USER MOD reduce.3.24.130724 H: found=0, std=0, add=249, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 278 hydrogens (270 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 2 DAS H2 : A 2 DAS N : A 1 GLY C :(H bumps) USER MOD NoAdj-H: A 2 DAS H : A 2 DAS N : A 1 GLY C :(H bumps) USER MOD NoAdj-H: A 3 DCY H2 : A 3 DCY N : A 2 DAS C :(H bumps) USER MOD NoAdj-H: A 3 DCY H : A 3 DCY N : A 2 DAS C :(H bumps) USER MOD NoAdj-H: A 4 DLE H2 : A 4 DLE N : A 3 DCY C :(H bumps) USER MOD NoAdj-H: A 5 DPR H : A 5 DPR N : A 4 DLE C :(H bumps) USER MOD NoAdj-H: A 6 DHI H2 : A 6 DHI N : A 5 DPR C :(H bumps) USER MOD NoAdj-H: A 6 DHI H : A 6 DHI N : A 5 DPR C :(H bumps) USER MOD NoAdj-H: A 7 DLE H2 : A 7 DLE N : A 6 DHI C :(H bumps) USER MOD NoAdj-H: A 7 DLE H : A 7 DLE N : A 6 DHI C :(H bumps) USER MOD NoAdj-H: A 8 DLY H2 : A 8 DLY N : A 7 DLE C :(H bumps) USER MOD NoAdj-H: A 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 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 22 DLY H : 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= 0.136 (180deg=0) USER MOD Single : A 2 DAS OD2 : rot 166:sc= 0 USER MOD Single : A 15 DAS OD2 : rot 180:sc= 0 USER MOD Single : A 18 DSN OG : rot -158:sc= 1.26 USER MOD Single : A 26 DTH OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.325 -1.736 -0.148 1.00 63.52 N ATOM 2 CA GLY A 1 3.767 -1.857 -0.013 1.00 30.04 C ATOM 3 C GLY A 1 4.285 -2.941 -0.896 1.00 73.43 C ATOM 4 O GLY A 1 3.567 -3.404 -1.789 1.00 14.13 O ATOM 0 H1 GLY A 1 2.062 -0.730 -0.179 1.00 63.52 H new ATOM 0 H2 GLY A 1 2.018 -2.201 -1.026 1.00 63.52 H new ATOM 0 H3 GLY A 1 1.861 -2.190 0.665 1.00 63.52 H new ATOM 0 HA2 GLY A 1 4.243 -0.911 -0.271 1.00 30.04 H new ATOM 0 HA3 GLY A 1 4.024 -2.071 1.024 1.00 30.04 H new HETATM 10 N DAS A 2 5.507 -3.362 -0.659 1.00 70.32 N HETATM 11 CA DAS A 2 6.124 -4.413 -1.449 1.00 14.44 C HETATM 12 C DAS A 2 6.447 -3.887 -2.826 1.00 24.14 C HETATM 13 O DAS A 2 7.032 -2.806 -2.962 1.00 35.34 O HETATM 14 CB DAS A 2 7.394 -4.936 -0.767 1.00 22.11 C HETATM 15 CG DAS A 2 8.062 -6.054 -1.541 1.00 3.35 C HETATM 16 OD1 DAS A 2 8.990 -5.787 -2.318 1.00 20.34 O HETATM 17 OD2 DAS A 2 7.670 -7.235 -1.366 1.00 60.52 O HETATM 0 HD2 DAS A 2 8.023 -7.806 -2.080 1.00 60.52 H new HETATM 0 HB3 DAS A 2 8.099 -4.114 -0.645 1.00 22.11 H new HETATM 0 HB2 DAS A 2 7.143 -5.292 0.232 1.00 22.11 H new HETATM 0 HA DAS A 2 5.423 -5.243 -1.535 1.00 14.44 H new HETATM 22 N DCY A 3 6.044 -4.595 -3.828 1.00 33.24 N HETATM 23 CA DCY A 3 6.292 -4.166 -5.174 1.00 13.32 C HETATM 24 C DCY A 3 7.416 -4.982 -5.776 1.00 52.21 C HETATM 25 O DCY A 3 7.661 -6.123 -5.350 1.00 13.52 O HETATM 26 CB DCY A 3 5.007 -4.251 -6.022 1.00 61.34 C HETATM 27 SG DCY A 3 4.249 -5.912 -6.121 1.00 54.32 S HETATM 0 HB3 DCY A 3 4.273 -3.558 -5.611 1.00 61.34 H new HETATM 0 HB2 DCY A 3 5.235 -3.912 -7.033 1.00 61.34 H new HETATM 0 HA DCY A 3 6.601 -3.121 -5.163 1.00 13.32 H new HETATM 32 N DLE A 4 8.119 -4.401 -6.715 1.00 70.22 N HETATM 33 CA DLE A 4 9.199 -5.081 -7.395 1.00 15.43 C HETATM 34 CB DLE A 4 10.108 -4.059 -8.085 1.00 12.41 C HETATM 35 CG DLE A 4 10.615 -2.913 -7.201 1.00 41.23 C HETATM 36 CD1 DLE A 4 11.471 -3.431 -6.061 1.00 43.11 C HETATM 37 CD2 DLE A 4 11.371 -1.889 -8.024 1.00 73.40 C HETATM 38 C DLE A 4 8.595 -6.049 -8.422 1.00 73.15 C HETATM 39 O DLE A 4 7.941 -5.615 -9.377 1.00 2.42 O HETATM 0 HD23 DLE A 4 12.226 -2.366 -8.503 1.00 73.40 H new HETATM 0 HD22 DLE A 4 10.711 -1.477 -8.787 1.00 73.40 H new HETATM 0 HD21 DLE A 4 11.720 -1.086 -7.375 1.00 73.40 H new HETATM 0 HD13 DLE A 4 10.883 -4.110 -5.444 1.00 43.11 H new HETATM 0 HD12 DLE A 4 12.332 -3.963 -6.465 1.00 43.11 H new HETATM 0 HD11 DLE A 4 11.814 -2.593 -5.454 1.00 43.11 H new HETATM 0 HG DLE A 4 9.745 -2.422 -6.764 1.00 41.23 H new HETATM 0 HB3 DLE A 4 10.970 -4.586 -8.494 1.00 12.41 H new HETATM 0 HB2 DLE A 4 9.567 -3.630 -8.928 1.00 12.41 H new