USER MOD reduce.3.24.130724 H: found=0, std=0, add=252, 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 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 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 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 DAS OD2 : rot 180:sc= 0 USER MOD Single : A 15 DAS OD2 : rot 169:sc= 0 USER MOD Single : A 18 DSN OG : rot 110:sc= -0.659 USER MOD Single : A 26 DTH OG1 : rot 180:sc= 0 USER MOD Single : A 33 DAR OXT : rot -50:sc= -2.51 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.915 -0.879 -0.076 1.00 63.11 N ATOM 2 CA GLY A 1 2.597 -0.736 -1.358 1.00 12.21 C ATOM 3 C GLY A 1 3.295 -2.011 -1.752 1.00 33.32 C ATOM 4 O GLY A 1 2.794 -2.771 -2.594 1.00 22.01 O ATOM 0 H1 GLY A 1 1.444 0.015 0.168 1.00 63.11 H new ATOM 0 H2 GLY A 1 1.206 -1.637 -0.143 1.00 63.11 H new ATOM 0 H3 GLY A 1 2.608 -1.118 0.661 1.00 63.11 H new ATOM 0 HA2 GLY A 1 1.875 -0.461 -2.127 1.00 12.21 H new ATOM 0 HA3 GLY A 1 3.323 0.075 -1.298 1.00 12.21 H new HETATM 10 N DAS A 2 4.438 -2.273 -1.147 1.00 53.15 N HETATM 11 CA DAS A 2 5.190 -3.469 -1.463 1.00 63.34 C HETATM 12 C DAS A 2 5.999 -3.215 -2.706 1.00 74.22 C HETATM 13 O DAS A 2 7.096 -2.651 -2.661 1.00 50.30 O HETATM 14 CB DAS A 2 6.079 -3.927 -0.302 1.00 54.34 C HETATM 15 CG DAS A 2 6.776 -5.243 -0.596 1.00 63.15 C HETATM 16 OD1 DAS A 2 8.024 -5.291 -0.614 1.00 51.20 O HETATM 17 OD2 DAS A 2 6.083 -6.264 -0.819 1.00 52.00 O HETATM 0 HD2 DAS A 2 6.672 -7.027 -0.994 1.00 52.00 H new HETATM 0 HB3 DAS A 2 6.826 -3.161 -0.095 1.00 54.34 H new HETATM 0 HB2 DAS A 2 5.473 -4.032 0.598 1.00 54.34 H new HETATM 0 HA DAS A 2 4.489 -4.285 -1.639 1.00 63.34 H new HETATM 22 N DCY A 3 5.410 -3.554 -3.804 1.00 22.41 N HETATM 23 CA DCY A 3 5.966 -3.307 -5.094 1.00 61.31 C HETATM 24 C DCY A 3 7.046 -4.326 -5.463 1.00 24.33 C HETATM 25 O DCY A 3 7.110 -5.426 -4.887 1.00 34.22 O HETATM 26 CB DCY A 3 4.825 -3.284 -6.124 1.00 11.01 C HETATM 27 SG DCY A 3 3.731 -4.752 -6.088 1.00 53.35 S HETATM 0 HB3 DCY A 3 4.220 -2.393 -5.956 1.00 11.01 H new HETATM 0 HB2 DCY A 3 5.256 -3.193 -7.121 1.00 11.01 H new HETATM 0 HA DCY A 3 6.467 -2.339 -5.086 1.00 61.31 H new HETATM 32 N DLE A 4 7.899 -3.946 -6.391 1.00 5.53 N HETATM 33 CA DLE A 4 8.963 -4.809 -6.878 1.00 60.11 C HETATM 34 CB DLE A 4 10.069 -3.992 -7.602 1.00 3.33 C HETATM 35 CG DLE A 4 11.036 -3.148 -6.725 1.00 23.44 C HETATM 36 CD1 DLE A 4 12.022 -2.401 -7.586 1.00 64.22 C HETATM 37 CD2 DLE A 4 10.308 -2.165 -5.839 1.00 35.45 C HETATM 38 C DLE A 4 8.366 -5.868 -7.808 1.00 42.13 C HETATM 39 O DLE A 4 7.658 -5.522 -8.764 1.00 42.53 O HETATM 0 HD23 DLE A 4 9.730 -1.477 -6.457 1.00 35.45 H new HETATM 0 HD22 DLE A 4 9.636 -2.705 -5.172 1.00 35.45 H new HETATM 0 HD21 DLE A 4 11.031 -1.602 -5.249 1.00 35.45 H new HETATM 0 HD13 DLE A 4 12.607 -3.112 -8.170 1.00 64.22 H new HETATM 0 HD12 DLE A 4 11.484 -1.733 -8.259 1.00 64.22 H new HETATM 0 HD11 DLE A 4 12.689 -1.817 -6.952 1.00 64.22 H new HETATM 0 HG DLE A 4 11.562 -3.854 -6.083 1.00 23.44 H new HETATM 0 HB3 DLE A 4 10.669 -4.687 -8.189 1.00 3.33 H new HETATM 0 HB2 DLE A 4 9.581 -3.318 -8.307 1.00 3.33 H new HETATM 0 HA DLE A 4 9.435 -5.301 -6.028 1.00 60.11 H new HETATM 0 H DLE A 4 7.948 -2.939 -6.546 1.00 5.53 H new HETATM 51 N DPR A 5 8.610 -7.167 -7.551 1.00 41.32 N HETATM 52 CA DPR A 5 8.002 -8.250 -8.323 1.00 2.22 C HETATM 53 CB DPR A 5 8.253 -9.507 -7.465 1.00 43.43 C HETATM 54 CG DPR A 5 8.910 -9.024 -6.207 1.00 2.01 C HETATM 55 CD DPR A 5 9.522 -7.696 -6.524 1.00 60.51 C HETATM 56 C DPR A 5 8.627 -8.409 -9.717 1.00 41.04 C HETATM 57 O DPR A 5 9.642 -7.783 -10.035 1.00 13.43 O HETATM 0 HG3 DPR A 5 8.182 -8.932 -5.401 1.00 2.01 H new HETATM 0 HG2 DPR A 5 9.670 -9.730 -5.871 1.00 2.01 H new HETATM 0 HD3 DPR A 5 10.541 -7.797 -6.898 1.00 60.51 H new HETATM 0 HD2 DPR A 5 