USER MOD reduce.3.24.130724 H: found=0, std=0, add=251, 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 8 DLY H : A 8 DLY N : A 7 DLE C :(H bumps) USER MOD NoAdj-H: A 9 DLE H2 : A 9 DLE N : A 8 DLY C :(H bumps) USER MOD NoAdj-H: A 10 DCY H2 : A 10 DCY N : A 9 DLE C :(H bumps) USER MOD NoAdj-H: A 10 DCY H : A 10 DCY N : A 9 DLE C :(H bumps) USER MOD NoAdj-H: A 11 DLY H2 : A 11 DLY N : A 10 DCY C :(H bumps) USER MOD NoAdj-H: A 11 DLY H : A 11 DLY N : A 10 DCY C :(H bumps) USER MOD NoAdj-H: A 12 DGL 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 23 DAR H2 : A 23 DAR N : A 22 DLY C :(H bumps) USER MOD NoAdj-H: A 23 DAR H : A 23 DAR N : A 22 DLY C :(H bumps) USER MOD NoAdj-H: A 24 DAR H2 : A 24 DAR N : A 23 DAR C :(H bumps) USER MOD NoAdj-H: A 26 DTH HN2 : A 26 DTH N : A 25 GLY C :(H bumps) USER MOD NoAdj-H: A 27 DSG H2 : A 27 DSG N : A 26 DTH C :(H bumps) USER MOD NoAdj-H: A 27 DSG H : 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 Set 1.1: A 18 DSN OG : rot 131:sc= 0.972 USER MOD Set 1.2: A 33 DAR OXT : rot -62:sc= -0.864 USER MOD Single : A 1 GLY N :NH3+ -139:sc= 0.0843 (180deg=0) USER MOD Single : A 12 DGL OE2 : rot 178:sc= -0.037 USER MOD Single : A 15 DAS OD2 : rot 175:sc= 0 USER MOD Single : A 26 DTH OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.742 -6.298 -2.350 1.00 55.04 N ATOM 2 CA GLY A 1 0.073 -5.103 -2.227 1.00 54.10 C ATOM 3 C GLY A 1 1.519 -5.457 -2.303 1.00 51.14 C ATOM 4 O GLY A 1 1.884 -6.426 -2.980 1.00 15.32 O ATOM 0 H1 GLY A 1 -1.564 -6.097 -2.955 1.00 55.04 H new ATOM 0 H2 GLY A 1 -0.178 -7.061 -2.775 1.00 55.04 H new ATOM 0 H3 GLY A 1 -1.069 -6.593 -1.408 1.00 55.04 H new ATOM 0 HA2 GLY A 1 -0.179 -4.399 -3.020 1.00 54.10 H new ATOM 0 HA3 GLY A 1 -0.138 -4.606 -1.280 1.00 54.10 H new HETATM 10 N DAS A 2 2.344 -4.709 -1.616 1.00 22.51 N HETATM 11 CA DAS A 2 3.761 -4.975 -1.591 1.00 73.22 C HETATM 12 C DAS A 2 4.443 -4.171 -2.663 1.00 31.01 C HETATM 13 O DAS A 2 4.372 -2.943 -2.677 1.00 34.35 O HETATM 14 CB DAS A 2 4.366 -4.682 -0.221 1.00 52.14 C HETATM 15 CG DAS A 2 5.851 -4.936 -0.188 1.00 61.05 C HETATM 16 OD1 DAS A 2 6.627 -3.985 -0.006 1.00 24.10 O HETATM 17 OD2 DAS A 2 6.275 -6.087 -0.369 1.00 74.21 O HETATM 0 HB3 DAS A 2 4.171 -3.643 0.046 1.00 52.14 H new HETATM 0 HB2 DAS A 2 3.876 -5.301 0.530 1.00 52.14 H new HETATM 0 HA DAS A 2 3.915 -6.036 -1.786 1.00 73.22 H new HETATM 22 N DCY A 3 5.052 -4.857 -3.568 1.00 31.22 N HETATM 23 CA DCY A 3 5.702 -4.265 -4.697 1.00 22.13 C HETATM 24 C DCY A 3 6.897 -5.120 -5.094 1.00 1.43 C HETATM 25 O DCY A 3 7.004 -6.266 -4.641 1.00 74.42 O HETATM 26 CB DCY A 3 4.677 -4.123 -5.848 1.00 32.42 C HETATM 27 SG DCY A 3 3.577 -5.579 -6.105 1.00 31.52 S HETATM 0 HB3 DCY A 3 4.056 -3.249 -5.654 1.00 32.42 H new HETATM 0 HB2 DCY A 3 5.219 -3.930 -6.774 1.00 32.42 H new HETATM 0 HA DCY A 3 6.075 -3.270 -4.454 1.00 22.13 H new HETATM 0 H DCY A 3 5.415 -5.721 -3.166 1.00 31.22 H new HETATM 32 N DLE A 4 7.819 -4.569 -5.877 1.00 44.10 N HETATM 33 CA DLE A 4 8.974 -5.327 -6.351 1.00 1.33 C HETATM 34 CB DLE A 4 10.004 -4.430 -7.093 1.00 53.00 C HETATM 35 CG DLE A 4 10.833 -3.416 -6.265 1.00 44.33 C HETATM 36 CD1 DLE A 4 11.832 -2.718 -7.157 1.00 70.30 C HETATM 37 CD2 DLE A 4 9.962 -2.377 -5.590 1.00 62.11 C HETATM 38 C DLE A 4 8.488 -6.427 -7.286 1.00 62.22 C HETATM 39 O DLE A 4 7.656 -6.156 -8.151 1.00 40.04 O HETATM 0 HD23 DLE A 4 9.407 -1.821 -6.346 1.00 62.11 H new HETATM 0 HD22 DLE A 4 9.262 -2.871 -4.916 1.00 62.11 H new HETATM 0 HD21 DLE A 4 10.589 -1.690 -5.022 1.00 62.11 H new HETATM 0 HD13 DLE A 4 12.503 -3.455 -7.598 1.00 70.30 H new HETATM 0 HD12 DLE A 4 11.304 -2.188 -7.950 1.00 70.30 H new HETATM 0 HD11 DLE A 4 12.411 -2.007 -6.568 1.00 70.30 H new HETATM 0 HG DLE A 4 11.347 -3.981 -5.487 1.00 44.33 H new HETATM 0 HB3 DLE A 4 10.704 -5.087 -7.610 1.00 53.00 H new HETATM 0 HB2 DLE A 4 9.466 -3.871 -7.859 1.00 53.00 H new HETATM 0 HA DLE