USER MOD reduce.3.24.130724 H: found=0, std=0, add=254, 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 HD2 : A 2 DAS OD2 : A 2 DAS CG :(short bond) USER MOD NoAdj-H: A 2 DAS H2 : A 2 DAS N : A 1 GLY C :(H bumps) USER MOD NoAdj-H: A 2 DAS H : A 2 DAS N : A 1 GLY C :(H bumps) USER MOD NoAdj-H: A 3 DCY H2 : A 3 DCY N : A 2 DAS C :(H bumps) USER MOD NoAdj-H: A 3 DCY H : A 3 DCY N : A 2 DAS C :(H bumps) USER MOD NoAdj-H: A 4 DLE H2 : A 4 DLE N : A 3 DCY C :(H bumps) USER MOD NoAdj-H: A 5 DPR H : A 5 DPR N : A 4 DLE C :(H bumps) USER MOD NoAdj-H: A 6 DHI H2 : A 6 DHI N : A 5 DPR C :(H bumps) USER MOD NoAdj-H: A 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 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 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 28 DIL H2 : 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+ -127:sc= 0.141 (180deg=0) USER MOD Single : A 12 DGL OE2 : rot 166:sc= -0.496 USER MOD Single : A 18 DSN OG : rot -174:sc= 1.27 USER MOD Single : A 26 DTH OG1 : rot 180:sc= 0 USER MOD Single : A 29 DGL OE2 : rot 166:sc= 0.167 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.694 -1.229 -1.249 1.00 41.03 N ATOM 2 CA GLY A 1 1.106 -2.621 -1.118 1.00 64.24 C ATOM 3 C GLY A 1 2.600 -2.735 -1.119 1.00 63.32 C ATOM 4 O GLY A 1 3.295 -1.709 -1.036 1.00 11.35 O ATOM 0 H1 GLY A 1 0.036 -0.988 -0.480 1.00 41.03 H new ATOM 0 H2 GLY A 1 1.530 -0.613 -1.195 1.00 41.03 H new ATOM 0 H3 GLY A 1 0.221 -1.092 -2.165 1.00 41.03 H new ATOM 0 HA2 GLY A 1 0.705 -3.038 -0.194 1.00 64.24 H new ATOM 0 HA3 GLY A 1 0.691 -3.207 -1.938 1.00 64.24 H new HETATM 10 N DAS A 2 3.087 -3.972 -1.211 1.00 43.41 N HETATM 11 CA DAS A 2 4.519 -4.311 -1.229 1.00 60.13 C HETATM 12 C DAS A 2 5.221 -3.696 -2.429 1.00 4.43 C HETATM 13 O DAS A 2 5.681 -2.544 -2.408 1.00 12.24 O HETATM 14 CB DAS A 2 5.237 -3.983 0.083 1.00 43.34 C HETATM 15 CG DAS A 2 6.683 -4.424 0.064 1.00 10.43 C HETATM 16 OD1 DAS A 2 7.587 -3.568 0.072 1.00 24.15 O HETATM 17 OD2 DAS A 2 6.947 -5.641 0.029 1.00 21.53 O HETATM 0 HB3 DAS A 2 5.188 -2.909 0.264 1.00 43.34 H new HETATM 0 HB2 DAS A 2 4.721 -4.470 0.910 1.00 43.34 H new HETATM 0 HA DAS A 2 4.573 -5.395 -1.331 1.00 60.13 H new HETATM 22 N DCY A 3 5.266 -4.441 -3.473 1.00 51.41 N HETATM 23 CA DCY A 3 5.831 -3.992 -4.707 1.00 4.43 C HETATM 24 C DCY A 3 6.893 -4.958 -5.209 1.00 34.21 C HETATM 25 O DCY A 3 6.927 -6.129 -4.788 1.00 32.22 O HETATM 26 CB DCY A 3 4.705 -3.777 -5.748 1.00 63.41 C HETATM 27 SG DCY A 3 3.534 -5.180 -5.955 1.00 62.11 S HETATM 0 HB3 DCY A 3 4.136 -2.892 -5.464 1.00 63.41 H new HETATM 0 HB2 DCY A 3 5.164 -3.565 -6.714 1.00 63.41 H new HETATM 0 HA DCY A 3 6.331 -3.037 -4.543 1.00 4.43 H new HETATM 32 N DLE A 4 7.776 -4.457 -6.060 1.00 33.44 N HETATM 33 CA DLE A 4 8.810 -5.269 -6.705 1.00 52.25 C HETATM 34 CB DLE A 4 9.847 -4.370 -7.431 1.00 52.33 C HETATM 35 CG DLE A 4 10.862 -3.556 -6.574 1.00 13.54 C HETATM 36 CD1 DLE A 4 11.667 -2.625 -7.454 1.00 4.03 C HETATM 37 CD2 DLE A 4 10.206 -2.758 -5.470 1.00 52.01 C HETATM 38 C DLE A 4 8.092 -6.174 -7.703 1.00 73.40 C HETATM 39 O DLE A 4 7.464 -5.676 -8.620 1.00 31.20 O HETATM 0 HD23 DLE A 4 9.500 -2.050 -5.903 1.00 52.01 H new HETATM 0 HD22 DLE A 4 9.676 -3.433 -4.798 1.00 52.01 H new HETATM 0 HD21 DLE A 4 10.968 -2.215 -4.912 1.00 52.01 H new HETATM 0 HD13 DLE A 4 12.215 -3.208 -8.195 1.00 4.03 H new HETATM 0 HD12 DLE A 4 10.995 -1.933 -7.961 1.00 4.03 H new HETATM 0 HD11 DLE A 4 12.372 -2.063 -6.841 1.00 4.03 H new HETATM 0 HG DLE A 4 11.515 -4.289 -6.100 1.00 13.54 H new HETATM 0 HB3 DLE A 4 10.420 -5.005 -8.106 1.00 52.33 H new HETATM 0 HB2 DLE A 4 9.295 -3.663 -8.050 1.00 52.33 H new HETATM 0 HA DLE A 4 9.360 -5.854 -5.968 1.00 52.25 H new HETATM 0 H DLE A 4 7.809 -3.440 -6.129 1.00 33.44 H new HETATM 51 N DPR A 5 8.181 -7.497 -7.570 1.00 33.24 N HETATM 52 CA DPR A 5 7.284 -8.410 -8.279 1.00 62.41 C HETATM 53 CB DPR A 5 7.492 -9.765 -7.567 1.00 3.34 C HETATM 54 CG DPR A 5 8.466 -9.498 -6.454 1.00 51.14 C HETATM 55 CD DPR A 5 9.185 -8.229 -6.799 1.00 42.23 C HETATM 56 C DPR A 5 7.508 -8.518 -9.800 1.00 15.02 C HETATM 57 O DPR A 5 6.877 -7.794 -10.597 1.00 3.52 O HETATM 0 HG3 DPR A 5 7.946 -9.400 -5.501 1.00 51.14 H new HETATM 0 HG2 DPR A 5 9.169 -10.324 -6.350 1.00 51.14 H new HETATM 0 HD3 DPR A 5 10.086 -8.419 -7.382 1.00 42.23 H new HETATM 0 HD2 DPR A 5 9.492 -7.681 -5.908 1.00 42.23 H new HETATM 0 HB3 DPR A 5 6.550 -10.151 -7.178 1.00 3.34 H new HETATM 0 HB2 DPR A 5 7.882 -10.513 -8.257 1.00 3.34 H new HETATM 0 HA DPR A 5 6.260 -8.039 -8.232 1.00 62.41 H new HETATM 65 N DHI A 6 8.408 -9.389 -10.184 1.00 34.01 N HETATM 66 CA DHI A 6 8.715 -9.674 -11.557 1.00 50.21 C HETATM 67 C DHI A 6 9.995 -10.439 -11.534 1.00 22.32 C HETATM 68 O DHI A 6 10.233 -11.167 -10.572 1.00 3.11 O HETATM 69 CB DHI A 6 7.588 -10.494 -12.257 1.00 2.44 C HETATM 70 CG DHI A 6 7.353 -11.888 -11.713 1.00 42.03 C HETATM 71 ND1 DHI A 6 7.685 -13.034 -12.401 1.00 63.42 N HETATM 72 CD2 DHI A 6 6.812 -12.305 -10.547 1.00 63.13 C HETATM 73 CE1 DHI A 6 7.361 -14.083 -11.679 1.00 74.14 C HETATM 74 NE2 DHI A 6 6.833 -13.668 -10.555 1.00 1.25 N HETATM 0 HE2 DHI A 6 6.492 -14.269 -9.805 1.00 1.25 H new HETATM 0 HE1 DHI A 6 7.507 -15.124 -11.967 1.00 74.14 H new HETATM 0 HD2 DHI A 6 6.430 -11.669 -9.748 1.00 63.13 H new HETATM 0 HD1 DHI A 6 8.115 -13.064 -13.326 1.00 63.42 H new HETATM 0 HB3 DHI A 6 6.656 -9.933 -12.182 1.00 2.44 H new HETATM 0 HB2 DHI A 6 7.828 -10.574 -13.317 1.00 2.44 H new HETATM 0 HA DHI A 6 8.801 -8.752 -12.131 1.00 50.21 H new HETATM 0 H DHI A 6 9.033 -9.709 -9.445 1.00 34.01 H new HETATM 83 N DLE A 7 10.835 -10.225 -12.532 1.00 43.32 N HETATM 84 CA DLE A 7 12.164 -10.841 -12.615 1.00 15.40 C HETATM 85 CB DLE A 7 12.073 -12.368 -12.681 1.00 2.24 C HETATM 86 CG DLE A 7 11.415 -12.925 -13.939 1.00 32.51 C HETATM 87 CD1 DLE A 7 12.254 -12.616 -15.171 1.00 12.13 C HETATM 88 CD2 DLE A 7 11.181 -14.409 -13.808 1.00 34.32 C HETATM 89 C DLE A 7 13.003 -10.373 -11.443 1.00 62.34 C HETATM 90 O DLE A 7 13.914 -11.050 -10.981 1.00 54.52 O HETATM 0 HD23 DLE A 7 12.134 -14.916 -13.656 1.00 34.32 H new HETATM 0 HD22 DLE A 7 10.529 -14.601 -12.956 1.00 34.32 H new HETATM 0 HD21 DLE A 7 10.711 -14.785 -14.717 1.00 34.32 H new HETATM 0 HD13 DLE A 7 12.359 -11.536 -15.279 1.00 12.13 H new HETATM 0 HD12 DLE A 7 13.240 -13.067 -15.062 1.00 12.13 H new HETATM 0 HD11 DLE A 7 11.765 -13.023 -16.056 1.00 12.13 H new HETATM 0 HG DLE A 7 10.447 -12.439 -14.059 1.00 32.51 H new HETATM 0 HB3 DLE A 7 13.079 -12.780 -12.604 1.00 2.24 H new HETATM 0 HB2 DLE A 7 11.517 -12.721 -11.813 1.00 2.24 H new HETATM 0 HA DLE A 7 12.648 -10.525 -13.539 1.00 15.40 H new HETATM 102 N DLY A 8 12.703 -9.174 -11.005 1.00 3.11 N HETATM 103 CA DLY A 8 13.373 -8.575 -9.906 1.00 32.33 C HETATM 104 C DLY A 8 14.004 -7.284 -10.420 1.00 52.32 C HETATM 105 O DLY A 8 13.989 -7.042 -11.614 1.00 32.51 O HETATM 106 CB DLY A 8 12.371 -8.262 -8.794 1.00 15.42 C HETATM 107 CG DLY A 8 12.890 -8.485 -7.365 1.00 33.41 C HETATM 108 CD DLY A 8 12.536 -9.887 -6.821 1.00 54.14 C HETATM 109 CE DLY A 8 13.204 -11.053 -7.560 1.00 73.24 C HETATM 110 NZ DLY A 8 14.653 -11.132 -7.305 1.00 4.34 N HETATM 0 HZ2 DLY A 8 15.208 -11.868 -7.742 1.00 4.34 H new HETATM 0 HZ1 DLY A 8 15.101 -10.451 -6.691 1.00 4.34 H new HETATM 0 HG3 DLY A 8 13.972 -8.355 -7.350 1.00 33.41 H new HETATM 0 HG2 DLY A 8 12.469 -7.726 -6.706 1.00 33.41 H new HETATM 0 HE3 DLY A 8 12.734 -11.988 -7.255 1.00 73.24 H new HETATM 0 HE2 DLY A 8 13.033 -10.945 -8.631 1.00 73.24 H new HETATM 0 HD3 DLY A 8 12.817 -9.934 -5.769 1.00 54.14 H new HETATM 0 HD2 DLY A 8 11.455 -10.017 -6.869 1.00 54.14 H new HETATM 0 HB3 DLY A 8 12.057 -7.223 -8.891 1.00 15.42 H new HETATM 0 HB2 DLY A 8 11.484 -8.878 -8.942 1.00 15.42 H new HETATM 0 HA DLY A 8 14.132 -9.243 -9.498 1.00 32.33 H new