USER MOD reduce.3.24.130724 H: found=0, std=0, add=254, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 278 hydrogens (270 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 2 DAS H2 : A 2 DAS N : A 1 GLY C :(H bumps) USER MOD NoAdj-H: A 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 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 24 DAR H2 : A 24 DAR N : A 23 DAR C :(H bumps) USER MOD NoAdj-H: A 26 DTH HN2 : A 26 DTH N : A 25 GLY C :(H bumps) USER MOD NoAdj-H: A 27 DSG H2 : A 27 DSG N : A 26 DTH C :(H bumps) USER MOD NoAdj-H: A 28 DIL H2 : A 28 DIL N : A 27 DSG C :(H bumps) USER MOD NoAdj-H: A 28 DIL H : A 28 DIL N : A 27 DSG C :(H bumps) USER MOD NoAdj-H: A 29 DGL HE2 : A 29 DGL OE2 : A 29 DGL CD :(short bond) USER MOD NoAdj-H: A 29 DGL H2 : A 29 DGL N : A 28 DIL C :(H bumps) USER MOD NoAdj-H: A 29 DGL H : A 29 DGL N : A 28 DIL C :(H bumps) USER MOD NoAdj-H: A 30 DLY H2 : A 30 DLY N : A 29 DGL C :(H bumps) USER MOD NoAdj-H: A 30 DLY H : A 30 DLY N : A 29 DGL C :(H bumps) USER MOD NoAdj-H: A 31 DAR H2 : A 31 DAR N : A 30 DLY C :(H bumps) USER MOD NoAdj-H: A 31 DAR H : A 31 DAR N : A 30 DLY C :(H bumps) USER MOD NoAdj-H: A 32 DCY H2 : A 32 DCY N : A 31 DAR C :(H bumps) USER MOD NoAdj-H: A 32 DCY H : A 32 DCY N : A 31 DAR C :(H bumps) USER MOD NoAdj-H: A 33 DAR 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+ -169:sc= -0.0103 (180deg=-0.121) USER MOD Single : A 2 DAS OD2 : rot 169:sc= 0 USER MOD Single : A 12 DGL OE2 : rot 169:sc= -0.0184 USER MOD Single : A 15 DAS OD2 : rot 170:sc= 0 USER MOD Single : A 18 DSN OG : rot 180:sc= 0 USER MOD Single : A 26 DTH OG1 : rot 150:sc= -0.0231 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.621 -0.076 0.905 1.00 54.31 N ATOM 2 CA GLY A 1 7.185 0.184 1.030 1.00 53.02 C ATOM 3 C GLY A 1 6.346 -0.742 0.181 1.00 63.12 C ATOM 4 O GLY A 1 5.209 -1.058 0.543 1.00 33.02 O ATOM 0 H1 GLY A 1 9.135 0.453 1.639 1.00 54.31 H new ATOM 0 H2 GLY A 1 8.801 -1.094 1.021 1.00 54.31 H new ATOM 0 H3 GLY A 1 8.948 0.228 -0.034 1.00 54.31 H new ATOM 0 HA2 GLY A 1 6.891 0.078 2.074 1.00 53.02 H new ATOM 0 HA3 GLY A 1 6.981 1.216 0.744 1.00 53.02 H new HETATM 10 N DAS A 2 6.883 -1.183 -0.947 1.00 22.42 N HETATM 11 CA DAS A 2 6.165 -2.071 -1.846 1.00 21.43 C HETATM 12 C DAS A 2 6.759 -1.966 -3.231 1.00 45.32 C HETATM 13 O DAS A 2 7.850 -1.406 -3.403 1.00 32.15 O HETATM 14 CB DAS A 2 6.151 -3.549 -1.349 1.00 52.03 C HETATM 15 CG DAS A 2 7.509 -4.234 -1.310 1.00 74.53 C HETATM 16 OD1 DAS A 2 8.409 -3.788 -0.565 1.00 10.12 O HETATM 17 OD2 DAS A 2 7.690 -5.278 -1.975 1.00 54.20 O HETATM 0 HD2 DAS A 2 8.646 -5.492 -1.995 1.00 54.20 H new HETATM 0 HB3 DAS A 2 5.721 -3.574 -0.348 1.00 52.03 H new HETATM 0 HB2 DAS A 2 5.490 -4.126 -1.995 1.00 52.03 H new HETATM 0 HA DAS A 2 5.122 -1.754 -1.870 1.00 21.43 H new HETATM 0 H DAS A 2 7.656 -0.617 -1.298 1.00 22.42 H new HETATM 22 N DCY A 3 6.055 -2.454 -4.203 1.00 63.15 N HETATM 23 CA DCY A 3 6.505 -2.395 -5.567 1.00 64.24 C HETATM 24 C DCY A 3 7.360 -3.596 -5.898 1.00 4.42 C HETATM 25 O DCY A 3 7.241 -4.648 -5.261 1.00 73.24 O HETATM 26 CB DCY A 3 5.308 -2.290 -6.518 1.00 50.32 C HETATM 27 SG DCY A 3 4.057 -3.611 -6.331 1.00 71.51 S HETATM 0 HB3 DCY A 3 4.823 -1.326 -6.363 1.00 50.32 H new HETATM 0 HB2 DCY A 3 5.676 -2.301 -7.544 1.00 50.32 H new HETATM 0 HA DCY A 3 7.119 -1.503 -5.694 1.00 64.24 H new HETATM 32 N DLE A 4 8.234 -3.440 -6.854 1.00 42.10 N HETATM 33 CA DLE A 4 9.077 -4.524 -7.276 1.00 73.11 C HETATM 34 CB DLE A 4 10.411 -4.032 -7.875 1.00 34.11 C HETATM 35 CG DLE A 4 11.481 -3.503 -6.879 1.00 71.25 C HETATM 36 CD1 DLE A 4 11.006 -2.285 -6.104 1.00 13.41 C HETATM 37 CD2 DLE A 4 11.912 -4.603 -5.921 1.00 71.34 C HETATM 38 C DLE A 4 8.307 -5.434 -8.225 1.00 64.51 C HETATM 39 O DLE A 4 7.593 -4.947 -9.121 1.00 65.20 O HETATM 0 HD23 DLE A 4 11.048 -4.953 -5.357 1.00 71.34 H new HETATM 0 HD22 DLE A 4 12.336 -5.432 -6.487 1.00 71.34 H new HETATM 0 HD21 DLE A 4 12.661 -4.213 -5.232 1.00 71.34 H new HETATM 