USER MOD reduce.3.24.130724 H: found=0, std=0, add=249, rem=0, adj=3 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 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 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 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 23 DAR H : A 23 DAR N : A 22 DLY C :(H bumps) USER MOD NoAdj-H: A 24 DAR H2 : A 24 DAR N : A 23 DAR C :(H bumps) USER MOD NoAdj-H: A 24 DAR H : A 24 DAR N : A 23 DAR C :(H bumps) USER MOD NoAdj-H: A 26 DTH HN2 : A 26 DTH N : A 25 GLY C :(H bumps) USER MOD NoAdj-H: A 27 DSG H2 : A 27 DSG N : A 26 DTH C :(H bumps) USER MOD NoAdj-H: A 28 DIL H2 : A 28 DIL N : A 27 DSG C :(H bumps) USER MOD NoAdj-H: A 28 DIL H : A 28 DIL N : A 27 DSG C :(H bumps) USER MOD NoAdj-H: A 29 DGL HE2 : A 29 DGL OE2 : A 29 DGL CD :(short bond) USER MOD NoAdj-H: A 29 DGL H2 : A 29 DGL N : A 28 DIL C :(H bumps) USER MOD NoAdj-H: A 29 DGL H : A 29 DGL N : A 28 DIL C :(H bumps) USER MOD NoAdj-H: A 30 DLY H2 : A 30 DLY N : A 29 DGL C :(H bumps) USER MOD NoAdj-H: A 30 DLY H : A 30 DLY N : A 29 DGL C :(H bumps) USER MOD NoAdj-H: A 31 DAR H2 : A 31 DAR N : A 30 DLY C :(H bumps) USER MOD NoAdj-H: A 31 DAR H : A 31 DAR N : A 30 DLY C :(H bumps) USER MOD NoAdj-H: A 32 DCY H2 : A 32 DCY N : A 31 DAR C :(H bumps) USER MOD NoAdj-H: A 32 DCY H : A 32 DCY N : A 31 DAR C :(H bumps) USER MOD NoAdj-H: A 33 DAR 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+ -138:sc= 0.0471 (180deg=0) USER MOD Single : A 18 DSN OG : rot 126:sc= -0.42 USER MOD Single : A 26 DTH OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.621 -2.085 -0.965 1.00 74.10 N ATOM 2 CA GLY A 1 0.773 -1.659 -1.028 1.00 21.33 C ATOM 3 C GLY A 1 1.647 -2.769 -1.542 1.00 75.32 C ATOM 4 O GLY A 1 1.222 -3.541 -2.409 1.00 4.32 O ATOM 0 H1 GLY A 1 -1.234 -1.319 -1.310 1.00 74.10 H new ATOM 0 H2 GLY A 1 -0.753 -2.928 -1.559 1.00 74.10 H new ATOM 0 H3 GLY A 1 -0.871 -2.312 0.019 1.00 74.10 H new ATOM 0 HA2 GLY A 1 0.863 -0.788 -1.678 1.00 21.33 H new ATOM 0 HA3 GLY A 1 1.110 -1.354 -0.037 1.00 21.33 H new HETATM 10 N DAS A 2 2.846 -2.881 -1.013 1.00 74.31 N HETATM 11 CA DAS A 2 3.766 -3.915 -1.448 1.00 70.40 C HETATM 12 C DAS A 2 4.793 -3.330 -2.387 1.00 33.40 C HETATM 13 O DAS A 2 5.647 -2.551 -1.980 1.00 72.12 O HETATM 14 CB DAS A 2 4.453 -4.594 -0.260 1.00 44.13 C HETATM 15 CG DAS A 2 5.414 -5.686 -0.693 1.00 74.23 C HETATM 16 OD1 DAS A 2 4.953 -6.757 -1.142 1.00 72.43 O HETATM 17 OD2 DAS A 2 6.638 -5.512 -0.557 1.00 30.51 O HETATM 0 HB3 DAS A 2 4.995 -3.846 0.319 1.00 44.13 H new HETATM 0 HB2 DAS A 2 3.696 -5.020 0.399 1.00 44.13 H new HETATM 0 HA DAS A 2 3.192 -4.677 -1.975 1.00 70.40 H new HETATM 22 N DCY A 3 4.681 -3.672 -3.625 1.00 12.00 N HETATM 23 CA DCY A 3 5.556 -3.172 -4.651 1.00 20.10 C HETATM 24 C DCY A 3 6.626 -4.219 -5.022 1.00 55.44 C HETATM 25 O DCY A 3 6.650 -5.312 -4.437 1.00 74.42 O HETATM 26 CB DCY A 3 4.701 -2.722 -5.850 1.00 10.45 C HETATM 27 SG DCY A 3 3.267 -3.808 -6.240 1.00 63.32 S HETATM 0 HB3 DCY A 3 4.332 -1.715 -5.655 1.00 10.45 H new HETATM 0 HB2 DCY A 3 5.341 -2.662 -6.730 1.00 10.45 H new HETATM 0 HA DCY A 3 6.110 -2.306 -4.290 1.00 20.10 H new HETATM 32 N DLE A 4 7.539 -3.882 -5.930 1.00 4.14 N HETATM 33 CA DLE A 4 8.575 -4.825 -6.368 1.00 53.22 C HETATM 34 CB DLE A 4 9.660 -4.138 -7.227 1.00 20.52 C HETATM 35 CG DLE A 4 10.746 -3.315 -6.511 1.00 45.31 C HETATM 36 CD1 DLE A 4 11.710 -2.751 -7.523 1.00 41.11 C HETATM 37 CD2 DLE A 4 10.163 -2.190 -5.678 1.00 40.45 C HETATM 38 C DLE A 4 7.957 -5.979 -7.150 1.00 71.24 C HETATM 39 O DLE A 4 7.007 -5.767 -7.901 1.00 73.11 O HETATM 0 HD23 DLE A 4 9.599 -1.515 -6.322 1.00 40.45 H new HETATM 0 HD22 DLE A 4 9.500 -2.605 -4.919 1.00 40.45 H new HETATM 0 HD21 DLE A 4 10.970 -1.640 -5.194 1.00 40.45 H new HETATM 0 HD13 DLE A 4 12.180 -3.567 -8.072 1.00 41.11 H new HETATM 0 HD12 DLE A 4 11.172 -2.108 -8.219 1.00 41.11 H new HETATM 0 HD11 DLE A 4 12.476 -2.169 -7.011 1.00 