9.567 -7.049 -5.648 1.00 60.51 H new HETATM 0 HB3 DPR A 5 7.318 -10.022 -7.244 1.00 43.43 H new HETATM 0 HB2 DPR A 5 8.891 -10.217 -7.991 1.00 43.43 H new HETATM 0 HA DPR A 5 6.946 -8.059 -8.512 1.00 2.22 H new HETATM 65 N DHI A 6 8.023 -9.250 -10.540 1.00 14.12 N HETATM 66 CA DHI A 6 8.518 -9.463 -11.897 1.00 34.14 C HETATM 67 C DHI A 6 9.798 -10.295 -11.872 1.00 52.11 C HETATM 68 O DHI A 6 9.921 -11.216 -11.063 1.00 63.51 O HETATM 69 CB DHI A 6 7.458 -10.120 -12.822 1.00 52.31 C HETATM 70 CG DHI A 6 7.166 -11.576 -12.570 1.00 75.41 C HETATM 71 ND1 DHI A 6 7.603 -12.580 -13.403 1.00 55.14 N HETATM 72 CD2 DHI A 6 6.469 -12.190 -11.588 1.00 4.11 C HETATM 73 CE1 DHI A 6 7.194 -13.733 -12.948 1.00 54.24 C HETATM 74 NE2 DHI A 6 6.504 -13.532 -11.849 1.00 75.21 N HETATM 0 HE2 DHI A 6 6.066 -14.258 -11.282 1.00 75.21 H new HETATM 0 HE1 DHI A 6 7.392 -14.703 -13.405 1.00 54.24 H new HETATM 0 HD2 DHI A 6 5.973 -11.707 -10.747 1.00 4.11 H new HETATM 0 HD1 DHI A 6 8.161 -12.444 -14.246 1.00 55.14 H new HETATM 0 HB3 DHI A 6 6.527 -9.562 -12.726 1.00 52.31 H new HETATM 0 HB2 DHI A 6 7.790 -10.011 -13.855 1.00 52.31 H new HETATM 0 HA DHI A 6 8.737 -8.481 -12.315 1.00 34.14 H new HETATM 83 N DLE A 7 10.729 -9.935 -12.747 1.00 53.43 N HETATM 84 CA DLE A 7 12.044 -10.557 -12.911 1.00 72.00 C HETATM 85 CB DLE A 7 11.980 -12.088 -13.048 1.00 74.21 C HETATM 86 CG DLE A 7 11.284 -12.613 -14.308 1.00 3.12 C HETATM 87 CD1 DLE A 7 12.023 -12.162 -15.567 1.00 34.12 C HETATM 88 CD2 DLE A 7 11.178 -14.120 -14.261 1.00 13.10 C HETATM 89 C DLE A 7 12.996 -10.114 -11.821 1.00 34.34 C HETATM 90 O DLE A 7 14.020 -10.756 -11.567 1.00 61.34 O HETATM 0 HD23 DLE A 7 12.176 -14.553 -14.200 1.00 13.10 H new HETATM 0 HD22 DLE A 7 10.600 -14.417 -13.386 1.00 13.10 H new HETATM 0 HD21 DLE A 7 10.681 -14.478 -15.163 1.00 13.10 H new HETATM 0 HD13 DLE A 7 12.044 -11.073 -15.606 1.00 34.12 H new HETATM 0 HD12 DLE A 7 13.044 -12.544 -15.546 1.00 34.12 H new HETATM 0 HD11 DLE A 7 11.510 -12.547 -16.448 1.00 34.12 H new HETATM 0 HG DLE A 7 10.277 -12.196 -14.342 1.00 3.12 H new HETATM 0 HB3 DLE A 7 12.997 -12.479 -13.027 1.00 74.21 H new HETATM 0 HB2 DLE A 7 11.465 -12.491 -12.176 1.00 74.21 H new HETATM 0 HA DLE A 7 12.442 -10.202 -13.862 1.00 72.00 H new HETATM 102 N DLY A 8 12.709 -8.972 -11.238 1.00 63.55 N HETATM 103 CA DLY A 8 13.543 -8.414 -10.177 1.00 73.54 C HETATM 104 C DLY A 8 14.105 -7.093 -10.604 1.00 30.31 C HETATM 105 O DLY A 8 13.790 -6.612 -11.672 1.00 35.10 O HETATM 106 CB DLY A 8 12.797 -8.239 -8.833 1.00 71.41 C HETATM 107 CG DLY A 8 12.644 -9.491 -7.971 1.00 4.31 C HETATM 108 CD DLY A 8 11.760 -10.538 -8.606 1.00 23.31 C HETATM 109 CE DLY A 8 11.582 -11.756 -7.715 1.00 65.34 C HETATM 110 NZ DLY A 8 12.847 -12.483 -7.482 1.00 2.32 N HETATM 0 HZ2 DLY A 8 12.854 -13.319 -6.898 1.00 2.32 H new HETATM 0 HZ1 DLY A 8 13.713 -12.148 -7.905 1.00 2.32 H new HETATM 0 HG3 DLY A 8 13.629 -9.919 -7.784 1.00 4.31 H new HETATM 0 HG2 DLY A 8 12.229 -9.211 -7.003 1.00 4.31 H new HETATM 0 HE3 DLY A 8 11.166 -11.443 -6.757 1.00 65.34 H new HETATM 0 HE2 DLY A 8 10.858 -12.432 -8.171 1.00 65.34 H new HETATM 0 HD3 DLY A 8 10.784 -10.104 -8.824 1.00 23.31 H new HETATM 0 HD2 DLY A 8 12.191 -10.846 -9.558 1.00 23.31 H new HETATM 0 HB3 DLY A 8 13.321 -7.484 -8.248 1.00 71.41 H new HETATM 0 HB2 DLY A 8 11.802 -7.846 -9.043 1.00 71.41 H new HETATM 0 HA DLY A 8 14.342 -9.136 -10.009 1.00 73.54 H new HETATM 124 N DLE A 9 14.947 -6.541 -9.774 1.00 32.05 N HETATM 125 CA DLE A 9 15.559 -5.234 -9.974 1.00 53.40 C HETATM 126 CB DLE A 9 16.560 -4.958 -8.821 1.00 35.52 C HETATM 127 CG DLE A 9 16.182 -5.454 -7.385 1.00 1.43 C HETATM 128 CD1 DLE A 9 17.278 -5.103 -6.399 1.00 15.54 C HETATM 129 CD2 DLE A 9 14.838 -4.914 -6.890 1.00 2.24 C HETATM 130 C DLE A 9 14.525 -4.096 -10.107 1.00 25.41 C HETATM 