A 4 9.480 -5.750 -5.483 1.00 1.33 H new HETATM 0 H DLE A 4 7.762 -3.565 -6.050 1.00 44.10 H new HETATM 51 N DPR A 5 8.976 -7.670 -7.143 1.00 20.02 N HETATM 52 CA DPR A 5 8.501 -8.784 -7.957 1.00 52.45 C HETATM 53 CB DPR A 5 9.161 -10.024 -7.322 1.00 0.12 C HETATM 54 CG DPR A 5 9.762 -9.541 -6.046 1.00 34.35 C HETATM 55 CD DPR A 5 10.064 -8.091 -6.254 1.00 14.10 C HETATM 56 C DPR A 5 8.945 -8.635 -9.404 1.00 2.12 C HETATM 57 O DPR A 5 9.827 -7.828 -9.717 1.00 73.51 O HETATM 0 HG3 DPR A 5 9.073 -9.680 -5.213 1.00 34.35 H new HETATM 0 HG2 DPR A 5 10.668 -10.098 -5.806 1.00 34.35 H new HETATM 0 HD3 DPR A 5 11.043 -7.941 -6.710 1.00 14.10 H new HETATM 0 HD2 DPR A 5 10.060 -7.536 -5.316 1.00 14.10 H new HETATM 0 HB3 DPR A 5 8.428 -10.809 -7.139 1.00 0.12 H new HETATM 0 HB2 DPR A 5 9.921 -10.445 -7.980 1.00 0.12 H new HETATM 0 HA DPR A 5 7.413 -8.843 -7.976 1.00 52.45 H new HETATM 65 N DHI A 6 8.347 -9.383 -10.284 1.00 13.22 N HETATM 66 CA DHI A 6 8.724 -9.292 -11.660 1.00 12.12 C HETATM 67 C DHI A 6 9.922 -10.206 -11.921 1.00 23.41 C HETATM 68 O DHI A 6 10.035 -11.271 -11.310 1.00 54.03 O HETATM 69 CB DHI A 6 7.539 -9.528 -12.625 1.00 72.11 C HETATM 70 CG DHI A 6 7.132 -10.945 -12.879 1.00 13.12 C HETATM 71 ND1 DHI A 6 7.172 -11.489 -14.132 1.00 33.04 N HETATM 72 CD2 DHI A 6 6.647 -11.909 -12.063 1.00 41.04 C HETATM 73 CE1 DHI A 6 6.733 -12.729 -14.088 1.00 74.14 C HETATM 74 NE2 DHI A 6 6.408 -13.010 -12.842 1.00 65.42 N HETATM 0 HE2 DHI A 6 6.039 -13.902 -12.512 1.00 65.42 H new HETATM 0 HE1 DHI A 6 6.652 -13.408 -14.937 1.00 74.14 H new HETATM 0 HD2 DHI A 6 6.478 -11.825 -10.989 1.00 41.04 H new HETATM 0 HD1 DHI A 6 7.493 -11.008 -14.972 1.00 33.04 H new HETATM 0 HB3 DHI A 6 6.674 -8.994 -12.233 1.00 72.11 H new HETATM 0 HB2 DHI A 6 7.788 -9.072 -13.583 1.00 72.11 H new HETATM 0 HA DHI A 6 9.034 -8.269 -11.871 1.00 12.12 H new HETATM 83 N DLE A 7 10.801 -9.748 -12.797 1.00 20.01 N HETATM 84 CA DLE A 7 12.097 -10.341 -13.116 1.00 65.43 C HETATM 85 CB DLE A 7 12.077 -11.875 -13.365 1.00 54.22 C HETATM 86 CG DLE A 7 11.614 -12.375 -14.750 1.00 3.54 C HETATM 87 CD1 DLE A 7 11.711 -13.881 -14.818 1.00 41.34 C HETATM 88 CD2 DLE A 7 10.207 -11.937 -15.082 1.00 0.20 C HETATM 89 C DLE A 7 13.084 -9.960 -12.035 1.00 13.24 C HETATM 90 O DLE A 7 14.140 -10.582 -11.883 1.00 44.02 O HETATM 0 HD23 DLE A 7 9.518 -12.331 -14.335 1.00 0.20 H new HETATM 0 HD22 DLE A 7 10.156 -10.848 -15.084 1.00 0.20 H new HETATM 0 HD21 DLE A 7 9.931 -12.315 -16.066 1.00 0.20 H new HETATM 0 HD13 DLE A 7 12.744 -14.187 -14.655 1.00 41.34 H new HETATM 0 HD12 DLE A 7 11.077 -14.322 -14.049 1.00 41.34 H new HETATM 0 HD11 DLE A 7 11.382 -14.223 -15.799 1.00 41.34 H new HETATM 0 HG DLE A 7 12.277 -11.927 -15.490 1.00 3.54 H new HETATM 0 HB3 DLE A 7 13.084 -12.255 -13.191 1.00 54.22 H new HETATM 0 HB2 DLE A 7 11.431 -12.328 -12.613 1.00 54.22 H new HETATM 0 HA DLE A 7 12.405 -9.931 -14.078 1.00 65.43 H new HETATM 102 N DLY A 8 12.769 -8.883 -11.338 1.00 11.30 N HETATM 103 CA DLY A 8 13.579 -8.403 -10.243 1.00 51.31 C HETATM 104 C DLY A 8 13.977 -6.962 -10.567 1.00 22.15 C HETATM 105 O DLY A 8 13.416 -6.382 -11.483 1.00 11.20 O HETATM 106 CB DLY A 8 12.763 -8.454 -8.937 1.00 25.22 C HETATM 107 CG DLY A 8 13.585 -8.437 -7.657 1.00 40.54 C HETATM 108 CD DLY A 8 14.346 -9.739 -7.501 1.00 3.42 C HETATM 109 CE DLY A 8 15.196 -9.753 -6.249 1.00 74.24 C HETATM 110 NZ DLY A 8 15.948 -11.015 -6.121 1.00 44.32 N HETATM 0 HZ2 DLY A 8 16.564 -11.163 -5.322 1.00 44.32 H new HETATM 0 HZ1 DLY A 8 15.852 -11.740 -6.832 1.00 44.32 H new HETATM 0 HG3 DLY A 8 14.283 -7.600 -7.677 1.00 40.54 H new HETATM 0 HG2 DLY A 8 12.930 -8.286 -6.799 1.00 40.54 H new HETATM 0 HE3 DLY A 8 15.892 -8.914 -6.271 1.00 74.24 H new HETATM 0 HE2 DLY A 8 14.560 -9.617 -5.374 1.00 74.24 H new HETATM 0 HD3 DLY A 8 13.641 -10.569 -7.470 1.00 3.42 H new HETATM 0 HD2 DLY A 8 14.982 -9.894 -8.373 1.00 3.42 H new