USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 657 hydrogens (0 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 Set 1.1: A 84 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Set 1.2: A 121 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 87 ASN : amide:sc= 2.45 K(o=2.3,f=-8.9!) USER MOD Set 2.2: A 89 HIS : no HD1:sc= -0.172 X(o=2.3,f=2.5) USER MOD Set 2.3: A 90 THR OG1 : rot 180:sc= 0.0555 USER MOD Single : A 81 LYS NZ :NH3+ 166:sc= 1.22 (180deg=0.781) USER MOD Single : A 83 LYS NZ :NH3+ 164:sc= 2.05 (180deg=1.5) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.171 USER MOD Single : A 97 LYS NZ :NH3+ 165:sc= 1.25 (180deg=1.04) USER MOD Single : A 100 ASN : amide:sc= 0.115 K(o=0.11,f=-1.4) USER MOD Single : A 101 HIS : no HE2:sc= 0.788 K(o=0.79,f=-2.4!) USER MOD Single : A 102 LYS NZ :NH3+ -167:sc= 1.24 (180deg=1.15) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -158:sc= 1.13 (180deg=0.58) USER MOD Single : A 108 LYS NZ :NH3+ -141:sc= 2.35 (180deg=-0.515) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot 90:sc= 1.25 USER MOD Single : A 125 HIS : no HE2:sc= 0.368 K(o=0.37,f=-2.3!) USER MOD Single : B 1 DC O5' : rot 180:sc= 0 USER MOD Single : B 5 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 9 DT C7 :methyl -30:sc= -0.301 (180deg=-0.588) USER MOD Single : B 12 DG O3' : rot 180:sc= 0 USER MOD Single : C 13 DC O5' : rot 180:sc= 0 USER MOD Single : C 17 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : C 19 DT C7 :methyl 150:sc= -0.196 (180deg=-0.196) USER MOD Single : C 21 DT C7 :methyl 150:sc= -1.1 (180deg=-1.1) USER MOD Single : C 24 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 79 -0.994 6.578 9.530 1.00 1.00 N ATOM 2 CA ALA A 79 0.108 5.930 8.764 1.00 1.00 C ATOM 3 C ALA A 79 0.464 6.735 7.511 1.00 1.00 C ATOM 4 O ALA A 79 -0.364 7.472 6.992 1.00 1.00 O ATOM 5 CB ALA A 79 -0.309 4.496 8.390 1.00 1.00 C ATOM 0 HA ALA A 79 0.999 5.897 9.391 1.00 1.00 H new ATOM 0 HB1 ALA A 79 0.494 4.018 7.829 1.00 1.00 H new ATOM 0 HB2 ALA A 79 -0.507 3.926 9.298 1.00 1.00 H new ATOM 0 HB3 ALA A 79 -1.210 4.527 7.778 1.00 1.00 H new ATOM 11 N ARG A 80 1.685 6.570 6.991 1.00 1.00 N ATOM 12 CA ARG A 80 2.192 7.158 5.724 1.00 1.00 C ATOM 13 C ARG A 80 1.511 6.564 4.466 1.00 1.00 C ATOM 14 O ARG A 80 2.159 5.991 3.594 1.00 1.00 O ATOM 15 CB ARG A 80 3.736 7.060 5.705 1.00 1.00 C ATOM 16 CG ARG A 80 4.362 7.940 6.805 1.00 1.00 C ATOM 17 CD ARG A 80 4.426 9.425 6.428 1.00 1.00 C ATOM 18 NE ARG A 80 4.451 10.290 7.628 1.00 1.00 N ATOM 19 CZ ARG A 80 3.438 10.969 8.137 1.00 1.00 C ATOM 20 NH1 ARG A 80 2.250 10.970 7.618 1.00 1.00 N ATOM 21 NH2 ARG A 80 3.576 11.729 9.177 1.00 1.00 N ATOM 0 H ARG A 80 2.389 5.997 7.457 1.00 1.00 H new ATOM 0 HA ARG A 80 1.920 8.213 5.689 1.00 1.00 H new ATOM 0 HB2 ARG A 80 4.039 6.023 5.848 1.00 1.00 H new ATOM 0 HB3 ARG A 80 4.111 7.370 4.730 1.00 1.00 H new ATOM 0 HG2 ARG A 80 3.784 7.829 7.722 1.00 1.00 H new ATOM 0 HG3 ARG A 80 5.369 7.582 7.018 1.00 1.00 H new ATOM 0 HD2 ARG A 80 5.316 9.610 5.826 1.00 1.00 H new ATOM 0 HD3 ARG A 80 3.565 9.682 5.811 1.00 1.00 H new ATOM 0 HE ARG A 80 5.344 10.371 8.114 1.00 1.00 H new ATOM 0 HH11 ARG A 80 2.061 10.428 6.775 1.00 1.00 H new ATOM 0 HH12 ARG A 80 1.504 11.513 8.053 1.00 1.00 H new ATOM 0 HH21 ARG A 80 4.487 11.816 9.628 1.00 1.00 H new ATOM 0 HH22 ARG A 80 2.774 12.240 9.545 1.00 1.00 H new ATOM 35 N LYS A 81 0.179 6.665 4.409 1.00 1.00 N ATOM 36 CA LYS A 81 -0.730 6.246 3.341 1.00 1.00 C ATOM 37 C LYS A 81 -0.325 6.858 2.007 1.00 1.00 C ATOM 38 O LYS A 81 -0.102 8.061 1.877 1.00 1.00 O ATOM 39 CB LYS A 81 -2.159 6.701 3.706 1.00 1.00 C ATOM 40 CG LYS A 81 -2.808 5.876 4.829 1.00 1.00 C ATOM 41 CD LYS A 81 -3.841 6.701 5.606 1.00 1.00 C ATOM 42 CE LYS A 81 -4.613 5.804 6.588 1.00 1.00 C ATOM 43 NZ LYS A 81 -5.378 6.606 7.583 1.00 1.00 N ATOM 0 H LYS A 81 -0.337 7.082 5.184 1.00 1.00 H new ATOM 0 HA LYS A 81 -0.687 5.161 3.242 1.00 1.00 H new ATOM 0 HB2 LYS A 81 -2.130 7.748 4.008 1.00 1.00 H new ATOM 0 HB3 LYS A 81 -2.787 6.643 2.817 1.00 1.00 H new ATOM 0 HG2 LYS A 81 -3.289 4.995 4.404 1.00 1.00 H new ATOM 0 HG3 LYS A 81 -2.037 5.519 5.512 1.00 1.00 H new ATOM 0 HD2 LYS A 81 -3.341 7.502 6.151 1.00 1.00 H new ATOM 0 HD3 LYS A 81 -4.536 7.173 4.911 1.00 1.00 H new ATOM 0 HE2 LYS A 81 -5.298 5.163 6.033 1.00 1.00 H new ATOM 0 HE3 LYS A 81 -3.914 5.149 7.109 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -6.063 5.993 8.070 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 -4.721 7.013 8.279 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -5.885 7.372 7.095 1.00 1.00 H new ATOM 57 N VAL A 82 -0.263 5.981 1.019 1.00 1.00 N ATOM 58 CA VAL A 82 -0.047 6.327 -0.387 1.00 1.00 C ATOM 59 C VAL A 82 -1.293 6.957 -1.009 1.00 1.00 C ATOM 60 O VAL A 82 -2.401 6.434 -0.886 1.00 1.00 O ATOM 61 CB VAL A 82 0.329 5.071 -1.198 1.00 1.00 C ATOM 62 CG1 VAL A 82 0.455 5.342 -2.704 1.00 1.00 C ATOM 63 CG2 VAL A 82 1.643 4.490 -0.675 1.00 1.00 C ATOM 0 H VAL A 82 -0.364 4.978 1.171 1.00 1.00 H new ATOM 0 HA VAL A 82 0.767 7.051 -0.418 1.00 1.00 H new ATOM 0 HB VAL A 82 -0.485 4.358 -1.066 1.00 1.00 H new ATOM 0 HG11 VAL A 82 0.721 4.419 -3.219 1.00 1.00 H new ATOM 0 HG12 VAL A 82 -0.496 5.710 -3.088 1.00 1.00 H new ATOM 0 HG13 VAL A 82 1.229 6.090 -2.876 1.00 1.00 H new ATOM 0 HG21 VAL A 82 1.904 3.603 -1.252 1.00 1.00 H new ATOM 0 HG22 VAL A 82 2.434 5.233 -0.774 1.00 1.00 H new ATOM 0 HG23 VAL A 82 1.529 4.220 0.375 1.00 1.00 H new ATOM 73 N LYS A 83 -1.097 8.051 -1.740 1.00 1.00 N ATOM 74 CA LYS A 83 -2.090 8.647 -2.616 1.00 1.00 C ATOM 75 C LYS A 83 -1.641 8.366 -4.040 1.00 1.00 C ATOM 76 O LYS A 83 -0.515 8.689 -4.426 1.00 1.00 O ATOM 77 CB LYS A 83 -2.234 10.161 -2.418 1.00 1.00 C ATOM 78 CG LYS A 83 -3.424 10.501 -1.519 1.00 1.00 C ATOM 79 CD LYS A 83 -3.458 12.018 -1.293 1.00 1.00 C ATOM 80 CE LYS A 83 -4.770 12.460 -0.648 1.00 1.00 C ATOM 81 NZ LYS A 83 -4.628 13.794 -0.027 1.00 1.00 N ATOM 0 H LYS A 83 -0.213 8.560 -1.736 1.00 1.00 H new ATOM 0 HA LYS A 83 -3.065 8.216 -2.390 1.00 1.00 H new ATOM 0 HB2 LYS A 83 -1.320 10.560 -1.978 1.00 1.00 H new ATOM 0 HB3 LYS A 83 -2.359 10.645 -3.387 1.00 1.00 H new ATOM 0 HG2 LYS A 83 -4.353 10.168 -1.981 1.00 1.00 H new ATOM 0 HG3 LYS A 83 -3.337 9.980 -0.566 1.00 1.00 H new ATOM 0 HD2 LYS A 83 -2.622 12.311 -0.657 1.00 1.00 H new ATOM 0 HD3 LYS A 83 -3.329 12.532 -2.246 1.00 1.00 H new ATOM 0 HE2 LYS A 83 -5.559 12.486 -1.400 1.00 1.00 H new ATOM 0 HE3 LYS A 83 -5.072 11.733 0.106 1.00 1.00 H new ATOM 0 HZ1 LYS A 83 -5.570 14.191 0.162 1.00 1.00 H new ATOM 0 HZ2 LYS A 83 -4.104 13.707 0.867 1.00 1.00 H new ATOM 0 HZ3 LYS A 83 -4.110 14.424 -0.672 1.00 1.00 H new ATOM 95 N GLN A 84 -2.497 7.698 -4.802 1.00 1.00 N ATOM 96 CA GLN A 84 -2.314 7.594 -6.231 1.00 1.00 C ATOM 97 C GLN A 84 -2.928 8.877 -6.777 1.00 1.00 C ATOM 98 O GLN A 84 -3.954 9.345 -6.284 1.00 1.00 O ATOM 99 CB GLN A 84 -2.962 6.314 -6.796 1.00 1.00 C ATOM 100 CG GLN A 84 -3.668 6.469 -8.147 1.00 1.00 C ATOM 101 CD GLN A 84 -4.178 5.122 -8.655 1.00 1.00 C ATOM 102 OE1 GLN A 84 -5.352 4.791 -8.553 1.00 1.00 O ATOM 103 NE2 GLN A 84 -3.320 4.280 -9.192 1.00 1.00 N ATOM 0 H GLN A 84 -3.325 7.221 -4.446 1.00 1.00 H new ATOM 0 HA GLN A 84 -1.268 7.502 -6.522 1.00 1.00 H new ATOM 0 HB2 GLN A 84 -2.190 5.551 -6.895 1.00 1.00 H new ATOM 0 HB3 GLN A 84 -3.685 5.943 -6.069 1.00 1.00 H new ATOM 0 HG2 GLN A 84 -4.502 7.164 -8.048 1.00 1.00 H new ATOM 0 HG3 GLN A 84 -2.979 6.899 -8.874 1.00 1.00 H new ATOM 0 HE21 GLN A 84 -2.338 4.541 -9.284 1.00 1.00 H new ATOM 0 HE22 GLN A 84 -3.637 3.366 -9.516 1.00 1.00 H new ATOM 112 N TYR A 85 -2.322 9.411 -7.821 1.00 1.00 N ATOM 113 CA TYR A 85 -2.837 10.557 -8.562 1.00 1.00 C ATOM 114 C TYR A 85 -2.892 10.175 -10.040 1.00 1.00 C ATOM 115 O TYR A 85 -1.987 9.502 -10.526 1.00 1.00 O ATOM 116 CB TYR A 85 -1.934 11.778 -8.329 1.00 1.00 C ATOM 117 CG TYR A 85 -1.703 12.174 -6.882 1.00 1.00 C ATOM 118 CD1 TYR A 85 -2.631 13.006 -6.231 1.00 1.00 C ATOM 119 CD2 TYR A 85 -0.536 11.760 -6.208 1.00 1.00 C ATOM 120 CE1 TYR A 85 -2.396 13.449 -4.915 1.00 1.00 C ATOM 121 CE2 TYR A 85 -0.287 12.203 -4.896 1.00 1.00 C ATOM 122 CZ TYR A 85 -1.209 13.059 -4.254 1.00 1.00 C ATOM 