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 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 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 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 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 21 DCY H2 : A 21 DCY N : A 20 DLY C :(H bumps) USER MOD NoAdj-H: A 21 DCY H : A 21 DCY N : A 20 DLY C :(H bumps) USER MOD NoAdj-H: A 22 DLY H2 : A 22 DLY N : A 21 DCY C :(H bumps) USER MOD NoAdj-H: A 22 DLY H : A 22 DLY N : A 21 DCY C :(H bumps) USER MOD NoAdj-H: A 23 DAR H2 : A 23 DAR N : A 22 DLY C :(H bumps) USER MOD NoAdj-H: A 23 DAR H : A 23 DAR N : A 22 DLY C :(H bumps) USER MOD NoAdj-H: A 24 DAR H2 : A 24 DAR N : A 23 DAR C :(H bumps) USER MOD NoAdj-H: A 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 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 HE2 : A 29 DGL OE2 : A 29 DGL CD :(short bond) USER MOD NoAdj-H: A 29 DGL H2 : A 29 DGL N : A 28 DIL C :(H bumps) USER MOD NoAdj-H: A 29 DGL H : A 29 DGL N : A 28 DIL C :(H bumps) USER MOD NoAdj-H: A 30 DLY H2 : A 30 DLY N : A 29 DGL C :(H bumps) USER MOD NoAdj-H: A 30 DLY H : A 30 DLY N : A 29 DGL C :(H bumps) USER MOD NoAdj-H: A 31 DAR H2 : A 31 DAR N : A 30 DLY C :(H bumps) USER MOD NoAdj-H: A 31 DAR H : A 31 DAR N : A 30 DLY C :(H bumps) USER MOD NoAdj-H: A 32 DCY H2 : A 32 DCY N : A 31 DAR C :(H bumps) USER MOD NoAdj-H: A 32 DCY H : A 32 DCY N : A 31 DAR C :(H bumps) USER MOD NoAdj-H: A 33 DAR H2 : A 33 DAR N : A 32 DCY C :(H bumps) USER MOD NoAdj-H: A 33 DAR H : A 33 DAR N : A 32 DCY C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -140:sc= 0.0113 (180deg=0) USER MOD Single : A 12 DGL OE2 : rot 167:sc= 0 USER MOD Single : A 15 DAS OD2 : rot 179:sc= 0 USER MOD Single : A 18 DSN OG : rot 140:sc= -0.798 USER MOD Single : A 26 DTH OG1 : rot 180:sc= 0 USER MOD Single : A 33 DAR OXT : rot -139:sc= 0.649 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.243 -1.791 -0.432 1.00 25.20 N ATOM 2 CA GLY A 1 1.879 -0.803 -1.298 1.00 2.21 C ATOM 3 C GLY A 1 3.287 -1.217 -1.609 1.00 11.43 C ATOM 4 O GLY A 1 3.527 -2.370 -1.976 1.00 41.21 O ATOM 0 H1 GLY A 1 0.257 -1.932 -0.731 1.00 25.20 H new ATOM 0 H2 GLY A 1 1.757 -2.693 -0.498 1.00 25.20 H new ATOM 0 H3 GLY A 1 1.261 -1.454 0.552 1.00 25.20 H new ATOM 0 HA2 GLY A 1 1.310 -0.699 -2.222 1.00 2.21 H new ATOM 0 HA3 GLY A 1 1.878 0.172 -0.811 1.00 2.21 H new HETATM 10 N DAS A 2 4.220 -0.312 -1.450 1.00 5.14 N HETATM 11 CA DAS A 2 5.622 -0.616 -1.684 1.00 62.34 C HETATM 12 C DAS A 2 5.946 -0.576 -3.155 1.00 51.24 C HETATM 13 O DAS A 2 5.807 0.463 -3.801 1.00 55.23 O HETATM 14 CB DAS A 2 6.536 0.341 -0.922 1.00 74.12 C HETATM 15 CG DAS A 2 8.004 0.056 -1.169 1.00 23.01 C HETATM 16 OD1 DAS A 2 8.714 0.912 -1.731 1.00 3.32 O HETATM 17 OD2 DAS A 2 8.477 -1.026 -0.788 1.00 61.22 O HETATM 0 HB3 DAS A 2 6.313 1.366 -1.218 1.00 74.12 H new HETATM 0 HB2 DAS A 2 6.328 0.265 0.145 1.00 74.12 H new HETATM 0 HA DAS A 2 5.799 -1.626 -1.314 1.00 62.34 H new HETATM 22 N DCY A 3 6.340 -1.694 -3.689 1.00 2.03 N HETATM 23 CA DCY A 3 6.698 -1.775 -5.073 1.00 23.14 C HETATM 24 C DCY A 3 7.720 -2.881 -5.272 1.00 51.41 C HETATM 25 O DCY A 3 7.847 -3.787 -4.425 1.00 40.22 O HETATM 26 CB DCY A 3 5.446 -2.014 -5.947 1.00 72.22 C HETATM 27 SG DCY A 3 4.504 -3.530 -5.543 1.00 13.55 S HETATM 0 HB3 DCY A 3 4.783 -1.155 -5.849 1.00 72.22 H new HETATM 0 HB2 DCY A 3 5.754 -2.062 -6.992 1.00 72.22 H new HETATM 0 HA DCY A 3 7.142 -0.829 -5.382 1.00 23.14 H new HETATM 0 H DCY A 3 6.765 -2.330 -3.014 1.00 2.03 H new HETATM 32 N DLE A 4 8.452 -2.801 -6.344 1.00 21.34 N HETATM 33 CA DLE A 4 9.424 -3.788 -6.691 1.00 21.21 C HETATM 34 CB DLE A 4 10.617 -3.133 -7.398 1.00 62.12 C HETATM 35 CG DLE A 4 11.392 -2.103 -6.560 1.00 32.52 C HETATM 36 CD1 DLE A 4 12.005 -2.753 -5.330 1.00 14.12 C HETATM 37 CD2 DLE A 4 12.464 -1.427 -7.389 1.00 44.34 C HETATM 38 C DLE A 4 8.755 -4.828 -7.576 1.00 13.11 C HETATM 39 O DLE A 4 8.013 -4.463 -8.512 1.00 23.41 O HETATM 0 HD23 DLE A 4 13.165 -2.176 -7.758 1.00 44.34 H new HETATM 0 HD22 DLE A 4 12.002 -0.915 -8.233 1.00 44.34 H new HETATM 0 HD21 DLE A 4 12.998 -0.703 -6.773 1.00 44.34 H new HETATM 0 HD13 DLE A 4 11.215 -3.182 -4.713 1.00 14.12 H new HETATM 0 HD12 DLE A 4 12.692 -3.541 -5.639 1.00 14.12 H new HETATM 0 HD11 DLE A 4 12.548 -2.003 -4.754 1.00 14.12 H new HETATM 0 HG DLE A 4 10.684 -1.343 -6.229 1.00 32.52 H new HETATM 0 HB3 DLE A 4 11.308 -3.916 -7.711 1.00 62.12 H new HETATM 0 HB2 DLE A 4 10.258 -2.644 -8.304 1.00 62.12 H new HETATM 0 HA DLE A 4 9.808 -4.275 -5.794 1.00 21.21 H new HETATM 0 H DLE A 4 8.615 -1.821 -6.575 1.00 21.34 H new HETATM 51 N DPR A 5 8.937 -6.118 -7.271 1.00 35.43 N HETATM 52 CA DPR A 5 8.292 -7.202 -8.009 1.00 64.13 C HETATM 53 CB DPR A 5 8.665 -8.465 -7.218 1.00 42.14 C HETATM 54 CG DPR A 5 9.198 -7.976 -5.919 1.00 62.13 C HETATM 55 CD DPR A 5 9.796 -6.640 -6.196 1.00 1.34 C HETATM 56 C DPR A 5 8.800 -7.333 -9.437 1.00 60.43 C HETATM 57 O DPR A 5 9.876 -6.836 -9.780 1.00 24.12 O HETATM 0 HG3 DPR A 5 8.405 -7.902 -5.175 1.00 62.13 H new HETATM 0 HG2 DPR A 5 9.945 -8.663 -5.521 1.00 62.13 H new HETATM 0 HD3 DPR A 5 10.836 -6.720 -6.511 1.00 1.34 H new HETATM 0 HD2 DPR A 5 9.778 -5.998 -5.315 1.00 1.34 H new HETATM 0 HB3 DPR A 5 7.796 -9.106 -7.069 1.00 42.14 H new HETATM 0 HB2 DPR A 5 9.410 -9.056 -7.751 1.00 42.14 H new HETATM 0 HA DPR A 5 7.220 -7.027 -8.095 1.00 64.13 H new HETATM 65 N DHI A 6 8.023 -7.997 -10.268 1.00 1.02 N HETATM 66 CA DHI A 6 8.437 -8.238 -11.623 1.00 64.23 C HETATM 67 C DHI A 6 9.411 -9.420 -11.607 1.00 52.55 C HETATM 68 O DHI A 6 9.306 -10.286 -10.726 1.00 32.41 O HETATM 69 CB DHI A 6 7.233 -8.477 -12.575 1.00 62.12 C HETATM 70 CG DHI A 6 6.670 -9.872 -12.614 1.00 41.12 C HETATM 71 ND1 DHI A 6 6.711 -10.630 -13.748 1.00 3.24 N HETATM 72 CD2 DHI A 6 6.058 -10.633 -11.676 1.00 64.33 C HETATM 73 CE1 DHI A 6 6.158 -11.799 -13.522 1.00 61.53 C HETATM 74 NE2 DHI A 6 5.753 -11.832 -12.269 1.00 33.01 N HETATM 0 HE2 DHI A 6 5.289 -12.619 -11.815 1.00 33.01 H new HETATM 0 HE1 DHI A 6 6.052 -12.605 -14.248 1.00 61.53 H new HETATM 0 HD2 DHI A 6 5.848 -10.347 -10.645 1.00 64.33 H new HETATM 0 HD1 DHI A 6 7.111 -10.333 -14.638 1.00 3.24 H new HETATM 0 HB3 DHI A 6 6.432 -7.795 -12.289 1.00 62.12 H new HETATM 0 HB2 DHI A 6 7.539 -8.205 -13.585 1.00 62.12 H new HETATM 0 HA DHI A 6 8.935 -7.354 -12.020 1.00 64.23 H new HETATM 83 N DLE A 7 10.337 -9.440 -12.553 1.00 53.42 N HETATM 84 CA DLE A 7 11.420 -10.421 -12.630 1.00 20.44 C HETATM 85 CB DLE A 7 10.898 -11.862 -12.702 1.00 34.25 C HETATM 86 CG DLE A 7 10.047 -12.191 -13.927 1.00 5.44 C HETATM 87 CD1 DLE A 7 10.853 -12.024 -15.212 1.00 74.42 C HETATM 88 CD2 DLE A 7 9.494 -13.590 -13.819 1.00 65.31 C HETATM 89 C DLE A 7 12.363 -10.191 -11.465 1.00 63.22 C HETATM 90 O DLE A 7 12.906 -11.123 -10.864 1.00 14.15 O HETATM 0 HD23 DLE A 7 10.316 -14.302 -13.755 1.00 65.31 H new HETATM 0 HD22 DLE A 7 8.876 -13.669 -12.925 1.00 65.31 H new HETATM 0 HD21 DLE A 7 8.890 -13.811 -14.699 1.00 65.31 H new HETATM 0 HD13 DLE A 7 11.199 -10.994 -15.293 1.00 74.42 H new HETATM 0 HD12 DLE A 7 11.712 -12.695 -15.193 1.00 74.42 H new HETATM 0 HD11 DLE A 7 10.224 -12.264 -16.070 1.00 74.42 H new HETATM 0 HG DLE A 7 9.212 -11.491 -13.964 1.00 5.44 H new HETATM 0 HB3 DLE A 7 11.751 -12.541 -12.680 1.00 34.25 H new HETATM 0 HB2 DLE A 7 10.309 -12.062 -11.807 1.00 34.25 H new HETATM 0 HA DLE A 7 11.971 -10.280 -13.560 1.00 20.44 H new HETATM 102 N DLY A 8 12.586 -8.922 -11.202 1.00 53.24 N HETATM 103 CA DLY A 8 13.406 -8.457 -10.106 1.00 55.54 C HETATM 104 C DLY A 8 13.914 -7.087 -10.512 1.00 21.04 C HETATM 105 O DLY A 8 13.445 -6.555 -11.487 1.00 62.43 O HETATM 106 CB DLY A 8 12.536 -8.326 -8.827 1.00 42.10 C HETATM 107 CG DLY A 8 13.285 -8.168 -7.494 1.00 40.51 C HETATM 108 CD DLY A 8 13.716 -9.504 -6.869 1.00 43.51 C HETATM 109 CE DLY A 8 14.687 -10.310 -7.726 1.00 21.13 C HETATM 110 NZ DLY A 8 15.127 -11.547 -7.054 1.00 41.42 N HETATM 0 HZ2 DLY A 8 15.779 -12.177 -7.521 1.00 41.42 