USER MOD reduce.3.24.130724 H: found=0, std=0, add=252, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 278 hydrogens (270 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 2 DAS H2 : A 2 DAS N : A 1 GLY C :(H bumps) USER MOD NoAdj-H: A 2 DAS H : A 2 DAS N : A 1 GLY C :(H bumps) USER MOD NoAdj-H: A 3 DCY H2 : A 3 DCY N : A 2 DAS C :(H bumps) USER MOD NoAdj-H: A 3 DCY H : A 3 DCY N : A 2 DAS C :(H bumps) USER MOD NoAdj-H: A 4 DLE H2 : A 4 DLE N : A 3 DCY C :(H bumps) USER MOD NoAdj-H: A 5 DPR H : A 5 DPR N : A 4 DLE C :(H bumps) USER MOD NoAdj-H: A 6 DHI H2 : A 6 DHI N : A 5 DPR C :(H bumps) USER MOD NoAdj-H: A 6 DHI H : A 6 DHI N : A 5 DPR C :(H bumps) USER MOD NoAdj-H: A 7 DLE H2 : A 7 DLE N : A 6 DHI C :(H bumps) USER MOD NoAdj-H: A 7 DLE H : A 7 DLE N : A 6 DHI C :(H bumps) USER MOD NoAdj-H: A 8 DLY H2 : A 8 DLY N : A 7 DLE C :(H bumps) USER MOD NoAdj-H: A 9 DLE H2 : A 9 DLE N : A 8 DLY C :(H bumps) USER MOD NoAdj-H: A 10 DCY H2 : A 10 DCY N : A 9 DLE C :(H bumps) USER MOD NoAdj-H: A 11 DLY H2 : A 11 DLY N : A 10 DCY C :(H bumps) USER MOD NoAdj-H: A 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 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 DAS OD2 : rot 165:sc= 0 USER MOD Single : A 15 DAS OD2 : rot 180:sc= -0.0699 USER MOD Single : A 18 DSN OG : rot 160:sc= -0.0935 USER MOD Single : A 26 DTH OG1 : rot 180:sc=-0.00126 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.027 3.788 0.229 1.00 30.43 N ATOM 2 CA GLY A 1 5.119 3.288 -1.135 1.00 53.43 C ATOM 3 C GLY A 1 5.787 1.953 -1.152 1.00 43.14 C ATOM 4 O GLY A 1 5.338 1.027 -0.484 1.00 33.52 O ATOM 0 H1 GLY A 1 4.560 4.717 0.227 1.00 30.43 H new ATOM 0 H2 GLY A 1 4.473 3.123 0.806 1.00 30.43 H new ATOM 0 H3 GLY A 1 5.982 3.881 0.630 1.00 30.43 H new ATOM 0 HA2 GLY A 1 4.122 3.209 -1.569 1.00 53.43 H new ATOM 0 HA3 GLY A 1 5.680 3.991 -1.751 1.00 53.43 H new HETATM 10 N DAS A 2 6.869 1.848 -1.873 1.00 64.41 N HETATM 11 CA DAS A 2 7.620 0.612 -1.954 1.00 33.52 C HETATM 12 C DAS A 2 7.849 0.250 -3.380 1.00 71.32 C HETATM 13 O DAS A 2 8.661 0.875 -4.068 1.00 14.13 O HETATM 14 CB DAS A 2 8.974 0.707 -1.224 1.00 44.41 C HETATM 15 CG DAS A 2 8.842 0.793 0.272 1.00 71.41 C HETATM 16 OD1 DAS A 2 8.821 1.916 0.826 1.00 13.53 O HETATM 17 OD2 DAS A 2 8.751 -0.265 0.931 1.00 31.01 O HETATM 0 HD2 DAS A 2 8.909 -0.074 1.879 1.00 31.01 H new HETATM 0 HB3 DAS A 2 9.577 -0.164 -1.478 1.00 44.41 H new HETATM 0 HB2 DAS A 2 9.512 1.584 -1.585 1.00 44.41 H new HETATM 0 HA DAS A 2 7.029 -0.160 -1.462 1.00 33.52 H new HETATM 22 N DCY A 3 7.113 -0.701 -3.856 1.00 23.43 N HETATM 23 CA DCY A 3 7.303 -1.145 -5.197 1.00 11.31 C HETATM 24 C DCY A 3 8.095 -2.439 -5.193 1.00 4.41 C HETATM 25 O DCY A 3 7.908 -3.300 -4.325 1.00 25.24 O HETATM 26 CB DCY A 3 5.969 -1.290 -5.950 1.00 11.21 C HETATM 27 SG DCY A 3 4.815 -2.547 -5.294 1.00 33.51 S HETATM 0 HB3 DCY A 3 5.464 -0.324 -5.945 1.00 11.21 H new HETATM 0 HB2 DCY A 3 6.186 -1.531 -6.991 1.00 11.21 H new HETATM 0 HA DCY A 3 7.872 -0.389 -5.737 1.00 11.31 H new HETATM 32 N DLE A 4 9.011 -2.530 -6.101 1.00 51.32 N HETATM 33 CA DLE A 4 9.844 -3.678 -6.289 1.00 0.54 C HETATM 34 CB DLE A 4 11.183 -3.251 -6.957 1.00 51.02 C HETATM 35 CG DLE A 4 12.245 -2.506 -6.078 1.00 61.30 C HETATM 36 CD1 DLE A 4 13.395 -2.034 -6.933 1.00 43.45 C HETATM 37 CD2 DLE A 4 11.674 -1.324 -5.298 1.00 33.20 C HETATM 38 C DLE A 4 9.078 -4.672 -7.154 1.00 33.42 C HETATM 39 O DLE A 4 8.229 -4.252 -7.972 1.00 43.53 O HETATM 0 HD23 DLE A 4 11.260 -0.595 -5.994 1.00 33.20 H new HETATM 0 HD22 DLE A 4 10.888 -1.675 -4.629 1.00 33.20 H new HETATM 0 HD21 DLE A 4 12.466 -0.857 -4.713 1.00 33.20 H new HETATM 0 HD13 DLE A 4 13.868 -2.891 -7.412 1.00 43.45 H new HETATM 0 HD12 DLE A 4 13.024 -1.351 -7.697 1.00 43.45 H new HETATM 0 HD11 DLE A 4 14.125 -1.518 -6.309 1.00 43.45 H new HETATM 0 HG DLE A 4 12.590 -3.234 -5.344 1.00 61.30 H new HETATM 0 HB3 DLE A 4 11.654 -4.147 -7.360 1.00 51.02 