USER MOD reduce.3.24.130724 H: found=0, std=0, add=250, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 278 hydrogens (270 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 2 DAS H2 : A 2 DAS N : A 1 GLY C :(H bumps) USER MOD NoAdj-H: A 2 DAS H : A 2 DAS N : A 1 GLY C :(H bumps) USER MOD NoAdj-H: A 3 DCY H2 : A 3 DCY N : A 2 DAS C :(H bumps) USER MOD NoAdj-H: A 3 DCY H : A 3 DCY N : A 2 DAS C :(H bumps) USER MOD NoAdj-H: A 4 DLE H2 : A 4 DLE N : A 3 DCY C :(H bumps) USER MOD NoAdj-H: A 5 DPR H : A 5 DPR N : A 4 DLE C :(H bumps) USER MOD NoAdj-H: A 6 DHI H2 : A 6 DHI N : A 5 DPR C :(H bumps) USER MOD NoAdj-H: A 6 DHI H : A 6 DHI N : A 5 DPR C :(H bumps) USER MOD NoAdj-H: A 7 DLE H2 : A 7 DLE N : A 6 DHI C :(H bumps) USER MOD NoAdj-H: A 7 DLE H : A 7 DLE N : A 6 DHI C :(H bumps) USER MOD NoAdj-H: A 8 DLY H2 : A 8 DLY N : A 7 DLE C :(H bumps) USER MOD NoAdj-H: A 8 DLY H : A 8 DLY N : A 7 DLE C :(H bumps) USER MOD NoAdj-H: A 9 DLE H2 : A 9 DLE N : A 8 DLY C :(H bumps) USER MOD NoAdj-H: A 10 DCY H2 : A 10 DCY N : A 9 DLE C :(H bumps) USER MOD NoAdj-H: A 10 DCY H : A 10 DCY N : A 9 DLE C :(H bumps) USER MOD NoAdj-H: A 11 DLY H2 : A 11 DLY N : A 10 DCY C :(H bumps) USER MOD NoAdj-H: A 11 DLY H : A 11 DLY N : A 10 DCY C :(H bumps) USER MOD NoAdj-H: A 12 DGL 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 HD2 : A 15 DAS OD2 : A 15 DAS CG :(short bond) USER MOD NoAdj-H: A 15 DAS H2 : A 15 DAS N : A 14 DLY C :(H bumps) USER MOD NoAdj-H: A 15 DAS H : A 15 DAS N : A 14 DLY C :(H bumps) USER MOD NoAdj-H: A 16 DCY H2 : A 16 DCY N : A 15 DAS C :(H bumps) USER MOD NoAdj-H: A 16 DCY H : A 16 DCY N : A 15 DAS C :(H bumps) USER MOD NoAdj-H: A 17 DCY H2 : A 17 DCY N : A 16 DCY C :(H bumps) USER MOD NoAdj-H: A 17 DCY H : A 17 DCY N : A 16 DCY C :(H bumps) USER MOD NoAdj-H: A 18 DSN H2 : A 18 DSN N : A 17 DCY C :(H bumps) USER MOD NoAdj-H: A 18 DSN H : A 18 DSN N : A 17 DCY C :(H bumps) USER MOD NoAdj-H: A 19 DLY H2 : A 19 DLY N : A 18 DSN C :(H bumps) USER MOD NoAdj-H: A 19 DLY H : A 19 DLY N : A 18 DSN C :(H bumps) USER MOD NoAdj-H: A 20 DLY H2 : A 20 DLY N : A 19 DLY C :(H bumps) USER MOD NoAdj-H: A 20 DLY H : A 20 DLY N : A 19 DLY C :(H bumps) USER MOD NoAdj-H: A 21 DCY H2 : A 21 DCY N : A 20 DLY C :(H bumps) USER MOD NoAdj-H: A 21 DCY H : A 21 DCY N : A 20 DLY C :(H bumps) USER MOD NoAdj-H: A 22 DLY H2 : A 22 DLY N : A 21 DCY C :(H bumps) USER MOD NoAdj-H: A 23 DAR H2 : A 23 DAR N : A 22 DLY C :(H bumps) USER MOD NoAdj-H: A 24 DAR H2 : A 24 DAR N : A 23 DAR C :(H bumps) USER MOD NoAdj-H: A 26 DTH HN2 : A 26 DTH N : A 25 GLY C :(H bumps) USER MOD NoAdj-H: A 26 DTH H : 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 DAS OD2 : rot 167:sc= 0 USER MOD Single : A 12 DGL OE2 : rot 166:sc= 0 USER MOD Single : A 18 DSN OG : rot 155:sc= -0.39 USER MOD Single : A 26 DTH OG1 : rot 100:sc= 0.254 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.217 -5.204 -0.544 1.00 1.21 N ATOM 2 CA GLY A 1 1.788 -4.027 -1.188 1.00 72.13 C ATOM 3 C GLY A 1 3.247 -4.237 -1.462 1.00 21.24 C ATOM 4 O GLY A 1 3.611 -5.118 -2.247 1.00 74.45 O ATOM 0 H1 GLY A 1 0.206 -5.043 -0.361 1.00 1.21 H new ATOM 0 H2 GLY A 1 1.329 -6.029 -1.167 1.00 1.21 H new ATOM 0 H3 GLY A 1 1.708 -5.380 0.356 1.00 1.21 H new ATOM 0 HA2 GLY A 1 1.262 -3.824 -2.121 1.00 72.13 H new ATOM 0 HA3 GLY A 1 1.653 -3.154 -0.549 1.00 72.13 H new HETATM 10 N DAS A 2 4.099 -3.467 -0.812 1.00 64.21 N HETATM 11 CA DAS A 2 5.530 -3.617 -1.014 1.00 63.22 C HETATM 12 C DAS A 2 5.982 -2.940 -2.258 1.00 44.03 C HETATM 13 O DAS A 2 6.347 -1.764 -2.254 1.00 71.45 O HETATM 14 CB DAS A 2 6.376 -3.186 0.183 1.00 54.43 C HETATM 15 CG DAS A 2 6.286 -4.152 1.320 1.00 23.32 C HETATM 16 OD1 DAS A 2 5.607 -3.848 2.329 1.00 54.34 O HETATM 17 OD2 DAS A 2 6.867 -5.256 1.221 1.00 21.15 O HETATM 0 HD2 DAS A 2 6.903 -5.687 2.101 1.00 21.15 H new HETATM 0 HB3 DAS A 2 7.417 -3.089 -0.127 1.00 54.43 H new HETATM 0 HB2 DAS A 2 6.051 -2.202 0.519 1.00 54.43 H new HETATM 0 HA DAS A 2 5.692 -4.689 -1.123 1.00 63.22 H new HETATM 22 N DCY A 3 5.881 -3.658 -3.316 1.00 42.25 N HETATM 23 CA DCY A 3 6.308 -3.227 -4.601 1.00 33.42 C HETATM 24 C DCY A 3 7.405 -4.159 -5.067 1.00 3.23 C HETATM 25 O DCY A 3 7.615 -5.227 -4.456 1.00 21.50 O HETATM 26 CB DCY A 3 5.110 -3.231 -5.565 1.00 51.14 C HETATM 27 SG DCY A 3 4.113 -4.772 -5.535 1.00 71.02 S HETATM 0 HB3 DCY A 3 4.462 -2.389 -5.322 1.00 51.14 H new HETATM 0 HB2 DCY A 3 5.475 -3.070 -6.579 1.00 51.14 H new HETATM 0 HA DCY A 3 6.699 -2.210 -4.567 1.00 33.42 H new HETATM 32 N DLE A 4 8.141 -3.763 -6.070 1.00 31.14 N HETATM 33 CA DLE A 4 9.179 -4.610 -6.619 1.00 52.32 C HETATM 34 CB DLE A 4 10.245 -3.786 -7.362 1.00 23.40 C HETATM 35 CG DLE A 4 11.318 -3.082 -6.493 1.00 41.40 C HETATM 36 CD1 DLE A 4 12.182 -2.193 -7.345 1.00 53.01 C HETATM 37 CD2 DLE A 4 10.723 -2.285 -5.345 1.00 20.12 C HETATM 38 C DLE A 4 8.540 -5.667 -7.514 1.00 61.31 C HETATM 39 O DLE A 4 7.802 -5.324 -8.438 1.00 21.52 O HETATM 0 HD23 DLE A 4 10.061 -1.515 -5.741 1.00 20.12 H new HETATM 0 HD22 DLE A 4 10.156 -2.951 -4.695 1.00 20.12 H new HETATM 0 HD21 DLE A 4 11.524 -1.816 -4.774 1.00 20.12 H new HETATM 0 HD13 DLE A 4 12.680 -2.792 -8.107 1.00 53.01 H new HETATM 0 HD12 DLE A 4 11.562 -1.436 -7.826 1.00 53.01 H new HETATM 0 HD11 DLE A 4 12.930 -1.706 -6.720 1.00 53.01 H new HETATM 0 HG DLE A 4 11.926 -3.871 -6.050 1.00 41.40 H new HETATM 0 HB3 DLE A 4 10.756 -4.446 -8.063 1.00 23.40 H new HETATM 0 HB2 DLE A 4 9.735 -3.026 -7.953 1.00 23.40 H new HETATM 0 HA DLE A 4 9.701 -5.114 -5.805 1.00 52.32 H new HETATM 0 H DLE A 4 8.184 -2.753 -6.203 1.00 31.14 H new HETATM 51 N DPR A 5 8.791 -6.958 -7.251 1.00 74.30 N HETATM 52 CA DPR A 5 8.113 -8.060 -7.946 1.00 32.33 C HETATM 53 CB DPR A 5 8.489 -9.302 -7.106 1.00 4.14 C HETATM 54 CG DPR A 5 9.193 -8.776 -5.899 1.00 21.34 C HETATM 55 CD DPR A 5 9.787 -7.472 -6.304 1.00 72.34 C HETATM 56 C DPR A 5 8.578 -8.241 -9.396 1.00 41.12 C HETATM 57 O DPR A 5 9.421 -7.482 -9.901 1.00 52.35 O HETATM 0 HG3 DPR A 5 8.499 -8.647 -5.068 1.00 21.34 H new HETATM 0 HG2 DPR A 5 9.965 -9.469 -5.565 1.00 21.34 H new HETATM 0 HD3 DPR A 5 10.765 -7.597 -6.769 1.00 72.34 H new HETATM 0 HD2 DPR A 5 9.922 -6.804 -5.453 1.00 72.34 H new HETATM 0 HB3 DPR A 5 7.601 -9.868 -6.825 1.00 4.14 H new HETATM 0 HB2 DPR A 5 9.132 -9.977 -7.671 1.00 4.14 H new HETATM 0 HA DPR A 5 7.041 -7.878 -8.022 1.00 32.33 H new HETATM 65 N DHI A 6 8.015 -9.229 -10.072 1.00 74.44 N HETATM 66 CA DHI A 6 8.415 -9.517 -11.440 1.00 65.22 C HETATM 67 C DHI A 6 9.737 -10.242 -11.422 1.00 1.24 C HETATM 68 O DHI A 6 10.008 -10.982 -10.479 1.00 51.43 O HETATM 69 CB DHI A 6 7.367 -10.376 -12.210 1.00 64.43 C HETATM 70 CG DHI A 6 7.319 -11.856 -11.875 1.00 15.43 C HETATM 71 ND1 DHI A 6 8.092 -12.802 -12.535 1.00 2.24 N HETATM 72 CD2 DHI A 6 6.574 -12.546 -10.988 1.00 72.42 C HETATM 73 CE1 DHI A 6 7.813 -13.994 -12.066 1.00 12.41 C HETATM 74 NE2 DHI A 6 6.900 -13.868 -11.131 1.00 35.34 N HETATM 0 HE2 DHI A 6 6.496 -14.636 -10.594 1.00 35.34 H new HETATM 0 HE1 DHI A 6 8.263 -14.930 -12.396 1.00 12.41 H new HETATM 0 HD2 DHI A 6 5.849 -12.130 -10.289 1.00 72.42 H new HETATM 0 HD1 DHI A 6 8.771 -12.601 -13.270 1.00 2.24 H new HETATM 0 HB3 DHI A 6 6.379 -9.953 -12.026 1.00 64.43 H new HETATM 0 HB2 DHI A 6 7.563 -10.275 -13.278 1.00 64.43 H new HETATM 0 HA DHI A 6 8.496 -8.565 -11.964 1.00 65.22 H new HETATM 83 N DLE A 7 10.549 -10.007 -12.445 1.00 74.02 N HETATM 84 CA DLE A 7 11.831 -10.679 -12.647 1.00 54.14 C HETATM 85 CB DLE A 7 11.631 -12.223 -12.589 1.00 23.43 C HETATM 86 CG DLE A 7 12.803 -13.120 -12.967 1.00 20.40 C HETATM 87 CD1 DLE A 7 12.420 -14.575 -12.773 1.00 63.53 C HETATM 88 CD2 DLE A 7 13.238 -12.877 -14.405 1.00 24.53 C HETATM 89 C DLE A 7 12.856 -10.167 -11.607 1.00 50.35 C HETATM 90 O DLE A 7 13.892 -10.783 -11.356 1.00 33.23 O HETATM 0 HD23 DLE A 7 12.407 -13.089 -15.077 1.00 24.53 H new HETATM 0 HD22 DLE A 7 13.544 -11.837 -14.522 1.00 24.53 H new HETATM 0 HD21 DLE A 7 14.076 -13.531 -14.647 1.00 24.53 H new HETATM 0 HD13 DLE A 7 12.158 -14.746 -11.729 1.00 63.53 H new HETATM 0 HD12 DLE A 7 11.565 -14.814 -13.406 1.00 63.53 H new HETATM 0 HD11 DLE A 7 13.262 -15.212 -13.045 1.00 63.53 H new HETATM 