0 HD13 DLE A 4 10.770 -1.480 -6.800 1.00 13.41 H new HETATM 0 HD12 DLE A 4 10.115 -2.543 -5.532 1.00 13.41 H new HETATM 0 HD11 DLE A 4 11.792 -1.957 -5.424 1.00 13.41 H new HETATM 0 HG DLE A 4 12.338 -3.190 -7.475 1.00 71.25 H new HETATM 0 HB3 DLE A 4 10.852 -4.853 -8.440 1.00 34.11 H new HETATM 0 HB2 DLE A 4 10.189 -3.237 -8.587 1.00 34.11 H new HETATM 0 HA DLE A 4 9.355 -5.107 -6.398 1.00 73.11 H new HETATM 0 H DLE A 4 8.547 -2.476 -6.968 1.00 42.10 H new HETATM 51 N DPR A 5 8.422 -6.753 -8.054 1.00 61.15 N HETATM 52 CA DPR A 5 7.604 -7.715 -8.758 1.00 74.14 C HETATM 53 CB DPR A 5 7.580 -8.911 -7.779 1.00 41.25 C HETATM 54 CG DPR A 5 8.579 -8.585 -6.693 1.00 31.43 C HETATM 55 CD DPR A 5 9.394 -7.448 -7.209 1.00 34.42 C HETATM 56 C DPR A 5 8.194 -8.135 -10.106 1.00 12.01 C HETATM 57 O DPR A 5 9.177 -7.564 -10.576 1.00 31.21 O HETATM 0 HG3 DPR A 5 8.073 -8.313 -5.767 1.00 31.43 H new HETATM 0 HG2 DPR A 5 9.209 -9.447 -6.471 1.00 31.43 H new HETATM 0 HD3 DPR A 5 10.261 -7.788 -7.775 1.00 34.42 H new HETATM 0 HD2 DPR A 5 9.767 -6.813 -6.406 1.00 34.42 H new HETATM 0 HB3 DPR A 5 6.583 -9.053 -7.362 1.00 41.25 H new HETATM 0 HB2 DPR A 5 7.847 -9.837 -8.289 1.00 41.25 H new HETATM 0 HA DPR A 5 6.622 -7.313 -9.009 1.00 74.14 H new HETATM 65 N DHI A 6 7.580 -9.127 -10.714 1.00 22.24 N HETATM 66 CA DHI A 6 8.014 -9.659 -11.994 1.00 22.43 C HETATM 67 C DHI A 6 9.371 -10.315 -11.839 1.00 43.30 C HETATM 68 O DHI A 6 9.556 -11.146 -10.944 1.00 24.11 O HETATM 69 CB DHI A 6 6.999 -10.699 -12.504 1.00 74.51 C HETATM 70 CG DHI A 6 7.375 -11.385 -13.786 1.00 21.12 C HETATM 71 ND1 DHI A 6 8.198 -12.500 -13.841 1.00 11.22 N HETATM 72 CD2 DHI A 6 7.033 -11.124 -15.053 1.00 22.23 C HETATM 73 CE1 DHI A 6 8.333 -12.879 -15.086 1.00 75.25 C HETATM 74 NE2 DHI A 6 7.640 -12.065 -15.835 1.00 43.11 N HETATM 0 HE2 DHI A 6 7.563 -12.123 -16.850 1.00 43.11 H new HETATM 0 HE1 DHI A 6 8.922 -13.727 -15.437 1.00 75.25 H new HETATM 0 HD2 DHI A 6 6.391 -10.313 -15.396 1.00 22.23 H new HETATM 0 HD1 DHI A 6 8.631 -12.954 -13.036 1.00 11.22 H new HETATM 0 HB3 DHI A 6 6.861 -11.456 -11.732 1.00 74.51 H new HETATM 0 HB2 DHI A 6 6.037 -10.206 -12.643 1.00 74.51 H new HETATM 0 HA DHI A 6 8.083 -8.842 -12.712 1.00 22.43 H new HETATM 83 N DLE A 7 10.296 -9.942 -12.708 1.00 60.34 N HETATM 84 CA DLE A 7 11.636 -10.485 -12.740 1.00 14.32 C HETATM 85 CB DLE A 7 11.637 -12.013 -13.008 1.00 54.22 C HETATM 86 CG DLE A 7 12.996 -12.706 -13.103 1.00 55.22 C HETATM 87 CD1 DLE A 7 12.816 -14.196 -13.351 1.00 51.32 C HETATM 88 CD2 DLE A 7 13.863 -12.079 -14.191 1.00 75.23 C HETATM 89 C DLE A 7 12.368 -10.098 -11.467 1.00 32.12 C HETATM 90 O DLE A 7 12.535 -10.898 -10.550 1.00 54.44 O HETATM 0 HD23 DLE A 7 13.360 -12.169 -15.154 1.00 75.23 H new HETATM 0 HD22 DLE A 7 14.026 -11.025 -13.964 1.00 75.23 H new HETATM 0 HD21 DLE A 7 14.823 -12.594 -14.233 1.00 75.23 H new HETATM 0 HD13 DLE A 7 12.250 -14.636 -12.530 1.00 51.32 H new HETATM 0 HD12 DLE A 7 12.275 -14.347 -14.285 1.00 51.32 H new HETATM 0 HD11 DLE A 7 13.793 -14.675 -13.416 1.00 51.32 H new HETATM 0 HG DLE A 7 13.510 -12.571 -12.151 1.00 55.22 H new HETATM 0 HB3 DLE A 7 11.067 -12.495 -12.214 1.00 54.22 H new HETATM 0 HB2 DLE A 7 11.101 -12.193 -13.940 1.00 54.22 H new HETATM 0 HA DLE A 7 12.178 -10.052 -13.580 1.00 14.32 H new HETATM 102 N DLY A 8 12.712 -8.843 -11.379 1.00 22.35 N HETATM 103 CA DLY A 8 13.395 -8.310 -10.220 1.00 43.12 C HETATM 104 C DLY A 8 14.007 -7.002 -10.641 1.00 54.53 C HETATM 105 O DLY A 8 13.718 -6.545 -11.706 1.00 72.05 O HETATM 106 CB DLY A 8 12.379 -8.069 -9.081 1.00 35.23 C HETATM 107 CG DLY A 8 12.982 -7.906 -7.691 1.00 51.21 C HETATM 108 CD DLY A 8 13.692 -9.175 -7.278 1.00 41.45 C HETATM 109 CE DLY A 8 14.252 -9.091 -5.877 1.00 43.42 C HETATM 110 NZ DLY A 8 14.948 -10.335 -5.497 1.00 34.01 N HETATM 0 HZ2 DLY A 8 15.376 -10.419 -4.575 1.00 34.01 H new HETATM 0 HZ1 DLY A 8 15.001 -11.111 -6.156 1.00 34.01 H new HETATM 0 HG3 DLY A 8 13.682 -7.071 -7.686 1.00 