H new HETATM 0 HZ1 DLY A 8 14.779 -11.772 -6.122 1.00 41.42 H new HETATM 0 HG3 DLY A 8 14.168 -7.550 -7.654 1.00 40.51 H new HETATM 0 HG2 DLY A 8 12.647 -7.636 -6.789 1.00 40.51 H new HETATM 0 HE3 DLY A 8 14.210 -10.563 -8.673 1.00 21.13 H new HETATM 0 HE2 DLY A 8 15.557 -9.697 -7.961 1.00 21.13 H new HETATM 0 HD3 DLY A 8 14.179 -9.307 -5.902 1.00 43.51 H new HETATM 0 HD2 DLY A 8 12.828 -10.107 -6.680 1.00 43.51 H new HETATM 0 HB3 DLY A 8 11.877 -7.467 -8.951 1.00 42.10 H new HETATM 0 HB2 DLY A 8 11.900 -9.208 -8.757 1.00 42.10 H new HETATM 0 HA DLY A 8 14.225 -9.145 -9.897 1.00 55.54 H new HETATM 0 H DLY A 8 12.460 -8.338 -12.028 1.00 53.24 H new HETATM 124 N DLE A 9 14.880 -6.553 -9.809 1.00 43.11 N HETATM 125 CA DLE A 9 15.405 -5.203 -10.064 1.00 35.34 C HETATM 126 CB DLE A 9 16.543 -4.892 -9.066 1.00 5.10 C HETATM 127 CG DLE A 9 16.330 -5.280 -7.574 1.00 12.13 C HETATM 128 CD1 DLE A 9 17.567 -4.972 -6.777 1.00 25.32 C HETATM 129 CD2 DLE A 9 15.123 -4.596 -6.937 1.00 4.50 C HETATM 130 C DLE A 9 14.325 -4.087 -10.045 1.00 22.24 C HETATM 131 O DLE A 9 13.254 -4.245 -9.455 1.00 1.13 O HETATM 0 HD23 DLE A 9 15.254 -3.515 -6.979 1.00 4.50 H new HETATM 0 HD22 DLE A 9 14.219 -4.873 -7.480 1.00 4.50 H new HETATM 0 HD21 DLE A 9 15.033 -4.911 -5.897 1.00 4.50 H new HETATM 0 HD13 DLE A 9 18.408 -5.539 -7.177 1.00 25.32 H new HETATM 0 HD12 DLE A 9 17.785 -3.906 -6.841 1.00 25.32 H new HETATM 0 HD11 DLE A 9 17.406 -5.248 -5.735 1.00 25.32 H new HETATM 0 HG DLE A 9 16.129 -6.351 -7.561 1.00 12.13 H new HETATM 0 HB3 DLE A 9 17.443 -5.397 -9.417 1.00 5.10 H new HETATM 0 HB2 DLE A 9 16.741 -3.821 -9.108 1.00 5.10 H new HETATM 0 HA DLE A 9 15.792 -5.205 -11.083 1.00 35.34 H new HETATM 0 H DLE A 9 15.276 -7.121 -9.060 1.00 43.11 H new HETATM 143 N DCY A 10 14.614 -2.991 -10.714 1.00 64.35 N HETATM 144 CA DCY A 10 13.757 -1.818 -10.693 1.00 34.24 C HETATM 145 C DCY A 10 14.561 -0.633 -11.151 1.00 14.52 C HETATM 146 O DCY A 10 15.759 -0.771 -11.443 1.00 32.33 O HETATM 147 CB DCY A 10 12.550 -1.987 -11.626 1.00 3.52 C HETATM 148 SG DCY A 10 13.000 -2.143 -13.386 1.00 45.10 S HETATM 0 HB3 DCY A 10 11.989 -2.872 -11.324 1.00 3.52 H new HETATM 0 HB2 DCY A 10 11.885 -1.132 -11.504 1.00 3.52 H new HETATM 0 HA DCY A 10 13.387 -1.676 -9.678 1.00 34.24 H new HETATM 0 H DCY A 10 15.587 -2.907 -11.009 1.00 64.35 H new HETATM 153 N DLY A 11 13.936 0.514 -11.195 1.00 31.21 N HETATM 154 CA DLY A 11 14.545 1.691 -11.743 1.00 21.24 C HETATM 155 C DLY A 11 13.500 2.417 -12.568 1.00 63.21 C HETATM 156 O DLY A 11 13.741 2.784 -13.723 1.00 44.43 O HETATM 157 CB DLY A 11 15.125 2.593 -10.639 1.00 34.31 C HETATM 158 CG DLY A 11 15.874 3.825 -11.153 1.00 24.25 C HETATM 159 CD DLY A 11 16.986 3.432 -12.127 1.00 11.13 C HETATM 160 CE DLY A 11 17.796 4.634 -12.587 1.00 2.01 C HETATM 161 NZ DLY A 11 18.572 5.244 -11.486 1.00 10.02 N HETATM 0 HZ2 DLY A 11 19.158 6.059 -11.666 1.00 10.02 H new HETATM 0 HZ1 DLY A 11 18.522 4.849 -10.547 1.00 10.02 H new HETATM 0 HG3 DLY A 11 15.174 4.498 -11.649 1.00 24.25 H new HETATM 0 HG2 DLY A 11 16.301 4.371 -10.312 1.00 24.25 H new HETATM 0 HE3 DLY A 11 18.476 4.328 -13.382 1.00 2.01 H new HETATM 0 HE2 DLY A 11 17.125 5.380 -13.012 1.00 2.01 H new HETATM 0 HD3 DLY A 11 17.648 2.711 -11.648 1.00 11.13 H new HETATM 0 HD2 DLY A 11 16.549 2.937 -12.994 1.00 11.13 H new HETATM 0 HB3 DLY A 11 14.312 2.922 -9.992 1.00 34.31 H new HETATM 0 HB2 DLY A 11 15.803 2.002 -10.024 1.00 34.31 H new HETATM 0 HA DLY A 11 15.387 1.412 -12.377 1.00 21.24 H new HETATM 0 H DLY A 11 12.958 0.305 -11.396 1.00 31.21 H new HETATM 175 N DGL A 12 12.332 2.583 -11.988 1.00 42.54 N HETATM 176 CA DGL A 12 11.232 3.208 -12.663 1.00 53.31 C HETATM 177 C DGL A 12 10.025 2.253 -12.686 1.00 34.51 C HETATM 178 O DGL A 12 9.871 1.383 -11.794 1.00 3.14 O HETATM 179 CB DGL A 12 10.922 4.522 -11.946 1.00 30.32 C HETATM 180 CG DGL A 12 9.822 5.370 -12.541 1.00 53.01 C HETATM 181 CD DGL A 12 9.795 6.731 -11.903 1.00 50.44 C HETATM 182 OE1 DGL A 12 9.160 6.897 -10.854 1.00 54.24 O HETATM 183 OE2 DGL A 12 10.454 7.660 -12.427 1.00 15.23 O HETATM 0 HG3 DGL A 12 9.974 5.470 -13.616 1.00 53.01 H new HETATM 0 HG2 DGL A 12 8.860 4.878 -12.400 1.00 53.01 H new HETATM 0 HE2 DGL A 12 10.184 8.516 -12.033 1.00 15.23 H new HETATM 0 HB3 DGL A 12 10.656 4.293 -10.914 1.00 30.32 H new HETATM 0 HB2 DGL A 12 11.834 5.118 -11.916 1.00 30.32 H new HETATM 0 HA DGL A 12 11.479 3.429 -13.701 1.00 53.31 H new HETATM 190 N DSG A 13 9.181 2.387 -13.703 1.00 2.51 N HETATM 191 CA DSG A 13 8.000 1.532 -13.834 1.00 23.04 C HETATM 192 C DSG A 13 7.062 1.753 -12.684 1.00 41.34 C HETATM 193 O DSG A 13 6.418 0.828 -12.227 1.00 45.41 O HETATM 194 CB DSG A 13 7.251 1.736 -15.156 1.00 1.10 C HETATM 195 CG DSG A 13 8.037 1.312 -16.385 1.00 43.54 C HETATM 196 OD1 DSG A 13 9.251 1.432 -16.444 1.00 12.11 O HETATM 197 ND2 DSG A 13 7.364 0.761 -17.343 1.00 53.34 N HETATM 0 HD22 DSG A 13 7.841 0.457 -18.192 1.00 53.34 H new HETATM 0 HD21 DSG A 13 6.357 0.631 -17.249 1.00 53.34 H new HETATM 0 HB3 DSG A 13 6.318 1.174 -15.123 1.00 1.10 H new HETATM 0 HB2 DSG A 13 6.986 2.789 -15.253 1.00 1.10 H new HETATM 0 HA DSG A 13 8.365 0.505 -13.826 1.00 23.04 H new HETATM 204 N DLY A 14 7.040 2.981 -12.193 1.00 74.03 N HETATM 205 CA DLY A 14 6.233 3.365 -11.046 1.00 12.14 C HETATM 206 C DLY A 14 6.648 2.529 -9.826 1.00 20.35 C HETATM 207 O DLY A 14 5.818 2.186 -8.990 1.00 70.13 O HETATM 208 CB DLY A 14 6.394 4.893 -10.803 1.00 40.31 C HETATM 209 CG DLY A 14 5.439 5.531 -9.781 1.00 45.52 C HETATM 210 CD DLY A 14 5.825 5.268 -8.337 1.00 44.34 C HETATM 211 CE DLY A 14 4.773 5.804 -7.395 1.00 43.40 C HETATM 212 NZ DLY A 14 5.131 5.585 -5.983 1.00 34.51 N HETATM 0 HZ2 DLY A 14 4.504 5.901 -5.243 1.00 34.51 H new HETATM 0 HZ1 DLY A 14 6.006 5.118 -5.745 1.00 34.51 H new HETATM 0 HG3 DLY A 14 5.408 6.608 -9.949 1.00 45.52 H new HETATM 0 HG2 DLY A 14 4.431 5.152 -9.953 1.00 45.52 H new HETATM 0 HE3 DLY A 14 4.637 6.871 -7.573 1.00 43.40 H new HETATM 0 HE2 DLY A 14 3.819 5.322 -7.606 1.00 43.40 H new HETATM 0 HD3 DLY A 14 5.950 4.197 -8.178 1.00 44.34 H new HETATM 0 HD2 DLY A 14 6.785 5.736 -8.121 1.00 44.34 H new HETATM 0 HB3 DLY A 14 7.417 5.080 -10.477 1.00 40.31 H new HETATM 0 HB2 DLY A 14 6.265 5.405 -11.756 1.00 40.31 H new HETATM 0 HA DLY A 14 5.177 3.167 -11.230 1.00 12.14 H new HETATM 226 N DAS A 15 7.934 2.171 -9.764 1.00 22.40 N HETATM 227 CA DAS A 15 8.445 1.345 -8.670 1.00 34.54 C HETATM 228 C DAS A 15 7.918 -0.042 -8.829 1.00 53.03 C HETATM 229 O DAS A 15 7.598 -0.700 -7.865 1.00 52.13 O HETATM 230 CB DAS A 15 9.979 1.240 -8.653 1.00 23.35 C HETATM 231 CG DAS A 15 10.706 2.540 -8.552 1.00 75.30 C HETATM 232 OD1 DAS A 15 11.759 2.680 -9.214 1.00 25.23 O HETATM 233 OD2 DAS A 15 10.263 3.445 -7.806 1.00 65.25 O HETATM 0 HD2 DAS A 15 10.861 4.221 -7.842 1.00 65.25 H new HETATM 0 HB3 DAS A 15 10.274 0.611 -7.813 1.00 23.35 H new HETATM 0 HB2 DAS A 15 10.302 0.731 -9.561 1.00 23.35 H new HETATM 0 HA DAS A 15 8.121 1.821 -7.744 1.00 34.54 H new HETATM 238 N DCY A 16 7.850 -0.485 -10.062 1.00 50.40 N HETATM 239 CA DCY A 16 7.358 -1.820 -10.385 1.00 62.54 C HETATM 240 C DCY A 16 5.929 -2.060 -9.955 1.00 65.43 C HETATM 241 O DCY A 16 5.062 -1.228 -10.178 1.00 20.45 O HETATM 242 CB DCY A 16 7.417 -2.057 -11.867 1.00 34.41 C HETATM 243 SG DCY A 16 8.985 -2.596 -12.488 1.00 12.22 S HETATM 0 HB3 DCY A 16 6.666 -2.802 -12.129 1.00 34.41 H new HETATM 0 HB2 DCY A 16 7.141 -1.134 -12.377 1.00 34.41 H new HETATM 0 HA DCY A 16 8.007 -2.503 -9.837 1.00 62.54 H new HETATM 248 N DCY A 17 5.678 -3.230 -9.393 1.00 55.43 N HETATM 249 CA DCY A 17 4.317 -3.625 -9.054 1.00 13.44 C HETATM 250 C DCY A 17 3.515 -3.800 -10.351 1.00 24.54 C HETATM 251 O DCY A 17 2.339 -3.467 -10.425 1.00 41.42 O HETATM 252 CB DCY A 17 4.302 -4.945 -8.263 1.00 40.21 C HETATM 253 SG DCY A 17 5.320 -4.960 -6.740 1.00 10.22 S HETATM 0 HB3 DCY A 17 3.271 -5.175 -7.993 1.00 40.21 H new HETATM 0 HB2 DCY A 17 4.647 -5.745 -8.918 1.00 40.21 H new HETATM 0 HA DCY A 17 3.872 -2.850 -8.430 1.00 13.44 H new HETATM 258 N DSN A 18 4.190 -4.288 -11.381 1.00 21.23 N HETATM 259 CA DSN A 18 3.570 -4.542 -12.666 1.00 25.35 C HETATM 260 C DSN A 18 3.684 -3.318 -13.600 1.00 42.35 C HETATM 261 O DSN A 18 3.129 -3.317 -14.697 1.00 33.43 O HETATM 262 CB DSN A 18 4.278 -5.737 -13.296 1.00 71.41 C HETATM 263 OG DSN A 18 4.399 -6.791 -12.347 1.00 74.31 O HETATM 0 HG DSN A 18 4.229 -7.649 -12.788 1.00 74.31 H new HETATM 0 HB3 DSN A 18 3.720 -6.083 -14.166 1.00 71.41 H new HETATM 0 HB2 DSN A 18 5.266 -5.440 -13.649 1.00 71.41 H new HETATM 0 HA DSN A 18 2.509 -4.745 -12.522 1.00 25.35 H new HETATM 269 N DLY A 19 4.391 -2.277 -13.137 1.00 33.14 N HETATM 270 CA DLY A 19 4.670 -1.054 -13.933 1.00 51.10 C HETATM 271 C DLY A 19 5.335 -1.354 -15.293 1.00 71.13 C HETATM 272 O DLY A 19 5.132 -0.630 -16.272 1.00 64.00 O HETATM 273 CB DLY A 19 3.433 -0.135 -14.098 1.00 31.02 C HETATM 274 CG DLY A 19 3.020 0.655 -12.840 1.00 33.45 C HETATM 275 CD DLY A 19 2.497 -0.250 -11.727 1.00 63.43 C HETATM 276 CE DLY A 19 2.058 0.538 -10.502 1.00 53.12 C HETATM 277 NZ DLY A 19 0.963 1.480 -10.810 1.00 41.11 N HETATM 0 HZ2 DLY A 19 0.576 2.070 -10.074 1.00 41.11 H new HETATM 0 HZ1 DLY A 19 0.594 1.540 -11.759 1.00 41.11 H new HETATM 0 HG3 DLY A 19 3.877 1.220 -12.472 1.00 33.45 H new HETATM 0 HG2 DLY A 19 2.251 1.380 -13.106 1.00 33.45 H new HETATM 0 HE3 DLY A 19 1.733 -0.153 -9.724 1.00 53.12 H new HETATM 0 HE2 DLY A 19 2.909 1.090 -10.103 1.00 53.12 H new HETATM 0 HD3 DLY A 19 1.656 -0.834 -12.101 1.00 63.43 H new HETATM 0 HD2 DLY A 19 3.275 -0.958 -11.441 1.00 63.43 H new HETATM 0 HB3 DLY A 19 3.634 0.574 -14.901 1.00 31.02 H new HETATM 0 HB2 DLY A 19 2.588 -0.746 -14.416 1.00 31.02 H new HETATM 0 HA DLY A 19 5.397 -0.498 -13.341 1.00 51.10 H new HETATM 291 N DLY A 20 6.164 -2.390 -15.327 1.00 42.11 N HETATM 292 CA DLY A 20 6.915 -2.757 -16.525 1.00 2.24 C HETATM 293 C DLY A 20 8.386 -2.947 -16.164 1.00 64.45 C HETATM 294 O DLY A 20 8.809 -4.033 -15.763 1.00 74.20 O HETATM 295 CB DLY A 20 6.352 -4.026 -17.191 1.00 43.51 C HETATM 296 CG DLY A 20 4.915 -3.885 -17.697 1.00 25.12 C HETATM 297 CD DLY A 20 4.380 -5.187 -18.301 1.00 2.41 C HETATM 298 CE DLY A 20 5.146 -5.612 -19.551 1.00 23.12 C HETATM 299 NZ DLY A 20 5.014 -4.640 -20.662 1.00 4.25 N HETATM 0 HZ2 DLY A 20 5.482 -4.815 -21.551 1.00 4.25 H new HETATM 0 HZ1 DLY A 20 4.455 -3.796 -20.537 1.00 4.25 H new HETATM 0 HG3 DLY A 20 4.271 -3.578 -16.873 1.00 25.12 H new HETATM 0 HG2 DLY A 20 4.872 -3.095 -18.447 1.00 25.12 H new HETATM 0 HE3 DLY A 20 6.200 -5.732 -19.302 1.00 23.12 H new HETATM 0 HE2 DLY A 20 4.783 -6.586 -19.881 1.00 23.12 H new HETATM 0 HD3 DLY A 20 4.439 -5.980 -17.556 1.00 2.41 H new HETATM 0 HD2 DLY A 20 3.326 -5.062 -18.550 1.00 2.41 H new HETATM 0 HB3 DLY A 20 6.995 -4.299 -18.028 1.00 43.51 H new HETATM 0 HB2 DLY A 20 6.394 -4.847 -16.476 1.00 43.51 H new HETATM 0 HA DLY A 20 6.818 -1.948 -17.249 1.00 2.24 H new HETATM 0 H DLY A 20 6.644 -2.300 -14.432 1.00 42.11 H new HETATM 313 N DCY A 21 9.130 -1.881 -16.267 1.00 62.32 N HETATM 314 CA DCY A 21 10.522 -1.852 -15.877 1.00 64.41 C HETATM 315 C DCY A 21 11.382 -1.606 -17.101 1.00 22.24 C HETATM 316 O DCY A 21 11.353 -0.515 -17.691 1.00 32.31 O HETATM 317 CB DCY A 21 10.712 -0.747 -14.819 1.00 31.24 C HETATM 318 SG DCY A 21 12.414 -0.422 -14.257 1.00 33.44 S HETATM 0 HB3 DCY A 21 10.306 0.181 -15.222 1.00 31.24 H new HETATM 0 HB2 DCY A 21 10.111 -1.006 -13.947 1.00 31.24 H new HETATM 0 HA DCY A 21 10.824 -2.805 -15.443 1.00 64.41 H new HETATM 323 N DLY A 22 12.108 -2.622 -17.521 1.00 13.23 N HETATM 324 CA DLY A 22 12.943 -2.517 -18.698 1.00 51.40 C HETATM 325 C DLY A 22 14.365 -2.903 -18.351 1.00 15.05 C HETATM 326 O DLY A 22 14.692 -3.039 -17.193 1.00 20.30 O HETATM 327 CB DLY A 22 12.403 -3.400 -19.822 1.00 73.33 C HETATM 328 CG DLY A 22 10.976 -3.061 -20.257 1.00 5.31 C HETATM 329 CD DLY A 22 10.523 -3.921 -21.421 1.00 44.44 C HETATM 330 CE DLY A 22 11.366 -3.663 -22.660 1.00 54.14 C HETATM 331 NZ DLY A 