USER MOD reduce.3.24.130724 H: found=0, std=0, add=252, rem=0, adj=5 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 3 DCY H : A 3 DCY N : A 2 DAS C :(H bumps) USER MOD NoAdj-H: A 4 DLE H2 : A 4 DLE N : A 3 DCY C :(H bumps) USER MOD NoAdj-H: A 5 DPR H : A 5 DPR N : A 4 DLE C :(H bumps) USER MOD NoAdj-H: A 6 DHI H2 : A 6 DHI N : A 5 DPR C :(H bumps) USER MOD NoAdj-H: A 6 DHI H : A 6 DHI N : A 5 DPR C :(H bumps) USER MOD NoAdj-H: A 7 DLE H2 : A 7 DLE N : A 6 DHI C :(H bumps) USER MOD NoAdj-H: A 7 DLE H : A 7 DLE N : A 6 DHI C :(H bumps) USER MOD NoAdj-H: A 8 DLY H2 : A 8 DLY N : A 7 DLE C :(H bumps) USER MOD NoAdj-H: A 9 DLE H2 : A 9 DLE N : A 8 DLY C :(H bumps) USER MOD NoAdj-H: A 10 DCY H2 : A 10 DCY N : A 9 DLE C :(H bumps) USER MOD NoAdj-H: A 11 DLY H2 : A 11 DLY N : A 10 DCY C :(H bumps) USER MOD NoAdj-H: A 12 DGL HE2 : A 12 DGL OE2 : A 12 DGL CD :(short bond) USER MOD NoAdj-H: A 12 DGL H2 : A 12 DGL N : A 11 DLY C :(H bumps) USER MOD NoAdj-H: A 12 DGL H : A 12 DGL N : A 11 DLY C :(H bumps) USER MOD NoAdj-H: A 13 DSG H2 : A 13 DSG N : A 12 DGL C :(H bumps) USER MOD NoAdj-H: A 13 DSG H : A 13 DSG N : A 12 DGL C :(H bumps) USER MOD NoAdj-H: A 14 DLY H2 : A 14 DLY N : A 13 DSG C :(H bumps) USER MOD NoAdj-H: A 14 DLY H : A 14 DLY N : A 13 DSG C :(H bumps) USER MOD NoAdj-H: A 15 DAS HD2 : A 15 DAS OD2 : A 15 DAS CG :(short bond) USER MOD NoAdj-H: A 15 DAS H2 : A 15 DAS N : A 14 DLY C :(H bumps) USER MOD NoAdj-H: A 15 DAS H : A 15 DAS N : A 14 DLY C :(H bumps) USER MOD NoAdj-H: A 16 DCY H2 : A 16 DCY N : A 15 DAS C :(H bumps) USER MOD NoAdj-H: A 16 DCY H : A 16 DCY N : A 15 DAS C :(H bumps) USER MOD NoAdj-H: A 17 DCY H2 : A 17 DCY N : A 16 DCY C :(H bumps) USER MOD NoAdj-H: A 17 DCY H : A 17 DCY N : A 16 DCY C :(H bumps) USER MOD NoAdj-H: A 18 DSN H2 : A 18 DSN N : A 17 DCY C :(H bumps) USER MOD NoAdj-H: A 18 DSN H : A 18 DSN N : A 17 DCY C :(H bumps) USER MOD NoAdj-H: A 19 DLY H2 : A 19 DLY N : A 18 DSN C :(H bumps) USER MOD NoAdj-H: A 19 DLY H : A 19 DLY N : A 18 DSN C :(H bumps) USER MOD NoAdj-H: A 20 DLY H2 : A 20 DLY N : A 19 DLY C :(H bumps) USER MOD NoAdj-H: A 20 DLY H : A 20 DLY N : A 19 DLY C :(H bumps) USER MOD NoAdj-H: A 21 DCY H2 : A 21 DCY N : A 20 DLY C :(H bumps) USER MOD NoAdj-H: A 21 DCY H : A 21 DCY N : A 20 DLY C :(H bumps) USER MOD NoAdj-H: A 22 DLY H2 : A 22 DLY N : A 21 DCY C :(H bumps) USER MOD NoAdj-H: A 23 DAR H2 : A 23 DAR N : A 22 DLY C :(H bumps) USER MOD NoAdj-H: A 24 DAR 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 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+ -100:sc= 0.0965 (180deg=0) USER MOD Single : A 2 DAS OD2 : rot 166:sc= 0 USER MOD Single : A 18 DSN OG : rot -178:sc= 1.34 USER MOD Single : A 26 DTH OG1 : rot 180:sc= 0 USER MOD Single : A 29 DGL OE2 : rot 179:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.866 4.972 -3.411 1.00 71.42 N ATOM 2 CA GLY A 1 8.147 4.015 -2.344 1.00 44.42 C ATOM 3 C GLY A 1 7.448 2.715 -2.601 1.00 3.04 C ATOM 4 O GLY A 1 6.471 2.675 -3.352 1.00 75.00 O ATOM 0 H1 GLY A 1 8.667 4.997 -4.074 1.00 71.42 H new ATOM 0 H2 GLY A 1 7.005 4.683 -3.918 1.00 71.42 H new ATOM 0 H3 GLY A 1 7.726 5.918 -3.001 1.00 71.42 H new ATOM 0 HA2 GLY A 1 9.222 3.848 -2.272 1.00 44.42 H new ATOM 0 HA3 GLY A 1 7.824 4.424 -1.387 1.00 44.42 H new HETATM 10 N DAS A 2 7.914 1.662 -1.979 1.00 44.13 N HETATM 11 CA DAS A 2 7.362 0.334 -2.195 1.00 34.30 C HETATM 12 C DAS A 2 7.954 -0.222 -3.488 1.00 64.00 C HETATM 13 O DAS A 2 9.118 0.069 -3.809 1.00 33.54 O HETATM 14 CB DAS A 2 7.678 -0.572 -0.988 1.00 72.21 C HETATM 15 CG DAS A 2 7.004 -1.928 -1.051 1.00 41.54 C HETATM 16 OD1 DAS A 2 7.692 -2.960 -0.939 1.00 61.30 O HETATM 17 OD2 DAS A 2 5.766 -1.982 -1.199 1.00 2.10 O HETATM 0 HD2 DAS A 2 5.506 -2.894 -1.447 1.00 2.10 H new HETATM 0 HB3 DAS A 2 8.757 -0.715 -0.925 1.00 72.21 H new HETATM 0 HB2 DAS A 2 7.370 -0.065 -0.074 1.00 72.21 H new HETATM 0 HA DAS A 2 6.277 0.377 -2.289 1.00 34.30 H new HETATM 22 N DCY A 3 7.174 -0.963 -4.244 1.00 3.32 N HETATM 23 CA DCY A 3 7.633 -1.440 -5.535 1.00 53.25 C HETATM 24 C DCY A 3 8.368 -2.767 -5.435 1.00 64.25 C HETATM 25 