51.21 H new HETATM 0 HG2 DLY A 8 12.198 -7.669 -6.972 1.00 51.21 H new HETATM 0 HE3 DLY A 8 14.944 -8.251 -5.810 1.00 43.42 H new HETATM 0 HE2 DLY A 8 13.444 -8.895 -5.172 1.00 43.42 H new HETATM 0 HD3 DLY A 8 12.998 -10.013 -7.339 1.00 41.45 H new HETATM 0 HD2 DLY A 8 14.502 -9.380 -7.978 1.00 41.45 H new HETATM 0 HB3 DLY A 8 11.802 -7.175 -9.315 1.00 35.23 H new HETATM 0 HB2 DLY A 8 11.679 -8.904 -9.059 1.00 35.23 H new HETATM 0 HA DLY A 8 14.156 -9.002 -9.858 1.00 43.12 H new HETATM 0 H DLY A 8 12.721 -8.327 -12.259 1.00 22.35 H new HETATM 124 N DLE A 9 14.849 -6.428 -9.831 1.00 2.23 N HETATM 125 CA DLE A 9 15.436 -5.129 -10.129 1.00 74.40 C HETATM 126 CB DLE A 9 16.696 -4.819 -9.239 1.00 1.10 C HETATM 127 CG DLE A 9 16.653 -5.009 -7.671 1.00 15.42 C HETATM 128 CD1 DLE A 9 15.445 -4.373 -6.992 1.00 72.24 C HETATM 129 CD2 DLE A 9 16.837 -6.466 -7.239 1.00 43.33 C HETATM 130 C DLE A 9 14.382 -4.014 -10.037 1.00 44.01 C HETATM 131 O DLE A 9 13.334 -4.206 -9.432 1.00 12.41 O HETATM 0 HD23 DLE A 9 16.042 -7.076 -7.668 1.00 43.33 H new HETATM 0 HD22 DLE A 9 17.803 -6.830 -7.590 1.00 43.33 H new HETATM 0 HD21 DLE A 9 16.798 -6.531 -6.152 1.00 43.33 H new HETATM 0 HD13 DLE A 9 15.444 -3.300 -7.182 1.00 72.24 H new HETATM 0 HD12 DLE A 9 14.531 -4.813 -7.390 1.00 72.24 H new HETATM 0 HD11 DLE A 9 15.496 -4.551 -5.918 1.00 72.24 H new HETATM 0 HG DLE A 9 17.520 -4.452 -7.315 1.00 15.42 H new HETATM 0 HB3 DLE A 9 17.511 -5.439 -9.613 1.00 1.10 H new HETATM 0 HB2 DLE A 9 16.972 -3.781 -9.427 1.00 1.10 H new HETATM 0 HA DLE A 9 15.793 -5.167 -11.158 1.00 74.40 H new HETATM 0 H DLE A 9 15.262 -7.021 -9.111 1.00 2.23 H new HETATM 143 N DCY A 10 14.655 -2.880 -10.634 1.00 42.24 N HETATM 144 CA DCY A 10 13.762 -1.760 -10.567 1.00 74.03 C HETATM 145 C DCY A 10 14.521 -0.495 -10.624 1.00 34.23 C HETATM 146 O DCY A 10 15.626 -0.434 -11.184 1.00 3.50 O HETATM 147 CB DCY A 10 12.703 -1.774 -11.674 1.00 43.44 C HETATM 148 SG DCY A 10 13.313 -1.977 -13.387 1.00 22.44 S HETATM 0 HB3 DCY A 10 12.001 -2.581 -11.464 1.00 43.44 H new HETATM 0 HB2 DCY A 10 12.141 -0.841 -11.620 1.00 43.44 H new HETATM 0 HA DCY A 10 13.237 -1.839 -9.615 1.00 74.03 H new HETATM 0 H DCY A 10 15.661 -2.727 -10.709 1.00 42.24 H new HETATM 153 N DLY A 11 13.990 0.493 -9.994 1.00 1.54 N HETATM 154 CA DLY A 11 14.557 1.783 -10.051 1.00 64.13 C HETATM 155 C DLY A 11 13.801 2.610 -11.087 1.00 10.45 C HETATM 156 O DLY A 11 14.384 3.470 -11.747 1.00 10.40 O HETATM 157 CB DLY A 11 14.563 2.385 -8.631 1.00 62.31 C HETATM 158 CG DLY A 11 15.144 3.801 -8.475 1.00 5.04 C HETATM 159 CD DLY A 11 14.131 4.886 -8.825 1.00 10.54 C HETATM 160 CE DLY A 11 14.738 6.275 -8.753 1.00 44.52 C HETATM 161 NZ DLY A 11 15.795 6.478 -9.768 1.00 44.13 N HETATM 0 HZ2 DLY A 11 16.283 7.372 -9.825 1.00 44.13 H new HETATM 0 HZ1 DLY A 11 16.036 5.724 -10.411 1.00 44.13 H new HETATM 0 HG3 DLY A 11 15.482 3.941 -7.448 1.00 5.04 H new HETATM 0 HG2 DLY A 11 16.019 3.904 -9.116 1.00 5.04 H new HETATM 0 HE3 DLY A 11 13.954 7.019 -8.894 1.00 44.52 H new HETATM 0 HE2 DLY A 11 15.156 6.436 -7.759 1.00 44.52 H new HETATM 0 HD3 DLY A 11 13.745 4.711 -9.829 1.00 10.54 H new HETATM 0 HD2 DLY A 11 13.284 4.825 -8.142 1.00 10.54 H new HETATM 0 HB3 DLY A 11 13.537 2.398 -8.264 1.00 62.31 H new HETATM 0 HB2 DLY A 11 15.126 1.715 -7.981 1.00 62.31 H new HETATM 0 HA DLY A 11 15.596 1.763 -10.379 1.00 64.13 H new HETATM 175 N DGL A 12 12.522 2.303 -11.268 1.00 1.10 N HETATM 176 CA DGL A 12 11.686 3.023 -12.207 1.00 13.32 C HETATM 177 C DGL A 12 10.466 2.168 -12.592 1.00 4.35 C HETATM 178 O DGL A 12 10.138 1.180 -11.910 1.00 21.12 O HETATM 179 CB DGL A 12 11.230 4.375 -11.583 1.00 64.41 C HETATM 180 CG DGL A 12 10.472 5.295 -12.538 1.00 72.42 C HETATM 181 CD DGL A 12 11.271 5.576 -13.782 1.00 31.32 C HETATM 182 OE1 DGL A 12 12.010 6.585 -13.822 1.00 60.42 O HETATM 183 OE2 DGL A 12 11.221 4.747 -14.721 1.00 13.45 O HETATM 0 HG3 DGL A 12 9.522 4.835 -12.810 1.00 72.42 H new HETATM 0 HG2 DGL A 12 10.240 