22 10.979 -4.516 -23.790 1.00 22.54 N HETATM 0 HZ2 DLY A 22 11.471 -4.438 -24.680 1.00 22.54 H new HETATM 0 HZ1 DLY A 22 10.218 -5.187 -23.685 1.00 22.54 H new HETATM 0 HG3 DLY A 22 10.297 -3.201 -19.416 1.00 5.31 H new HETATM 0 HG2 DLY A 22 10.922 -2.010 -20.539 1.00 5.31 H new HETATM 0 HE3 DLY A 22 11.270 -2.616 -22.949 1.00 54.14 H new HETATM 0 HE2 DLY A 22 12.416 -3.833 -22.423 1.00 54.14 H new HETATM 0 HD3 DLY A 22 10.590 -4.974 -21.146 1.00 44.44 H new HETATM 0 HD2 DLY A 22 9.476 -3.715 -21.642 1.00 44.44 H new HETATM 0 HB3 DLY A 22 13.064 -3.315 -20.685 1.00 73.33 H new HETATM 0 HB2 DLY A 22 12.434 -4.440 -19.498 1.00 73.33 H new HETATM 0 HA DLY A 22 12.933 -1.485 -19.048 1.00 51.40 H new HETATM 345 N DAR A 23 15.210 -3.047 -19.335 1.00 50.45 N HETATM 346 CA DAR A 23 16.577 -3.446 -19.087 1.00 51.22 C HETATM 347 CB DAR A 23 17.533 -2.253 -19.151 1.00 52.13 C HETATM 348 CG DAR A 23 17.555 -1.500 -20.461 1.00 51.24 C HETATM 349 CD DAR A 23 18.404 -0.241 -20.347 1.00 4.12 C HETATM 350 NE DAR A 23 19.752 -0.507 -19.826 1.00 50.44 N HETATM 351 CZ DAR A 23 20.720 0.418 -19.694 1.00 50.01 C HETATM 352 NH1 DAR A 23 20.565 1.635 -20.221 1.00 24.33 N HETATM 353 NH2 DAR A 23 21.851 0.107 -19.065 1.00 71.14 N HETATM 354 C DAR A 23 16.982 -4.557 -20.034 1.00 1.25 C HETATM 355 O DAR A 23 16.221 -4.890 -20.941 1.00 30.02 O HETATM 0 HH22 DAR A 23 22.587 0.806 -18.963 1.00 71.14 H new HETATM 0 HH21 DAR A 23 21.982 -0.830 -18.685 1.00 71.14 H new HETATM 0 HH12 DAR A 23 21.302 2.333 -20.118 1.00 24.33 H new HETATM 0 HH11 DAR A 23 19.710 1.867 -20.726 1.00 24.33 H new HETATM 0 HG3 DAR A 23 17.952 -2.142 -21.248 1.00 51.24 H new HETATM 0 HG2 DAR A 23 16.538 -1.233 -20.750 1.00 51.24 H new HETATM 0 HE DAR A 23 19.970 -1.463 -19.544 1.00 50.44 H new HETATM 0 HD3 DAR A 23 18.485 0.227 -21.328 1.00 4.12 H new HETATM 0 HD2 DAR A 23 17.901 0.472 -19.694 1.00 4.12 H new HETATM 0 HB3 DAR A 23 17.268 -1.555 -18.357 1.00 52.13 H new HETATM 0 HB2 DAR A 23 18.542 -2.608 -18.940 1.00 52.13 H new HETATM 0 HA DAR A 23 16.642 -3.836 -18.071 1.00 51.22 H new HETATM 369 N DAR A 24 18.171 -5.121 -19.808 1.00 1.25 N HETATM 370 CA DAR A 24 18.704 -6.283 -20.552 1.00 40.23 C HETATM 371 CB DAR A 24 18.683 -6.162 -22.106 1.00 50.24 C HETATM 372 CG DAR A 24 19.745 -5.265 -22.733 1.00 65.20 C HETATM 373 CD DAR A 24 19.473 -3.806 -22.496 1.00 42.33 C HETATM 374 NE DAR A 24 20.506 -2.954 -23.078 1.00 2.13 N HETATM 375 CZ DAR A 24 20.328 -1.689 -23.464 1.00 42.01 C HETATM 376 NH1 DAR A 24 19.102 -1.176 -23.555 1.00 4.43 N HETATM 377 NH2 DAR A 24 21.362 -0.967 -23.834 1.00 4.15 N HETATM 378 C DAR A 24 18.020 -7.568 -20.107 1.00 1.25 C HETATM 379 O DAR A 24 17.174 -7.561 -19.194 1.00 61.53 O HETATM 0 HH22 DAR A 24 21.229 0.000 -24.130 1.00 4.15 H new HETATM 0 HH21 DAR A 24 22.297 -1.374 -23.826 1.00 4.15 H new HETATM 0 HH12 DAR A 24 18.975 -0.208 -23.851 1.00 4.43 H new HETATM 0 HH11 DAR A 24 18.290 -1.751 -23.329 1.00 4.43 H new HETATM 0 HG3 DAR A 24 20.722 -5.521 -22.323 1.00 65.20 H new HETATM 0 HG2 DAR A 24 19.790 -5.454 -23.806 1.00 65.20 H new HETATM 0 HE DAR A 24 21.435 -3.357 -23.199 1.00 2.13 H new HETATM 0 HD3 DAR A 24 18.505 -3.544 -22.922 1.00 42.33 H new HETATM 0 HD2 DAR A 24 19.410 -3.619 -21.424 1.00 42.33 H new HETATM 0 HB3 DAR A 24 18.789 -7.162 -22.527 1.00 50.24 H new HETATM 0 HB2 DAR A 24 17.703 -5.791 -22.406 1.00 50.24 H new HETATM 0 HA DAR A 24 19.762 -6.307 -20.293 1.00 40.23 H new ATOM 393 N GLY A 25 18.392 -8.654 -20.718 1.00 43.45 N ATOM 394 CA GLY A 25 17.841 -9.925 -20.373 1.00 55.32 C ATOM 395 C GLY A 25 18.895 -10.742 -19.706 1.00 51.44 C ATOM 396 O GLY A 25 19.742 -11.341 -20.377 1.00 62.25 O ATOM 0 H GLY A 25 19.084 -8.681 -21.467 1.00 43.45 H new ATOM 0 HA2 GLY A 25 16.986 -9.798 -19.709 1.00 55.32 H new ATOM 0 HA3 GLY A 25 17.478 -10.434 -21.266 1.00 55.32 H new HETATM 400 N DTH A 26 18.888 -10.753 -18.404 1.00 24.23 N HETATM 401 CA DTH A 26 19.918 -11.441 -17.674 1.00 33.12 C HETATM 402 CB DTH A 26 19.401 -11.953 -16.309 