O DCY A 3 8.187 -3.544 -4.491 1.00 22.20 O HETATM 26 CB DCY A 3 6.485 -1.526 -6.563 1.00 43.42 C HETATM 27 SG DCY A 3 5.132 -2.669 -6.129 1.00 53.43 S HETATM 0 HB3 DCY A 3 6.066 -0.529 -6.699 1.00 43.42 H new HETATM 0 HB2 DCY A 3 6.902 -1.831 -7.523 1.00 43.42 H new HETATM 0 HA DCY A 3 8.346 -0.698 -5.893 1.00 53.25 H new HETATM 32 N DLE A 4 9.196 -2.992 -6.396 1.00 30.02 N HETATM 33 CA DLE A 4 9.986 -4.168 -6.534 1.00 41.41 C HETATM 34 CB DLE A 4 11.306 -3.746 -7.159 1.00 42.32 C HETATM 35 CG DLE A 4 12.037 -2.650 -6.366 1.00 72.14 C HETATM 36 CD1 DLE A 4 12.605 -3.181 -5.065 1.00 62.53 C HETATM 37 CD2 DLE A 4 13.086 -1.958 -7.197 1.00 23.52 C HETATM 38 C DLE A 4 9.204 -5.146 -7.415 1.00 32.34 C HETATM 39 O DLE A 4 8.504 -4.710 -8.351 1.00 2.33 O HETATM 0 HD23 DLE A 4 13.825 -2.687 -7.531 1.00 23.52 H new HETATM 0 HD22 DLE A 4 12.616 -1.494 -8.064 1.00 23.52 H new HETATM 0 HD21 DLE A 4 13.578 -1.192 -6.598 1.00 23.52 H new HETATM 0 HD13 DLE A 4 11.796 -3.569 -4.446 1.00 62.53 H new HETATM 0 HD12 DLE A 4 13.315 -3.981 -5.277 1.00 62.53 H new HETATM 0 HD11 DLE A 4 13.114 -2.376 -4.535 1.00 62.53 H new HETATM 0 HG DLE A 4 11.294 -1.897 -6.105 1.00 72.14 H new HETATM 0 HB3 DLE A 4 11.955 -4.618 -7.242 1.00 42.32 H new HETATM 0 HB2 DLE A 4 11.122 -3.389 -8.172 1.00 42.32 H new HETATM 0 HA DLE A 4 10.196 -4.663 -5.586 1.00 41.41 H new HETATM 0 H DLE A 4 9.565 -2.091 -6.700 1.00 30.02 H new HETATM 51 N DPR A 5 9.308 -6.456 -7.156 1.00 30.34 N HETATM 52 CA DPR A 5 8.423 -7.451 -7.738 1.00 60.44 C HETATM 53 CB DPR A 5 8.530 -8.638 -6.751 1.00 11.40 C HETATM 54 CG DPR A 5 9.527 -8.216 -5.710 1.00 44.15 C HETATM 55 CD DPR A 5 10.316 -7.108 -6.324 1.00 0.22 C HETATM 56 C DPR A 5 8.767 -7.919 -9.156 1.00 21.40 C HETATM 57 O DPR A 5 9.734 -7.477 -9.780 1.00 73.05 O HETATM 0 HG3 DPR A 5 9.025 -7.882 -4.802 1.00 44.15 H new HETATM 0 HG2 DPR A 5 10.174 -9.047 -5.429 1.00 44.15 H new HETATM 0 HD3 DPR A 5 11.155 -7.480 -6.912 1.00 0.22 H new HETATM 0 HD2 DPR A 5 10.727 -6.433 -5.573 1.00 0.22 H new HETATM 0 HB3 DPR A 5 7.563 -8.859 -6.299 1.00 11.40 H new HETATM 0 HB2 DPR A 5 8.858 -9.543 -7.262 1.00 11.40 H new HETATM 0 HA DPR A 5 7.428 -7.024 -7.862 1.00 60.44 H new HETATM 65 N DHI A 6 7.931 -8.838 -9.615 1.00 53.40 N HETATM 66 CA DHI A 6 7.991 -9.489 -10.915 1.00 5.24 C HETATM 67 C DHI A 6 9.341 -10.205 -11.093 1.00 71.22 C HETATM 68 O DHI A 6 9.682 -11.099 -10.317 1.00 55.33 O HETATM 69 CB DHI A 6 6.810 -10.481 -10.949 1.00 12.42 C HETATM 70 CG DHI A 6 6.542 -11.224 -12.223 1.00 11.22 C HETATM 71 ND1 DHI A 6 6.470 -10.629 -13.453 1.00 33.01 N HETATM 72 CD2 DHI A 6 6.223 -12.517 -12.423 1.00 73.30 C HETATM 73 CE1 DHI A 6 6.105 -11.514 -14.348 1.00 51.24 C HETATM 74 NE2 DHI A 6 5.952 -12.668 -13.750 1.00 34.34 N HETATM 0 HE2 DHI A 6 5.675 -13.539 -14.203 1.00 34.34 H new HETATM 0 HE1 DHI A 6 5.954 -11.322 -15.410 1.00 51.24 H new HETATM 0 HD2 DHI A 6 6.188 -13.298 -11.664 1.00 73.30 H new HETATM 0 HD1 DHI A 6 6.670 -9.647 -13.644 1.00 33.01 H new HETATM 0 HB3 DHI A 6 6.972 -11.218 -10.162 1.00 12.42 H new HETATM 0 HB2 DHI A 6 5.906 -9.931 -10.689 1.00 12.42 H new HETATM 0 HA DHI A 6 7.914 -8.773 -11.733 1.00 5.24 H new HETATM 83 N DLE A 7 10.095 -9.759 -12.087 1.00 53.34 N HETATM 84 CA DLE A 7 11.433 -10.246 -12.410 1.00 61.12 C HETATM 85 CB DLE A 7 11.528 -11.661 -13.007 1.00 14.01 C HETATM 86 CG DLE A 7 10.982 -11.837 -14.428 1.00 2.42 C HETATM 87 CD1 DLE A 7 11.502 -13.115 -15.036 1.00 73.54 C HETATM 88 CD2 DLE A 7 9.484 -11.884 -14.422 1.00 25.43 C HETATM 89 C DLE A 7 12.416 -10.011 -11.306 1.00 25.40 C HETATM 90 O DLE A 7 12.883 -10.934 -10.642 1.00 31.41 O HETATM 0 HD23 DLE A 7 9.149 -12.722 -13.811 1.00 25.43 H new HETATM 0 HD22 DLE A 7 9.092 -10.955 -14.009 1.00 25.43 H new HETATM 0 HD21 DLE A 7 9.120 -12.009 -15.442 1.00 25.43 H new HETATM 0 HD13 DLE A 7 12.591 -13.082 -15.076 1.00 73.54 H new HETATM 0 HD12 DLE A 7 11.186 -13.962 -14.427 1.00 73.54 H new HETATM 0 HD11 DLE A 7 11.105 -13.226 -16.045 1.00 73.54 H new HETATM 0 HG DLE A 7 11.315 -10.983 -15.018 1.00 2.42 H new HETATM 0 HB3 DLE A 7 12.575 -11.964 -13.003 1.00 14.01 