 H new HETATM 0 HH11 DAR A 23 18.661 2.142 -20.561 1.00 33.14 H new HETATM 0 HG3 DAR A 23 17.708 -1.721 -21.116 1.00 1.04 H new HETATM 0 HG2 DAR A 23 16.860 -0.606 -20.064 1.00 1.04 H new HETATM 0 HE DAR A 23 19.338 -0.225 -18.001 1.00 35.04 H new HETATM 0 HD3 DAR A 23 19.880 -0.908 -20.334 1.00 43.10 H new HETATM 0 HD2 DAR A 23 18.912 0.439 -20.902 1.00 43.10 H new HETATM 0 HB3 DAR A 23 17.761 -1.716 -18.085 1.00 51.41 H new HETATM 0 HB2 DAR A 23 18.743 -2.769 -19.083 1.00 51.41 H new HETATM 0 HA DAR A 23 16.728 -3.802 -18.097 1.00 43.30 H new HETATM 0 H DAR A 23 15.268 -1.665 -19.186 1.00 63.24 H new HETATM 369 N DAR A 24 17.934 -5.049 -20.131 1.00 71.54 N HETATM 370 CA DAR A 24 18.230 -6.144 -21.080 1.00 3.52 C HETATM 371 CB DAR A 24 18.037 -5.798 -22.585 1.00 51.53 C HETATM 372 CG DAR A 24 19.096 -4.900 -23.204 1.00 52.11 C HETATM 373 CD DAR A 24 19.001 -3.468 -22.727 1.00 15.34 C HETATM 374 NE DAR A 24 17.762 -2.813 -23.169 1.00 73.54 N HETATM 375 CZ DAR A 24 17.718 -1.658 -23.855 1.00 65.11 C HETATM 376 NH1 DAR A 24 18.841 -1.094 -24.287 1.00 20.23 N HETATM 377 NH2 DAR A 24 16.549 -1.075 -24.119 1.00 73.14 N HETATM 378 C DAR A 24 17.471 -7.407 -20.711 1.00 53.41 C HETATM 379 O DAR A 24 16.791 -7.457 -19.675 1.00 63.11 O HETATM 0 HH22 DAR A 24 16.522 -0.199 -24.640 1.00 73.14 H new HETATM 0 HH21 DAR A 24 15.681 -1.505 -23.800 1.00 73.14 H new HETATM 0 HH12 DAR A 24 18.804 -0.217 -24.807 1.00 20.23 H new HETATM 0 HH11 DAR A 24 19.740 -1.538 -24.098 1.00 20.23 H new HETATM 0 HG3 DAR A 24 20.084 -5.293 -22.965 1.00 52.11 H new HETATM 0 HG2 DAR A 24 18.997 -4.924 -24.289 1.00 52.11 H new HETATM 0 HE DAR A 24 16.877 -3.265 -22.940 1.00 73.54 H new HETATM 0 HD3 DAR A 24 19.052 -3.446 -21.638 1.00 15.34 H new HETATM 0 HD2 DAR A 24 19.858 -2.906 -23.098 1.00 15.34 H new HETATM 0 HB3 DAR A 24 18.004 -6.730 -23.150 1.00 51.53 H new HETATM 0 HB2 DAR A 24 17.066 -5.317 -22.705 1.00 51.53 H new HETATM 0 HA DAR A 24 19.301 -6.315 -20.973 1.00 3.52 H new ATOM 393 N GLY A 25 17.622 -8.432 -21.525 1.00 23.20 N ATOM 394 CA GLY A 25 16.975 -9.694 -21.271 1.00 71.10 C ATOM 395 C GLY A 25 17.885 -10.622 -20.508 1.00 61.15 C ATOM 396 O GLY A 25 17.506 -11.746 -20.167 1.00 34.41 O ATOM 0 H GLY A 25 18.191 -8.411 -22.371 1.00 23.20 H new ATOM 0 HA2 GLY A 25 16.059 -9.530 -20.704 1.00 71.10 H new ATOM 0 HA3 GLY A 25 16.687 -10.156 -22.215 1.00 71.10 H new HETATM 400 N DTH A 26 19.087 -10.144 -20.258 1.00 64.23 N HETATM 401 CA DTH A 26 20.099 -10.850 -19.508 1.00 20.14 C HETATM 402 CB DTH A 26 19.576 -11.227 -18.086 1.00 43.14 C HETATM 403 CG2 DTH A 26 20.682 -11.823 -17.215 1.00 62.25 C