131 O DLE A 9 13.382 -4.247 -9.707 1.00 60.03 O HETATM 0 HD23 DLE A 9 14.872 -3.825 -6.862 1.00 2.24 H new HETATM 0 HD22 DLE A 9 14.046 -5.235 -7.566 1.00 2.24 H new HETATM 0 HD21 DLE A 9 14.638 -5.297 -5.889 1.00 2.24 H new HETATM 0 HD13 DLE A 9 18.209 -5.580 -6.705 1.00 15.54 H new HETATM 0 HD12 DLE A 9 17.414 -4.022 -6.376 1.00 15.54 H new HETATM 0 HD11 DLE A 9 17.000 -5.455 -5.405 1.00 15.54 H new HETATM 0 HG DLE A 9 16.078 -6.537 -7.453 1.00 1.43 H new HETATM 0 HB3 DLE A 9 17.514 -5.412 -9.091 1.00 35.52 H new HETATM 0 HB2 DLE A 9 16.722 -3.881 -8.770 1.00 35.52 H new HETATM 0 HA DLE A 9 16.092 -5.256 -10.925 1.00 53.40 H new HETATM 0 H DLE A 9 15.207 -7.108 -8.967 1.00 32.05 H new HETATM 143 N DCY A 10 14.936 -2.988 -10.693 1.00 43.00 N HETATM 144 CA DCY A 10 14.086 -1.809 -10.817 1.00 55.53 C HETATM 145 C DCY A 10 14.492 -0.724 -9.865 1.00 13.32 C HETATM 146 O DCY A 10 15.619 -0.711 -9.341 1.00 21.32 O HETATM 147 CB DCY A 10 14.136 -1.196 -12.217 1.00 32.43 C HETATM 148 SG DCY A 10 12.959 -1.845 -13.426 1.00 73.41 S HETATM 0 HB3 DCY A 10 13.973 -0.122 -12.125 1.00 32.43 H new HETATM 0 HB2 DCY A 10 15.142 -1.333 -12.613 1.00 32.43 H new HETATM 0 HA DCY A 10 13.081 -2.168 -10.595 1.00 55.53 H new HETATM 153 N DLY A 11 13.569 0.182 -9.650 1.00 2.32 N HETATM 154 CA DLY A 11 13.809 1.384 -8.915 1.00 40.22 C HETATM 155 C DLY A 11 12.812 2.442 -9.403 1.00 74.40 C HETATM 156 O DLY A 11 13.135 3.639 -9.492 1.00 3.12 O HETATM 157 CB DLY A 11 13.750 1.153 -7.399 1.00 31.44 C HETATM 158 CG DLY A 11 14.141 2.375 -6.572 1.00 24.14 C HETATM 159 CD DLY A 11 15.525 2.878 -6.962 1.00 13.25 C HETATM 160 CE DLY A 11 15.910 4.109 -6.180 1.00 33.24 C HETATM 161 NZ DLY A 11 17.191 4.678 -6.641 1.00 12.02 N HETATM 0 HZ2 DLY A 11 17.567 5.515 -6.195 1.00 12.02 H new HETATM 0 HZ1 DLY A 11 17.700 4.235 -7.406 1.00 12.02 H new HETATM 0 HG3 DLY A 11 13.407 3.168 -6.719 1.00 24.14 H new HETATM 0 HG2 DLY A 11 14.128 2.121 -5.512 1.00 24.14 H new HETATM 0 HE3 DLY A 11 15.125 4.859 -6.275 1.00 33.24 H new HETATM 0 HE2 DLY A 11 15.985 3.858 -5.122 1.00 33.24 H new HETATM 0 HD3 DLY A 11 16.260 2.092 -6.789 1.00 13.25 H new HETATM 0 HD2 DLY A 11 15.544 3.103 -8.028 1.00 13.25 H new HETATM 0 HB3 DLY A 11 12.739 0.850 -7.126 1.00 31.44 H new HETATM 0 HB2 DLY A 11 14.411 0.325 -7.141 1.00 31.44 H new HETATM 0 HA DLY A 11 14.822 1.741 -9.099 1.00 40.22 H new HETATM 0 H DLY A 11 12.832 0.154 -10.354 1.00 2.32 H new HETATM 175 N DGL A 12 11.604 1.989 -9.723 1.00 22.34 N HETATM 176 CA DGL A 12 10.607 2.802 -10.392 1.00 15.12 C HETATM 177 C DGL A 12 9.558 1.878 -10.999 1.00 64.53 C HETATM 178 O DGL A 12 9.087 0.959 -10.330 1.00 63.45 O HETATM 179 CB DGL A 12 9.942 3.809 -9.455 1.00 1.15 C HETATM 180 CG DGL A 12 9.009 4.758 -10.184 1.00 50.41 C HETATM 181 CD DGL A 12 8.304 5.702 -9.273 1.00 11.03 C HETATM 182 OE1 DGL A 12 8.836 6.788 -8.986 1.00 71.01 O HETATM 183 OE2 DGL A 12 7.196 5.389 -8.843 1.00 34.45 O HETATM 0 HG3 DGL A 12 9.581 5.328 -10.916 1.00 50.41 H new HETATM 0 HG2 DGL A 12 8.271 4.178 -10.738 1.00 50.41 H new HETATM 0 HB3 DGL A 12 9.382 3.272 -8.689 1.00 1.15 H new HETATM 0 HB2 DGL A 12 10.712 4.385 -8.942 1.00 1.15 H new HETATM 0 HA DGL A 12 11.106 3.384 -11.167 1.00 15.12 H new HETATM 0 H DGL A 12 11.517 0.973 -9.722 1.00 22.34 H new HETATM 190 N DSG A 13 9.201 2.129 -12.249 1.00 11.52 N HETATM 191 CA DSG A 13 8.245 1.299 -12.999 1.00 43.32 C HETATM 192 C DSG A 13 6.896 1.225 -12.307 1.00 0.23 C HETATM 193 O DSG A 13 6.307 0.164 -12.206 1.00 70.11 O HETATM 194 CB DSG A 13 8.071 1.789 -14.466 1.00 35.21 C HETATM 195 CG DSG A 13 7.353 3.122 -14.610 1.00 13.31 C HETATM 196 OD1 DSG A 13 6.131 3.171 -14.740 1.00 24.44 O HETATM 197 ND2 DSG A 13 8.091 4.203 -14.593 1.00 21.23 N HETATM 0 HD22 DSG A 13 7.654 5.120 -14.686 1.00 21.23 H new HETATM 0 HD21 DSG A 