1.00 72.12 C HETATM 403 CG2 DTH A 26 19.094 -10.819 -15.349 1.00 23.13 C HETATM 404 OG1 DTH A 26 18.205 -12.706 -16.537 1.00 72.32 O HETATM 405 C DTH A 26 21.148 -10.532 -17.513 1.00 15.24 C HETATM 406 O DTH A 26 22.287 -11.011 -17.464 1.00 0.15 O HETATM 0 HG23 DTH A 26 19.999 -10.238 -15.171 1.00 23.13 H new HETATM 0 HG22 DTH A 26 18.328 -10.175 -15.780 1.00 23.13 H new HETATM 0 HG21 DTH A 26 18.734 -11.229 -14.405 1.00 23.13 H new HETATM 0 HG1 DTH A 26 17.862 -13.041 -15.683 1.00 72.32 H new HETATM 0 HB DTH A 26 20.181 -12.565 -15.856 1.00 72.12 H new HETATM 0 HA DTH A 26 20.217 -12.320 -18.245 1.00 33.12 H new HETATM 0 H DTH A 26 17.956 -10.656 -18.002 1.00 24.23 H new HETATM 414 N DSG A 27 20.919 -9.216 -17.501 1.00 33.02 N HETATM 415 CA DSG A 27 21.992 -8.248 -17.388 1.00 1.54 C HETATM 416 C DSG A 27 21.494 -6.887 -17.875 1.00 32.15 C HETATM 417 O DSG A 27 20.298 -6.598 -17.784 1.00 14.14 O HETATM 418 CB DSG A 27 22.566 -8.197 -15.954 1.00 50.34 C HETATM 419 CG DSG A 27 23.888 -7.441 -15.874 1.00 5.10 C HETATM 420 OD1 DSG A 27 24.948 -7.996 -16.169 1.00 64.12 O HETATM 421 ND2 DSG A 27 23.857 -6.231 -15.411 1.00 44.34 N HETATM 0 HD22 DSG A 27 24.719 -5.690 -15.340 1.00 44.34 H new HETATM 0 HD21 DSG A 27 22.971 -5.820 -15.117 1.00 44.34 H new HETATM 0 HB3 DSG A 27 21.840 -7.722 -15.294 1.00 50.34 H new HETATM 0 HB2 DSG A 27 22.711 -9.214 -15.589 1.00 50.34 H new HETATM 0 HA DSG A 27 22.823 -8.554 -18.024 1.00 1.54 H new HETATM 0 H DSG A 27 20.009 -8.929 -17.863 1.00 33.02 H new HETATM 428 N DIL A 28 22.412 -6.095 -18.398 1.00 52.34 N HETATM 429 CA DIL A 28 22.170 -4.809 -19.081 1.00 14.53 C HETATM 430 C DIL A 28 21.267 -3.780 -18.335 1.00 14.35 C HETATM 431 O DIL A 28 20.519 -3.038 -18.986 1.00 53.43 O HETATM 432 CB DIL A 28 23.532 -4.148 -19.495 1.00 32.20 C HETATM 433 CG1 DIL A 28 24.400 -3.846 -18.251 1.00 2.24 C HETATM 434 CG2 DIL A 28 23.322 -2.893 -20.347 1.00 73.22 C HETATM 435 CD1 DIL A 28 25.772 -3.278 -18.568 1.00 3.21 C HETATM 0 HG23 DIL A 28 22.781 -3.156 -21.256 1.00 73.22 H new HETATM 0 HG22 DIL A 28 22.746 -2.161 -19.781 1.00 73.22 H new HETATM 0 HG21 DIL A 28 24.290 -2.467 -20.612 1.00 73.22 H new HETATM 0 HG13 DIL A 28 23.867 -3.141 -17.613 1.00 2.24 H new HETATM 0 HG12 DIL A 28 24.524 -4.765 -17.677 1.00 2.24 H new HETATM 0 HD13 DIL A 28 26.328 -3.989 -19.179 1.00 3.21 H new HETATM 0 HD12 DIL A 28 25.661 -2.341 -19.113 1.00 3.21 H new HETATM 0 HD11 DIL A 28 26.314 -3.096 -17.640 1.00 3.21 H new HETATM 0 HB DIL A 28 24.069 -4.866 -20.114 1.00 32.20 H new HETATM 0 HA DIL A 28 21.584 -5.081 -19.959 1.00 14.53 H new HETATM 447 N DGL A 29 21.305 -3.731 -17.028 1.00 21.50 N HETATM 448 CA DGL A 29 20.546 -2.714 -16.305 1.00 53.34 C HETATM 449 C DGL A 29 19.072 -3.082 -15.992 1.00 4.22 C HETATM 450 O DGL A 29 18.591 -4.158 -16.379 1.00 41.44 O HETATM 451 CB DGL A 29 21.331 -2.073 -15.136 1.00 53.42 C HETATM 452 CG DGL A 29 22.297 -2.986 -14.406 1.00 60.44 C HETATM 453 CD DGL A 29 21.642 -4.183 -13.830 1.00 63.05 C HETATM 454 OE1 DGL A 29 21.146 -4.115 -12.697 1.00 24.12 O HETATM 455 OE2 DGL A 29 21.615 -5.220 -14.511 1.00 61.51 O HETATM 0 HG3 DGL A 29 23.079 -3.304 -15.096 1.00 60.44 H new HETATM 0 HG2 DGL A 29 22.784 -2.426 -13.608 1.00 60.44 H new HETATM 0 HB3 DGL A 29 21.889 -1.221 -15.523 1.00 53.42 H new HETATM 0 HB2 DGL A 29 20.614 -1.683 -14.414 1.00 53.42 H new HETATM 0 HA DGL A 29 20.426 -1.905 -17.025 1.00 53.34 H new HETATM 462 N DLY A 30 18.382 -2.170 -15.315 1.00 43.12 N HETATM 463 CA DLY A 30 16.923 -2.200 -15.148 1.00 61.25 C HETATM 464 C DLY A 30 16.389 -3.308 -14.239 1.00 53.11 C HETATM 465 O DLY A 30 16.786 -3.446 -13.064 1.00 13.25 O HETATM 466 CB DLY A 30 16.414 -0.830 -14.665 1.00 22.32 C HETATM 467 CG DLY A 30 16.730 0.331 -15.609 1.00 24.24 C HETATM 468 CD DLY A 30 15.940 0.265 -16.918 1.00 21.14 C HETATM 469 CE DLY A 30 14.472 0.626 -16.737 1.00 41.22 C HETATM 470 NZ DLY A 30 14.286 2.030 -16.322 1.00 3.35 N HETATM 0 HZ2 DLY A 30 13.347 2.396 -16.167 1.00 3.35 H new HETATM 0 