USER MOD reduce.3.24.130724 H: found=0, std=0, add=252, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 278 hydrogens (270 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 2 DAS 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 11 DLY H : 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 H2 : A 13 DSG N : A 12 DGL C :(H bumps) USER MOD NoAdj-H: A 13 DSG H : A 13 DSG N : A 12 DGL C :(H bumps) USER MOD NoAdj-H: A 14 DLY H2 : A 14 DLY N : A 13 DSG C :(H bumps) USER MOD NoAdj-H: A 14 DLY H : A 14 DLY N : A 13 DSG C :(H bumps) USER MOD NoAdj-H: A 15 DAS H2 : A 15 DAS N : A 14 DLY C :(H bumps) USER MOD NoAdj-H: A 15 DAS H : A 15 DAS N : A 14 DLY C :(H bumps) USER MOD NoAdj-H: A 16 DCY H2 : A 16 DCY N : A 15 DAS C :(H bumps) USER MOD NoAdj-H: A 16 DCY H : A 16 DCY N : A 15 DAS C :(H bumps) USER MOD NoAdj-H: A 17 DCY H2 : A 17 DCY N : A 16 DCY C :(H bumps) USER MOD NoAdj-H: A 17 DCY H : A 17 DCY N : A 16 DCY C :(H bumps) USER MOD NoAdj-H: A 18 DSN H2 : A 18 DSN N : A 17 DCY C :(H bumps) USER MOD NoAdj-H: A 18 DSN H : A 18 DSN N : A 17 DCY C :(H bumps) USER MOD NoAdj-H: A 19 DLY H2 : A 19 DLY N : A 18 DSN C :(H bumps) USER MOD NoAdj-H: A 19 DLY H : A 19 DLY N : A 18 DSN C :(H bumps) USER MOD NoAdj-H: A 20 DLY H2 : A 20 DLY N : A 19 DLY C :(H bumps) USER MOD NoAdj-H: A 20 DLY H : A 20 DLY N : A 19 DLY C :(H bumps) USER MOD NoAdj-H: A 21 DCY H2 : A 21 DCY N : A 20 DLY C :(H bumps) USER MOD NoAdj-H: A 21 DCY H : A 21 DCY N : A 20 DLY C :(H bumps) USER MOD NoAdj-H: A 22 DLY H2 : A 22 DLY N : A 21 DCY C :(H bumps) USER MOD NoAdj-H: A 23 DAR H2 : A 23 DAR N : A 22 DLY C :(H bumps) USER MOD NoAdj-H: A 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 28 DIL H : A 28 DIL N : A 27 DSG C :(H bumps) USER MOD NoAdj-H: A 29 DGL HE2 : A 29 DGL OE2 : A 29 DGL CD :(short bond) USER MOD NoAdj-H: A 29 DGL H2 : A 29 DGL N : A 28 DIL C :(H bumps) USER MOD NoAdj-H: A 29 DGL H : A 29 DGL N : A 28 DIL C :(H bumps) USER MOD NoAdj-H: A 30 DLY H2 : A 30 DLY N : A 29 DGL C :(H bumps) USER MOD NoAdj-H: A 30 DLY H : A 30 DLY N : A 29 DGL C :(H bumps) USER MOD NoAdj-H: A 31 DAR H2 : A 31 DAR N : A 30 DLY C :(H bumps) USER MOD NoAdj-H: A 31 DAR H : A 31 DAR N : A 30 DLY C :(H bumps) USER MOD NoAdj-H: A 32 DCY H2 : A 32 DCY N : A 31 DAR C :(H bumps) USER MOD NoAdj-H: A 32 DCY H : A 32 DCY N : A 31 DAR C :(H bumps) USER MOD NoAdj-H: A 33 DAR H2 : A 33 DAR N : A 32 DCY C :(H bumps) USER MOD NoAdj-H: A 33 DAR H : A 33 DAR N : A 32 DCY C :(H bumps) USER MOD Set 1.1: A 18 DSN OG : rot 173:sc= 1.48 USER MOD Set 1.2: A 33 DAR OXT : rot -151:sc= -1.45 USER MOD Single : A 1 GLY N :NH3+ -143:sc= 0.0417 (180deg=0) USER MOD Single : A 2 DAS OD2 : rot 166:sc= 0 USER MOD Single : A 15 DAS OD2 : rot 168:sc= 0 USER MOD Single : A 26 DTH OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.462 -0.739 1.487 1.00 53.34 N ATOM 2 CA GLY A 1 5.700 -1.124 0.834 1.00 2.24 C ATOM 3 C GLY A 1 5.560 -2.444 0.137 1.00 63.13 C ATOM 4 O GLY A 1 4.476 -2.782 -0.348 1.00 65.42 O ATOM 0 H1 GLY A 1 4.332 0.290 1.405 1.00 53.34 H new ATOM 0 H2 GLY A 1 3.664 -1.226 1.032 1.00 53.34 H new ATOM 0 H3 GLY A 1 4.502 -1.004 2.492 1.00 53.34 H new ATOM 0 HA2 GLY A 1 5.987 -0.358 0.113 1.00 2.24 H new ATOM 0 HA3 GLY A 1 6.500 -1.183 1.572 1.00 2.24 H new HETATM 10 N DAS A 2 6.628 -3.205 0.120 1.00 75.34 N HETATM 11 CA DAS A 2 6.671 -4.474 -0.567 1.00 31.51 C HETATM 12 C DAS A 2 7.133 -4.204 -1.985 1.00 44.52 C HETATM 13 O DAS A 2 8.293 -3.800 -2.204 1.00 31.45 O HETATM 14 CB DAS A 2 7.622 -5.448 0.154 1.00 52.23 C HETATM 15 CG DAS A 2 7.654 -6.831 -0.463 1.00 12.23 C HETATM 16 OD1 DAS A 2 8.578 -7.135 -1.229 1.00 75.43 O HETATM 17 OD2 DAS A 2 6.756 -7.659 -0.173 1.00 62.42 O HETATM 0 HD2 DAS A 2 6.785 -8.408 -0.805 1.00 62.42 H new HETATM 0 HB3 DAS A 2 8.629 -5.032 0.146 1.00 52.23 H new HETATM 0 HB2 DAS A 2 7.320 -5.532 1.198 1.00 52.23 H new HETATM 0 HA DAS A 2 5.687 -4.943 -0.576 1.00 31.51 H new HETATM 22 N DCY A 3 6.216 -4.352 -2.924 1.00 35.43 N HETATM 23 CA DCY A 3 6.468 -4.031 -4.318 1.00 23.55 C HETATM 24 C DCY A 3 7.550 -4.913 -4.916 1.00 41.52 C HETATM 25 O DCY A 