HETATM 0 HB3 DLY A 8 12.079 -7.605 -8.922 1.00 25.22 H new HETATM 0 HB2 DLY A 8 12.151 -9.356 -8.945 1.00 25.22 H new HETATM 0 HA DLY A 8 14.468 -9.020 -10.112 1.00 51.31 H new HETATM 124 N DLE A 9 14.953 -6.424 -9.849 1.00 0.12 N HETATM 125 CA DLE A 9 15.459 -5.048 -10.048 1.00 62.12 C HETATM 126 CB DLE A 9 16.589 -4.666 -9.031 1.00 4.04 C HETATM 127 CG DLE A 9 16.402 -4.922 -7.488 1.00 31.35 C HETATM 128 CD1 DLE A 9 15.042 -4.506 -6.929 1.00 10.21 C HETATM 129 CD2 DLE A 9 16.789 -6.339 -7.068 1.00 42.53 C HETATM 130 C DLE A 9 14.375 -3.949 -10.089 1.00 5.42 C HETATM 131 O DLE A 9 13.247 -4.138 -9.646 1.00 61.20 O HETATM 0 HD23 DLE A 9 16.168 -7.059 -7.601 1.00 42.53 H new HETATM 0 HD22 DLE A 9 17.837 -6.516 -7.308 1.00 42.53 H new HETATM 0 HD21 DLE A 9 16.639 -6.454 -5.995 1.00 42.53 H new HETATM 0 HD13 DLE A 9 14.894 -3.438 -7.090 1.00 10.21 H new HETATM 0 HD12 DLE A 9 14.254 -5.062 -7.437 1.00 10.21 H new HETATM 0 HD11 DLE A 9 15.007 -4.720 -5.861 1.00 10.21 H new HETATM 0 HG DLE A 9 17.116 -4.243 -7.021 1.00 31.35 H new HETATM 0 HB3 DLE A 9 17.490 -5.198 -9.338 1.00 4.04 H new HETATM 0 HB2 DLE A 9 16.788 -3.602 -9.158 1.00 4.04 H new HETATM 0 HA DLE A 9 15.887 -5.082 -11.050 1.00 62.12 H new HETATM 0 H DLE A 9 15.342 -7.009 -9.109 1.00 0.12 H new HETATM 143 N DCY A 10 14.751 -2.812 -10.616 1.00 11.02 N HETATM 144 CA DCY A 10 13.884 -1.667 -10.697 1.00 43.04 C HETATM 145 C DCY A 10 14.241 -0.660 -9.661 1.00 24.41 C HETATM 146 O DCY A 10 15.420 -0.386 -9.426 1.00 33.03 O HETATM 147 CB DCY A 10 14.012 -0.947 -12.034 1.00 15.02 C HETATM 148 SG DCY A 10 13.275 -1.749 -13.474 1.00 62.40 S HETATM 0 HB3 DCY A 10 13.563 0.041 -11.930 1.00 15.02 H new HETATM 0 HB2 DCY A 10 15.072 -0.796 -12.237 1.00 15.02 H new HETATM 0 HA DCY A 10 12.873 -2.052 -10.561 1.00 43.04 H new HETATM 153 N DLY A 11 13.252 -0.125 -9.035 1.00 41.41 N HETATM 154 CA DLY A 11 13.446 1.005 -8.189 1.00 43.22 C HETATM 155 C DLY A 11 12.442 2.064 -8.628 1.00 4.22 C HETATM 156 O DLY A 11 12.739 3.255 -8.667 1.00 21.01 O HETATM 157 CB DLY A 11 13.306 0.619 -6.726 1.00 44.25 C HETATM 158 CG DLY A 11 13.643 1.732 -5.737 1.00 54.22 C HETATM 159 CD DLY A 11 15.087 2.198 -5.884 1.00 3.35 C HETATM 160 CE DLY A 11 15.447 3.250 -4.848 1.00 61.33 C HETATM 161 NZ DLY A 11 14.669 4.499 -5.007 1.00 51.44 N HETATM 0 HZ2 DLY A 11 14.822 5.280 -4.369 1.00 51.44 H new HETATM 0 HZ1 DLY A 11 13.979 4.579 -5.754 1.00 51.44 H new HETATM 0 HG3 DLY A 11 12.971 2.575 -5.895 1.00 54.22 H new HETATM 0 HG2 DLY A 11 13.477 1.378 -4.720 1.00 54.22 H new HETATM 0 HE3 DLY A 11 15.276 2.845 -3.851 1.00 61.33 H new HETATM 0 HE2 DLY A 11 16.510 3.477 -4.922 1.00 61.33 H new HETATM 0 HD3 DLY A 11 15.757 1.344 -5.783 1.00 3.35 H new HETATM 0 HD2 DLY A 11 15.238 2.605 -6.884 1.00 3.35 H new HETATM 0 HB3 DLY A 11 12.282 0.291 -6.547 1.00 44.25 H new HETATM 0 HB2 DLY A 11 13.954 -0.234 -6.526 1.00 44.25 H new HETATM 0 HA DLY A 11 14.455 1.406 -8.281 1.00 43.22 H new HETATM 175 N DGL A 12 11.275 1.596 -9.021 1.00 3.23 N HETATM 176 CA DGL A 12 10.238 2.407 -9.596 1.00 32.23 C HETATM 177 C DGL A 12 9.271 1.475 -10.303 1.00 63.22 C HETATM 178 O DGL A 12 8.763 0.536 -9.683 1.00 1.31 O HETATM 179 CB DGL A 12 9.530 3.225 -8.515 1.00 54.32 C HETATM 180 CG DGL A 12 8.357 4.050 -9.008 1.00 40.32 C HETATM 181 CD DGL A 12 7.804 4.945 -7.938 1.00 62.53 C HETATM 182 OE1 DGL A 12 7.975 6.184 -8.039 1.00 61.42 O HETATM 183 OE2 DGL A 12 7.216 4.434 -6.959 1.00 3.33 O HETATM 0 HG3 DGL A 12 8.672 4.655 -9.858 1.00 40.32 H new HETATM 0 HG2 DGL A 12 7.571 3.384 -9.364 1.00 40.32 H new HETATM 0 HE2 DGL A 12 6.941 5.140 -6.338 1.00 3.33 H new HETATM 0 HB3 DGL A 12 9.178 2.547 -7.738 1.00 54.32 H new HETATM 0 HB2 DGL A 12 10.256 3.892 -8.050 1.00 54.32 H new HETATM 0 HA DGL A 12 10.657 3.120 -10.306 1.00 32.23 H new HETATM 0 H DGL A 12 11.254 0.583 -9.137 1.00 3.23 H new HETATM 190 N DSG A 13 9.047 1.710 -11.592 1.00 35.02 