123 OH TYR A 85 -0.959 13.503 -2.993 1.00 1.00 O ATOM 0 H TYR A 85 -1.439 9.056 -8.189 1.00 1.00 H new ATOM 0 HA TYR A 85 -3.838 10.824 -8.222 1.00 1.00 H new ATOM 0 HB2 TYR A 85 -0.966 11.581 -8.789 1.00 1.00 H new ATOM 0 HB3 TYR A 85 -2.368 12.630 -8.852 1.00 1.00 H new ATOM 0 HD1 TYR A 85 -3.532 13.308 -6.745 1.00 1.00 H new ATOM 0 HD2 TYR A 85 0.167 11.103 -6.699 1.00 1.00 H new ATOM 0 HE1 TYR A 85 -3.116 14.081 -4.416 1.00 1.00 H new ATOM 0 HE2 TYR A 85 0.608 11.889 -4.380 1.00 1.00 H new ATOM 0 HH TYR A 85 -0.102 13.142 -2.683 1.00 1.00 H new ATOM 133 N LYS A 86 -3.925 10.607 -10.761 1.00 1.00 N ATOM 134 CA LYS A 86 -4.108 10.357 -12.198 1.00 1.00 C ATOM 135 C LYS A 86 -4.460 11.668 -12.893 1.00 1.00 C ATOM 136 O LYS A 86 -5.197 12.472 -12.334 1.00 1.00 O ATOM 137 CB LYS A 86 -5.193 9.279 -12.380 1.00 1.00 C ATOM 138 CG LYS A 86 -5.565 9.036 -13.854 1.00 1.00 C ATOM 139 CD LYS A 86 -6.395 7.755 -14.001 1.00 1.00 C ATOM 140 CE LYS A 86 -6.682 7.478 -15.485 1.00 1.00 C ATOM 141 NZ LYS A 86 -7.523 6.261 -15.668 1.00 1.00 N ATOM 0 H LYS A 86 -4.682 11.157 -10.354 1.00 1.00 H new ATOM 0 HA LYS A 86 -3.191 9.984 -12.654 1.00 1.00 H new ATOM 0 HB2 LYS A 86 -4.844 8.344 -11.941 1.00 1.00 H new ATOM 0 HB3 LYS A 86 -6.086 9.576 -11.831 1.00 1.00 H new ATOM 0 HG2 LYS A 86 -6.129 9.886 -14.236 1.00 1.00 H new ATOM 0 HG3 LYS A 86 -4.659 8.959 -14.455 1.00 1.00 H new ATOM 0 HD2 LYS A 86 -5.859 6.913 -13.563 1.00 1.00 H new ATOM 0 HD3 LYS A 86 -7.332 7.855 -13.454 1.00 1.00 H new ATOM 0 HE2 LYS A 86 -7.187 8.338 -15.924 1.00 1.00 H new ATOM 0 HE3 LYS A 86 -5.741 7.353 -16.020 1.00 1.00 H new ATOM 0 HZ1 LYS A 86 -7.695 6.107 -16.682 1.00 1.00 H new ATOM 0 HZ2 LYS A 86 -7.030 5.436 -15.271 1.00 1.00 H new ATOM 0 HZ3 LYS A 86 -8.431 6.390 -15.178 1.00 1.00 H new ATOM 155 N ASN A 87 -3.939 11.886 -14.095 1.00 1.00 N ATOM 156 CA ASN A 87 -4.080 13.154 -14.807 1.00 1.00 C ATOM 157 C ASN A 87 -5.041 13.055 -16.017 1.00 1.00 C ATOM 158 O ASN A 87 -4.674 12.461 -17.035 1.00 1.00 O ATOM 159 CB ASN A 87 -2.673 13.593 -15.209 1.00 1.00 C ATOM 160 CG ASN A 87 -2.634 14.975 -15.814 1.00 1.00 C ATOM 161 OD1 ASN A 87 -3.583 15.470 -16.400 1.00 1.00 O ATOM 162 ND2 ASN A 87 -1.545 15.674 -15.654 1.00 1.00 N ATOM 0 H ASN A 87 -3.404 11.185 -14.607 1.00 1.00 H new ATOM 0 HA ASN A 87 -4.540 13.901 -14.161 1.00 1.00 H new ATOM 0 HB2 ASN A 87 -2.027 13.569 -14.332 1.00 1.00 H new ATOM 0 HB3 ASN A 87 -2.266 12.878 -15.924 1.00 1.00 H new ATOM 0 HD21 ASN A 87 -1.492 16.626 -16.017 1.00 1.00 H new ATOM 0 HD22 ASN A 87 -0.746 15.269 -15.166 1.00 1.00 H new ATOM 169 N PRO A 88 -6.238 13.679 -15.958 1.00 1.00 N ATOM 170 CA PRO A 88 -7.190 13.755 -17.073 1.00 1.00 C ATOM 171 C PRO A 88 -6.628 14.287 -18.409 1.00 1.00 C ATOM 172 O PRO A 88 -7.141 13.935 -19.474 1.00 1.00 O ATOM 173 CB PRO A 88 -8.322 14.665 -16.577 1.00 1.00 C ATOM 174 CG PRO A 88 -8.286 14.505 -15.059 1.00 1.00 C ATOM 175 CD PRO A 88 -6.799 14.330 -14.779 1.00 1.00 C ATOM 0 HA PRO A 88 -7.505 12.741 -17.322 1.00 1.00 H new ATOM 0 HB2 PRO A 88 -8.160 15.701 -16.873 1.00 1.00 H new ATOM 0 HB3 PRO A 88 -9.286 14.363 -16.987 1.00 1.00 H new ATOM 0 HG2 PRO A 88 -8.695 15.378 -14.550 1.00 1.00 H new ATOM 0 HG3 PRO A 88 -8.865 13.643 -14.728 1.00 1.00 H new ATOM 0 HD2 PRO A 88 -6.320 15.293 -14.601 1.00 1.00 H new ATOM 0 HD3 PRO A 88 -6.639 13.725 -13.887 1.00 1.00 H new ATOM 183 N HIS A 89 -5.586 15.131 -18.371 1.00 1.00 N ATOM 184 CA HIS A 89 -5.015 15.818 -19.544 1.00 1.00 C ATOM 185 C HIS A 89 -3.916 15.023 -20.270 1.00 1.00 C ATOM 186 O HIS A 89 -3.642 15.305 -21.437 1.00 1.00 O ATOM 187 CB HIS A 89 -4.476 17.191 -19.103 1.00 1.00 C ATOM 188 CG HIS A 89 -5.490 18.033 -18.368 1.00 1.00 C ATOM 189 ND1 HIS A 89 -6.523 18.750 -18.945 1.00 1.00 N ATOM 190 CD2 HIS A 89 -5.553 18.221 -17.015 1.00 1.00 C ATOM 191 CE1 HIS A 89 -7.200 19.372 -17.957 1.00 1.00 C ATOM 192 NE2 HIS A 89 -6.624 19.066 -16.773 1.00 1.00 N ATOM 0 H HIS A 89 -5.103 15.362 -17.503 1.00 1.00 H new ATOM 0 HA HIS A 89 -5.821 15.926 -20.270 1.00 1.00 H new ATOM 0 HB2 HIS A 89 -3.607 17.042 -18.462 1.00 1.00 H new ATOM 0 HB3 HIS A 89 -4.133 17.736 -19.982 1.00 1.00 H new ATOM 0 HD2 HIS A 89 -4.893 17.792 -16.275 1.00 1.00 H new ATOM 0 HE1 HIS A 89 -8.061 20.010 -18.090 1.00 1.00 H new ATOM 0 HE2 HIS A 89 -6.926 19.400 -15.858 1.00 1.00 H new ATOM 201 N THR A 90 -3.298 14.040 -19.608 1.00 1.00 N ATOM 202 CA THR A 90 -2.140 13.287 -20.139 1.00 1.00 C ATOM 203 C THR A 90 -2.323 11.764 -20.099 1.00 1.00 C ATOM 204 O THR A 90 -1.638 11.047 -20.831 1.00 1.00 O ATOM 205 CB THR A 90 -0.859 13.627 -19.359 1.00 1.00 C ATOM 206 OG1 THR A 90 -0.990 13.149 -18.039 1.00 1.00 O ATOM 207 CG2 THR A 90 -0.593 15.126 -19.238 1.00 1.00 C ATOM 0 H THR A 90 -3.585 13.736 -18.678 1.00 1.00 H new ATOM 0 HA THR A 90 -2.060 13.594 -21.182 1.00 1.00 H new ATOM 0 HB THR A 90 -0.040 13.168 -19.913 1.00 1.00 H new ATOM 0 HG1 THR A 90 -0.178 13.359 -17.533 1.00 1.00 H new ATOM 0 HG21 THR A 90 0.327 15.288 -18.676 1.00 1.00 H new ATOM 0 HG22 THR A 90 -0.491 15.559 -20.233 1.00 1.00 H new ATOM 0 HG23 THR A 90 -1.425 15.602 -18.719 1.00 1.00 H new ATOM 215 N GLY A 91 -3.243 11.254 -19.267 1.00 1.00 N ATOM 216 CA GLY A 91 -3.420 9.820 -19.018 1.00 1.00 C ATOM 217 C GLY A 91 -2.324 9.194 -18.140 1.00 1.00 C ATOM 218 O GLY A 91 -2.285 7.970 -18.002 1.00 1.00 O ATOM 0 H GLY A 91 -3.894 11.837 -18.741 1.00 1.00 H new ATOM 0 HA2 GLY A 91 -4.387 9.662 -18.541 1.00 1.00 H new ATOM 0 HA3 GLY A 91 -3.447 9.297 -19.974 1.00 1.00 H new ATOM 222 N GLU A 92 -1.427 9.994 -17.551 1.00 1.00 N ATOM 223 CA GLU A 92 -0.411 9.533 -16.622 1.00 1.00 C ATOM 224 C GLU A 92 -0.995 9.348 -15.225 1.00 1.00 C ATOM 225 O GLU A 92 -1.983 9.965 -14.824 1.00 1.00 O ATOM 226 CB GLU A 92 0.769 10.514 -16.547 1.00 1.00 C ATOM 227 CG GLU A 92 1.714 10.366 -17.739 1.00 1.00 C ATOM 228 CD GLU A 92 2.733 9.222 -17.533 1.00 1.00 C ATOM 229 OE1 GLU A 92 2.334 8.031 -17.525 1.00 1.00 O ATOM 230 OE2 GLU A 92 3.946 9.506 -17.381 1.00 1.00 O ATOM 0 H GLU A 92 -1.394 11.000 -17.716 1.00 1.00 H new ATOM 0 HA GLU A 92 -0.050 8.575 -16.995 1.00 1.00 H new ATOM 0 HB2 GLU A 92 0.390 11.535 -16.510 1.00 1.00 H new ATOM 0 HB3 GLU A 92 1.322 10.346 -15.623 1.00 1.00 H new ATOM 0 HG2 GLU A 92 1.132 10.175 -18.641 1.00 1.00 H new ATOM 0 HG3 GLU A 92 2.248 11.303 -17.896 1.00 1.00 H new ATOM 237 N VAL A 93 -0.306 8.507 -14.472 1.00 1.00 N ATOM 238 CA VAL A 93 -0.600 8.127 -13.092 1.00 1.00 C ATOM 239 C VAL A 93 0.701 8.120 -12.279 1.00 1.00 C ATOM 240 O VAL A 93 1.799 7.926 -12.804 1.00 1.00 O ATOM 241 CB VAL A 93 -1.260 6.739 -13.057 1.00 1.00 C ATOM 242 CG1 VAL A 93 -1.797 6.326 -11.670 1.00 1.00 C ATOM 243 CG2 VAL A 93 -2.437 6.648 -14.043 1.00 1.00 C ATOM 0 H VAL A 93 0.528 8.039 -14.827 1.00 1.00 H new ATOM 0 HA VAL A 93 -1.291 8.848 -12.656 1.00 1.00 H new ATOM 0 HB VAL A 93 -0.454 6.060 -13.334 1.00 1.00 H new ATOM 0 HG11 VAL A 93 -2.246 5.335 -11.734 1.00 1.00 H new ATOM 0 HG12 VAL A 93 -0.976 6.307 -10.953 1.00 1.00 H new ATOM 0 HG13 VAL A 93 -2.548 7.044 -11.342 1.00 1.00 H new ATOM 0 HG21 VAL A 93 -2.879 5.653 -13.991 1.00 1.00 H new ATOM 0 HG22 VAL A 93 -3.189 7.393 -13.782 1.00 1.00 H new ATOM 0 HG23 VAL A 93 -2.079 6.833 -15.056 1.00 1.00 H new ATOM 253 N ILE A 94 0.551 8.305 -10.975 1.00 1.00 N ATOM 254 CA ILE A 94 1.596 8.303 -9.949 1.00 1.00 C ATOM 255 C ILE A 94 1.051 7.681 -8.663 1.00 1.00 C ATOM 256 O ILE A 94 -0.158 7.551 -8.483 1.00 1.00 O ATOM 257 CB ILE A 94 2.120 9.729 -9.601 1.00 1.00 C ATOM 258 CG1 ILE A 94 1.534 10.888 -10.434 1.00 1.00 C ATOM 259 CG2 ILE A 94 3.656 9.751 -9.655 1.00 1.00 C ATOM 260 CD1 ILE A 94 1.905 12.255 -9.854 1.00 1.00 C ATOM 0 H ILE A 94 -0.371 8.473 -10.572 1.00 1.00 H new ATOM 0 HA ILE A 94 2.425 7.727 -10.360 1.00 1.00 H new ATOM 0 HB ILE A 94 1.761 9.918 -8.589 1.00 1.00 H new ATOM 0 HG12 ILE A 94 1.898 10.818 -11.459 1.00 1.00 H new ATOM 0 HG13 ILE A 94 0.449 10.793 -10.474 1.00 1.00 H new ATOM 0 HG21 ILE A 94 4.014 10.751 -9.411 1.00 1.00 H new ATOM 0 HG22 ILE A 94 4.056 9.036 -8.935 1.00 1.00 H new ATOM 0 HG23 ILE A 94 3.989 9.481 -10.657 1.00 1.00 H new ATOM 0 HD11 ILE A 94 1.472 13.042 -10.471 1.00 1.00 H new ATOM 0 HD12 ILE A 94 1.518 12.336 -8.838 1.00 1.00 