3 7.716 -6.062 -4.515 1.00 61.04 O HETATM 26 CB DCY A 3 5.164 -4.100 -5.154 1.00 43.40 C HETATM 27 SG DCY A 3 4.300 -5.716 -5.163 1.00 45.33 S HETATM 0 HB3 DCY A 3 4.475 -3.344 -4.778 1.00 43.40 H new HETATM 0 HB2 DCY A 3 5.401 -3.832 -6.183 1.00 43.40 H new HETATM 0 HA DCY A 3 6.834 -3.005 -4.350 1.00 23.55 H new HETATM 32 N DLE A 4 8.297 -4.369 -5.844 1.00 32.12 N HETATM 33 CA DLE A 4 9.352 -5.115 -6.495 1.00 73.21 C HETATM 34 CB DLE A 4 10.332 -4.181 -7.224 1.00 25.44 C HETATM 35 CG DLE A 4 11.408 -3.474 -6.364 1.00 72.23 C HETATM 36 CD1 DLE A 4 12.155 -2.465 -7.186 1.00 53.11 C HETATM 37 CD2 DLE A 4 10.838 -2.811 -5.126 1.00 1.03 C HETATM 38 C DLE A 4 8.739 -6.144 -7.432 1.00 31.12 C HETATM 39 O DLE A 4 7.904 -5.796 -8.271 1.00 75.25 O HETATM 0 HD23 DLE A 4 10.105 -2.060 -5.420 1.00 1.03 H new HETATM 0 HD22 DLE A 4 10.356 -3.562 -4.500 1.00 1.03 H new HETATM 0 HD21 DLE A 4 11.642 -2.333 -4.566 1.00 1.03 H new HETATM 0 HD13 DLE A 4 12.642 -2.966 -8.022 1.00 53.11 H new HETATM 0 HD12 DLE A 4 11.458 -1.718 -7.567 1.00 53.11 H new HETATM 0 HD11 DLE A 4 12.908 -1.977 -6.567 1.00 53.11 H new HETATM 0 HG DLE A 4 12.091 -4.252 -6.023 1.00 72.23 H new HETATM 0 HB3 DLE A 4 10.842 -4.761 -7.994 1.00 25.44 H new HETATM 0 HB2 DLE A 4 9.751 -3.414 -7.735 1.00 25.44 H new HETATM 0 HA DLE A 4 9.936 -5.641 -5.740 1.00 73.21 H new HETATM 0 H DLE A 4 8.277 -3.351 -5.909 1.00 32.12 H new HETATM 51 N DPR A 5 9.113 -7.420 -7.306 1.00 73.44 N HETATM 52 CA DPR A 5 8.490 -8.496 -8.061 1.00 63.10 C HETATM 53 CB DPR A 5 8.986 -9.779 -7.352 1.00 75.35 C HETATM 54 CG DPR A 5 9.721 -9.304 -6.140 1.00 23.41 C HETATM 55 CD DPR A 5 10.203 -7.932 -6.473 1.00 71.25 C HETATM 56 C DPR A 5 8.895 -8.512 -9.536 1.00 3.21 C HETATM 57 O DPR A 5 9.681 -7.679 -10.001 1.00 31.23 O HETATM 0 HG3 DPR A 5 9.068 -9.289 -5.267 1.00 23.41 H new HETATM 0 HG2 DPR A 5 10.555 -9.965 -5.903 1.00 23.41 H new HETATM 0 HD3 DPR A 5 11.152 -7.952 -7.009 1.00 71.25 H new HETATM 0 HD2 DPR A 5 10.354 -7.325 -5.580 1.00 71.25 H new HETATM 0 HB3 DPR A 5 8.151 -10.424 -7.078 1.00 75.35 H new HETATM 0 HB2 DPR A 5 9.638 -10.361 -8.004 1.00 75.35 H new HETATM 0 HA DPR A 5 7.405 -8.389 -8.075 1.00 63.10 H new HETATM 65 N DHI A 6 8.346 -9.450 -10.261 1.00 61.12 N HETATM 66 CA DHI A 6 8.649 -9.599 -11.656 1.00 22.14 C HETATM 67 C DHI A 6 9.987 -10.323 -11.792 1.00 63.21 C HETATM 68 O DHI A 6 10.281 -11.219 -10.996 1.00 71.55 O HETATM 69 CB DHI A 6 7.509 -10.342 -12.411 1.00 63.51 C HETATM 70 CG DHI A 6 7.439 -11.844 -12.231 1.00 73.35 C HETATM 71 ND1 DHI A 6 7.523 -12.713 -13.288 1.00 52.03 N HETATM 72 CD2 DHI A 6 7.296 -12.618 -11.128 1.00 44.10 C HETATM 73 CE1 DHI A 6 7.443 -13.941 -12.858 1.00 22.21 C HETATM 74 NE2 DHI A 6 7.305 -13.916 -11.555 1.00 3.12 N HETATM 0 HE2 DHI A 6 7.218 -14.736 -10.954 1.00 3.12 H new HETATM 0 HE1 DHI A 6 7.484 -14.837 -13.477 1.00 22.21 H new HETATM 0 HD2 DHI A 6 7.194 -12.272 -10.099 1.00 44.10 H new HETATM 0 HD1 DHI A 6 7.632 -12.440 -14.265 1.00 52.03 H new HETATM 0 HB3 DHI A 6 6.557 -9.917 -12.093 1.00 63.51 H new HETATM 0 HB2 DHI A 6 7.613 -10.132 -13.475 1.00 63.51 H new HETATM 0 HA DHI A 6 8.728 -8.615 -12.118 1.00 22.14 H new HETATM 83 N DLE A 7 10.779 -9.901 -12.766 1.00 64.00 N HETATM 84 CA DLE A 7 12.131 -10.417 -13.035 1.00 54.45 C HETATM 85 CB DLE A 7 12.187 -11.959 -13.209 1.00 21.51 C HETATM 86 CG DLE A 7 11.741 -12.553 -14.564 1.00 64.52 C HETATM 87 CD1 DLE A 7 11.913 -14.050 -14.556 1.00 2.22 C HETATM 88 CD2 DLE A 7 10.313 -12.195 -14.914 1.00 52.12 C HETATM 89 C DLE A 7 13.097 -9.943 -11.960 1.00 55.01 C HETATM 90 O DLE A 7 14.154 -10.530 -11.750 1.00 42.11 O HETATM 0 HD23 DLE A 7 9.643 -12.578 -14.144 1.00 52.12 H new HETATM 0 HD22 DLE A 7 10.214 -11.111 -14.975 1.00 52.12 H new HETATM 0 HD21 DLE A 7 10.052 -12.638 -15.875 1.00 52.12 H new HETATM 0 HD13 DLE A 7 12.962 -14.295 -14.387 1.00 2.22 H new HETATM 0 HD12 DLE A 7 11.306 -14.482 -13.760 1.00 2.22 H new HETATM 0 HD11 DLE A 7 11.596 -14.458 -15.516 1.00 2.22 H new HETATM 0 HG DLE A 7 12.379 -12.114 -15.331 1.00 64.52 H new HETATM 0 HB3 DLE A 7 13.213 -12.279 -13.026 1.00 21.51 