HETATM 124 N DLE A 9 14.535 -6.481 -9.546 1.00 63.22 N HETATM 125 CA DLE A 9 15.174 -5.225 -9.918 1.00 32.12 C HETATM 126 CB DLE A 9 16.264 -4.772 -8.869 1.00 14.31 C HETATM 127 CG DLE A 9 15.978 -4.846 -7.317 1.00 31.22 C HETATM 128 CD1 DLE A 9 14.634 -4.290 -6.898 1.00 10.21 C HETATM 129 CD2 DLE A 9 16.219 -6.232 -6.727 1.00 1.32 C HETATM 130 C DLE A 9 14.153 -4.111 -10.176 1.00 52.34 C HETATM 131 O DLE A 9 12.965 -4.294 -9.928 1.00 23.21 O HETATM 0 HD23 DLE A 9 15.566 -6.954 -7.217 1.00 1.32 H new HETATM 0 HD22 DLE A 9 17.259 -6.518 -6.884 1.00 1.32 H new HETATM 0 HD21 DLE A 9 16.005 -6.215 -5.658 1.00 1.32 H new HETATM 0 HD13 DLE A 9 14.570 -3.239 -7.181 1.00 10.21 H new HETATM 0 HD12 DLE A 9 13.839 -4.848 -7.393 1.00 10.21 H new HETATM 0 HD11 DLE A 9 14.523 -4.382 -5.818 1.00 10.21 H new HETATM 0 HG DLE A 9 16.722 -4.176 -6.885 1.00 31.22 H new HETATM 0 HB3 DLE A 9 17.157 -5.368 -9.058 1.00 14.31 H new HETATM 0 HB2 DLE A 9 16.517 -3.737 -9.098 1.00 14.31 H new HETATM 0 HA DLE A 9 15.692 -5.415 -10.858 1.00 32.12 H new HETATM 0 H DLE A 9 14.811 -6.959 -8.689 1.00 63.22 H new HETATM 143 N DCY A 10 14.614 -3.007 -10.734 1.00 41.03 N HETATM 144 CA DCY A 10 13.798 -1.809 -10.866 1.00 32.33 C HETATM 145 C DCY A 10 14.161 -0.826 -9.796 1.00 24.23 C HETATM 146 O DCY A 10 15.235 -0.916 -9.189 1.00 12.14 O HETATM 147 CB DCY A 10 13.999 -1.094 -12.209 1.00 43.41 C HETATM 148 SG DCY A 10 13.020 -1.700 -13.601 1.00 74.02 S HETATM 0 HB3 DCY A 10 13.775 -0.037 -12.069 1.00 43.41 H new HETATM 0 HB2 DCY A 10 15.053 -1.163 -12.478 1.00 43.41 H new HETATM 0 HA DCY A 10 12.763 -2.141 -10.788 1.00 32.33 H new HETATM 153 N DLY A 11 13.262 0.078 -9.545 1.00 3.22 N HETATM 154 CA DLY A 11 13.494 1.205 -8.693 1.00 4.12 C HETATM 155 C DLY A 11 12.513 2.255 -9.121 1.00 74.34 C HETATM 156 O DLY A 11 12.854 3.415 -9.337 1.00 13.03 O HETATM 157 CB DLY A 11 13.321 0.857 -7.214 1.00 53.03 C HETATM 158 CG DLY A 11 13.681 2.000 -6.272 1.00 73.10 C HETATM 159 CD DLY A 11 15.119 2.464 -6.484 1.00 52.34 C HETATM 160 CE DLY A 11 15.485 3.607 -5.560 1.00 0.30 C HETATM 161 NZ DLY A 11 16.857 4.081 -5.810 1.00 44.14 N HETATM 0 HZ2 DLY A 11 17.239 4.850 -5.259 1.00 44.14 H new HETATM 0 HZ1 DLY A 11 17.425 3.641 -6.534 1.00 44.14 H new HETATM 0 HG3 DLY A 11 13.000 2.835 -6.434 1.00 73.10 H new HETATM 0 HG2 DLY A 11 13.550 1.677 -5.239 1.00 73.10 H new HETATM 0 HE3 DLY A 11 14.783 4.429 -5.700 1.00 0.30 H new HETATM 0 HE2 DLY A 11 15.394 3.283 -4.523 1.00 0.30 H new HETATM 0 HD3 DLY A 11 15.799 1.629 -6.315 1.00 52.34 H new HETATM 0 HD2 DLY A 11 15.250 2.778 -7.520 1.00 52.34 H new HETATM 0 HB3 DLY A 11 12.286 0.564 -7.037 1.00 53.03 H new HETATM 0 HB2 DLY A 11 13.942 -0.007 -6.978 1.00 53.03 H new HETATM 0 HA DLY A 11 14.523 1.553 -8.789 1.00 4.12 H new HETATM 0 H DLY A 11 12.537 0.121 -10.261 1.00 3.22 H new HETATM 175 N DGL A 12 11.302 1.825 -9.273 1.00 40.22 N HETATM 176 CA DGL A 12 10.261 2.622 -9.810 1.00 62.41 C HETATM 177 C DGL A 12 9.285 1.690 -10.469 1.00 74.41 C HETATM 178 O DGL A 12 8.884 0.689 -9.870 1.00 45.33 O HETATM 179 CB DGL A 12 9.583 3.478 -8.725 1.00 61.23 C HETATM 180 CG DGL A 12 8.404 4.303 -9.232 1.00 71.52 C HETATM 181 CD DGL A 12 8.791 5.247 -10.343 1.00 4.42 C HETATM 182 OE1 DGL A 12 8.895 6.451 -10.096 1.00 4.41 O HETATM 183 OE2 DGL A 12 9.013 4.787 -11.485 1.00 5.12 O HETATM 0 HG3 DGL A 12 7.622 3.632 -9.587 1.00 71.52 H new HETATM 0 HG2 DGL A 12 7.983 4.875 -8.405 1.00 71.52 H new HETATM 0 HE2 DGL A 12 9.026 5.520 -12.136 1.00 5.12 H new HETATM 0 HB3 DGL A 12 9.238 2.824 -7.924 1.00 61.23 H new HETATM 0 HB2 DGL A 12 10.324 4.150 -8.291 1.00 61.23 H new HETATM 0 HA DGL A 12 10.662 3.329 -10.537 1.00 62.41 H new HETATM 0 H DGL A 12 11.276 0.811 -9.382 1.00 40.22 H new HETATM 190 N DSG A 13 8.898 2.023 -11.680 1.00 11.45 N HETATM 191 CA DSG A 13 8.017 1.176 -12.473 1.00 70.24 C HETATM 192 C DSG A 13 6.691 1.018 -11.738 1.00 31.13 C