HETATM 0 HA DLE A 4 9.802 -5.640 -6.679 1.00 15.43 H new HETATM 0 H DLE A 4 8.056 -3.383 -6.748 1.00 70.22 H new HETATM 51 N DPR A 5 8.752 -7.368 -8.232 1.00 34.14 N HETATM 52 CA DPR A 5 8.128 -8.361 -9.096 1.00 63.41 C HETATM 53 CB DPR A 5 8.290 -9.684 -8.322 1.00 41.31 C HETATM 54 CG DPR A 5 8.852 -9.302 -6.993 1.00 12.42 C HETATM 55 CD DPR A 5 9.565 -8.010 -7.198 1.00 2.32 C HETATM 56 C DPR A 5 8.812 -8.463 -10.448 1.00 5.45 C HETATM 57 O DPR A 5 9.834 -7.826 -10.696 1.00 63.30 O HETATM 0 HG3 DPR A 5 8.060 -9.196 -6.252 1.00 12.42 H new HETATM 0 HG2 DPR A 5 9.534 -10.068 -6.624 1.00 12.42 H new HETATM 0 HD3 DPR A 5 10.594 -8.160 -7.524 1.00 2.32 H new HETATM 0 HD2 DPR A 5 9.604 -7.417 -6.284 1.00 2.32 H new HETATM 0 HB3 DPR A 5 7.333 -10.194 -8.212 1.00 41.31 H new HETATM 0 HB2 DPR A 5 8.956 -10.367 -8.848 1.00 41.31 H new HETATM 0 HA DPR A 5 7.091 -8.104 -9.312 1.00 63.41 H new HETATM 65 N DHI A 6 8.256 -9.274 -11.315 1.00 40.40 N HETATM 66 CA DHI A 6 8.836 -9.455 -12.622 1.00 30.31 C HETATM 67 C DHI A 6 10.070 -10.340 -12.501 1.00 54.21 C HETATM 68 O DHI A 6 10.075 -11.283 -11.701 1.00 24.41 O HETATM 69 CB DHI A 6 7.815 -9.993 -13.660 1.00 61.12 C HETATM 70 CG DHI A 6 7.360 -11.421 -13.498 1.00 53.41 C HETATM 71 ND1 DHI A 6 7.327 -12.308 -14.545 1.00 2.11 N HETATM 72 CD2 DHI A 6 6.896 -12.099 -12.425 1.00 72.20 C HETATM 73 CE1 DHI A 6 6.870 -13.462 -14.122 1.00 3.44 C HETATM 74 NE2 DHI A 6 6.602 -13.363 -12.843 1.00 65.21 N HETATM 0 HE2 DHI A 6 6.233 -14.111 -12.255 1.00 65.21 H new HETATM 0 HE1 DHI A 6 6.735 -14.355 -14.733 1.00 3.44 H new HETATM 0 HD2 DHI A 6 6.779 -11.708 -11.414 1.00 72.20 H new HETATM 0 HD1 DHI A 6 7.613 -12.102 -15.502 1.00 2.11 H new HETATM 0 HB3 DHI A 6 6.934 -9.352 -13.632 1.00 61.12 H new HETATM 0 HB2 DHI A 6 8.254 -9.888 -14.652 1.00 61.12 H new HETATM 0 HA DHI A 6 9.140 -8.482 -13.007 1.00 30.31 H new HETATM 83 N DLE A 7 11.099 -9.996 -13.262 1.00 2.43 N HETATM 84 CA DLE A 7 12.417 -10.640 -13.258 1.00 55.44 C HETATM 85 CB DLE A 7 12.371 -12.196 -13.375 1.00 62.51 C HETATM 86 CG DLE A 7 12.032 -12.813 -14.761 1.00 73.10 C HETATM 87 CD1 DLE A 7 10.634 -12.470 -15.234 1.00 34.52 C HETATM 88 CD2 DLE A 7 13.054 -12.394 -15.797 1.00 45.10 C HETATM 89 C DLE A 7 13.228 -10.184 -12.044 1.00 35.10 C HETATM 90 O DLE A 7 14.198 -10.836 -11.642 1.00 23.43 O HETATM 0 HD23 DLE A 7 13.057 -11.308 -15.886 1.00 45.10 H new HETATM 0 HD22 DLE A 7 14.043 -12.736 -15.492 1.00 45.10 H new HETATM 0 HD21 DLE A 7 12.799 -12.836 -16.760 1.00 45.10 H new HETATM 0 HD13 DLE A 7 9.905 -12.846 -14.517 1.00 34.52 H new HETATM 0 HD12 DLE A 7 10.534 -11.388 -15.320 1.00 34.52 H new HETATM 0 HD11 DLE A 7 10.456 -12.929 -16.207 1.00 34.52 H new HETATM 0 HG DLE A 7 12.068 -13.895 -14.635 1.00 73.10 H new HETATM 0 HB3 DLE A 7 13.342 -12.583 -13.065 1.00 62.51 H new HETATM 0 HB2 DLE A 7 11.638 -12.563 -12.657 1.00 62.51 H new HETATM 0 HA DLE A 7 12.922 -10.311 -14.166 1.00 55.44 H new HETATM 102 N DLY A 8 12.885 -9.026 -11.515 1.00 2.53 N HETATM 103 CA DLY A 8 13.573 -8.512 -10.339 1.00 0.41 C HETATM 104 C DLY A 8 14.081 -7.100 -10.649 1.00 52.34 C HETATM 105 O DLY A 8 13.718 -6.539 -11.670 1.00 13.43 O HETATM 106 CB DLY A 8 12.612 -8.492 -9.135 1.00 32.33 C HETATM 107 CG DLY A 8 13.275 -8.415 -7.754 1.00 2.42 C HETATM 108 CD DLY A 8 14.059 -9.686 -7.439 1.00 14.24 C HETATM 109 CE DLY A 8 14.641 -9.653 -6.030 1.00 33.44 C HETATM 110 NZ DLY A 8 15.341 -10.908 -5.691 1.00 53.21 N HETATM 0 HZ2 DLY A 8 15.777 -11.017 -4.775 1.00 53.21 H new HETATM 0 HZ1 DLY A 8 15.388 -11.666 -6.372 1.00 53.21 H new HETATM 0 HG3 DLY A 8 13.944 -7.555 -7.718 1.00 2.42 H new HETATM 0 HG2 DLY A 8 12.512 -8.258 -6.991 1.00 2.42 H new HETATM 0 HE3 DLY A 8 15.334 -8.816 -5.944 1.00 33.44 H new HETATM 0 HE2 DLY A 8 13.840 -9.479 -5.311 1.00 33.44 H new HETATM 0 HD3 DLY A 8 13.406 -10.552 -7.543 1.00 14.24 H new HETATM 0 HD2 DLY A 8 14.865 -9.806 -8.163 1.00 14.24 H new HETATM 0 HB3 DLY A 8 11.941 -7.640 -9.243 1.00 32.33 H new HETATM 0 HB2 DLY A 8 11.995 -9.390 -9.172 1.00 32.33 H new HETATM 0 HA DLY A 8 14.417 -9.154 -10.087 1.00 0.41 H new HETATM 124 N DLE A 9 14.942 -6.574 -9.799 1.00 41.54 N HETATM 125 CA DLE A 9 15.503 -5.221 -9.933 1.00 32.41 C HETATM 126 CB DLE A 9 16.485 -4.935 -8.758 1.00 35.43 C HETATM 127 CG DLE A 9 16.069 -5.390 -7.317 1.00 3.44 C HETATM 128 CD1 DLE A 9 17.176 -5.103 -6.323 1.00 2.14 C HETATM 129 CD2 DLE A 9 14.775 -4.745 -6.838 1.00 50.42 C HETATM 130 C DLE A 9 14.447 -4.096 -10.081 1.00 0.35 C HETATM 131 O DLE A 9 13.349 -4.186 -9.545 1.00 11.35 O HETATM 0 HD23 DLE A 9 14.893 -3.662 -6.821 1.00 50.42 H new HETATM 0 HD22 DLE A 9 13.963 -5.011 -7.515 1.00 50.42 H new HETATM 0 HD21 DLE A 9 14.541 -5.100 -5.834 1.00 50.42 H new HETATM 0 HD13 DLE A 9 18.077 -5.643 -6.616 1.00 2.14 H new HETATM 0 HD12 DLE A 9 17.383 -4.033 -6.308 1.00 2.14 H new HETATM 0 HD11 DLE A 9 16.866 -5.427 -5.329 1.00 2.14 H new HETATM 0 HG DLE A 9 15.895 -6.464 -7.378 1.00 3.44 H new HETATM 0 HB3 DLE A 9 17.436 -5.411 -8.996 1.00 35.43 H new HETATM 0 HB2 DLE A 9 16.665 -3.860 -8.729 1.00 35.43 H new HETATM 0 HA DLE A 9 16.047 -5.208 -10.877 1.00 32.41 H new HETATM 0 H DLE A 9 15.218 -7.165 -9.015 1.00 41.54 H new HETATM 143 N DCY A 10 14.798 -3.068 -10.834 1.00 34.41 N HETATM 144 CA DCY A 10 13.957 -1.889 -10.999 1.00 52.25 C HETATM 145 C DCY A 10 14.385 -0.786 -10.068 1.00 43.34 C HETATM 146 O DCY A 10 15.468 -0.845 -9.436 1.00 40.15 O HETATM 147 CB DCY A 10 14.039 -1.324 -12.413 1.00 20.12 C HETATM 148 SG DCY A 10 12.724 -1.793 -13.562 1.00 70.41 S HETATM 0 HB3 DCY A 10 14.055 -0.236 -12.343 1.00 20.12 H new HETATM 0 HB2 DCY A 10 14.992 -1.630 -12.845 1.00 20.12 H new HETATM 0 HA DCY A 10 12.940 -2.216 -10.782 1.00 52.25 H new HETATM 153 N DLY A 11 13.564 0.238 -10.025 1.00 63.22 N HETATM 154 CA DLY A 11 13.808 1.426 -9.258 1.00 2.23 C HETATM 155 C DLY A 11 12.812 2.474 -9.756 1.00 71.25 C HETATM 156 O DLY A 11 13.168 3.610 -10.065 1.00 0.44 O HETATM 157 CB DLY A 11 13.598 1.146 -7.761 1.00 15.25 C HETATM 158 CG DLY A 11 14.242 2.164 -6.834 1.00 41.21 C HETATM 159 CD DLY A 11 15.758 2.100 -6.938 1.00 23.41 C HETATM 160 CE DLY A 11 16.430 3.090 -6.011 1.00 10.02 C HETATM 161 NZ DLY A 11 17.902 2.994 -6.097 1.00 3.15 N HETATM 0 HZ2 DLY A 11 18.487 3.604 -5.526 1.00 3.15 H new HETATM 0 HZ1 DLY A 11 18.333 2.318 -6.728 1.00 3.15 H new HETATM 0 HG3 DLY A 11 13.897 3.166 -7.089 1.00 41.21 H new HETATM 0 HG2 DLY A 11 13.934 1.973 -5.806 1.00 41.21 H new HETATM 0 HE3 DLY A 11 16.114 4.102 -6.266 1.00 10.02 H new HETATM 0 HE2 DLY A 11 16.111 2.905 -4.985 1.00 10.02 H new HETATM 0 HD3 DLY A 11 16.096 1.092 -6.699 1.00 23.41 H new HETATM 0 HD2 DLY A 11 16.060 2.302 -7.966 1.00 23.41 H new HETATM 0 HB3 DLY A 11 12.528 1.113 -7.557 1.00 15.25 H new HETATM 0 HB2 DLY A 11 13.997 0.159 -7.529 1.00 15.25 H new HETATM 0 HA DLY A 11 14.834 1.774 -9.380 1.00 2.23 H new HETATM 0 H DLY A 11 12.833 0.231 -10.737 1.00 63.22 H new HETATM 175 N DGL A 12 11.572 2.040 -9.869 1.00 3.22 N HETATM 176 CA DGL A 12 10.470 2.827 -10.379 1.00 23.53 C HETATM 177 C DGL A 12 9.475 1.836 -10.968 1.00 14.12 C HETATM 178 O DGL A 12 9.201 0.818 -10.339 1.00 24.31 O HETATM 179 CB DGL A 12 9.820 3.611 -9.219 1.00 12.44 C HETATM 180 CG DGL A 12 8.589 4.433 -9.594 1.00 35.41 C HETATM 181 CD DGL A 12 8.884 5.588 -10.515 1.00 14.12 C HETATM 182 OE1 DGL A 12 8.935 6.740 -10.049 1.00 63.42 O HETATM 183 OE2 DGL A 12 9.057 5.372 -11.719 1.00 34.33 O HETATM 0 HG3 DGL A 12 7.859 3.779 -10.070 1.00 35.41 H new HETATM 0 HG2 DGL A 12 8.128 4.816 -8.683 1.00 35.41 H new HETATM 0 HB3 DGL A 12 9.540 2.905 -8.437 1.00 12.44 H new HETATM 0 HB2 DGL A 12 10.567 4.280 -8.792 1.00 12.44 H new HETATM 0 HA DGL A 12 10.798 3.546 -11.130 1.00 23.53 H new HETATM 0 H DGL A 12 11.555 1.024 -9.954 1.00 3.22 H new