H new ATOM 0 HD13 ILE A 94 2.990 12.362 -9.839 1.00 1.00 H new ATOM 272 N GLU A 95 1.957 7.409 -7.735 1.00 1.00 N ATOM 273 CA GLU A 95 1.729 6.972 -6.358 1.00 1.00 C ATOM 274 C GLU A 95 2.827 7.545 -5.453 1.00 1.00 C ATOM 275 O GLU A 95 4.014 7.307 -5.687 1.00 1.00 O ATOM 276 CB GLU A 95 1.808 5.443 -6.285 1.00 1.00 C ATOM 277 CG GLU A 95 0.495 4.772 -6.678 1.00 1.00 C ATOM 278 CD GLU A 95 0.641 3.237 -6.690 1.00 1.00 C ATOM 279 OE1 GLU A 95 0.895 2.633 -5.620 1.00 1.00 O ATOM 280 OE2 GLU A 95 0.492 2.620 -7.773 1.00 1.00 O ATOM 0 H GLU A 95 2.953 7.494 -7.939 1.00 1.00 H new ATOM 0 HA GLU A 95 0.747 7.318 -6.035 1.00 1.00 H new ATOM 0 HB2 GLU A 95 2.603 5.091 -6.942 1.00 1.00 H new ATOM 0 HB3 GLU A 95 2.076 5.144 -5.272 1.00 1.00 H new ATOM 0 HG2 GLU A 95 -0.289 5.061 -5.978 1.00 1.00 H new ATOM 0 HG3 GLU A 95 0.186 5.119 -7.664 1.00 1.00 H new ATOM 287 N THR A 96 2.439 8.297 -4.423 1.00 1.00 N ATOM 288 CA THR A 96 3.371 8.927 -3.463 1.00 1.00 C ATOM 289 C THR A 96 2.742 8.965 -2.067 1.00 1.00 C ATOM 290 O THR A 96 1.519 8.950 -1.936 1.00 1.00 O ATOM 291 CB THR A 96 3.815 10.348 -3.907 1.00 1.00 C ATOM 292 OG1 THR A 96 3.083 11.357 -3.239 1.00 1.00 O ATOM 293 CG2 THR A 96 3.650 10.648 -5.407 1.00 1.00 C ATOM 0 H THR A 96 1.459 8.494 -4.222 1.00 1.00 H new ATOM 0 HA THR A 96 4.272 8.314 -3.435 1.00 1.00 H new ATOM 0 HB THR A 96 4.875 10.355 -3.655 1.00 1.00 H new ATOM 0 HG1 THR A 96 3.389 12.238 -3.541 1.00 1.00 H new ATOM 0 HG21 THR A 96 3.988 11.663 -5.614 1.00 1.00 H new ATOM 0 HG22 THR A 96 4.245 9.942 -5.987 1.00 1.00 H new ATOM 0 HG23 THR A 96 2.600 10.551 -5.684 1.00 1.00 H new ATOM 301 N LYS A 97 3.546 9.015 -1.002 1.00 1.00 N ATOM 302 CA LYS A 97 3.067 9.181 0.389 1.00 1.00 C ATOM 303 C LYS A 97 3.107 10.657 0.839 1.00 1.00 C ATOM 304 O LYS A 97 2.943 10.954 2.025 1.00 1.00 O ATOM 305 CB LYS A 97 3.909 8.295 1.324 1.00 1.00 C ATOM 306 CG LYS A 97 3.981 6.812 0.908 1.00 1.00 C ATOM 307 CD LYS A 97 5.055 6.044 1.695 1.00 1.00 C ATOM 308 CE LYS A 97 5.412 4.688 1.063 1.00 1.00 C ATOM 309 NZ LYS A 97 6.185 4.844 -0.208 1.00 1.00 N ATOM 0 H LYS A 97 4.561 8.941 -1.073 1.00 1.00 H new ATOM 0 HA LYS A 97 2.024 8.869 0.436 1.00 1.00 H new ATOM 0 HB2 LYS A 97 4.922 8.696 1.369 1.00 1.00 H new ATOM 0 HB3 LYS A 97 3.497 8.357 2.331 1.00 1.00 H new ATOM 0 HG2 LYS A 97 3.010 6.343 1.068 1.00 1.00 H new ATOM 0 HG3 LYS A 97 4.196 6.745 -0.159 1.00 1.00 H new ATOM 0 HD2 LYS A 97 5.955 6.655 1.761 1.00 1.00 H new ATOM 0 HD3 LYS A 97 4.704 5.882 2.714 1.00 1.00 H new ATOM 0 HE2 LYS A 97 5.996 4.101 1.772 1.00 1.00 H new ATOM 0 HE3 LYS A 97 4.497 4.130 0.864 1.00 1.00 H new ATOM 0 HZ1 LYS A 97 6.619 3.934 -0.464 1.00 1.00 H new ATOM 0 HZ2 LYS A 97 5.544 5.148 -0.969 1.00 1.00 H new ATOM 0 HZ3 LYS A 97 6.929 5.558 -0.076 1.00 1.00 H new ATOM 323 N GLY A 98 3.377 11.566 -0.104 1.00 1.00 N ATOM 324 CA GLY A 98 3.648 12.987 0.093 1.00 1.00 C ATOM 325 C GLY A 98 4.955 13.448 -0.566 1.00 1.00 C ATOM 326 O GLY A 98 5.546 12.746 -1.395 1.00 1.00 O ATOM 0 H GLY A 98 3.414 11.307 -1.090 1.00 1.00 H new ATOM 0 HA2 GLY A 98 2.819 13.568 -0.312 1.00 1.00 H new ATOM 0 HA3 GLY A 98 3.693 13.197 1.162 1.00 1.00 H new ATOM 330 N GLY A 99 5.404 14.634 -0.156 1.00 1.00 N ATOM 331 CA GLY A 99 6.709 15.200 -0.480 1.00 1.00 C ATOM 332 C GLY A 99 6.901 15.740 -1.905 1.00 1.00 C ATOM 333 O GLY A 99 6.101 15.536 -2.822 1.00 1.00 O ATOM 0 H GLY A 99 4.845 15.250 0.434 1.00 1.00 H new ATOM 0 HA2 GLY A 99 6.909 16.012 0.220 1.00 1.00 H new ATOM 0 HA3 GLY A 99 7.464 14.434 -0.304 1.00 1.00 H new ATOM 337 N ASN A 100 8.018 16.448 -2.069 1.00 1.00 N ATOM 338 CA ASN A 100 8.600 16.907 -3.326 1.00 1.00 C ATOM 339 C ASN A 100 8.853 15.681 -4.234 1.00 1.00 C ATOM 340 O ASN A 100 9.795 14.915 -4.022 1.00 1.00 O ATOM 341 CB ASN A 100 9.867 17.707 -2.944 1.00 1.00 C ATOM 342 CG ASN A 100 10.913 17.923 -4.026 1.00 1.00 C ATOM 343 OD1 ASN A 100 10.699 17.739 -5.217 1.00 1.00 O ATOM 344 ND2 ASN A 100 12.089 18.341 -3.608 1.00 1.00 N ATOM 0 H ASN A 100 8.579 16.736 -1.267 1.00 1.00 H new ATOM 0 HA ASN A 100 7.951 17.563 -3.906 1.00 1.00 H new ATOM 0 HB2 ASN A 100 9.551 18.685 -2.582 1.00 1.00 H new ATOM 0 HB3 ASN A 100 10.347 17.198 -2.109 1.00 1.00 H new ATOM 0 HD21 ASN A 100 12.836 18.516 -4.280 1.00 1.00 H new ATOM 0 HD22 ASN A 100 12.253 18.490 -2.612 1.00 1.00 H new ATOM 351 N HIS A 101 7.964 15.465 -5.218 1.00 1.00 N ATOM 352 CA HIS A 101 8.046 14.381 -6.211 1.00 1.00 C ATOM 353 C HIS A 101 7.864 14.955 -7.623 1.00 1.00 C ATOM 354 O HIS A 101 6.879 15.648 -7.876 1.00 1.00 O ATOM 355 CB HIS A 101 7.033 13.279 -5.834 1.00 1.00 C ATOM 356 CG HIS A 101 7.236 11.996 -6.607 1.00 1.00 C ATOM 357 ND1 HIS A 101 8.207 11.033 -6.376 1.00 1.00 N ATOM 358 CD2 HIS A 101 6.492 11.583 -7.679 1.00 1.00 C ATOM 359 CE1 HIS A 101 8.052 10.055 -7.291 1.00 1.00 C ATOM 360 NE2 HIS A 101 7.021 10.371 -8.099 1.00 1.00 N ATOM 0 H HIS A 101 7.144 16.058 -5.348 1.00 1.00 H new ATOM 0 HA HIS A 101 9.030 13.912 -6.210 1.00 1.00 H new ATOM 0 HB2 HIS A 101 7.113 13.070 -4.767 1.00 1.00 H new ATOM 0 HB3 HIS A 101 6.022 13.647 -6.012 1.00 1.00 H new ATOM 0 HD1 HIS A 101 8.915 11.060 -5.642 1.00 1.00 H new ATOM 0 HD2 HIS A 101 5.652 12.102 -8.116 1.00 1.00 H new ATOM 0 HE1 HIS A 101 8.656 9.163 -7.364 1.00 1.00 H new ATOM 369 N LYS A 102 8.779 14.644 -8.550 1.00 1.00 N ATOM 370 CA LYS A 102 8.903 15.284 -9.880 1.00 1.00 C ATOM 371 C LYS A 102 7.597 15.456 -10.667 1.00 1.00 C ATOM 372 O LYS A 102 7.137 16.582 -10.812 1.00 1.00 O ATOM 373 CB LYS A 102 10.016 14.573 -10.672 1.00 1.00 C ATOM 374 CG LYS A 102 10.484 15.434 -11.849 1.00 1.00 C ATOM 375 CD LYS A 102 11.816 14.914 -12.410 1.00 1.00 C ATOM 376 CE LYS A 102 12.600 16.106 -12.958 1.00 1.00 C ATOM 377 NZ LYS A 102 14.008 15.738 -13.263 1.00 1.00 N ATOM 0 H LYS A 102 9.479 13.918 -8.397 1.00 1.00 H new ATOM 0 HA LYS A 102 9.185 16.323 -9.708 1.00 1.00 H new ATOM 0 HB2 LYS A 102 10.858 14.361 -10.013 1.00 1.00 H new ATOM 0 HB3 LYS A 102 9.651 13.614 -11.040 1.00 1.00 H new ATOM 0 HG2 LYS A 102 9.727 15.428 -12.633 1.00 1.00 H new ATOM 0 HG3 LYS A 102 10.600 16.468 -11.525 1.00 1.00 H new ATOM 0 HD2 LYS A 102 12.386 14.410 -11.630 1.00 1.00 H new ATOM 0 HD3 LYS A 102 11.637 14.182 -13.198 1.00 1.00 H new ATOM 0 HE2 LYS A 102 12.116 16.477 -13.861 1.00 1.00 H new ATOM 0 HE3 LYS A 102 12.584 16.918 -12.231 1.00 1.00 H new ATOM 0 HZ1 LYS A 102 14.566 16.601 -13.420 1.00 1.00 H new ATOM 0 HZ2 LYS A 102 14.409 15.207 -12.464 1.00 1.00 H new ATOM 0 HZ3 LYS A 102 14.035 15.148 -14.119 1.00 1.00 H new ATOM 391 N THR A 103 6.945 14.371 -11.091 1.00 1.00 N ATOM 392 CA THR A 103 5.700 14.438 -11.898 1.00 1.00 C ATOM 393 C THR A 103 4.577 15.182 -11.169 1.00 1.00 C ATOM 394 O THR A 103 3.898 16.027 -11.754 1.00 1.00 O ATOM 395 CB THR A 103 5.216 13.037 -12.308 1.00 1.00 C ATOM 396 OG1 THR A 103 6.269 12.340 -12.944 1.00 1.00 O ATOM 397 CG2 THR A 103 4.036 13.132 -13.276 1.00 1.00 C ATOM 0 H THR A 103 7.254 13.420 -10.892 1.00 1.00 H new ATOM 0 HA THR A 103 5.951 15.000 -12.798 1.00 1.00 H new ATOM 0 HB THR A 103 4.899 12.508 -11.409 1.00 1.00 H new ATOM 0 HG1 THR A 103 5.960 11.447 -13.203 1.00 1.00 H new ATOM 0 HG21 THR A 103 3.710 12.129 -13.552 1.00 1.00 H new ATOM 0 HG22 THR A 103 3.213 13.661 -12.796 1.00 1.00 H new ATOM 0 HG23 THR A 103 4.342 13.674 -14.171 1.00 1.00 H new ATOM 405 N LEU A 104 4.431 14.922 -9.865 1.00 1.00 N ATOM 406 CA LEU A 104 3.433 15.567 -9.004 1.00 1.00 C ATOM 407 C LEU A 104 3.624 17.096 -8.962 1.00 1.00 C ATOM 408 O LEU A 104 2.650 17.844 -9.030 1.00 1.00 O ATOM 409 CB LEU A 104 3.522 14.902 -7.614 1.00 1.00 C ATOM 410 CG LEU A 104 2.472 15.338 -6.579 1.00 1.00 C ATOM 411 CD1 LEU A 104 1.053 15.041 -7.056 1.00 1.00 C ATOM 412 CD2 LEU A 104 2.694 14.578 -5.272 1.00 1.00 C ATOM 0 H LEU A 104 5.013 14.246 -9.370 1.00 1.00 H new ATOM 0 HA LEU A 104 2.428 15.425 -9.402 1.00 1.00 H new ATOM 0 HB2 LEU A 104 3.444 13.823 -7.746 1.00 1.00 H new ATOM 0 HB3 LEU A 104 4.511 15.102 -7.202 1.00 1.00 H new ATOM 0 HG LEU A 104 2.584 16.413 -6.435 1.00 1.00 H new ATOM 0 HD11 LEU A 104 0.339 15.363 -6.298 1.00 1.00 H new ATOM 0 HD12 LEU A 104 0.862 15.577 -7.985 1.00 1.00 H new ATOM 0 HD13 LEU A 104 0.943 13.970 -7.226 1.00 1.00 H new ATOM 