H new HETATM 0 HB2 DLE A 7 10.995 -12.347 -12.348 1.00 14.01 H new HETATM 0 HA DLE A 7 11.724 -9.615 -13.250 1.00 61.12 H new HETATM 102 N DLY A 8 12.690 -8.767 -11.091 1.00 4.30 N HETATM 103 CA DLY A 8 13.618 -8.322 -10.101 1.00 65.35 C HETATM 104 C DLY A 8 14.114 -6.993 -10.597 1.00 22.40 C HETATM 105 O DLY A 8 13.571 -6.483 -11.554 1.00 15.34 O HETATM 106 CB DLY A 8 12.903 -8.142 -8.746 1.00 44.04 C HETATM 107 CG DLY A 8 13.817 -8.038 -7.531 1.00 52.44 C HETATM 108 CD DLY A 8 14.629 -9.307 -7.359 1.00 62.33 C HETATM 109 CE DLY A 8 15.494 -9.263 -6.116 1.00 64.32 C HETATM 110 NZ DLY A 8 14.697 -9.228 -4.879 1.00 34.53 N HETATM 0 HZ2 DLY A 8 15.163 -9.197 -3.972 1.00 34.53 H new HETATM 0 HZ1 DLY A 8 13.678 -9.235 -4.928 1.00 34.53 H new HETATM 0 HG3 DLY A 8 14.486 -7.185 -7.645 1.00 52.44 H new HETATM 0 HG2 DLY A 8 13.221 -7.858 -6.636 1.00 52.44 H new HETATM 0 HE3 DLY A 8 16.147 -10.136 -6.100 1.00 64.32 H new HETATM 0 HE2 DLY A 8 16.138 -8.384 -6.155 1.00 64.32 H new HETATM 0 HD3 DLY A 8 13.956 -10.163 -7.303 1.00 62.33 H new HETATM 0 HD2 DLY A 8 15.260 -9.455 -8.235 1.00 62.33 H new HETATM 0 HB3 DLY A 8 12.289 -7.242 -8.795 1.00 44.04 H new HETATM 0 HB2 DLY A 8 12.225 -8.983 -8.598 1.00 44.04 H new HETATM 0 HA DLY A 8 14.428 -9.035 -9.951 1.00 65.35 H new HETATM 0 H DLY A 8 12.505 -8.191 -11.912 1.00 4.30 H new HETATM 124 N DLE A 9 15.125 -6.457 -9.992 1.00 55.53 N HETATM 125 CA DLE A 9 15.631 -5.152 -10.367 1.00 22.24 C HETATM 126 CB DLE A 9 16.964 -4.862 -9.637 1.00 54.31 C HETATM 127 CG DLE A 9 17.080 -5.284 -8.144 1.00 11.22 C HETATM 128 CD1 DLE A 9 18.460 -4.977 -7.626 1.00 42.33 C HETATM 129 CD2 DLE A 9 16.031 -4.622 -7.252 1.00 30.14 C HETATM 130 C DLE A 9 14.591 -4.036 -10.147 1.00 24.10 C HETATM 131 O DLE A 9 13.651 -4.194 -9.372 1.00 41.33 O HETATM 0 HD23 DLE A 9 16.145 -3.539 -7.299 1.00 30.14 H new HETATM 0 HD22 DLE A 9 15.034 -4.897 -7.597 1.00 30.14 H new HETATM 0 HD21 DLE A 9 16.165 -4.957 -6.223 1.00 30.14 H new HETATM 0 HD13 DLE A 9 19.199 -5.525 -8.211 1.00 42.33 H new HETATM 0 HD12 DLE A 9 18.651 -3.907 -7.711 1.00 42.33 H new HETATM 0 HD11 DLE A 9 18.531 -5.276 -6.580 1.00 42.33 H new HETATM 0 HG DLE A 9 16.896 -6.358 -8.106 1.00 11.22 H new HETATM 0 HB3 DLE A 9 17.763 -5.358 -10.188 1.00 54.31 H new HETATM 0 HB2 DLE A 9 17.153 -3.790 -9.698 1.00 54.31 H new HETATM 0 HA DLE A 9 15.830 -5.165 -11.439 1.00 22.24 H new HETATM 0 H DLE A 9 15.644 -7.035 -9.331 1.00 55.53 H new HETATM 143 N DCY A 10 14.734 -2.968 -10.870 1.00 33.03 N HETATM 144 CA DCY A 10 13.914 -1.799 -10.716 1.00 30.54 C HETATM 145 C DCY A 10 14.733 -0.605 -11.119 1.00 23.21 C HETATM 146 O DCY A 10 15.906 -0.754 -11.492 1.00 50.01 O HETATM 147 CB DCY A 10 12.624 -1.877 -11.559 1.00 70.22 C HETATM 148 SG DCY A 10 12.884 -1.977 -13.371 1.00 31.23 S HETATM 0 HB3 DCY A 10 12.053 -2.749 -11.241 1.00 70.22 H new HETATM 0 HB2 DCY A 10 12.014 -1.000 -11.343 1.00 70.22 H new HETATM 0 HA DCY A 10 13.598 -1.720 -9.676 1.00 30.54 H new HETATM 0 H DCY A 10 15.693 -2.878 -11.204 1.00 33.03 H new HETATM 153 N DLY A 11 14.166 0.559 -11.022 1.00 41.52 N HETATM 154 CA DLY A 11 14.836 1.742 -11.423 1.00 41.13 C HETATM 155 C DLY A 11 13.858 2.554 -12.245 1.00 3.21 C HETATM 156 O DLY A 11 14.099 2.842 -13.423 1.00 44.43 O HETATM 157 CB DLY A 11 15.278 2.496 -10.184 1.00 61.32 C HETATM 158 CG DLY A 11 16.236 3.637 -10.420 1.00 32.04 C HETATM 159 CD DLY A 11 16.531 4.362 -9.116 1.00 55.13 C HETATM 160 CE DLY A 11 17.161 3.453 -8.057 1.00 14.45 C HETATM 161 NZ DLY A 11 18.469 2.891 -8.479 1.00 52.32 N HETATM 0 HZ2 DLY A 11 18.983 2.270 -7.854 1.00 52.32 H new HETATM 0 HZ1 DLY A 11 18.854 3.126 -9.394 1.00 52.32 H new HETATM 0 HG3 DLY A 11 17.163 3.258 -10.850 1.00 32.04 H new HETATM 0 HG2 DLY A 11 15.810 4.334 -11.142 1.00 32.04 H new HETATM 0 HE3 DLY A 11 17.295 4.018 -7.134 1.00 14.45 H new HETATM 0 HE2 DLY A 11 16.476 2.635 -7.833 1.00 14.45 H new HETATM 0 HD3 DLY A 11 17.201 5.198 -9.315 1.00 55.13 H new HETATM 0 HD2 DLY A 11 15.605 4.782 -8.723 1.00 55.13 H new HETATM 0 HB3 DLY A 11 14.392 2.887 -9.684 1.00 61.32 H new HETATM 0 HB2 DLY A 11 15.745 