HETATM 193 O DSG A 13 6.166 -0.065 -11.630 1.00 33.54 O HETATM 194 CB DSG A 13 7.804 1.753 -13.904 1.00 20.11 C HETATM 195 CG DSG A 13 6.809 2.916 -13.998 1.00 12.32 C HETATM 196 OD1 DSG A 13 5.620 2.704 -14.249 1.00 43.44 O HETATM 197 ND2 DSG A 13 7.262 4.126 -13.767 1.00 64.15 N HETATM 0 HD22 DSG A 13 6.631 4.926 -13.820 1.00 64.15 H new HETATM 0 HD21 DSG A 13 8.245 4.267 -13.535 1.00 64.15 H new HETATM 0 HB3 DSG A 13 8.767 2.087 -14.290 1.00 20.11 H new HETATM 0 HB2 DSG A 13 7.461 0.949 -14.555 1.00 20.11 H new HETATM 0 HA DSG A 13 8.481 0.197 -12.597 1.00 70.24 H new HETATM 204 N DLY A 14 6.239 2.108 -11.134 1.00 20.42 N HETATM 205 CA DLY A 14 4.982 2.153 -10.398 1.00 20.32 C HETATM 206 C DLY A 14 5.104 1.403 -9.076 1.00 1.31 C HETATM 207 O DLY A 14 4.106 0.987 -8.484 1.00 24.33 O HETATM 208 CB DLY A 14 4.612 3.609 -10.117 1.00 5.25 C HETATM 209 CG DLY A 14 4.499 4.470 -11.368 1.00 2.33 C HETATM 210 CD DLY A 14 4.267 5.934 -11.027 1.00 34.20 C HETATM 211 CE DLY A 14 2.916 6.176 -10.362 1.00 43.31 C HETATM 212 NZ DLY A 14 1.787 5.884 -11.273 1.00 14.23 N HETATM 0 HZ2 DLY A 14 0.827 6.005 -10.951 1.00 14.23 H new HETATM 0 HZ1 DLY A 14 1.969 5.561 -12.223 1.00 14.23 H new HETATM 0 HG3 DLY A 14 5.410 4.374 -11.959 1.00 2.33 H new HETATM 0 HG2 DLY A 14 3.678 4.106 -11.987 1.00 2.33 H new HETATM 0 HE3 DLY A 14 2.834 5.552 -9.472 1.00 43.31 H new HETATM 0 HE2 DLY A 14 2.856 7.213 -10.031 1.00 43.31 H new HETATM 0 HD3 DLY A 14 5.061 6.279 -10.364 1.00 34.20 H new HETATM 0 HD2 DLY A 14 4.331 6.530 -11.938 1.00 34.20 H new HETATM 0 HB3 DLY A 14 3.662 3.636 -9.583 1.00 5.25 H new HETATM 0 HB2 DLY A 14 5.362 4.043 -9.456 1.00 5.25 H new HETATM 0 HA DLY A 14 4.208 1.678 -11.001 1.00 20.32 H new HETATM 226 N DAS A 15 6.328 1.225 -8.622 1.00 23.44 N HETATM 227 CA DAS A 15 6.583 0.558 -7.352 1.00 42.23 C HETATM 228 C DAS A 15 6.749 -0.934 -7.597 1.00 35.34 C HETATM 229 O DAS A 15 6.776 -1.741 -6.676 1.00 33.30 O HETATM 230 CB DAS A 15 7.816 1.155 -6.660 1.00 60.44 C HETATM 231 CG DAS A 15 7.946 0.741 -5.205 1.00 31.23 C HETATM 232 OD1 DAS A 15 7.016 1.027 -4.413 1.00 32.15 O HETATM 233 OD2 DAS A 15 8.993 0.225 -4.809 1.00 40.24 O HETATM 0 HB3 DAS A 15 8.712 0.847 -7.200 1.00 60.44 H new HETATM 0 HB2 DAS A 15 7.766 2.242 -6.718 1.00 60.44 H new HETATM 0 HA DAS A 15 5.736 0.712 -6.684 1.00 42.23 H new HETATM 238 N DCY A 16 6.868 -1.291 -8.848 1.00 12.21 N HETATM 239 CA DCY A 16 6.897 -2.672 -9.250 1.00 11.41 C HETATM 240 C DCY A 16 5.479 -3.148 -9.545 1.00 72.40 C HETATM 241 O DCY A 16 4.690 -2.417 -10.125 1.00 0.32 O HETATM 242 CB DCY A 16 7.788 -2.854 -10.475 1.00 62.12 C HETATM 243 SG DCY A 16 9.518 -2.382 -10.196 1.00 31.20 S HETATM 0 HB3 DCY A 16 7.751 -3.897 -10.788 1.00 62.12 H new HETATM 0 HB2 DCY A 16 7.387 -2.260 -11.296 1.00 62.12 H new HETATM 0 HA DCY A 16 7.312 -3.270 -8.438 1.00 11.41 H new HETATM 248 N DCY A 17 5.172 -4.369 -9.144 1.00 73.23 N HETATM 249 CA DCY A 17 3.859 -4.970 -9.310 1.00 20.42 C HETATM 250 C DCY A 17 3.484 -5.005 -10.780 1.00 40.03 C HETATM 251 O DCY A 17 2.422 -4.518 -11.167 1.00 42.01 O HETATM 252 CB DCY A 17 3.867 -6.395 -8.755 1.00 4.51 C HETATM 253 SG DCY A 17 4.541 -6.552 -7.063 1.00 44.24 S HETATM 0 HB3 DCY A 17 2.847 -6.779 -8.762 1.00 4.51 H new HETATM 0 HB2 DCY A 17 4.450 -7.028 -9.424 1.00 4.51 H new HETATM 0 HA DCY A 17 3.128 -4.372 -8.767 1.00 20.42 H new HETATM 258 N DSN A 18 4.390 -5.529 -11.596 1.00 43.40 N HETATM 259 CA DSN A 18 4.170 -5.653 -13.025 1.00 70.54 C HETATM 260 C DSN A 18 4.236 -4.278 -13.718 1.00 3.32 C HETATM 261 O DSN A 18 3.686 -4.096 -14.812 1.00 12.22 O HETATM 262 CB DSN A 18 5.216 -6.614 -13.616 1.00 33.21 C HETATM 263 OG DSN A 18 5.024 -6.825 -15.007 1.00 53.35 O HETATM 0 HG DSN A 18 5.652 -7.507 -15.324 1.00 53.35 H new HETATM 0 HB3 DSN A 18 6.214 -6.211 -13.446 1.00 33.21 H new HETATM 0 HB2 DSN A 18 5.165 -7.570 -13.095 1.00 33.21 H new HETATM 0 HA DSN A 18 3.172 -6.056 -13.197 1.00 70.54 H new HETATM 269 N DLY A 19 4.879 -3.309 -13.046 1.00 63.30 N HETATM 270 CA DLY A 19 5.102 -1.956 -13.579 1.00 12.32 C HETATM 271 C DLY A 19 5.895 -1.948 -14.881 1.00 43.41 C HETATM 272 O DLY A 19 5.824 -0.992 -15.646 1.00 4.12 O HETATM 273 CB DLY A 19 3.787 -1.178 -13.751 1.00 3.45 C HETATM 274 CG DLY A 19 3.094 -0.820 -12.443 1.00 43.45 C HETATM 275 CD DLY A 19 1.844 0.015 -12.675 1.00 62.04 C HETATM 276 CE DLY A 19 2.159 1.332 -13.374 1.00 44.35 C HETATM 277 NZ DLY A 19 0.948 2.131 -13.583 1.00 44.14 N HETATM 0 HZ2 DLY A 19 1.010 3.040 -14.042 1.00 44.14 H new HETATM 0 HZ1 DLY A 19 0.044 1.778 -13.270 1.00 44.14 H new HETATM 0 HG3 DLY A 19 2.827 -1.733 -11.911 1.00 43.45 H new HETATM 0 HG2 DLY A 19 3.785 -0.270 -11.804 1.00 43.45 H new HETATM 0 HE3 DLY A 19 2.873 1.900 -12.778 1.00 44.35 H new HETATM 0 HE2 DLY A 19 2.634 1.131 -14.334 1.00 44.35 H new HETATM 0 HD3 DLY A 19 1.134 -0.554 -13.276 1.00 62.04 H new HETATM 0 HD2 DLY A 19 1.361 0.218 -11.719 1.00 62.04 H new HETATM 0 HB3 DLY A 19 3.991 -0.261 -14.303 1.00 3.45 H new HETATM 0 HB2 DLY A 19 3.105 -1.771 -14.359 1.00 3.45 H new HETATM 0 HA DLY A 19 5.707 -1.448 -12.828 1.00 12.32 H new HETATM 291 N DLY A 20 6.684 -2.968 -15.110 1.00 0.32 N HETATM 292 CA DLY A 20 7.433 -3.052 -16.340 1.00 3.50 C HETATM 293 C DLY A 20 8.924 -2.956 -16.126 1.00 75.33 C HETATM 294 O DLY A 20 9.582 -3.953 -15.832 1.00 22.15 O HETATM 295 CB DLY A 20 7.096 -4.324 -17.121 1.00 62.21 C HETATM 296 CG DLY A 20 5.669 -4.393 -17.648 1.00 44.22 C HETATM 297 CD DLY A 20 5.361 -3.258 -18.622 1.00 5.21 C HETATM 298 CE DLY A 20 6.262 -3.286 -19.855 1.00 33.33 C HETATM 299 NZ DLY A 20 5.963 -2.172 -20.780 1.00 63.41 N HETATM 0 HZ2 DLY A 20 6.493 -2.072 -21.646 1.00 63.41 H new HETATM 0 HZ1 DLY A 20 5.227 -1.504 -20.552 1.00 63.41 H new HETATM 0 HG3 DLY A 20 5.513 -5.350 -18.146 1.00 44.22 H new HETATM 0 HG2 DLY A 20 4.972 -4.351 -16.811 1.00 44.22 H new HETATM 0 HE3 DLY A 20 7.305 -3.230 -19.544 1.00 33.33 H new HETATM 0 HE2 DLY A 20 6.135 -4.235 -20.376 1.00 33.33 H new HETATM 0 HD3 DLY A 20 4.319 -3.325 -18.935 1.00 5.21 H new HETATM 0 HD2 DLY A 20 5.479 -2.303 -18.111 1.00 5.21 H new HETATM 0 HB3 DLY A 20 7.783 -4.409 -17.963 1.00 62.21 H new HETATM 0 HB2 DLY A 20 7.272 -5.186 -16.477 1.00 62.21 H new HETATM 0 HA DLY A 20 7.130 -2.187 -16.930 1.00 3.50 H new HETATM 313 N DCY A 21 9.441 -1.767 -16.243 1.00 11.12 N HETATM 314 CA DCY A 21 10.869 -1.542 -16.175 1.00 63.12 C HETATM 315 C DCY A 21 11.485 -1.551 -17.557 1.00 73.40 C HETATM 316 O DCY A 21 11.194 -0.672 -18.384 1.00 13.12 O HETATM 317 CB DCY A 21 11.204 -0.222 -15.469 1.00 61.11 C HETATM 318 SG DCY A 21 11.472 -0.374 -13.692 1.00 24.10 S HETATM 0 HB3 DCY A 21 12.099 0.202 -15.924 1.00 61.11 H new HETATM 0 HB2 DCY A 21 10.393 0.485 -15.643 1.00 61.11 H new HETATM 0 HA DCY A 21 11.291 -2.359 -15.590 1.00 63.12 H new HETATM 323 N DLY A 22 12.279 -2.555 -17.841 1.00 14.34 N HETATM 324 CA DLY A 22 13.013 -2.607 -19.085 1.00 1.04 C HETATM 325 C DLY A 22 14.437 -2.990 -18.788 1.00 60.10 C HETATM 326 O DLY A 22 14.718 -3.619 -17.756 1.00 33.24 O HETATM 327 CB DLY A 22 12.431 -3.602 -20.118 1.00 54.22 C HETATM 328 CG DLY A 22 10.985 -3.351 -20.549 1.00 65.22 C HETATM 329 CD DLY A 22 10.639 -4.103 -21.846 1.00 65.40 C HETATM 330 CE DLY A 22 10.915 -5.606 -21.768 1.00 20.14 C HETATM 331 NZ DLY A 22 10.071 -6.301 -20.778 1.00 42.13 N HETATM 0 HZ2 DLY A 22 10.169 -7.307 -20.641 1.00 42.13 H new HETATM 0 HZ1 DLY A 22 9.389 -5.776 -20.231 1.00 42.13 H new HETATM 0 HG3 DLY A 22 10.309 -3.666 -19.754 1.00 65.22 H new HETATM 0 HG2 DLY A 22 10.829 -2.282 -20.695 1.00 65.22 H new HETATM 0 HE3 DLY A 22 10.753 -6.050 -22.750 1.00 20.14 H new HETATM 0 HE2 DLY A 22 11.964 -5.764 -21.516 1.00 20.14 H new HETATM 0 HD3 DLY A 22 9.586 -3.946 -22.079 1.00 65.40 H new HETATM 0 HD2 DLY A 22 11.214 -3.678 -22.669 1.00 65.40 H new HETATM 0 