41.11 H new HETATM 0 HG DLE A 4 11.268 -3.988 -5.831 1.00 45.31 H new HETATM 0 HB3 DLE A 4 10.160 -4.911 -7.811 1.00 20.52 H new HETATM 0 HB2 DLE A 4 9.156 -3.479 -7.934 1.00 20.52 H new HETATM 0 HA DLE A 4 9.053 -5.211 -5.468 1.00 53.22 H new HETATM 0 H DLE A 4 7.596 -2.900 -6.201 1.00 4.14 H new HETATM 51 N DPR A 5 8.474 -7.211 -6.996 1.00 33.21 N HETATM 52 CA DPR A 5 7.939 -8.392 -7.690 1.00 43.34 C HETATM 53 CB DPR A 5 8.648 -9.573 -6.982 1.00 43.14 C HETATM 54 CG DPR A 5 9.318 -8.980 -5.788 1.00 22.12 C HETATM 55 CD DPR A 5 9.628 -7.570 -6.158 1.00 2.32 C HETATM 56 C DPR A 5 8.285 -8.382 -9.193 1.00 62.31 C HETATM 57 O DPR A 5 8.783 -7.377 -9.732 1.00 51.43 O HETATM 0 HG3 DPR A 5 8.668 -9.022 -4.914 1.00 22.12 H new HETATM 0 HG2 DPR A 5 10.226 -9.528 -5.537 1.00 22.12 H new HETATM 0 HD3 DPR A 5 10.568 -7.489 -6.703 1.00 2.32 H new HETATM 0 HD2 DPR A 5 9.711 -6.927 -5.282 1.00 2.32 H new HETATM 0 HB3 DPR A 5 7.932 -10.341 -6.689 1.00 43.14 H new HETATM 0 HB2 DPR A 5 9.373 -10.048 -7.643 1.00 43.14 H new HETATM 0 HA DPR A 5 6.851 -8.441 -7.643 1.00 43.34 H new HETATM 65 N DHI A 6 8.022 -9.470 -9.880 1.00 31.32 N HETATM 66 CA DHI A 6 8.364 -9.524 -11.284 1.00 64.23 C HETATM 67 C DHI A 6 9.709 -10.185 -11.423 1.00 1.41 C HETATM 68 O DHI A 6 10.102 -10.972 -10.549 1.00 14.14 O HETATM 69 CB DHI A 6 7.300 -10.258 -12.162 1.00 51.12 C HETATM 70 CG DHI A 6 7.375 -11.774 -12.208 1.00 52.33 C HETATM 71 ND1 DHI A 6 8.121 -12.467 -13.153 1.00 14.11 N HETATM 72 CD2 DHI A 6 6.775 -12.715 -11.457 1.00 21.41 C HETATM 73 CE1 DHI A 6 7.961 -13.755 -12.970 1.00 1.22 C HETATM 74 NE2 DHI A 6 7.154 -13.931 -11.950 1.00 75.41 N HETATM 0 HE2 DHI A 6 6.856 -14.835 -11.583 1.00 75.41 H new HETATM 0 HE1 DHI A 6 8.420 -14.545 -13.564 1.00 1.22 H new HETATM 0 HD2 DHI A 6 6.110 -12.540 -10.612 1.00 21.41 H new HETATM 0 HD1 DHI A 6 8.702 -12.041 -13.875 1.00 14.11 H new HETATM 0 HB3 DHI A 6 6.310 -9.978 -11.801 1.00 51.12 H new HETATM 0 HB2 DHI A 6 7.385 -9.883 -13.182 1.00 51.12 H new HETATM 0 HA DHI A 6 8.392 -8.500 -11.656 1.00 64.23 H new HETATM 83 N DLE A 7 10.420 -9.830 -12.483 1.00 51.12 N HETATM 84 CA DLE A 7 11.706 -10.414 -12.833 1.00 72.44 C HETATM 85 CB DLE A 7 11.557 -11.957 -12.970 1.00 51.13 C HETATM 86 CG DLE A 7 12.704 -12.720 -13.615 1.00 71.12 C HETATM 87 CD1 DLE A 7 12.427 -14.215 -13.582 1.00 32.15 C HETATM 88 CD2 DLE A 7 12.920 -12.257 -15.047 1.00 54.52 C HETATM 89 C DLE A 7 12.748 -10.007 -11.767 1.00 21.34 C HETATM 90 O DLE A 7 13.788 -10.629 -11.602 1.00 63.44 O HETATM 0 HD23 DLE A 7 12.013 -12.430 -15.626 1.00 54.52 H new HETATM 0 HD22 DLE A 7 13.157 -11.193 -15.054 1.00 54.52 H new HETATM 0 HD21 DLE A 7 13.745 -12.816 -15.489 1.00 54.52 H new HETATM 0 HD13 DLE A 7 12.319 -14.542 -12.548 1.00 32.15 H new HETATM 0 HD12 DLE A 7 11.507 -14.427 -14.128 1.00 32.15 H new HETATM 0 HD11 DLE A 7 13.256 -14.749 -14.047 1.00 32.15 H new HETATM 0 HG DLE A 7 13.612 -12.518 -13.048 1.00 71.12 H new HETATM 0 HB3 DLE A 7 11.398 -12.369 -11.974 1.00 51.13 H new HETATM 0 HB2 DLE A 7 10.654 -12.158 -13.546 1.00 51.13 H new HETATM 0 HA DLE A 7 12.055 -10.041 -13.796 1.00 72.44 H new HETATM 102 N DLY A 8 12.472 -8.904 -11.107 1.00 11.11 N HETATM 103 CA DLY A 8 13.297 -8.399 -10.028 1.00 63.55 C HETATM 104 C DLY A 8 13.874 -7.068 -10.497 1.00 22.44 C HETATM 105 O DLY A 8 13.489 -6.600 -11.548 1.00 71.13 O HETATM 106 CB DLY A 8 12.403 -8.171 -8.781 1.00 62.54 C HETATM 107 CG DLY A 8 13.132 -8.033 -7.425 1.00 50.54 C HETATM 108 CD DLY A 8 13.364 -9.384 -6.726 1.00 13.20 C HETATM 109 CE DLY A 8 14.247 -10.338 -7.513 1.00 61.11 C HETATM 110 NZ DLY A 8 14.407 -11.632 -6.826 1.00 2.51 N HETATM 0 HZ2 DLY A 8 14.977 -12.366 -7.247 1.00 2.51 H new HETATM 0 HZ1 DLY A 8 13.948 -11.794 -5.930 1.00 2.51 H new HETATM 0 HG3 DLY A 8 14.093 -7.543 -7.584 1.00 50.54 H new HETATM 0 HG2 DLY A 8 12.549 -7.387 -6.769 1.00 50.54 H new HETATM 0 HE3 DLY A 8 13.815 -10.502 -8.500 1.00 