0 HG DLE A 7 13.644 -12.879 -12.317 1.00 20.40 H new HETATM 0 HB3 DLE A 7 11.330 -12.481 -11.574 1.00 23.43 H new HETATM 0 HB2 DLE A 7 10.796 -12.474 -13.243 1.00 23.43 H new HETATM 0 HA DLE A 7 12.231 -10.446 -13.634 1.00 54.14 H new HETATM 102 N DLY A 8 12.587 -8.992 -11.070 1.00 23.10 N HETATM 103 CA DLY A 8 13.451 -8.395 -10.047 1.00 13.22 C HETATM 104 C DLY A 8 14.070 -7.127 -10.548 1.00 52.14 C HETATM 105 O DLY A 8 13.785 -6.699 -11.643 1.00 15.35 O HETATM 106 CB DLY A 8 12.706 -8.116 -8.726 1.00 5.13 C HETATM 107 CG DLY A 8 12.720 -9.250 -7.699 1.00 13.30 C HETATM 108 CD DLY A 8 12.044 -10.503 -8.196 1.00 42.33 C HETATM 109 CE DLY A 8 11.965 -11.558 -7.112 1.00 1.40 C HETATM 110 NZ DLY A 8 13.295 -11.978 -6.626 1.00 44.33 N HETATM 0 HZ2 DLY A 8 13.371 -12.685 -5.895 1.00 44.33 H new HETATM 0 HZ1 DLY A 8 14.138 -11.561 -7.022 1.00 44.33 H new HETATM 0 HG3 DLY A 8 13.752 -9.481 -7.435 1.00 13.30 H new HETATM 0 HG2 DLY A 8 12.225 -8.914 -6.788 1.00 13.30 H new HETATM 0 HE3 DLY A 8 11.383 -11.171 -6.276 1.00 1.40 H new HETATM 0 HE2 DLY A 8 11.432 -12.428 -7.496 1.00 1.40 H new HETATM 0 HD3 DLY A 8 11.040 -10.262 -8.545 1.00 42.33 H new HETATM 0 HD2 DLY A 8 12.592 -10.899 -9.051 1.00 42.33 H new HETATM 0 HB3 DLY A 8 13.142 -7.229 -8.266 1.00 5.13 H new HETATM 0 HB2 DLY A 8 11.669 -7.876 -8.960 1.00 5.13 H new HETATM 0 HA DLY A 8 14.230 -9.129 -9.839 1.00 13.22 H new HETATM 124 N DLE A 9 14.930 -6.548 -9.747 1.00 3.24 N HETATM 125 CA DLE A 9 15.576 -5.280 -10.056 1.00 13.04 C HETATM 126 CB DLE A 9 16.750 -4.972 -9.046 1.00 4.32 C HETATM 127 CG DLE A 9 16.480 -4.818 -7.486 1.00 54.12 C HETATM 128 CD1 DLE A 9 15.615 -3.616 -7.131 1.00 15.01 C HETATM 129 CD2 DLE A 9 15.918 -6.089 -6.840 1.00 31.34 C HETATM 130 C DLE A 9 14.543 -4.153 -10.103 1.00 71.40 C HETATM 131 O DLE A 9 13.515 -4.245 -9.461 1.00 24.42 O HETATM 0 HD23 DLE A 9 14.971 -6.349 -7.313 1.00 31.34 H new HETATM 0 HD22 DLE A 9 16.626 -6.907 -6.971 1.00 31.34 H new HETATM 0 HD21 DLE A 9 15.757 -5.916 -5.776 1.00 31.34 H new HETATM 0 HD13 DLE A 9 16.106 -2.703 -7.467 1.00 15.01 H new HETATM 0 HD12 DLE A 9 14.645 -3.708 -7.621 1.00 15.01 H new HETATM 0 HD11 DLE A 9 15.474 -3.576 -6.051 1.00 15.01 H new HETATM 0 HG DLE A 9 17.469 -4.641 -7.064 1.00 54.12 H new HETATM 0 HB3 DLE A 9 17.487 -5.766 -9.164 1.00 4.32 H new HETATM 0 HB2 DLE A 9 17.222 -4.048 -9.379 1.00 4.32 H new HETATM 0 HA DLE A 9 16.028 -5.354 -11.045 1.00 13.04 H new HETATM 0 H DLE A 9 15.256 -7.108 -8.959 1.00 3.24 H new HETATM 143 N DCY A 10 14.820 -3.120 -10.850 1.00 51.42 N HETATM 144 CA DCY A 10 13.914 -2.007 -10.974 1.00 15.00 C HETATM 145 C DCY A 10 14.550 -0.773 -10.435 1.00 12.44 C HETATM 146 O DCY A 10 15.597 -0.350 -10.908 1.00 52.53 O HETATM 147 CB DCY A 10 13.488 -1.776 -12.431 1.00 22.13 C HETATM 148 SG DCY A 10 12.456 -0.280 -12.687 1.00 12.44 S HETATM 0 HB3 DCY A 10 14.381 -1.697 -13.051 1.00 22.13 H new HETATM 0 HB2 DCY A 10 12.935 -2.649 -12.778 1.00 22.13 H new HETATM 0 HA DCY A 10 13.019 -2.244 -10.398 1.00 15.00 H new HETATM 153 N DLY A 11 13.955 -0.232 -9.428 1.00 23.02 N HETATM 154 CA DLY A 11 14.403 0.997 -8.846 1.00 41.34 C HETATM 155 C DLY A 11 13.577 2.131 -9.438 1.00 51.33 C HETATM 156 O DLY A 11 14.083 3.227 -9.702 1.00 60.14 O HETATM 157 CB DLY A 11 14.220 0.915 -7.334 1.00 4.13 C HETATM 158 CG DLY A 11 14.650 2.148 -6.532 1.00 33.34 C HETATM 159 CD DLY A 11 16.155 2.372 -6.573 1.00 1.53 C HETATM 160 CE DLY A 11 16.547 3.577 -5.723 1.00 63.51 C HETATM 161 NZ DLY A 11 18.007 3.799 -5.712 1.00 50.40 N HETATM 0 HZ2 DLY A 11 18.401 4.575 -5.180 1.00 50.40 H new HETATM 0 HZ1 DLY A 11 18.621 3.177 -6.237 1.00 50.40 H new HETATM 0 HG3 DLY A 11 14.144 3.029 -6.926 1.00 33.34 H new HETATM 0 HG2 DLY A 11 14.331 2.034 -5.496 1.00 33.34 H new HETATM 0 HE3 DLY A 11 16.048 4.467 -6.106 1.00 63.51 H new HETATM 0 HE2 DLY A 11 16.196 3.429 -4.702 1.00 63.51 H new HETATM 0 HD3 DLY A 11 16.670 1.482 -6.210 1.00 1.53 H new HETATM 0 HD2 DLY A 11 16.476 2.528 -7.603 1.00 1.53 H new HETATM 0 HB3 DLY A 11 13.168 0.721 -7.126 1.00 4.13 H new HETATM 0 HB2 DLY A 11 14.781 0.055 -6.967 