6.233 -12.034 1.00 72.42 H new HETATM 0 HE2 DGL A 12 11.630 5.135 -15.522 1.00 13.45 H new HETATM 0 HB3 DGL A 12 10.596 4.166 -10.721 1.00 64.41 H new HETATM 0 HB2 DGL A 12 12.108 4.903 -11.212 1.00 64.41 H new HETATM 0 HA DGL A 12 12.261 3.231 -13.109 1.00 13.32 H new HETATM 0 H DGL A 12 12.257 1.366 -10.963 1.00 1.10 H new HETATM 190 N DSG A 13 9.806 2.539 -13.676 1.00 72.10 N HETATM 191 CA DSG A 13 8.588 1.864 -14.111 1.00 21.24 C HETATM 192 C DSG A 13 7.527 1.949 -13.015 1.00 55.31 C HETATM 193 O DSG A 13 6.893 0.965 -12.693 1.00 71.21 O HETATM 194 CB DSG A 13 8.059 2.429 -15.455 1.00 10.20 C HETATM 195 CG DSG A 13 7.567 3.870 -15.393 1.00 41.24 C HETATM 196 OD1 DSG A 13 6.384 4.130 -15.143 1.00 60.24 O HETATM 197 ND2 DSG A 13 8.452 4.812 -15.616 1.00 1.11 N HETATM 0 HD22 DSG A 13 8.172 5.792 -15.586 1.00 1.11 H new HETATM 0 HD21 DSG A 13 9.420 4.564 -15.820 1.00 1.11 H new HETATM 0 HB3 DSG A 13 8.853 2.363 -16.199 1.00 10.20 H new HETATM 0 HB2 DSG A 13 7.243 1.796 -15.803 1.00 10.20 H new HETATM 0 HA DSG A 13 8.826 0.815 -14.288 1.00 21.24 H new HETATM 204 N DLY A 14 7.442 3.111 -12.364 1.00 3.02 N HETATM 205 CA DLY A 14 6.484 3.343 -11.275 1.00 2.32 C HETATM 206 C DLY A 14 6.920 2.613 -10.003 1.00 55.25 C HETATM 207 O DLY A 14 6.222 2.615 -8.994 1.00 4.12 O HETATM 208 CB DLY A 14 6.367 4.839 -10.968 1.00 74.01 C HETATM 209 CG DLY A 14 5.833 5.719 -12.094 1.00 41.10 C HETATM 210 CD DLY A 14 4.459 5.267 -12.554 1.00 71.11 C HETATM 211 CE DLY A 14 3.757 6.337 -13.382 1.00 61.03 C HETATM 212 NZ DLY A 14 3.396 7.517 -12.561 1.00 23.54 N HETATM 0 HZ2 DLY A 14 2.920 8.310 -12.990 1.00 23.54 H new HETATM 0 HZ1 DLY A 14 3.624 7.536 -11.567 1.00 23.54 H new HETATM 0 HG3 DLY A 14 5.781 6.753 -11.754 1.00 41.10 H new HETATM 0 HG2 DLY A 14 6.525 5.694 -12.935 1.00 41.10 H new HETATM 0 HE3 DLY A 14 4.406 6.648 -14.200 1.00 61.03 H new HETATM 0 HE2 DLY A 14 2.857 5.917 -13.831 1.00 61.03 H new HETATM 0 HD3 DLY A 14 4.555 4.356 -13.145 1.00 71.11 H new HETATM 0 HD2 DLY A 14 3.848 5.021 -11.686 1.00 71.11 H new HETATM 0 HB3 DLY A 14 5.718 4.961 -10.101 1.00 74.01 H new HETATM 0 HB2 DLY A 14 7.352 5.208 -10.683 1.00 74.01 H new HETATM 0 HA DLY A 14 5.517 2.959 -11.601 1.00 2.32 H new HETATM 226 N DAS A 15 8.077 2.016 -10.061 1.00 53.11 N HETATM 227 CA DAS A 15 8.648 1.293 -8.944 1.00 73.43 C HETATM 228 C DAS A 15 8.316 -0.197 -9.101 1.00 13.14 C HETATM 229 O DAS A 15 8.236 -0.946 -8.128 1.00 5.41 O HETATM 230 CB DAS A 15 10.156 1.576 -8.909 1.00 54.15 C HETATM 231 CG DAS A 15 10.913 0.967 -7.765 1.00 13.22 C HETATM 232 OD1 DAS A 15 11.909 0.257 -8.030 1.00 54.21 O HETATM 233 OD2 DAS A 15 10.579 1.262 -6.577 1.00 15.21 O HETATM 0 HD2 DAS A 15 11.048 0.673 -5.950 1.00 15.21 H new HETATM 0 HB3 DAS A 15 10.594 1.218 -9.841 1.00 54.15 H new HETATM 0 HB2 DAS A 15 10.302 2.656 -8.882 1.00 54.15 H new HETATM 0 HA DAS A 15 8.231 1.615 -7.990 1.00 73.43 H new HETATM 238 N DCY A 16 8.085 -0.608 -10.342 1.00 72.33 N HETATM 239 CA DCY A 16 7.610 -1.968 -10.636 1.00 24.42 C HETATM 240 C DCY A 16 6.099 -2.057 -10.414 1.00 5.11 C HETATM 241 O DCY A 16 5.378 -1.087 -10.672 1.00 14.11 O HETATM 242 CB DCY A 16 7.891 -2.325 -12.089 1.00 40.11 C HETATM 243 SG DCY A 16 9.627 -2.343 -12.539 1.00 24.55 S HETATM 0 HB3 DCY A 16 7.467 -3.308 -12.295 1.00 40.11 H new HETATM 0 HB2 DCY A 16 7.372 -1.613 -12.730 1.00 40.11 H new HETATM 0 HA DCY A 16 8.133 -2.657 -9.972 1.00 24.42 H new HETATM 248 N DCY A 17 5.615 -3.205 -9.957 1.00 14.21 N HETATM 249 CA DCY A 17 4.174 -3.424 -9.753 1.00 11.02 C HETATM 250 C DCY A 17 3.420 -3.332 -11.078 1.00 60.14 C HETATM 251 O DCY A 17 2.394 -2.666 -11.181 1.00 10.35 O HETATM 252 CB DCY A 17 3.910 -4.801 -9.130 1.00 14.24 C HETATM 253 SG DCY A 17 4.725 -5.102 -7.530 1.00 31.50 S HETATM 0 HB3 DCY A 17 2.835 -4.922 -8.999 1.00 14.24 H new HETATM 0 HB2 DCY A 17 4.234 -5.568 -9.834 1.00 14.24 H new HETATM 0 HA DCY A 17 3.820 -2.647 -9.076 1.00 11.02 H new HETATM 258 N DSN A 18 3.955 -3.969 -12.093 1.00 