0 HD21 LEU A 104 1.949 14.888 -4.540 1.00 1.00 H new ATOM 0 HD22 LEU A 104 2.601 13.507 -5.453 1.00 1.00 H new ATOM 0 HD23 LEU A 104 3.691 14.796 -4.890 1.00 1.00 H new ATOM 424 N LYS A 105 4.881 17.567 -8.935 1.00 1.00 N ATOM 425 CA LYS A 105 5.219 18.999 -9.007 1.00 1.00 C ATOM 426 C LYS A 105 4.920 19.615 -10.375 1.00 1.00 C ATOM 427 O LYS A 105 4.516 20.774 -10.425 1.00 1.00 O ATOM 428 CB LYS A 105 6.696 19.218 -8.620 1.00 1.00 C ATOM 429 CG LYS A 105 6.997 19.062 -7.116 1.00 1.00 C ATOM 430 CD LYS A 105 6.299 20.070 -6.180 1.00 1.00 C ATOM 431 CE LYS A 105 6.498 21.533 -6.623 1.00 1.00 C ATOM 432 NZ LYS A 105 5.941 22.488 -5.625 1.00 1.00 N ATOM 0 H LYS A 105 5.698 16.961 -8.862 1.00 1.00 H new ATOM 0 HA LYS A 105 4.578 19.514 -8.291 1.00 1.00 H new ATOM 0 HB2 LYS A 105 7.312 18.511 -9.175 1.00 1.00 H new ATOM 0 HB3 LYS A 105 6.996 20.217 -8.935 1.00 1.00 H new ATOM 0 HG2 LYS A 105 6.712 18.055 -6.811 1.00 1.00 H new ATOM 0 HG3 LYS A 105 8.074 19.146 -6.970 1.00 1.00 H new ATOM 0 HD2 LYS A 105 5.232 19.848 -6.145 1.00 1.00 H new ATOM 0 HD3 LYS A 105 6.684 19.946 -5.168 1.00 1.00 H new ATOM 0 HE2 LYS A 105 7.561 21.730 -6.763 1.00 1.00 H new ATOM 0 HE3 LYS A 105 6.015 21.691 -7.587 1.00 1.00 H new ATOM 0 HZ1 LYS A 105 5.748 23.399 -6.087 1.00 1.00 H new ATOM 0 HZ2 LYS A 105 5.057 22.104 -5.233 1.00 1.00 H new ATOM 0 HZ3 LYS A 105 6.628 22.628 -4.857 1.00 1.00 H new ATOM 446 N GLU A 106 5.033 18.867 -11.474 1.00 1.00 N ATOM 447 CA GLU A 106 4.692 19.389 -12.804 1.00 1.00 C ATOM 448 C GLU A 106 3.196 19.624 -12.927 1.00 1.00 C ATOM 449 O GLU A 106 2.754 20.654 -13.417 1.00 1.00 O ATOM 450 CB GLU A 106 5.087 18.446 -13.943 1.00 1.00 C ATOM 451 CG GLU A 106 6.506 17.927 -13.820 1.00 1.00 C ATOM 452 CD GLU A 106 6.988 17.299 -15.140 1.00 1.00 C ATOM 453 OE1 GLU A 106 6.789 16.077 -15.353 1.00 1.00 O ATOM 454 OE2 GLU A 106 7.577 18.025 -15.980 1.00 1.00 O ATOM 0 H GLU A 106 5.357 17.900 -11.472 1.00 1.00 H new ATOM 0 HA GLU A 106 5.254 20.318 -12.895 1.00 1.00 H new ATOM 0 HB2 GLU A 106 4.398 17.602 -13.963 1.00 1.00 H new ATOM 0 HB3 GLU A 106 4.979 18.968 -14.893 1.00 1.00 H new ATOM 0 HG2 GLU A 106 7.171 18.744 -13.539 1.00 1.00 H new ATOM 0 HG3 GLU A 106 6.557 17.186 -13.022 1.00 1.00 H new ATOM 461 N TRP A 107 2.404 18.676 -12.434 1.00 1.00 N ATOM 462 CA TRP A 107 0.942 18.799 -12.459 1.00 1.00 C ATOM 463 C TRP A 107 0.437 19.992 -11.629 1.00 1.00 C ATOM 464 O TRP A 107 -0.487 20.696 -12.045 1.00 1.00 O ATOM 465 CB TRP A 107 0.295 17.491 -12.002 1.00 1.00 C ATOM 466 CG TRP A 107 0.557 16.252 -12.806 1.00 1.00 C ATOM 467 CD1 TRP A 107 1.373 16.119 -13.880 1.00 1.00 C ATOM 468 CD2 TRP A 107 -0.002 14.924 -12.575 1.00 1.00 C ATOM 469 NE1 TRP A 107 1.377 14.805 -14.303 1.00 1.00 N ATOM 470 CE2 TRP A 107 0.585 14.019 -13.503 1.00 1.00 C ATOM 471 CE3 TRP A 107 -0.952 14.392 -11.677 1.00 1.00 C ATOM 472 CZ2 TRP A 107 0.308 12.650 -13.503 1.00 1.00 C ATOM 473 CZ3 TRP A 107 -1.290 13.025 -11.712 1.00 1.00 C ATOM 474 CH2 TRP A 107 -0.648 12.153 -12.611 1.00 1.00 C ATOM 0 H TRP A 107 2.746 17.813 -12.012 1.00 1.00 H new ATOM 0 HA TRP A 107 0.647 18.996 -13.490 1.00 1.00 H new ATOM 0 HB2 TRP A 107 0.619 17.299 -10.979 1.00 1.00 H new ATOM 0 HB3 TRP A 107 -0.783 17.646 -11.971 1.00 1.00 H new ATOM 0 HD1 TRP A 107 1.935 16.920 -14.336 1.00 1.00 H new ATOM 0 HE1 TRP A 107 1.902 14.462 -15.108 1.00 1.00 H new ATOM 0 HE3 TRP A 107 -1.425 15.041 -10.955 1.00 1.00 H new ATOM 0 HZ2 TRP A 107 0.824 11.986 -14.181 1.00 1.00 H new ATOM 0 HZ3 TRP A 107 -2.048 12.643 -11.044 1.00 1.00 H new ATOM 0 HH2 TRP A 107 -0.893 11.101 -12.612 1.00 1.00 H new ATOM 485 N LYS A 108 1.086 20.290 -10.495 1.00 1.00 N ATOM 486 CA LYS A 108 0.803 21.517 -9.726 1.00 1.00 C ATOM 487 C LYS A 108 1.170 22.789 -10.499 1.00 1.00 C ATOM 488 O LYS A 108 0.455 23.783 -10.400 1.00 1.00 O ATOM 489 CB LYS A 108 1.569 21.519 -8.400 1.00 1.00 C ATOM 490 CG LYS A 108 1.020 20.466 -7.444 1.00 1.00 C ATOM 491 CD LYS A 108 1.695 20.622 -6.083 1.00 1.00 C ATOM 492 CE LYS A 108 1.252 19.477 -5.174 1.00 1.00 C ATOM 493 NZ LYS A 108 1.747 19.683 -3.796 1.00 1.00 N ATOM 0 H LYS A 108 1.811 19.700 -10.087 1.00 1.00 H new ATOM 0 HA LYS A 108 -0.271 21.518 -9.542 1.00 1.00 H new ATOM 0 HB2 LYS A 108 2.626 21.328 -8.587 1.00 1.00 H new ATOM 0 HB3 LYS A 108 1.500 22.504 -7.939 1.00 1.00 H new ATOM 0 HG2 LYS A 108 -0.060 20.577 -7.343 1.00 1.00 H new ATOM 0 HG3 LYS A 108 1.202 19.467 -7.841 1.00 1.00 H new ATOM 0 HD2 LYS A 108 2.779 20.614 -6.197 1.00 1.00 H new ATOM 0 HD3 LYS A 108 1.428 21.581 -5.638 1.00 1.00 H new ATOM 0 HE2 LYS A 108 0.164 19.410 -5.169 1.00 1.00 H new ATOM 0 HE3 LYS A 108 1.628 18.531 -5.563 1.00 1.00 H new ATOM 0 HZ1 LYS A 108 2.046 18.771 -3.395 1.00 1.00 H new ATOM 0 HZ2 LYS A 108 2.556 20.337 -3.812 1.00 1.00 H new ATOM 0 HZ3 LYS A 108 0.988 20.086 -3.211 1.00 1.00 H new ATOM 507 N ALA A 109 2.255 22.758 -11.279 1.00 1.00 N ATOM 508 CA ALA A 109 2.669 23.875 -12.119 1.00 1.00 C ATOM 509 C ALA A 109 1.655 24.119 -13.245 1.00 1.00 C ATOM 510 O ALA A 109 1.221 25.248 -13.491 1.00 1.00 O ATOM 511 CB ALA A 109 4.047 23.565 -12.726 1.00 1.00 C ATOM 0 H ALA A 109 2.872 21.948 -11.342 1.00 1.00 H new ATOM 0 HA ALA A 109 2.723 24.774 -11.505 1.00 1.00 H new ATOM 0 HB1 ALA A 109 4.363 24.397 -13.356 1.00 1.00 H new ATOM 0 HB2 ALA A 109 4.773 23.420 -11.926 1.00 1.00 H new ATOM 0 HB3 ALA A 109 3.984 22.658 -13.327 1.00 1.00 H new ATOM 517 N LYS A 110 1.294 23.026 -13.927 1.00 1.00 N ATOM 518 CA LYS A 110 0.500 23.013 -15.140 1.00 1.00 C ATOM 519 C LYS A 110 -0.968 23.407 -14.913 1.00 1.00 C ATOM 520 O LYS A 110 -1.533 24.114 -15.751 1.00 1.00 O ATOM 521 CB LYS A 110 0.589 21.631 -15.801 1.00 1.00 C ATOM 522 CG LYS A 110 1.867 21.381 -16.617 1.00 1.00 C ATOM 523 CD LYS A 110 1.710 20.023 -17.323 1.00 1.00 C ATOM 524 CE LYS A 110 2.939 19.510 -18.075 1.00 1.00 C ATOM 525 NZ LYS A 110 3.310 20.373 -19.237 1.00 1.00 N ATOM 0 H LYS A 110 1.564 22.089 -13.627 1.00 1.00 H new ATOM 0 HA LYS A 110 0.918 23.772 -15.801 1.00 1.00 H new ATOM 0 HB2 LYS A 110 0.517 20.869 -15.025 1.00 1.00 H new ATOM 0 HB3 LYS A 110 -0.273 21.502 -16.456 1.00 1.00 H new ATOM 0 HG2 LYS A 110 2.017 22.177 -17.347 1.00 1.00 H new ATOM 0 HG3 LYS A 110 2.742 21.376 -15.967 1.00 1.00 H new ATOM 0 HD2 LYS A 110 1.429 19.279 -16.578 1.00 1.00 H new ATOM 0 HD3 LYS A 110 0.882 20.097 -18.028 1.00 1.00 H new ATOM 0 HE2 LYS A 110 3.782 19.453 -17.387 1.00 1.00 H new ATOM 0 HE3 LYS A 110 2.746 18.497 -18.428 1.00 1.00 H new ATOM 0 HZ1 LYS A 110 4.148 19.978 -19.709 1.00 1.00 H new ATOM 0 HZ2 LYS A 110 2.518 20.408 -19.910 1.00 1.00 H new ATOM 0 HZ3 LYS A 110 3.522 21.334 -18.902 1.00 1.00 H new ATOM 539 N TRP A 111 -1.562 22.990 -13.784 1.00 1.00 N ATOM 540 CA TRP A 111 -2.988 23.218 -13.470 1.00 1.00 C ATOM 541 C TRP A 111 -3.232 23.719 -12.036 1.00 1.00 C ATOM 542 O TRP A 111 -3.825 24.787 -11.869 1.00 1.00 O ATOM 543 CB TRP A 111 -3.802 21.943 -13.754 1.00 1.00 C ATOM 544 CG TRP A 111 -3.661 21.393 -15.145 1.00 1.00 C ATOM 545 CD1 TRP A 111 -4.304 21.841 -16.248 1.00 1.00 C ATOM 546 CD2 TRP A 111 -2.771 20.337 -15.610 1.00 1.00 C ATOM 547 NE1 TRP A 111 -3.857 21.150 -17.361 1.00 1.00 N ATOM 548 CE2 TRP A 111 -2.890 20.226 -17.026 1.00 1.00 C ATOM 549 CE3 TRP A 111 -1.841 19.490 -14.976 1.00 1.00 C ATOM 550 CZ2 TRP A 111 -2.113 19.327 -17.774 1.00 1.00 C ATOM 551 CZ3 TRP A 111 -1.047 18.599 -15.718 1.00 1.00 C ATOM 552 CH2 TRP A 111 -1.189 18.503 -17.113 1.00 1.00 C ATOM 0 H TRP A 111 -1.064 22.480 -13.054 1.00 1.00 H new ATOM 0 HA TRP A 111 -3.327 24.021 -14.124 1.00 1.00 H new ATOM 0 HB2 TRP A 111 -3.501 21.173 -13.043 1.00 1.00 H new ATOM 0 HB3 TRP A 111 -4.855 22.154 -13.569 1.00 1.00 H new ATOM 0 HD1 TRP A 111 -5.052 22.620 -16.258 1.00 1.00 H new ATOM 0 HE1 TRP A 111 -4.200 21.305 -18.309 1.00 1.00 H new ATOM 0 HE3 TRP A 111 -1.736 19.526 -13.902 1.00 1.00 H new ATOM 0 HZ2 TRP A 111 -2.225 19.270 -18.847 1.00 1.00 H new ATOM 0 HZ3 TRP A 111 -0.320 17.982 -15.211 1.00 1.00 H new ATOM 0 HH2 TRP A 111 -0.591 17.799 -17.673 1.00 1.00 H new ATOM 563 N GLY A 112 -2.766 22.997 -11.005 1.00 1.00 N ATOM 564 CA GLY A 112 -2.804 23.464 -9.604 1.00 1.00 C ATOM 565 C GLY A 112 -2.932 22.350 -8.553 1.00 1.00 C ATOM 