1.00 4.13 H new HETATM 0 HA DLY A 11 15.457 1.178 -9.058 1.00 41.34 H new HETATM 175 N DGL A 12 12.317 1.844 -9.680 1.00 44.25 N HETATM 176 CA DGL A 12 11.395 2.795 -10.230 1.00 13.32 C HETATM 177 C DGL A 12 10.219 2.041 -10.818 1.00 70.34 C HETATM 178 O DGL A 12 9.650 1.150 -10.153 1.00 62.33 O HETATM 179 CB DGL A 12 10.924 3.772 -9.136 1.00 65.51 C HETATM 180 CG DGL A 12 9.995 4.872 -9.623 1.00 23.21 C HETATM 181 CD DGL A 12 9.612 5.826 -8.527 1.00 54.53 C HETATM 182 OE1 DGL A 12 10.359 6.799 -8.277 1.00 52.14 O HETATM 183 OE2 DGL A 12 8.549 5.637 -7.894 1.00 23.13 O HETATM 0 HG3 DGL A 12 10.481 5.424 -10.428 1.00 23.21 H new HETATM 0 HG2 DGL A 12 9.094 4.424 -10.042 1.00 23.21 H new HETATM 0 HE2 DGL A 12 8.550 6.185 -7.082 1.00 23.13 H new HETATM 0 HB3 DGL A 12 10.416 3.205 -8.356 1.00 65.51 H new HETATM 0 HB2 DGL A 12 11.799 4.231 -8.677 1.00 65.51 H new HETATM 0 HA DGL A 12 11.881 3.378 -11.012 1.00 13.32 H new HETATM 0 H DGL A 12 12.112 0.846 -9.732 1.00 44.25 H new HETATM 190 N DSG A 13 9.866 2.392 -12.053 1.00 21.32 N HETATM 191 CA DSG A 13 8.755 1.769 -12.780 1.00 24.45 C HETATM 192 C DSG A 13 7.502 1.767 -11.942 1.00 62.12 C HETATM 193 O DSG A 13 6.912 0.724 -11.706 1.00 65.33 O HETATM 194 CB DSG A 13 8.479 2.501 -14.104 1.00 3.42 C HETATM 195 CG DSG A 13 9.436 2.167 -15.238 1.00 22.23 C HETATM 196 OD1 DSG A 13 10.519 2.744 -15.359 1.00 52.33 O HETATM 197 ND2 DSG A 13 9.011 1.296 -16.121 1.00 72.24 N HETATM 0 HD22 DSG A 13 9.608 1.032 -16.905 1.00 72.24 H new HETATM 0 HD21 DSG A 13 8.083 0.883 -16.024 1.00 72.24 H new HETATM 0 HB3 DSG A 13 7.464 2.268 -14.425 1.00 3.42 H new HETATM 0 HB2 DSG A 13 8.517 3.575 -13.922 1.00 3.42 H new HETATM 0 HA DSG A 13 9.044 0.741 -12.998 1.00 24.45 H new HETATM 204 N DLY A 14 7.150 2.933 -11.422 1.00 52.45 N HETATM 205 CA DLY A 14 5.951 3.101 -10.606 1.00 44.54 C HETATM 206 C DLY A 14 5.999 2.333 -9.287 1.00 12.31 C HETATM 207 O DLY A 14 4.981 2.212 -8.611 1.00 0.24 O HETATM 208 CB DLY A 14 5.696 4.575 -10.309 1.00 72.24 C HETATM 209 CG DLY A 14 5.226 5.391 -11.491 1.00 0.45 C HETATM 210 CD DLY A 14 5.061 6.888 -11.167 1.00 70.00 C HETATM 211 CE DLY A 14 4.049 7.172 -10.038 1.00 43.52 C HETATM 212 NZ DLY A 14 4.613 7.006 -8.675 1.00 74.01 N HETATM 0 HZ2 DLY A 14 4.026 7.170 -7.857 1.00 74.01 H new HETATM 0 HZ1 DLY A 14 5.587 6.728 -8.557 1.00 74.01 H new HETATM 0 HG3 DLY A 14 5.939 5.279 -12.308 1.00 0.45 H new HETATM 0 HG2 DLY A 14 4.273 4.995 -11.842 1.00 0.45 H new HETATM 0 HE3 DLY A 14 3.675 8.190 -10.145 1.00 43.52 H new HETATM 0 HE2 DLY A 14 3.195 6.505 -10.152 1.00 43.52 H new HETATM 0 HD3 DLY A 14 6.031 7.298 -10.885 1.00 70.00 H new HETATM 0 HD2 DLY A 14 4.743 7.412 -12.068 1.00 70.00 H new HETATM 0 HB3 DLY A 14 4.951 4.647 -9.517 1.00 72.24 H new HETATM 0 HB2 DLY A 14 6.615 5.017 -9.923 1.00 72.24 H new HETATM 0 HA DLY A 14 5.136 2.687 -11.200 1.00 44.54 H new HETATM 226 N DAS A 15 7.147 1.818 -8.922 1.00 2.43 N HETATM 227 CA DAS A 15 7.265 1.130 -7.654 1.00 12.11 C HETATM 228 C DAS A 15 7.284 -0.383 -7.846 1.00 45.55 C HETATM 229 O DAS A 15 7.110 -1.153 -6.900 1.00 22.31 O HETATM 230 CB DAS A 15 8.475 1.630 -6.867 1.00 41.41 C HETATM 231 CG DAS A 15 8.477 1.164 -5.428 1.00 25.54 C HETATM 232 OD1 DAS A 15 7.423 1.262 -4.747 1.00 34.32 O HETATM 233 OD2 DAS A 15 9.540 0.773 -4.916 1.00 52.34 O HETATM 0 HB3 DAS A 15 9.387 1.286 -7.356 1.00 41.41 H new HETATM 0 HB2 DAS A 15 8.492 2.720 -6.890 1.00 41.41 H new HETATM 0 HA DAS A 15 6.381 1.361 -7.059 1.00 12.11 H new HETATM 238 N DCY A 16 7.503 -0.823 -9.062 1.00 74.23 N HETATM 239 CA DCY A 16 7.394 -2.245 -9.356 1.00 42.03 C HETATM 240 C DCY A 16 5.909 -2.618 -9.427 1.00 53.03 C HETATM 241 O DCY A 16 5.086 -1.799 -9.842 1.00 32.24 O HETATM 242 CB DCY A 16 8.082 -2.586 -10.664 1.00 51.34 C HETATM 243 SG DCY A 16 9.765 -1.928 -10.802 1.00 33.50 S HETATM 0 HB3 DCY A 16 8.116 -3.670 -10.773 1.00 51.34 H new HETATM 0 HB2 DCY A 16 7.483 -2.201 -11.489 1.00 51.34 H new HETATM 0 HA DCY A 16 7.886 -2.813 -8.566 1.00 42.03 H new HETATM 248 N DCY A 17 5.569 -3.837 -9.035 1.00 23.32 N HETATM 249 CA DCY A 17 4.175 -4.300 -8.969 1.00 51.11 C HETATM 250 C DCY A 17 3.501 -4.243 -10.338 1.00 44.04 C HETATM 251 O DCY A 17 2.329 -3.901 -10.459 1.00 24.12 O HETATM 252 CB DCY A 17 4.127 -5.739 -8.438 1.00 35.14 C HETATM 253 SG DCY A 17 5.022 -6.003 -6.863 1.00 12.23 S HETATM 0 HB3 DCY A 17 3.085 -6.027 -8.301 1.00 35.14 H new HETATM 0 HB2 DCY A 17 4.544 -6.405 -9.193 1.00 35.14 H new HETATM 0 HA DCY A 17 3.636 -3.636 -8.294 1.00 51.11 H new HETATM 258 N DSN A 18 4.256 -4.558 -11.353 1.00 11.15 N HETATM 259 CA DSN A 18 3.759 -4.589 -12.698 1.00 62.23 C HETATM 260 C DSN A 18 4.104 -3.294 -13.446 1.00 52.13 C HETATM 261 O DSN A 18 3.609 -3.058 -14.543 1.00 5.31 O HETATM 262 CB DSN A 18 4.358 -5.813 -13.375 1.00 63.14 C HETATM 263 OG DSN A 18 4.034 -5.939 -14.741 1.00 32.54 O HETATM 0 HG DSN A 18 4.725 -6.466 -15.194 1.00 32.54 H new HETATM 0 HB3 DSN A 18 5.443 -5.775 -13.273 1.00 63.14 H new HETATM 0 HB2 DSN A 18 4.019 -6.706 -12.850 1.00 63.14 H new HETATM 0 HA DSN A 18 2.671 -4.658 -12.704 1.00 62.23 H new HETATM 269 N DLY A 19 4.970 -2.465 -12.840 1.00 41.21 N HETATM 270 CA DLY A 19 5.412 -1.155 -13.389 1.00 4.53 C HETATM 271 C DLY A 19 6.222 -1.278 -14.722 1.00 45.13 C HETATM 272 O DLY A 19 6.748 -0.290 -15.256 1.00 53.54 O HETATM 273 CB DLY A 19 4.193 -0.199 -13.522 1.00 33.34 C HETATM 274 CG DLY A 19 4.502 1.237 -13.930 1.00 21.40 C HETATM 275 CD DLY A 19 3.235 2.071 -13.967 1.00 15.41 C HETATM 276 CE DLY A 19 3.515 3.523 -14.343 1.00 21.51 C HETATM 277 NZ DLY A 19 4.079 3.663 -15.698 1.00 12.43 N HETATM 0 HZ2 DLY A 19 4.308 4.588 -16.062 1.00 12.43 H new HETATM 0 HZ1 DLY A 19 4.240 2.835 -16.271 1.00 12.43 H new HETATM 0 HG3 DLY A 19 5.211 1.675 -13.227 1.00 21.40 H new HETATM 0 HG2 DLY A 19 4.978 1.247 -14.911 1.00 21.40 H new HETATM 0 HE3 DLY A 19 2.590 4.095 -14.279 1.00 21.51 H new HETATM 0 HE2 DLY A 19 4.207 3.954 -13.620 1.00 21.51 H new HETATM 0 HD3 DLY A 19 2.538 1.639 -14.685 1.00 15.41 H new HETATM 0 HD2 DLY A 19 2.750 2.037 -12.991 1.00 15.41 H new HETATM 0 HB3 DLY A 19 3.505 -0.622 -14.254 1.00 33.34 H new HETATM 0 HB2 DLY A 19 3.669 -0.178 -12.567 1.00 33.34 H new HETATM 0 HA DLY A 19 6.117 -0.724 -12.678 1.00 4.53 H new HETATM 291 N DLY A 20 6.366 -2.484 -15.217 1.00 72.21 N HETATM 292 CA DLY A 20 7.028 -2.710 -16.475 1.00 10.02 C HETATM 293 C DLY A 20 8.507 -2.953 -16.278 1.00 34.14 C HETATM 294 O DLY A 20 8.933 -4.077 -16.027 1.00 51.32 O HETATM 295 CB DLY A 20 6.394 -3.880 -17.247 1.00 32.10 C HETATM 296 CG DLY A 20 4.917 -3.685 -17.566 1.00 52.04 C HETATM 297 CD DLY A 20 4.357 -4.782 -18.477 1.00 31.13 C HETATM 298 CE DLY A 20 4.492 -6.173 -17.874 1.00 32.03 C HETATM 299 NZ DLY A 20 3.874 -7.208 -18.720 1.00 33.00 N HETATM 0 HZ2 DLY A 20 3.896 -8.185 -18.428 1.00 33.00 H new HETATM 0 HZ1 DLY A 20 3.424 -6.948 -19.598 1.00 33.00 H new HETATM 0 HG3 DLY A 20 4.349 -3.666 -16.636 1.00 52.04 H new HETATM 0 HG2 DLY A 20 4.778 -2.716 -18.045 1.00 52.04 H new HETATM 0 HE3 DLY A 20 5.548 -6.405 -17.732 1.00 32.03 H new HETATM 0 HE2 DLY A 20 4.027 -6.187 -16.888 1.00 32.03 H new HETATM 0 HD3 DLY A 20 3.305 -4.579 -18.679 1.00 31.13 H new HETATM 0 HD2 DLY A 20 4.877 -4.754 -19.435 1.00 31.13 H new HETATM 0 HB3 DLY A 20 6.940 -4.025 -18.179 1.00 32.10 H new HETATM 0 HB2 DLY A 20 6.511 -4.793 -16.663 1.00 32.10 H new HETATM 0 HA DLY A 20 6.902 -1.805 -17.070 1.00 10.02 H new HETATM 313 N DCY A 21 9.268 -1.906 -16.330 1.00 4.35 N HETATM 314 CA DCY A 21 10.697 -2.011 -16.238 1.00 74.25 C HETATM 315 C DCY A 21 11.313 -1.915 -17.598 1.00 54.00 C HETATM 316 O DCY A 21 10.902 -1.088 -18.423 1.00 41.23 O HETATM 317 CB DCY A 21 11.283 -0.913 -15.372 1.00 25.01 C HETATM 318 SG DCY A 21 10.801 -0.963 -13.646 1.00 51.44 S HETATM 0 HB3 DCY A 21 12.370 -0.967 -15.431 1.00 25.01 H new HETATM 0 HB2 DCY A 21 10.989 0.051 -15.787 1.00 25.01 H new HETATM 0 HA DCY A 21 10.918 -2.978 -15.787 1.00 74.25 H new HETATM 323 N DLY A 22 12.251 -2.769 -17.843 1.00 70.32 N HETATM 324 CA DLY A 22 13.042 -2.722 -19.028 1.00 70.14 C HETATM 325 C DLY A 22 14.444 -3.103 -18.650 1.00 53.21 C HETATM 326 O DLY A 22 14.653 -3.745 -17.613 1.00 52.52 O