HETATM 404 OG1 DTH A 26 19.017 -10.062 -17.443 1.00 70.11 O HETATM 405 C DTH A 26 21.346 -9.966 -19.411 1.00 54.21 C HETATM 406 O DTH A 26 22.434 -10.336 -19.877 1.00 23.11 O HETATM 0 HG23 DTH A 26 21.071 -12.725 -17.687 1.00 62.25 H new HETATM 0 HG22 DTH A 26 21.487 -11.097 -17.102 1.00 62.25 H new HETATM 0 HG21 DTH A 26 20.278 -12.072 -16.234 1.00 62.25 H new HETATM 0 HG1 DTH A 26 18.204 -10.315 -16.957 1.00 70.11 H new HETATM 0 HB DTH A 26 18.803 -11.986 -18.206 1.00 43.14 H new HETATM 0 HA DTH A 26 20.349 -11.779 -20.020 1.00 20.14 H new HETATM 414 N DSG A 27 21.161 -8.789 -18.865 1.00 51.34 N HETATM 415 CA DSG A 27 22.219 -7.829 -18.671 1.00 5.34 C HETATM 416 C DSG A 27 21.580 -6.432 -18.724 1.00 3.11 C HETATM 417 O DSG A 27 20.370 -6.329 -18.917 1.00 31.22 O HETATM 418 CB DSG A 27 22.915 -8.112 -17.310 1.00 34.11 C HETATM 419 CG DSG A 27 24.176 -7.296 -17.062 1.00 10.55 C HETATM 420 OD1 DSG A 27 24.126 -6.218 -16.487 1.00 30.04 O HETATM 421 ND2 DSG A 27 25.305 -7.794 -17.498 1.00 63.11 N HETATM 0 HD22 DSG A 27 26.176 -7.284 -17.355 1.00 63.11 H new HETATM 0 HD21 DSG A 27 25.313 -8.693 -17.981 1.00 63.11 H new HETATM 0 HB3 DSG A 27 22.206 -7.914 -16.506 1.00 34.11 H new HETATM 0 HB2 DSG A 27 23.167 -9.171 -17.259 1.00 34.11 H new HETATM 0 HA DSG A 27 22.986 -7.896 -19.443 1.00 5.34 H new HETATM 0 H DSG A 27 20.202 -8.470 -19.002 1.00 51.34 H new HETATM 428 N DIL A 28 22.354 -5.383 -18.522 1.00 54.51 N HETATM 429 CA DIL A 28 21.883 -3.996 -18.642 1.00 14.14 C HETATM 430 C DIL A 28 20.968 -3.573 -17.452 1.00 63.53 C HETATM 431 O DIL A 28 20.451 -2.452 -17.400 1.00 41.03 O HETATM 432 CB DIL A 28 23.112 -3.011 -18.880 1.00 62.33 C HETATM 433 CG1 DIL A 28 24.215 -3.093 -17.776 1.00 1.51 C HETATM 434 CG2 DIL A 28 22.685 -1.569 -19.130 1.00 45.22 C HETATM 435 CD1 DIL A 28 23.834 -2.582 -16.396 1.00 52.34 C HETATM 0 HG23 DIL A 28 22.052 -1.525 -20.016 1.00 45.22 H new HETATM 0 HG22 DIL A 28 22.129 -1.200 -18.268 1.00 45.22 H new HETATM 0 HG21 DIL A 28 23.568 -0.950 -19.285 1.00 45.22 H new HETATM 0 HG13 DIL A 28 24.525 -4.134 -17.681 1.00 1.51 H new HETATM 0 HG12 DIL A 28 25.084 -2.532 -18.120 1.00 1.51 H new HETATM 0 HD13 DIL A 28 23.557 -1.530 -16.461 1.00 52.34 H new HETATM 0 HD12 DIL A 28 22.990 -3.157 -16.016 1.00 52.34 H new HETATM 0 HD11 DIL A 28 24.682 -2.692 -15.720 1.00 52.34 H new HETATM 0 HB DIL A 28 23.571 -3.376 -19.799 1.00 62.33 H new HETATM 0 HA DIL A 28 21.243 -3.927 -19.522 1.00 14.14 H new HETATM 447 N DGL A 29 20.766 -4.492 -16.537 1.00 74.22 N HETATM 448 CA DGL A 29 19.951 -4.293 -15.351 1.00 53.20 C HETATM 449 C DGL A 29 18.521 -3.873 -15.694 1.00 53.44 