566 O GLY A 112 -3.459 21.280 -8.853 1.00 1.00 O ATOM 0 H GLY A 112 -2.351 22.072 -11.116 1.00 1.00 H new ATOM 0 HA2 GLY A 112 -1.896 24.032 -9.401 1.00 1.00 H new ATOM 0 HA3 GLY A 112 -3.642 24.151 -9.488 1.00 1.00 H new ATOM 570 N PRO A 113 -2.511 22.586 -7.294 1.00 1.00 N ATOM 571 CA PRO A 113 -2.569 21.578 -6.228 1.00 1.00 C ATOM 572 C PRO A 113 -3.993 21.132 -5.861 1.00 1.00 C ATOM 573 O PRO A 113 -4.203 19.970 -5.521 1.00 1.00 O ATOM 574 CB PRO A 113 -1.837 22.193 -5.031 1.00 1.00 C ATOM 575 CG PRO A 113 -1.886 23.697 -5.287 1.00 1.00 C ATOM 576 CD PRO A 113 -1.886 23.810 -6.807 1.00 1.00 C ATOM 0 HA PRO A 113 -2.096 20.657 -6.568 1.00 1.00 H new ATOM 0 HB2 PRO A 113 -2.325 21.934 -4.091 1.00 1.00 H new ATOM 0 HB3 PRO A 113 -0.810 21.834 -4.966 1.00 1.00 H new ATOM 0 HG2 PRO A 113 -2.779 24.147 -4.853 1.00 1.00 H new ATOM 0 HG3 PRO A 113 -1.027 24.205 -4.849 1.00 1.00 H new ATOM 0 HD2 PRO A 113 -2.440 24.690 -7.134 1.00 1.00 H new ATOM 0 HD3 PRO A 113 -0.871 23.911 -7.192 1.00 1.00 H new ATOM 584 N GLU A 114 -4.984 22.019 -5.991 1.00 1.00 N ATOM 585 CA GLU A 114 -6.400 21.710 -5.735 1.00 1.00 C ATOM 586 C GLU A 114 -6.914 20.636 -6.696 1.00 1.00 C ATOM 587 O GLU A 114 -7.550 19.659 -6.303 1.00 1.00 O ATOM 588 CB GLU A 114 -7.256 22.966 -5.941 1.00 1.00 C ATOM 589 CG GLU A 114 -6.698 24.220 -5.270 1.00 1.00 C ATOM 590 CD GLU A 114 -7.715 25.376 -5.312 1.00 1.00 C ATOM 591 OE1 GLU A 114 -7.739 26.136 -6.312 1.00 1.00 O ATOM 592 OE2 GLU A 114 -8.498 25.540 -4.344 1.00 1.00 O ATOM 0 H GLU A 114 -4.827 22.984 -6.280 1.00 1.00 H new ATOM 0 HA GLU A 114 -6.475 21.352 -4.708 1.00 1.00 H new ATOM 0 HB2 GLU A 114 -7.355 23.153 -7.010 1.00 1.00 H new ATOM 0 HB3 GLU A 114 -8.258 22.777 -5.556 1.00 1.00 H new ATOM 0 HG2 GLU A 114 -6.440 23.997 -4.235 1.00 1.00 H new ATOM 0 HG3 GLU A 114 -5.778 24.524 -5.769 1.00 1.00 H new ATOM 599 N ALA A 115 -6.580 20.833 -7.971 1.00 1.00 N ATOM 600 CA ALA A 115 -6.882 19.921 -9.065 1.00 1.00 C ATOM 601 C ALA A 115 -6.248 18.556 -8.797 1.00 1.00 C ATOM 602 O ALA A 115 -6.912 17.523 -8.773 1.00 1.00 O ATOM 603 CB ALA A 115 -6.327 20.521 -10.362 1.00 1.00 C ATOM 0 H ALA A 115 -6.073 21.663 -8.278 1.00 1.00 H new ATOM 0 HA ALA A 115 -7.960 19.784 -9.153 1.00 1.00 H new ATOM 0 HB1 ALA A 115 -6.544 19.851 -11.194 1.00 1.00 H new ATOM 0 HB2 ALA A 115 -6.794 21.489 -10.544 1.00 1.00 H new ATOM 0 HB3 ALA A 115 -5.248 20.650 -10.271 1.00 1.00 H new ATOM 609 N VAL A 116 -4.945 18.596 -8.528 1.00 1.00 N ATOM 610 CA VAL A 116 -4.083 17.446 -8.327 1.00 1.00 C ATOM 611 C VAL A 116 -4.579 16.561 -7.179 1.00 1.00 C ATOM 612 O VAL A 116 -4.738 15.354 -7.357 1.00 1.00 O ATOM 613 CB VAL A 116 -2.650 17.956 -8.118 1.00 1.00 C ATOM 614 CG1 VAL A 116 -1.671 16.928 -7.558 1.00 1.00 C ATOM 615 CG2 VAL A 116 -2.111 18.463 -9.462 1.00 1.00 C ATOM 0 H VAL A 116 -4.442 19.479 -8.441 1.00 1.00 H new ATOM 0 HA VAL A 116 -4.101 16.802 -9.206 1.00 1.00 H new ATOM 0 HB VAL A 116 -2.719 18.743 -7.367 1.00 1.00 H new ATOM 0 HG11 VAL A 116 -0.688 17.385 -7.447 1.00 1.00 H new ATOM 0 HG12 VAL A 116 -2.023 16.583 -6.586 1.00 1.00 H new ATOM 0 HG13 VAL A 116 -1.603 16.081 -8.241 1.00 1.00 H new ATOM 0 HG21 VAL A 116 -1.093 18.829 -9.331 1.00 1.00 H new ATOM 0 HG22 VAL A 116 -2.113 17.648 -10.186 1.00 1.00 H new ATOM 0 HG23 VAL A 116 -2.744 19.273 -9.826 1.00 1.00 H new ATOM 625 N GLU A 117 -4.912 17.158 -6.032 1.00 1.00 N ATOM 626 CA GLU A 117 -5.520 16.456 -4.896 1.00 1.00 C ATOM 627 C GLU A 117 -6.918 15.910 -5.229 1.00 1.00 C ATOM 628 O GLU A 117 -7.273 14.812 -4.793 1.00 1.00 O ATOM 629 CB GLU A 117 -5.675 17.435 -3.720 1.00 1.00 C ATOM 630 CG GLU A 117 -4.383 17.682 -2.943 1.00 1.00 C ATOM 631 CD GLU A 117 -4.208 16.601 -1.850 1.00 1.00 C ATOM 632 OE1 GLU A 117 -4.048 15.402 -2.181 1.00 1.00 O ATOM 633 OE2 GLU A 117 -4.321 16.914 -0.640 1.00 1.00 O ATOM 0 H GLU A 117 -4.766 18.153 -5.863 1.00 1.00 H new ATOM 0 HA GLU A 117 -4.865 15.621 -4.647 1.00 1.00 H new ATOM 0 HB2 GLU A 117 -6.046 18.387 -4.100 1.00 1.00 H new ATOM 0 HB3 GLU A 117 -6.430 17.048 -3.036 1.00 1.00 H new ATOM 0 HG2 GLU A 117 -3.531 17.665 -3.623 1.00 1.00 H new ATOM 0 HG3 GLU A 117 -4.407 18.672 -2.487 1.00 1.00 H new ATOM 640 N SER A 118 -7.714 16.653 -6.006 1.00 1.00 N ATOM 641 CA SER A 118 -9.084 16.250 -6.370 1.00 1.00 C ATOM 642 C SER A 118 -9.106 15.001 -7.256 1.00 1.00 C ATOM 643 O SER A 118 -10.045 14.204 -7.179 1.00 1.00 O ATOM 644 CB SER A 118 -9.848 17.382 -7.071 1.00 1.00 C ATOM 645 OG SER A 118 -9.987 18.503 -6.216 1.00 1.00 O ATOM 0 H SER A 118 -7.431 17.550 -6.401 1.00 1.00 H new ATOM 0 HA SER A 118 -9.582 16.017 -5.429 1.00 1.00 H new ATOM 0 HB2 SER A 118 -9.320 17.675 -7.978 1.00 1.00 H new ATOM 0 HB3 SER A 118 -10.833 17.027 -7.375 1.00 1.00 H new ATOM 0 HG SER A 118 -9.223 19.104 -6.338 1.00 1.00 H new ATOM 651 N TRP A 119 -8.062 14.795 -8.061 1.00 1.00 N ATOM 652 CA TRP A 119 -7.871 13.585 -8.863 1.00 1.00 C ATOM 653 C TRP A 119 -7.328 12.379 -8.065 1.00 1.00 C ATOM 654 O TRP A 119 -7.199 11.295 -8.642 1.00 1.00 O ATOM 655 CB TRP A 119 -6.909 13.872 -10.025 1.00 1.00 C ATOM 656 CG TRP A 119 -7.129 15.087 -10.881 1.00 1.00 C ATOM 657 CD1 TRP A 119 -8.313 15.685 -11.155 1.00 1.00 C ATOM 658 CD2 TRP A 119 -6.119 15.862 -11.603 1.00 1.00 C ATOM 659 NE1 TRP A 119 -8.102 16.790 -11.960 1.00 1.00 N ATOM 660 CE2 TRP A 119 -6.768 16.947 -12.266 1.00 1.00 C ATOM 661 CE3 TRP A 119 -4.719 15.752 -11.778 1.00 1.00 C ATOM 662 CZ2 TRP A 119 -6.066 17.885 -13.034 1.00 1.00 C ATOM 663 CZ3 TRP A 119 -4.004 16.681 -12.560 1.00 1.00 C ATOM 664 CH2 TRP A 119 -4.673 17.750 -13.179 1.00 1.00 C ATOM 0 H TRP A 119 -7.312 15.477 -8.176 1.00 1.00 H new ATOM 0 HA TRP A 119 -8.863 13.313 -9.223 1.00 1.00 H new ATOM 0 HB2 TRP A 119 -5.904 13.943 -9.608 1.00 1.00 H new ATOM 0 HB3 TRP A 119 -6.921 13.002 -10.682 1.00 1.00 H new ATOM 0 HD1 TRP A 119 -9.276 15.350 -10.799 1.00 1.00 H new ATOM 0 HE1 TRP A 119 -8.842 17.411 -12.286 1.00 1.00 H new ATOM 0 HE3 TRP A 119 -4.188 14.940 -11.303 1.00 1.00 H new ATOM 0 HZ2 TRP A 119 -6.588 18.702 -13.509 1.00 1.00 H new ATOM 0 HZ3 TRP A 119 -2.937 16.571 -12.684 1.00 1.00 H new ATOM 0 HH2 TRP A 119 -4.119 18.468 -13.766 1.00 1.00 H new ATOM 675 N ALA A 120 -6.958 12.532 -6.784 1.00 1.00 N ATOM 676 CA ALA A 120 -6.322 11.472 -6.021 1.00 1.00 C ATOM 677 C ALA A 120 -7.253 10.307 -5.643 1.00 1.00 C ATOM 678 O ALA A 120 -8.485 10.352 -5.718 1.00 1.00 O ATOM 679 CB ALA A 120 -5.622 12.022 -4.770 1.00 1.00 C ATOM 0 H ALA A 120 -7.095 13.395 -6.258 1.00 1.00 H new ATOM 0 HA ALA A 120 -5.578 11.053 -6.699 1.00 1.00 H new ATOM 0 HB1 ALA A 120 -5.157 11.202 -4.223 1.00 1.00 H new ATOM 0 HB2 ALA A 120 -4.857 12.740 -5.067 1.00 1.00 H new ATOM 0 HB3 ALA A 120 -6.354 12.515 -4.131 1.00 1.00 H new ATOM 685 N THR A 121 -6.573 9.280 -5.159 1.00 1.00 N ATOM 686 CA THR A 121 -7.047 7.957 -4.748 1.00 1.00 C ATOM 687 C THR A 121 -6.221 7.508 -3.551 1.00 1.00 C ATOM 688 O THR A 121 -5.006 7.676 -3.548 1.00 1.00 O ATOM 689 CB THR A 121 -6.810 6.962 -5.887 1.00 1.00 C ATOM 690 OG1 THR A 121 -7.447 7.373 -7.085 1.00 1.00 O ATOM 691 CG2 THR A 121 -7.343 5.580 -5.520 1.00 1.00 C ATOM 0 H THR A 121 -5.564 9.356 -5.028 1.00 1.00 H new ATOM 0 HA THR A 121 -8.108 8.000 -4.501 1.00 1.00 H new ATOM 0 HB THR A 121 -5.732 6.923 -6.045 1.00 1.00 H new ATOM 0 HG1 THR A 121 -7.273 6.715 -7.790 1.00 1.00 H new ATOM 0 HG21 THR A 121 -7.163 4.890 -6.344 1.00 1.00 H new ATOM 0 HG22 THR A 121 -6.833 5.219 -4.627 1.00 1.00 H new ATOM 0 HG23 THR A 121 -8.414 5.643 -5.326 1.00 1.00 H new ATOM 699 N LEU A 122 -6.855 6.907 -2.551 1.00 1.00 N ATOM 700 CA LEU A 122 -6.213 6.467 -1.311 1.00 1.00 C ATOM 701 C LEU A 122 -5.866 4.976 -1.406 1.00 1.00 C ATOM 702 O LEU A 122 -6.732 4.145 -1.678 1.00 1.00 O ATOM 703 CB LEU A 122 -7.179 6.763 -0.149 1.00 1.00 C ATOM 704 CG LEU A 122 -6.776 6.140 1.204 1.00 1.00 C ATOM 705 CD1 LEU A 122 -5.409 6.612 1.710 1.00 1.00 C ATOM 706 CD2 LEU A 122 -7.822 6.484 2.261 1.00 1.00 C ATOM 0 H LEU A 122 -7.855 6.706 -2.577 1.00 1.00 H new ATOM 0 HA LEU A 122 -5.278 7.001 -1.139 1.00 1.00 H new ATOM 0 HB2 LEU A 122 -7.257 7.843 -0.026 1.00 1.00 H new ATOM 0 HB3 LEU A 122 -8.171 6.400 -0.419 1.00 1.00 H new ATOM 0 HG LEU A 122 -6.714 5.065 1.037 