HETATM 190 N DSG A 13 8.940 2.110 -12.154 1.00 24.13 N HETATM 191 CA DSG A 13 8.011 1.172 -12.801 1.00 60.43 C HETATM 192 C DSG A 13 6.728 1.062 -12.008 1.00 2.11 C HETATM 193 O DSG A 13 6.150 0.001 -11.911 1.00 21.33 O HETATM 194 CB DSG A 13 7.719 1.511 -14.282 1.00 62.35 C HETATM 195 CG DSG A 13 6.885 2.760 -14.520 1.00 54.12 C HETATM 196 OD1 DSG A 13 6.946 3.736 -13.768 1.00 74.52 O HETATM 197 ND2 DSG A 13 6.089 2.723 -15.563 1.00 70.11 N HETATM 0 HD22 DSG A 13 5.500 3.526 -15.784 1.00 70.11 H new HETATM 0 HD21 DSG A 13 6.059 1.891 -16.153 1.00 70.11 H new HETATM 0 HB3 DSG A 13 8.669 1.626 -14.804 1.00 62.35 H new HETATM 0 HB2 DSG A 13 7.207 0.662 -14.736 1.00 62.35 H new HETATM 0 HA DSG A 13 8.511 0.204 -12.810 1.00 60.43 H new HETATM 204 N DLY A 14 6.325 2.166 -11.414 1.00 24.31 N HETATM 205 CA DLY A 14 5.160 2.233 -10.538 1.00 62.10 C HETATM 206 C DLY A 14 5.349 1.290 -9.358 1.00 73.15 C HETATM 207 O DLY A 14 4.398 0.700 -8.847 1.00 71.20 O HETATM 208 CB DLY A 14 5.034 3.646 -9.984 1.00 53.21 C HETATM 209 CG DLY A 14 4.904 4.739 -11.028 1.00 11.14 C HETATM 210 CD DLY A 14 5.109 6.117 -10.412 1.00 64.25 C HETATM 211 CE DLY A 14 4.108 6.410 -9.313 1.00 3.14 C HETATM 212 NZ DLY A 14 4.386 7.686 -8.637 1.00 71.32 N HETATM 0 HZ2 DLY A 14 3.785 8.002 -7.876 1.00 71.32 H new HETATM 0 HZ1 DLY A 14 5.180 8.256 -8.929 1.00 71.32 H new HETATM 0 HG3 DLY A 14 5.637 4.579 -11.819 1.00 11.14 H new HETATM 0 HG2 DLY A 14 3.919 4.688 -11.491 1.00 11.14 H new HETATM 0 HE3 DLY A 14 3.104 6.435 -9.736 1.00 3.14 H new HETATM 0 HE2 DLY A 14 4.126 5.602 -8.582 1.00 3.14 H new HETATM 0 HD3 DLY A 14 6.119 6.185 -10.008 1.00 64.25 H new HETATM 0 HD2 DLY A 14 5.024 6.876 -11.189 1.00 64.25 H new HETATM 0 HB3 DLY A 14 4.164 3.686 -9.329 1.00 53.21 H new HETATM 0 HB2 DLY A 14 5.908 3.857 -9.367 1.00 53.21 H new HETATM 0 HA DLY A 14 4.273 1.956 -11.107 1.00 62.10 H new HETATM 226 N DAS A 15 6.589 1.138 -8.949 1.00 62.23 N HETATM 227 CA DAS A 15 6.916 0.331 -7.800 1.00 62.13 C HETATM 228 C DAS A 15 6.955 -1.132 -8.204 1.00 32.41 C HETATM 229 O DAS A 15 6.745 -2.016 -7.387 1.00 51.45 O HETATM 230 CB DAS A 15 8.246 0.768 -7.196 1.00 11.42 C HETATM 231 CG DAS A 15 8.397 0.325 -5.767 1.00 1.13 C HETATM 232 OD1 DAS A 15 9.058 -0.663 -5.491 1.00 22.14 O HETATM 233 OD2 DAS A 15 7.818 1.000 -4.873 1.00 21.23 O HETATM 0 HD2 DAS A 15 7.994 0.600 -3.996 1.00 21.23 H new HETATM 0 HB3 DAS A 15 9.064 0.359 -7.789 1.00 11.42 H new HETATM 0 HB2 DAS A 15 8.327 1.854 -7.248 1.00 11.42 H new HETATM 0 HA DAS A 15 6.149 0.465 -7.038 1.00 62.13 H new HETATM 238 N DCY A 16 7.199 -1.375 -9.484 1.00 52.23 N HETATM 239 CA DCY A 16 7.159 -2.717 -10.029 1.00 71.12 C HETATM 240 C DCY A 16 5.704 -3.194 -10.020 1.00 63.32 C HETATM 241 O DCY A 16 4.793 -2.415 -10.325 1.00 62.14 O HETATM 242 CB DCY A 16 7.675 -2.748 -11.480 1.00 63.41 C HETATM 243 SG DCY A 16 9.291 -1.940 -11.787 1.00 32.24 S HETATM 0 HB3 DCY A 16 7.748 -3.789 -11.794 1.00 63.41 H new HETATM 0 HB2 DCY A 16 6.929 -2.274 -12.118 1.00 63.41 H new HETATM 0 HA DCY A 16 7.796 -3.361 -9.422 1.00 71.12 H new HETATM 248 N DCY A 17 5.485 -4.450 -9.681 1.00 72.14 N HETATM 249 CA DCY A 17 4.138 -5.022 -9.607 1.00 4.20 C HETATM 250 C DCY A 17 3.460 -4.958 -10.977 1.00 25.02 C HETATM 251 O DCY A 17 2.281 -4.641 -11.089 1.00 15.40 O HETATM 252 CB DCY A 17 4.199 -6.488 -9.154 1.00 54.22 C HETATM 253 SG DCY A 17 5.217 -6.814 -7.665 1.00 43.41 S HETATM 0 HB3 DCY A 17 3.183 -6.833 -8.960 1.00 54.22 H new HETATM 0 HB2 DCY A 17 4.588 -7.088 -9.977 1.00 54.22 H new HETATM 0 HA DCY A 17 3.565 -4.442 -8.884 1.00 4.20 H new HETATM 258 N DSN A 18 4.238 -5.206 -12.010 1.00 70.22 N HETATM 259 CA DSN A 18 3.748 -5.249 -13.356 1.00 72.34 C HETATM 260 C DSN A 18 3.813 -3.875 -14.039 1.00 51.43 C HETATM 261 O DSN A 18 3.246 -3.684 -15.113 1.00 44.14 O HETATM 262 CB DSN A 18 4.610 -6.244 -14.106 1.00 44.03 C HETATM 263 OG DSN A 18 