61.11 H new HETATM 0 HE2 DLY A 8 15.226 -9.884 -7.665 1.00 61.11 H new HETATM 0 HD3 DLY A 8 13.817 -9.205 -5.751 1.00 13.20 H new HETATM 0 HD2 DLY A 8 12.400 -9.860 -6.547 1.00 13.20 H new HETATM 0 HB3 DLY A 8 11.813 -7.269 -8.944 1.00 62.54 H new HETATM 0 HB2 DLY A 8 11.701 -9.002 -8.708 1.00 62.54 H new HETATM 0 HA DLY A 8 14.094 -9.097 -9.770 1.00 63.55 H new HETATM 124 N DLE A 9 14.811 -6.503 -9.754 1.00 4.33 N HETATM 125 CA DLE A 9 15.383 -5.176 -10.040 1.00 54.35 C HETATM 126 CB DLE A 9 16.404 -4.774 -8.939 1.00 54.11 C HETATM 127 CG DLE A 9 16.042 -5.047 -7.441 1.00 41.44 C HETATM 128 CD1 DLE A 9 17.146 -4.547 -6.537 1.00 54.12 C HETATM 129 CD2 DLE A 9 14.715 -4.424 -7.017 1.00 11.03 C HETATM 130 C DLE A 9 14.327 -4.057 -10.258 1.00 1.41 C HETATM 131 O DLE A 9 13.155 -4.218 -9.945 1.00 23.34 O HETATM 0 HD23 DLE A 9 14.761 -3.343 -7.151 1.00 11.03 H new HETATM 0 HD22 DLE A 9 13.910 -4.832 -7.628 1.00 11.03 H new HETATM 0 HD21 DLE A 9 14.525 -4.651 -5.968 1.00 11.03 H new HETATM 0 HD13 DLE A 9 18.076 -5.062 -6.779 1.00 54.12 H new HETATM 0 HD12 DLE A 9 17.277 -3.475 -6.682 1.00 54.12 H new HETATM 0 HD11 DLE A 9 16.882 -4.743 -5.498 1.00 54.12 H new HETATM 0 HG DLE A 9 15.933 -6.127 -7.345 1.00 41.44 H new HETATM 0 HB3 DLE A 9 17.340 -5.290 -9.152 1.00 54.11 H new HETATM 0 HB2 DLE A 9 16.598 -3.706 -9.043 1.00 54.11 H new HETATM 0 HA DLE A 9 15.898 -5.274 -10.996 1.00 54.35 H new HETATM 0 H DLE A 9 15.104 -7.016 -8.923 1.00 4.33 H new HETATM 143 N DCY A 10 14.764 -2.951 -10.819 1.00 41.05 N HETATM 144 CA DCY A 10 13.904 -1.801 -11.023 1.00 35.44 C HETATM 145 C DCY A 10 14.001 -0.815 -9.898 1.00 64.32 C HETATM 146 O DCY A 10 14.946 -0.844 -9.087 1.00 3.14 O HETATM 147 CB DCY A 10 14.248 -1.057 -12.295 1.00 3.44 C HETATM 148 SG DCY A 10 13.319 -1.539 -13.772 1.00 40.24 S HETATM 0 HB3 DCY A 10 14.092 0.008 -12.123 1.00 3.44 H new HETATM 0 HB2 DCY A 10 15.310 -1.195 -12.497 1.00 3.44 H new HETATM 0 HA DCY A 10 12.894 -2.208 -11.081 1.00 35.44 H new HETATM 153 N DLY A 11 13.033 0.061 -9.864 1.00 13.51 N HETATM 154 CA DLY A 11 12.979 1.142 -8.946 1.00 65.30 C HETATM 155 C DLY A 11 12.101 2.188 -9.608 1.00 50.01 C HETATM 156 O DLY A 11 12.518 3.319 -9.834 1.00 43.22 O HETATM 157 CB DLY A 11 12.399 0.621 -7.623 1.00 22.34 C HETATM 158 CG DLY A 11 12.424 1.554 -6.416 1.00 4.32 C HETATM 159 CD DLY A 11 11.453 2.709 -6.529 1.00 61.24 C HETATM 160 CE DLY A 11 11.308 3.423 -5.210 1.00 71.43 C HETATM 161 NZ DLY A 11 10.871 2.491 -4.146 1.00 2.41 N HETATM 0 HZ2 DLY A 11 10.730 2.832 -3.195 1.00 2.41 H new HETATM 0 HZ1 DLY A 11 10.711 1.507 -4.364 1.00 2.41 H new HETATM 0 HG3 DLY A 11 12.192 0.981 -5.518 1.00 4.32 H new HETATM 0 HG2 DLY A 11 13.433 1.948 -6.291 1.00 4.32 H new HETATM 0 HE3 DLY A 11 12.259 3.877 -4.932 1.00 71.43 H new HETATM 0 HE2 DLY A 11 10.585 4.233 -5.308 1.00 71.43 H new HETATM 0 HD3 DLY A 11 11.801 3.409 -7.289 1.00 61.24 H new HETATM 0 HD2 DLY A 11 10.481 2.341 -6.856 1.00 61.24 H new HETATM 0 HB3 DLY A 11 11.363 0.334 -7.802 1.00 22.34 H new HETATM 0 HB2 DLY A 11 12.940 -0.287 -7.355 1.00 22.34 H new HETATM 0 HA DLY A 11 13.950 1.578 -8.712 1.00 65.30 H new HETATM 0 H DLY A 11 12.532 0.119 -10.750 1.00 13.51 H new HETATM 175 N DGL A 12 10.910 1.773 -9.974 1.00 74.34 N HETATM 176 CA DGL A 12 9.975 2.607 -10.674 1.00 0.43 C HETATM 177 C DGL A 12 8.923 1.729 -11.282 1.00 65.12 C HETATM 178 O DGL A 12 8.551 0.729 -10.675 1.00 54.44 O HETATM 179 CB DGL A 12 9.340 3.633 -9.722 1.00 3.41 C HETATM 180 CG DGL A 12 8.221 4.466 -10.329 1.00 63.23 C HETATM 181 CD DGL A 12 7.720 5.526 -9.407 1.00 31.41 C HETATM 182 OE1 DGL A 12 8.355 6.601 -9.332 1.00 52.13 O HETATM 183 OE2 DGL A 12 6.691 5.335 -8.769 1.00 24.12 O HETATM 0 HG3 DGL A 12 8.578 4.930 -11.248 1.00 63.23 H new HETATM 0 HG2 DGL A 12 7.395 3.810 -10.603 1.00 63.23 H new HETATM 0 HB3 DGL A 12 8.949 3.106 -8.852 1.00 3.41 H new HETATM 0 HB2 DGL A 12 10.120 4.305 -9.364 1.00 3.41 H new