H new HETATM 0 HB2 DLE A 4 10.942 -2.609 -7.804 1.00 51.02 H new HETATM 0 HA DLE A 4 10.091 -4.146 -5.336 1.00 0.54 H new HETATM 0 H DLE A 4 9.337 -1.609 -6.395 1.00 51.32 H new HETATM 51 N DPR A 5 9.331 -5.973 -7.009 1.00 42.13 N HETATM 52 CA DPR A 5 8.560 -6.990 -7.690 1.00 42.43 C HETATM 53 CB DPR A 5 8.795 -8.254 -6.831 1.00 32.53 C HETATM 54 CG DPR A 5 9.758 -7.843 -5.749 1.00 32.42 C HETATM 55 CD DPR A 5 10.406 -6.581 -6.222 1.00 41.04 C HETATM 56 C DPR A 5 9.024 -7.219 -9.127 1.00 72.22 C HETATM 57 O DPR A 5 10.089 -6.744 -9.547 1.00 21.24 O HETATM 0 HG3 DPR A 5 9.237 -7.683 -4.805 1.00 32.42 H new HETATM 0 HG2 DPR A 5 10.502 -8.620 -5.574 1.00 32.42 H new HETATM 0 HD3 DPR A 5 11.293 -6.777 -6.824 1.00 41.04 H new HETATM 0 HD2 DPR A 5 10.717 -5.945 -5.393 1.00 41.04 H new HETATM 0 HB3 DPR A 5 7.860 -8.616 -6.405 1.00 32.53 H new HETATM 0 HB2 DPR A 5 9.206 -9.065 -7.433 1.00 32.53 H new HETATM 0 HA DPR A 5 7.511 -6.709 -7.781 1.00 42.43 H new HETATM 65 N DHI A 6 8.222 -7.932 -9.876 1.00 25.44 N HETATM 66 CA DHI A 6 8.554 -8.239 -11.238 1.00 62.41 C HETATM 67 C DHI A 6 9.473 -9.471 -11.272 1.00 31.40 C HETATM 68 O DHI A 6 9.373 -10.350 -10.399 1.00 44.13 O HETATM 69 CB DHI A 6 7.294 -8.423 -12.117 1.00 62.44 C HETATM 70 CG DHI A 6 6.610 -9.756 -12.024 1.00 72.42 C HETATM 71 ND1 DHI A 6 6.830 -10.742 -12.940 1.00 4.34 N HETATM 72 CD2 DHI A 6 5.709 -10.253 -11.149 1.00 14.52 C HETATM 73 CE1 DHI A 6 6.106 -11.790 -12.648 1.00 35.22 C HETATM 74 NE2 DHI A 6 5.413 -11.523 -11.564 1.00 13.21 N HETATM 0 HE2 DHI A 6 4.760 -12.159 -11.106 1.00 13.21 H new HETATM 0 HE1 DHI A 6 6.081 -12.725 -13.208 1.00 35.22 H new HETATM 0 HD2 DHI A 6 5.297 -9.741 -10.279 1.00 14.52 H new HETATM 0 HD1 DHI A 6 7.465 -10.672 -13.735 1.00 4.34 H new HETATM 0 HB3 DHI A 6 6.574 -7.649 -11.850 1.00 62.44 H new HETATM 0 HB2 DHI A 6 7.574 -8.253 -13.157 1.00 62.44 H new HETATM 0 HA DHI A 6 9.090 -7.393 -11.668 1.00 62.41 H new HETATM 83 N DLE A 7 10.323 -9.517 -12.281 1.00 35.41 N HETATM 84 CA DLE A 7 11.409 -10.487 -12.458 1.00 64.43 C HETATM 85 CB DLE A 7 10.932 -11.944 -12.440 1.00 11.34 C HETATM 86 CG DLE A 7 10.080 -12.362 -13.643 1.00 35.03 C HETATM 87 CD1 DLE A 7 10.891 -12.271 -14.935 1.00 23.31 C HETATM 88 CD2 DLE A 7 9.528 -13.759 -13.454 1.00 71.33 C HETATM 89 C DLE A 7 12.514 -10.201 -11.467 1.00 72.35 C HETATM 90 O DLE A 7 13.316 -11.067 -11.105 1.00 74.13 O HETATM 0 HD23 DLE A 7 10.352 -14.464 -13.346 1.00 71.33 H new HETATM 0 HD22 DLE A 7 8.907 -13.787 -12.558 1.00 71.33 H new HETATM 0 HD21 DLE A 7 8.927 -14.033 -14.321 1.00 71.33 H new HETATM 0 HD13 DLE A 7 11.228 -11.245 -15.081 1.00 23.31 H new HETATM 0 HD12 DLE A 7 11.756 -12.931 -14.869 1.00 23.31 H new HETATM 0 HD11 DLE A 7 10.268 -12.572 -15.777 1.00 23.31 H new HETATM 0 HG DLE A 7 9.238 -11.674 -13.718 1.00 35.03 H new HETATM 0 HB3 DLE A 7 11.804 -12.595 -12.388 1.00 11.34 H new HETATM 0 HB2 DLE A 7 10.355 -12.110 -11.530 1.00 11.34 H new HETATM 0 HA DLE A 7 11.817 -10.360 -13.461 1.00 64.43 H new HETATM 102 N DLY A 8 12.595 -8.939 -11.116 1.00 71.32 N HETATM 103 CA DLY A 8 13.564 -8.397 -10.156 1.00 71.23 C HETATM 104 C DLY A 8 14.032 -7.076 -10.702 1.00 72.05 C HETATM 105 O DLY A 8 13.542 -6.646 -11.732 1.00 43.32 O HETATM 106 CB DLY A 8 12.963 -8.158 -8.732 1.00 52.22 C HETATM 107 CG DLY A 8 12.783 -9.379 -7.800 1.00 52.03 C HETATM 108 CD DLY A 8 11.756 -10.379 -8.305 1.00 31.02 C HETATM 109 CE DLY A 8 11.464 -11.484 -7.294 1.00 3.23 C HETATM 110 NZ DLY A 8 12.667 -12.256 -6.906 1.00 75.02 N HETATM 0 HZ2 DLY A 8 12.588 -13.020 -6.235 1.00 75.02 H new HETATM 0 HZ1 DLY A 8 13.574 -12.024 -7.310 1.00 75.02 H new HETATM 0 HG3 DLY A 8 13.743 -9.883 -7.684 1.00 52.03 H new HETATM 0 HG2 DLY A 8 12.484 -9.031 -6.811 1.00 52.03 H new HETATM 0 HE3 DLY A 8 11.021 -11.042 -6.401 1.00 3.23 H new HETATM 0 HE2 DLY A 8 10.724 -12.165 -7.714 1.00 3.23 H new HETATM 0 HD3 DLY A 8 10.830 -9.855 -8.542 1.00 31.02 H new