HB3 DLY A 22 13.062 -3.584 -21.006 1.00 54.22 H new HETATM 0 HB2 DLY A 22 12.496 -4.607 -19.701 1.00 54.22 H new HETATM 0 HA DLY A 22 12.941 -1.617 -19.534 1.00 1.04 H new HETATM 0 H DLY A 22 12.751 -2.763 -16.961 1.00 14.34 H new HETATM 345 N DAR A 23 15.341 -2.598 -19.645 1.00 33.52 N HETATM 346 CA DAR A 23 16.709 -2.981 -19.477 1.00 72.41 C HETATM 347 CB DAR A 23 17.710 -1.939 -20.064 1.00 24.14 C HETATM 348 CG DAR A 23 17.701 -1.749 -21.587 1.00 52.34 C HETATM 349 CD DAR A 23 18.803 -0.806 -22.032 1.00 64.54 C HETATM 350 NE DAR A 23 18.638 0.513 -21.441 1.00 0.33 N HETATM 351 CZ DAR A 23 19.579 1.470 -21.397 1.00 41.31 C HETATM 352 NH1 DAR A 23 20.805 1.234 -21.844 1.00 33.32 N HETATM 353 NH2 DAR A 23 19.290 2.653 -20.893 1.00 60.25 N HETATM 354 C DAR A 23 16.919 -4.347 -20.091 1.00 21.11 C HETATM 355 O DAR A 23 17.335 -5.270 -19.413 1.00 30.22 O HETATM 0 HH22 DAR A 23 20.004 3.381 -20.859 1.00 60.25 H new HETATM 0 HH21 DAR A 23 18.353 2.841 -20.537 1.00 60.25 H new HETATM 0 HH12 DAR A 23 21.512 1.968 -21.806 1.00 33.32 H new HETATM 0 HH11 DAR A 23 21.041 0.318 -22.226 1.00 33.32 H new HETATM 0 HG3 DAR A 23 17.826 -2.715 -22.077 1.00 52.34 H new HETATM 0 HG2 DAR A 23 16.734 -1.355 -21.901 1.00 52.34 H new HETATM 0 HE DAR A 23 17.732 0.729 -21.025 1.00 0.33 H new HETATM 0 HD3 DAR A 23 19.772 -1.216 -21.748 1.00 64.54 H new HETATM 0 HD2 DAR A 23 18.798 -0.724 -23.119 1.00 64.54 H new HETATM 0 HB3 DAR A 23 17.506 -0.974 -19.601 1.00 24.14 H new HETATM 0 HB2 DAR A 23 18.717 -2.230 -19.764 1.00 24.14 H new HETATM 0 HA DAR A 23 16.918 -3.020 -18.408 1.00 72.41 H new HETATM 0 H DAR A 23 15.111 -1.720 -20.110 1.00 33.52 H new HETATM 369 N DAR A 24 16.500 -4.468 -21.339 1.00 20.32 N HETATM 370 CA DAR A 24 16.738 -5.636 -22.159 1.00 42.53 C HETATM 371 CB DAR A 24 16.529 -5.360 -23.672 1.00 42.10 C HETATM 372 CG DAR A 24 15.155 -4.817 -24.076 1.00 44.42 C HETATM 373 CD DAR A 24 15.075 -3.290 -23.995 1.00 43.21 C HETATM 374 NE DAR A 24 15.986 -2.633 -24.952 1.00 43.23 N HETATM 375 CZ DAR A 24 15.977 -1.325 -25.268 1.00 11.41 C HETATM 376 NH1 DAR A 24 15.103 -0.499 -24.696 1.00 60.03 N HETATM 377 NH2 DAR A 24 16.856 -0.854 -26.148 1.00 4.12 N HETATM 378 C DAR A 24 15.921 -6.823 -21.728 1.00 43.11 C HETATM 379 O DAR A 24 14.869 -6.678 -21.084 1.00 73.22 O HETATM 0 HH22 DAR A 24 16.853 0.137 -26.391 1.00 4.12 H new HETATM 0 HH21 DAR A 24 17.533 -1.483 -26.580 1.00 4.12 H new HETATM 0 HH12 DAR A 24 15.102 0.491 -24.940 1.00 60.03 H new HETATM 0 HH11 DAR A 24 14.435 -0.857 -24.014 1.00 60.03 H new HETATM 0 HG3 DAR A 24 14.928 -5.135 -25.094 1.00 44.42 H new HETATM 0 HG2 DAR A 24 14.393 -5.251 -23.429 1.00 44.42 H new HETATM 0 HE DAR A 24 16.681 -3.220 -25.413 1.00 43.23 H new HETATM 0 HD3 DAR A 24 14.052 -2.970 -24.192 1.00 43.21 H new HETATM 0 HD2 DAR A 24 15.320 -2.968 -22.983 1.00 43.21 H new HETATM 0 HB3 DAR A 24 17.288 -4.649 -23.999 1.00 42.10 H new HETATM 0 HB2 DAR A 24 16.705 -6.287 -24.217 1.00 42.10 H new HETATM 0 HA DAR A 24 17.789 -5.881 -22.007 1.00 42.53 H new HETATM 0 H DAR A 24 16.226 -3.587 -21.774 1.00 20.32 H new ATOM 393 N GLY A 25 16.416 -7.977 -22.065 1.00 54.43 N ATOM 394 CA GLY A 25 15.796 -9.215 -21.726 1.00 53.15 C ATOM 395 C GLY A 25 16.857 -10.165 -21.261 1.00 61.21 C ATOM 396 O GLY A 25 17.878 -10.331 -21.933 1.00 22.52 O ATOM 0 H GLY A 25 17.281 -8.082 -22.595 1.00 54.43 H new ATOM 0 HA2 GLY A 25 15.052 -9.065 -20.943 1.00 53.15 H new ATOM 0 HA3 GLY A 25 15.272 -9.625 -22.589 1.00 53.15 H new HETATM 400 N DTH A 26 16.672 -10.746 -20.108 1.00 10.25 N HETATM 401 CA DTH A 26 17.677 -11.635 -19.532 1.00 74.30 C HETATM 402 CB DTH A 26 17.027 -12.662 -18.561 1.00 0.20 C HETATM 403 CG2 DTH A 26 16.355 -11.975 -17.377 1.00 53.42 C HETATM 404 OG1 DTH A 26 16.039 -13.430 -19.271 1.00 4.03 O HETATM 405 C DTH A 26 18.806 -10.838 -18.816 1.00 2.01 C HETATM 406 O DTH A 26 19.664 -11.414 -18.152 1.00 10.03 O HETATM 0 