HETATM 0 HA DGL A 12 10.492 3.163 -11.456 1.00 0.43 H new HETATM 0 H DGL A 12 10.780 0.761 -9.960 1.00 74.34 H new HETATM 190 N DSG A 13 8.455 2.090 -12.475 1.00 20.34 N HETATM 191 CA DSG A 13 7.386 1.342 -13.155 1.00 72.12 C HETATM 192 C DSG A 13 6.210 1.154 -12.217 1.00 23.31 C HETATM 193 O DSG A 13 5.772 0.046 -11.969 1.00 63.30 O HETATM 194 CB DSG A 13 6.898 2.074 -14.425 1.00 14.43 C HETATM 195 CG DSG A 13 7.890 2.080 -15.576 1.00 52.44 C HETATM 196 OD1 DSG A 13 8.732 2.968 -15.688 1.00 11.51 O HETATM 197 ND2 DSG A 13 7.786 1.108 -16.448 1.00 2.05 N HETATM 0 HD22 DSG A 13 8.426 1.063 -17.241 1.00 2.05 H new HETATM 0 HD21 DSG A 13 7.065 0.396 -16.334 1.00 2.05 H new HETATM 0 HB3 DSG A 13 5.973 1.608 -14.763 1.00 14.43 H new HETATM 0 HB2 DSG A 13 6.659 3.105 -14.164 1.00 14.43 H new HETATM 0 HA DSG A 13 7.797 0.376 -13.447 1.00 72.12 H new HETATM 0 H2 DSG A 13 9.322 2.303 -12.969 1.00 20.34 H new HETATM 204 N DLY A 14 5.775 2.253 -11.637 1.00 44.23 N HETATM 205 CA DLY A 14 4.638 2.273 -10.729 1.00 10.42 C HETATM 206 C DLY A 14 4.941 1.527 -9.431 1.00 3.34 C HETATM 207 O DLY A 14 4.049 0.942 -8.824 1.00 10.12 O HETATM 208 CB DLY A 14 4.277 3.718 -10.401 1.00 55.32 C HETATM 209 CG DLY A 14 3.814 4.544 -11.596 1.00 34.53 C HETATM 210 CD DLY A 14 3.719 6.031 -11.250 1.00 5.22 C HETATM 211 CE DLY A 14 2.792 6.295 -10.069 1.00 60.00 C HETATM 212 NZ DLY A 14 2.737 7.726 -9.727 1.00 31.14 N HETATM 0 HZ2 DLY A 14 2.153 8.043 -8.954 1.00 31.14 H new HETATM 0 HZ1 DLY A 14 3.283 8.400 -10.264 1.00 31.14 H new HETATM 0 HG3 DLY A 14 4.508 4.406 -12.425 1.00 34.53 H new HETATM 0 HG2 DLY A 14 2.841 4.185 -11.932 1.00 34.53 H new HETATM 0 HE3 DLY A 14 1.790 5.939 -10.307 1.00 60.00 H new HETATM 0 HE2 DLY A 14 3.135 5.727 -9.204 1.00 60.00 H new HETATM 0 HD3 DLY A 14 4.714 6.412 -11.020 1.00 5.22 H new HETATM 0 HD2 DLY A 14 3.361 6.581 -12.120 1.00 5.22 H new HETATM 0 HB3 DLY A 14 3.489 3.720 -9.648 1.00 55.32 H new HETATM 0 HB2 DLY A 14 5.145 4.203 -9.955 1.00 55.32 H new HETATM 0 HA DLY A 14 3.805 1.774 -11.223 1.00 10.42 H new HETATM 226 N DAS A 15 6.201 1.515 -9.036 1.00 31.24 N HETATM 227 CA DAS A 15 6.600 0.922 -7.759 1.00 21.24 C HETATM 228 C DAS A 15 6.855 -0.572 -7.914 1.00 22.51 C HETATM 229 O DAS A 15 7.119 -1.285 -6.948 1.00 11.11 O HETATM 230 CB DAS A 15 7.834 1.633 -7.191 1.00 64.54 C HETATM 231 CG DAS A 15 8.043 1.359 -5.713 1.00 63.12 C HETATM 232 OD1 DAS A 15 7.167 1.729 -4.907 1.00 53.21 O HETATM 233 OD2 DAS A 15 9.102 0.854 -5.318 1.00 44.50 O HETATM 0 HB3 DAS A 15 8.718 1.314 -7.743 1.00 64.54 H new HETATM 0 HB2 DAS A 15 7.732 2.707 -7.346 1.00 64.54 H new HETATM 0 HA DAS A 15 5.781 1.053 -7.052 1.00 21.24 H new HETATM 238 N DCY A 16 6.794 -1.040 -9.127 1.00 1.03 N HETATM 239 CA DCY A 16 6.901 -2.442 -9.394 1.00 15.43 C HETATM 240 C DCY A 16 5.520 -3.000 -9.686 1.00 51.23 C HETATM 241 O DCY A 16 4.765 -2.413 -10.453 1.00 33.21 O HETATM 242 CB DCY A 16 7.855 -2.696 -10.569 1.00 31.13 C HETATM 243 SG DCY A 16 9.563 -2.124 -10.266 1.00 13.53 S HETATM 0 HB3 DCY A 16 7.872 -3.764 -10.787 1.00 31.13 H new HETATM 0 HB2 DCY A 16 7.466 -2.196 -11.456 1.00 31.13 H new HETATM 0 HA DCY A 16 7.312 -2.948 -8.520 1.00 15.43 H new HETATM 248 N DCY A 17 5.189 -4.129 -9.075 1.00 53.22 N HETATM 249 CA DCY A 17 3.893 -4.781 -9.283 1.00 4.51 C HETATM 250 C DCY A 17 3.829 -5.265 -10.719 1.00 70.52 C HETATM 251 O DCY A 17 2.771 -5.294 -11.350 1.00 24.43 O HETATM 252 CB DCY A 17 3.740 -5.983 -8.341 1.00 72.45 C HETATM 253 SG DCY A 17 4.063 -5.636 -6.574 1.00 34.22 S HETATM 0 HB3 DCY A 17 2.727 -6.374 -8.439 1.00 72.45 H new HETATM 0 HB2 DCY A 17 4.418 -6.770 -8.670 1.00 72.45 H new HETATM 0 HA DCY A 17 3.092 -4.071 -9.077 1.00 4.51 H new HETATM 258 N DSN A 18 4.991 -5.603 -11.226 1.00 15.45 N HETATM 259 CA DSN A 18 5.191 -6.049 -12.560 1.00 11.30 C HETATM 260 C DSN A 18 5.017 -4.884 -13.553 1.00 62.32 C HETATM 261 O DSN A 18 4.558 -5.071 -14.698 1.00 52.45 O