HETATM 0 HD2 DLY A 8 12.115 -10.826 -9.232 1.00 31.02 H new HETATM 0 HB3 DLY A 8 13.600 -7.438 -8.218 1.00 52.22 H new HETATM 0 HB2 DLY A 8 11.988 -7.688 -8.857 1.00 52.22 H new HETATM 0 HA DLY A 8 14.368 -9.123 -10.039 1.00 71.23 H new HETATM 0 H DLY A 8 12.367 -8.416 -11.961 1.00 71.32 H new HETATM 124 N DLE A 9 14.949 -6.428 -10.025 1.00 52.31 N HETATM 125 CA DLE A 9 15.428 -5.132 -10.475 1.00 11.20 C HETATM 126 CB DLE A 9 16.839 -4.725 -9.910 1.00 3.13 C HETATM 127 CG DLE A 9 17.156 -4.801 -8.378 1.00 63.41 C HETATM 128 CD1 DLE A 9 16.115 -4.141 -7.495 1.00 23.11 C HETATM 129 CD2 DLE A 9 17.465 -6.210 -7.914 1.00 60.24 C HETATM 130 C DLE A 9 14.369 -4.041 -10.273 1.00 21.22 C HETATM 131 O DLE A 9 13.407 -4.230 -9.526 1.00 74.44 O HETATM 0 HD23 DLE A 9 16.607 -6.854 -8.110 1.00 60.24 H new HETATM 0 HD22 DLE A 9 18.333 -6.589 -8.453 1.00 60.24 H new HETATM 0 HD21 DLE A 9 17.677 -6.203 -6.845 1.00 60.24 H new HETATM 0 HD13 DLE A 9 16.036 -3.085 -7.753 1.00 23.11 H new HETATM 0 HD12 DLE A 9 15.150 -4.625 -7.646 1.00 23.11 H new HETATM 0 HD11 DLE A 9 16.410 -4.238 -6.450 1.00 23.11 H new HETATM 0 HG DLE A 9 18.064 -4.210 -8.259 1.00 63.41 H new HETATM 0 HB3 DLE A 9 17.576 -5.347 -10.418 1.00 3.13 H new HETATM 0 HB2 DLE A 9 17.021 -3.696 -10.221 1.00 3.13 H new HETATM 0 HA DLE A 9 15.593 -5.237 -11.547 1.00 11.20 H new HETATM 0 H DLE A 9 15.519 -6.991 -9.394 1.00 52.31 H new HETATM 143 N DCY A 10 14.532 -2.932 -10.934 1.00 44.34 N HETATM 144 CA DCY A 10 13.608 -1.857 -10.822 1.00 31.11 C HETATM 145 C DCY A 10 14.360 -0.578 -10.942 1.00 3.23 C HETATM 146 O DCY A 10 15.438 -0.536 -11.538 1.00 14.33 O HETATM 147 CB DCY A 10 12.527 -1.925 -11.907 1.00 14.45 C HETATM 148 SG DCY A 10 13.141 -1.726 -13.615 1.00 21.42 S HETATM 0 HB3 DCY A 10 12.015 -2.884 -11.830 1.00 14.45 H new HETATM 0 HB2 DCY A 10 11.786 -1.151 -11.710 1.00 14.45 H new HETATM 0 HA DCY A 10 13.107 -1.923 -9.856 1.00 31.11 H new HETATM 0 H DCY A 10 15.524 -2.739 -11.072 1.00 44.34 H new HETATM 153 N DLY A 11 13.840 0.431 -10.342 1.00 55.44 N HETATM 154 CA DLY A 11 14.428 1.729 -10.409 1.00 13.22 C HETATM 155 C DLY A 11 13.612 2.603 -11.353 1.00 54.31 C HETATM 156 O DLY A 11 14.140 3.501 -12.022 1.00 71.43 O HETATM 157 CB DLY A 11 14.390 2.329 -9.027 1.00 52.21 C HETATM 158 CG DLY A 11 14.983 3.723 -8.917 1.00 30.03 C HETATM 159 CD DLY A 11 14.393 4.470 -7.742 1.00 45.21 C HETATM 160 CE DLY A 11 14.652 3.789 -6.412 1.00 64.41 C HETATM 161 NZ DLY A 11 13.865 4.427 -5.344 1.00 12.32 N HETATM 0 HZ2 DLY A 11 13.930 4.081 -4.387 1.00 12.32 H new HETATM 0 HZ1 DLY A 11 13.255 5.215 -5.561 1.00 12.32 H new HETATM 0 HG3 DLY A 11 16.065 3.654 -8.803 1.00 30.03 H new HETATM 0 HG2 DLY A 11 14.794 4.276 -9.837 1.00 30.03 H new HETATM 0 HE3 DLY A 11 14.393 2.733 -6.481 1.00 64.41 H new HETATM 0 HE2 DLY A 11 15.714 3.842 -6.170 1.00 64.41 H new HETATM 0 HD3 DLY A 11 14.808 5.477 -7.714 1.00 45.21 H new HETATM 0 HD2 DLY A 11 13.318 4.572 -7.887 1.00 45.21 H new HETATM 0 HB3 DLY A 11 13.354 2.363 -8.690 1.00 52.21 H new HETATM 0 HB2 DLY A 11 14.925 1.668 -8.345 1.00 52.21 H new HETATM 0 HA DLY A 11 15.454 1.664 -10.772 1.00 13.22 H new HETATM 175 N DGL A 12 12.327 2.318 -11.424 1.00 32.34 N HETATM 176 CA DGL A 12 11.409 3.116 -12.175 1.00 64.01 C HETATM 177 C DGL A 12 10.121 2.325 -12.365 1.00 42.30 C HETATM 178 O DGL A 12 9.894 1.313 -11.655 1.00 42.32 O HETATM 179 CB DGL A 12 11.134 4.420 -11.387 1.00 24.12 C HETATM 180 CG DGL A 12 10.237 5.408 -12.086 1.00 30.01 C HETATM 181 CD DGL A 12 10.760 5.762 -13.432 1.00 25.52 C HETATM 182 OE1 DGL A 12 10.313 5.153 -14.421 1.00 71.54 O HETATM 183 OE2 DGL A 12 11.647 6.616 -13.531 1.00 22.45 O HETATM 0 HG3 DGL A 12 9.236 4.987 -12.183 1.00 30.01 H new HETATM 0 HG2 DGL A 12 10.146 6.310 -11.481 1.00 30.01 H new HETATM 0 HB3 DGL A 12 10.686 4.160 -10.428 1.00 24.12 H new HETATM 0 HB2 DGL A 12 12.086 4.905 -11.172 1.00 24.12 H new HETATM 0 HA DGL A 12 11.819 3.369 -13.153 1.00 64.01 H new HETATM 0 H DGL A 12 12.057 1.384 -11.116 1.00 32.34 H new HETATM 190 N DSG A 13 9.286 2.764 -13.300 1.00 74.34 N HETATM 191 CA DSG A 13 7.988 2.147 -13.549 1.00 11.10 C HETATM 192 C DSG A 13 7.158 2.197 -12.261 1.00 41.42 C HETATM 193 O DSG A 13 6.580 1.210 -11.854 1.00 10.31 O HETATM 194 CB DSG A 13 7.235 2.829 -14.729 1.00 50.32 C HETATM 195 CG DSG A 13 6.675 4.226 -14.422 1.00 1.04 C HETATM 196 OD1 DSG A 13 5.533 4.361 -13.987 1.00 1.14 O HETATM 197 ND2 DSG A 13 7.470 5.253 -14.610 1.00 53.34 N HETATM 0 HD22 DSG A 13 7.137 6.198 -14.418 1.00 53.34 H new HETATM 0 HD21 DSG A 13 8.421 5.107 -14.948 1.00 53.34 H new HETATM 0 HB3 DSG A 13 7.914 2.905 -15.578 1.00 50.32 H new HETATM 0 HB2 DSG A 13 6.412 2.184 -15.036 1.00 50.32 H new HETATM 0 HA DSG A 13 8.145 1.109 -13.843 1.00 11.10 H new HETATM 204 N DLY A 14 7.210 3.337 -11.579 1.00 5.30 N HETATM 205 CA DLY A 14 6.521 3.538 -10.311 1.00 52.34 C HETATM 206 C DLY A 14 7.266 2.919 -9.151 1.00 24.03 C HETATM 207 O DLY A 14 6.791 2.921 -8.011 1.00 50.14 O HETATM 208 CB DLY A 14 6.258 5.023 -10.052 1.00 45.33 C HETATM 209 CG DLY A 14 5.006 5.587 -10.723 1.00 71.11 C HETATM 210 CD DLY A 14 3.729 5.353 -9.882 1.00 32.11 C HETATM 211 CE DLY A 14 3.397 3.877 -9.639 1.00 15.14 C HETATM 212 NZ DLY A 14 2.175 3.688 -8.821 1.00 13.20 N HETATM 0 HZ2 DLY A 14 1.854 2.747 -8.593 1.00 13.20 H new HETATM 0 HZ1 DLY A 14 1.655 4.499 -8.486 1.00 13.20 H new HETATM 0 HG3 DLY A 14 5.137 6.656 -10.890 1.00 71.11 H new HETATM 0 HG2 DLY A 14 4.882 5.125 -11.702 1.00 71.11 H new HETATM 0 HE3 DLY A 14 3.267 3.376 -10.598 1.00 15.14 H new HETATM 0 HE2 DLY A 14 4.240 3.397 -9.141 1.00 15.14 H new HETATM 0 HD3 DLY A 14 3.846 5.851 -8.919 1.00 32.11 H new HETATM 0 HD2 DLY A 14 2.885 5.825 -10.385 1.00 32.11 H new HETATM 0 HB3 DLY A 14 6.176 5.179 -8.976 1.00 45.33 H new HETATM 0 HB2 DLY A 14 7.122 5.594 -10.392 1.00 45.33 H new HETATM 0 HA DLY A 14 5.562 3.027 -10.391 1.00 52.34 H new HETATM 226 N DAS A 15 8.430 2.417 -9.423 1.00 0.30 N HETATM 227 CA DAS A 15 9.194 1.732 -8.416 1.00 22.13 C HETATM 228 C DAS A 15 9.063 0.247 -8.582 1.00 72.41 C HETATM 229 O DAS A 15 9.607 -0.497 -7.823 1.00 53.35 O HETATM 230 CB DAS A 15 10.657 2.188 -8.345 1.00 73.24 C HETATM 231 CG DAS A 15 10.824 3.508 -7.604 1.00 73.32 C HETATM 232 OD1 DAS A 15 10.390 4.559 -8.111 1.00 35.24 O HETATM 233 OD2 DAS A 15 11.401 3.510 -6.495 1.00 73.14 O HETATM 0 HD2 DAS A 15 11.436 4.425 -6.146 1.00 73.14 H new HETATM 0 HB3 DAS A 15 11.249 1.419 -7.849 1.00 73.24 H new HETATM 0 HB2 DAS A 15 11.051 2.291 -9.356 1.00 73.24 H new HETATM 0 HA DAS A 15 8.771 2.005 -7.449 1.00 22.13 H new HETATM 238 N DCY A 16 8.371 -0.176 -9.620 1.00 62.01 N HETATM 239 CA DCY A 16 7.983 -1.576 -9.753 1.00 54.13 C HETATM 240 C DCY A 16 6.480 -1.707 -9.578 1.00 33.44 C HETATM 241 O DCY A 16 5.725 -0.860 -10.048 1.00 63.21 O HETATM 242 CB DCY A 16 8.370 -2.197 -11.103 1.00 22.10 C HETATM 243 SG DCY A 16 7.683 -3.895 -11.293 1.00 44.40 S HETATM 0 HB3 DCY A 16 8.006 -1.564 -11.912 1.00 22.10 H new HETATM 0 HB2 DCY A 16 9.456 -2.232 -11.190 1.00 22.10 H new HETATM 0 HA DCY A 16 8.526 -2.116 -8.978 1.00 54.13 H new HETATM 248 N DCY A 17 6.047 -2.772 -8.933 1.00 3.20 N HETATM 249 CA DCY A 17 4.622 -3.020 -8.714 1.00 51.33 C HETATM 250 C DCY A 17 3.905 -3.218 -10.064 1.00 61.40 C HETATM 251 O DCY A 17 2.817 -2.694 -10.295 1.00 71.23 O HETATM 252 CB DCY A 17 4.425 -4.263 -7.831 1.00 42.11 C HETATM 253 SG DCY A 17 5.357 -4.261 -6.251 1.00 63.34 S HETATM 0 HB3 DCY A 17 3.363 -4.364 -7.607 1.00 42.11 H new HETATM 0 HB2 DCY A 17 4.715 -5.144 -8.403 1.00 42.11 H new HETATM 0 HA DCY A 17 4.193 -2.156 -8.206 1.00 51.33 H new HETATM 258 N DSN A 18 4.564 -3.921 -10.976 1.00 43.21 N HETATM 259 CA DSN A 18 3.997 -4.225 -12.271 1.00 72.31 C HETATM 260 C DSN A 18 4.299 -3.127 -13.314 1.00 60.52 C HETATM 261 O DSN A 18 3.825 -3.211 -14.447 1.00 35.14 O HETATM 262 CB DSN A 18 4.553 -5.560 -12.758 1.00 54.33 C HETATM 263 OG DSN A 18 4.347 -6.588 -11.794 1.00 31.01 O HETATM 0 HG DSN A 18 4.407 -7.463 -12.231 1.00 31.01 H new HETATM 0 HB3 DSN A 18 4.072 -5.836 -13.696 1.00 54.33 H new HETATM 0 HB2 DSN A 18 5.619 -5.459 -12.964 1.00 54.33 H new HETATM 0 HA DSN A 18 2.914 -4.278 -12.158 1.00 72.31 H new HETATM 269 N DLY A 19 5.114 -2.120 -12.928 1.00 31.13 N HETATM 270 CA DLY A 19 5.529 -0.992 -13.823 1.00 53.50 C HETATM 271 C DLY A 19 6.363 -1.413 -15.054 1.00 1.44 C HETATM 272 O DLY A 19 6.822 -0.554 -15.812 1.00 44.43 O HETATM 273 CB DLY A 19 4.333 -0.151 -14.292 1.00 22.03 C HETATM 274 CG DLY A 19 3.657 0.678 -13.211 1.00 13.11 C HETATM 275 CD DLY A 19 2.464 1.449 -13.776 1.00 52.15 C HETATM 276 CE DLY A 19 2.887 2.416 -14.884 1.00 45.43 C HETATM 277 NZ DLY A 19 1.740 3.150 -15.450 1.00 0.11 N HETATM 0 HZ2 DLY A 19 1.887 3.827 -16.198 1.00 0.11 H new HETATM 0 HZ1 DLY A 19 0.800 2.980 -15.093 1.00 0.11 H new HETATM 0 HG3 DLY A 19 3.324 0.026 -12.403 1.00 13.11 H new HETATM 0 HG2 DLY A 19 4.375 1.376 -12.781 1.00 13.11 H new HETATM 0 HE3 DLY A 19 3.611 3.127 -14.486 1.00 45.43 H new HETATM 0 HE2 DLY A 19 3.388 1.861 -15.677 1.00 45.43 H new HETATM 0 HD3 DLY A 19 1.729 0.746 -14.168 1.00 52.15 H new HETATM 0 HD2 DLY A 19 1.977 2.005 -12.974 1.00 52.15 H new HETATM 0 HB3 DLY A 19 4.669 0.519 -15.083 1.00 22.03 H new HETATM 0 HB2 DLY A 19 3.592 -0.818 -14.732 1.00 22.03 H new HETATM 0 HA DLY A 19 6.179 -0.391 -13.187 1.00 53.50 H new HETATM 291 N DLY A 20 6.623 -2.695 -15.210 1.00 22.44 N HETATM 292 CA DLY A 20 7.313 -3.228 -16.400 1.00 44.33 C HETATM 293 C DLY A 20 8.826 -3.099 -16.270 1.00 21.05 C HETATM 294 O DLY A 20 9.567 -4.066 -16.454 1.00 31.13 O HETATM 295 CB DLY A 20 6.932 -4.691 -16.631 1.00 53.30 C HETATM 296 CG DLY A 20 5.460 -4.925 -16.968 1.00 15.44 C HETATM 297 CD DLY A 20 5.151 -6.415 -17.068 1.00 13.23 C HETATM 298 CE DLY A 20 5.900 -7.100 -18.217 1.00 21.34 C HETATM 299 NZ DLY A 20 5.866 -8.573 -18.082 1.00 61.34 N HETATM 0 HZ2 DLY A 20 6.326 -9.160 -18.778 1.00 61.34 H new HETATM 0 HZ1 DLY A 20 5.383 -9.002 -17.293 1.00 61.34 H new HETATM 0 HG3 DLY A 20 4.831 -4.470 -16.202 1.00 15.44 H new HETATM 0 HG2 DLY A 20 5.217 -4.436 -17.911 1.00 15.44 H new HETATM 0 HE3 DLY A 20 5.454 -6.810 -19.168 1.00 21.34 H new HETATM 0 HE2 DLY A 20 6.935 -6.758 -18.233 1.00 21.34 H new HETATM 0 HD3 DLY A 20 5.414 -6.900 -16.128 1.00 13.23 H new HETATM 0 HD2 DLY A 20 4.078 -6.551 -17.207 1.00 13.23 H new HETATM 0 HB3 DLY A 20 7.543 -5.087 -17.442 1.00 53.30 H new HETATM 0 HB2 DLY A 20 7.180 -5.262 -15.736 1.00 53.30 H new HETATM 0 HA DLY A 20 6.993 -2.637 -17.258 1.00 44.33 H new HETATM 313 N DCY A 21 9.260 -1.905 -15.989 1.00 32.35 N HETATM 314 CA DCY A 21 10.646 -1.600 -15.768 1.00 42.32 C HETATM 315 C DCY A 21 11.344 -1.363 -17.110 1.00 25.34 C HETATM 316 O DCY A 21 11.041 -0.397 -17.820 1.00 33.23 O HETATM 317 CB DCY A 21 10.738 -0.356 -14.864 1.00 14.55 C HETATM 318 SG DCY A 21 12.402 0.054 -14.242 1.00 54.23 S HETATM 0 HB3 DCY A 21 10.357 0.501 -15.419 1.00 14.55 H new HETATM 0 HB2 DCY A 21 10.077 -0.502 -14.009 1.00 14.55 H new HETATM 0 HA DCY A 21 11.146 -2.434 -15.275 1.00 42.32 H new HETATM 323 N DLY A 22 12.203 -2.280 -17.471 1.00 24.42 N HETATM 324 CA DLY A 22 13.002 -2.236 -18.692 1.00 2.35 C HETATM 325 C DLY A 22 14.370 -2.759 -18.325 1.00 61.42 C HETATM 326 O DLY A 22 14.709 -2.746 -17.171 1.00 40.42 O HETATM 327 CB DLY A 22 12.377 -3.110 -19.798 1.00 1.02 C HETATM 328 CG DLY A 22 11.078 -2.566 -20.383 1.00 1.02 C HETATM 329 CD DLY A 22 10.587 -3.400 -21.566 1.00 42.11 C HETATM 330 CE DLY A 22 11.574 -3.384 -22.736 1.00 12.34 C HETATM 331 NZ DLY A 22 11.071 -4.152 -23.890 1.00 35.12 N HETATM 0 HZ2 DLY A 22 11.632 -4.223 -24.739 1.00 35.12 H new HETATM 0 HZ1 DLY A 22 10.162 -4.612 -23.839 1.00 35.12 H new HETATM 0 HG3 DLY A 22 10.311 -2.549 -19.609 1.00 1.02 H new HETATM 0 HG2 DLY A 22 11.229 -1.535 -20.704 1.00 