1.789 -9.498 1.00 61.32 H new HETATM 0 HA DLY A 11 15.723 1.529 -12.020 1.00 41.13 H new HETATM 0 H DLY A 11 13.198 0.401 -11.302 1.00 41.52 H new HETATM 175 N DGL A 12 12.740 2.894 -11.632 1.00 75.01 N HETATM 176 CA DGL A 12 11.687 3.595 -12.314 1.00 51.01 C HETATM 177 C DGL A 12 10.530 2.633 -12.652 1.00 74.43 C HETATM 178 O DGL A 12 10.354 1.570 -12.006 1.00 22.41 O HETATM 179 CB DGL A 12 11.175 4.751 -11.438 1.00 21.24 C HETATM 180 CG DGL A 12 10.112 5.616 -12.095 1.00 31.05 C HETATM 181 CD DGL A 12 9.598 6.693 -11.193 1.00 43.50 C HETATM 182 OE1 DGL A 12 10.295 7.704 -10.988 1.00 64.02 O HETATM 183 OE2 DGL A 12 8.479 6.567 -10.692 1.00 25.12 O HETATM 0 HG3 DGL A 12 10.526 6.070 -12.995 1.00 31.05 H new HETATM 0 HG2 DGL A 12 9.281 4.985 -12.409 1.00 31.05 H new HETATM 0 HB3 DGL A 12 10.770 4.338 -10.514 1.00 21.24 H new HETATM 0 HB2 DGL A 12 12.019 5.382 -11.162 1.00 21.24 H new HETATM 0 HA DGL A 12 12.082 4.001 -13.245 1.00 51.01 H new HETATM 190 N DSG A 13 9.763 3.008 -13.660 1.00 53.11 N HETATM 191 CA DSG A 13 8.563 2.300 -14.087 1.00 73.34 C HETATM 192 C DSG A 13 7.624 2.014 -12.913 1.00 51.44 C HETATM 193 O DSG A 13 7.172 0.891 -12.755 1.00 50.44 O HETATM 194 CB DSG A 13 7.835 3.090 -15.210 1.00 31.33 C HETATM 195 CG DSG A 13 7.455 4.526 -14.826 1.00 13.32 C HETATM 196 OD1 DSG A 13 8.256 5.458 -14.970 1.00 3.23 O HETATM 197 ND2 DSG A 13 6.250 4.728 -14.362 1.00 52.33 N HETATM 0 HD22 DSG A 13 5.957 5.668 -14.095 1.00 52.33 H new HETATM 0 HD21 DSG A 13 5.602 3.946 -14.267 1.00 52.33 H new HETATM 0 HB3 DSG A 13 8.475 3.119 -16.091 1.00 31.33 H new HETATM 0 HB2 DSG A 13 6.931 2.550 -15.491 1.00 31.33 H new HETATM 0 HA DSG A 13 8.872 1.336 -14.490 1.00 73.34 H new HETATM 204 N DLY A 14 7.424 3.006 -12.049 1.00 33.21 N HETATM 205 CA DLY A 14 6.516 2.882 -10.910 1.00 55.43 C HETATM 206 C DLY A 14 7.136 1.937 -9.869 1.00 31.23 C HETATM 207 O DLY A 14 6.424 1.220 -9.164 1.00 15.51 O HETATM 208 CB DLY A 14 6.254 4.286 -10.321 1.00 23.43 C HETATM 209 CG DLY A 14 4.931 4.481 -9.556 1.00 4.45 C HETATM 210 CD DLY A 14 4.835 3.685 -8.269 1.00 31.44 C HETATM 211 CE DLY A 14 3.505 3.918 -7.568 1.00 52.10 C HETATM 212 NZ DLY A 14 3.351 5.317 -7.117 1.00 25.05 N HETATM 0 HZ2 DLY A 14 2.502 5.606 -6.632 1.00 25.05 H new HETATM 0 HZ1 DLY A 14 4.094 5.994 -7.291 1.00 25.05 H new HETATM 0 HG3 DLY A 14 4.810 5.539 -9.325 1.00 4.45 H new HETATM 0 HG2 DLY A 14 4.103 4.200 -10.207 1.00 4.45 H new HETATM 0 HE3 DLY A 14 2.690 3.664 -8.245 1.00 52.10 H new HETATM 0 HE2 DLY A 14 3.426 3.250 -6.710 1.00 52.10 H new HETATM 0 HD3 DLY A 14 4.952 2.623 -8.487 1.00 31.44 H new HETATM 0 HD2 DLY A 14 5.652 3.966 -7.604 1.00 31.44 H new HETATM 0 HB3 DLY A 14 7.075 4.531 -9.648 1.00 23.43 H new HETATM 0 HB2 DLY A 14 6.285 5.008 -11.137 1.00 23.43 H new HETATM 0 HA DLY A 14 5.561 2.459 -11.222 1.00 55.43 H new HETATM 226 N DAS A 15 8.480 1.905 -9.825 1.00 24.21 N HETATM 227 CA DAS A 15 9.203 1.004 -8.910 1.00 45.52 C HETATM 228 C DAS A 15 8.943 -0.401 -9.287 1.00 44.03 C HETATM 229 O DAS A 15 9.056 -1.280 -8.488 1.00 63.25 O HETATM 230 CB DAS A 15 10.719 1.193 -8.913 1.00 52.13 C HETATM 231 CG DAS A 15 11.185 2.483 -8.355 1.00 25.33 C HETATM 232 OD1 DAS A 15 10.577 2.990 -7.394 1.00 41.23 O HETATM 233 OD2 DAS A 15 12.223 2.980 -8.828 1.00 55.44 O HETATM 0 HB3 DAS A 15 11.173 0.382 -8.344 1.00 52.13 H new HETATM 0 HB2 DAS A 15 11.080 1.105 -9.938 1.00 52.13 H new HETATM 0 HA DAS A 15 8.833 1.249 -7.914 1.00 45.52 H new HETATM 238 N DCY A 16 8.659 -0.624 -10.519 1.00 42.42 N HETATM 239 CA DCY A 16 8.277 -1.933 -10.938 1.00 53.21 C HETATM 240 C DCY A 16 6.808 -2.138 -10.594 1.00 25.11 C HETATM 241 O DCY A 16 5.967 -1.363 -11.038 1.00 1.32 O HETATM 242 CB DCY A 16 8.503 -2.084 -12.437 1.00 41.23 C HETATM 243 SG DCY A 16 7.885 -3.644 -13.145 1.00 0.11 S HETATM 0 HB3 DCY A 16 8.020 -1.252 -12.949 1.00 41.23 H new HETATM 0 HB2 DCY A 16 9.571 -2.007 -12.639 1.00 41.23 H new HETATM 0 HA DCY A 16 8.880 -2.684 -10.428 1.00 53.21 H new HETATM 248 N DCY A 17 6.489 -3.168 -9.802 1.00 32.35 N HETATM 249 CA DCY A 17 5.084 -3.447 -9.448 1.00 22.52 C HETATM 250 C DCY A 