5.994 -5.934 -13.911 1.00 52.43 O HETATM 0 HG DSN A 18 6.523 -6.327 -14.637 1.00 52.43 H new HETATM 0 HB3 DSN A 18 4.402 -7.255 -13.756 1.00 44.03 H new HETATM 0 HB2 DSN A 18 4.369 -6.219 -15.169 1.00 44.03 H new HETATM 0 HA DSN A 18 2.699 -5.544 -13.355 1.00 72.34 H new HETATM 269 N DLY A 19 4.524 -2.932 -13.406 1.00 21.13 N HETATM 270 CA DLY A 19 4.771 -1.576 -13.949 1.00 23.54 C HETATM 271 C DLY A 19 5.591 -1.586 -15.247 1.00 44.14 C HETATM 272 O DLY A 19 5.728 -0.558 -15.912 1.00 1.52 O HETATM 273 CB DLY A 19 3.482 -0.751 -14.107 1.00 31.13 C HETATM 274 CG DLY A 19 2.793 -0.423 -12.793 1.00 63.44 C HETATM 275 CD DLY A 19 1.543 0.414 -13.024 1.00 30.45 C HETATM 276 CE DLY A 19 0.771 0.643 -11.731 1.00 1.21 C HETATM 277 NZ DLY A 19 0.263 -0.624 -11.156 1.00 75.32 N HETATM 0 HZ2 DLY A 19 -0.272 -0.612 -10.288 1.00 75.32 H new HETATM 0 HZ1 DLY A 19 0.449 -1.509 -11.628 1.00 75.32 H new HETATM 0 HG3 DLY A 19 2.526 -1.346 -12.278 1.00 63.44 H new HETATM 0 HG2 DLY A 19 3.481 0.117 -12.143 1.00 63.44 H new HETATM 0 HE3 DLY A 19 1.417 1.137 -11.005 1.00 1.21 H new HETATM 0 HE2 DLY A 19 -0.065 1.315 -11.922 1.00 1.21 H new HETATM 0 HD3 DLY A 19 1.823 1.375 -13.456 1.00 30.45 H new HETATM 0 HD2 DLY A 19 0.900 -0.085 -13.748 1.00 30.45 H new HETATM 0 HB3 DLY A 19 3.719 0.179 -14.623 1.00 31.13 H new HETATM 0 HB2 DLY A 19 2.787 -1.300 -14.743 1.00 31.13 H new HETATM 0 HA DLY A 19 5.380 -1.077 -13.196 1.00 23.54 H new HETATM 291 N DLY A 20 6.164 -2.725 -15.571 1.00 22.34 N HETATM 292 CA DLY A 20 6.979 -2.861 -16.754 1.00 4.02 C HETATM 293 C DLY A 20 8.441 -2.878 -16.359 1.00 71.43 C HETATM 294 O DLY A 20 8.990 -3.920 -16.021 1.00 72.40 O HETATM 295 CB DLY A 20 6.620 -4.138 -17.528 1.00 23.35 C HETATM 296 CG DLY A 20 5.206 -4.157 -18.108 1.00 31.31 C HETATM 297 CD DLY A 20 4.881 -5.496 -18.775 1.00 23.13 C HETATM 298 CE DLY A 20 4.774 -6.622 -17.754 1.00 43.44 C HETATM 299 NZ DLY A 20 4.532 -7.939 -18.375 1.00 72.03 N HETATM 0 HZ2 DLY A 20 4.442 -8.770 -17.790 1.00 72.03 H new HETATM 0 HZ1 DLY A 20 4.455 -8.018 -19.389 1.00 72.03 H new HETATM 0 HG3 DLY A 20 4.485 -3.963 -17.314 1.00 31.31 H new HETATM 0 HG2 DLY A 20 5.102 -3.353 -18.837 1.00 31.31 H new HETATM 0 HE3 DLY A 20 5.693 -6.665 -17.170 1.00 43.44 H new HETATM 0 HE2 DLY A 20 3.965 -6.400 -17.059 1.00 43.44 H new HETATM 0 HD3 DLY A 20 3.943 -5.411 -19.323 1.00 23.13 H new HETATM 0 HD2 DLY A 20 5.655 -5.737 -19.503 1.00 23.13 H new HETATM 0 HB3 DLY A 20 7.334 -4.266 -18.342 1.00 23.35 H new HETATM 0 HB2 DLY A 20 6.737 -4.994 -16.864 1.00 23.35 H new HETATM 0 HA DLY A 20 6.790 -2.011 -17.409 1.00 4.02 H new HETATM 313 N DCY A 21 9.040 -1.732 -16.350 1.00 33.45 N HETATM 314 CA DCY A 21 10.419 -1.595 -15.971 1.00 52.22 C HETATM 315 C DCY A 21 11.274 -1.547 -17.230 1.00 30.33 C HETATM 316 O DCY A 21 11.225 -0.576 -17.997 1.00 43.10 O HETATM 317 CB DCY A 21 10.578 -0.326 -15.132 1.00 63.43 C HETATM 318 SG DCY A 21 12.226 -0.037 -14.431 1.00 13.23 S HETATM 0 HB3 DCY A 21 10.313 0.531 -15.752 1.00 63.43 H new HETATM 0 HB2 DCY A 21 9.858 -0.363 -14.314 1.00 63.43 H new HETATM 0 HA DCY A 21 10.745 -2.444 -15.370 1.00 52.22 H new HETATM 323 N DLY A 22 12.017 -2.597 -17.470 1.00 63.33 N HETATM 324 CA DLY A 22 12.825 -2.718 -18.670 1.00 44.01 C HETATM 325 C DLY A 22 14.264 -2.979 -18.284 1.00 3.12 C HETATM 326 O DLY A 22 14.643 -2.710 -17.169 1.00 63.04 O HETATM 327 CB DLY A 22 12.287 -3.851 -19.550 1.00 74.32 C HETATM 328 CG DLY A 22 10.892 -3.603 -20.095 1.00 63.11 C HETATM 329 CD DLY A 22 10.459 -4.733 -20.987 1.00 53.45 C HETATM 330 CE DLY A 22 9.116 -4.463 -21.627 1.00 33.32 C HETATM 331 NZ DLY A 22 8.706 -5.567 -22.515 1.00 2.21 N HETATM 0 HZ2 DLY A 22 7.818 -5.517 -23.014 1.00 2.21 H new HETATM 0 HZ1 DLY A 22 9.311 -6.380 -22.630 1.00 2.21 H new HETATM 0 HG3 DLY A 22 10.188 -3.495 -19.270 1.00 63.11 H new HETATM 0 HG2 DLY A 22 10.876 -2.667 -20.653 1.00 63.11 H new HETATM 