HETATM 327 CB DLY A 22 12.505 -3.631 -20.145 1.00 74.33 C HETATM 328 CG DLY A 22 12.379 -5.087 -19.772 1.00 73.25 C HETATM 329 CD DLY A 22 12.058 -5.931 -20.988 1.00 43.11 C HETATM 330 CE DLY A 22 11.931 -7.397 -20.623 1.00 22.14 C HETATM 331 NZ DLY A 22 13.103 -7.890 -19.888 1.00 12.41 N HETATM 0 HZ2 DLY A 22 13.142 -8.863 -19.584 1.00 12.41 H new HETATM 0 HZ1 DLY A 22 13.878 -7.260 -19.682 1.00 12.41 H new HETATM 0 HG3 DLY A 22 13.309 -5.432 -19.320 1.00 73.25 H new HETATM 0 HG2 DLY A 22 11.596 -5.208 -19.023 1.00 73.25 H new HETATM 0 HE3 DLY A 22 11.037 -7.542 -20.017 1.00 22.14 H new HETATM 0 HE2 DLY A 22 11.800 -7.986 -21.531 1.00 22.14 H new HETATM 0 HD3 DLY A 22 11.128 -5.584 -21.439 1.00 43.11 H new HETATM 0 HD2 DLY A 22 12.841 -5.807 -21.736 1.00 43.11 H new HETATM 0 HB3 DLY A 22 11.526 -3.264 -20.454 1.00 74.33 H new HETATM 0 HB2 DLY A 22 13.164 -3.548 -21.010 1.00 74.33 H new HETATM 0 HA DLY A 22 13.008 -1.712 -19.438 1.00 70.14 H new HETATM 0 H DLY A 22 12.679 -3.030 -16.954 1.00 70.32 H new HETATM 345 N DAR A 23 15.383 -2.683 -19.427 1.00 62.03 N HETATM 346 CA DAR A 23 16.765 -2.982 -19.174 1.00 51.23 C HETATM 347 CB DAR A 23 17.602 -1.705 -19.335 1.00 74.45 C HETATM 348 CG DAR A 23 19.106 -1.878 -19.212 1.00 71.54 C HETATM 349 CD DAR A 23 19.777 -0.571 -18.801 1.00 51.11 C HETATM 350 NE DAR A 23 19.344 0.586 -19.595 1.00 20.14 N HETATM 351 CZ DAR A 23 19.705 1.858 -19.353 1.00 20.10 C HETATM 352 NH1 DAR A 23 20.572 2.146 -18.371 1.00 60.30 N HETATM 353 NH2 DAR A 23 19.179 2.837 -20.078 1.00 23.33 N HETATM 354 C DAR A 23 17.241 -4.130 -20.049 1.00 54.34 C HETATM 355 O DAR A 23 18.086 -4.911 -19.652 1.00 51.01 O HETATM 0 HH22 DAR A 23 19.448 3.805 -19.900 1.00 23.33 H new HETATM 0 HH21 DAR A 23 18.505 2.622 -20.813 1.00 23.33 H new HETATM 0 HH12 DAR A 23 20.840 3.114 -18.195 1.00 60.30 H new HETATM 0 HH11 DAR A 23 20.963 1.397 -17.800 1.00 60.30 H new HETATM 0 HG3 DAR A 23 19.327 -2.651 -18.476 1.00 71.54 H new HETATM 0 HG2 DAR A 23 19.515 -2.217 -20.164 1.00 71.54 H new HETATM 0 HE DAR A 23 18.725 0.412 -20.387 1.00 20.14 H new HETATM 0 HD3 DAR A 23 19.566 -0.379 -17.749 1.00 51.11 H new HETATM 0 HD2 DAR A 23 20.857 -0.682 -18.894 1.00 51.11 H new HETATM 0 HB3 DAR A 23 17.384 -1.272 -20.311 1.00 74.45 H new HETATM 0 HB2 DAR A 23 17.276 -0.983 -18.586 1.00 74.45 H new HETATM 0 HA DAR A 23 16.889 -3.323 -18.146 1.00 51.23 H new HETATM 0 H DAR A 23 15.103 -1.733 -19.670 1.00 62.03 H new HETATM 369 N DAR A 24 16.654 -4.266 -21.216 1.00 61.10 N HETATM 370 CA DAR A 24 17.043 -5.345 -22.108 1.00 2.54 C HETATM 371 CB DAR A 24 16.784 -5.030 -23.599 1.00 61.42 C HETATM 372 CG DAR A 24 17.751 -4.016 -24.229 1.00 73.23 C HETATM 373 CD DAR A 24 17.604 -2.627 -23.638 1.00 41.43 C HETATM 374 NE DAR A 24 18.565 -1.673 -24.192 1.00 54.24 N HETATM 375 CZ DAR A 24 18.470 -0.343 -24.080 1.00 33.23 C HETATM 376 NH1 DAR A 24 17.446 0.201 -23.426 1.00 13.23 N HETATM 377 NH2 DAR A 24 19.397 0.441 -24.617 1.00 33.00 N HETATM 378 C DAR A 24 16.375 -6.643 -21.701 1.00 65.21 C HETATM 379 O DAR A 24 15.208 -6.655 -21.261 1.00 54.34 O HETATM 0 HH22 DAR A 24 19.321 1.454 -24.529 1.00 33.00 H new HETATM 0 HH21 DAR A 24 20.185 0.030 -25.117 1.00 33.00 H new HETATM 0 HH12 DAR A 24 17.376 1.215 -23.342 1.00 13.23 H new HETATM 0 HH11 DAR A 24 16.732 -0.396 -23.009 1.00 13.23 H new HETATM 0 HG3 DAR A 24 18.776 -4.360 -24.088 1.00 73.23 H new HETATM 0 HG2 DAR A 24 17.575 -3.970 -25.304 1.00 73.23 H new HETATM 0 HE DAR A 24 19.365 -2.049 -24.700 1.00 54.24 H new HETATM 0 HD3 DAR A 24 16.592 -2.264 -23.820 1.00 41.43 H new HETATM 0 HD2 DAR A 24 17.734 -2.681 -22.557 1.00 41.43 H new HETATM 0 HB3 DAR A 24 16.838 -5.960 -24.165 1.00 61.42 H new HETATM 0 HB2 DAR A 24 15.767 -4.652 -23.703 1.00 61.42 H new HETATM 0 HA DAR A 24 18.123 -5.456 -22.007 1.00 2.54 H new HETATM 0 H DAR A 24 16.254 -3.408 -21.597 1.00 61.10 H new ATOM 393 N GLY A 25 17.107 -7.719 -21.796 1.00 63.14 N ATOM 394 CA GLY A 25 16.568 -8.999 -21.453 1.00 31.31 C ATOM 395 C GLY A 25 17.537 -9.853 -20.676 1.00 53.32 C ATOM 396 O GLY A 25 17.373 -11.072 -20.611 1.00 33.02 O