13 9.103 4.128 -14.487 1.00 21.23 H new HETATM 0 HB3 DSG A 13 9.056 1.871 -14.927 1.00 35.21 H new HETATM 0 HB2 DSG A 13 7.519 1.033 -15.024 1.00 35.21 H new HETATM 0 HA DSG A 13 8.669 0.295 -13.027 1.00 43.32 H new HETATM 204 N DLY A 14 6.453 2.341 -11.764 1.00 72.02 N HETATM 205 CA DLY A 14 5.161 2.418 -11.108 1.00 53.23 C HETATM 206 C DLY A 14 5.227 1.646 -9.781 1.00 24.34 C HETATM 207 O DLY A 14 4.221 1.119 -9.294 1.00 25.12 O HETATM 208 CB DLY A 14 4.778 3.917 -10.921 1.00 11.24 C HETATM 209 CG DLY A 14 3.308 4.216 -10.563 1.00 11.40 C HETATM 210 CD DLY A 14 2.957 3.903 -9.115 1.00 44.43 C HETATM 211 CE DLY A 14 1.466 4.058 -8.852 1.00 32.31 C HETATM 212 NZ DLY A 14 0.977 5.431 -9.115 1.00 1.35 N HETATM 0 HZ2 DLY A 14 -0.008 5.657 -8.974 1.00 1.35 H new HETATM 0 HZ1 DLY A 14 1.625 6.150 -9.437 1.00 1.35 H new HETATM 0 HG3 DLY A 14 3.102 5.268 -10.759 1.00 11.40 H new HETATM 0 HG2 DLY A 14 2.658 3.637 -11.219 1.00 11.40 H new HETATM 0 HE3 DLY A 14 0.916 3.355 -9.478 1.00 32.31 H new HETATM 0 HE2 DLY A 14 1.255 3.794 -7.816 1.00 32.31 H new HETATM 0 HD3 DLY A 14 3.265 2.885 -8.878 1.00 44.43 H new HETATM 0 HD2 DLY A 14 3.514 4.566 -8.454 1.00 44.43 H new HETATM 0 HB3 DLY A 14 5.411 4.335 -10.138 1.00 11.24 H new HETATM 0 HB2 DLY A 14 5.019 4.447 -11.842 1.00 11.24 H new HETATM 0 HA DLY A 14 4.380 1.956 -11.712 1.00 53.23 H new HETATM 226 N DAS A 15 6.432 1.515 -9.259 1.00 33.45 N HETATM 227 CA DAS A 15 6.653 0.836 -7.999 1.00 70.40 C HETATM 228 C DAS A 15 6.883 -0.657 -8.252 1.00 55.12 C HETATM 229 O DAS A 15 6.940 -1.455 -7.334 1.00 43.11 O HETATM 230 CB DAS A 15 7.826 1.472 -7.246 1.00 3.45 C HETATM 231 CG DAS A 15 7.840 1.140 -5.762 1.00 74.31 C HETATM 232 OD1 DAS A 15 8.824 0.572 -5.265 1.00 51.32 O HETATM 233 OD2 DAS A 15 6.874 1.513 -5.051 1.00 23.42 O HETATM 0 HD2 DAS A 15 6.927 1.080 -4.173 1.00 23.42 H new HETATM 0 HB3 DAS A 15 8.761 1.137 -7.695 1.00 3.45 H new HETATM 0 HB2 DAS A 15 7.783 2.554 -7.369 1.00 3.45 H new HETATM 0 HA DAS A 15 5.769 0.941 -7.369 1.00 70.40 H new HETATM 238 N DCY A 16 7.038 -1.024 -9.512 1.00 62.40 N HETATM 239 CA DCY A 16 7.084 -2.428 -9.893 1.00 53.12 C HETATM 240 C DCY A 16 5.636 -2.940 -9.942 1.00 64.31 C HETATM 241 O DCY A 16 4.752 -2.226 -10.416 1.00 62.10 O HETATM 242 CB DCY A 16 7.702 -2.617 -11.294 1.00 34.50 C HETATM 243 SG DCY A 16 9.347 -1.869 -11.576 1.00 70.01 S HETATM 0 HB3 DCY A 16 7.777 -3.686 -11.491 1.00 34.50 H new HETATM 0 HB2 DCY A 16 7.011 -2.205 -12.029 1.00 34.50 H new HETATM 0 HA DCY A 16 7.695 -2.970 -9.171 1.00 53.12 H new HETATM 248 N DCY A 17 5.393 -4.151 -9.466 1.00 25.11 N HETATM 249 CA DCY A 17 4.043 -4.744 -9.467 1.00 74.45 C HETATM 250 C DCY A 17 3.550 -4.916 -10.896 1.00 12.14 C HETATM 251 O DCY A 17 2.419 -4.584 -11.233 1.00 72.54 O HETATM 252 CB DCY A 17 4.063 -6.124 -8.792 1.00 11.21 C HETATM 253 SG DCY A 17 4.762 -6.166 -7.110 1.00 4.20 S HETATM 0 HB3 DCY A 17 3.042 -6.504 -8.752 1.00 11.21 H new HETATM 0 HB2 DCY A 17 4.633 -6.808 -9.421 1.00 11.21 H new HETATM 0 HA DCY A 17 3.379 -4.075 -8.919 1.00 74.45 H new HETATM 258 N DSN A 18 4.428 -5.401 -11.737 1.00 52.14 N HETATM 259 CA DSN A 18 4.113 -5.660 -13.112 1.00 71.40 C HETATM 260 C DSN A 18 4.270 -4.386 -13.961 1.00 53.32 C HETATM 261 O DSN A 18 3.938 -4.370 -15.142 1.00 33.14 O HETATM 262 CB DSN A 18 5.039 -6.757 -13.578 1.00 1.53 C HETATM 263 OG DSN A 18 5.033 -7.818 -12.627 1.00 73.23 O HETATM 0 HG DSN A 18 4.578 -8.597 -13.009 1.00 73.23 H new HETATM 0 HB3 DSN A 18 4.721 -7.126 -14.553 1.00 1.53 H new HETATM 0 HB2 DSN A 18 6.050 -6.368 -13.698 1.00 1.53 H new HETATM 0 HA DSN A 18 3.075 -5.973 -13.221 1.00 71.40 H new HETATM 269 N DLY A 19 4.781 -3.334 -13.318 1.00 23.43 N HETATM 270 CA DLY A 19 5.007 -1.986 -13.870 1.00 63.10 C HETATM 271 C DLY A 19 6.013 -1.905 -15.056 1.00 75.43 C HETATM 272 O