H new HETATM 0 HB2 DLE A 7 11.570 -12.406 -12.429 1.00 21.51 H new HETATM 0 HA DLE A 7 12.437 -10.007 -13.998 1.00 54.45 H new HETATM 102 N DLY A 8 12.777 -8.823 -11.351 1.00 63.24 N HETATM 103 CA DLY A 8 13.573 -8.305 -10.260 1.00 43.43 C HETATM 104 C DLY A 8 13.911 -6.848 -10.581 1.00 42.54 C HETATM 105 O DLY A 8 13.214 -6.241 -11.379 1.00 12.31 O HETATM 106 CB DLY A 8 12.769 -8.406 -8.955 1.00 14.10 C HETATM 107 CG DLY A 8 13.597 -8.382 -7.677 1.00 14.13 C HETATM 108 CD DLY A 8 14.429 -9.650 -7.533 1.00 55.12 C HETATM 109 CE DLY A 8 15.242 -9.642 -6.251 1.00 4.21 C HETATM 110 NZ DLY A 8 16.037 -10.878 -6.093 1.00 72.42 N HETATM 0 HZ2 DLY A 8 16.630 -11.002 -5.272 1.00 72.42 H new HETATM 0 HZ1 DLY A 8 15.993 -11.607 -6.805 1.00 72.42 H new HETATM 0 HG3 DLY A 8 14.254 -7.512 -7.683 1.00 14.13 H new HETATM 0 HG2 DLY A 8 12.937 -8.277 -6.816 1.00 14.13 H new HETATM 0 HE3 DLY A 8 15.908 -8.779 -6.249 1.00 4.21 H new HETATM 0 HE2 DLY A 8 14.573 -9.529 -5.398 1.00 4.21 H new HETATM 0 HD3 DLY A 8 13.772 -10.520 -7.543 1.00 55.12 H new HETATM 0 HD2 DLY A 8 15.098 -9.746 -8.388 1.00 55.12 H new HETATM 0 HB3 DLY A 8 12.056 -7.582 -8.922 1.00 14.10 H new HETATM 0 HB2 DLY A 8 12.189 -9.329 -8.975 1.00 14.10 H new HETATM 0 HA DLY A 8 14.493 -8.876 -10.136 1.00 43.43 H new HETATM 124 N DLE A 9 14.996 -6.324 -9.995 1.00 20.14 N HETATM 125 CA DLE A 9 15.483 -4.935 -10.240 1.00 64.01 C HETATM 126 CB DLE A 9 16.723 -4.547 -9.349 1.00 42.30 C HETATM 127 CG DLE A 9 16.655 -4.649 -7.776 1.00 22.35 C HETATM 128 CD1 DLE A 9 15.480 -3.915 -7.149 1.00 70.34 C HETATM 129 CD2 DLE A 9 16.731 -6.075 -7.280 1.00 51.11 C HETATM 130 C DLE A 9 14.402 -3.824 -10.202 1.00 4.41 C HETATM 131 O DLE A 9 13.325 -3.992 -9.641 1.00 3.25 O HETATM 0 HD23 DLE A 9 15.897 -6.647 -7.688 1.00 51.11 H new HETATM 0 HD22 DLE A 9 17.671 -6.523 -7.603 1.00 51.11 H new HETATM 0 HD21 DLE A 9 16.680 -6.085 -6.191 1.00 51.11 H new HETATM 0 HD13 DLE A 9 15.539 -2.855 -7.396 1.00 70.34 H new HETATM 0 HD12 DLE A 9 14.547 -4.326 -7.534 1.00 70.34 H new HETATM 0 HD11 DLE A 9 15.510 -4.037 -6.066 1.00 70.34 H new HETATM 0 HG DLE A 9 17.550 -4.127 -7.438 1.00 22.35 H new HETATM 0 HB3 DLE A 9 17.557 -5.169 -9.674 1.00 42.30 H new HETATM 0 HB2 DLE A 9 16.981 -3.516 -9.592 1.00 42.30 H new HETATM 0 HA DLE A 9 15.809 -4.979 -11.279 1.00 64.01 H new HETATM 0 H DLE A 9 15.462 -6.914 -9.306 1.00 20.14 H new HETATM 143 N DCY A 10 14.729 -2.696 -10.793 1.00 3.03 N HETATM 144 CA DCY A 10 13.847 -1.555 -10.835 1.00 40.32 C HETATM 145 C DCY A 10 14.358 -0.486 -9.917 1.00 74.21 C HETATM 146 O DCY A 10 15.519 -0.081 -10.031 1.00 71.32 O HETATM 147 CB DCY A 10 13.843 -0.909 -12.220 1.00 54.44 C HETATM 148 SG DCY A 10 13.307 -1.919 -13.609 1.00 4.40 S HETATM 0 HB3 DCY A 10 13.202 -0.028 -12.178 1.00 54.44 H new HETATM 0 HB2 DCY A 10 14.853 -0.558 -12.430 1.00 54.44 H new HETATM 0 HA DCY A 10 12.856 -1.915 -10.559 1.00 40.32 H new HETATM 153 N DLY A 11 13.557 -0.034 -9.006 1.00 50.13 N HETATM 154 CA DLY A 11 13.938 1.156 -8.282 1.00 61.52 C HETATM 155 C DLY A 11 12.897 2.235 -8.547 1.00 33.32 C HETATM 156 O DLY A 11 13.113 3.410 -8.288 1.00 41.33 O HETATM 157 CB DLY A 11 14.153 0.915 -6.779 1.00 73.41 C HETATM 158 CG DLY A 11 12.900 0.900 -5.898 1.00 12.32 C HETATM 159 CD DLY A 11 13.317 0.931 -4.434 1.00 22.23 C HETATM 160 CE DLY A 11 12.165 1.234 -3.482 1.00 73.40 C HETATM 161 NZ DLY A 11 11.202 0.129 -3.352 1.00 62.31 N HETATM 0 HZ2 DLY A 11 10.393 0.227 -2.739 1.00 62.31 H new HETATM 0 HZ1 DLY A 11 11.344 -0.735 -3.875 1.00 62.31 H new HETATM 0 HG3 DLY A 11 12.269 1.759 -6.127 1.00 12.32 H new HETATM 0 HG2 DLY A 11 12.309 0.007 -6.101 1.00 12.32 H new HETATM 0 HE3 DLY A 11 12.570 1.469 -2.498 1.00 73.40 H new HETATM 0 HE2 DLY A 11 11.640 2.123 -3.831 1.00 73.40 H new HETATM 0 HD3 DLY A 11 13.755 -0.031 -4.168 1.00 22.23 H new HETATM 0 HD2 DLY A 11 14.095 1.683 -4.301 1.00 22.23 H new HETATM 0 HB3 DLY A 11 14.666 -0.039 -6.657 1.00 73.41 H new HETATM 0 HB2 DLY A 11 14.824 1.688 -6.403 1.00 73.41 H new HETATM 0 HA DLY A 11 14.912 1.484 -8.646 1.00 61.52 H new HETATM 175 N DGL A 12 11.782 