HG23 DTH A 26 17.096 -11.401 -16.821 1.00 53.42 H new HETATM 0 HG22 DTH A 26 15.575 -11.306 -17.740 1.00 53.42 H new HETATM 0 HG21 DTH A 26 15.913 -12.727 -16.723 1.00 53.42 H new HETATM 0 HG1 DTH A 26 15.629 -14.079 -18.662 1.00 4.03 H new HETATM 0 HB DTH A 26 17.819 -13.306 -18.180 1.00 0.20 H new HETATM 0 HA DTH A 26 18.132 -12.185 -20.356 1.00 74.30 H new HETATM 0 H DTH A 26 15.690 -10.853 -19.853 1.00 10.25 H new HETATM 414 N DSG A 27 18.800 -9.511 -18.997 1.00 72.53 N HETATM 415 CA DSG A 27 19.774 -8.586 -18.389 1.00 32.13 C HETATM 416 C DSG A 27 19.725 -7.329 -19.194 1.00 35.25 C HETATM 417 O DSG A 27 19.037 -7.288 -20.209 1.00 22.22 O HETATM 418 CB DSG A 27 19.392 -8.172 -16.940 1.00 41.41 C HETATM 419 CG DSG A 27 19.179 -9.301 -15.990 1.00 1.11 C HETATM 420 OD1 DSG A 27 18.059 -9.791 -15.880 1.00 62.44 O HETATM 421 ND2 DSG A 27 20.183 -9.669 -15.241 1.00 5.22 N HETATM 0 HD22 DSG A 27 20.071 -10.438 -14.580 1.00 5.22 H new HETATM 0 HD21 DSG A 27 21.079 -9.188 -15.317 1.00 5.22 H new HETATM 0 HB3 DSG A 27 20.178 -7.529 -16.544 1.00 41.41 H new HETATM 0 HB2 DSG A 27 18.481 -7.575 -16.979 1.00 41.41 H new HETATM 0 HA DSG A 27 20.744 -9.082 -18.369 1.00 32.13 H new HETATM 0 H DSG A 27 18.260 -9.220 -19.812 1.00 72.53 H new HETATM 428 N DIL A 28 20.432 -6.311 -18.738 1.00 31.32 N HETATM 429 CA DIL A 28 20.355 -4.968 -19.307 1.00 61.43 C HETATM 430 C DIL A 28 20.400 -3.960 -18.124 1.00 2.32 C HETATM 431 O DIL A 28 20.514 -2.746 -18.294 1.00 52.34 O HETATM 432 CB DIL A 28 21.538 -4.731 -20.295 1.00 64.25 C HETATM 433 CG1 DIL A 28 22.892 -4.618 -19.550 1.00 11.20 C HETATM 434 CG2 DIL A 28 21.275 -3.543 -21.207 1.00 74.03 C HETATM 435 CD1 DIL A 28 24.091 -4.430 -20.455 1.00 64.40 C HETATM 0 HG23 DIL A 28 20.371 -3.724 -21.789 1.00 74.03 H new HETATM 0 HG22 DIL A 28 21.144 -2.644 -20.605 1.00 74.03 H new HETATM 0 HG21 DIL A 28 22.120 -3.408 -21.882 1.00 74.03 H new HETATM 0 HG13 DIL A 28 22.842 -3.779 -18.855 1.00 11.20 H new HETATM 0 HG12 DIL A 28 23.040 -5.518 -18.953 1.00 11.20 H new HETATM 0 HD13 DIL A 28 24.172 -5.280 -21.133 1.00 64.40 H new HETATM 0 HD12 DIL A 28 23.970 -3.514 -21.034 1.00 64.40 H new HETATM 0 HD11 DIL A 28 24.996 -4.360 -19.851 1.00 64.40 H new HETATM 0 HB DIL A 28 21.610 -5.608 -20.938 1.00 64.25 H new HETATM 0 HA DIL A 28 19.433 -4.837 -19.874 1.00 61.43 H new HETATM 0 H DIL A 28 20.500 -6.434 -17.728 1.00 31.32 H new HETATM 447 N DGL A 29 20.181 -4.501 -16.935 1.00 4.35 N HETATM 448 CA DGL A 29 20.396 -3.787 -15.667 1.00 33.34 C HETATM 449 C DGL A 29 19.138 -3.106 -15.106 1.00 30.42 C HETATM 450 O DGL A 29 19.107 -2.798 -13.913 1.00 31.23 O HETATM 451 CB DGL A 29 20.887 -4.789 -14.637 1.00 70.12 C HETATM 452 CG DGL A 29 22.107 -5.560 -15.068 1.00 60.50 C HETATM 453 CD DGL A 29 22.529 -6.554 -14.039 1.00 35.03 C HETATM 454 OE1 DGL A 29 23.361 -6.200 -13.166 1.00 21.13 O HETATM 455 OE2 DGL A 29 22.032 -7.699 -14.051 1.00 0.52 O HETATM 0 HG3 DGL A 29 21.899 -6.075 -16.006 1.00 60.50 H new HETATM 0 HG2 DGL A 29 22.926 -4.866 -15.260 1.00 60.50 H new HETATM 0 HE2 DGL A 29 22.556 -8.289 -13.470 1.00 0.52 H new HETATM 0 HB3 DGL A 29 21.111 -4.262 -13.710 1.00 70.12 H new HETATM 0 HB2 DGL A 29 20.084 -5.492 -14.417 1.00 70.12 H new HETATM 0 HA DGL A 29 21.118 -2.997 -15.871 1.00 33.34 H new HETATM 462 N DLY A 30 18.134 -2.852 -15.953 1.00 32.33 N HETATM 463 CA DLY A 30 16.853 -2.217 -15.525 1.00 24.44 C HETATM 464 C DLY A 30 16.128 -3.087 -14.491 1.00 34.45 C HETATM 465 O DLY A 30 16.375 -2.987 -13.264 1.00 53.31 O HETATM 466 CB DLY A 30 17.072 -0.798 -14.950 1.00 21.02 C HETATM 467 CG DLY A 30 17.626 0.228 -15.928 1.00 62.34 C HETATM 468 CD DLY A 30 16.622 0.570 -17.017 1.00 53.04 C HETATM 469 CE DLY A 30 17.103 1.736 -17.866 1.00 40.04 C HETATM 470 NZ DLY A 30 17.269 2.977 -17.074 1.00 21.53 N HETATM 0 HZ2 DLY A 30 17.588 3.833 -17.528 1.00 21.53 H new HETATM 0 HZ1 DLY A 30 17.065 2.975 -16.075 1.00 