17 4.253 -3.712 -10.705 1.00 64.11 C HETATM 251 O DCY A 17 3.071 -3.405 -10.756 1.00 21.34 O HETATM 252 CB DCY A 17 4.949 -4.642 -8.487 1.00 25.14 C HETATM 253 SG DCY A 17 5.755 -4.462 -6.854 1.00 20.11 S HETATM 0 HB3 DCY A 17 3.888 -4.834 -8.326 1.00 25.14 H new HETATM 0 HB2 DCY A 17 5.362 -5.524 -8.977 1.00 25.14 H new HETATM 0 HA DCY A 17 4.709 -2.560 -8.938 1.00 22.52 H new HETATM 258 N DSN A 18 4.890 -4.245 -11.730 1.00 3.42 N HETATM 259 CA DSN A 18 4.213 -4.544 -12.972 1.00 15.41 C HETATM 260 C DSN A 18 4.209 -3.307 -13.895 1.00 21.53 C HETATM 261 O DSN A 18 3.506 -3.277 -14.894 1.00 33.24 O HETATM 262 CB DSN A 18 4.965 -5.671 -13.669 1.00 35.25 C HETATM 263 OG DSN A 18 5.298 -6.708 -12.756 1.00 20.53 O HETATM 0 HG DSN A 18 5.803 -7.406 -13.224 1.00 20.53 H new HETATM 0 HB3 DSN A 18 4.353 -6.075 -14.476 1.00 35.25 H new HETATM 0 HB2 DSN A 18 5.874 -5.278 -14.124 1.00 35.25 H new HETATM 0 HA DSN A 18 3.183 -4.832 -12.761 1.00 15.41 H new HETATM 269 N DLY A 19 5.008 -2.289 -13.527 1.00 72.32 N HETATM 270 CA DLY A 19 5.275 -1.075 -14.346 1.00 64.10 C HETATM 271 C DLY A 19 6.106 -1.375 -15.597 1.00 14.23 C HETATM 272 O DLY A 19 6.484 -0.478 -16.344 1.00 61.10 O HETATM 273 CB DLY A 19 4.021 -0.226 -14.668 1.00 24.31 C HETATM 274 CG DLY A 19 3.587 0.723 -13.541 1.00 75.12 C HETATM 275 CD DLY A 19 3.108 0.004 -12.282 1.00 25.33 C HETATM 276 CE DLY A 19 1.787 -0.732 -12.493 1.00 43.34 C HETATM 277 NZ DLY A 19 1.322 -1.388 -11.251 1.00 70.53 N HETATM 0 HZ2 DLY A 19 0.450 -1.917 -11.249 1.00 70.53 H new HETATM 0 HZ1 DLY A 19 1.874 -1.312 -10.397 1.00 70.53 H new HETATM 0 HG3 DLY A 19 4.424 1.371 -13.282 1.00 75.12 H new HETATM 0 HG2 DLY A 19 2.787 1.366 -13.908 1.00 75.12 H new HETATM 0 HE3 DLY A 19 1.030 -0.028 -12.839 1.00 43.34 H new HETATM 0 HE2 DLY A 19 1.908 -1.480 -13.276 1.00 43.34 H new HETATM 0 HD3 DLY A 19 3.869 -0.708 -11.963 1.00 25.33 H new HETATM 0 HD2 DLY A 19 2.991 0.729 -11.476 1.00 25.33 H new HETATM 0 HB3 DLY A 19 4.216 0.361 -15.565 1.00 24.31 H new HETATM 0 HB2 DLY A 19 3.194 -0.897 -14.900 1.00 24.31 H new HETATM 0 HA DLY A 19 5.884 -0.444 -13.699 1.00 64.10 H new HETATM 291 N DLY A 20 6.456 -2.630 -15.760 1.00 12.11 N HETATM 292 CA DLY A 20 7.227 -3.100 -16.889 1.00 72.33 C HETATM 293 C DLY A 20 8.709 -3.083 -16.518 1.00 4.30 C HETATM 294 O DLY A 20 9.370 -4.121 -16.467 1.00 13.23 O HETATM 295 CB DLY A 20 6.794 -4.522 -17.250 1.00 62.12 C HETATM 296 CG DLY A 20 5.299 -4.667 -17.509 1.00 12.20 C HETATM 297 CD DLY A 20 4.911 -6.121 -17.733 1.00 11.52 C HETATM 298 CE DLY A 20 5.459 -6.677 -19.040 1.00 1.14 C HETATM 299 NZ DLY A 20 4.798 -6.072 -20.214 1.00 2.24 N HETATM 0 HZ2 DLY A 20 5.071 -6.355 -21.155 1.00 2.24 H new HETATM 0 HZ1 DLY A 20 4.069 -5.371 -20.084 1.00 2.24 H new HETATM 0 HG3 DLY A 20 4.741 -4.267 -16.662 1.00 12.20 H new HETATM 0 HG2 DLY A 20 5.021 -4.076 -18.382 1.00 12.20 H new HETATM 0 HE3 DLY A 20 6.532 -6.492 -19.092 1.00 1.14 H new HETATM 0 HE2 DLY A 20 5.320 -7.758 -19.062 1.00 1.14 H new HETATM 0 HD3 DLY A 20 5.279 -6.724 -16.903 1.00 11.52 H new HETATM 0 HD2 DLY A 20 3.824 -6.208 -17.732 1.00 11.52 H new HETATM 0 HB3 DLY A 20 7.339 -4.843 -18.138 1.00 62.12 H new HETATM 0 HB2 DLY A 20 7.079 -5.194 -16.441 1.00 62.12 H new HETATM 0 HA DLY A 20 7.059 -2.452 -17.749 1.00 72.33 H new HETATM 313 N DCY A 21 9.194 -1.913 -16.212 1.00 42.01 N HETATM 314 CA DCY A 21 10.568 -1.726 -15.803 1.00 44.12 C HETATM 315 C DCY A 21 11.410 -1.530 -17.048 1.00 10.31 C HETATM 316 O DCY A 21 11.367 -0.469 -17.671 1.00 64.32 O HETATM 317 CB DCY A 21 10.662 -0.500 -14.876 1.00 24.11 C HETATM 318 SG DCY A 21 12.289 -0.182 -14.107 1.00 2.22 S HETATM 0 HB3 DCY A 21 10.377 0.383 -15.448 1.00 24.11 H new HETATM 0 HB2 DCY A 21 9.926 -0.616 -14.081 1.00 24.11 H new HETATM 0 HA DCY A 21 10.932 -2.595 -15.255 1.00 44.12 H new HETATM 323 N DLY A 22 12.115 -2.561 -17.445 1.00 72.54 N HETATM 324 CA DLY A 22 12.912 -2.524 -18.653 1.00 1.25 C HETATM 325 C DLY A 22 14.263 -3.159 -18.408 1.00 33.33 C HETATM 326 O DLY A 22 14.368 -4.155 -17.685 1.00 55.25 O HETATM 327 CB DLY A 22 12.195 -3.251 -19.803 1.00 73.25 C