HETATM 262 CB DSN A 18 6.591 -6.618 -12.589 1.00 12.53 C HETATM 263 OG DSN A 18 7.435 -5.847 -11.717 1.00 54.13 O HETATM 0 HG DSN A 18 7.873 -6.443 -11.074 1.00 54.13 H new HETATM 0 HB3 DSN A 18 6.579 -7.661 -12.273 1.00 12.53 H new HETATM 0 HB2 DSN A 18 6.983 -6.597 -13.606 1.00 12.53 H new HETATM 0 HA DSN A 18 4.461 -6.802 -12.859 1.00 11.30 H new HETATM 269 N DLY A 19 5.385 -3.691 -13.082 1.00 12.14 N HETATM 270 CA DLY A 19 5.273 -2.402 -13.774 1.00 71.33 C HETATM 271 C DLY A 19 6.190 -2.255 -15.019 1.00 24.54 C HETATM 272 O DLY A 19 6.500 -1.134 -15.441 1.00 2.35 O HETATM 273 CB DLY A 19 3.808 -2.094 -14.095 1.00 52.34 C HETATM 274 CG DLY A 19 3.538 -0.654 -14.460 1.00 13.55 C HETATM 275 CD DLY A 19 2.070 -0.433 -14.709 1.00 11.10 C HETATM 276 CE DLY A 19 1.778 1.028 -14.965 1.00 11.51 C HETATM 277 NZ DLY A 19 0.372 1.250 -15.321 1.00 20.55 N HETATM 0 HZ2 DLY A 19 0.039 2.193 -15.520 1.00 20.55 H new HETATM 0 HZ1 DLY A 19 -0.273 0.461 -15.370 1.00 20.55 H new HETATM 0 HG3 DLY A 19 3.878 -0.000 -13.657 1.00 13.55 H new HETATM 0 HG2 DLY A 19 4.107 -0.387 -15.350 1.00 13.55 H new HETATM 0 HE3 DLY A 19 2.024 1.609 -14.076 1.00 11.51 H new HETATM 0 HE2 DLY A 19 2.418 1.391 -15.769 1.00 11.51 H new HETATM 0 HD3 DLY A 19 1.749 -1.027 -15.565 1.00 11.10 H new HETATM 0 HD2 DLY A 19 1.496 -0.777 -13.849 1.00 11.10 H new HETATM 0 HB3 DLY A 19 3.488 -2.731 -14.919 1.00 52.34 H new HETATM 0 HB2 DLY A 19 3.197 -2.358 -13.232 1.00 52.34 H new HETATM 0 HA DLY A 19 5.647 -1.651 -13.078 1.00 71.33 H new HETATM 291 N DLY A 20 6.656 -3.349 -15.566 1.00 32.43 N HETATM 292 CA DLY A 20 7.479 -3.300 -16.761 1.00 32.13 C HETATM 293 C DLY A 20 8.949 -3.176 -16.407 1.00 75.30 C HETATM 294 O DLY A 20 9.683 -4.160 -16.364 1.00 4.43 O HETATM 295 CB DLY A 20 7.227 -4.495 -17.691 1.00 55.03 C HETATM 296 CG DLY A 20 5.812 -4.565 -18.259 1.00 44.14 C HETATM 297 CD DLY A 20 5.634 -5.749 -19.214 1.00 21.30 C HETATM 298 CE DLY A 20 5.744 -7.094 -18.504 1.00 24.04 C HETATM 299 NZ DLY A 20 5.637 -8.225 -19.445 1.00 13.34 N HETATM 0 HZ2 DLY A 20 5.695 -9.183 -19.100 1.00 13.34 H new HETATM 0 HZ1 DLY A 20 5.505 -8.049 -20.441 1.00 13.34 H new HETATM 0 HG3 DLY A 20 5.097 -4.649 -17.441 1.00 44.14 H new HETATM 0 HG2 DLY A 20 5.587 -3.638 -18.786 1.00 44.14 H new HETATM 0 HE3 DLY A 20 6.697 -7.149 -17.977 1.00 24.04 H new HETATM 0 HE2 DLY A 20 4.959 -7.172 -17.752 1.00 24.04 H new HETATM 0 HD3 DLY A 20 4.661 -5.677 -19.700 1.00 21.30 H new HETATM 0 HD2 DLY A 20 6.387 -5.694 -20.000 1.00 21.30 H new HETATM 0 HB3 DLY A 20 7.936 -4.452 -18.518 1.00 55.03 H new HETATM 0 HB2 DLY A 20 7.432 -5.415 -17.144 1.00 55.03 H new HETATM 0 HA DLY A 20 7.188 -2.406 -17.312 1.00 32.13 H new HETATM 313 N DCY A 21 9.347 -1.979 -16.113 1.00 3.22 N HETATM 314 CA DCY A 21 10.699 -1.670 -15.711 1.00 41.21 C HETATM 315 C DCY A 21 11.570 -1.421 -16.944 1.00 50.22 C HETATM 316 O DCY A 21 11.637 -0.308 -17.458 1.00 61.14 O HETATM 317 CB DCY A 21 10.664 -0.442 -14.785 1.00 23.55 C HETATM 318 SG DCY A 21 12.271 0.143 -14.169 1.00 71.32 S HETATM 0 HB3 DCY A 21 10.183 0.377 -15.320 1.00 23.55 H new HETATM 0 HB2 DCY A 21 10.033 -0.677 -13.928 1.00 23.55 H new HETATM 0 HA DCY A 21 11.137 -2.509 -15.169 1.00 41.21 H new HETATM 323 N DLY A 22 12.210 -2.454 -17.432 1.00 5.15 N HETATM 324 CA DLY A 22 12.986 -2.373 -18.668 1.00 1.54 C HETATM 325 C DLY A 22 14.339 -3.008 -18.483 1.00 43.32 C HETATM 326 O DLY A 22 14.541 -3.768 -17.544 1.00 13.53 O HETATM 327 CB DLY A 22 12.286 -3.143 -19.787 1.00 71.52 C HETATM 328 CG DLY A 22 10.945 -2.604 -20.253 1.00 45.32 C HETATM 329 CD DLY A 22 10.282 -3.592 -21.214 1.00 71.52 C HETATM 330 CE DLY A 22 11.172 -3.919 -22.416 1.00 51.24 C HETATM 331 NZ DLY A 22 10.597 -4.983 -23.258 1.00 45.21 N HETATM 0 HZ2 DLY A 22 11.092 -5.296 -24.093 1.00 45.21 H new HETATM 0 HZ1 DLY A 22 9.704 -5.406 -23.006 1.00 45.21 H new HETATM 0 HG3 DLY A 22 10.297 -2.430 -19.394 1.00 45.32 H new HETATM 0 