1.00 1.00 H new ATOM 0 HD11 LEU A 122 -5.190 6.134 2.665 1.00 1.00 H new ATOM 0 HD12 LEU A 122 -4.640 6.344 0.985 1.00 1.00 H new ATOM 0 HD13 LEU A 122 -5.423 7.694 1.840 1.00 1.00 H new ATOM 0 HD21 LEU A 122 -7.534 6.042 3.215 1.00 1.00 H new ATOM 0 HD22 LEU A 122 -7.889 7.567 2.368 1.00 1.00 H new ATOM 0 HD23 LEU A 122 -8.791 6.089 1.956 1.00 1.00 H new ATOM 718 N LEU A 123 -4.597 4.657 -1.157 1.00 1.00 N ATOM 719 CA LEU A 123 -4.019 3.320 -1.235 1.00 1.00 C ATOM 720 C LEU A 123 -3.334 2.942 0.083 1.00 1.00 C ATOM 721 O LEU A 123 -2.415 3.610 0.558 1.00 1.00 O ATOM 722 CB LEU A 123 -3.039 3.276 -2.423 1.00 1.00 C ATOM 723 CG LEU A 123 -3.686 3.579 -3.785 1.00 1.00 C ATOM 724 CD1 LEU A 123 -2.602 3.509 -4.851 1.00 1.00 C ATOM 725 CD2 LEU A 123 -4.772 2.571 -4.165 1.00 1.00 C ATOM 0 H LEU A 123 -3.911 5.360 -0.882 1.00 1.00 H new ATOM 0 HA LEU A 123 -4.807 2.584 -1.398 1.00 1.00 H new ATOM 0 HB2 LEU A 123 -2.238 3.994 -2.246 1.00 1.00 H new ATOM 0 HB3 LEU A 123 -2.579 2.289 -2.464 1.00 1.00 H new ATOM 0 HG LEU A 123 -4.148 4.564 -3.716 1.00 1.00 H new ATOM 0 HD11 LEU A 123 -3.038 3.721 -5.827 1.00 1.00 H new ATOM 0 HD12 LEU A 123 -1.828 4.245 -4.632 1.00 1.00 H new ATOM 0 HD13 LEU A 123 -2.163 2.511 -4.858 1.00 1.00 H new ATOM 0 HD21 LEU A 123 -5.192 2.837 -5.135 1.00 1.00 H new ATOM 0 HD22 LEU A 123 -4.339 1.572 -4.218 1.00 1.00 H new ATOM 0 HD23 LEU A 123 -5.561 2.585 -3.413 1.00 1.00 H new ATOM 737 N GLY A 124 -3.793 1.833 0.661 1.00 1.00 N ATOM 738 CA GLY A 124 -3.280 1.303 1.935 1.00 1.00 C ATOM 739 C GLY A 124 -1.815 0.840 1.883 1.00 1.00 C ATOM 740 O GLY A 124 -1.101 0.967 2.881 1.00 1.00 O ATOM 0 H GLY A 124 -4.540 1.267 0.258 1.00 1.00 H new ATOM 0 HA2 GLY A 124 -3.379 2.072 2.701 1.00 1.00 H new ATOM 0 HA3 GLY A 124 -3.903 0.464 2.243 1.00 1.00 H new ATOM 744 N HIS A 125 -1.370 0.371 0.708 1.00 1.00 N ATOM 745 CA HIS A 125 -0.020 -0.134 0.393 1.00 1.00 C ATOM 746 C HIS A 125 0.592 -1.022 1.511 1.00 1.00 C ATOM 747 O HIS A 125 1.650 -0.684 2.098 1.00 1.00 O ATOM 748 CB HIS A 125 0.847 1.034 -0.095 1.00 1.00 C ATOM 749 CG HIS A 125 2.156 0.620 -0.726 1.00 1.00 C ATOM 750 ND1 HIS A 125 3.192 -0.015 -0.075 1.00 1.00 N ATOM 751 CD2 HIS A 125 2.530 0.794 -2.031 1.00 1.00 C ATOM 752 CE1 HIS A 125 4.185 -0.236 -0.961 1.00 1.00 C ATOM 753 NE2 HIS A 125 3.803 0.256 -2.160 1.00 1.00 N ATOM 0 H HIS A 125 -1.984 0.331 -0.105 1.00 1.00 H new ATOM 0 HA HIS A 125 -0.079 -0.846 -0.430 1.00 1.00 H new ATOM 0 HB2 HIS A 125 0.277 1.616 -0.819 1.00 1.00 H new ATOM 0 HB3 HIS A 125 1.056 1.692 0.748 1.00 1.00 H new ATOM 0 HD1 HIS A 125 3.205 -0.274 0.911 1.00 1.00 H new ATOM 0 HD2 HIS A 125 1.946 1.260 -2.811 1.00 1.00 H new ATOM 0 HE1 HIS A 125 5.125 -0.723 -0.748 1.00 1.00 H new TER 762 HIS A 125 ATOM 763 O5' DC B 1 -3.722 27.947 6.452 1.00 1.00 O ATOM 764 C5' DC B 1 -3.924 29.063 7.327 1.00 1.00 C ATOM 765 C4' DC B 1 -3.138 28.976 8.651 1.00 1.00 C ATOM 766 O4' DC B 1 -3.654 27.943 9.487 1.00 1.00 O ATOM 767 C3' DC B 1 -1.641 28.740 8.418 1.00 1.00 C ATOM 768 O3' DC B 1 -0.871 29.670 9.184 1.00 1.00 O ATOM 769 C2' DC B 1 -1.467 27.282 8.832 1.00 1.00 C ATOM 770 C1' DC B 1 -2.616 27.032 9.811 1.00 1.00 C ATOM 771 N1 DC B 1 -3.152 25.651 9.768 1.00 1.00 N ATOM 772 C2 DC B 1 -3.360 24.927 10.949 1.00 1.00 C ATOM 773 O2 DC B 1 -3.042 25.372 12.053 1.00 1.00 O ATOM 774 N3 DC B 1 -3.930 23.696 10.915 1.00 1.00 N ATOM 775 C4 DC B 1 -4.242 23.186 9.738 1.00 1.00 C ATOM 776 N4 DC B 1 -4.807 22.013 9.761 1.00 1.00 N ATOM 777 C5 DC B 1 -4.044 23.872 8.507 1.00 1.00 C ATOM 778 C6 DC B 1 -3.505 25.109 8.570 1.00 1.00 C ATOM 0 H5' DC B 1 -4.987 29.146 7.553 1.00 1.00 H new ATOM 0 H5'' DC B 1 -3.637 29.976 6.806 1.00 1.00 H new ATOM 0 H4' DC B 1 -3.261 29.939 9.147 1.00 1.00 H new ATOM 0 H3' DC B 1 -1.296 28.901 7.397 1.00 1.00 H new ATOM 0 H2' DC B 1 -1.523 26.614 7.972 1.00 1.00 H new ATOM 0 H2'' DC B 1 -0.498 27.114 9.303 1.00 1.00 H new ATOM 0 HO5' DC B 1 -4.251 28.071 5.637 1.00 1.00 H new ATOM 0 H1' DC B 1 -2.231 27.174 10.821 1.00 1.00 H new ATOM 0 H41 DC B 1 -5.075 21.559 8.888 1.00 1.00 H new ATOM 0 H42 DC B 1 -4.981 21.548 10.652 1.00 1.00 H new ATOM 0 H5 DC B 1 -4.313 23.423 7.563 1.00 1.00 H new ATOM 0 H6 DC B 1 -3.353 25.673 7.662 1.00 1.00 H new ATOM 791 P DG B 2 0.752 29.729 9.132 1.00 1.00 P ATOM 792 OP1 DG B 2 1.161 31.115 9.498 1.00 1.00 O ATOM 793 OP2 DG B 2 1.215 29.180 7.828 1.00 1.00 O ATOM 794 O5' DG B 2 1.233 28.717 10.312 1.00 1.00 O ATOM 795 C5' DG B 2 1.037 29.036 11.690 1.00 1.00 C ATOM 796 C4' DG B 2 1.574 27.973 12.673 1.00 1.00 C ATOM 797 O4' DG B 2 0.704 26.843 12.735 1.00 1.00 O ATOM 798 C3' DG B 2 2.996 27.483 12.335 1.00 1.00 C ATOM 799 O3' DG B 2 3.801 27.479 13.515 1.00 1.00 O ATOM 800 C2' DG B 2 2.696 26.096 11.763 1.00 1.00 C ATOM 801 C1' DG B 2 1.479 25.665 12.577 1.00 1.00 C ATOM 802 N9 DG B 2 0.679 24.615 11.915 1.00 1.00 N ATOM 803 C8 DG B 2 0.287 24.568 10.607 1.00 1.00 C ATOM 804 N7 DG B 2 -0.456 23.542 10.294 1.00 1.00 N ATOM 805 C5 DG B 2 -0.532 22.825 11.496 1.00 1.00 C ATOM 806 C6 DG B 2 -1.184 21.581 11.827 1.00 1.00 C ATOM 807 O6 DG B 2 -1.902 20.867 11.130 1.00 1.00 O ATOM 808 N1 DG B 2 -0.952 21.160 13.117 1.00 1.00 N ATOM 809 C2 DG B 2 -0.215 21.858 14.010 1.00 1.00 C ATOM 810 N2 DG B 2 -0.074 21.324 15.192 1.00 1.00 N ATOM 811 N3 DG B 2 0.376 23.028 13.773 1.00 1.00 N ATOM 812 C4 DG B 2 0.187 23.461 12.488 1.00 1.00 C ATOM 0 H5' DG B 2 -0.029 29.175 11.870 1.00 1.00 H new ATOM 0 H5'' DG B 2 1.523 29.988 11.903 1.00 1.00 H new ATOM 0 H4' DG B 2 1.615 28.474 13.640 1.00 1.00 H new ATOM 0 H3' DG B 2 3.570 28.095 11.640 1.00 1.00 H new ATOM 0 H2' DG B 2 2.478 26.135 10.696 1.00 1.00 H new ATOM 0 H2'' DG B 2 3.535 25.412 11.893 1.00 1.00 H new ATOM 0 H1' DG B 2 1.795 25.228 13.524 1.00 1.00 H new ATOM 0 H8 DG B 2 0.570 25.322 9.888 1.00 1.00 H new ATOM 0 H1 DG B 2 -1.358 20.273 13.415 1.00 1.00 H new ATOM 0 H21 DG B 2 0.472 21.805 15.907 1.00 1.00 H new ATOM 0 H22 DG B 2 -0.509 20.426 15.401 1.00 1.00 H new ATOM 824 P DC B 3 5.360 27.013 13.527 1.00 1.00 P ATOM 825 OP1 DC B 3 6.067 27.829 14.555 1.00 1.00 O ATOM 826 OP2 DC B 3 5.891 27.014 12.136 1.00 1.00 O ATOM 827 O5' DC B 3 5.284 25.477 14.046 1.00 1.00 O ATOM 828 C5' DC B 3 4.888 25.182 15.387 1.00 1.00 C ATOM 829 C4' DC B 3 4.771 23.681 15.697 1.00 1.00 C ATOM 830 O4' DC B 3 3.698 23.117 14.958 1.00 1.00 O ATOM 831 C3' DC B 3 6.058 22.882 15.424 1.00 1.00 C ATOM 832 O3' DC B 3 6.586 22.372 16.649 1.00 1.00 O ATOM 833 C2' DC B 3 5.601 21.782 14.464 1.00 1.00 C ATOM 834 C1' DC B 3 4.074 21.831 14.502 1.00 1.00 C ATOM 835 N1 DC B 3 3.474 21.601 13.168 1.00 1.00 N ATOM 836 C2 DC B 3 2.679 20.470 12.948 1.00 1.00 C ATOM 837 O2 DC B 3 2.500 19.613 13.814 1.00 1.00 O ATOM 838 N3 DC B 3 2.070 20.274 11.756 1.00 1.00 N ATOM 839 C4 DC B 3 2.281 21.151 10.799 1.00 1.00 C ATOM 840 N4 DC B 3 1.654 20.910 9.683 1.00 1.00 N ATOM 841 C5 DC B 3 3.102 22.307 10.946 1.00 1.00 C ATOM 842 C6 DC B 3 3.686 22.496 12.158 1.00 1.00 C ATOM 0 H5' DC B 3 3.927 25.657 15.582 1.00 1.00 H new ATOM 0 H5'' DC B 3 5.609 25.627 16.073 1.00 1.00 H new ATOM 0 H4' DC B 3 4.585 23.609 16.769 1.00 1.00 H new ATOM 0 H3' DC B 3 6.867 23.471 14.993 1.00 1.00 H new ATOM 0 H2' DC B 3 5.976 21.957 13.456 1.00 1.00 H new ATOM 0 H2'' DC B 3 5.972 20.806 14.777 1.00 1.00 H new ATOM 0 H1' DC B 3 3.715 21.042 15.162 1.00 1.00 H new ATOM 0 H41 DC B 3 1.763 21.542 8.890 1.00 1.00 H new ATOM 0 H42 DC B 3 1.054 20.089 9.602 1.00 1.00 H new ATOM 0 H5 DC B 3 3.253 23.000 10.132 1.00 1.00 H new ATOM 0 H6 DC B 3 4.319 23.355 12.323 1.00 1.00 H new ATOM 854 P DA B 4 8.031 21.631 16.743 1.00 1.00 P ATOM 855 OP1 DA B 4 8.449 21.641 18.174 1.00 1.00 O ATOM 856 OP2 DA B 4 8.950 22.236 15.738 1.00 1.00 O ATOM 857 O5' DA B 4 7.736 20.095 16.305 1.00 1.00 O ATOM 858 C5' DA B 4 6.881 19.261 17.085 1.00 1.00 C ATOM 859 C4' DA B 4 6.581 17.893 16.445 1.00 1.00 C ATOM 860 O4' DA B 4 5.649 17.999 15.371 1.00 1.00 O ATOM 861 C3' DA B 4 7.840 17.166 15.925 1.00 1.00 C ATOM 862 O3' DA B 4 7.942 15.877 16.524 1.00 1.00 O ATOM 863 C2' DA B 4 7.583 17.150 14.417 1.00 1.00 C ATOM 864 C1' DA B 4 6.060 17.114 14.345 1.00 1.00 C ATOM 865 N9 DA B 4 5.563 17.602 13.047 1.00 1.00 N ATOM 866 C8 DA B 4 5.891 18.788 12.455 