HETATM 328 CG DLY A 22 10.876 -2.613 -20.242 1.00 61.30 C HETATM 329 CD DLY A 22 10.296 -3.300 -21.470 1.00 24.22 C HETATM 330 CE DLY A 22 9.966 -4.757 -21.207 1.00 71.20 C HETATM 331 NZ DLY A 22 9.496 -5.444 -22.423 1.00 54.22 N HETATM 0 HZ2 DLY A 22 9.240 -6.431 -22.385 1.00 54.22 H new HETATM 0 HZ1 DLY A 22 9.427 -4.933 -23.303 1.00 54.22 H new HETATM 0 HG3 DLY A 22 10.158 -2.664 -19.424 1.00 61.30 H new HETATM 0 HG2 DLY A 22 11.038 -1.557 -20.459 1.00 61.30 H new HETATM 0 HE3 DLY A 22 10.850 -5.265 -20.822 1.00 71.20 H new HETATM 0 HE2 DLY A 22 9.200 -4.822 -20.435 1.00 71.20 H new HETATM 0 HD3 DLY A 22 9.394 -2.776 -21.786 1.00 24.22 H new HETATM 0 HD2 DLY A 22 11.008 -3.233 -22.293 1.00 24.22 H new HETATM 0 HB3 DLY A 22 12.865 -3.293 -20.661 1.00 73.25 H new HETATM 0 HB2 DLY A 22 12.001 -4.280 -19.499 1.00 73.25 H new HETATM 0 HA DLY A 22 13.053 -1.481 -18.936 1.00 1.25 H new HETATM 0 H DLY A 22 12.496 -2.978 -16.595 1.00 72.54 H new HETATM 345 N DAR A 23 15.286 -2.595 -18.991 1.00 1.24 N HETATM 346 CA DAR A 23 16.631 -3.112 -18.838 1.00 62.34 C HETATM 347 CB DAR A 23 17.654 -1.975 -18.817 1.00 23.13 C HETATM 348 CG DAR A 23 19.104 -2.431 -18.747 1.00 44.01 C HETATM 349 CD DAR A 23 20.032 -1.258 -18.526 1.00 55.21 C HETATM 350 NE DAR A 23 19.771 -0.603 -17.237 1.00 13.13 N HETATM 351 CZ DAR A 23 19.957 0.699 -16.974 1.00 45.12 C HETATM 352 NH1 DAR A 23 20.372 1.531 -17.928 1.00 63.20 N HETATM 353 NH2 DAR A 23 19.718 1.165 -15.758 1.00 53.45 N HETATM 354 C DAR A 23 16.951 -4.101 -19.930 1.00 50.42 C HETATM 355 O DAR A 23 17.557 -5.134 -19.671 1.00 53.23 O HETATM 0 HH22 DAR A 23 19.858 2.155 -15.554 1.00 53.45 H new HETATM 0 HH21 DAR A 23 19.394 0.534 -15.025 1.00 53.45 H new HETATM 0 HH12 DAR A 23 20.510 2.519 -17.718 1.00 63.20 H new HETATM 0 HH11 DAR A 23 20.551 1.180 -18.869 1.00 63.20 H new HETATM 0 HG3 DAR A 23 19.224 -3.151 -17.938 1.00 44.01 H new HETATM 0 HG2 DAR A 23 19.373 -2.943 -19.671 1.00 44.01 H new HETATM 0 HE DAR A 23 19.419 -1.187 -16.479 1.00 13.13 H new HETATM 0 HD3 DAR A 23 21.067 -1.599 -18.559 1.00 55.21 H new HETATM 0 HD2 DAR A 23 19.908 -0.537 -19.334 1.00 55.21 H new HETATM 0 HB3 DAR A 23 17.521 -1.367 -19.712 1.00 23.13 H new HETATM 0 HB2 DAR A 23 17.447 -1.333 -17.961 1.00 23.13 H new HETATM 0 HA DAR A 23 16.686 -3.632 -17.882 1.00 62.34 H new HETATM 0 H DAR A 23 15.132 -1.590 -19.068 1.00 1.24 H new HETATM 369 N DAR A 24 16.510 -3.795 -21.139 1.00 32.31 N HETATM 370 CA DAR A 24 16.778 -4.642 -22.285 1.00 74.34 C HETATM 371 CB DAR A 24 16.337 -4.009 -23.625 1.00 44.41 C HETATM 372 CG DAR A 24 17.266 -2.916 -24.176 1.00 44.12 C HETATM 373 CD DAR A 24 17.313 -1.662 -23.312 1.00 64.32 C HETATM 374 NE DAR A 24 18.263 -0.670 -23.837 1.00 44.43 N HETATM 375 CZ DAR A 24 18.110 0.672 -23.762 1.00 13.24 C HETATM 376 NH1 DAR A 24 17.027 1.197 -23.197 1.00 33.13 N HETATM 377 NH2 DAR A 24 19.039 1.479 -24.261 1.00 2.14 N HETATM 378 C DAR A 24 16.163 -6.005 -22.102 1.00 54.55 C HETATM 379 O DAR A 24 14.939 -6.150 -21.999 1.00 64.32 O HETATM 0 HH22 DAR A 24 18.921 2.490 -24.203 1.00 2.14 H new HETATM 0 HH21 DAR A 24 19.871 1.087 -24.702 1.00 2.14 H new HETATM 0 HH12 DAR A 24 16.919 2.210 -23.144 1.00 33.13 H new HETATM 0 HH11 DAR A 24 16.304 0.587 -22.816 1.00 33.13 H new HETATM 0 HG3 DAR A 24 18.274 -3.321 -24.269 1.00 44.12 H new HETATM 0 HG2 DAR A 24 16.938 -2.644 -25.179 1.00 44.12 H new HETATM 0 HE DAR A 24 19.104 -1.022 -24.294 1.00 44.43 H new HETATM 0 HD3 DAR A 24 16.318 -1.220 -23.260 1.00 64.32 H new HETATM 0 HD2 DAR A 24 17.596 -1.932 -22.295 1.00 64.32 H new HETATM 0 HB3 DAR A 24 16.253 -4.800 -24.370 1.00 44.41 H new HETATM 0 HB2 DAR A 24 15.341 -3.585 -23.496 1.00 44.41 H new HETATM 0 HA DAR A 24 17.861 -4.751 -22.341 1.00 74.34 H new HETATM 0 H DAR A 24 16.072 -2.883 -21.270 1.00 32.31 H new ATOM 393 N GLY A 25 17.007 -6.977 -22.011 1.00 4.35 N ATOM 394 CA GLY A 25 16.593 -8.310 -21.824 1.00 52.41 C ATOM 395 C GLY A 25 17.782 -9.189 -21.651 1.00 44.21 C ATOM 396 O GLY A 25 18.809 -8.968 -22.299 1.00 34.24 O ATOM 0 H GLY A 25 18.018 -6.857 -22.066 1.00 4.35 H new ATOM 0 HA2 GLY A 25 15.947 -8.380 -20.949 1.00 52.41 H new ATOM 0 HA3 GLY A 25 16.006 -8.641 -22.681 1.00 52.41 H new HETATM 400 N DTH A 26 17.666 -10.157 -20.789 1.00 54.25 N HETATM 401 CA DTH A 26 18.729 -11.077 -20.505 1.00 32.43 C HETATM 402 CB DTH A 26 18.129 -12.296 -19.751 1.00 3.22 C HETATM 403 CG2 DTH A 26 19.206 -13.256 -19.257 1.00 31.42 C HETATM 404 OG1 DTH A 26 17.331 -11.830 -18.637 1.00 33.30 O HETATM 405 C DTH A 26 19.850 -10.380 -19.693 1.00 45.52 C HETATM 406 O DTH A 26 21.010 -10.329 -20.119 1.00 45.52 O HETATM 0 HG23 DTH A 26 19.776 -13.631 -20.107 1.00 31.42 H new HETATM 0 HG22 DTH A 26 19.875 -12.732 -18.574 1.00 31.42 H new HETATM 0 HG21 DTH A 26 18.738 -14.091 -18.737 1.00 31.42 H new HETATM 0 HG1 DTH A 26 16.951 -12.599 -18.162 1.00 33.30 H new HETATM 0 HB DTH A 26 17.504 -12.847 -20.454 1.00 3.22 H new HETATM 0 HA DTH A 26 19.189 -11.426 -21.429 1.00 32.43 H new HETATM 0 H DTH A 26 16.713 -10.373 -20.496 1.00 54.25 H new HETATM 414 N DSG A 27 19.478 -9.820 -18.561 1.00 23.54 N HETATM 415 CA DSG A 27 20.413 -9.121 -17.681 1.00 14.53 C HETATM 416 C DSG A 27 20.573 -7.689 -18.124 1.00 0.34 C HETATM 417 O DSG A 27 19.667 -7.116 -18.719 1.00 22.02 O HETATM 418 CB DSG A 27 19.920 -9.108 -16.221 1.00 21.04 C HETATM 419 CG DSG A 27 19.881 -10.464 -15.530 1.00 33.51 C HETATM 420 OD1 DSG A 27 19.680 -11.507 -16.152 1.00 62.42 O HETATM 421 ND2 DSG A 27 20.063 -10.464 -14.237 1.00 74.24 N HETATM 0 HD22 DSG A 27 20.047 -11.343 -13.720 1.00 74.24 H new HETATM 0 HD21 DSG A 27 20.221 -9.585 -13.744 1.00 74.24 H new HETATM 0 HB3 DSG A 27 20.564 -8.444 -15.644 1.00 21.04 H new HETATM 0 HB2 DSG A 27 18.918 -8.679 -16.198 1.00 21.04 H new HETATM 0 HA DSG A 27 21.362 -9.655 -17.738 1.00 14.53 H new HETATM 428 N DIL A 28 21.702 -7.096 -17.791 1.00 41.24 N HETATM 429 CA DIL A 28 21.983 -5.691 -18.126 1.00 11.20 C HETATM 430 C DIL A 28 21.436 -4.760 -17.011 1.00 64.32 C HETATM 431 O DIL A 28 21.704 -3.552 -16.965 1.00 50.21 O HETATM 432 CB DIL A 28 23.525 -5.441 -18.375 1.00 24.33 C HETATM 433 CG1 DIL A 28 24.382 -5.425 -17.071 1.00 24.24 C HETATM 434 CG2 DIL A 28 23.769 -4.190 -19.210 1.00 22.20 C HETATM 435 CD1 DIL A 28 24.482 -6.747 -16.334 1.00 43.03 C HETATM 0 HG23 DIL A 28 23.280 -4.298 -20.178 1.00 22.20 H new HETATM 0 HG22 DIL A 28 23.362 -3.322 -18.692 1.00 22.20 H new HETATM 0 HG21 DIL A 28 24.840 -4.055 -19.358 1.00 22.20 H new HETATM 0 HG13 DIL A 28 25.389 -5.094 -17.324 1.00 24.24 H new HETATM 0 HG12 DIL A 28 23.963 -4.682 -16.392 1.00 24.24 H new HETATM 0 HD13 DIL A 28 23.485 -7.076 -16.040 1.00 43.03 H new HETATM 0 HD12 DIL A 28 24.933 -7.494 -16.987 1.00 43.03 H new HETATM 0 HD11 DIL A 28 25.100 -6.622 -15.445 1.00 43.03 H new HETATM 0 HB DIL A 28 23.866 -6.305 -18.946 1.00 24.33 H new HETATM 0 HA DIL A 28 21.472 -5.458 -19.060 1.00 11.20 H new HETATM 447 N DGL A 29 20.650 -5.333 -16.146 1.00 63.11 N HETATM 448 CA DGL A 29 20.034 -4.616 -15.056 1.00 72.44 C HETATM 449 C DGL A 29 18.687 -4.097 -15.507 1.00 44.43 C HETATM 450 O DGL A 29 18.072 -4.662 -16.409 1.00 53.15 O HETATM 451 CB DGL A 29 19.821 -5.553 -13.872 1.00 72.33 C HETATM 452 CG DGL A 29 21.088 -6.153 -13.309 1.00 42.23 C HETATM 453 CD DGL A 29 20.799 -7.175 -12.245 1.00 74.11 C HETATM 454 OE1 DGL A 29 20.732 -8.376 -12.573 1.00 54.21 O HETATM 455 OE2 DGL A 29 20.621 -6.806 -11.066 1.00 71.45 O HETATM 0 HG3 DGL A 29 21.658 -6.618 -14.113 1.00 42.23 H new HETATM 0 HG2 DGL A 29 21.711 -5.361 -12.893 1.00 42.23 H new HETATM 0 HE2 DGL A 29 20.433 -7.586 -10.504 1.00 71.45 H new HETATM 0 HB3 DGL A 29 19.310 -5.006 -13.080 1.00 72.33 H new HETATM 0 HB2 DGL A 29 19.157 -6.361 -14.180 1.00 72.33 H new HETATM 0 HA DGL A 29 20.682 -3.791 -14.758 1.00 72.44 H new HETATM 462 N DLY A 30 18.243 -3.030 -14.907 1.00 41.14 N HETATM 463 CA DLY A 30 16.924 -2.507 -15.169 1.00 2.21 C HETATM 464 C DLY A 30 15.996 -3.404 -14.371 1.00 11.33 C HETATM 465 O DLY A 30 16.099 -3.436 -13.156 1.00 64.31 O HETATM 466 CB DLY A 30 16.856 -1.054 -14.656 1.00 62.05 C HETATM 467 CG DLY A 30 15.606 -0.268 -15.014 1.00 12.02 C HETATM 468 CD DLY A 30 15.523 0.018 -16.503 1.00 50.51 C HETATM 469 CE DLY A 