1.789 -9.106 1.00 40.41 N HETATM 176 CA DGL A 12 10.642 2.594 -9.472 1.00 1.45 C HETATM 177 C DGL A 12 9.643 1.658 -10.140 1.00 15.13 C HETATM 178 O DGL A 12 9.192 0.690 -9.522 1.00 43.44 O HETATM 179 CB DGL A 12 10.038 3.288 -8.224 1.00 62.11 C HETATM 180 CG DGL A 12 8.716 4.019 -8.444 1.00 2.42 C HETATM 181 CD DGL A 12 8.772 5.067 -9.518 1.00 72.14 C HETATM 182 OE1 DGL A 12 9.170 6.211 -9.241 1.00 42.32 O HETATM 183 OE2 DGL A 12 8.380 4.773 -10.654 1.00 31.51 O HETATM 0 HG3 DGL A 12 7.947 3.290 -8.701 1.00 2.42 H new HETATM 0 HG2 DGL A 12 8.411 4.488 -7.508 1.00 2.42 H new HETATM 0 HB3 DGL A 12 9.891 2.536 -7.449 1.00 62.11 H new HETATM 0 HB2 DGL A 12 10.767 4.002 -7.841 1.00 62.11 H new HETATM 0 HA DGL A 12 10.924 3.394 -10.156 1.00 1.45 H new HETATM 0 H DGL A 12 11.789 0.790 -9.314 1.00 40.41 H new HETATM 190 N DSG A 13 9.340 1.927 -11.402 1.00 34.30 N HETATM 191 CA DSG A 13 8.447 1.081 -12.206 1.00 61.23 C HETATM 192 C DSG A 13 7.106 0.833 -11.534 1.00 51.42 C HETATM 193 O DSG A 13 6.661 -0.295 -11.436 1.00 1.45 O HETATM 194 CB DSG A 13 8.273 1.604 -13.665 1.00 22.23 C HETATM 195 CG DSG A 13 7.772 3.057 -13.826 1.00 42.21 C HETATM 196 OD1 DSG A 13 7.026 3.596 -13.009 1.00 22.43 O HETATM 197 ND2 DSG A 13 8.192 3.695 -14.884 1.00 54.24 N HETATM 0 HD22 DSG A 13 7.898 4.658 -15.049 1.00 54.24 H new HETATM 0 HD21 DSG A 13 8.814 3.231 -15.546 1.00 54.24 H new HETATM 0 HB3 DSG A 13 9.233 1.516 -14.175 1.00 22.23 H new HETATM 0 HB2 DSG A 13 7.576 0.944 -14.182 1.00 22.23 H new HETATM 0 HA DSG A 13 8.946 0.114 -12.275 1.00 61.23 H new HETATM 204 N DLY A 14 6.521 1.865 -10.989 1.00 21.30 N HETATM 205 CA DLY A 14 5.215 1.766 -10.361 1.00 15.20 C HETATM 206 C DLY A 14 5.310 1.208 -8.953 1.00 54.14 C HETATM 207 O DLY A 14 4.298 0.939 -8.306 1.00 34.44 O HETATM 208 CB DLY A 14 4.508 3.119 -10.398 1.00 74.34 C HETATM 209 CG DLY A 14 5.246 4.239 -9.678 1.00 52.51 C HETATM 210 CD DLY A 14 4.665 5.601 -10.022 1.00 2.24 C HETATM 211 CE DLY A 14 4.919 5.969 -11.490 1.00 64.13 C HETATM 212 NZ DLY A 14 6.362 6.156 -11.788 1.00 31.20 N HETATM 0 HZ2 DLY A 14 6.660 6.403 -12.732 1.00 31.20 H new HETATM 0 HZ1 DLY A 14 7.055 6.037 -11.049 1.00 31.20 H new HETATM 0 HG3 DLY A 14 5.190 4.080 -8.601 1.00 52.51 H new HETATM 0 HG2 DLY A 14 6.301 4.214 -9.949 1.00 52.51 H new HETATM 0 HE3 DLY A 14 4.517 5.185 -12.132 1.00 64.13 H new HETATM 0 HE2 DLY A 14 4.380 6.886 -11.730 1.00 64.13 H new HETATM 0 HD3 DLY A 14 3.593 5.600 -9.827 1.00 2.24 H new HETATM 0 HD2 DLY A 14 5.106 6.359 -9.375 1.00 2.24 H new HETATM 0 HB3 DLY A 14 4.360 3.409 -11.438 1.00 74.34 H new HETATM 0 HB2 DLY A 14 3.518 3.009 -9.954 1.00 74.34 H new HETATM 0 HA DLY A 14 4.613 1.058 -10.930 1.00 15.20 H new HETATM 226 N DAS A 15 6.520 1.012 -8.494 1.00 64.22 N HETATM 227 CA DAS A 15 6.755 0.417 -7.194 1.00 20.54 C HETATM 228 C DAS A 15 6.934 -1.078 -7.394 1.00 75.51 C HETATM 229 O DAS A 15 6.839 -1.869 -6.473 1.00 61.14 O HETATM 230 CB DAS A 15 7.984 1.031 -6.547 1.00 21.23 C HETATM 231 CG DAS A 15 8.165 0.632 -5.116 1.00 21.23 C HETATM 232 OD1 DAS A 15 9.064 -0.155 -4.813 1.00 52.12 O HETATM 233 OD2 DAS A 15 7.433 1.153 -4.245 1.00 42.23 O HETATM 0 HD2 DAS A 15 7.531 0.665 -3.401 1.00 42.23 H new HETATM 0 HB3 DAS A 15 8.868 0.737 -7.113 1.00 21.23 H new HETATM 0 HB2 DAS A 15 7.913 2.117 -6.607 1.00 21.23 H new HETATM 0 HA DAS A 15 5.912 0.604 -6.529 1.00 20.54 H new HETATM 238 N DCY A 16 7.201 -1.449 -8.624 1.00 33.13 N HETATM 239 CA DCY A 16 7.254 -2.833 -9.018 1.00 45.31 C HETATM 240 C DCY A 16 5.824 -3.336 -9.180 1.00 51.30 C HETATM 241 O DCY A 16 4.993 -2.637 -9.748 1.00 71.35 O HETATM 242 CB DCY A 16 8.017 -2.972 -10.335 1.00 22.10 C HETATM 243 SG DCY A 16 9.726 -2.334 -10.275 1.00 34.42 S HETATM 0 HB3 DCY A 16 8.043 -4.024 -10.619 1.00 22.10 H new HETATM 0 HB2 DCY A 16 7.471 -2.444 -11.117 1.00 22.10 H new HETATM 0 HA DCY A 16 7.772 -3.422 -8.261 1.00 45.31 H new HETATM 248 N DCY A 17 5.550 -4.537 -8.698 1.00 71.14 N HETATM 249 CA DCY A 17 4.202 -5.123 -8.693 1.00 42.32 C HETATM 250 C DCY A 17 3.603 -5.159 -10.107 1.00 4.11 C HETATM 251 O DCY A 17 2.466 -4.765 -10.319 