N HETATM 191 CA DSG A 13 8.153 0.866 -12.414 1.00 2.35 C HETATM 192 C DSG A 13 6.788 0.695 -11.759 1.00 74.44 C HETATM 193 O DSG A 13 6.274 -0.409 -11.680 1.00 42.21 O HETATM 194 CB DSG A 13 7.998 1.406 -13.867 1.00 31.42 C HETATM 195 CG DSG A 13 7.321 2.776 -13.983 1.00 23.53 C HETATM 196 OD1 DSG A 13 7.426 3.619 -13.089 1.00 50.42 O HETATM 197 ND2 DSG A 13 6.617 2.997 -15.068 1.00 15.42 N HETATM 0 HD22 DSG A 13 6.145 3.892 -15.196 1.00 15.42 H new HETATM 0 HD21 DSG A 13 6.541 2.274 -15.783 1.00 15.42 H new HETATM 0 HB3 DSG A 13 8.986 1.467 -14.323 1.00 31.42 H new HETATM 0 HB2 DSG A 13 7.423 0.684 -14.447 1.00 31.42 H new HETATM 0 HA DSG A 13 8.628 -0.113 -12.478 1.00 2.35 H new HETATM 204 N DLY A 14 6.259 1.787 -11.244 1.00 11.32 N HETATM 205 CA DLY A 14 4.977 1.823 -10.563 1.00 71.13 C HETATM 206 C DLY A 14 5.006 0.971 -9.289 1.00 73.32 C HETATM 207 O DLY A 14 4.014 0.339 -8.930 1.00 41.22 O HETATM 208 CB DLY A 14 4.654 3.276 -10.204 1.00 24.41 C HETATM 209 CG DLY A 14 3.340 3.484 -9.459 1.00 32.51 C HETATM 210 CD DLY A 14 3.172 4.934 -9.023 1.00 51.41 C HETATM 211 CE DLY A 14 3.095 5.879 -10.211 1.00 71.51 C HETATM 212 NZ DLY A 14 3.023 7.288 -9.793 1.00 15.03 N HETATM 0 HZ2 DLY A 14 2.967 8.026 -10.495 1.00 15.03 H new HETATM 0 HZ1 DLY A 14 3.029 7.527 -8.801 1.00 15.03 H new HETATM 0 HG3 DLY A 14 2.507 3.196 -10.100 1.00 32.51 H new HETATM 0 HG2 DLY A 14 3.309 2.834 -8.585 1.00 32.51 H new HETATM 0 HE3 DLY A 14 3.969 5.734 -10.846 1.00 71.51 H new HETATM 0 HE2 DLY A 14 2.219 5.634 -10.812 1.00 71.51 H new HETATM 0 HD3 DLY A 14 2.267 5.030 -8.424 1.00 51.41 H new HETATM 0 HD2 DLY A 14 4.008 5.220 -8.385 1.00 51.41 H new HETATM 0 HB3 DLY A 14 5.466 3.672 -9.594 1.00 24.41 H new HETATM 0 HB2 DLY A 14 4.630 3.863 -11.122 1.00 24.41 H new HETATM 0 HA DLY A 14 4.212 1.415 -11.224 1.00 71.13 H new HETATM 226 N DAS A 15 6.162 0.918 -8.650 1.00 62.12 N HETATM 227 CA DAS A 15 6.300 0.221 -7.372 1.00 43.02 C HETATM 228 C DAS A 15 6.610 -1.246 -7.602 1.00 33.33 C HETATM 229 O DAS A 15 6.688 -2.035 -6.672 1.00 52.34 O HETATM 230 CB DAS A 15 7.388 0.870 -6.508 1.00 32.41 C HETATM 231 CG DAS A 15 7.255 0.507 -5.035 1.00 1.52 C HETATM 232 OD1 DAS A 15 6.184 0.752 -4.448 1.00 70.31 O HETATM 233 OD2 DAS A 15 8.235 0.050 -4.410 1.00 35.21 O HETATM 0 HD2 DAS A 15 7.999 -0.058 -3.465 1.00 35.21 H new HETATM 0 HB3 DAS A 15 8.368 0.558 -6.869 1.00 32.41 H new HETATM 0 HB2 DAS A 15 7.337 1.953 -6.618 1.00 32.41 H new HETATM 0 HA DAS A 15 5.353 0.299 -6.838 1.00 43.02 H new HETATM 238 N DCY A 16 6.835 -1.597 -8.838 1.00 63.21 N HETATM 239 CA DCY A 16 7.017 -2.982 -9.212 1.00 35.53 C HETATM 240 C DCY A 16 5.665 -3.608 -9.566 1.00 62.14 C HETATM 241 O DCY A 16 4.828 -2.966 -10.199 1.00 64.30 O HETATM 242 CB DCY A 16 7.961 -3.090 -10.387 1.00 61.11 C HETATM 243 SG DCY A 16 9.615 -2.396 -10.095 1.00 24.51 S HETATM 0 HB3 DCY A 16 8.065 -4.141 -10.657 1.00 61.11 H new HETATM 0 HB2 DCY A 16 7.515 -2.583 -11.243 1.00 61.11 H new HETATM 0 HA DCY A 16 7.449 -3.519 -8.368 1.00 35.53 H new HETATM 248 N DCY A 17 5.478 -4.858 -9.184 1.00 52.41 N HETATM 249 CA DCY A 17 4.218 -5.586 -9.362 1.00 44.31 C HETATM 250 C DCY A 17 3.802 -5.713 -10.828 1.00 4.23 C HETATM 251 O DCY A 17 2.624 -5.772 -11.127 1.00 64.53 O HETATM 252 CB DCY A 17 4.311 -6.980 -8.734 1.00 4.43 C HETATM 253 SG DCY A 17 4.748 -7.002 -6.956 1.00 52.12 S HETATM 0 HB3 DCY A 17 3.354 -7.485 -8.863 1.00 4.43 H new HETATM 0 HB2 DCY A 17 5.054 -7.560 -9.282 1.00 4.43 H new HETATM 0 HA DCY A 17 3.451 -4.999 -8.857 1.00 44.31 H new HETATM 258 N DSN A 18 4.750 -5.748 -11.739 1.00 71.25 N HETATM 259 CA DSN A 18 4.402 -5.879 -13.132 1.00 3.53 C HETATM 260 C DSN A 18 4.291 -4.516 -13.815 1.00 4.10 C HETATM 261 O DSN A 18 3.606 -4.373 -14.841 1.00 65.34 O HETATM 262 CB DSN A 18 5.434 -6.738 -13.825 1.00 5.54 C HETATM 263 OG DSN A 18 6.737 -6.188 -13.661 1.00 34.41 O HETATM 0 HG DSN A 18 7.353 -6.889 -13.361 1.00 34.41 H new HETATM 0 HB3 DSN A 18 5.406 -7.749 -13.418 1.00 5.54 H new HETATM 0 HB2 DSN A 18 5.197 -6.815 -14.886 1.00 5.54 H new HETATM 0 HA DSN A 18 3.424 -6.355 -13.202 1.00 3.53 H new HETATM 269 N DLY A 19 4.938 -3.505 -13.216 1.00 41.51 N HETATM 270 CA DLY A 19 5.012 -2.146 -13.770 1.00 15.21 C HETATM 271 C DLY A 19 5.714 -2.103 -15.142 1.00 4.40 C HETATM 272 O DLY A 19 5.569 -1.139 -15.892 1.00 42.10 O HETATM 273 CB DLY A 19 3.622 -1.465 -13.810 1.00 52.53 C HETATM 274 CG DLY A 19 3.088 -1.032 -12.436 1.00 53.41 C HETATM 275 CD DLY A 19 1.681 -1.565 -12.147 1.00 71.55 C HETATM 276 CE DLY A 19 1.690 -3.073 -12.008 1.00 22.24 C HETATM 277 NZ DLY A 19 0.385 -3.634 -11.630 1.00 62.13 N HETATM 0 HZ2 DLY A 19 0.279 -4.641 -11.509 1.00 62.13 H new HETATM 0 HZ1 DLY A 19 -0.414 -3.016 -11.489 1.00 62.13 H new HETATM 0 HG3 DLY A 19 3.770 -1.382 -11.661 1.00 53.41 H new HETATM 0 HG2 DLY A 19 3.076 0.057 -12.383 1.00 53.41 H new HETATM 0 HE3 DLY A 19 2.007 -3.515 -12.952 1.00 22.24 H new HETATM 0 HE2 DLY A 19 2.429 -3.357 -11.259 1.00 22.24 H new HETATM 0 HD3 DLY A 19 1.298 -1.114 -11.231 1.00 71.55 H new HETATM 0 HD2 DLY A 19 1.006 -1.274 -12.952 1.00 71.55 H new HETATM 0 HB3 DLY A 19 3.678 -0.589 -14.457 1.00 52.53 H new HETATM 0 HB2 DLY A 19 2.907 -2.151 -14.264 1.00 52.53 H new HETATM 0 HA DLY A 19 5.636 -1.568 -13.088 1.00 15.21 H new HETATM 291 N DLY A 20 6.505 -3.129 -15.453 1.00 32.04 N HETATM 292 CA DLY A 20 7.241 -3.157 -16.710 1.00 41.32 C HETATM 293 C DLY A 20 8.737 -3.152 -16.425 1.00 21.35 C HETATM 294 O DLY A 20 9.370 -4.200 -16.352 1.00 25.42 O HETATM 295 CB DLY A 20 6.868 -4.367 -17.594 1.00 24.15 C HETATM 296 CG DLY A 20 5.367 -4.590 -17.761 1.00 22.51 C HETATM 297 CD DLY A 20 5.030 -5.584 -18.878 1.00 34.42 C HETATM 298 CE DLY A 20 5.728 -6.944 -18.740 1.00 22.31 C HETATM 299 NZ DLY A 20 5.438 -7.636 -17.462 1.00 50.32 N HETATM 0 HZ2 DLY A 20 5.853 -8.548 -17.270 1.00 50.32 H new HETATM 0 HZ1 DLY A 20 4.823 -7.200 -16.774 1.00 50.32 H new HETATM 0 HG3 DLY A 20 4.953 -4.954 -16.821 1.00 22.51 H new HETATM 0 HG2 DLY A 20 4.885 -3.636 -17.974 1.00 22.51 H new HETATM 0 HE3 DLY A 20 5.423 -7.585 -19.567 1.00 22.31 H new HETATM 0 HE2 DLY A 20 6.805 -6.800 -18.829 1.00 22.31 H new HETATM 0 HD3 DLY A 20 3.952 -5.742 -18.896 1.00 34.42 H new HETATM 0 HD2 DLY A 20 5.304 -5.143 -19.837 1.00 34.42 H new HETATM 0 HB3 DLY A 20 7.314 -4.232 -18.579 1.00 24.15 H new HETATM 0 HB2 DLY A 20 7.310 -5.265 -17.164 1.00 24.15 H new HETATM 0 HA DLY A 20 6.965 -2.264 -17.270 1.00 41.32 H new HETATM 313 N DCY A 21 9.270 -1.985 -16.217 1.00 22.54 N HETATM 314 CA DCY A 21 10.663 -1.810 -15.872 1.00 3.44 C HETATM 315 C DCY A 21 11.490 -1.537 -17.113 1.00 42.11 C HETATM 316 O DCY A 21 11.459 -0.431 -17.669 1.00 13.12 O HETATM 317 CB DCY A 21 10.796 -0.677 -14.860 1.00 4.51 C HETATM 318 SG DCY A 21 12.494 -0.184 -14.476 1.00 41.45 S HETATM 0 HB3 DCY A 21 10.259 0.192 -15.239 1.00 4.51 H new HETATM 0 HB2 DCY A 21 10.304 -0.977 -13.935 1.00 4.51 H new HETATM 0 HA DCY A 21 11.042 -2.728 -15.422 1.00 3.44 H new HETATM 323 N DLY A 22 12.227 -2.536 -17.552 1.00 5.33 N HETATM 324 CA DLY A 22 13.004 -2.443 -18.775 1.00 43.24 C HETATM 325 C DLY A 22 14.357 -3.100 -18.600 1.00 73.12 C HETATM 326 O DLY A 22 14.544 -3.929 -17.699 1.00 2.34 O HETATM 327 CB DLY A 22 12.264 -3.127 -19.937 1.00 3.34 C HETATM 328 CG DLY A 22 10.959 -2.452 -20.366 1.00 30.24 C HETATM 329 CD DLY A 22 10.242 -3.252 -21.448 1.00 64.53 C HETATM 330 CE DLY A 22 9.733 -4.586 -20.913 1.00 24.33 C HETATM 331 NZ DLY A 22 9.126 -5.415 -21.960 1.00 53.14 N HETATM 0 HZ2 DLY A 22 8.747 -6.333 -21.728 1.00 53.14 H new HETATM 0 HZ1 DLY A 22 9.083 -5.073 -22.920 1.00 53.14 H new HETATM 0 HG3 DLY A 22 10.305 -2.341 -19.501 1.00 30.24 H new HETATM 0 HG2 DLY A 22 11.172 -1.449 -20.735 1.00 30.24 H new HETATM 0 HE3 DLY A 22 10.560 -5.130 -20.457 1.00 24.33 H new HETATM 0 HE2 DLY