ATOM 0 H GLY A 25 18.078 -7.731 -22.108 1.00 63.14 H new ATOM 0 HA2 GLY A 25 15.661 -8.860 -20.865 1.00 31.31 H new ATOM 0 HA3 GLY A 25 16.280 -9.523 -22.365 1.00 31.31 H new HETATM 400 N DTH A 26 18.561 -9.242 -20.102 1.00 44.30 N HETATM 401 CA DTH A 26 19.509 -10.001 -19.311 1.00 3.12 C HETATM 402 CB DTH A 26 18.877 -10.483 -17.959 1.00 71.12 C HETATM 403 CG2 DTH A 26 19.902 -11.182 -17.069 1.00 75.31 C HETATM 404 OG1 DTH A 26 18.295 -9.375 -17.246 1.00 75.34 O HETATM 405 C DTH A 26 20.844 -9.263 -19.091 1.00 14.24 C HETATM 406 O DTH A 26 21.908 -9.797 -19.408 1.00 51.35 O HETATM 0 HG23 DTH A 26 20.301 -12.053 -17.589 1.00 75.31 H new HETATM 0 HG22 DTH A 26 20.714 -10.493 -16.839 1.00 75.31 H new HETATM 0 HG21 DTH A 26 19.423 -11.500 -16.143 1.00 75.31 H new HETATM 0 HG1 DTH A 26 17.326 -9.366 -17.390 1.00 75.34 H new HETATM 0 HB DTH A 26 18.098 -11.203 -18.210 1.00 71.12 H new HETATM 0 HA DTH A 26 19.752 -10.888 -19.896 1.00 3.12 H new HETATM 414 N DSG A 27 20.796 -8.047 -18.589 1.00 40.10 N HETATM 415 CA DSG A 27 22.021 -7.337 -18.259 1.00 24.14 C HETATM 416 C DSG A 27 21.821 -5.833 -18.497 1.00 44.02 C HETATM 417 O DSG A 27 20.817 -5.424 -19.051 1.00 4.40 O HETATM 418 CB DSG A 27 22.413 -7.643 -16.772 1.00 53.15 C HETATM 419 CG DSG A 27 23.825 -7.184 -16.395 1.00 31.10 C HETATM 420 OD1 DSG A 27 24.714 -7.126 -17.241 1.00 21.34 O HETATM 421 ND2 DSG A 27 24.034 -6.834 -15.154 1.00 24.21 N HETATM 0 HD22 DSG A 27 24.960 -6.522 -14.861 1.00 24.21 H new HETATM 0 HD21 DSG A 27 23.271 -6.873 -14.478 1.00 24.21 H new HETATM 0 HB3 DSG A 27 21.695 -7.158 -16.110 1.00 53.15 H new HETATM 0 HB2 DSG A 27 22.332 -8.716 -16.599 1.00 53.15 H new HETATM 0 HA DSG A 27 22.838 -7.671 -18.899 1.00 24.14 H new HETATM 0 H DSG A 27 19.981 -7.531 -18.921 1.00 40.10 H new HETATM 428 N DIL A 28 22.768 -5.033 -18.085 1.00 74.51 N HETATM 429 CA DIL A 28 22.727 -3.584 -18.230 1.00 54.03 C HETATM 430 C DIL A 28 21.955 -2.917 -17.035 1.00 72.33 C HETATM 431 O DIL A 28 22.066 -1.714 -16.758 1.00 43.53 O HETATM 432 CB DIL A 28 24.206 -3.043 -18.431 1.00 3.41 C HETATM 433 CG1 DIL A 28 25.213 -3.481 -17.306 1.00 32.03 C HETATM 434 CG2 DIL A 28 24.268 -1.548 -18.706 1.00 42.14 C HETATM 435 CD1 DIL A 28 24.992 -2.901 -15.917 1.00 3.20 C HETATM 0 HG23 DIL A 28 23.710 -1.322 -19.614 1.00 42.14 H new HETATM 0 HG22 DIL A 28 23.832 -1.005 -17.867 1.00 42.14 H new HETATM 0 HG21 DIL A 28 25.307 -1.244 -18.833 1.00 42.14 H new HETATM 0 HG13 DIL A 28 25.182 -4.568 -17.228 1.00 32.03 H new HETATM 0 HG12 DIL A 28 26.219 -3.213 -17.629 1.00 32.03 H new HETATM 0 HD13 DIL A 28 25.058 -1.814 -15.962 1.00 3.20 H new HETATM 0 HD12 DIL A 28 24.005 -3.190 -15.555 1.00 3.20 H new HETATM 0 HD11 DIL A 28 25.754 -3.283 -15.238 1.00 3.20 H new HETATM 0 HB DIL A 28 24.549 -3.541 -19.338 1.00 3.41 H new HETATM 0 HA DIL A 28 22.160 -3.306 -19.118 1.00 54.03 H new HETATM 447 N DGL A 29 21.130 -3.691 -16.393 1.00 60.11 N HETATM 448 CA DGL A 29 20.380 -3.228 -15.251 1.00 54.51 C HETATM 449 C DGL A 29 18.910 -3.240 -15.588 1.00 65.12 C HETATM 450 O DGL A 29 18.460 -4.091 -16.353 1.00 71.11 O HETATM 451 CB DGL A 29 20.628 -4.152 -14.077 1.00 52.35 C HETATM 452 CG DGL A 29 22.084 -4.297 -13.713 1.00 74.44 C HETATM 453 CD DGL A 29 22.290 -5.317 -12.646 1.00 40.11 C HETATM 454 OE1 DGL A 29 22.397 -4.948 -11.451 1.00 11.03 O HETATM 455 OE2 DGL A 29 22.322 -6.513 -12.972 1.00 1.30 O HETATM 0 HG3 DGL A 29 22.654 -4.578 -14.599 1.00 74.44 H new HETATM 0 HG2 DGL A 29 22.472 -3.336 -13.376 1.00 74.44 H new HETATM 0 HB3 DGL A 29 20.082 -3.778 -13.211 1.00 52.35 H new HETATM 0 HB2 DGL A 29 20.222 -5.136 -14.309 1.00 52.35 H new HETATM 0 HA DGL A 29 20.693 -2.217 -14.993 1.00 54.51 H new HETATM 462 N DLY A 30 18.170 -2.300 -15.052 1.00 31.01 N HETATM 463 CA DLY A 30 16.751 -2.275 -15.262 1.00 20.21 C HETATM 464 C DLY A 30 16.092 -3.270 -14.346 1.00 14.41 C HETATM 465 O DLY A 30 16.391 -3.309 -13.145 1.00 1.22 O HETATM 466 CB DLY A 30 16.169 -0.904 -15.005 1.00 43.15 C HETATM 467 CG DLY A 30 16.774 0.190 -15.848 1.00 3.42 C HETATM 468 CD DLY A 30 15.743 1.240 -16.159 1.00 12.04 C HETATM 