DLY A 19 6.598 -0.860 -15.293 1.00 14.31 O HETATM 273 CB DLY A 19 3.680 -1.292 -14.197 1.00 52.54 C HETATM 274 CG DLY A 19 3.804 0.208 -14.382 1.00 63.31 C HETATM 275 CD DLY A 19 2.462 0.850 -14.623 1.00 63.02 C HETATM 276 CE DLY A 19 2.578 2.369 -14.666 1.00 22.34 C HETATM 277 NZ DLY A 19 3.509 2.838 -15.717 1.00 42.21 N HETATM 0 HZ2 DLY A 19 3.672 3.837 -15.846 1.00 42.21 H new HETATM 0 HZ1 DLY A 19 3.988 2.162 -16.313 1.00 42.21 H new HETATM 0 HG3 DLY A 19 4.265 0.647 -13.497 1.00 63.31 H new HETATM 0 HG2 DLY A 19 4.465 0.418 -15.223 1.00 63.31 H new HETATM 0 HE3 DLY A 19 1.592 2.800 -14.840 1.00 22.34 H new HETATM 0 HE2 DLY A 19 2.918 2.732 -13.696 1.00 22.34 H new HETATM 0 HD3 DLY A 19 2.046 0.488 -15.563 1.00 63.02 H new HETATM 0 HD2 DLY A 19 1.769 0.558 -13.834 1.00 63.02 H new HETATM 0 HB3 DLY A 19 3.267 -1.728 -15.107 1.00 52.54 H new HETATM 0 HB2 DLY A 19 2.969 -1.492 -13.396 1.00 52.54 H new HETATM 0 HA DLY A 19 5.505 -1.439 -13.069 1.00 63.10 H new HETATM 291 N DLY A 20 6.224 -2.987 -15.770 1.00 14.34 N HETATM 292 CA DLY A 20 7.110 -2.968 -16.921 1.00 14.22 C HETATM 293 C DLY A 20 8.569 -3.016 -16.481 1.00 13.42 C HETATM 294 O DLY A 20 9.128 -4.083 -16.246 1.00 14.50 O HETATM 295 CB DLY A 20 6.805 -4.130 -17.875 1.00 22.24 C HETATM 296 CG DLY A 20 5.326 -4.284 -18.205 1.00 75.43 C HETATM 297 CD DLY A 20 5.065 -5.340 -19.279 1.00 62.23 C HETATM 298 CE DLY A 20 5.670 -6.708 -18.953 1.00 31.30 C HETATM 299 NZ DLY A 20 5.199 -7.273 -17.669 1.00 43.12 N HETATM 0 HZ2 DLY A 20 5.540 -8.182 -17.356 1.00 43.12 H new HETATM 0 HZ1 DLY A 20 4.533 -6.754 -17.097 1.00 43.12 H new HETATM 0 HG3 DLY A 20 4.782 -4.552 -17.299 1.00 75.43 H new HETATM 0 HG2 DLY A 20 4.932 -3.325 -18.542 1.00 75.43 H new HETATM 0 HE3 DLY A 20 5.429 -7.404 -19.757 1.00 31.30 H new HETATM 0 HE2 DLY A 20 6.756 -6.618 -18.924 1.00 31.30 H new HETATM 0 HD3 DLY A 20 3.989 -5.451 -19.414 1.00 62.23 H new HETATM 0 HD2 DLY A 20 5.471 -4.989 -20.228 1.00 62.23 H new HETATM 0 HB3 DLY A 20 7.361 -3.983 -18.801 1.00 22.24 H new HETATM 0 HB2 DLY A 20 7.167 -5.057 -17.430 1.00 22.24 H new HETATM 0 HA DLY A 20 6.937 -2.034 -17.456 1.00 14.22 H new HETATM 313 N DCY A 21 9.150 -1.873 -16.333 1.00 32.23 N HETATM 314 CA DCY A 21 10.526 -1.752 -15.921 1.00 22.10 C HETATM 315 C DCY A 21 11.400 -1.544 -17.143 1.00 0.30 C HETATM 316 O DCY A 21 11.371 -0.479 -17.770 1.00 2.42 O HETATM 317 CB DCY A 21 10.653 -0.581 -14.950 1.00 71.42 C HETATM 318 SG DCY A 21 12.340 -0.182 -14.399 1.00 62.12 S HETATM 0 HB3 DCY A 21 10.227 0.304 -15.422 1.00 71.42 H new HETATM 0 HB2 DCY A 21 10.046 -0.796 -14.071 1.00 71.42 H new HETATM 0 HA DCY A 21 10.853 -2.661 -15.416 1.00 22.10 H new HETATM 323 N DLY A 22 12.149 -2.565 -17.517 1.00 25.54 N HETATM 324 CA DLY A 22 12.991 -2.500 -18.710 1.00 20.21 C HETATM 325 C DLY A 22 14.308 -3.215 -18.477 1.00 4.52 C HETATM 326 O DLY A 22 14.372 -4.178 -17.710 1.00 32.55 O HETATM 327 CB DLY A 22 12.282 -3.122 -19.939 1.00 41.34 C HETATM 328 CG DLY A 22 11.018 -2.395 -20.401 1.00 11.01 C HETATM 329 CD DLY A 22 10.411 -3.023 -21.656 1.00 23.34 C HETATM 330 CE DLY A 22 9.984 -4.467 -21.426 1.00 32.53 C HETATM 331 NZ DLY A 22 9.354 -5.075 -22.616 1.00 5.24 N HETATM 0 HZ2 DLY A 22 9.026 -6.040 -22.583 1.00 5.24 H new HETATM 0 HZ1 DLY A 22 9.247 -4.529 -23.471 1.00 5.24 H new HETATM 0 HG3 DLY A 22 10.281 -2.408 -19.598 1.00 11.01 H new HETATM 0 HG2 DLY A 22 11.255 -1.350 -20.599 1.00 11.01 H new HETATM 0 HE3 DLY A 22 10.855 -5.057 -21.140 1.00 32.53 H new HETATM 0 HE2 DLY A 22 9.285 -4.505 -20.591 1.00 32.53 H new HETATM 0 HD3 DLY A 22 9.549 -2.437 -21.973 1.00 23.34 H new HETATM 0 HD2 DLY A 22 11.138 -2.985 -22.467 1.00 23.34 H new HETATM 0 HB3 DLY A 22 12.988 -3.152 -20.769 1.00 41.34 H new HETATM 0 HB2 DLY A 22 12.022 -4.154 -19.704 1.00 41.34 H new HETATM 0 HA DLY