A 22 9.000 -4.403 -20.128 1.00 24.33 H new HETATM 0 HD3 DLY A 22 9.405 -2.672 -21.837 1.00 64.53 H new HETATM 0 HD2 DLY A 22 10.922 -3.429 -22.282 1.00 64.53 H new HETATM 0 HB3 DLY A 22 12.932 -3.170 -20.797 1.00 3.34 H new HETATM 0 HB2 DLY A 22 12.045 -4.156 -19.652 1.00 3.34 H new HETATM 0 HA DLY A 22 13.142 -1.386 -19.002 1.00 43.24 H new HETATM 0 H DLY A 22 12.619 -3.000 -16.733 1.00 5.33 H new HETATM 345 N DAR A 23 15.298 -2.732 -19.438 1.00 24.32 N HETATM 346 CA DAR A 23 16.605 -3.361 -19.430 1.00 15.35 C HETATM 347 CB DAR A 23 17.743 -2.332 -19.283 1.00 34.11 C HETATM 348 CG DAR A 23 19.144 -2.890 -19.550 1.00 22.42 C HETATM 349 CD DAR A 23 20.223 -1.868 -19.240 1.00 75.13 C HETATM 350 NE DAR A 23 20.457 -1.731 -17.797 1.00 32.11 N HETATM 351 CZ DAR A 23 20.216 -0.630 -17.054 1.00 11.41 C HETATM 352 NH1 DAR A 23 19.621 0.444 -17.586 1.00 22.43 N HETATM 353 NH2 DAR A 23 20.581 -0.604 -15.775 1.00 21.13 N HETATM 354 C DAR A 23 16.810 -4.237 -20.654 1.00 20.15 C HETATM 355 O DAR A 23 17.183 -5.398 -20.517 1.00 24.42 O HETATM 0 HH22 DAR A 23 20.401 0.226 -15.210 1.00 21.13 H new HETATM 0 HH21 DAR A 23 21.041 -1.414 -15.359 1.00 21.13 H new HETATM 0 HH12 DAR A 23 19.446 1.268 -17.010 1.00 22.43 H new HETATM 0 HH11 DAR A 23 19.342 0.439 -18.567 1.00 22.43 H new HETATM 0 HG3 DAR A 23 19.302 -3.782 -18.944 1.00 22.42 H new HETATM 0 HG2 DAR A 23 19.221 -3.196 -20.593 1.00 22.42 H new HETATM 0 HE DAR A 23 20.837 -2.543 -17.311 1.00 32.11 H new HETATM 0 HD3 DAR A 23 21.151 -2.161 -19.731 1.00 75.13 H new HETATM 0 HD2 DAR A 23 19.935 -0.901 -19.653 1.00 75.13 H new HETATM 0 HB3 DAR A 23 17.559 -1.505 -19.969 1.00 34.11 H new HETATM 0 HB2 DAR A 23 17.716 -1.921 -18.274 1.00 34.11 H new HETATM 0 HA DAR A 23 16.639 -4.005 -18.551 1.00 15.35 H new HETATM 369 N DAR A 24 16.508 -3.697 -21.839 1.00 12.23 N HETATM 370 CA DAR A 24 16.781 -4.398 -23.095 1.00 62.45 C HETATM 371 CB DAR A 24 16.446 -3.587 -24.346 1.00 35.33 C HETATM 372 CG DAR A 24 17.203 -2.272 -24.503 1.00 64.21 C HETATM 373 CD DAR A 24 18.698 -2.399 -24.189 1.00 20.43 C HETATM 374 NE DAR A 24 19.396 -3.455 -24.943 1.00 41.01 N HETATM 375 CZ DAR A 24 20.728 -3.628 -24.923 1.00 4.45 C HETATM 376 NH1 DAR A 24 21.502 -2.738 -24.310 1.00 24.14 N HETATM 377 NH2 DAR A 24 21.275 -4.676 -25.527 1.00 53.34 N HETATM 378 C DAR A 24 16.161 -5.785 -23.182 1.00 74.34 C HETATM 379 O DAR A 24 14.976 -6.001 -22.867 1.00 50.42 O HETATM 0 HH22 DAR A 24 22.287 -4.804 -25.510 1.00 53.34 H new HETATM 0 HH21 DAR A 24 20.683 -5.353 -26.008 1.00 53.34 H new HETATM 0 HH12 DAR A 24 22.514 -2.867 -24.294 1.00 24.14 H new HETATM 0 HH11 DAR A 24 21.084 -1.926 -23.856 1.00 24.14 H new HETATM 0 HG3 DAR A 24 17.082 -1.909 -25.524 1.00 64.21 H new HETATM 0 HG2 DAR A 24 16.761 -1.524 -23.844 1.00 64.21 H new HETATM 0 HE DAR A 24 18.836 -4.090 -25.512 1.00 41.01 H new HETATM 0 HD3 DAR A 24 19.181 -1.444 -24.395 1.00 20.43 H new HETATM 0 HD2 DAR A 24 18.817 -2.593 -23.123 1.00 20.43 H new HETATM 0 HB3 DAR A 24 16.643 -4.206 -25.222 1.00 35.33 H new HETATM 0 HB2 DAR A 24 15.377 -3.372 -24.342 1.00 35.33 H new HETATM 0 HA DAR A 24 17.863 -4.529 -23.071 1.00 62.45 H new HETATM 0 H DAR A 24 16.127 -2.751 -21.855 1.00 12.23 H new ATOM 393 N GLY A 25 16.987 -6.698 -23.598 1.00 64.21 N ATOM 394 CA GLY A 25 16.649 -8.073 -23.729 1.00 31.44 C ATOM 395 C GLY A 25 17.910 -8.861 -23.527 1.00 63.31 C ATOM 396 O GLY A 25 18.993 -8.367 -23.865 1.00 44.43 O ATOM 0 H GLY A 25 17.950 -6.492 -23.864 1.00 64.21 H new ATOM 0 HA2 GLY A 25 15.896 -8.356 -22.993 1.00 31.44 H new ATOM 0 HA3 GLY A 25 16.224 -8.273 -24.713 1.00 31.44 H new HETATM 400 N DTH A 26 17.819 -10.020 -22.963 1.00 2.52 N HETATM 401 CA DTH A 26 18.996 -10.805 -22.686 1.00 3.12 C HETATM 402 CB DTH A 26 18.696 -12.326 -22.737 1.00 24.14 C HETATM 403 CG2 DTH A 26 17.712 -12.754 -21.649 1.00 51.40 C HETATM 404 OG1 DTH A 26 18.141 -12.649 -24.024 1.00 25.20 O HETATM 