469 CE DLY A 30 15.151 1.877 -14.902 1.00 23.33 C HETATM 470 NZ DLY A 30 14.086 2.852 -15.222 1.00 31.05 N HETATM 0 HZ2 DLY A 30 13.607 3.349 -14.471 1.00 31.05 H new HETATM 0 HZ1 DLY A 30 13.830 3.027 -16.194 1.00 31.05 H new HETATM 0 HG3 DLY A 30 17.615 0.641 -15.321 1.00 3.42 H new HETATM 0 HG2 DLY A 30 17.166 -0.230 -16.774 1.00 3.42 H new HETATM 0 HE3 DLY A 30 14.746 1.097 -14.257 1.00 23.33 H new HETATM 0 HE2 DLY A 30 15.942 2.375 -14.342 1.00 23.33 H new HETATM 0 HD3 DLY A 30 16.196 2.016 -16.776 1.00 12.04 H new HETATM 0 HD2 DLY A 30 14.941 0.793 -16.747 1.00 12.04 H new HETATM 0 HB3 DLY A 30 15.095 -0.937 -15.188 1.00 43.15 H new HETATM 0 HB2 DLY A 30 16.306 -0.655 -13.953 1.00 43.15 H new HETATM 0 HA DLY A 30 16.564 -2.532 -16.305 1.00 20.21 H new HETATM 484 N DAR A 31 15.216 -4.068 -14.885 1.00 54.32 N HETATM 485 CA DAR A 31 14.520 -5.062 -14.109 1.00 11.43 C HETATM 486 CB DAR A 31 15.025 -6.475 -14.459 1.00 62.11 C HETATM 487 CG DAR A 31 16.504 -6.686 -14.148 1.00 21.14 C HETATM 488 CD DAR A 31 16.974 -8.085 -14.502 1.00 31.44 C HETATM 489 NE DAR A 31 16.337 -9.135 -13.684 1.00 43.22 N HETATM 490 CZ DAR A 31 16.606 -10.446 -13.795 1.00 73.11 C HETATM 491 NH1 DAR A 31 17.455 -10.870 -14.721 1.00 1.14 N HETATM 492 NH2 DAR A 31 16.016 -11.323 -12.986 1.00 42.30 N HETATM 493 C DAR A 31 13.016 -4.947 -14.331 1.00 43.53 C HETATM 494 O DAR A 31 12.565 -4.655 -15.457 1.00 42.11 O HETATM 0 HH22 DAR A 31 16.223 -12.318 -13.074 1.00 42.30 H new HETATM 0 HH21 DAR A 31 15.356 -11.000 -12.278 1.00 42.30 H new HETATM 0 HH12 DAR A 31 17.661 -11.865 -14.807 1.00 1.14 H new HETATM 0 HH11 DAR A 31 17.902 -10.201 -15.347 1.00 1.14 H new HETATM 0 HG3 DAR A 31 17.097 -5.956 -14.699 1.00 21.14 H new HETATM 0 HG2 DAR A 31 16.680 -6.504 -13.088 1.00 21.14 H new HETATM 0 HE DAR A 31 15.648 -8.846 -12.989 1.00 43.22 H new HETATM 0 HD3 DAR A 31 16.765 -8.276 -15.555 1.00 31.44 H new HETATM 0 HD2 DAR A 31 18.055 -8.141 -14.376 1.00 31.44 H new HETATM 0 HB3 DAR A 31 14.437 -7.209 -13.908 1.00 62.11 H new HETATM 0 HB2 DAR A 31 14.854 -6.661 -15.519 1.00 62.11 H new HETATM 0 HA DAR A 31 14.723 -4.886 -13.053 1.00 11.43 H new HETATM 508 N DCY A 32 12.255 -5.155 -13.281 1.00 21.22 N HETATM 509 CA DCY A 32 10.811 -5.072 -13.343 1.00 65.25 C HETATM 510 C DCY A 32 10.287 -6.422 -13.748 1.00 24.23 C HETATM 511 O DCY A 32 10.794 -7.456 -13.272 1.00 74.25 O HETATM 512 CB DCY A 32 10.183 -4.781 -11.963 1.00 24.13 C HETATM 513 SG DCY A 32 11.005 -3.538 -10.922 1.00 45.32 S HETATM 0 HB3 DCY A 32 9.153 -4.461 -12.121 1.00 24.13 H new HETATM 0 HB2 DCY A 32 10.144 -5.717 -11.405 1.00 24.13 H new HETATM 0 HA DCY A 32 10.558 -4.272 -14.039 1.00 65.25 H new HETATM 518 N DAR A 33 9.337 -6.435 -14.631 1.00 5.52 N HETATM 519 CA DAR A 33 8.631 -7.631 -14.958 1.00 5.13 C HETATM 520 CB DAR A 33 8.853 -8.090 -16.404 1.00 4.13 C HETATM 521 CG DAR A 33 8.579 -7.051 -17.455 1.00 3.12 C HETATM 522 CD DAR A 33 8.631 -7.657 -18.820 1.00 75.31 C HETATM 523 NE DAR A 33 8.428 -6.653 -19.855 1.00 30.20 N HETATM 524 CZ DAR A 33 8.452 -6.893 -21.176 1.00 24.12 C HETATM 525 NH1 DAR A 33 8.738 -8.108 -21.632 1.00 0.32 N HETATM 526 NH2 DAR A 33 8.201 -5.917 -22.036 1.00 11.30 N HETATM 527 C DAR A 33 7.166 -7.431 -14.622 1.00 52.44 C HETATM 528 O DAR A 33 6.814 -7.612 -13.450 1.00 23.04 O HETATM 529 OXT DAR A 33 6.364 -7.042 -15.491 1.00 0.00 O HETATM 0 HH22 DAR A 33 8.220 -6.103 -23.039 1.00 11.30 H new HETATM 0 HH21 DAR A 33 7.989 -4.979 -21.695 1.00 11.30 H new HETATM 0 HH12 DAR A 33 8.755 -8.285 -22.636 1.00 0.32 H new HETATM 0 HH11 DAR A 33 8.941 -8.864 -20.978 1.00 0.32 H new HETATM 0 HG3 DAR A 33 7.599 -6.605 -17.286 1.00 3.12 H new HETATM 0 HG2 DAR A 33 9.312 -6.248 -17.380 1.00 3.12 H new HETATM 0 HE DAR A 33 8.254 -5.694 -19.554 1.00 30.20 H new HETATM 0 HD3 DAR A 33 9.595 -8.144 -18.967 1.00 75.31 H new HETATM 0 HD2 DAR A 33 7.867 -8.430 -18.906 1.00 75.31 H new HETATM 0 HB3 DAR A 33 9.885 -8.425 -16.507 1.00 4.13 H new HETATM 0 HB2 DAR A 33 8.217 -8.954 -16.596 1.00 4.13 H new HETATM 0 HA DAR A 33 9.029 -8.449 -14.358 1.00 5.13 H new TER 543 DAR A 33