A 22 13.181 -1.446 -18.913 1.00 20.21 H new HETATM 0 H DLY A 22 12.483 -3.048 -16.683 1.00 25.54 H new HETATM 345 N DAR A 23 15.342 -2.761 -19.135 1.00 4.22 N HETATM 346 CA DAR A 23 16.647 -3.399 -19.039 1.00 32.02 C HETATM 347 CB DAR A 23 17.801 -2.388 -19.227 1.00 0.42 C HETATM 348 CG DAR A 23 17.777 -1.664 -20.564 1.00 12.11 C HETATM 349 CD DAR A 23 19.087 -0.949 -20.858 1.00 62.32 C HETATM 350 NE DAR A 23 19.434 0.053 -19.853 1.00 2.34 N HETATM 351 CZ DAR A 23 19.410 1.382 -20.065 1.00 1.20 C HETATM 352 NH1 DAR A 23 18.895 1.873 -21.203 1.00 14.35 N HETATM 353 NH2 DAR A 23 19.859 2.211 -19.131 1.00 12.55 N HETATM 354 C DAR A 23 16.761 -4.455 -20.113 1.00 25.43 C HETATM 355 O DAR A 23 15.857 -4.587 -20.954 1.00 42.15 O HETATM 0 HH22 DAR A 23 19.841 3.218 -19.292 1.00 12.55 H new HETATM 0 HH21 DAR A 23 20.222 1.841 -18.253 1.00 12.55 H new HETATM 0 HH12 DAR A 23 18.878 2.880 -21.362 1.00 14.35 H new HETATM 0 HH11 DAR A 23 18.521 1.239 -21.909 1.00 14.35 H new HETATM 0 HG3 DAR A 23 17.571 -2.381 -21.359 1.00 12.11 H new HETATM 0 HG2 DAR A 23 16.962 -0.940 -20.568 1.00 12.11 H new HETATM 0 HE DAR A 23 19.713 -0.277 -18.929 1.00 2.34 H new HETATM 0 HD3 DAR A 23 19.889 -1.685 -20.920 1.00 62.32 H new HETATM 0 HD2 DAR A 23 19.020 -0.468 -21.834 1.00 62.32 H new HETATM 0 HB3 DAR A 23 17.759 -1.651 -18.425 1.00 0.42 H new HETATM 0 HB2 DAR A 23 18.751 -2.913 -19.127 1.00 0.42 H new HETATM 0 HA DAR A 23 16.729 -3.835 -18.043 1.00 32.02 H new HETATM 0 H DAR A 23 15.276 -1.758 -19.308 1.00 4.22 H new HETATM 369 N DAR A 24 17.855 -5.209 -20.071 1.00 45.20 N HETATM 370 CA DAR A 24 18.223 -6.181 -21.106 1.00 63.12 C HETATM 371 CB DAR A 24 18.300 -5.513 -22.482 1.00 44.23 C HETATM 372 CG DAR A 24 19.404 -4.478 -22.563 1.00 42.14 C HETATM 373 CD DAR A 24 19.255 -3.579 -23.770 1.00 1.52 C HETATM 374 NE DAR A 24 19.287 -4.306 -25.041 1.00 54.11 N HETATM 375 CZ DAR A 24 20.055 -3.970 -26.091 1.00 45.30 C HETATM 376 NH1 DAR A 24 20.919 -2.957 -26.001 1.00 71.41 N HETATM 377 NH2 DAR A 24 19.955 -4.640 -27.231 1.00 62.21 N HETATM 378 C DAR A 24 17.334 -7.415 -21.107 1.00 40.42 C HETATM 379 O DAR A 24 16.339 -7.501 -20.362 1.00 24.01 O HETATM 0 HH22 DAR A 24 20.539 -4.383 -28.027 1.00 62.21 H new HETATM 0 HH21 DAR A 24 19.294 -5.412 -27.312 1.00 62.21 H new HETATM 0 HH12 DAR A 24 21.498 -2.708 -26.803 1.00 71.41 H new HETATM 0 HH11 DAR A 24 21.000 -2.432 -25.131 1.00 71.41 H new HETATM 0 HG3 DAR A 24 19.399 -3.872 -21.657 1.00 42.14 H new HETATM 0 HG2 DAR A 24 20.370 -4.982 -22.604 1.00 42.14 H new HETATM 0 HE DAR A 24 18.685 -5.124 -25.136 1.00 54.11 H new HETATM 0 HD3 DAR A 24 18.314 -3.034 -23.695 1.00 1.52 H new HETATM 0 HD2 DAR A 24 20.054 -2.838 -23.763 1.00 1.52 H new HETATM 0 HB3 DAR A 24 18.464 -6.275 -23.244 1.00 44.23 H new HETATM 0 HB2 DAR A 24 17.345 -5.039 -22.706 1.00 44.23 H new HETATM 0 HA DAR A 24 19.220 -6.546 -20.860 1.00 63.12 H new ATOM 393 N GLY A 25 17.723 -8.390 -21.882 1.00 65.52 N ATOM 394 CA GLY A 25 16.973 -9.598 -21.979 1.00 71.25 C ATOM 395 C GLY A 25 17.390 -10.594 -20.946 1.00 22.23 C ATOM 396 O GLY A 25 18.207 -11.478 -21.215 1.00 55.44 O ATOM 0 H GLY A 25 18.564 -8.364 -22.458 1.00 65.52 H new ATOM 0 HA2 GLY A 25 15.912 -9.377 -21.864 1.00 71.25 H new ATOM 0 HA3 GLY A 25 17.103 -10.028 -22.972 1.00 71.25 H new HETATM 400 N DTH A 26 16.867 -10.445 -19.761 1.00 33.21 N HETATM 401 CA DTH A 26 17.180 -11.349 -18.689 1.00 31.33 C HETATM 402 CB DTH A 26 16.011 -11.442 -17.671 1.00 21.22 C HETATM 403 CG2 DTH A 26 15.762 -10.105 -16.972 1.00 22.11 C HETATM 404 OG1 DTH A 26 14.817 -11.830 -18.373 1.00 23.34 O HETATM 405 C DTH A 26 18.498 -10.969 -18.000 1.00 63.41 C HETATM 406 O DTH A 26 19.169 -11.815 -17.427 1.00 50.22 O HETATM 0 HG23 DTH A 26 16.661 -9.802 -16.435 1.00 22.11 H new HETATM 0 HG22 DTH A 26 15.511 -9.348 -17.714 