0 HE3 DLY A 22 8.364 -4.321 -20.851 1.00 33.32 H new HETATM 0 HE2 DLY A 22 9.164 -3.535 -22.197 1.00 33.32 H new HETATM 0 HD3 DLY A 22 11.207 -4.889 -21.764 1.00 53.45 H new HETATM 0 HD2 DLY A 22 10.406 -5.654 -20.406 1.00 53.45 H new HETATM 0 HB3 DLY A 22 12.970 -4.003 -20.386 1.00 74.32 H new HETATM 0 HB2 DLY A 22 12.280 -4.775 -18.971 1.00 74.32 H new HETATM 0 HA DLY A 22 12.776 -1.789 -19.239 1.00 44.01 H new HETATM 345 N DAR A 23 15.069 -3.441 -19.207 1.00 65.11 N HETATM 346 CA DAR A 23 16.447 -3.781 -18.919 1.00 11.00 C HETATM 347 CB DAR A 23 17.367 -2.545 -18.951 1.00 64.35 C HETATM 348 CG DAR A 23 17.343 -1.754 -20.249 1.00 61.45 C HETATM 349 CD DAR A 23 18.370 -0.634 -20.212 1.00 32.42 C HETATM 350 NE DAR A 23 19.707 -1.150 -19.850 1.00 60.34 N HETATM 351 CZ DAR A 23 20.865 -0.846 -20.446 1.00 41.41 C HETATM 352 NH1 DAR A 23 20.900 -0.009 -21.477 1.00 71.13 N HETATM 353 NH2 DAR A 23 21.983 -1.392 -19.991 1.00 34.52 N HETATM 354 C DAR A 23 16.954 -4.767 -19.926 1.00 3.53 C HETATM 355 O DAR A 23 16.208 -5.180 -20.824 1.00 22.45 O HETATM 0 HH22 DAR A 23 22.875 -1.171 -20.434 1.00 34.52 H new HETATM 0 HH21 DAR A 23 21.952 -2.033 -19.198 1.00 34.52 H new HETATM 0 HH12 DAR A 23 21.790 0.214 -21.923 1.00 71.13 H new HETATM 0 HH11 DAR A 23 20.037 0.410 -21.823 1.00 71.13 H new HETATM 0 HG3 DAR A 23 17.550 -2.417 -21.089 1.00 61.45 H new HETATM 0 HG2 DAR A 23 16.348 -1.338 -20.409 1.00 61.45 H new HETATM 0 HE DAR A 23 19.751 -1.803 -19.068 1.00 60.34 H new HETATM 0 HD3 DAR A 23 18.416 -0.147 -21.186 1.00 32.42 H new HETATM 0 HD2 DAR A 23 18.061 0.123 -19.491 1.00 32.42 H new HETATM 0 HB3 DAR A 23 17.085 -1.881 -18.134 1.00 64.35 H new HETATM 0 HB2 DAR A 23 18.390 -2.868 -18.760 1.00 64.35 H new HETATM 0 HA DAR A 23 16.465 -4.207 -17.916 1.00 11.00 H new HETATM 369 N DAR A 24 18.206 -5.162 -19.743 1.00 3.22 N HETATM 370 CA DAR A 24 18.968 -5.939 -20.709 1.00 44.30 C HETATM 371 CB DAR A 24 19.041 -5.215 -22.044 1.00 22.33 C HETATM 372 CG DAR A 24 19.825 -3.925 -21.964 1.00 61.13 C HETATM 373 CD DAR A 24 19.754 -3.147 -23.249 1.00 70.13 C HETATM 374 NE DAR A 24 20.286 -3.902 -24.387 1.00 1.31 N HETATM 375 CZ DAR A 24 20.311 -3.465 -25.648 1.00 32.44 C HETATM 376 NH1 DAR A 24 19.837 -2.250 -25.951 1.00 52.22 N HETATM 377 NH2 DAR A 24 20.803 -4.241 -26.606 1.00 70.33 N HETATM 378 C DAR A 24 18.521 -7.381 -20.857 1.00 44.43 C HETATM 379 O DAR A 24 17.518 -7.811 -20.284 1.00 32.32 O HETATM 0 HH22 DAR A 24 20.823 -3.910 -27.570 1.00 70.33 H new HETATM 0 HH21 DAR A 24 21.161 -5.169 -26.378 1.00 70.33 H new HETATM 0 HH12 DAR A 24 19.858 -1.920 -26.916 1.00 52.22 H new HETATM 0 HH11 DAR A 24 19.455 -1.654 -25.217 1.00 52.22 H new HETATM 0 HG3 DAR A 24 19.438 -3.315 -21.148 1.00 61.13 H new HETATM 0 HG2 DAR A 24 20.866 -4.147 -21.730 1.00 61.13 H new HETATM 0 HE DAR A 24 20.665 -4.830 -24.202 1.00 1.31 H new HETATM 0 HD3 DAR A 24 18.718 -2.875 -23.449 1.00 70.13 H new HETATM 0 HD2 DAR A 24 20.313 -2.217 -23.140 1.00 70.13 H new HETATM 0 HB3 DAR A 24 19.501 -5.870 -22.784 1.00 22.33 H new HETATM 0 HB2 DAR A 24 18.031 -5.001 -22.393 1.00 22.33 H new HETATM 0 HA DAR A 24 19.976 -6.017 -20.301 1.00 44.30 H new ATOM 393 N GLY A 25 19.299 -8.125 -21.589 1.00 10.23 N ATOM 394 CA GLY A 25 19.042 -9.511 -21.785 1.00 73.10 C ATOM 395 C GLY A 25 20.143 -10.313 -21.168 1.00 55.24 C ATOM 396 O GLY A 25 21.281 -10.294 -21.658 1.00 0.52 O ATOM 0 H GLY A 25 20.132 -7.780 -22.066 1.00 10.23 H new ATOM 0 HA2 GLY A 25 18.086 -9.781 -21.338 1.00 73.10 H new ATOM 0 HA3 GLY A 25 18.969 -9.732 -22.850 1.00 73.10 H new HETATM 400 N DTH A 26 19.844 -10.978 -20.082 1.00 23.32 N HETATM 401 CA DTH A 26 20.842 -11.759 -19.381 1.00 2.42 C HETATM 402 CB DTH A 26 20.178 -12.992 -18.709 1.00 13.01 C HETATM 403 CG2 DTH A 26 19.454 -12.623 -17.425 1.00 33.42 C HETATM 404 OG1 DTH A 26 19.238 -13.588 -19.631 1.00 4.24 O HETATM 405 C DTH A 26 21.555 -10.871 -18.330 1.00 14.04 C HETATM 406 O DTH A 26 22.616 -11.206 -17.813 1.00 43.40 O HETATM 0 HG23 DTH A 26 20.163 -12.193 -16.718 1.00 33.42 H new HETATM 0 HG22 DTH A 26 18.673 -11.895 -17.644 1.00 33.42 H new HETATM 0 HG21 DTH A 26 19.005 -13.516 -16.991 1.00 33.42 H new HETATM 0 HG1 DTH A 26 18.818 -14.368 -19.211 1.00 4.24 H new HETATM 0 HB DTH A 26 20.969 -13.698 -18.454 1.00 13.01 H new HETATM 0 HA DTH A 26 21.586 -12.120 -20.091 1.00 2.42 H new HETATM 0 H DTH A 26 18.868 -11.276 -20.078 1.00 23.32 H new HETATM 414 N DSG A 27 20.957 -9.728 -18.052 1.00 72.15 N HETATM 415 CA DSG A 27 21.476 -8.773 -17.090 1.00 14.43 C HETATM 416 C DSG A 27 21.262 -7.412 -17.698 1.00 35.23 C HETATM 417 O DSG A 27 20.191 -7.145 -18.214 1.00 64.53 O HETATM 418 CB DSG A 27 20.719 -8.892 -15.742 1.00 41.22 C HETATM 419 CG DSG A 27 21.289 -8.013 -14.611 1.00 43.00 C HETATM 420 OD1 DSG A 27 21.877 -6.957 -14.844 1.00 15.40 O HETATM 421 ND2 DSG A 27 21.099 -8.436 -13.390 1.00 12.32 N HETATM 0 HD22 DSG A 27 21.454 -7.895 -12.602 1.00 12.32 H new HETATM 0 HD21 DSG A 27 20.595 -9.307 -13.225 1.00 12.32 H new HETATM 0 HB3 DSG A 27 19.674 -8.625 -15.901 1.00 41.22 H new HETATM 0 HB2 DSG A 27 20.737 -9.933 -15.420 1.00 41.22 H new HETATM 0 HA DSG A 27 22.530 -8.953 -16.880 1.00 14.43 H new HETATM 0 H DSG A 27 20.553 -9.400 -18.929 1.00 72.15 H new HETATM 428 N DIL A 28 22.261 -6.574 -17.638 1.00 32.31 N HETATM 429 CA DIL A 28 22.235 -5.269 -18.296 1.00 21.23 C HETATM 430 C DIL A 28 21.417 -4.247 -17.523 1.00 72.25 C HETATM 431 O DIL A 28 20.970 -3.238 -18.100 1.00 51.41 O HETATM 432 CB DIL A 28 23.673 -4.679 -18.529 1.00 33.12 C HETATM 433 CG1 DIL A 28 24.553 -5.542 -19.488 1.00 13.24 C HETATM 434 CG2 DIL A 28 24.394 -4.451 -17.202 1.00 35.13 C HETATM 435 CD1 DIL A 28 25.001 -6.903 -18.957 1.00 51.51 C HETATM 0 HG23 DIL A 28 23.823 -3.749 -16.594 1.00 35.13 H new HETATM 0 HG22 DIL A 28 24.488 -5.398 -16.671 1.00 35.13 H new HETATM 0 HG21 DIL A 28 25.386 -4.042 -17.393 1.00 35.13 H new HETATM 0 HG13 DIL A 28 23.997 -5.702 -20.412 1.00 13.24 H new HETATM 0 HG12 DIL A 28 25.442 -4.967 -19.747 1.00 13.24 H new HETATM 0 HD13 DIL A 28 25.593 -6.764 -18.052 1.00 51.51 H new HETATM 0 HD12 DIL A 28 24.125 -7.510 -18.728 1.00 51.51 H new HETATM 0 HD11 DIL A 28 25.605 -7.407 -19.712 1.00 51.51 H new HETATM 0 HB DIL A 28 23.524 -3.720 -19.025 1.00 33.12 H new HETATM 0 HA DIL A 28 21.765 -5.454 -19.262 1.00 21.23 H new HETATM 447 N DGL A 29 21.200 -4.504 -16.260 1.00 50.20 N HETATM 448 CA DGL A 29 20.542 -3.556 -15.402 1.00 45.01 C HETATM 449 C DGL A 29 19.050 -3.457 -15.652 1.00 14.54 C HETATM 450 O DGL A 29 18.444 -4.308 -16.333 1.00 71.32 O HETATM 451 CB DGL A 29 20.852 -3.828 -13.937 1.00 13.15 C HETATM 452 CG DGL A 29 22.314 -3.631 -13.596 1.00 74.41 C HETATM 453 CD DGL A 29 22.611 -3.824 -12.138 1.00 71.05 C HETATM 454 OE1 DGL A 29 22.394 -2.884 -11.345 1.00 53.23 O HETATM 455 OE2 DGL A 29 23.105 -4.895 -11.764 1.00 23.42 O HETATM 0 HG3 DGL A 29 22.914 -4.330 -14.178 1.00 74.41 H new HETATM 0 HG2 DGL A 29 22.618 -2.627 -13.892 1.00 74.41 H new HETATM 0 HB3 DGL A 29 20.247 -3.168 -13.315 1.00 13.15 H new HETATM 0 HB2 DGL A 29 20.562 -4.850 -13.694 1.00 13.15 H new HETATM 0 HA DGL A 29 20.951 -2.578 -15.656 1.00 45.01 H new HETATM 462 N DLY A 30 18.481 -2.402 -15.115 1.00 22.14 N HETATM 463 CA DLY A 30 17.081 -2.096 -15.234 1.00 52.54 C HETATM 464 C DLY A 30 16.336 -3.055 -14.300 1.00 15.41 C HETATM 465 O DLY A 30 16.604 -3.089 -13.086 1.00 15.15 O HETATM 466 CB DLY A 30 16.877 -0.630 -14.800 1.00 24.25 C HETATM 467 CG DLY A 30 15.562 0.039 -15.193 1.00 53.12 C HETATM 468 CD DLY A 30 15.504 0.460 -16.666 1.00 53.44 C HETATM 469 CE DLY A 30 14.198 1.208 -16.944 1.00 24.11 C HETATM 470 NZ DLY A 30 14.102 1.763 -18.315 1.00 40.22 N HETATM 0 HZ2 DLY A 30 13.269 2.279 -18.599 1.00 40.22 H new HETATM 0 HZ1 DLY A 30 14.868 1.629 -18.974 1.00 40.22 H