HG2 DLY A 22 11.084 -1.642 -20.747 1.00 45.32 H new HETATM 0 HE3 DLY A 22 11.315 -3.020 -23.016 1.00 51.24 H new HETATM 0 HE2 DLY A 22 12.156 -4.228 -22.064 1.00 51.24 H new HETATM 0 HD3 DLY A 22 10.045 -4.512 -20.679 1.00 71.52 H new HETATM 0 HD2 DLY A 22 9.338 -3.175 -21.566 1.00 71.52 H new HETATM 0 HB3 DLY A 22 12.956 -3.177 -20.646 1.00 71.52 H new HETATM 0 HB2 DLY A 22 12.142 -4.171 -19.454 1.00 71.52 H new HETATM 0 HA DLY A 22 13.083 -1.318 -18.922 1.00 1.54 H new HETATM 0 H DLY A 22 12.611 -2.898 -16.606 1.00 5.15 H new HETATM 345 N DAR A 23 15.244 -2.747 -19.387 1.00 10.02 N HETATM 346 CA DAR A 23 16.534 -3.387 -19.340 1.00 61.45 C HETATM 347 CB DAR A 23 17.678 -2.405 -19.081 1.00 23.24 C HETATM 348 CG DAR A 23 17.923 -1.368 -20.137 1.00 71.10 C HETATM 349 CD DAR A 23 19.057 -0.452 -19.715 1.00 41.33 C HETATM 350 NE DAR A 23 20.271 -1.203 -19.331 1.00 64.30 N HETATM 351 CZ DAR A 23 21.382 -0.653 -18.824 1.00 71.22 C HETATM 352 NH1 DAR A 23 21.461 0.657 -18.649 1.00 1.31 N HETATM 353 NH2 DAR A 23 22.402 -1.426 -18.475 1.00 61.12 N HETATM 354 C DAR A 23 16.748 -4.222 -20.595 1.00 23.24 C HETATM 355 O DAR A 23 16.083 -3.996 -21.613 1.00 2.03 O HETATM 0 HH22 DAR A 23 23.249 -1.009 -18.089 1.00 61.12 H new HETATM 0 HH21 DAR A 23 22.339 -2.437 -18.593 1.00 61.12 H new HETATM 0 HH12 DAR A 23 22.310 1.070 -18.262 1.00 1.31 H new HETATM 0 HH11 DAR A 23 20.673 1.254 -18.901 1.00 1.31 H new HETATM 0 HG3 DAR A 23 18.168 -1.852 -21.083 1.00 71.10 H new HETATM 0 HG2 DAR A 23 17.017 -0.785 -20.303 1.00 71.10 H new HETATM 0 HE DAR A 23 20.262 -2.215 -19.462 1.00 64.30 H new HETATM 0 HD3 DAR A 23 19.296 0.227 -20.533 1.00 41.33 H new HETATM 0 HD2 DAR A 23 18.732 0.162 -18.875 1.00 41.33 H new HETATM 0 HB3 DAR A 23 17.481 -1.893 -18.139 1.00 23.24 H new HETATM 0 HB2 DAR A 23 18.595 -2.978 -18.946 1.00 23.24 H new HETATM 0 HA DAR A 23 16.543 -4.058 -18.481 1.00 61.45 H new HETATM 369 N DAR A 24 17.657 -5.188 -20.505 1.00 33.24 N HETATM 370 CA DAR A 24 17.926 -6.202 -21.555 1.00 44.43 C HETATM 371 CB DAR A 24 18.176 -5.653 -22.990 1.00 74.12 C HETATM 372 CG DAR A 24 19.531 -4.981 -23.214 1.00 41.51 C HETATM 373 CD DAR A 24 19.623 -3.602 -22.605 1.00 43.43 C HETATM 374 NE DAR A 24 18.680 -2.659 -23.230 1.00 63.41 N HETATM 375 CZ DAR A 24 18.931 -1.364 -23.467 1.00 63.22 C HETATM 376 NH1 DAR A 24 20.105 -0.835 -23.151 1.00 64.33 N HETATM 377 NH2 DAR A 24 18.007 -0.608 -24.019 1.00 34.45 N HETATM 378 C DAR A 24 16.850 -7.283 -21.540 1.00 64.03 C HETATM 379 O DAR A 24 15.889 -7.195 -20.767 1.00 32.11 O HETATM 0 HH22 DAR A 24 18.196 0.378 -24.200 1.00 34.45 H new HETATM 0 HH21 DAR A 24 17.102 -1.008 -24.266 1.00 34.45 H new HETATM 0 HH12 DAR A 24 20.286 0.152 -23.336 1.00 64.33 H new HETATM 0 HH11 DAR A 24 20.827 -1.415 -22.723 1.00 64.33 H new HETATM 0 HG3 DAR A 24 20.315 -5.610 -22.792 1.00 41.51 H new HETATM 0 HG2 DAR A 24 19.721 -4.911 -24.285 1.00 41.51 H new HETATM 0 HE DAR A 24 17.766 -3.019 -23.503 1.00 63.41 H new HETATM 0 HD3 DAR A 24 19.419 -3.663 -21.536 1.00 43.43 H new HETATM 0 HD2 DAR A 24 20.640 -3.224 -22.715 1.00 43.43 H new HETATM 0 HB3 DAR A 24 18.078 -6.477 -23.697 1.00 74.12 H new HETATM 0 HB2 DAR A 24 17.391 -4.935 -23.227 1.00 74.12 H new HETATM 0 HA DAR A 24 18.889 -6.636 -21.284 1.00 44.43 H new ATOM 393 N GLY A 25 17.017 -8.304 -22.330 1.00 53.50 N ATOM 394 CA GLY A 25 16.059 -9.385 -22.357 1.00 73.20 C ATOM 395 C GLY A 25 16.413 -10.435 -21.332 1.00 64.52 C ATOM 396 O GLY A 25 17.197 -11.350 -21.616 1.00 20.02 O ATOM 0 H GLY A 25 17.806 -8.416 -22.967 1.00 53.50 H new ATOM 0 HA2 GLY A 25 15.060 -8.997 -22.158 1.00 73.20 H new ATOM 0 HA3 GLY A 25 16.036 -9.832 -23.351 1.00 73.20 H new HETATM 400 N DTH A 26 15.865 -10.300 -20.138 1.00 14.42 N HETATM 401 CA DTH A 26 16.176 -11.208 -19.060 1.00 12.45 C HETATM 402 CB DTH A 26 15.143 -11.085 -17.885 1.00 41.12 C HETATM 403 CG2 DTH A 26 15.133 -9.685 -17.259 1.00 4.02 C HETATM 404 OG1 