21.53 H new HETATM 0 HG3 DLY A 30 17.899 1.134 -15.388 1.00 62.34 H new HETATM 0 HG2 DLY A 30 18.538 -0.159 -16.383 1.00 62.34 H new HETATM 0 HE3 DLY A 30 18.053 1.475 -18.332 1.00 40.04 H new HETATM 0 HE2 DLY A 30 16.391 1.914 -18.672 1.00 40.04 H new HETATM 0 HD3 DLY A 30 16.459 -0.301 -17.651 1.00 53.04 H new HETATM 0 HD2 DLY A 30 15.662 0.819 -16.564 1.00 53.04 H new HETATM 0 HB3 DLY A 30 16.121 -0.430 -14.565 1.00 21.02 H new HETATM 0 HB2 DLY A 30 17.753 -0.870 -14.102 1.00 21.02 H new HETATM 0 HA DLY A 30 16.233 -2.128 -16.417 1.00 24.44 H new HETATM 484 N DAR A 31 15.270 -3.953 -14.958 1.00 22.55 N HETATM 485 CA DAR A 31 14.602 -4.875 -14.069 1.00 61.33 C HETATM 486 CB DAR A 31 15.229 -6.263 -14.165 1.00 23.42 C HETATM 487 CG DAR A 31 16.695 -6.301 -13.785 1.00 64.40 C HETATM 488 CD DAR A 31 17.224 -7.706 -13.752 1.00 61.11 C HETATM 489 NE DAR A 31 16.717 -8.490 -12.626 1.00 41.23 N HETATM 490 CZ DAR A 31 17.021 -9.785 -12.406 1.00 13.42 C HETATM 491 NH1 DAR A 31 17.636 -10.496 -13.321 1.00 4.22 N HETATM 492 NH2 DAR A 31 16.682 -10.358 -11.296 1.00 52.43 N HETATM 493 C DAR A 31 13.113 -4.944 -14.345 1.00 44.31 C HETATM 494 O DAR A 31 12.675 -4.813 -15.501 1.00 51.15 O HETATM 0 HH22 DAR A 31 16.915 -11.338 -11.136 1.00 52.43 H new HETATM 0 HH21 DAR A 31 16.182 -9.830 -10.581 1.00 52.43 H new HETATM 0 HH12 DAR A 31 17.860 -11.475 -13.141 1.00 4.22 H new HETATM 0 HH11 DAR A 31 17.890 -10.070 -14.212 1.00 4.22 H new HETATM 0 HG3 DAR A 31 17.271 -5.712 -14.498 1.00 64.40 H new HETATM 0 HG2 DAR A 31 16.830 -5.838 -12.807 1.00 64.40 H new HETATM 0 HE DAR A 31 16.093 -8.027 -11.965 1.00 41.23 H new HETATM 0 HD3 DAR A 31 16.960 -8.208 -14.683 1.00 61.11 H new HETATM 0 HD2 DAR A 31 18.313 -7.676 -13.704 1.00 61.11 H new HETATM 0 HB3 DAR A 31 14.678 -6.946 -13.518 1.00 23.42 H new HETATM 0 HB2 DAR A 31 15.118 -6.631 -15.185 1.00 23.42 H new HETATM 0 HA DAR A 31 14.731 -4.501 -13.053 1.00 61.33 H new HETATM 508 N DCY A 32 12.349 -5.146 -13.296 1.00 40.35 N HETATM 509 CA DCY A 32 10.913 -5.219 -13.387 1.00 64.45 C HETATM 510 C DCY A 32 10.453 -6.637 -13.627 1.00 31.24 C HETATM 511 O DCY A 32 10.629 -7.509 -12.778 1.00 23.33 O HETATM 512 CB DCY A 32 10.236 -4.647 -12.129 1.00 14.44 C HETATM 513 SG DCY A 32 10.461 -2.858 -11.917 1.00 14.13 S HETATM 0 HB3 DCY A 32 9.169 -4.866 -12.172 1.00 14.44 H new HETATM 0 HB2 DCY A 32 10.631 -5.159 -11.252 1.00 14.44 H new HETATM 0 HA DCY A 32 10.615 -4.609 -14.240 1.00 64.45 H new HETATM 518 N DAR A 33 9.917 -6.865 -14.797 1.00 62.45 N HETATM 519 CA DAR A 33 9.321 -8.122 -15.187 1.00 44.42 C HETATM 520 CB DAR A 33 10.317 -9.209 -15.705 1.00 54.25 C HETATM 521 CG DAR A 33 11.220 -8.847 -16.871 1.00 53.14 C HETATM 522 CD DAR A 33 12.421 -8.050 -16.419 1.00 11.35 C HETATM 523 NE DAR A 33 13.319 -7.760 -17.527 1.00 54.03 N HETATM 524 CZ DAR A 33 14.641 -7.976 -17.542 1.00 11.21 C HETATM 525 NH1 DAR A 33 15.228 -8.665 -16.551 1.00 74.13 N HETATM 526 NH2 DAR A 33 15.361 -7.568 -18.574 1.00 73.42 N HETATM 527 C DAR A 33 8.244 -7.840 -16.195 1.00 15.42 C HETATM 528 O DAR A 33 7.076 -8.128 -15.919 1.00 11.50 O HETATM 529 OXT DAR A 33 8.547 -7.219 -17.218 1.00 0.00 O HETATM 0 HH22 DAR A 33 16.368 -7.730 -18.589 1.00 73.42 H new HETATM 0 HH21 DAR A 33 14.909 -7.091 -19.354 1.00 73.42 H new HETATM 0 HH12 DAR A 33 16.235 -8.826 -16.569 1.00 74.13 H new HETATM 0 HH11 DAR A 33 14.667 -9.028 -15.780 1.00 74.13 H new HETATM 0 HG3 DAR A 33 11.554 -9.757 -17.370 1.00 53.14 H new HETATM 0 HG2 DAR A 33 10.655 -8.271 -17.604 1.00 53.14 H new HETATM 0 HE DAR A 33 12.905 -7.356 -18.367 1.00 54.03 H new HETATM 0 HD3 DAR A 33 12.089 -7.116 -15.965 1.00 11.35 H new HETATM 0 HD2 DAR A 33 12.958 -8.605 -15.650 1.00 11.35 H new HETATM 0 HB3 DAR A 33 10.952 -9.506 -14.870 1.00 54.25 H new HETATM 0 HB2 DAR A 33 9.736 -10.086 -15.991 1.00 54.25 H new HETATM 0 HA DAR A 33 8.910 -8.569 -14.282 1.00 44.42 H new TER 543 DAR A 33