C HETATM 450 O DGL A 29 17.866 -4.500 -16.534 1.00 21.12 O HETATM 451 CB DGL A 29 19.874 -5.597 -14.569 1.00 45.32 C HETATM 452 CG DGL A 29 21.206 -6.153 -14.127 1.00 44.13 C HETATM 453 CD DGL A 29 21.042 -7.461 -13.401 1.00 12.40 C HETATM 454 OE1 DGL A 29 21.348 -8.515 -13.982 1.00 21.24 O HETATM 455 OE2 DGL A 29 20.554 -7.466 -12.252 1.00 55.14 O HETATM 0 HG3 DGL A 29 21.849 -6.296 -14.996 1.00 44.13 H new HETATM 0 HG2 DGL A 29 21.704 -5.434 -13.476 1.00 44.13 H new HETATM 0 HE2 DGL A 29 20.470 -8.390 -11.936 1.00 55.14 H new HETATM 0 HB3 DGL A 29 19.252 -5.439 -13.688 1.00 45.32 H new HETATM 0 HB2 DGL A 29 19.371 -6.343 -15.184 1.00 45.32 H new HETATM 0 HA DGL A 29 20.420 -3.499 -14.769 1.00 53.20 H new HETATM 462 N DLY A 30 18.065 -2.799 -15.070 1.00 51.23 N HETATM 463 CA DLY A 30 16.675 -2.384 -15.155 1.00 13.22 C HETATM 464 C DLY A 30 15.863 -3.376 -14.365 1.00 23.33 C HETATM 465 O DLY A 30 15.953 -3.416 -13.133 1.00 22.34 O HETATM 466 CB DLY A 30 16.488 -0.979 -14.557 1.00 42.31 C HETATM 467 CG DLY A 30 16.997 0.172 -15.420 1.00 44.25 C HETATM 468 CD DLY A 30 16.051 0.506 -16.581 1.00 5.42 C HETATM 469 CE DLY A 30 14.700 1.010 -16.069 1.00 35.44 C HETATM 470 NZ DLY A 30 13.826 1.520 -17.142 1.00 13.11 N HETATM 0 HZ2 DLY A 30 12.900 1.882 -16.916 1.00 13.11 H new HETATM 0 HZ1 DLY A 30 14.148 1.511 -18.110 1.00 13.11 H new HETATM 0 HG3 DLY A 30 17.128 1.057 -14.797 1.00 44.25 H new HETATM 0 HG2 DLY A 30 17.978 -0.085 -15.819 1.00 44.25 H new HETATM 0 HE3 DLY A 30 14.190 0.199 -15.549 1.00 35.44 H new HETATM 0 HE2 DLY A 30 14.868 1.802 -15.339 1.00 35.44 H new HETATM 0 HD3 DLY A 30 16.507 1.264 -17.218 1.00 5.42 H new HETATM 0 HD2 DLY A 30 15.901 -0.380 -17.198 1.00 5.42 H new HETATM 0 HB3 DLY A 30 15.427 -0.823 -14.363 1.00 42.31 H new HETATM 0 HB2 DLY A 30 16.997 -0.942 -13.594 1.00 42.31 H new HETATM 0 HA DLY A 30 16.358 -2.351 -16.197 1.00 13.22 H new HETATM 484 N DAR A 31 15.137 -4.209 -15.047 1.00 60.35 N HETATM 485 CA DAR A 31 14.388 -5.229 -14.387 1.00 71.32 C HETATM 486 CB DAR A 31 14.787 -6.628 -14.826 1.00 71.14 C HETATM 487 CG DAR A 31 16.196 -7.013 -14.466 1.00 14.42 C HETATM 488 CD DAR A 31 16.452 -8.454 -14.815 1.00 63.24 C HETATM 489 NE DAR A 31 17.815 -8.862 -14.468 1.00 12.54 N HETATM 490 CZ DAR A 31 18.190 -10.108 -14.186 1.00 11.34 C HETATM 491 NH1 DAR A 31 17.296 -11.083 -14.142 1.00 34.41 N HETATM 492 NH2 DAR A 31 19.457 -10.371 -13.933 1.00 70.23 N HETATM 493 C DAR A 31 12.913 -5.057 -14.534 1.00 14.10 C HETATM 494 O DAR A 31 12.399 -4.670 -15.594 1.00 51.22 O HETATM 0 HH22 DAR A 31 19.747 -11.325 -13.717 1.00 70.23 H new HETATM 0 HH21 DAR