30 14.315 0.879 -16.844 1.00 42.03 C HETATM 470 NZ DLY A 30 14.350 2.201 -16.173 1.00 44.14 N HETATM 0 HZ2 DLY A 30 13.594 2.869 -16.323 1.00 44.14 H new HETATM 0 HZ1 DLY A 30 15.130 2.442 -15.562 1.00 44.14 H new HETATM 0 HG3 DLY A 30 14.724 -0.827 -14.702 1.00 12.02 H new HETATM 0 HG2 DLY A 30 15.598 0.672 -14.463 1.00 12.02 H new HETATM 0 HE3 DLY A 30 14.270 1.024 -17.923 1.00 42.03 H new HETATM 0 HE2 DLY A 30 13.405 0.353 -16.555 1.00 42.03 H new HETATM 0 HD3 DLY A 30 16.433 0.522 -16.828 1.00 50.51 H new HETATM 0 HD2 DLY A 30 15.466 -0.922 -17.052 1.00 50.51 H new HETATM 0 HB3 DLY A 30 16.950 -1.071 -13.570 1.00 62.05 H new HETATM 0 HB2 DLY A 30 17.721 -0.515 -15.042 1.00 62.05 H new HETATM 0 HA DLY A 30 16.661 -2.495 -16.227 1.00 2.21 H new HETATM 484 N DAR A 31 15.166 -4.193 -15.025 1.00 53.41 N HETATM 485 CA DAR A 31 14.374 -5.154 -14.284 1.00 14.02 C HETATM 486 CB DAR A 31 14.754 -6.604 -14.610 1.00 42.33 C HETATM 487 CG DAR A 31 16.238 -6.898 -14.573 1.00 32.15 C HETATM 488 CD DAR A 31 16.510 -8.380 -14.699 1.00 51.43 C HETATM 489 NE DAR A 31 16.191 -9.108 -13.462 1.00 54.01 N HETATM 490 CZ DAR A 31 15.716 -10.358 -13.392 1.00 52.31 C HETATM 491 NH1 DAR A 31 15.247 -10.968 -14.487 1.00 51.01 N HETATM 492 NH2 DAR A 31 15.680 -10.982 -12.216 1.00 70.51 N HETATM 493 C DAR A 31 12.898 -4.988 -14.504 1.00 10.14 C HETATM 494 O DAR A 31 12.427 -4.698 -15.619 1.00 21.01 O HETATM 0 HH22 DAR A 31 15.320 -11.934 -12.155 1.00 70.51 H new HETATM 0 HH21 DAR A 31 16.013 -10.508 -11.377 1.00 70.51 H new HETATM 0 HH12 DAR A 31 14.887 -11.920 -14.426 1.00 51.01 H new HETATM 0 HH11 DAR A 31 15.250 -10.481 -15.383 1.00 51.01 H new HETATM 0 HG3 DAR A 31 16.736 -6.365 -15.383 1.00 32.15 H new HETATM 0 HG2 DAR A 31 16.661 -6.527 -13.639 1.00 32.15 H new HETATM 0 HE DAR A 31 16.345 -8.618 -12.581 1.00 54.01 H new HETATM 0 HD3 DAR A 31 15.921 -8.788 -15.521 1.00 51.43 H new HETATM 0 HD2 DAR A 31 17.559 -8.536 -14.950 1.00 51.43 H new HETATM 0 HB3 DAR A 31 14.250 -7.264 -13.904 1.00 42.33 H new HETATM 0 HB2 DAR A 31 14.374 -6.849 -15.602 1.00 42.33 H new HETATM 0 HA DAR A 31 14.601 -4.948 -13.238 1.00 14.02 H new HETATM 508 N DCY A 32 12.193 -5.166 -13.440 1.00 41.31 N HETATM 509 CA DCY A 32 10.783 -5.198 -13.421 1.00 41.04 C HETATM 510 C DCY A 32 10.416 -6.564 -13.877 1.00 12.32 C HETATM 511 O DCY A 32 11.028 -7.529 -13.442 1.00 72.31 O HETATM 512 CB DCY A 32 10.281 -5.007 -11.983 1.00 72.31 C HETATM 513 SG DCY A 32 8.467 -5.037 -11.820 1.00 21.33 S HETATM 0 HB3 DCY A 32 10.705 -5.790 -11.354 1.00 72.31 H new HETATM 0 HB2 DCY A 32 10.654 -4.056 -11.602 1.00 72.31 H new HETATM 0 HA DCY A 32 10.352 -4.416 -14.046 1.00 41.04 H new HETATM 518 N DAR A 33 9.499 -6.673 -14.765 1.00 15.34 N HETATM 519 CA DAR A 33 9.116 -7.956 -15.235 1.00 13.34 C HETATM 520 CB DAR A 33 9.810 -8.254 -16.581 1.00 13.44 C HETATM 521 CG DAR A 33 9.559 -7.234 -17.681 1.00 35.25 C HETATM 522 CD DAR A 33 10.560 -7.389 -18.807 1.00 61.04 C HETATM 523 NE DAR A 33 11.905 -6.899 -18.424 1.00 70.33 N HETATM 524 CZ DAR A 33 13.070 -7.386 -18.892 1.00 21.01 C HETATM 525 NH1 DAR A 33 13.085 -8.514 -19.601 1.00 30.03 N HETATM 526 NH2 DAR A 33 14.219 -6.764 -18.606 1.00 55.54 N HETATM 527 C DAR A 33 7.606 -8.074 -15.258 1.00 41.43 C HETATM 528 O DAR A 33 7.019 -8.201 -14.166 1.00 52.01 O HETATM 529 OXT DAR A 33 6.990 -8.056 -16.316 1.00 0.00 O HETATM 0 HH22 DAR A 33 15.101 -7.134 -18.961 1.00 55.54 H new HETATM 0 HH21 DAR A 33 14.213 -5.920 -18.033 1.00 55.54 H new HETATM 0 HH12 DAR A 33 13.968 -8.882 -19.955 1.00 30.03 H new HETATM 0 HH11 DAR A 33 12.214 -9.009 -19.790 1.00 30.03 H new HETATM 0 HG3 DAR A 33 8.548 -7.355 -18.070 1.00 35.25 H new HETATM 0 HG2 DAR A 33 9.623 -6.227 -17.269 1.00 35.25 H new HETATM 0 HE DAR A 33 11.952 -6.132 -17.753 1.00 70.33 H new HETATM 0 HD3 DAR A 33 10.624 -8.439 -19.093 1.00 61.04 H new HETATM 0 HD2 DAR A 33 10.210 -6.841 -19.682 1.00 61.04 H new HETATM 0 HB3 DAR A 33 10.884 -8.322 -16.410 1.00 13.44 H new HETATM 0 HB2 DAR A 33 9.480 -9.232 -16.932 1.00 13.44 H new HETATM 0 HA DAR A 33 9.457 -8.734 -14.552 1.00 13.34 H new TER 543 DAR A 33