DTH A 26 13.826 -11.353 -18.392 1.00 24.32 O HETATM 405 C DTH A 26 17.629 -10.992 -18.581 1.00 62.33 C HETATM 406 O DTH A 26 18.393 -11.941 -18.421 1.00 51.44 O HETATM 0 HG23 DTH A 26 16.122 -9.457 -16.862 1.00 4.02 H new HETATM 0 HG22 DTH A 26 14.868 -8.949 -18.018 1.00 4.02 H new HETATM 0 HG21 DTH A 26 14.402 -9.653 -16.451 1.00 4.02 H new HETATM 0 HG1 DTH A 26 13.174 -11.280 -17.664 1.00 24.32 H new HETATM 0 HB DTH A 26 15.436 -11.802 -17.118 1.00 41.12 H new HETATM 0 HA DTH A 26 16.096 -12.228 -19.435 1.00 12.45 H new HETATM 0 H DTH A 26 15.054 -9.685 -20.069 1.00 14.42 H new HETATM 414 N DSG A 27 18.008 -9.742 -18.431 1.00 40.15 N HETATM 415 CA DSG A 27 19.329 -9.335 -18.005 1.00 22.34 C HETATM 416 C DSG A 27 19.543 -7.983 -18.567 1.00 41.44 C HETATM 417 O DSG A 27 18.570 -7.285 -18.831 1.00 11.41 O HETATM 418 CB DSG A 27 19.460 -9.227 -16.461 1.00 32.35 C HETATM 419 CG DSG A 27 19.341 -10.539 -15.721 1.00 32.02 C HETATM 420 OD1 DSG A 27 18.252 -10.945 -15.341 1.00 64.04 O HETATM 421 ND2 DSG A 27 20.446 -11.199 -15.501 1.00 53.54 N HETATM 0 HD22 DSG A 27 20.418 -12.090 -15.005 1.00 53.54 H new HETATM 0 HD21 DSG A 27 21.337 -10.824 -15.825 1.00 53.54 H new HETATM 0 HB3 DSG A 27 20.424 -8.778 -16.223 1.00 32.35 H new HETATM 0 HB2 DSG A 27 18.692 -8.547 -16.092 1.00 32.35 H new HETATM 0 HA DSG A 27 20.052 -10.077 -18.343 1.00 22.34 H new HETATM 0 H DSG A 27 17.442 -9.117 -19.006 1.00 40.15 H new HETATM 428 N DIL A 28 20.784 -7.590 -18.731 1.00 3.44 N HETATM 429 CA DIL A 28 21.133 -6.259 -19.233 1.00 30.40 C HETATM 430 C DIL A 28 20.674 -5.173 -18.236 1.00 43.32 C HETATM 431 O DIL A 28 20.528 -3.994 -18.597 1.00 11.31 O HETATM 432 CB DIL A 28 22.675 -6.116 -19.507 1.00 15.00 C HETATM 433 CG1 DIL A 28 23.526 -5.986 -18.212 1.00 0.15 C HETATM 434 CG2 DIL A 28 22.962 -4.968 -20.451 1.00 33.23 C HETATM 435 CD1 DIL A 28 23.577 -7.218 -17.329 1.00 54.20 C HETATM 0 HG23 DIL A 28 22.456 -5.143 -21.401 1.00 33.23 H new HETATM 0 HG22 DIL A 28 22.600 -4.038 -20.013 1.00 33.23 H new HETATM 0 HG21 DIL A 28 24.036 -4.896 -20.620 1.00 33.23 H new HETATM 0 HG13 DIL A 28 24.545 -5.722 -18.495 1.00 0.15 H new HETATM 0 HG12 DIL A 28 23.134 -5.157 -17.624 1.00 0.15 H new HETATM 0 HD13 DIL A 28 22.569 -7.476 -17.006 1.00 54.20 H new HETATM 0 HD12 DIL A 28 24.002 -8.050 -17.890 1.00 54.20 H new HETATM 0 HD11 DIL A 28 24.197 -7.015 -16.456 1.00 54.20 H new HETATM 0 HB DIL A 28 22.978 -7.049 -19.983 1.00 15.00 H new HETATM 0 HA DIL A 28 20.614 -6.126 -20.182 1.00 30.40 H new HETATM 447 N DGL A 29 20.428 -5.617 -17.011 1.00 72.21 N HETATM 448 CA DGL A 29 20.003 -4.790 -15.914 1.00 54.22 C HETATM 449 C DGL A 29 18.610 -4.230 -16.150 1.00 2.13 C HETATM 450 O DGL A 29 17.778 -4.846 -16.837 1.00 32.43 O HETATM 451 CB DGL A 29 19.925 -5.619 -14.646 1.00 32.31 C HETATM 452 CG DGL A 29 21.179 -6.349 -14.249 1.00 14.20 C HETATM 453 CD DGL A 29 20.968 -7.091 -12.960 1.00 12.43 C HETATM 454 OE1 DGL A 29 21.323 -6.555 -11.892 1.00 1.50 O HETATM 455 OE2 DGL A 29 20.407 -8.200 -12.976 1.00 44.45 O HETATM 0 HG3 DGL A 29 21.465 -7.048 -15.035 1.00 14.20 H new HETATM 0 HG2 DGL A 29 22.000 -5.641 -14.138 1.00 14.20 H new HETATM 0 HB3 DGL A 29 19.637 -4.962 -13.825 1.00 32.31 H new HETATM 0 HB2 DGL A 29 19.126 -6.351 -14.764 1.00 32.31 H new HETATM 0 HA DGL A 29 20.727 -3.980 -15.826 1.00 54.22 H new HETATM 462 N DLY A 30 18.367 -3.086 -15.578 1.00 73.10 N HETATM 463 CA DLY A 30 17.072 -2.462 -15.571 1.00 63.45 C HETATM 464 C DLY A 30 16.264 -3.188 -14.496 1.00 63.53 C HETATM 465 O DLY A 30 16.524 -3.028 -13.281 1.00 4.31 O HETATM 466 CB DLY A 30 17.262 -0.972 -15.232 1.00 55.11 C HETATM 467 CG DLY A 30 16.080 -0.027 -15.454 1.00 41.31 C HETATM 468 CD DLY A 30 15.686 0.083 -16.922 1.00 73.14 C HETATM 469 CE DLY A 30 14.919 1.383 -17.210 1.00 14.01 C HETATM 470 NZ DLY A 30 13.672 1.529 -16.425 1.00 14.43 N HETATM 0 HZ2 DLY A 30 13.089 2.358 -16.543 1.00 14.43 H new HETATM 0 HZ1 DLY A 