1.02 H new HETATM 0 HE3 DLY A 22 11.761 -2.354 -23.039 1.00 12.34 H new HETATM 0 HE2 DLY A 22 12.528 -3.799 -22.412 1.00 12.34 H new HETATM 0 HD3 DLY A 22 10.428 -4.428 -21.242 1.00 42.11 H new HETATM 0 HD2 DLY A 22 9.623 -3.019 -21.902 1.00 42.11 H new HETATM 0 HB3 DLY A 22 13.102 -3.226 -20.604 1.00 1.02 H new HETATM 0 HB2 DLY A 22 12.189 -4.104 -19.393 1.00 1.02 H new HETATM 0 HA DLY A 22 13.052 -1.220 -19.082 1.00 2.35 H new HETATM 0 H DLY A 22 12.616 -2.622 -16.603 1.00 24.42 H new HETATM 345 N DAR A 23 15.159 -3.194 -19.267 1.00 43.10 N HETATM 346 CA DAR A 23 16.433 -3.777 -18.921 1.00 31.34 C HETATM 347 CB DAR A 23 17.556 -2.726 -18.844 1.00 55.34 C HETATM 348 CG DAR A 23 17.902 -2.020 -20.133 1.00 70.22 C HETATM 349 CD DAR A 23 18.940 -0.935 -19.881 1.00 53.43 C HETATM 350 NE DAR A 23 20.115 -1.441 -19.141 1.00 11.50 N HETATM 351 CZ DAR A 23 21.117 -0.685 -18.657 1.00 23.32 C HETATM 352 NH1 DAR A 23 21.146 0.627 -18.879 1.00 42.24 N HETATM 353 NH2 DAR A 23 22.087 -1.256 -17.953 1.00 34.35 N HETATM 354 C DAR A 23 16.767 -4.935 -19.849 1.00 51.42 C HETATM 355 O DAR A 23 16.133 -5.087 -20.898 1.00 5.02 O HETATM 0 HH22 DAR A 23 22.850 -0.689 -17.583 1.00 34.35 H new HETATM 0 HH21 DAR A 23 22.069 -2.261 -17.782 1.00 34.35 H new HETATM 0 HH12 DAR A 23 21.911 1.190 -18.507 1.00 42.24 H new HETATM 0 HH11 DAR A 23 20.404 1.069 -19.421 1.00 42.24 H new HETATM 0 HG3 DAR A 23 18.286 -2.739 -20.857 1.00 70.22 H new HETATM 0 HG2 DAR A 23 17.004 -1.580 -20.566 1.00 70.22 H new HETATM 0 HE DAR A 23 20.171 -2.447 -18.984 1.00 11.50 H new HETATM 0 HD3 DAR A 23 19.266 -0.519 -20.834 1.00 53.43 H new HETATM 0 HD2 DAR A 23 18.482 -0.122 -19.318 1.00 53.43 H new HETATM 0 HB3 DAR A 23 17.271 -1.974 -18.108 1.00 55.34 H new HETATM 0 HB2 DAR A 23 18.456 -3.214 -18.469 1.00 55.34 H new HETATM 0 HA DAR A 23 16.350 -4.186 -17.914 1.00 31.34 H new HETATM 369 N DAR A 24 17.761 -5.739 -19.448 1.00 1.33 N HETATM 370 CA DAR A 24 18.178 -6.982 -20.147 1.00 55.41 C HETATM 371 CB DAR A 24 18.429 -6.854 -21.683 1.00 43.23 C HETATM 372 CG DAR A 24 19.732 -6.167 -22.115 1.00 24.01 C HETATM 373 CD DAR A 24 19.741 -4.683 -21.843 1.00 5.24 C HETATM 374 NE DAR A 24 20.998 -4.051 -22.282 1.00 30.45 N HETATM 375 CZ DAR A 24 21.132 -2.777 -22.692 1.00 52.51 C HETATM 376 NH1 DAR A 24 20.058 -2.051 -23.016 1.00 21.54 N HETATM 377 NH2 DAR A 24 22.346 -2.272 -22.873 1.00 15.14 N HETATM 378 C DAR A 24 17.212 -8.129 -19.866 1.00 11.01 C HETATM 379 O DAR A 24 15.991 -7.981 -19.977 1.00 71.12 O HETATM 0 HH22 DAR A 24 22.456 -1.307 -23.184 1.00 15.14 H new HETATM 0 HH21 DAR A 24 23.169 -2.849 -22.701 1.00 15.14 H new HETATM 0 HH12 DAR A 24 20.170 -1.086 -23.326 1.00 21.54 H new HETATM 0 HH11 DAR A 24 19.127 -2.462 -22.953 1.00 21.54 H new HETATM 0 HG3 DAR A 24 20.569 -6.630 -21.593 1.00 24.01 H new HETATM 0 HG2 DAR A 24 19.888 -6.335 -23.181 1.00 24.01 H new HETATM 0 HE DAR A 24 21.838 -4.629 -22.274 1.00 30.45 H new HETATM 0 HD3 DAR A 24 18.901 -4.215 -22.356 1.00 5.24 H new HETATM 0 HD2 DAR A 24 19.600 -4.509 -20.776 1.00 5.24 H new HETATM 0 HB3 DAR A 24 18.413 -7.855 -22.115 1.00 43.23 H new HETATM 0 HB2 DAR A 24 17.594 -6.305 -22.119 1.00 43.23 H new HETATM 0 HA DAR A 24 19.157 -7.199 -19.719 1.00 55.41 H new ATOM 393 N GLY A 25 17.762 -9.250 -19.499 1.00 23.41 N ATOM 394 CA GLY A 25 16.981 -10.415 -19.197 1.00 3.44 C ATOM 395 C GLY A 25 17.767 -11.338 -18.321 1.00 53.44 C ATOM 396 O GLY A 25 18.683 -12.018 -18.787 1.00 64.32 O ATOM 0 H GLY A 25 18.769 -9.383 -19.400 1.00 23.41 H new ATOM 0 HA2 GLY A 25 16.056 -10.125 -18.698 1.00 3.44 H new ATOM 0 HA3 GLY A 25 16.700 -10.925 -20.119 1.00 3.44 H new HETATM 400 N DTH A 26 17.449 -11.339 -17.052 1.00 22.12 N HETATM 401 CA DTH A 26 18.176 -12.110 -16.082 1.00 14.12 C HETATM 402 CB DTH A 26 17.278 -12.330 -14.838 1.00 42.10 C HETATM 403 CG2 DTH A 26 18.014 -13.010 -13.684 1.00 2.12 C HETATM 404 OG1 DTH A 26 16.741 -11.082 -14.406 1.00 53.04 