1.00 1.00 C ATOM 867 N7 DA B 4 5.252 19.040 11.343 1.00 1.00 N ATOM 868 C5 DA B 4 4.481 17.879 11.174 1.00 1.00 C ATOM 869 C6 DA B 4 3.569 17.427 10.190 1.00 1.00 C ATOM 870 N6 DA B 4 3.196 18.145 9.155 1.00 1.00 N ATOM 871 N1 DA B 4 3.015 16.213 10.245 1.00 1.00 N ATOM 872 C2 DA B 4 3.332 15.449 11.283 1.00 1.00 C ATOM 873 N3 DA B 4 4.143 15.734 12.297 1.00 1.00 N ATOM 874 C4 DA B 4 4.688 16.980 12.186 1.00 1.00 C ATOM 0 H5' DA B 4 5.940 19.784 17.257 1.00 1.00 H new ATOM 0 H5'' DA B 4 7.340 19.101 18.061 1.00 1.00 H new ATOM 0 H4' DA B 4 6.153 17.302 17.255 1.00 1.00 H new ATOM 0 H3' DA B 4 8.796 17.632 16.165 1.00 1.00 H new ATOM 0 H2' DA B 4 7.992 18.033 13.926 1.00 1.00 H new ATOM 0 H2'' DA B 4 8.033 16.281 13.937 1.00 1.00 H new ATOM 0 H1' DA B 4 5.676 16.100 14.458 1.00 1.00 H new ATOM 0 H8 DA B 4 6.621 19.465 12.873 1.00 1.00 H new ATOM 0 H61 DA B 4 2.534 17.761 8.480 1.00 1.00 H new ATOM 0 H62 DA B 4 3.568 19.086 9.026 1.00 1.00 H new ATOM 0 H2 DA B 4 2.873 14.472 11.307 1.00 1.00 H new ATOM 886 P DT B 5 9.242 14.920 16.325 1.00 1.00 P ATOM 887 OP1 DT B 5 9.325 14.018 17.509 1.00 1.00 O ATOM 888 OP2 DT B 5 10.427 15.759 15.994 1.00 1.00 O ATOM 889 O5' DT B 5 8.865 14.032 15.024 1.00 1.00 O ATOM 890 C5' DT B 5 7.824 13.061 15.076 1.00 1.00 C ATOM 891 C4' DT B 5 7.585 12.346 13.736 1.00 1.00 C ATOM 892 O4' DT B 5 6.958 13.220 12.802 1.00 1.00 O ATOM 893 C3' DT B 5 8.871 11.784 13.102 1.00 1.00 C ATOM 894 O3' DT B 5 8.709 10.392 12.850 1.00 1.00 O ATOM 895 C2' DT B 5 9.008 12.651 11.848 1.00 1.00 C ATOM 896 C1' DT B 5 7.557 13.023 11.537 1.00 1.00 C ATOM 897 N1 DT B 5 7.374 14.251 10.710 1.00 1.00 N ATOM 898 C2 DT B 5 6.465 14.192 9.646 1.00 1.00 C ATOM 899 O2 DT B 5 5.890 13.161 9.304 1.00 1.00 O ATOM 900 N3 DT B 5 6.223 15.355 8.952 1.00 1.00 N ATOM 901 C4 DT B 5 6.865 16.553 9.170 1.00 1.00 C ATOM 902 O4 DT B 5 6.552 17.518 8.481 1.00 1.00 O ATOM 903 C5 DT B 5 7.863 16.534 10.239 1.00 1.00 C ATOM 904 C7 DT B 5 8.700 17.765 10.531 1.00 1.00 C ATOM 905 C6 DT B 5 8.066 15.414 10.980 1.00 1.00 C ATOM 0 H5' DT B 5 6.900 13.547 15.389 1.00 1.00 H new ATOM 0 H5'' DT B 5 8.068 12.319 15.836 1.00 1.00 H new ATOM 0 H4' DT B 5 6.935 11.503 13.967 1.00 1.00 H new ATOM 0 H3' DT B 5 9.771 11.832 13.714 1.00 1.00 H new ATOM 0 H2' DT B 5 9.622 13.533 12.030 1.00 1.00 H new ATOM 0 H2'' DT B 5 9.471 12.105 11.026 1.00 1.00 H new ATOM 0 H1' DT B 5 7.113 12.229 10.937 1.00 1.00 H new ATOM 0 H3 DT B 5 5.513 15.327 8.220 1.00 1.00 H new ATOM 0 H71 DT B 5 8.962 17.785 11.589 1.00 1.00 H new ATOM 0 H72 DT B 5 9.611 17.736 9.933 1.00 1.00 H new ATOM 0 H73 DT B 5 8.130 18.660 10.282 1.00 1.00 H new ATOM 0 H6 DT B 5 8.779 15.434 11.791 1.00 1.00 H new ATOM 918 P DA B 6 9.859 9.470 12.162 1.00 1.00 P ATOM 919 OP1 DA B 6 9.824 8.130 12.817 1.00 1.00 O ATOM 920 OP2 DA B 6 11.153 10.209 12.131 1.00 1.00 O ATOM 921 O5' DA B 6 9.310 9.329 10.644 1.00 1.00 O ATOM 922 C5' DA B 6 8.089 8.640 10.385 1.00 1.00 C ATOM 923 C4' DA B 6 7.693 8.567 8.904 1.00 1.00 C ATOM 924 O4' DA B 6 7.279 9.852 8.438 1.00 1.00 O ATOM 925 C3' DA B 6 8.814 8.037 7.993 1.00 1.00 C ATOM 926 O3' DA B 6 8.264 7.079 7.095 1.00 1.00 O ATOM 927 C2' DA B 6 9.317 9.328 7.355 1.00 1.00 C ATOM 928 C1' DA B 6 8.083 10.228 7.331 1.00 1.00 C ATOM 929 N9 DA B 6 8.435 11.657 7.425 1.00 1.00 N ATOM 930 C8 DA B 6 9.401 12.239 8.206 1.00 1.00 C ATOM 931 N7 DA B 6 9.550 13.526 8.028 1.00 1.00 N ATOM 932 C5 DA B 6 8.605 13.804 7.031 1.00 1.00 C ATOM 933 C6 DA B 6 8.214 14.966 6.324 1.00 1.00 C ATOM 934 N6 DA B 6 8.740 16.166 6.495 1.00 1.00 N ATOM 935 N1 DA B 6 7.266 14.920 5.391 1.00 1.00 N ATOM 936 C2 DA B 6 6.688 13.751 5.145 1.00 1.00 C ATOM 937 N3 DA B 6 6.931 12.586 5.729 1.00 1.00 N ATOM 938 C4 DA B 6 7.914 12.677 6.667 1.00 1.00 C ATOM 0 H5' DA B 6 7.287 9.130 10.937 1.00 1.00 H new ATOM 0 H5'' DA B 6 8.171 7.626 10.775 1.00 1.00 H new ATOM 0 H4' DA B 6 6.870 7.855 8.849 1.00 1.00 H new ATOM 0 H3' DA B 6 9.632 7.497 8.469 1.00 1.00 H new ATOM 0 H2' DA B 6 10.125 9.773 7.936 1.00 1.00 H new ATOM 0 H2'' DA B 6 9.704 9.154 6.351 1.00 1.00 H new ATOM 0 H1' DA B 6 7.555 10.102 6.386 1.00 1.00 H new ATOM 0 H8 DA B 6 9.993 11.677 8.914 1.00 1.00 H new ATOM 0 H61 DA B 6 8.401 16.955 5.944 1.00 1.00 H new ATOM 0 H62 DA B 6 9.485 16.304 7.178 1.00 1.00 H new ATOM 0 H2 DA B 6 5.929 13.748 4.377 1.00 1.00 H new ATOM 950 P DT B 7 9.117 6.383 5.901 1.00 1.00 P ATOM 951 OP1 DT B 7 8.497 5.062 5.596 1.00 1.00 O ATOM 952 OP2 DT B 7 10.572 6.426 6.224 1.00 1.00 O ATOM 953 O5' DT B 7 8.823 7.389 4.667 1.00 1.00 O ATOM 954 C5' DT B 7 7.482 7.615 4.247 1.00 1.00 C ATOM 955 C4' DT B 7 7.343 8.755 3.233 1.00 1.00 C ATOM 956 O4' DT B 7 7.748 9.989 3.805 1.00 1.00 O ATOM 957 C3' DT B 7 8.141 8.531 1.938 1.00 1.00 C ATOM 958 O3' DT B 7 7.282 8.747 0.824 1.00 1.00 O ATOM 959 C2' DT B 7 9.213 9.604 2.051 1.00 1.00 C ATOM 960 C1' DT B 7 8.447 10.689 2.797 1.00 1.00 C ATOM 961 N1 DT B 7 9.332 11.718 3.388 1.00 1.00 N ATOM 962 C2 DT B 7 9.165 13.049 2.985 1.00 1.00 C ATOM 963 O2 DT B 7 8.382 13.420 2.114 1.00 1.00 O ATOM 964 N3 DT B 7 9.956 13.979 3.610 1.00 1.00 N ATOM 965 C4 DT B 7 10.937 13.718 4.532 1.00 1.00 C ATOM 966 O4 DT B 7 11.573 14.674 4.976 1.00 1.00 O ATOM 967 C5 DT B 7 11.102 12.303 4.870 1.00 1.00 C ATOM 968 C7 DT B 7 12.167 11.876 5.862 1.00 1.00 C ATOM 969 C6 DT B 7 10.303 11.363 4.297 1.00 1.00 C ATOM 0 H5' DT B 7 6.869 7.839 5.120 1.00 1.00 H new ATOM 0 H5'' DT B 7 7.088 6.699 3.808 1.00 1.00 H new ATOM 0 H4' DT B 7 6.285 8.779 2.970 1.00 1.00 H new ATOM 0 H3' DT B 7 8.557 7.532 1.805 1.00 1.00 H new ATOM 0 H2' DT B 7 10.087 9.260 2.604 1.00 1.00 H new ATOM 0 H2'' DT B 7 9.565 9.942 1.076 1.00 1.00 H new ATOM 0 H1' DT B 7 7.793 11.243 2.124 1.00 1.00 H new ATOM 0 H3 DT B 7 9.800 14.957 3.366 1.00 1.00 H new ATOM 0 H71 DT B 7 11.839 10.977 6.384 1.00 1.00 H new ATOM 0 H72 DT B 7 13.096 11.669 5.331 1.00 1.00 H new ATOM 0 H73 DT B 7 12.332 12.675 6.585 1.00 1.00 H new ATOM 0 H6 DT B 7 10.432 10.323 4.559 1.00 1.00 H new ATOM 982 P DA B 8 7.529 8.073 -0.619 1.00 1.00 P ATOM 983 OP1 DA B 8 6.230 8.099 -1.338 1.00 1.00 O ATOM 984 OP2 DA B 8 8.180 6.750 -0.412 1.00 1.00 O ATOM 985 O5' DA B 8 8.551 9.069 -1.358 1.00 1.00 O ATOM 986 C5' DA B 8 8.063 10.199 -2.068 1.00 1.00 C ATOM 987 C4' DA B 8 9.155 11.159 -2.564 1.00 1.00 C ATOM 988 O4' DA B 8 9.577 12.010 -1.512 1.00 1.00 O ATOM 989 C3' DA B 8 10.403 10.486 -3.170 1.00 1.00 C ATOM 990 O3' DA B 8 10.464 10.721 -4.576 1.00 1.00 O ATOM 991 C2' DA B 8 11.544 11.137 -2.386 1.00 1.00 C ATOM 992 C1' DA B 8 10.912 12.377 -1.776 1.00 1.00 C ATOM 993 N9 DA B 8 11.541 12.810 -0.510 1.00 1.00 N ATOM 994 C8 DA B 8 11.809 12.086 0.630 1.00 1.00 C ATOM 995 N7 DA B 8 12.334 12.783 1.608 1.00 1.00 N ATOM 996 C5 DA B 8 12.413 14.074 1.059 1.00 1.00 C ATOM 997 C6 DA B 8 12.848 15.349 1.511 1.00 1.00 C ATOM 998 N6 DA B 8 13.283 15.646 2.725 1.00 1.00 N ATOM 999 N1 DA B 8 12.787 16.419 0.720 1.00 1.00 N ATOM 1000 C2 DA B 8 12.298 16.265 -0.495 1.00 1.00 C ATOM 1001 N3 DA B 8 11.845 15.160 -1.063 1.00 1.00 N ATOM 1002 C4 DA B 8 11.937 14.090 -0.228 1.00 1.00 C ATOM 0 H5' DA B 8 7.378 10.750 -1.423 1.00 1.00 H new ATOM 0 H5'' DA B 8 7.485 9.852 -2.925 1.00 1.00 H new ATOM 0 H4' DA B 8 8.678 11.713 -3.372 1.00 1.00 H new ATOM 0 H3' DA B 8 10.425 9.400 -3.085 1.00 1.00 H new ATOM 0 H2' DA B 8 11.933 10.468 -1.618 1.00 1.00 H new ATOM 0 H2'' DA B 8 12.379 11.394 -3.037 1.00 1.00 H new ATOM 0 H1' DA B 8 11.025 13.215 -2.463 1.00 1.00 H new ATOM 0 H8 DA B 8 11.603 11.029 0.712 1.00 1.00 H new ATOM 0 H61 DA B 8 13.572 16.599 2.944 1.00 1.00 H new ATOM 0 H62 DA B 8 13.329 14.922 3.442 1.00 1.00 H new ATOM 0 H2 DA B 8 12.263 17.156 -1.105 1.00 1.00 H new ATOM 1014 P DT B 9 11.684 10.170 -5.510 1.00 1.00 P ATOM 1015 OP1 DT B 9 11.083 9.626 -6.756 1.00 1.00 O ATOM 1016 OP2 DT B 9 12.612 9.310 -4.725 1.00 1.00 O ATOM 1017 O5' DT B 9 12.422 11.563 -5.859 1.00 1.00 O ATOM 1018 C5' DT B 9 11.723 12.580 -6.566 1.00 1.00 C ATOM 1019 C4' DT B 9 12.527 13.868 -6.790 1.00 1.00 C ATOM 1020 O4' DT B 9 12.714 14.542 -5.553 1.00 1.00 O ATOM 1021 C3' DT B 9 13.886 13.606 -7.447 1.00 1.00 C ATOM 1022 O3' DT B 9 14.062 14.476 -8.566 1.00 1.00 O ATOM 1023 C2' DT B 9 14.847 13.834 -6.286 