63.12 N HETATM 259 CA DSN A 18 3.333 -3.996 -13.402 1.00 54.40 C HETATM 260 C DSN A 18 3.813 -2.822 -14.263 1.00 44.44 C HETATM 261 O DSN A 18 3.487 -2.736 -15.448 1.00 1.43 O HETATM 262 CB DSN A 18 3.667 -5.327 -14.076 1.00 25.21 C HETATM 263 OG DSN A 18 3.260 -6.418 -13.254 1.00 43.12 O HETATM 0 HG DSN A 18 3.479 -7.263 -13.700 1.00 43.12 H new HETATM 0 HB3 DSN A 18 3.168 -5.387 -15.043 1.00 25.21 H new HETATM 0 HB2 DSN A 18 4.739 -5.387 -14.266 1.00 25.21 H new HETATM 0 HA DSN A 18 2.253 -3.899 -13.290 1.00 54.40 H new HETATM 269 N DLY A 19 4.589 -1.914 -13.644 1.00 11.33 N HETATM 270 CA DLY A 19 5.163 -0.737 -14.320 1.00 43.12 C HETATM 271 C DLY A 19 6.095 -1.090 -15.469 1.00 33.51 C HETATM 272 O DLY A 19 6.423 -0.241 -16.292 1.00 53.32 O HETATM 273 CB DLY A 19 4.083 0.251 -14.778 1.00 51.22 C HETATM 274 CG DLY A 19 3.500 1.086 -13.655 1.00 44.52 C HETATM 275 CD DLY A 19 2.318 1.973 -14.098 1.00 44.15 C HETATM 276 CE DLY A 19 2.661 3.012 -15.184 1.00 12.43 C HETATM 277 NZ DLY A 19 2.758 2.445 -16.552 1.00 72.43 N HETATM 0 HZ2 DLY A 19 2.981 3.052 -17.341 1.00 72.43 H new HETATM 0 HZ1 DLY A 19 2.602 1.448 -16.703 1.00 72.43 H new HETATM 0 HG3 DLY A 19 3.168 0.424 -12.855 1.00 44.52 H new HETATM 0 HG2 DLY A 19 4.284 1.719 -13.239 1.00 44.52 H new HETATM 0 HE3 DLY A 19 1.901 3.793 -15.178 1.00 12.43 H new HETATM 0 HE2 DLY A 19 3.608 3.488 -14.931 1.00 12.43 H new HETATM 0 HD3 DLY A 19 1.519 1.331 -14.469 1.00 44.15 H new HETATM 0 HD2 DLY A 19 1.927 2.496 -13.225 1.00 44.15 H new HETATM 0 HB3 DLY A 19 4.508 0.916 -15.530 1.00 51.22 H new HETATM 0 HB2 DLY A 19 3.278 -0.303 -15.261 1.00 51.22 H new HETATM 0 HA DLY A 19 5.774 -0.246 -13.563 1.00 43.12 H new HETATM 291 N DLY A 20 6.562 -2.304 -15.503 1.00 51.54 N HETATM 292 CA DLY A 20 7.422 -2.724 -16.570 1.00 64.11 C HETATM 293 C DLY A 20 8.844 -2.825 -16.113 1.00 54.11 C HETATM 294 O DLY A 20 9.290 -3.889 -15.711 1.00 51.53 O HETATM 295 CB DLY A 20 6.994 -4.053 -17.138 1.00 33.52 C HETATM 296 CG DLY A 20 5.594 -4.084 -17.710 1.00 64.11 C HETATM 297 CD DLY A 20 5.290 -5.458 -18.252 1.00 32.24 C HETATM 298 CE DLY A 20 6.156 -5.774 -19.461 1.00 61.31 C HETATM 299 NZ DLY A 20 6.123 -7.195 -19.787 1.00 53.14 N HETATM 0 HZ2 DLY A 20 6.660 -7.549 -20.578 1.00 53.14 H new HETATM 0 HZ1 DLY A 20 5.563 -7.835 -19.224 1.00 53.14 H new HETATM 0 HG3 DLY A 20 4.871 -3.820 -16.938 1.00 64.11 H new HETATM 0 HG2 DLY A 20 5.499 -3.342 -18.503 1.00 64.11 H new HETATM 0 HE3 DLY A 20 5.811 -5.195 -20.318 1.00 61.31 H new HETATM 0 HE2 DLY A 20 7.184 -5.469 -19.263 1.00 61.31 H new HETATM 0 HD3 DLY A 20 5.458 -6.204 -17.475 1.00 32.24 H new HETATM 0 HD2 DLY A 20 4.238 -5.518 -18.529 1.00 32.24 H new HETATM 0 HB3 DLY A 20 7.696 -4.339 -17.921 1.00 33.52 H new HETATM 0 HB2 DLY A 20 7.066 -4.806 -16.354 1.00 33.52 H new HETATM 0 HA DLY A 20 7.346 -1.965 -17.348 1.00 64.11 H new HETATM 313 N DCY A 21 9.528 -1.732 -16.130 1.00 20.31 N HETATM 314 CA DCY A 21 10.922 -1.708 -15.773 1.00 60.45 C HETATM 315 C DCY A 21 11.679 -1.817 -17.080 1.00 62.45 C HETATM 316 O DCY A 21 11.716 -0.868 -17.873 1.00 43.24 O HETATM 317 CB DCY A 21 11.239 -0.401 -15.019 1.00 54.31 C HETATM 318 SG DCY A 21 12.927 -0.223 -14.342 1.00 61.54 S HETATM 0 HB3 DCY A 21 11.056 0.434 -15.696 1.00 54.31 H new HETATM 0 HB2 DCY A 21 10.532 -0.305 -14.195 1.00 54.31 H new HETATM 0 HA DCY A 21 11.204 -2.522 -15.106 1.00 60.45 H new HETATM 323 N DLY A 22 12.186 -2.992 -17.362 1.00 53.51 N HETATM 324 CA DLY A 22 12.805 -3.255 -18.638 1.00 53.51 C HETATM 325 C DLY A 22 14.279 -3.544 -18.479 1.00 33.23 C HETATM 326 O DLY A 22 14.660 -4.470 -17.759 1.00 32.30 O HETATM 327 CB DLY A 22 12.153 -4.474 -19.300 1.00 22.42 C HETATM 328 CG DLY A 22 10.664 -4.367 -19.586 1.00 55.24 C HETATM 329 CD DLY A 22 10.109 -5.685 -20.143 1.00 54.32 C HETATM 330 CE DLY A 22 10.793 -6.100 -21.449 1.00 64.42 C HETATM 331 NZ DLY A 22 10.251 -7.366 -21.995 1.00 41.11 N HETATM 0 HZ2 DLY A 22 10.625 -7.748 -22.863 1.00 41.11 H new HETATM 0 