O HETATM 405 C DTH A 26 19.502 -11.385 -15.743 1.00 71.22 C HETATM 406 O DTH A 26 20.474 -11.989 -15.260 1.00 14.51 O HETATM 0 HG23 DTH A 26 18.376 -13.986 -14.008 1.00 2.12 H new HETATM 0 HG22 DTH A 26 18.859 -12.393 -13.378 1.00 2.12 H new HETATM 0 HG21 DTH A 26 17.333 -13.137 -12.842 1.00 2.12 H new HETATM 0 HG1 DTH A 26 16.173 -11.225 -13.621 1.00 53.04 H new HETATM 0 HB DTH A 26 16.474 -13.002 -15.138 1.00 42.10 H new HETATM 0 HA DTH A 26 18.437 -13.092 -16.476 1.00 14.12 H new HETATM 0 H DTH A 26 16.496 -11.035 -16.852 1.00 22.12 H new HETATM 414 N DSG A 27 19.536 -10.097 -16.046 1.00 71.42 N HETATM 415 CA DSG A 27 20.712 -9.272 -15.864 1.00 10.11 C HETATM 416 C DSG A 27 20.513 -8.028 -16.728 1.00 72.34 C HETATM 417 O DSG A 27 19.376 -7.711 -17.098 1.00 20.24 O HETATM 418 CB DSG A 27 20.902 -8.904 -14.371 1.00 43.33 C HETATM 419 CG DSG A 27 22.319 -8.431 -14.011 1.00 45.45 C HETATM 420 OD1 DSG A 27 23.026 -7.824 -14.818 1.00 4.52 O HETATM 421 ND2 DSG A 27 22.744 -8.720 -12.807 1.00 62.05 N HETATM 0 HD22 DSG A 27 23.677 -8.431 -12.512 1.00 62.05 H new HETATM 0 HD21 DSG A 27 22.142 -9.234 -12.163 1.00 62.05 H new HETATM 0 HB3 DSG A 27 20.192 -8.119 -14.109 1.00 43.33 H new HETATM 0 HB2 DSG A 27 20.656 -9.773 -13.761 1.00 43.33 H new HETATM 0 HA DSG A 27 21.615 -9.803 -16.164 1.00 10.11 H new HETATM 0 H DSG A 27 18.787 -9.787 -16.665 1.00 71.42 H new HETATM 428 N DIL A 28 21.586 -7.337 -17.032 1.00 74.02 N HETATM 429 CA DIL A 28 21.577 -6.177 -17.925 1.00 43.53 C HETATM 430 C DIL A 28 21.062 -4.897 -17.222 1.00 43.23 C HETATM 431 O DIL A 28 20.793 -3.875 -17.868 1.00 41.00 O HETATM 432 CB DIL A 28 22.994 -6.007 -18.630 1.00 23.53 C HETATM 433 CG1 DIL A 28 24.191 -5.901 -17.634 1.00 51.11 C HETATM 434 CG2 DIL A 28 23.022 -4.875 -19.651 1.00 30.23 C HETATM 435 CD1 DIL A 28 24.272 -4.636 -16.805 1.00 11.10 C HETATM 0 HG23 DIL A 28 22.287 -5.071 -20.431 1.00 30.23 H new HETATM 0 HG22 DIL A 28 22.784 -3.933 -19.157 1.00 30.23 H new HETATM 0 HG21 DIL A 28 24.015 -4.811 -20.096 1.00 30.23 H new HETATM 0 HG13 DIL A 28 24.145 -6.752 -16.954 1.00 51.11 H new HETATM 0 HG12 DIL A 28 25.116 -5.996 -18.202 1.00 51.11 H new HETATM 0 HD13 DIL A 28 24.358 -3.773 -17.465 1.00 11.10 H new HETATM 0 HD12 DIL A 28 23.372 -4.540 -16.198 1.00 11.10 H new HETATM 0 HD11 DIL A 28 25.145 -4.683 -16.154 1.00 11.10 H new HETATM 0 HB DIL A 28 23.133 -6.940 -19.176 1.00 23.53 H new HETATM 0 HA DIL A 28 20.855 -6.358 -18.721 1.00 43.53 H new HETATM 447 N DGL A 29 20.899 -4.986 -15.908 1.00 40.11 N HETATM 448 CA DGL A 29 20.384 -3.890 -15.072 1.00 74.44 C HETATM 449 C DGL A 29 18.924 -3.605 -15.432 1.00 64.12 C HETATM 450 O DGL A 29 18.307 -4.376 -16.186 1.00 44.53 O HETATM 451 CB DGL A 29 20.414 -4.320 -13.602 1.00 54.20 C HETATM 452 CG DGL A 29 21.750 -4.821 -13.099 1.00 11.42 C HETATM 453 CD DGL A 29 21.675 -5.269 -11.662 1.00 72.45 C HETATM 454 OE1 DGL A 29 21.076 -6.333 -11.390 1.00 3.30 O HETATM 455 OE2 DGL A 29 22.222 -4.579 -10.782 1.00 65.15 O HETATM 0 HG3 DGL A 29 22.085 -5.651 -13.721 1.00 11.42 H new HETATM 0 HG2 DGL A 29 22.494 -4.030 -13.195 1.00 11.42 H new HETATM 0 HB3 DGL A 29 20.108 -3.474 -12.987 1.00 54.20 H new HETATM 0 HB2 DGL A 29 19.672 -5.105 -13.456 1.00 54.20 H new HETATM 0 HA DGL A 29 21.000 -3.006 -15.237 1.00 74.44 H new HETATM 462 N DLY A 30 18.366 -2.527 -14.897 1.00 35.35 N HETATM 463 CA DLY A 30 16.947 -2.277 -15.088 1.00 41.52 C HETATM 464 C DLY A 30 16.181 -3.235 -14.238 1.00 51.32 C HETATM 465 O DLY A 30 16.397 -3.317 -13.019 1.00 14.14 O HETATM 466 CB DLY A 30 16.487 -0.828 -14.799 1.00 32.23 C HETATM 467 CG DLY A 30 16.813 0.198 -15.886 1.00 52.22 C HETATM 468 CD DLY A 30 18.282 0.558 -15.939 1.00 4.42 C HETATM 469 CE DLY A 30 18.718 1.353 -14.700 1.00 51.15 C HETATM 470 NZ DLY A 30 17.943 2.603 -14.506 1.00 53.04 N HETATM 0 HZ2 DLY A 30 18.147 3.212 -13.713 1.00 53.04 H new HETATM 0 HZ1 DLY A 30 17.206 2.854 -15.165 1.00 53.04 H new