A 31 20.148 -9.621 -13.954 1.00 70.23 H new HETATM 0 HH12 DAR A 31 17.590 -12.035 -13.925 1.00 34.41 H new HETATM 0 HH11 DAR A 31 16.313 -10.882 -14.325 1.00 34.41 H new HETATM 0 HG3 DAR A 31 16.901 -6.373 -14.996 1.00 14.42 H new HETATM 0 HG2 DAR A 31 16.362 -6.855 -13.400 1.00 14.42 H new HETATM 0 HE DAR A 31 18.531 -8.137 -14.440 1.00 12.54 H new HETATM 0 HD3 DAR A 31 15.738 -9.088 -14.290 1.00 63.24 H new HETATM 0 HD2 DAR A 31 16.288 -8.605 -15.882 1.00 63.24 H new HETATM 0 HB3 DAR A 31 14.101 -7.346 -14.377 1.00 71.14 H new HETATM 0 HB2 DAR A 31 14.667 -6.705 -15.907 1.00 71.14 H new HETATM 0 HA DAR A 31 14.638 -5.116 -13.332 1.00 71.32 H new HETATM 508 N DCY A 32 12.255 -5.337 -13.466 1.00 33.13 N HETATM 509 CA DCY A 32 10.849 -5.335 -13.383 1.00 41.25 C HETATM 510 C DCY A 32 10.408 -6.673 -13.846 1.00 74.43 C HETATM 511 O DCY A 32 10.924 -7.679 -13.351 1.00 11.55 O HETATM 512 CB DCY A 32 10.417 -5.139 -11.926 1.00 63.43 C HETATM 513 SG DCY A 32 8.611 -5.230 -11.660 1.00 14.22 S HETATM 0 HB3 DCY A 32 10.902 -5.896 -11.310 1.00 63.43 H new HETATM 0 HB2 DCY A 32 10.775 -4.169 -11.580 1.00 63.43 H new HETATM 0 HA DCY A 32 10.416 -4.534 -13.982 1.00 41.25 H new HETATM 518 N DAR A 33 9.527 -6.702 -14.810 1.00 53.24 N HETATM 519 CA DAR A 33 9.013 -7.931 -15.341 1.00 21.43 C HETATM 520 CB DAR A 33 9.725 -8.330 -16.654 1.00 61.43 C HETATM 521 CG DAR A 33 9.855 -7.213 -17.691 1.00 24.13 C HETATM 522 CD DAR A 33 10.507 -7.719 -18.969 1.00 32.45 C HETATM 523 NE DAR A 33 11.814 -8.348 -18.718 1.00 70.45 N HETATM 524 CZ DAR A 33 12.495 -9.100 -19.599 1.00 45.02 C HETATM 525 NH1 DAR A 33 12.079 -9.199 -20.854 1.00 72.45 N HETATM 526 NH2 DAR A 33 13.610 -9.714 -19.224 1.00 21.52 N HETATM 527 C DAR A 33 7.503 -7.862 -15.494 1.00 33.12 C HETATM 528 O DAR A 33 6.794 -8.379 -14.612 1.00 20.40 O HETATM 529 OXT DAR A 33 7.010 -7.264 -16.459 1.00 0.00 O HETATM 0 HH22 DAR A 33 14.127 -10.285 -19.892 1.00 21.52 H new HETATM 0 HH21 DAR A 33 13.950 -9.615 -18.267 1.00 21.52 H new HETATM 0 HH12 DAR A 33 12.599 -9.771 -21.520 1.00 72.45 H new HETATM 0 HH11 DAR A 33 11.239 -8.703 -21.154 1.00 72.45 H new HETATM 0 HG3 DAR A 33 8.869 -6.809 -17.919 1.00 24.13 H new HETATM 0 HG2 DAR A 33 10.447 -6.396 -17.277 1.00 24.13 H new HETATM 0 HE DAR A 33 12.237 -8.201 -17.801 1.00 70.45 H new HETATM 0 HD3 DAR A 33 9.846 -8.439 -19.451 1.00 32.45 H new HETATM 0 HD2 DAR A 33 10.633 -6.888 -19.663 1.00 32.45 H new HETATM 0 HB3 DAR A 33 10.723 -8.696 -16.411 1.00 61.43 H new HETATM 0 HB2 DAR A 33 9.182 -9.161 -17.105 1.00 61.43 H new HETATM 0 HA DAR A 33 9.229 -8.725 -14.626 1.00 21.43 H new TER 543 DAR A 33