405 C DTH A 26 19.594 -10.407 -21.326 1.00 12.32 C HETATM 406 O DTH A 26 20.726 -10.774 -20.992 1.00 41.40 O HETATM 0 HG23 DTH A 26 18.130 -12.523 -20.669 1.00 51.40 H new HETATM 0 HG22 DTH A 26 16.772 -12.218 -21.778 1.00 51.40 H new HETATM 0 HG21 DTH A 26 17.532 -13.826 -21.723 1.00 51.40 H new HETATM 0 HG1 DTH A 26 17.950 -13.609 -24.066 1.00 25.20 H new HETATM 0 HB DTH A 26 19.632 -12.859 -22.569 1.00 24.14 H new HETATM 0 HA DTH A 26 19.730 -10.596 -23.465 1.00 3.12 H new HETATM 0 H DTH A 26 16.932 -10.483 -23.160 1.00 2.52 H new HETATM 414 N DSG A 27 18.842 -9.636 -20.567 1.00 23.14 N HETATM 415 CA DSG A 27 19.287 -9.190 -19.259 1.00 33.32 C HETATM 416 C DSG A 27 19.937 -7.815 -19.382 1.00 51.45 C HETATM 417 O DSG A 27 19.534 -7.015 -20.213 1.00 44.34 O HETATM 418 CB DSG A 27 18.114 -9.165 -18.277 1.00 2.13 C HETATM 419 CG DSG A 27 18.548 -8.864 -16.859 1.00 40.14 C HETATM 420 OD1 DSG A 27 18.552 -7.732 -16.434 1.00 74.50 O HETATM 421 ND2 DSG A 27 18.938 -9.876 -16.134 1.00 72.31 N HETATM 0 HD22 DSG A 27 19.241 -9.727 -15.171 1.00 72.31 H new HETATM 0 HD21 DSG A 27 18.940 -10.816 -16.530 1.00 72.31 H new HETATM 0 HB3 DSG A 27 17.392 -8.415 -18.599 1.00 2.13 H new HETATM 0 HB2 DSG A 27 17.605 -10.129 -18.300 1.00 2.13 H new HETATM 0 HA DSG A 27 20.028 -9.889 -18.870 1.00 33.32 H new HETATM 428 N DIL A 28 20.940 -7.552 -18.580 1.00 11.34 N HETATM 429 CA DIL A 28 21.702 -6.305 -18.690 1.00 52.35 C HETATM 430 C DIL A 28 21.336 -5.302 -17.564 1.00 33.14 C HETATM 431 O DIL A 28 21.881 -4.189 -17.482 1.00 54.43 O HETATM 432 CB DIL A 28 23.252 -6.582 -18.700 1.00 35.51 C HETATM 433 CG1 DIL A 28 23.832 -6.925 -17.291 1.00 11.02 C HETATM 434 CG2 DIL A 28 24.026 -5.451 -19.360 1.00 21.31 C HETATM 435 CD1 DIL A 28 23.383 -8.249 -16.692 1.00 72.43 C HETATM 0 HG23 DIL A 28 23.693 -5.336 -20.392 1.00 21.31 H new HETATM 0 HG22 DIL A 28 23.849 -4.523 -18.816 1.00 21.31 H new HETATM 0 HG21 DIL A 28 25.091 -5.682 -19.346 1.00 21.31 H new HETATM 0 HG13 DIL A 28 24.920 -6.929 -17.359 1.00 11.02 H new HETATM 0 HG12 DIL A 28 23.559 -6.126 -16.602 1.00 11.02 H new HETATM 0 HD13 DIL A 28 22.299 -8.249 -16.582 1.00 72.43 H new HETATM 0 HD12 DIL A 28 23.681 -9.066 -17.350 1.00 72.43 H new HETATM 0 HD11 DIL A 28 23.847 -8.382 -15.715 1.00 72.43 H new HETATM 0 HB DIL A 28 23.385 -7.477 -19.307 1.00 35.51 H new HETATM 0 HA DIL A 28 21.428 -5.849 -19.642 1.00 52.35 H new HETATM 447 N DGL A 29 20.410 -5.673 -16.735 1.00 42.51 N HETATM 448 CA DGL A 29 20.017 -4.849 -15.618 1.00 74.30 C HETATM 449 C DGL A 29 18.682 -4.213 -15.901 1.00 14.41 C HETATM 450 O DGL A 29 17.984 -4.599 -16.842 1.00 53.12 O HETATM 451 CB DGL A 29 19.913 -5.700 -14.368 1.00 64.42 C HETATM 452 CG DGL A 29 21.196 -6.392 -14.001 1.00 15.21 C HETATM 453 CD DGL A 29 20.991 -7.396 -12.922 1.00 2.31 C HETATM 454 OE1 DGL A 29 20.601 -8.526 -13.232 1.00 32.23 O HETATM 455 OE2 DGL A 29 21.222 -7.087 -11.740 1.00 52.14 O HETATM 0 HG3 DGL A 29 21.609 -6.884 -14.882 1.00 15.21 H new HETATM 0 HG2 DGL A 29 21.928 -5.653 -13.676 1.00 15.21 H new HETATM 0 HB3 DGL A 29 19.599 -5.071 -13.535 1.00 64.42 H new HETATM 0 HB2 DGL A 29 19.135 -6.449 -14.513 1.00 64.42 H new HETATM 0 HA DGL A 29 20.765 -4.071 -15.467 1.00 74.30 H new HETATM 462 N DLY A 30 18.326 -3.263 -15.102 1.00 54.31 N HETATM 463 CA DLY A 30 17.074 -2.605 -15.241 1.00 55.42 C HETATM 464 C DLY A 30 16.129 -3.358 -14.335 1.00 41.14 C HETATM 465 O DLY A 30 16.205 -3.235 -13.108 1.00 63.44 O HETATM 466 CB DLY A 30 17.228 -1.147 -14.800 1.00 64.31 C HETATM 467 CG DLY A 30 16.125 -0.186 -15.226 1.00 3.01 C HETATM 468 CD DLY A 30 16.030 -0.065 -16.742 1.00 52.03 C HETATM 469 CE DLY A 30 15.296 1.210 -17.166 1.00 33.54 C HETATM 470 NZ DLY A 30 13.918 1.301 -16.653 1.00 23.11 N HETATM 0 HZ2 DLY A 30 13.342 2.112 -16.878 1.00 23.11 H new HETATM 0 HZ1 DLY A 30 13.539 0.553 -16.072 1.00 23.11 H new HETATM 0 HG3 DLY A 30 15.170 -0.531 -14.829 