new HETATM 0 HG3 DLY A 30 14.740 -0.646 -14.987 1.00 53.12 H new HETATM 0 HG2 DLY A 30 15.409 0.918 -14.566 1.00 53.12 H new HETATM 0 HE3 DLY A 30 13.361 0.530 -16.778 1.00 24.11 H new HETATM 0 HE2 DLY A 30 14.097 2.022 -16.226 1.00 24.11 H new HETATM 0 HD3 DLY A 30 16.356 1.097 -16.905 1.00 53.44 H new HETATM 0 HD2 DLY A 30 15.573 -0.419 -17.307 1.00 53.44 H new HETATM 0 HB3 DLY A 30 16.968 -0.583 -13.715 1.00 24.25 H new HETATM 0 HB2 DLY A 30 17.694 -0.039 -15.214 1.00 24.25 H new HETATM 0 HA DLY A 30 16.710 -2.213 -16.252 1.00 52.54 H new HETATM 484 N DAR A 31 15.444 -3.832 -14.851 1.00 4.25 N HETATM 485 CA DAR A 31 14.735 -4.863 -14.126 1.00 10.05 C HETATM 486 CB DAR A 31 15.317 -6.240 -14.477 1.00 12.11 C HETATM 487 CG DAR A 31 16.794 -6.381 -14.159 1.00 51.21 C HETATM 488 CD DAR A 31 17.344 -7.718 -14.593 1.00 20.11 C HETATM 489 NE DAR A 31 16.764 -8.840 -13.848 1.00 11.44 N HETATM 490 CZ DAR A 31 16.815 -10.120 -14.232 1.00 72.01 C HETATM 491 NH1 DAR A 31 17.311 -10.444 -15.420 1.00 53.24 N HETATM 492 NH2 DAR A 31 16.337 -11.070 -13.445 1.00 73.11 N HETATM 493 C DAR A 31 13.261 -4.833 -14.490 1.00 4.33 C HETATM 494 O DAR A 31 12.906 -4.651 -15.668 1.00 65.34 O HETATM 0 HH22 DAR A 31 16.377 -12.045 -13.741 1.00 73.11 H new HETATM 0 HH21 DAR A 31 15.928 -10.827 -12.543 1.00 73.11 H new HETATM 0 HH12 DAR A 31 17.348 -11.422 -15.708 1.00 53.24 H new HETATM 0 HH11 DAR A 31 17.656 -9.715 -16.045 1.00 53.24 H new HETATM 0 HG3 DAR A 31 17.348 -5.584 -14.654 1.00 51.21 H new HETATM 0 HG2 DAR A 31 16.947 -6.258 -13.087 1.00 51.21 H new HETATM 0 HE DAR A 31 16.286 -8.628 -12.972 1.00 11.44 H new HETATM 0 HD3 DAR A 31 17.152 -7.857 -15.657 1.00 20.11 H new HETATM 0 HD2 DAR A 31 18.426 -7.721 -14.461 1.00 20.11 H new HETATM 0 HB3 DAR A 31 14.764 -7.007 -13.935 1.00 12.11 H new HETATM 0 HB2 DAR A 31 15.164 -6.428 -15.540 1.00 12.11 H new HETATM 0 HA DAR A 31 14.847 -4.682 -13.057 1.00 10.05 H new HETATM 508 N DCY A 32 12.421 -4.984 -13.502 1.00 12.32 N HETATM 509 CA DCY A 32 10.995 -5.011 -13.701 1.00 24.53 C HETATM 510 C DCY A 32 10.649 -6.366 -14.245 1.00 72.42 C HETATM 511 O DCY A 32 11.071 -7.372 -13.675 1.00 23.44 O HETATM 512 CB DCY A 32 10.247 -4.822 -12.370 1.00 71.14 C HETATM 513 SG DCY A 32 10.711 -3.345 -11.396 1.00 63.21 S HETATM 0 HB3 DCY A 32 9.178 -4.774 -12.580 1.00 71.14 H new HETATM 0 HB2 DCY A 32 10.412 -5.706 -11.754 1.00 71.14 H new HETATM 0 HA DCY A 32 10.706 -4.207 -14.378 1.00 24.53 H new HETATM 518 N DAR A 33 9.953 -6.410 -15.355 1.00 43.24 N HETATM 519 CA DAR A 33 9.536 -7.651 -15.957 1.00 65.41 C HETATM 520 CB DAR A 33 10.505 -8.117 -17.071 1.00 54.14 C HETATM 521 CG DAR A 33 11.918 -8.415 -16.588 1.00 64.51 C HETATM 522 CD DAR A 33 12.788 -9.001 -17.681 1.00 22.44 C HETATM 523 NE DAR A 33 12.886 -8.127 -18.848 1.00 5.54 N HETATM 524 CZ DAR A 33 14.018 -7.809 -19.488 1.00 41.23 C HETATM 525 NH1 DAR A 33 15.180 -8.295 -19.078 1.00 3.22 N HETATM 526 NH2 DAR A 33 13.969 -7.045 -20.572 1.00 2.20 N HETATM 527 C DAR A 33 8.129 -7.493 -16.498 1.00 5.25 C HETATM 528 O DAR A 33 7.179 -7.492 -15.686 1.00 12.35 O HETATM 529 OXT DAR A 33 7.953 -7.389 -17.719 1.00 0.00 O HETATM 0 HH22 DAR A 33 14.829 -6.800 -21.063 1.00 2.20 H new HETATM 0 HH21 DAR A 33 13.071 -6.703 -20.914 1.00 2.20 H new HETATM 0 HH12 DAR A 33 16.038 -8.048 -19.571 1.00 3.22 H new HETATM 0 HH11 DAR A 33 15.216 -8.916 -18.270 1.00 3.22 H new HETATM 0 HG3 DAR A 33 12.374 -7.497 -16.217 1.00 64.51 H new HETATM 0 HG2 DAR A 33 11.874 -9.110 -15.750 1.00 64.51 H new HETATM 0 HE DAR A 33 12.019 -7.725 -19.205 1.00 5.54 H new HETATM 0 HD3 DAR A 33 13.787 -9.187 -17.285 1.00 22.44 H new HETATM 0 HD2 DAR A 33 12.382 -9.965 -17.986 1.00 22.44 H new HETATM 0 HB3 DAR A 33 10.097 -9.013 -17.540 1.00 54.14 H new HETATM 0 HB2 DAR A 33 10.552 -7.347 -17.841 1.00 54.14 H new HETATM 0 HA DAR A 33 9.551 -8.425 -15.190 1.00 65.41 H new TER 543 DAR A 33