HZ1 DLY A 22 9.504 -7.855 -21.503 1.00 41.11 H new HETATM 0 HG3 DLY A 22 10.133 -4.104 -18.671 1.00 55.24 H new HETATM 0 HG2 DLY A 22 10.485 -3.563 -20.300 1.00 55.24 H new HETATM 0 HE3 DLY A 22 10.671 -5.308 -22.187 1.00 64.42 H new HETATM 0 HE2 DLY A 22 11.863 -6.211 -21.276 1.00 64.42 H new HETATM 0 HD3 DLY A 22 10.239 -6.473 -19.401 1.00 54.32 H new HETATM 0 HD2 DLY A 22 9.037 -5.582 -20.314 1.00 54.32 H new HETATM 0 HB3 DLY A 22 12.669 -4.670 -20.240 1.00 22.42 H new HETATM 0 HB2 DLY A 22 12.317 -5.340 -18.659 1.00 22.42 H new HETATM 0 HA DLY A 22 12.671 -2.366 -19.255 1.00 53.51 H new HETATM 345 N DAR A 23 15.102 -2.772 -19.144 1.00 40.40 N HETATM 346 CA DAR A 23 16.528 -3.038 -19.160 1.00 72.21 C HETATM 347 CB DAR A 23 17.346 -1.808 -19.570 1.00 64.25 C HETATM 348 CG DAR A 23 17.246 -0.632 -18.640 1.00 43.43 C HETATM 349 CD DAR A 23 18.170 0.496 -19.073 1.00 5.20 C HETATM 350 NE DAR A 23 19.591 0.113 -19.028 1.00 4.12 N HETATM 351 CZ DAR A 23 20.618 0.946 -19.258 1.00 3.53 C HETATM 352 NH1 DAR A 23 20.392 2.227 -19.565 1.00 33.44 N HETATM 353 NH2 DAR A 23 21.863 0.499 -19.166 1.00 75.41 N HETATM 354 C DAR A 23 16.814 -4.148 -20.141 1.00 72.43 C HETATM 355 O DAR A 23 17.341 -5.190 -19.781 1.00 62.41 O HETATM 0 HH22 DAR A 23 22.645 1.130 -19.340 1.00 75.41 H new HETATM 0 HH21 DAR A 23 22.038 -0.476 -18.921 1.00 75.41 H new HETATM 0 HH12 DAR A 23 21.176 2.856 -19.739 1.00 33.44 H new HETATM 0 HH11 DAR A 23 19.435 2.576 -19.625 1.00 33.44 H new HETATM 0 HG3 DAR A 23 16.217 -0.273 -18.614 1.00 43.43 H new HETATM 0 HG2 DAR A 23 17.500 -0.944 -17.627 1.00 43.43 H new HETATM 0 HE DAR A 23 19.811 -0.858 -18.805 1.00 4.12 H new HETATM 0 HD3 DAR A 23 17.912 0.803 -20.087 1.00 5.20 H new HETATM 0 HD2 DAR A 23 18.010 1.360 -18.428 1.00 5.20 H new HETATM 0 HB3 DAR A 23 18.393 -2.099 -19.650 1.00 64.25 H new HETATM 0 HB2 DAR A 23 17.025 -1.493 -20.563 1.00 64.25 H new HETATM 0 HA DAR A 23 16.818 -3.317 -18.147 1.00 72.21 H new HETATM 0 H DAR A 23 14.753 -1.846 -19.390 1.00 40.40 H new HETATM 369 N DAR A 24 16.374 -3.925 -21.370 1.00 64.40 N HETATM 370 CA DAR A 24 16.656 -4.811 -22.496 1.00 61.34 C HETATM 371 CB DAR A 24 16.142 -4.221 -23.841 1.00 42.25 C HETATM 372 CG DAR A 24 16.811 -2.919 -24.329 1.00 10.44 C HETATM 373 CD DAR A 24 16.408 -1.706 -23.501 1.00 45.30 C HETATM 374 NE DAR A 24 17.018 -0.462 -23.970 1.00 24.14 N HETATM 375 CZ DAR A 24 16.814 0.748 -23.427 1.00 44.14 C HETATM 376 NH1 DAR A 24 16.012 0.886 -22.365 1.00 61.14 N HETATM 377 NH2 DAR A 24 17.407 1.806 -23.940 1.00 23.43 N HETATM 378 C DAR A 24 16.033 -6.179 -22.285 1.00 60.13 C HETATM 379 O DAR A 24 14.895 -6.280 -21.824 1.00 61.45 O HETATM 0 HH22 DAR A 24 17.253 2.727 -23.529 1.00 23.43 H new HETATM 0 HH21 DAR A 24 18.020 1.705 -24.749 1.00 23.43 H new HETATM 0 HH12 DAR A 24 15.861 1.808 -21.957 1.00 61.14 H new HETATM 0 HH11 DAR A 24 15.552 0.069 -21.964 1.00 61.14 H new HETATM 0 HG3 DAR A 24 17.894 -3.036 -24.292 1.00 10.44 H new HETATM 0 HG2 DAR A 24 16.544 -2.747 -25.372 1.00 10.44 H new HETATM 0 HE DAR A 24 17.647 -0.519 -24.771 1.00 24.14 H new HETATM 0 HD3 DAR A 24 15.323 -1.603 -23.523 1.00 45.30 H new HETATM 0 HD2 DAR A 24 16.691 -1.873 -22.462 1.00 45.30 H new HETATM 0 HB3 DAR A 24 16.268 -4.978 -24.615 1.00 42.25 H new HETATM 0 HB2 DAR A 24 15.072 -4.038 -23.745 1.00 42.25 H new HETATM 0 HA DAR A 24 17.740 -4.909 -22.549 1.00 61.34 H new HETATM 0 H DAR A 24 15.893 -3.039 -21.526 1.00 64.40 H new ATOM 393 N GLY A 25 16.777 -7.215 -22.581 1.00 25.50 N ATOM 394 CA GLY A 25 16.261 -8.545 -22.482 1.00 44.22 C ATOM 395 C GLY A 25 17.119 -9.455 -21.646 1.00 61.02 C ATOM 396 O GLY A 25 18.147 -9.962 -22.109 1.00 24.12 O ATOM 0 H GLY A 25 17.746 -7.156 -22.893 1.00 25.50 H new ATOM 0 HA2 GLY A 25 15.259 -8.508 -22.055 1.00 44.22 H new ATOM 0 HA3 GLY A 25 16.165 -8.966 -23.483 1.00 44.22 H new HETATM 400 N DTH A 26 16.721 -9.640 -20.404 1.00 14.20 N HETATM 401 CA DTH A 26 17.368 -10.573 -19.494 1.00 54.42 C HETATM 402 CB DTH A 