1.00 22.11 H new HETATM 0 HG21 DTH A 26 14.937 -10.211 -16.268 1.00 22.11 H new HETATM 0 HG1 DTH A 26 14.072 -11.894 -17.740 1.00 23.34 H new HETATM 0 HB DTH A 26 16.277 -12.177 -16.911 1.00 21.22 H new HETATM 0 HA DTH A 26 17.316 -12.339 -19.123 1.00 31.33 H new HETATM 0 H DTH A 26 15.967 -9.964 -19.777 1.00 33.21 H new HETATM 414 N DSG A 27 18.875 -9.702 -18.101 1.00 74.11 N HETATM 415 CA DSG A 27 20.096 -9.198 -17.495 1.00 62.32 C HETATM 416 C DSG A 27 20.328 -7.806 -18.042 1.00 74.25 C HETATM 417 O DSG A 27 19.411 -7.230 -18.600 1.00 33.45 O HETATM 418 CB DSG A 27 19.957 -9.142 -15.964 1.00 2.12 C HETATM 419 CG DSG A 27 21.268 -8.883 -15.238 1.00 63.13 C HETATM 420 OD1 DSG A 27 21.665 -7.740 -15.039 1.00 25.01 O HETATM 421 ND2 DSG A 27 21.929 -9.927 -14.827 1.00 1.33 N HETATM 0 HD22 DSG A 27 22.814 -9.809 -14.335 1.00 1.33 H new HETATM 0 HD21 DSG A 27 21.561 -10.863 -14.998 1.00 1.33 H new HETATM 0 HB3 DSG A 27 19.246 -8.359 -15.701 1.00 2.12 H new HETATM 0 HB2 DSG A 27 19.537 -10.084 -15.612 1.00 2.12 H new HETATM 0 HA DSG A 27 20.934 -9.855 -17.729 1.00 62.32 H new HETATM 0 H DSG A 27 18.357 -9.123 -18.763 1.00 74.11 H new HETATM 428 N DIL A 28 21.519 -7.271 -17.879 1.00 63.21 N HETATM 429 CA DIL A 28 21.863 -5.936 -18.394 1.00 24.21 C HETATM 430 C DIL A 28 21.184 -4.830 -17.585 1.00 0.35 C HETATM 431 O DIL A 28 20.930 -3.733 -18.099 1.00 41.12 O HETATM 432 CB DIL A 28 23.412 -5.662 -18.429 1.00 52.04 C HETATM 433 CG1 DIL A 28 24.156 -6.562 -19.450 1.00 5.22 C HETATM 434 CG2 DIL A 28 24.035 -5.805 -17.038 1.00 12.13 C HETATM 435 CD1 DIL A 28 24.216 -8.037 -19.101 1.00 13.10 C HETATM 0 HG23 DIL A 28 23.573 -5.091 -16.357 1.00 12.13 H new HETATM 0 HG22 DIL A 28 23.871 -6.817 -16.668 1.00 12.13 H new HETATM 0 HG21 DIL A 28 25.106 -5.609 -17.097 1.00 12.13 H new HETATM 0 HG13 DIL A 28 23.672 -6.456 -20.421 1.00 5.22 H new HETATM 0 HG12 DIL A 28 25.175 -6.191 -19.559 1.00 5.22 H new HETATM 0 HD13 DIL A 28 24.730 -8.165 -18.148 1.00 13.10 H new HETATM 0 HD12 DIL A 28 23.204 -8.434 -19.023 1.00 13.10 H new HETATM 0 HD11 DIL A 28 24.757 -8.574 -19.880 1.00 13.10 H new HETATM 0 HB DIL A 28 23.531 -4.631 -18.761 1.00 52.04 H new HETATM 0 HA DIL A 28 21.496 -5.924 -19.420 1.00 24.21 H new HETATM 447 N DGL A 29 20.887 -5.129 -16.341 1.00 23.51 N HETATM 448 CA DGL A 29 20.274 -4.179 -15.437 1.00 63.15 C HETATM 449 C DGL A 29 18.827 -3.873 -15.811 1.00 33.21 C HETATM 450 O DGL A 29 18.183 -4.626 -16.562 1.00 42.32 O HETATM 451 CB DGL A 29 20.340 -4.705 -14.008 1.00 73.11 C HETATM 452 CG DGL A 29 21.748 -4.812 -13.452 1.00 70.52 C HETATM 453 CD DGL A 29 22.424 -3.469 -13.352 1.00 52.10 C HETATM 454 OE1 DGL A 29 22.035 -2.660 -12.478 1.00 13.41 O HETATM 455 OE2 DGL A 29 23.357 -3.191 -14.130 1.00 45.53 O HETATM 0 HG3 DGL A 29 21.713 -5.274 -12.465 1.00 70.52 H new HETATM 0 HG2 DGL A 29 22.340 -5.468 -14.090 1.00 70.52 H new HETATM 0 HB3 DGL A 29 19.755 -4.049 -13.363 1.00 73.11 H new HETATM 0 HB2 DGL A 29 19.871 -5.688 -13.972 1.00 73.11 H new HETATM 0 HA DGL A 29 20.834 -3.247 -15.516 1.00 63.15 H new HETATM 462 N DLY A 30 18.342 -2.768 -15.297 1.00 51.40 N HETATM 463 CA DLY A 30 16.980 -2.332 -15.473 1.00 22.30 C HETATM 464 C DLY A 30 16.151 -3.167 -14.512 1.00 32.10 C HETATM 465 O DLY A 30 16.373 -3.110 -13.297 1.00 23.53 O HETATM 466 CB DLY A 30 16.893 -0.850 -15.084 1.00 61.24 C HETATM 467 CG DLY A 30 15.587 -0.147 -15.419 1.00 44.44 C HETATM 468 CD DLY A 30 15.439 0.109 -16.911 1.00 52.35 C HETATM 469 CE DLY A 30 14.205 0.961 -17.211 1.00 0.24 C HETATM 470 NZ DLY A 30 14.265 2.303 -16.575 1.00 41.45 N HETATM 0 HZ2 DLY A 30 13.498 2.963 -16.703 1.00 41.45 H new HETATM 0 HZ1 DLY A 30 15.073 2.564 -16.010 1.00 41.45 H new HETATM 0 HG3 DLY A 30 14.750 -0.753 -15.071 1.00 44.44 H new HETATM 0 HG2 DLY A 30 15.539 0.801 -14.883 1.00 44.44 H