1.00 72.52 O HETATM 252 CB DCY A 17 4.254 -6.560 -8.142 1.00 34.33 C HETATM 253 SG DCY A 17 5.240 -6.792 -6.610 1.00 74.55 S HETATM 0 HB3 DCY A 17 3.234 -6.892 -7.949 1.00 34.33 H new HETATM 0 HB2 DCY A 17 4.661 -7.211 -8.916 1.00 34.33 H new HETATM 0 HA DCY A 17 3.574 -4.498 -8.059 1.00 42.32 H new HETATM 258 N DSN A 18 4.405 -5.587 -11.070 1.00 24.04 N HETATM 259 CA DSN A 18 3.943 -5.749 -12.439 1.00 3.24 C HETATM 260 C DSN A 18 4.199 -4.455 -13.268 1.00 43.23 C HETATM 261 O DSN A 18 3.774 -4.334 -14.419 1.00 11.05 O HETATM 262 CB DSN A 18 4.633 -6.982 -13.023 1.00 71.21 C HETATM 263 OG DSN A 18 4.148 -7.346 -14.303 1.00 1.43 O HETATM 0 HG DSN A 18 4.704 -8.063 -14.672 1.00 1.43 H new HETATM 0 HB3 DSN A 18 5.704 -6.792 -13.089 1.00 71.21 H new HETATM 0 HB2 DSN A 18 4.500 -7.821 -12.340 1.00 71.21 H new HETATM 0 HA DSN A 18 2.865 -5.906 -12.471 1.00 3.24 H new HETATM 269 N DLY A 19 4.918 -3.512 -12.653 1.00 32.14 N HETATM 270 CA DLY A 19 5.153 -2.144 -13.167 1.00 41.12 C HETATM 271 C DLY A 19 6.015 -2.021 -14.474 1.00 54.52 C HETATM 272 O DLY A 19 6.447 -0.919 -14.834 1.00 33.32 O HETATM 273 CB DLY A 19 3.799 -1.406 -13.288 1.00 11.44 C HETATM 274 CG DLY A 19 3.879 0.074 -13.595 1.00 61.13 C HETATM 275 CD DLY A 19 2.504 0.694 -13.600 1.00 3.32 C HETATM 276 CE DLY A 19 2.563 2.195 -13.821 1.00 50.44 C HETATM 277 NZ DLY A 19 1.218 2.803 -13.792 1.00 74.43 N HETATM 0 HZ2 DLY A 19 1.110 3.808 -13.927 1.00 74.43 H new HETATM 0 HZ1 DLY A 19 0.397 2.218 -13.637 1.00 74.43 H new HETATM 0 HG3 DLY A 19 4.504 0.571 -12.853 1.00 61.13 H new HETATM 0 HG2 DLY A 19 4.354 0.224 -14.564 1.00 61.13 H new HETATM 0 HE3 DLY A 19 3.186 2.652 -13.052 1.00 50.44 H new HETATM 0 HE2 DLY A 19 3.036 2.404 -14.780 1.00 50.44 H new HETATM 0 HD3 DLY A 19 1.901 0.235 -14.383 1.00 3.32 H new HETATM 0 HD2 DLY A 19 2.008 0.485 -12.652 1.00 3.32 H new HETATM 0 HB3 DLY A 19 3.213 -1.889 -14.070 1.00 11.44 H new HETATM 0 HB2 DLY A 19 3.252 -1.535 -12.354 1.00 11.44 H new HETATM 0 HA DLY A 19 5.790 -1.660 -12.427 1.00 41.12 H new HETATM 291 N DLY A 20 6.305 -3.106 -15.153 1.00 14.24 N HETATM 292 CA DLY A 20 7.036 -2.981 -16.421 1.00 30.13 C HETATM 293 C DLY A 20 8.529 -3.070 -16.230 1.00 65.11 C HETATM 294 O DLY A 20 9.087 -4.159 -16.159 1.00 25.40 O HETATM 295 CB DLY A 20 6.599 -4.008 -17.458 1.00 73.11 C HETATM 296 CG DLY A 20 5.125 -3.982 -17.786 1.00 1.43 C HETATM 297 CD DLY A 20 4.787 -4.923 -18.940 1.00 44.05 C HETATM 298 CE DLY A 20 5.218 -6.368 -18.683 1.00 41.23 C HETATM 299 NZ DLY A 20 4.683 -6.900 -17.418 1.00 1.41 N HETATM 0 HZ2 DLY A 20 4.900 -7.855 -17.134 1.00 1.41 H new HETATM 0 HZ1 DLY A 20 4.095 -6.313 -16.826 1.00 1.41 H new HETATM 0 HG3 DLY A 20 4.551 -4.266 -16.904 1.00 1.43 H new HETATM 0 HG2 DLY A 20 4.828 -2.966 -18.046 1.00 1.43 H new HETATM 0 HE3 DLY A 20 4.882 -6.996 -19.508 1.00 41.23 H new HETATM 0 HE2 DLY A 20 6.307 -6.421 -18.664 1.00 41.23 H new HETATM 0 HD3 DLY A 20 3.712 -4.897 -19.119 1.00 44.05 H new HETATM 0 HD2 DLY A 20 5.270 -4.562 -19.848 1.00 44.05 H new HETATM 0 HB3 DLY A 20 7.165 -3.843 -18.375 1.00 73.11 H new HETATM 0 HB2 DLY A 20 6.860 -5.003 -17.097 1.00 73.11 H new HETATM 0 HA DLY A 20 6.786 -1.988 -16.796 1.00 30.13 H new HETATM 313 N DCY A 21 9.162 -1.945 -16.120 1.00 60.13 N HETATM 314 CA DCY A 21 10.595 -1.896 -15.989 1.00 62.20 C HETATM 315 C DCY A 21 11.262 -1.828 -17.363 1.00 50.34 C HETATM 316 O DCY A 21 10.840 -1.052 -18.226 1.00 31.30 O HETATM 317 CB DCY A 21 11.005 -0.702 -15.144 1.00 72.25 C HETATM 318 SG DCY A 21 12.799 -0.528 -14.976 1.00 14.14 S HETATM 0 HB3 DCY A 21 10.599 0.206 -15.589 1.00 72.25 H new HETATM 0 HB2 DCY A 21 10.562 -0.797 -14.153 1.00 72.25 H new HETATM 0 HA DCY A 21 10.926 -2.808 -15.493 1.00 62.20 H new HETATM 323 N DLY A 22 12.282 -2.647 -17.575 1.00 41.43 N HETATM 324 CA DLY A 22 13.032 -2.676 -18.836 1.00 62.41 C HETATM 325 C DLY A 22 14.502 -2.935 -18.535 1.00 75.43 C HETATM 326 O DLY A 22 14.819 -3.648 -17.571 1.00 24.01 O HETATM 327 CB DLY A 22 12.524 -3.805 -19.744 1.00 12.44 C HETATM 328 CG DLY A 22 11.082 -3.685 -20.212 1.00 52.45 C HETATM 329 CD DLY A 22 10.611 -4.971 -20.882 1.00 32.52 C HETATM 330 CE DLY A 22 11.391 -5.309 -22.148 1.00 4.54 C HETATM 331 NZ DLY A 22 10.989 -6.624 -22.699 1.00 23.41 N HETATM 0 HZ2 DLY A 22 11.431 -6.978 -23.547 1.00 23.41 H new HETATM 0 HZ1 DLY A 22 10.270 -7.175 -22.230 1.00 23.41 H new HETATM 0 HG3 DLY A 22 10.439 -3.458 -19.362 1.00 52.45 H new HETATM 0 HG2 DLY A 22 10.992 -2.854 -20.911 1.00 52.45 H new HETATM 0 HE3 DLY A 22 11.226 -4.534 -22.896 1.00 4.54 H new HETATM 0 HE2 DLY A 22 12.458 -5.317 -21.928 1.00 4.54 H new HETATM 0 HD3 DLY A 22 10.703 -5.796 -20.175 1.00 32.52 H new HETATM 0 HD2 DLY A 22 9.553 -4.878 -21.128 1.00 32.52 H new HETATM 0 HB3 DLY A 22 13.167 -3.856 -20.622 1.00 12.44 H new HETATM 0 HB2 DLY A 22 12.635 -4.750 -19.212 1.00 12.44 H new HETATM 0 HA DLY A 22 12.899 -1.718 -19.339 1.00 62.41 H new HETATM 0 H DLY A 22 12.768 -2.790 -16.689 1.00 41.43 H new HETATM 345 N DAR A 23 15.392 -2.368 -19.336 1.00 53.13 N HETATM 346 CA DAR A 23 16.824 -2.592 -19.173 1.00 11.41 C HETATM 347 CB DAR A 23 17.675 -1.557 -19.942 1.00 40.11 C HETATM 348 CG DAR A 23 19.154 -1.940 -20.009 1.00 14.32 C HETATM 349 CD DAR A 23 20.038 -0.858 -20.596 1.00 54.05 C HETATM 350 NE DAR A 23 20.225 0.255 -19.668 1.00 54.30 N HETATM 351 CZ DAR A 23 21.367 0.960 -19.526 1.00 55.34 C HETATM 352 NH1 DAR A 23 22.464 0.601 -20.182 1.00 3.12 N HETATM 353 NH2 DAR A 23 21.412 1.997 -18.705 1.00 22.43 N HETATM 354 C DAR A 23 17.205 -4.003 -19.575 1.00 54.13 C HETATM 355 O DAR A 23 17.927 -4.695 -18.850 1.00 42.54 O HETATM 0 HH22 DAR A 23 22.277 2.527 -18.600 1.00 22.43 H new HETATM 0 HH21 DAR A 23 20.582 2.266 -18.177 1.00 22.43 H new HETATM 0 HH12 DAR A 23 23.324 1.138 -20.070 1.00 3.12 H new HETATM 0 HH11 DAR A 23 22.447 -0.212 -20.798 1.00 3.12 H new HETATM 0 HG3 DAR A 23 19.504 -2.178 -19.005 1.00 14.32 H new HETATM 0 HG2 DAR A 23 19.259 -2.846 -20.606 1.00 14.32 H new HETATM 0 HE DAR A 23 19.432 0.519 -19.083 1.00 54.30 H new HETATM 0 HD3 DAR A 23 21.008 -1.282 -20.854 1.00 54.05 H new HETATM 0 HD2 DAR A 23 19.595 -0.489 -21.521 1.00 54.05 H new HETATM 0 HB3 DAR A 23 17.285 -1.453 -20.954 1.00 40.11 H new HETATM 0 HB2 DAR A 23 17.578 -0.584 -19.461 1.00 40.11 H new HETATM 0 HA DAR A 23 17.042 -2.462 -18.113 1.00 11.41 H new HETATM 0 H DAR A 23 15.059 -1.593 -19.910 1.00 53.13 H new HETATM 369 N DAR A 24 16.701 -4.424 -20.706 1.00 13.12 N HETATM 370 CA DAR A 24 17.008 -5.725 -21.237 1.00 22.42 C HETATM 371 CB DAR A 24 16.780 -5.745 -22.754 1.00 50.22 C HETATM 372 CG DAR A 24 17.484 -4.625 -23.512 1.00 60.53 C HETATM 373 CD DAR A 24 18.996 -4.682 -23.367 1.00 43.11 C HETATM 374 NE DAR A 24 19.644 -3.537 -24.024 1.00 43.25 N HETATM 375 CZ DAR A 24 20.921 -3.499 -24.436 1.00 5.33 C HETATM 376 NH1 DAR A 24 21.720 -4.544 -24.244 1.00 43.51 N HETATM 377 NH2 DAR A 24 21.392 -2.412 -25.038 1.00 53.45 N HETATM 378 C DAR A 24 16.106 -6.739 -20.572 1.00 71.23 C HETATM 379 O DAR A 24 14.906 -6.531 -20.478 1.00 5.11 O HETATM 0 HH22 DAR A 24 22.362 -2.382 -25.351 1.00 53.45 H new HETATM 0 HH21 DAR A 24 20.783 -1.607 -25.187 1.00 53.45 H new HETATM 0 HH12 DAR A 24 22.689 -4.509 -24.559 1.00 43.51 H new HETATM 0 HH11 DAR A 24 21.364 -5.380 -23.782 1.00 43.51 H new HETATM 0 HG3 DAR A 24 17.221 -4.685 -24.568 1.00 60.53 H new HETATM 0 HG2 DAR A 24 17.124 -3.663 -23.148 1.00 60.53 H new HETATM 0 HE DAR A 24 19.077 -2.704 -24.179 1.00 43.25 H new HETATM 0 HD3 DAR A 24 19.261 -4.694 -22.310 1.00 43.11 H new HETATM 0 HD2 DAR A 24 19.369 -5.610 -23.800 1.00 43.11 H new HETATM 0 HB3 DAR A 24 17.120 -6.703 -23.148 1.00 50.22 H new HETATM 0 HB2 DAR A 24 15.709 -5.682 -22.949 1.00 50.22 H new HETATM 0 HA DAR A 24 18.053 -5.965 -21.041 1.00 22.42 H new HETATM 0 H DAR A 24 16.383 -3.681 -21.328 1.00 13.12 H new ATOM 393 N GLY A 25 16.673 -7.785 -20.074 1.00 43.02 N ATOM 394 CA GLY A 25 15.906 -8.821 -19.439 1.00 72.25 C ATOM 395 C GLY A 25 16.701 -10.066 -19.407 1.00 35.22 C ATOM 396 O GLY A 25 17.202 -10.500 -20.447 1.00 60.04 O ATOM 0 H GLY A 25 17.679 -7.953 -20.092 1.00 43.02 H new ATOM 0 HA2 GLY A 25 15.637 -8.521 -18.426 1.00 72.25 H new ATOM 0 HA3 GLY A 25 14.975 -8.984 -19.981 1.00 72.25 H new HETATM 400 N DTH A 26 16.844 -10.640 -18.243 1.00 54.15 N HETATM 401 CA DTH A 26 17.713 -11.774 -18.070 1.00 72.42 C HETATM 402 CB DTH A 26 17.442 -12.456 -16.690 1.00 20.31 C HETATM 403 CG2 DTH A 26 17.972 -11.643 -15.514 1.00 62.11 C HETATM 404 OG1 DTH A 26 16.021 -12.620 -16.531 1.00 70.23 O HETATM 405 C DTH A 26 19.173 -11.274 -18.199 1.00 31.23 C HETATM 406 O DTH A 26 20.064 -11.972 -18.682 1.00 11.12 O HETATM 0 HG23 DTH A 26 19.050 -11.516 -15.616 1.00 62.11 H new HETATM 0 HG22 DTH A 26 17.491 -10.665 -15.502 1.00 62.11 H new HETATM 0 HG21 DTH A 26 17.755 -12.166 -14.583 1.00 62.11 H new HETATM 0 HG1 DTH A 26 15.836 -13.049 -15.669 1.00 70.23 H new HETATM 0 HB DTH A 26 17.964 -13.413 -16.689 1.00 20.31 H new HETATM 0 HA DTH A 26 17.527 -12.531 -18.832 1.00 72.42 H new HETATM 0 H DTH A 26 16.177 -10.393 -17.512 1.00 54.15 H new HETATM 414 N DSG A 27 19.353 -10.008 -17.826 1.00 63.13 N HETATM 415 CA DSG A 27 20.600 -9.294 -17.906 1.00 52.42 C HETATM 416 C DSG A 27 20.251 -7.830 -18.066 1.00 53.21 C HETATM 417 O DSG A 27 19.095 -7.445 -17.840 1.00 12.21 O HETATM 418 CB DSG A 27 21.474 -9.466 -16.637 1.00 73.14 C HETATM 419 CG DSG A 27 21.985 -10.877 -16.399 1.00 63.31 C HETATM 420 OD1 DSG A 27 21.329 -11.682 -15.734 1.00 43.14 O HETATM 421 ND2 DSG A 27 23.156 -11.184 -16.899 1.00 71.41 N HETATM 0 HD22 DSG A 27 23.539 -12.120 -16.764 1.00 71.41 H new HETATM 0 HD21 DSG A 27 23.685 -10.487 -17.423 1.00 71.41 H new HETATM 0 HB3 DSG A 27 22.328 -8.793 -16.708 1.00 73.14 H new HETATM 0 HB2 DSG A 27 20.894 -9.154 -15.769 1.00 73.14 H new HETATM 0 HA DSG A 27 21.180 -9.686 -18.742 1.00 52.42 H new HETATM 0 H DSG A 27 18.470 -9.500 -17.880 1.00 63.13 H new HETATM 428 N DIL A 28 21.230 -7.028 -18.406 1.00 53.24 N HETATM 429 CA DIL A 28 21.111 -5.566 -18.617 1.00 35.05 C HETATM 430 C DIL A 28 21.034 -4.812 -17.239 1.00 21.35 C HETATM 431 O DIL A 28 21.387 -3.639 -17.114 1.00 41.14 O HETATM 432 CB DIL A 28 22.377 -5.116 -19.439 1.00 72.15 C HETATM 433 CG1 DIL A 28 23.673 -5.284 -18.612 1.00 45.41 C HETATM 434 CG2 DIL A 28 22.241 -3.713 -20.026 1.00 33.54 C HETATM 435 CD1 DIL A 28 24.945 -4.946 -19.362 1.00 43.11 C HETATM 0 HG23 DIL A 28 21.383 -3.681 -20.697 1.00 33.54 H new HETATM 0 HG22 DIL A 28 22.098 -2.994 -19.220 1.00 33.54 H new HETATM 0 HG21 DIL A 28 23.145 -3.461 -20.581 1.00 33.54 H new HETATM 0 HG13 DIL A 28 23.609 -4.651 -17.727 1.00 45.41 H new HETATM 0 HG12 DIL A 28 23.735 -6.315 -18.263 1.00 45.41 H new HETATM 0 HD13 DIL A 28 25.038 -5.596 -20.232 1.00 43.11 H new HETATM 0 HD12 DIL A 28 24.910 -3.906 -19.688 1.00 43.11 H new HETATM 0 HD11 DIL A 28 25.804 -5.092 -18.707 1.00 43.11 H new HETATM 0 HB DIL A 28 22.447 -5.785 -20.297 1.00 72.15 H new HETATM 0 HA DIL A 28 20.198 -5.324 -19.160 1.00 35.05 H new HETATM 447 N DGL A 29 20.468 -5.480 -16.251 1.00 13.41 N HETATM 448 CA DGL A 29 20.450 -4.992 -14.876 1.00 71.51 C HETATM 449 C DGL A 29 19.270 -4.087 -14.555 1.00 50.31 C HETATM 450 O DGL A 29 19.149 -3.644 -13.413 1.00 10.34 O HETATM 451 CB DGL A 29 20.470 -6.155 -13.901 1.00 45.12 C HETATM 452 CG DGL A 29 21.694 -7.029 -14.013 1.00 1.11 C HETATM 453 CD DGL A 29 21.667 -8.158 -13.028 1.00 75.34 C HETATM 454 OE1 DGL A 29 22.322 -8.063 -11.976 1.00 23.23 O HETATM 455 OE2 DGL A 29 20.989 -9.151 -13.272 1.00 45.32 O HETATM 0 HG3 DGL A 29 21.762 -7.431 -15.024 1.00 1.11 H new HETATM 0 HG2 DGL A 29 22.587 -6.426 -13.849 1.00 1.11 H new HETATM 0 HB3 DGL A 29 20.406 -5.765 -12.885 1.00 45.12 H new HETATM 0 HB2 DGL A 29 19.583 -6.767 -14.064 1.00 45.12 H new HETATM 0 HA DGL A 29 21.349 -4.386 -14.769 1.00 71.51 H new HETATM 462 N DLY A 30 18.415 -3.827 -15.550 1.00 40.22 N HETATM 463 CA DLY A 30 17.224 -2.958 -15.389 1.00 53.42 C HETATM 464 C DLY A 30 16.245 -3.604 -14.391 1.00 22.33 C HETATM 465 O DLY A 30 16.319 -3.385 -13.176 1.00 24.03 O HETATM 466 CB DLY A 30 17.654 -1.528 -14.952 1.00 61.05 C HETATM 467 CG DLY A 30 16.622 -0.408 -15.102 1.00 25.10 C HETATM 468 CD DLY A 30 16.230 -0.207 -16.561 1.00 23.40 C HETATM 469 CE DLY A 30 15.714 1.208 -16.843 1.00 21.32 C HETATM 470 NZ DLY A 30 