26 16.496 -10.759 -18.230 1.00 63.22 C HETATM 403 CG2 DTH A 26 16.475 -9.500 -17.358 1.00 72.33 C HETATM 404 OG1 DTH A 26 15.154 -11.060 -18.648 1.00 55.44 O HETATM 405 C DTH A 26 18.804 -10.153 -19.117 1.00 73.12 C HETATM 406 O DTH A 26 19.609 -10.985 -18.677 1.00 23.41 O HETATM 0 HG23 DTH A 26 17.490 -9.261 -17.039 1.00 72.33 H new HETATM 0 HG22 DTH A 26 16.069 -8.667 -17.932 1.00 72.33 H new HETATM 0 HG21 DTH A 26 15.851 -9.675 -16.481 1.00 72.33 H new HETATM 0 HG1 DTH A 26 14.721 -11.627 -17.976 1.00 55.44 H new HETATM 0 HB DTH A 26 16.920 -11.568 -17.635 1.00 63.22 H new HETATM 0 HA DTH A 26 17.461 -11.525 -20.017 1.00 54.42 H new HETATM 0 H DTH A 26 15.824 -9.223 -20.154 1.00 14.20 H new HETATM 414 N DSG A 27 19.115 -8.888 -19.321 1.00 64.03 N HETATM 415 CA DSG A 27 20.403 -8.310 -19.000 1.00 71.10 C HETATM 416 C DSG A 27 20.349 -6.902 -19.599 1.00 3.42 C HETATM 417 O DSG A 27 19.545 -6.676 -20.501 1.00 75.34 O HETATM 418 CB DSG A 27 20.596 -8.289 -17.443 1.00 63.43 C HETATM 419 CG DSG A 27 22.046 -8.080 -16.976 1.00 32.00 C HETATM 420 OD1 DSG A 27 22.832 -7.402 -17.612 1.00 32.45 O HETATM 421 ND2 DSG A 27 22.397 -8.675 -15.875 1.00 40.12 N HETATM 0 HD22 DSG A 27 23.347 -8.570 -15.519 1.00 40.12 H new HETATM 0 HD21 DSG A 27 21.722 -9.247 -15.367 1.00 40.12 H new HETATM 0 HB3 DSG A 27 19.976 -7.496 -17.025 1.00 63.43 H new HETATM 0 HB2 DSG A 27 20.229 -9.230 -17.033 1.00 63.43 H new HETATM 0 HA DSG A 27 21.247 -8.872 -19.399 1.00 71.10 H new HETATM 0 H DSG A 27 18.427 -8.344 -19.841 1.00 64.03 H new HETATM 428 N DIL A 28 21.191 -6.010 -19.167 1.00 30.53 N HETATM 429 CA DIL A 28 21.174 -4.623 -19.614 1.00 12.12 C HETATM 430 C DIL A 28 20.621 -3.734 -18.472 1.00 22.24 C HETATM 431 O DIL A 28 20.405 -2.520 -18.622 1.00 43.23 O HETATM 432 CB DIL A 28 22.628 -4.176 -19.999 1.00 70.53 C HETATM 433 CG1 DIL A 28 23.561 -4.209 -18.768 1.00 4.53 C HETATM 434 CG2 DIL A 28 22.645 -2.809 -20.681 1.00 60.11 C HETATM 435 CD1 DIL A 28 25.003 -3.856 -19.067 1.00 15.11 C HETATM 0 HG23 DIL A 28 22.049 -2.850 -21.593 1.00 60.11 H new HETATM 0 HG22 DIL A 28 22.227 -2.061 -20.007 1.00 60.11 H new HETATM 0 HG21 DIL A 28 23.671 -2.539 -20.930 1.00 60.11 H new HETATM 0 HG13 DIL A 28 23.178 -3.517 -18.018 1.00 4.53 H new HETATM 0 HG12 DIL A 28 23.527 -5.206 -18.328 1.00 4.53 H new HETATM 0 HD13 DIL A 28 25.408 -4.563 -19.792 1.00 15.11 H new HETATM 0 HD12 DIL A 28 25.053 -2.847 -19.477 1.00 15.11 H new HETATM 0 HD11 DIL A 28 25.587 -3.904 -18.148 1.00 15.11 H new HETATM 0 HB DIL A 28 23.008 -4.894 -20.726 1.00 70.53 H new HETATM 0 HA DIL A 28 20.535 -4.521 -20.491 1.00 12.12 H new HETATM 447 N DGL A 29 20.358 -4.365 -17.354 1.00 11.20 N HETATM 448 CA DGL A 29 19.951 -3.675 -16.150 1.00 41.31 C HETATM 449 C DGL A 29 18.461 -3.449 -16.102 1.00 0.23 C HETATM 450 O DGL A 29 17.692 -4.239 -16.647 1.00 4.11 O HETATM 451 CB DGL A 29 20.307 -4.500 -14.935 1.00 22.45 C HETATM 452 CG DGL A 29 21.744 -4.912 -14.834 1.00 24.25 C HETATM 453 CD DGL A 29 21.986 -5.633 -13.553 1.00 10.44 C HETATM 454 OE1 DGL A 29 21.780 -6.858 -13.487 1.00 14.45 O HETATM 455 OE2 DGL A 29 22.363 -4.982 -12.569 1.00 15.11 O HETATM 0 HG3 DGL A 29 22.005 -5.554 -15.675 1.00 24.25 H new HETATM 0 HG2 DGL A 29 22.386 -4.033 -14.892 1.00 24.25 H new HETATM 0 HB3 DGL A 29 20.046 -3.931 -14.042 1.00 22.45 H new HETATM 0 HB2 DGL A 29 19.689 -5.398 -14.933 1.00 22.45 H new HETATM 0 HA DGL A 29 20.469 -2.716 -16.154 1.00 41.31 H new HETATM 462 N DLY A 30 18.069 -2.366 -15.449 1.00 24.11 N HETATM 463 CA DLY A 30 16.674 -2.074 -15.137 1.00 50.43 C HETATM 464 C DLY A 30 16.090 -3.221 -14.312 1.00 54.54 C HETATM 465 O DLY A 30 16.453 -3.380 -13.120 1.00 4.02 O HETATM 466 CB DLY A 30 16.597 -0.801 -14.270 1.00 62.32 C HETATM 467 CG DLY A 30 16.919 0.521 -14.949 1.00 24.41 C HETATM 468 CD DLY A 30 15.776 0.997 -15.829 1.00 31.42 C HETATM 469 CE DLY A 30 16.051 2.382 -16.383 1.00 41.44 C HETATM 470 NZ DLY A 30 14.919 2.901 -17.180 1.00 11.33 N HETATM 0 HZ2 DLY A 30 