30 13.396 0.801 -15.767 1.00 14.43 H new HETATM 0 HG3 DLY A 30 15.225 -0.379 -14.877 1.00 41.31 H new HETATM 0 HG2 DLY A 30 16.334 0.963 -15.075 1.00 41.31 H new HETATM 0 HE3 DLY A 30 15.570 2.232 -17.001 1.00 14.01 H new HETATM 0 HE2 DLY A 30 14.675 1.422 -18.272 1.00 14.01 H new HETATM 0 HD3 DLY A 30 16.581 0.044 -17.543 1.00 73.14 H new HETATM 0 HD2 DLY A 30 15.069 -0.772 -17.198 1.00 73.14 H new HETATM 0 HB3 DLY A 30 17.552 -0.903 -14.184 1.00 55.11 H new HETATM 0 HB2 DLY A 30 18.101 -0.600 -15.820 1.00 55.11 H new HETATM 0 HA DLY A 30 16.555 -2.523 -16.529 1.00 63.45 H new HETATM 484 N DAR A 31 15.355 -4.036 -14.929 1.00 70.32 N HETATM 485 CA DAR A 31 14.588 -4.881 -14.033 1.00 3.15 C HETATM 486 CB DAR A 31 15.114 -6.340 -14.086 1.00 44.12 C HETATM 487 CG DAR A 31 16.572 -6.476 -13.662 1.00 50.12 C HETATM 488 CD DAR A 31 17.097 -7.908 -13.734 1.00 14.20 C HETATM 489 NE DAR A 31 16.455 -8.822 -12.772 1.00 70.21 N HETATM 490 CZ DAR A 31 17.125 -9.731 -12.016 1.00 50.25 C HETATM 491 NH1 DAR A 31 18.457 -9.755 -12.003 1.00 4.45 N HETATM 492 NH2 DAR A 31 16.451 -10.598 -11.266 1.00 53.54 N HETATM 493 C DAR A 31 13.104 -4.840 -14.381 1.00 22.51 C HETATM 494 O DAR A 31 12.731 -4.750 -15.565 1.00 42.23 O HETATM 0 HH22 DAR A 31 16.954 -11.280 -10.699 1.00 53.54 H new HETATM 0 HH21 DAR A 31 15.431 -10.581 -11.258 1.00 53.54 H new HETATM 0 HH12 DAR A 31 18.949 -10.442 -11.432 1.00 4.45 H new HETATM 0 HH11 DAR A 31 18.985 -9.086 -12.564 1.00 4.45 H new HETATM 0 HG3 DAR A 31 17.188 -5.840 -14.298 1.00 50.12 H new HETATM 0 HG2 DAR A 31 16.681 -6.108 -12.642 1.00 50.12 H new HETATM 0 HE DAR A 31 15.442 -8.769 -12.667 1.00 70.21 H new HETATM 0 HD3 DAR A 31 16.945 -8.291 -14.743 1.00 14.20 H new HETATM 0 HD2 DAR A 31 18.172 -7.901 -13.554 1.00 14.20 H new HETATM 0 HB3 DAR A 31 14.496 -6.964 -13.440 1.00 44.12 H new HETATM 0 HB2 DAR A 31 15.002 -6.722 -15.101 1.00 44.12 H new HETATM 0 HA DAR A 31 14.710 -4.500 -13.019 1.00 3.15 H new HETATM 508 N DCY A 32 12.280 -4.879 -13.367 1.00 11.32 N HETATM 509 CA DCY A 32 10.846 -4.892 -13.523 1.00 42.14 C HETATM 510 C DCY A 32 10.399 -6.311 -13.787 1.00 14.04 C HETATM 511 O DCY A 32 10.488 -7.175 -12.922 1.00 22.21 O HETATM 512 CB DCY A 32 10.164 -4.316 -12.283 1.00 13.43 C HETATM 513 SG DCY A 32 10.547 -2.556 -11.980 1.00 71.12 S HETATM 0 HB3 DCY A 32 9.085 -4.430 -12.387 1.00 13.43 H new HETATM 0 HB2 DCY A 32 10.464 -4.898 -11.412 1.00 13.43 H new HETATM 0 HA DCY A 32 10.560 -4.265 -14.368 1.00 42.14 H new HETATM 518 N DAR A 33 9.941 -6.543 -14.979 1.00 51.31 N HETATM 519 CA DAR A 33 9.612 -7.859 -15.453 1.00 51.20 C HETATM 520 CB DAR A 33 10.200 -8.076 -16.845 1.00 51.52 C HETATM 521 CG DAR A 33 9.641 -7.162 -17.919 1.00 23.40 C HETATM 522 CD DAR A 33 10.534 -7.152 -19.125 1.00 73.21 C HETATM 523 NE DAR A 33 11.844 -6.581 -18.787 1.00 2.33 N HETATM 524 CZ DAR A 33 12.938 -6.674 -19.531 1.00 54.52 C HETATM 525 NH1 DAR A 33 12.905 -7.288 -20.703 1.00 3.43 N HETATM 526 NH2 DAR A 33 14.070 -6.143 -19.103 1.00 42.34 N HETATM 527 C DAR A 33 8.119 -8.097 -15.428 1.00 74.43 C HETATM 528 O DAR A 33 7.710 -9.215 -15.078 1.00 30.20 O HETATM 529 OXT DAR A 33 7.347 -7.153 -15.685 1.00 0.00 O HETATM 0 HH22 DAR A 33 14.913 -6.213 -19.672 1.00 42.34 H new HETATM 0 HH21 DAR A 33 14.100 -5.664 -18.203 1.00 42.34 H new HETATM 0 HH12 DAR A 33 13.752 -7.354 -21.268 1.00 3.43 H new HETATM 0 HH11 DAR A 33 12.033 -7.695 -21.041 1.00 3.43 H new HETATM 0 HG3 DAR A 33 8.642 -7.494 -18.203 1.00 23.40 H new HETATM 0 HG2 DAR A 33 9.541 -6.150 -17.526 1.00 23.40 H new HETATM 0 HE DAR A 33 11.919 -6.071 -17.907 1.00 2.33 H new HETATM 0 HD3 DAR A 33 10.659 -8.167 -19.501 1.00 73.21 H new HETATM 0 HD2 DAR A 33 10.072 -6.571 -19.923 1.00 73.21 H new HETATM 0 HB3 DAR A 33 11.280 -7.936 -16.794 1.00 51.52 H new HETATM 0 HB2 DAR A 33 10.026 -9.111 -17.141 1.00 51.52 H new HETATM 0 HA DAR A 33 10.056 -8.592 -14.780 1.00 51.20 H new TER 543 DAR A 33