HETATM 0 HG3 DLY A 30 16.506 -0.197 -16.854 1.00 52.22 H new HETATM 0 HG2 DLY A 30 16.229 1.102 -15.711 1.00 52.22 H new HETATM 0 HE3 DLY A 30 18.609 0.725 -13.816 1.00 51.15 H new HETATM 0 HE2 DLY A 30 19.776 1.599 -14.788 1.00 51.15 H new HETATM 0 HD3 DLY A 30 18.877 -0.352 -16.015 1.00 4.42 H new HETATM 0 HD2 DLY A 30 18.481 1.145 -16.836 1.00 4.42 H new HETATM 0 HB3 DLY A 30 15.409 -0.833 -14.641 1.00 32.23 H new HETATM 0 HB2 DLY A 30 16.945 -0.500 -13.866 1.00 32.23 H new HETATM 0 HA DLY A 30 16.749 -2.423 -16.150 1.00 41.52 H new HETATM 484 N DAR A 31 15.332 -3.981 -14.862 1.00 4.25 N HETATM 485 CA DAR A 31 14.568 -4.974 -14.190 1.00 63.31 C HETATM 486 CB DAR A 31 15.034 -6.396 -14.525 1.00 4.14 C HETATM 487 CG DAR A 31 16.522 -6.552 -14.619 1.00 25.43 C HETATM 488 CD DAR A 31 16.953 -7.981 -14.447 1.00 41.22 C HETATM 489 NE DAR A 31 16.953 -8.387 -13.025 1.00 15.25 N HETATM 490 CZ DAR A 31 17.924 -8.066 -12.150 1.00 51.54 C HETATM 491 NH1 DAR A 31 18.831 -7.152 -12.480 1.00 32.24 N HETATM 492 NH2 DAR A 31 17.949 -8.612 -10.944 1.00 24.42 N HETATM 493 C DAR A 31 13.139 -4.855 -14.577 1.00 35.01 C HETATM 494 O DAR A 31 12.806 -4.467 -15.707 1.00 54.22 O HETATM 0 HH22 DAR A 31 18.688 -8.363 -10.287 1.00 24.42 H new HETATM 0 HH21 DAR A 31 17.229 -9.281 -10.672 1.00 24.42 H new HETATM 0 HH12 DAR A 31 19.569 -6.905 -11.821 1.00 32.24 H new HETATM 0 HH11 DAR A 31 18.789 -6.698 -13.392 1.00 32.24 H new HETATM 0 HG3 DAR A 31 16.864 -6.185 -15.587 1.00 25.43 H new HETATM 0 HG2 DAR A 31 16.999 -5.936 -13.857 1.00 25.43 H new HETATM 0 HE DAR A 31 16.169 -8.945 -12.686 1.00 15.25 H new HETATM 0 HD3 DAR A 31 16.285 -8.632 -15.011 1.00 41.22 H new HETATM 0 HD2 DAR A 31 17.952 -8.112 -14.862 1.00 41.22 H new HETATM 0 HB3 DAR A 31 14.656 -7.078 -13.763 1.00 4.14 H new HETATM 0 HB2 DAR A 31 14.588 -6.698 -15.473 1.00 4.14 H new HETATM 0 HA DAR A 31 14.704 -4.807 -13.121 1.00 63.31 H new HETATM 508 N DCY A 32 12.304 -5.164 -13.664 1.00 70.52 N HETATM 509 CA DCY A 32 10.936 -5.223 -13.928 1.00 14.14 C HETATM 510 C DCY A 32 10.709 -6.648 -14.335 1.00 14.33 C HETATM 511 O DCY A 32 11.316 -7.547 -13.745 1.00 32.31 O HETATM 512 CB DCY A 32 10.122 -4.857 -12.699 1.00 24.02 C HETATM 513 SG DCY A 32 8.364 -4.585 -13.045 1.00 71.03 S HETATM 0 HB3 DCY A 32 10.219 -5.652 -11.960 1.00 24.02 H new HETATM 0 HB2 DCY A 32 10.539 -3.954 -12.253 1.00 24.02 H new HETATM 0 HA DCY A 32 10.625 -4.517 -14.698 1.00 14.14 H new HETATM 518 N DAR A 33 9.924 -6.855 -15.348 1.00 1.23 N HETATM 519 CA DAR A 33 9.737 -8.169 -15.923 1.00 74.31 C HETATM 520 CB DAR A 33 9.739 -8.066 -17.435 1.00 45.44 C HETATM 521 CG DAR A 33 11.010 -7.480 -18.023 1.00 65.15 C HETATM 522 CD DAR A 33 10.850 -7.263 -19.508 1.00 15.25 C HETATM 523 NE DAR A 33 9.757 -6.313 -19.797 1.00 33.05 N HETATM 524 CZ DAR A 33 8.794 -6.495 -20.721 1.00 40.44 C HETATM 525 NH1 DAR A 33 8.724 -7.624 -21.417 1.00 2.52 N HETATM 526 NH2 DAR A 33 7.891 -5.545 -20.928 1.00 64.43 N HETATM 527 C DAR A 33 8.449 -8.797 -15.449 1.00 71.51 C HETATM 528 O DAR A 33 7.379 -8.313 -15.817 1.00 30.11 O HETATM 529 OXT DAR A 33 8.489 -9.813 -14.753 1.00 0.00 O HETATM 0 HH22 DAR A 33 7.160 -5.679 -21.627 1.00 64.43 H new HETATM 0 HH21 DAR A 33 7.928 -4.680 -20.388 1.00 64.43 H new HETATM 0 HH12 DAR A 33 7.990 -7.749 -22.114 1.00 2.52 H new HETATM 0 HH11 DAR A 33 9.405 -8.366 -21.255 1.00 2.52 H new HETATM 0 HG3 DAR A 33 11.243 -6.534 -17.534 1.00 65.15 H new HETATM 0 HG2 DAR A 33 11.848 -8.151 -17.835 1.00 65.15 H new HETATM 0 HE DAR A 33 9.729 -5.450 -19.254 1.00 33.05 H new HETATM 0 HD3 DAR A 33 11.783 -6.885 -19.925 1.00 15.25 H new HETATM 0 HD2 DAR A 33 10.646 -8.216 -19.997 1.00 15.25 H new HETATM 0 HB3 DAR A 33 9.584 -9.060 -17.855 1.00 45.44 H new HETATM 0 HB2 DAR A 33 8.893 -7.453 -17.746 1.00 45.44 H new HETATM 0 HA DAR A 33 10.559 -8.806 -15.598 1.00 74.31 H new HETATM 0 H DAR A 33 10.032 -6.043 -15.956 1.00 1.23 H new TER 543 DAR A 33