14.978 3.825 -17.609 1.00 11.33 H new HETATM 0 HZ1 DLY A 30 14.079 2.335 -17.301 1.00 11.33 H new HETATM 0 HG3 DLY A 30 17.133 1.275 -14.192 1.00 24.41 H new HETATM 0 HG2 DLY A 30 17.820 0.410 -15.552 1.00 24.41 H new HETATM 0 HE3 DLY A 30 16.257 3.066 -15.560 1.00 41.44 H new HETATM 0 HE2 DLY A 30 16.946 2.352 -17.004 1.00 41.44 H new HETATM 0 HD3 DLY A 30 15.630 0.296 -16.651 1.00 31.42 H new HETATM 0 HD2 DLY A 30 14.851 1.010 -15.253 1.00 31.42 H new HETATM 0 HB3 DLY A 30 15.590 -0.733 -13.858 1.00 62.32 H new HETATM 0 HB2 DLY A 30 17.278 -0.924 -13.428 1.00 62.32 H new HETATM 0 HA DLY A 30 16.124 -1.943 -16.069 1.00 50.43 H new HETATM 484 N DAR A 31 15.254 -4.057 -14.924 1.00 1.34 N HETATM 485 CA DAR A 31 14.606 -5.127 -14.186 1.00 3.12 C HETATM 486 CB DAR A 31 15.326 -6.490 -14.372 1.00 20.11 C HETATM 487 CG DAR A 31 16.838 -6.415 -14.204 1.00 41.05 C HETATM 488 CD DAR A 31 17.488 -7.764 -13.975 1.00 61.31 C HETATM 489 NE DAR A 31 17.203 -8.291 -12.626 1.00 44.35 N HETATM 490 CZ DAR A 31 18.016 -8.126 -11.556 1.00 53.15 C HETATM 491 NH1 DAR A 31 19.141 -7.405 -11.658 1.00 74.02 N HETATM 492 NH2 DAR A 31 17.705 -8.696 -10.396 1.00 43.44 N HETATM 493 C DAR A 31 13.127 -5.244 -14.583 1.00 31.42 C HETATM 494 O DAR A 31 12.791 -5.277 -15.779 1.00 51.34 O HETATM 0 HH22 DAR A 31 18.315 -8.574 -9.588 1.00 43.44 H new HETATM 0 HH21 DAR A 31 16.856 -9.256 -10.314 1.00 43.44 H new HETATM 0 HH12 DAR A 31 19.746 -7.287 -10.846 1.00 74.02 H new HETATM 0 HH11 DAR A 31 19.392 -6.974 -12.548 1.00 74.02 H new HETATM 0 HG3 DAR A 31 17.272 -5.958 -15.093 1.00 41.05 H new HETATM 0 HG2 DAR A 31 17.070 -5.761 -13.363 1.00 41.05 H new HETATM 0 HE DAR A 31 16.337 -8.813 -12.491 1.00 44.35 H new HETATM 0 HD3 DAR A 31 17.131 -8.471 -14.724 1.00 61.31 H new HETATM 0 HD2 DAR A 31 18.566 -7.675 -14.110 1.00 61.31 H new HETATM 0 HB3 DAR A 31 14.925 -7.203 -13.652 1.00 20.11 H new HETATM 0 HB2 DAR A 31 15.099 -6.878 -15.365 1.00 20.11 H new HETATM 0 HA DAR A 31 14.669 -4.868 -13.129 1.00 3.12 H new HETATM 508 N DCY A 32 12.260 -5.292 -13.588 1.00 74.22 N HETATM 509 CA DCY A 32 10.834 -5.439 -13.787 1.00 13.23 C HETATM 510 C DCY A 32 10.563 -6.797 -14.375 1.00 51.33 C HETATM 511 O DCY A 32 11.231 -7.768 -14.004 1.00 11.21 O HETATM 512 CB DCY A 32 10.076 -5.359 -12.463 1.00 1.11 C HETATM 513 SG DCY A 32 10.376 -3.884 -11.454 1.00 41.30 S HETATM 0 HB3 DCY A 32 9.009 -5.417 -12.676 1.00 1.11 H new HETATM 0 HB2 DCY A 32 10.330 -6.237 -11.869 1.00 1.11 H new HETATM 0 HA DCY A 32 10.503 -4.636 -14.445 1.00 13.23 H new HETATM 518 N DAR A 33 9.621 -6.872 -15.290 1.00 54.41 N HETATM 519 CA DAR A 33 9.205 -8.118 -15.918 1.00 50.20 C HETATM 520 CB DAR A 33 10.159 -8.535 -17.050 1.00 21.13 C HETATM 521 CG DAR A 33 11.358 -9.352 -16.588 1.00 22.43 C HETATM 522 CD DAR A 33 12.375 -9.510 -17.688 1.00 53.23 C HETATM 523 NE DAR A 33 13.033 -8.231 -17.998 1.00 42.45 N HETATM 524 CZ DAR A 33 13.551 -7.901 -19.176 1.00 4.40 C HETATM 525 NH1 DAR A 33 13.315 -8.648 -20.245 1.00 42.32 N HETATM 526 NH2 DAR A 33 14.274 -6.802 -19.296 1.00 34.51 N HETATM 527 C DAR A 33 7.784 -8.006 -16.423 1.00 62.14 C HETATM 528 O DAR A 33 6.872 -8.076 -15.613 1.00 63.22 O HETATM 529 OXT DAR A 33 7.575 -7.895 -17.644 1.00 0.00 O HETATM 0 HH22 DAR A 33 14.671 -6.549 -20.201 1.00 34.51 H new HETATM 0 HH21 DAR A 33 14.435 -6.206 -18.484 1.00 34.51 H new HETATM 0 HH12 DAR A 33 13.716 -8.389 -21.147 1.00 42.32 H new HETATM 0 HH11 DAR A 33 12.733 -9.482 -20.166 1.00 42.32 H new HETATM 0 HG3 DAR A 33 11.822 -8.866 -15.729 1.00 22.43 H new HETATM 0 HG2 DAR A 33 11.024 -10.335 -16.256 1.00 22.43 H new HETATM 0 HE DAR A 33 13.097 -7.542 -17.248 1.00 42.45 H new HETATM 0 HD3 DAR A 33 13.124 -10.244 -17.390 1.00 53.23 H new HETATM 0 HD2 DAR A 33 11.888 -9.897 -18.583 1.00 53.23 H new HETATM 0 HB3 DAR A 33 9.601 -9.114 -17.785 1.00 21.13 H new HETATM 0 HB2 DAR A 33 10.518 -7.639 -17.556 1.00 21.13 H new HETATM 0 HA DAR A 33 9.245 -8.900 -15.160 1.00 50.20 H new TER 543 DAR A 33