14.550 1.588 -16.049 1.00 64.33 N HETATM 0 HZ2 DLY A 30 14.133 2.512 -16.165 1.00 64.33 H new HETATM 0 HZ1 DLY A 30 14.153 0.930 -15.378 1.00 64.33 H new HETATM 0 HG3 DLY A 30 15.735 -0.647 -14.515 1.00 25.10 H new HETATM 0 HG2 DLY A 30 17.029 0.520 -14.702 1.00 25.10 H new HETATM 0 HE3 DLY A 30 16.517 1.920 -16.654 1.00 21.32 H new HETATM 0 HE2 DLY A 30 15.460 1.287 -17.900 1.00 21.32 H new HETATM 0 HD3 DLY A 30 17.093 -0.408 -17.196 1.00 23.40 H new HETATM 0 HD2 DLY A 30 15.460 -0.931 -16.830 1.00 23.40 H new HETATM 0 HB3 DLY A 30 17.955 -1.571 -13.905 1.00 61.05 H new HETATM 0 HB2 DLY A 30 18.538 -1.251 -15.527 1.00 61.05 H new HETATM 0 HA DLY A 30 16.708 -2.858 -16.344 1.00 53.42 H new HETATM 484 N DAR A 31 15.357 -4.431 -14.916 1.00 50.11 N HETATM 485 CA DAR A 31 14.446 -5.208 -14.089 1.00 40.11 C HETATM 486 CB DAR A 31 14.801 -6.703 -14.128 1.00 55.10 C HETATM 487 CG DAR A 31 16.165 -7.066 -13.567 1.00 53.15 C HETATM 488 CD DAR A 31 16.327 -8.572 -13.510 1.00 20.42 C HETATM 489 NE DAR A 31 17.643 -8.988 -13.003 1.00 33.40 N HETATM 490 CZ DAR A 31 17.869 -10.098 -12.276 1.00 72.31 C HETATM 491 NH1 DAR A 31 16.862 -10.828 -11.827 1.00 43.34 N HETATM 492 NH2 DAR A 31 19.100 -10.449 -11.987 1.00 32.05 N HETATM 493 C DAR A 31 12.990 -5.042 -14.515 1.00 43.13 C HETATM 494 O DAR A 31 12.685 -4.928 -15.727 1.00 73.51 O HETATM 0 HH22 DAR A 31 19.275 -11.290 -11.436 1.00 32.05 H new HETATM 0 HH21 DAR A 31 19.882 -9.881 -12.313 1.00 32.05 H new HETATM 0 HH12 DAR A 31 17.046 -11.667 -11.277 1.00 43.34 H new HETATM 0 HH11 DAR A 31 15.901 -10.552 -12.031 1.00 43.34 H new HETATM 0 HG3 DAR A 31 16.948 -6.633 -14.189 1.00 53.15 H new HETATM 0 HG2 DAR A 31 16.279 -6.643 -12.569 1.00 53.15 H new HETATM 0 HE DAR A 31 18.443 -8.392 -13.218 1.00 33.40 H new HETATM 0 HD3 DAR A 31 15.549 -8.992 -12.873 1.00 20.42 H new HETATM 0 HD2 DAR A 31 16.180 -8.986 -14.508 1.00 20.42 H new HETATM 0 HB3 DAR A 31 14.041 -7.254 -13.573 1.00 55.10 H new HETATM 0 HB2 DAR A 31 14.750 -7.044 -15.162 1.00 55.10 H new HETATM 0 HA DAR A 31 14.559 -4.825 -13.075 1.00 40.11 H new HETATM 508 N DCY A 32 12.117 -5.040 -13.533 1.00 32.13 N HETATM 509 CA DCY A 32 10.683 -4.989 -13.715 1.00 63.31 C HETATM 510 C DCY A 32 10.186 -6.396 -13.918 1.00 54.21 C HETATM 511 O DCY A 32 10.796 -7.326 -13.417 1.00 32.52 O HETATM 512 CB DCY A 32 10.003 -4.382 -12.481 1.00 73.14 C HETATM 513 SG DCY A 32 10.410 -2.636 -12.156 1.00 22.31 S HETATM 0 HB3 DCY A 32 8.923 -4.471 -12.599 1.00 73.14 H new HETATM 0 HB2 DCY A 32 10.278 -4.972 -11.607 1.00 73.14 H new HETATM 0 HA DCY A 32 10.446 -4.366 -14.578 1.00 63.31 H new HETATM 518 N DAR A 33 9.105 -6.566 -14.661 1.00 10.50 N HETATM 519 CA DAR A 33 8.580 -7.872 -14.964 1.00 64.02 C HETATM 520 CB DAR A 33 9.303 -8.443 -16.169 1.00 33.11 C HETATM 521 CG DAR A 33 8.993 -7.723 -17.460 1.00 4.45 C HETATM 522 CD DAR A 33 10.116 -7.891 -18.419 1.00 21.24 C HETATM 523 NE DAR A 33 11.300 -7.193 -17.911 1.00 42.35 N HETATM 524 CZ DAR A 33 12.470 -7.151 -18.507 1.00 24.20 C HETATM 525 NH1 DAR A 33 12.690 -7.881 -19.576 1.00 2.05 N HETATM 526 NH2 DAR A 33 13.442 -6.402 -18.004 1.00 60.13 N HETATM 527 C DAR A 33 7.104 -7.750 -15.241 1.00 32.33 C HETATM 528 O DAR A 33 6.353 -8.723 -15.032 1.00 50.52 O HETATM 529 OXT DAR A 33 6.661 -6.640 -15.602 1.00 0.00 O HETATM 0 HH22 DAR A 33 14.351 -6.368 -18.466 1.00 60.13 H new HETATM 0 HH21 DAR A 33 13.281 -5.860 -17.155 1.00 60.13 H new HETATM 0 HH12 DAR A 33 13.599 -7.848 -20.038 1.00 2.05 H new HETATM 0 HH11 DAR A 33 11.952 -8.481 -19.944 1.00 2.05 H new HETATM 0 HXT DAR A 33 5.730 -6.548 -15.310 1.00 0.00 H new HETATM 0 HG3 DAR A 33 8.073 -8.115 -17.893 1.00 4.45 H new HETATM 0 HG2 DAR A 33 8.827 -6.664 -17.264 1.00 4.45 H new HETATM 0 HE DAR A 33 11.208 -6.700 -17.023 1.00 42.35 H new HETATM 0 HD3 DAR A 33 10.336 -8.950 -18.556 1.00 21.24 H new HETATM 0 HD2 DAR A 33 9.837 -7.494 -19.395 1.00 21.24 H new HETATM 0 HB3 DAR A 33 10.377 -8.403 -15.990 1.00 33.11 H new HETATM 0 HB2 DAR A 33 9.037 -9.495 -16.277 1.00 33.11 H new HETATM 0 HA DAR A 33 8.732 -8.544 -14.120 1.00 64.02 H new TER 543 DAR A 33