new HETATM 0 HE3 DLY A 30 14.104 1.079 -18.290 1.00 0.24 H new HETATM 0 HE2 DLY A 30 13.314 0.438 -16.863 1.00 0.24 H new HETATM 0 HD3 DLY A 30 16.330 0.612 -17.286 1.00 52.35 H new HETATM 0 HD2 DLY A 30 15.364 -0.842 -17.439 1.00 52.35 H new HETATM 0 HB3 DLY A 30 17.062 -0.766 -14.010 1.00 61.24 H new HETATM 0 HB2 DLY A 30 17.706 -0.317 -15.577 1.00 61.24 H new HETATM 0 HA DLY A 30 16.631 -2.447 -16.499 1.00 22.30 H new HETATM 484 N DAR A 31 15.247 -3.972 -15.027 1.00 55.02 N HETATM 485 CA DAR A 31 14.523 -4.902 -14.186 1.00 72.03 C HETATM 486 CB DAR A 31 15.113 -6.308 -14.357 1.00 43.11 C HETATM 487 CG DAR A 31 16.566 -6.383 -13.918 1.00 24.22 C HETATM 488 CD DAR A 31 17.175 -7.738 -14.136 1.00 2.04 C HETATM 489 NE DAR A 31 16.588 -8.783 -13.292 1.00 61.11 N HETATM 490 CZ DAR A 31 17.284 -9.827 -12.800 1.00 61.20 C HETATM 491 NH1 DAR A 31 18.610 -9.825 -12.850 1.00 23.35 N HETATM 492 NH2 DAR A 31 16.659 -10.822 -12.196 1.00 31.22 N HETATM 493 C DAR A 31 13.022 -4.897 -14.454 1.00 11.41 C HETATM 494 O DAR A 31 12.573 -4.797 -15.619 1.00 1.41 O HETATM 0 HH22 DAR A 31 17.192 -11.609 -11.826 1.00 31.22 H new HETATM 0 HH21 DAR A 31 15.644 -10.803 -12.100 1.00 31.22 H new HETATM 0 HH12 DAR A 31 19.136 -10.616 -12.477 1.00 23.35 H new HETATM 0 HH11 DAR A 31 19.104 -9.033 -13.261 1.00 23.35 H new HETATM 0 HG3 DAR A 31 17.144 -5.638 -14.465 1.00 24.22 H new HETATM 0 HG2 DAR A 31 16.634 -6.126 -12.861 1.00 24.22 H new HETATM 0 HE DAR A 31 15.596 -8.716 -13.064 1.00 61.11 H new HETATM 0 HD3 DAR A 31 17.056 -8.017 -15.183 1.00 2.04 H new HETATM 0 HD2 DAR A 31 18.246 -7.682 -13.941 1.00 2.04 H new HETATM 0 HB3 DAR A 31 14.524 -7.019 -13.778 1.00 43.11 H new HETATM 0 HB2 DAR A 31 15.036 -6.607 -15.402 1.00 43.11 H new HETATM 0 HA DAR A 31 14.642 -4.579 -13.152 1.00 72.03 H new HETATM 508 N DCY A 32 12.256 -4.965 -13.376 1.00 13.13 N HETATM 509 CA DCY A 32 10.813 -5.024 -13.433 1.00 35.15 C HETATM 510 C DCY A 32 10.453 -6.403 -13.927 1.00 70.34 C HETATM 511 O DCY A 32 11.030 -7.386 -13.457 1.00 32.44 O HETATM 512 CB DCY A 32 10.204 -4.830 -12.032 1.00 2.02 C HETATM 513 SG DCY A 32 10.714 -3.312 -11.127 1.00 24.15 S HETATM 0 HB3 DCY A 32 9.118 -4.823 -12.129 1.00 2.02 H new HETATM 0 HB2 DCY A 32 10.464 -5.696 -11.423 1.00 2.02 H new HETATM 0 HA DCY A 32 10.431 -4.239 -14.086 1.00 35.15 H new HETATM 518 N DAR A 33 9.540 -6.495 -14.857 1.00 3.03 N HETATM 519 CA DAR A 33 9.175 -7.753 -15.447 1.00 2.40 C HETATM 520 CB DAR A 33 9.942 -7.956 -16.759 1.00 23.53 C HETATM 521 CG DAR A 33 9.551 -6.974 -17.851 1.00 4.33 C HETATM 522 CD DAR A 33 10.419 -7.117 -19.068 1.00 65.35 C HETATM 523 NE DAR A 33 11.791 -6.651 -18.829 1.00 52.50 N HETATM 524 CZ DAR A 33 12.846 -6.981 -19.586 1.00 32.04 C HETATM 525 NH1 DAR A 33 12.695 -7.808 -20.616 1.00 1.40 N HETATM 526 NH2 DAR A 33 14.039 -6.480 -19.308 1.00 13.22 N HETATM 527 C DAR A 33 7.681 -7.766 -15.705 1.00 23.32 C HETATM 528 O DAR A 33 7.071 -8.851 -15.722 1.00 0.13 O HETATM 529 OXT DAR A 33 7.098 -6.670 -15.872 1.00 0.00 O HETATM 0 HH22 DAR A 33 14.844 -6.730 -19.883 1.00 13.22 H new HETATM 0 HH21 DAR A 33 14.154 -5.844 -18.519 1.00 13.22 H new HETATM 0 HH12 DAR A 33 13.499 -8.058 -21.191 1.00 1.40 H new HETATM 0 HH11 DAR A 33 11.775 -8.192 -20.831 1.00 1.40 H new HETATM 0 HXT DAR A 33 7.340 -6.057 -15.147 1.00 0.00 H new HETATM 0 HG3 DAR A 33 8.509 -7.134 -18.127 1.00 4.33 H new HETATM 0 HG2 DAR A 33 9.627 -5.956 -17.468 1.00 4.33 H new HETATM 0 HE DAR A 33 11.952 -6.034 -18.033 1.00 52.50 H new HETATM 0 HD3 DAR A 33 10.441 -8.162 -19.376 1.00 65.35 H new HETATM 0 HD2 DAR A 33 9.983 -6.551 -19.891 1.00 65.35 H new HETATM 0 HB3 DAR A 33 11.010 -7.863 -16.564 1.00 23.53 H new HETATM 0 HB2 DAR A 33 9.771 -8.971 -17.117 1.00 23.53 H new HETATM 0 HA DAR A 33 9.431 -8.565 -14.767 1.00 2.40 H new TER 543 DAR A 33