1.00 3.01 H new HETATM 0 HG2 DLY A 30 16.314 0.797 -14.795 1.00 3.01 H new HETATM 0 HE3 DLY A 30 15.861 2.076 -16.819 1.00 33.54 H new HETATM 0 HE2 DLY A 30 15.273 1.260 -18.255 1.00 33.54 H new HETATM 0 HD3 DLY A 30 17.032 -0.067 -17.170 1.00 52.03 H new HETATM 0 HD2 DLY A 30 15.510 -0.934 -17.144 1.00 52.03 H new HETATM 0 HB3 DLY A 30 17.298 -1.125 -13.712 1.00 64.31 H new HETATM 0 HB2 DLY A 30 18.175 -0.772 -15.187 1.00 64.31 H new HETATM 0 HA DLY A 30 16.704 -2.595 -16.266 1.00 55.42 H new HETATM 484 N DAR A 31 15.313 -4.196 -14.918 1.00 24.42 N HETATM 485 CA DAR A 31 14.450 -5.045 -14.142 1.00 14.22 C HETATM 486 CB DAR A 31 14.814 -6.533 -14.300 1.00 64.12 C HETATM 487 CG DAR A 31 16.168 -6.940 -13.738 1.00 63.21 C HETATM 488 CD DAR A 31 16.314 -8.455 -13.760 1.00 3.20 C HETATM 489 NE DAR A 31 17.615 -8.917 -13.250 1.00 0.02 N HETATM 490 CZ DAR A 31 17.845 -10.113 -12.669 1.00 63.23 C HETATM 491 NH1 DAR A 31 16.840 -10.919 -12.342 1.00 72.55 N HETATM 492 NH2 DAR A 31 19.078 -10.462 -12.371 1.00 63.22 N HETATM 493 C DAR A 31 12.996 -4.862 -14.488 1.00 33.23 C HETATM 494 O DAR A 31 12.622 -4.709 -15.675 1.00 73.42 O HETATM 0 HH22 DAR A 31 19.261 -11.364 -11.932 1.00 63.22 H new HETATM 0 HH21 DAR A 31 19.851 -9.830 -12.579 1.00 63.22 H new HETATM 0 HH12 DAR A 31 17.031 -11.820 -11.903 1.00 72.55 H new HETATM 0 HH11 DAR A 31 15.878 -10.637 -12.530 1.00 72.55 H new HETATM 0 HG3 DAR A 31 16.965 -6.482 -14.324 1.00 63.21 H new HETATM 0 HG2 DAR A 31 16.271 -6.572 -12.717 1.00 63.21 H new HETATM 0 HE DAR A 31 18.407 -8.281 -13.343 1.00 0.02 H new HETATM 0 HD3 DAR A 31 15.518 -8.899 -13.163 1.00 3.20 H new HETATM 0 HD2 DAR A 31 16.183 -8.812 -14.782 1.00 3.20 H new HETATM 0 HB3 DAR A 31 14.044 -7.131 -13.813 1.00 64.12 H new HETATM 0 HB2 DAR A 31 14.790 -6.784 -15.360 1.00 64.12 H new HETATM 0 HA DAR A 31 14.603 -4.743 -13.106 1.00 14.22 H new HETATM 508 N DCY A 32 12.191 -4.862 -13.467 1.00 23.34 N HETATM 509 CA DCY A 32 10.777 -4.868 -13.598 1.00 12.12 C HETATM 510 C DCY A 32 10.413 -6.289 -13.853 1.00 72.45 C HETATM 511 O DCY A 32 10.560 -7.118 -12.985 1.00 60.51 O HETATM 512 CB DCY A 32 10.114 -4.373 -12.319 1.00 33.31 C HETATM 513 SG DCY A 32 10.520 -2.649 -11.877 1.00 62.02 S HETATM 0 HB3 DCY A 32 9.033 -4.463 -12.426 1.00 33.31 H new HETATM 0 HB2 DCY A 32 10.408 -5.025 -11.496 1.00 33.31 H new HETATM 0 HA DCY A 32 10.444 -4.209 -14.400 1.00 12.12 H new HETATM 518 N DAR A 33 10.001 -6.568 -15.050 1.00 41.24 N HETATM 519 CA DAR A 33 9.782 -7.909 -15.513 1.00 31.14 C HETATM 520 CB DAR A 33 10.660 -8.169 -16.742 1.00 13.44 C HETATM 521 CG DAR A 33 10.348 -7.275 -17.931 1.00 43.01 C HETATM 522 CD DAR A 33 11.380 -7.434 -19.031 1.00 23.45 C HETATM 523 NE DAR A 33 12.666 -6.806 -18.678 1.00 40.42 N HETATM 524 CZ DAR A 33 13.832 -7.035 -19.311 1.00 41.43 C HETATM 525 NH1 DAR A 33 13.884 -7.924 -20.282 1.00 23.03 N HETATM 526 NH2 DAR A 33 14.935 -6.375 -18.956 1.00 1.52 N HETATM 527 C DAR A 33 8.322 -8.118 -15.814 1.00 41.15 C HETATM 528 O DAR A 33 7.851 -9.276 -15.810 1.00 34.23 O HETATM 529 OXT DAR A 33 7.609 -7.104 -15.989 1.00 0.00 O HETATM 0 HH22 DAR A 33 15.815 -6.554 -19.440 1.00 1.52 H new HETATM 0 HH21 DAR A 33 14.899 -5.691 -18.200 1.00 1.52 H new HETATM 0 HH12 DAR A 33 14.765 -8.101 -20.765 1.00 23.03 H new HETATM 0 HH11 DAR A 33 13.043 -8.435 -20.551 1.00 23.03 H new HETATM 0 HXT DAR A 33 7.594 -6.569 -15.168 1.00 0.00 H new HETATM 0 HG3 DAR A 33 9.359 -7.517 -18.320 1.00 43.01 H new HETATM 0 HG2 DAR A 33 10.317 -6.235 -17.607 1.00 43.01 H new HETATM 0 HE DAR A 33 12.673 -6.150 -17.897 1.00 40.42 H new HETATM 0 HD3 DAR A 33 11.537 -8.494 -19.230 1.00 23.45 H new HETATM 0 HD2 DAR A 33 11.000 -6.990 -19.951 1.00 23.45 H new HETATM 0 HB3 DAR A 33 11.705 -8.033 -16.463 1.00 13.44 H new HETATM 0 HB2 DAR A 33 10.544 -9.210 -17.044 1.00 13.44 H new HETATM 0 HA DAR A 33 10.061 -8.623 -14.738 1.00 31.14 H new TER 543 DAR A 33