HZ1 DLY A 30 15.097 2.634 -16.190 1.00 3.35 H new HETATM 0 HG3 DLY A 30 16.511 1.272 -15.105 1.00 24.24 H new HETATM 0 HG2 DLY A 30 17.797 0.330 -15.834 1.00 24.24 H new HETATM 0 HE3 DLY A 30 13.940 0.453 -17.672 1.00 41.22 H new HETATM 0 HE2 DLY A 30 14.028 -0.033 -15.991 1.00 41.22 H new HETATM 0 HD3 DLY A 30 16.390 0.943 -17.644 1.00 21.14 H new HETATM 0 HD2 DLY A 30 16.014 -0.741 -17.332 1.00 21.14 H new HETATM 0 HB3 DLY A 30 15.334 -0.886 -14.526 1.00 22.32 H new HETATM 0 HB2 DLY A 30 16.850 -0.618 -13.689 1.00 22.32 H new HETATM 0 HA DLY A 30 16.532 -2.432 -16.139 1.00 61.25 H new HETATM 484 N DAR A 31 15.473 -4.066 -14.794 1.00 34.24 N HETATM 485 CA DAR A 31 14.736 -5.087 -14.107 1.00 71.41 C HETATM 486 CB DAR A 31 15.275 -6.488 -14.332 1.00 74.32 C HETATM 487 CG DAR A 31 16.564 -6.736 -13.641 1.00 72.30 C HETATM 488 CD DAR A 31 17.122 -8.095 -13.959 1.00 50.32 C HETATM 489 NE DAR A 31 18.390 -8.282 -13.270 1.00 40.30 N HETATM 490 CZ DAR A 31 19.506 -7.585 -13.539 1.00 41.21 C HETATM 491 NH1 DAR A 31 19.548 -6.758 -14.586 1.00 34.51 N HETATM 492 NH2 DAR A 31 20.576 -7.727 -12.783 1.00 61.32 N HETATM 493 C DAR A 31 13.318 -5.050 -14.536 1.00 44.45 C HETATM 494 O DAR A 31 13.002 -4.839 -15.720 1.00 60.03 O HETATM 0 HH22 DAR A 31 21.422 -7.196 -12.991 1.00 61.32 H new HETATM 0 HH21 DAR A 31 20.559 -8.368 -11.990 1.00 61.32 H new HETATM 0 HH12 DAR A 31 20.398 -6.231 -14.786 1.00 34.51 H new HETATM 0 HH11 DAR A 31 18.730 -6.653 -15.186 1.00 34.51 H new HETATM 0 HG3 DAR A 31 17.284 -5.971 -13.932 1.00 72.30 H new HETATM 0 HG2 DAR A 31 16.421 -6.646 -12.564 1.00 72.30 H new HETATM 0 HE DAR A 31 18.434 -8.988 -12.535 1.00 40.30 H new HETATM 0 HD3 DAR A 31 16.416 -8.868 -13.656 1.00 50.32 H new HETATM 0 HD2 DAR A 31 17.264 -8.197 -15.035 1.00 50.32 H new HETATM 0 HB3 DAR A 31 14.539 -7.213 -13.986 1.00 74.32 H new HETATM 0 HB2 DAR A 31 15.406 -6.653 -15.402 1.00 74.32 H new HETATM 0 HA DAR A 31 14.838 -4.871 -13.044 1.00 71.41 H new HETATM 508 N DCY A 32 12.484 -5.221 -13.590 1.00 34.44 N HETATM 509 CA DCY A 32 11.107 -5.298 -13.793 1.00 34.41 C HETATM 510 C DCY A 32 10.918 -6.660 -14.389 1.00 32.54 C HETATM 511 O DCY A 32 11.609 -7.599 -13.980 1.00 3.21 O HETATM 512 CB DCY A 32 10.413 -5.174 -12.445 1.00 22.22 C HETATM 513 SG DCY A 32 8.717 -4.601 -12.555 1.00 73.25 S HETATM 0 HB3 DCY A 32 10.428 -6.144 -11.949 1.00 22.22 H new HETATM 0 HB2 DCY A 32 10.979 -4.486 -11.817 1.00 22.22 H new HETATM 0 HA DCY A 32 10.697 -4.517 -14.434 1.00 34.41 H new HETATM 518 N DAR A 33 10.081 -6.784 -15.366 1.00 21.21 N HETATM 519 CA DAR A 33 9.975 -8.020 -16.114 1.00 5.13 C HETATM 520 CB DAR A 33 10.794 -7.887 -17.413 1.00 52.44 C HETATM 521 CG DAR A 33 12.311 -7.915 -17.214 1.00 11.13 C HETATM 522 CD DAR A 33 13.062 -7.267 -18.378 1.00 12.52 C HETATM 523 NE DAR A 33 12.637 -7.769 -19.690 1.00 23.43 N HETATM 524 CZ DAR A 33 13.399 -7.781 -20.803 1.00 52.44 C HETATM 525 NH1 DAR A 33 14.670 -7.393 -20.763 1.00 72.24 N HETATM 526 NH2 DAR A 33 12.879 -8.184 -21.955 1.00 33.41 N HETATM 527 C DAR A 33 8.529 -8.356 -16.413 1.00 74.03 C HETATM 528 O DAR A 33 7.966 -7.779 -17.349 1.00 43.55 O HETATM 529 OXT DAR A 33 7.934 -9.220 -15.711 1.00 0.00 O HETATM 0 HH22 DAR A 33 13.453 -8.194 -22.798 1.00 33.41 H new HETATM 0 HH21 DAR A 33 11.905 -8.484 -21.998 1.00 33.41 H new HETATM 0 HH12 DAR A 33 15.235 -7.407 -21.612 1.00 72.24 H new HETATM 0 HH11 DAR A 33 15.081 -7.081 -19.883 1.00 72.24 H new HETATM 0 HXT DAR A 33 7.374 -9.781 -16.288 1.00 0.00 H new HETATM 0 HG3 DAR A 33 12.563 -7.397 -16.289 1.00 11.13 H new HETATM 0 HG2 DAR A 33 12.641 -8.948 -17.102 1.00 11.13 H new HETATM 0 HE DAR A 33 11.689 -8.138 -19.766 1.00 23.43 H new HETATM 0 HD3 DAR A 33 12.912 -6.188 -18.343 1.00 12.52 H new HETATM 0 HD2 DAR A 33 14.131 -7.445 -18.257 1.00 12.52 H new HETATM 0 HB3 DAR A 33 10.514 -8.696 -18.088 1.00 52.44 H new HETATM 0 HB2 DAR A 33 10.522 -6.953 -17.905 1.00 52.44 H new HETATM 0 HA DAR A 33 10.375 -8.839 -15.516 1.00 5.13 H new TER 543 DAR A 33