1.00 1.00 C ATOM 1024 C1' DT B 9 14.091 14.795 -5.367 1.00 1.00 C ATOM 1025 N1 DT B 9 14.430 14.639 -3.928 1.00 1.00 N ATOM 1026 C2 DT B 9 14.757 15.790 -3.199 1.00 1.00 C ATOM 1027 O2 DT B 9 14.727 16.934 -3.659 1.00 1.00 O ATOM 1028 N3 DT B 9 15.133 15.607 -1.887 1.00 1.00 N ATOM 1029 C4 DT B 9 15.188 14.398 -1.235 1.00 1.00 C ATOM 1030 O4 DT B 9 15.479 14.384 -0.042 1.00 1.00 O ATOM 1031 C5 DT B 9 14.847 13.233 -2.051 1.00 1.00 C ATOM 1032 C7 DT B 9 14.926 11.841 -1.448 1.00 1.00 C ATOM 1033 C6 DT B 9 14.461 13.389 -3.342 1.00 1.00 C ATOM 0 H5' DT B 9 10.813 12.826 -6.018 1.00 1.00 H new ATOM 0 H5'' DT B 9 11.416 12.186 -7.535 1.00 1.00 H new ATOM 0 H4' DT B 9 11.951 14.492 -7.474 1.00 1.00 H new ATOM 0 H3' DT B 9 14.028 12.616 -7.880 1.00 1.00 H new ATOM 0 H2' DT B 9 15.088 12.901 -5.777 1.00 1.00 H new ATOM 0 H2'' DT B 9 15.789 14.264 -6.626 1.00 1.00 H new ATOM 0 H1' DT B 9 14.373 15.814 -5.630 1.00 1.00 H new ATOM 0 H3 DT B 9 15.392 16.438 -1.355 1.00 1.00 H new ATOM 0 H71 DT B 9 15.700 11.820 -0.681 1.00 1.00 H new ATOM 0 H72 DT B 9 13.966 11.583 -1.002 1.00 1.00 H new ATOM 0 H73 DT B 9 15.169 11.120 -2.228 1.00 1.00 H new ATOM 0 H6 DT B 9 14.174 12.523 -3.920 1.00 1.00 H new ATOM 1046 P DG B 10 15.427 14.541 -9.443 1.00 1.00 P ATOM 1047 OP1 DG B 10 15.067 14.935 -10.833 1.00 1.00 O ATOM 1048 OP2 DG B 10 16.216 13.293 -9.238 1.00 1.00 O ATOM 1049 O5' DG B 10 16.225 15.773 -8.758 1.00 1.00 O ATOM 1050 C5' DG B 10 15.694 17.095 -8.799 1.00 1.00 C ATOM 1051 C4' DG B 10 16.611 18.164 -8.174 1.00 1.00 C ATOM 1052 O4' DG B 10 16.643 18.038 -6.751 1.00 1.00 O ATOM 1053 C3' DG B 10 18.055 18.097 -8.709 1.00 1.00 C ATOM 1054 O3' DG B 10 18.534 19.413 -8.986 1.00 1.00 O ATOM 1055 C2' DG B 10 18.759 17.389 -7.552 1.00 1.00 C ATOM 1056 C1' DG B 10 17.993 17.903 -6.336 1.00 1.00 C ATOM 1057 N9 DG B 10 18.078 16.990 -5.178 1.00 1.00 N ATOM 1058 C8 DG B 10 17.913 15.634 -5.178 1.00 1.00 C ATOM 1059 N7 DG B 10 17.974 15.074 -3.999 1.00 1.00 N ATOM 1060 C5 DG B 10 18.264 16.154 -3.151 1.00 1.00 C ATOM 1061 C6 DG B 10 18.496 16.212 -1.728 1.00 1.00 C ATOM 1062 O6 DG B 10 18.413 15.313 -0.889 1.00 1.00 O ATOM 1063 N1 DG B 10 18.869 17.462 -1.284 1.00 1.00 N ATOM 1064 C2 DG B 10 18.961 18.546 -2.088 1.00 1.00 C ATOM 1065 N2 DG B 10 19.355 19.652 -1.518 1.00 1.00 N ATOM 1066 N3 DG B 10 18.698 18.564 -3.395 1.00 1.00 N ATOM 1067 C4 DG B 10 18.364 17.327 -3.874 1.00 1.00 C ATOM 0 H5' DG B 10 14.736 17.106 -8.280 1.00 1.00 H new ATOM 0 H5'' DG B 10 15.497 17.363 -9.837 1.00 1.00 H new ATOM 0 H4' DG B 10 16.186 19.127 -8.458 1.00 1.00 H new ATOM 0 H3' DG B 10 18.201 17.575 -9.655 1.00 1.00 H new ATOM 0 H2' DG B 10 18.697 16.304 -7.642 1.00 1.00 H new ATOM 0 H2'' DG B 10 19.817 17.645 -7.503 1.00 1.00 H new ATOM 0 H1' DG B 10 18.423 18.847 -6.001 1.00 1.00 H new ATOM 0 H8 DG B 10 17.745 15.068 -6.083 1.00 1.00 H new ATOM 0 H1 DG B 10 19.088 17.576 -0.294 1.00 1.00 H new ATOM 0 H21 DG B 10 19.445 20.506 -2.069 1.00 1.00 H new ATOM 0 H22 DG B 10 19.573 19.663 -0.522 1.00 1.00 H new ATOM 1079 P DC B 11 20.005 19.715 -9.610 1.00 1.00 P ATOM 1080 OP1 DC B 11 19.863 20.822 -10.598 1.00 1.00 O ATOM 1081 OP2 DC B 11 20.633 18.441 -10.064 1.00 1.00 O ATOM 1082 O5' DC B 11 20.844 20.272 -8.333 1.00 1.00 O ATOM 1083 C5' DC B 11 20.474 21.497 -7.702 1.00 1.00 C ATOM 1084 C4' DC B 11 21.389 21.915 -6.534 1.00 1.00 C ATOM 1085 O4' DC B 11 21.212 21.036 -5.428 1.00 1.00 O ATOM 1086 C3' DC B 11 22.880 21.957 -6.913 1.00 1.00 C ATOM 1087 O3' DC B 11 23.488 23.149 -6.407 1.00 1.00 O ATOM 1088 C2' DC B 11 23.396 20.662 -6.280 1.00 1.00 C ATOM 1089 C1' DC B 11 22.462 20.465 -5.082 1.00 1.00 C ATOM 1090 N1 DC B 11 22.250 19.057 -4.661 1.00 1.00 N ATOM 1091 C2 DC B 11 22.346 18.710 -3.305 1.00 1.00 C ATOM 1092 O2 DC B 11 22.703 19.515 -2.442 1.00 1.00 O ATOM 1093 N3 DC B 11 22.057 17.452 -2.890 1.00 1.00 N ATOM 1094 C4 DC B 11 21.688 16.570 -3.794 1.00 1.00 C ATOM 1095 N4 DC B 11 21.368 15.394 -3.335 1.00 1.00 N ATOM 1096 C5 DC B 11 21.609 16.845 -5.186 1.00 1.00 C ATOM 1097 C6 DC B 11 21.895 18.111 -5.580 1.00 1.00 C ATOM 0 H5' DC B 11 19.452 21.407 -7.333 1.00 1.00 H new ATOM 0 H5'' DC B 11 20.474 22.291 -8.449 1.00 1.00 H new ATOM 0 H4' DC B 11 21.093 22.929 -6.266 1.00 1.00 H new ATOM 0 H3' DC B 11 23.098 21.999 -7.980 1.00 1.00 H new ATOM 0 H2' DC B 11 23.342 19.824 -6.975 1.00 1.00 H new ATOM 0 H2'' DC B 11 24.437 20.752 -5.969 1.00 1.00 H new ATOM 0 H1' DC B 11 22.940 20.944 -4.228 1.00 1.00 H new ATOM 0 H41 DC B 11 21.072 14.659 -3.977 1.00 1.00 H new ATOM 0 H42 DC B 11 21.413 15.208 -2.333 1.00 1.00 H new ATOM 0 H5 DC B 11 21.334 16.081 -5.898 1.00 1.00 H new ATOM 0 H6 DC B 11 21.842 18.373 -6.626 1.00 1.00 H new ATOM 1109 P DG B 12 24.988 23.614 -6.828 1.00 1.00 P ATOM 1110 OP1 DG B 12 25.125 25.065 -6.515 1.00 1.00 O ATOM 1111 OP2 DG B 12 25.263 23.167 -8.223 1.00 1.00 O ATOM 1112 O5' DG B 12 25.962 22.784 -5.832 1.00 1.00 O ATOM 1113 C5' DG B 12 26.016 23.080 -4.439 1.00 1.00 C ATOM 1114 C4' DG B 12 26.660 21.957 -3.609 1.00 1.00 C ATOM 1115 O4' DG B 12 25.809 20.824 -3.532 1.00 1.00 O ATOM 1116 C3' DG B 12 28.015 21.443 -4.129 1.00 1.00 C ATOM 1117 O3' DG B 12 29.130 22.100 -3.525 1.00 1.00 O ATOM 1118 C2' DG B 12 28.000 19.961 -3.747 1.00 1.00 C ATOM 1119 C1' DG B 12 26.615 19.733 -3.132 1.00 1.00 C ATOM 1120 N9 DG B 12 26.005 18.464 -3.569 1.00 1.00 N ATOM 1121 C8 DG B 12 25.697 18.083 -4.846 1.00 1.00 C ATOM 1122 N7 DG B 12 25.194 16.878 -4.945 1.00 1.00 N ATOM 1123 C5 DG B 12 25.187 16.422 -3.617 1.00 1.00 C ATOM 1124 C6 DG B 12 24.774 15.169 -3.030 1.00 1.00 C ATOM 1125 O6 DG B 12 24.305 14.159 -3.560 1.00 1.00 O ATOM 1126 N1 DG B 12 24.952 15.119 -1.665 1.00 1.00 N ATOM 1127 C2 DG B 12 25.487 16.121 -0.932 1.00 1.00 C ATOM 1128 N2 DG B 12 25.651 15.900 0.345 1.00 1.00 N ATOM 1129 N3 DG B 12 25.877 17.294 -1.420 1.00 1.00 N ATOM 1130 C4 DG B 12 25.695 17.388 -2.772 1.00 1.00 C ATOM 0 H5' DG B 12 25.006 23.261 -4.073 1.00 1.00 H new ATOM 0 H5'' DG B 12 26.579 24.002 -4.291 1.00 1.00 H new ATOM 0 H4' DG B 12 26.823 22.430 -2.641 1.00 1.00 H new ATOM 0 H3' DG B 12 28.130 21.627 -5.197 1.00 1.00 H new ATOM 0 H2' DG B 12 28.156 19.326 -4.619 1.00 1.00 H new ATOM 0 H2'' DG B 12 28.793 19.727 -3.036 1.00 1.00 H new ATOM 0 HO3' DG B 12 29.963 21.734 -3.890 1.00 1.00 H new ATOM 0 H1' DG B 12 26.703 19.667 -2.048 1.00 1.00 H new ATOM 0 H8 DG B 12 25.855 18.723 -5.702 1.00 1.00 H new ATOM 0 H1 DG B 12 24.662 14.272 -1.176 1.00 1.00 H new ATOM 0 H21 DG B 12 26.051 16.625 0.941 1.00 1.00 H new ATOM 0 H22 DG B 12 25.379 15.003 0.746 1.00 1.00 H new TER 1143 DG B 12 ATOM 1144 O5' DC C 13 23.170 7.856 3.828 1.00 1.00 O ATOM 1145 C5' DC C 13 24.516 7.993 4.294 1.00 1.00 C ATOM 1146 C4' DC C 13 24.999 9.453 4.416 1.00 1.00 C ATOM 1147 O4' DC C 13 25.070 10.069 3.132 1.00 1.00 O ATOM 1148 C3' DC C 13 24.071 10.287 5.310 1.00 1.00 C ATOM 1149 O3' DC C 13 24.827 11.084 6.222 1.00 1.00 O ATOM 1150 C2' DC C 13 23.293 11.109 4.283 1.00 1.00 C ATOM 1151 C1' DC C 13 24.332 11.280 3.172 1.00 1.00 C ATOM 1152 N1 DC C 13 23.792 11.589 1.823 1.00 1.00 N ATOM 1153 C2 DC C 13 24.364 12.615 1.057 1.00 1.00 C ATOM 1154 O2 DC C 13 25.228 13.371 1.508 1.00 1.00 O ATOM 1155 N3 DC C 13 23.986 12.816 -0.231 1.00 1.00 N ATOM 1156 C4 DC C 13 23.032 12.056 -0.727 1.00 1.00 C ATOM 1157 N4 DC C 13 22.746 12.257 -1.984 1.00 1.00 N ATOM 1158 C5 DC C 13 22.394 11.018 0.008 1.00 1.00 C ATOM 1159 C6 DC C 13 22.809 10.814 1.280 1.00 1.00 C ATOM 0 H5' DC C 13 25.180 7.458 3.614 1.00 1.00 H new ATOM 0 H5'' DC C 13 24.602 7.511 5.268 1.00 1.00 H new ATOM 0 H4' DC C 13 25.990 9.420 4.869 1.00 1.00 H new ATOM 0 H3' DC C 13 23.414 9.706 5.957 1.00 1.00 H new ATOM 0 H2' DC C 13 22.401 10.589 3.933 1.00 1.00 H new ATOM 0 H2'' DC C 13 22.965 12.066 4.688 1.00 1.00 H new ATOM 0 HO5' DC C 13 22.937 6.906 3.775 1.00 1.00 H new ATOM 0 H1' DC C 13 24.935 12.155 3.415 1.00 1.00 H new ATOM 0 H41 DC C 13 22.017 11.705 -2.436 1.00 1.00 H new ATOM 0 H42 DC C 13 23.251 12.967 -2.515 1.00 1.00 H new ATOM 0 H5 DC C 13 21.611 10.418 -0.431 1.00 1.00 H new ATOM 0 H6 DC C 13 22.358 10.030 1.871 1.00 1.00 H new ATOM 1172 P DG C 14 24.133 11.963 7.399 1.00 1.00 P ATOM 1173 OP1 DG C 14 25.003 11.870 8.605 1.00 1.00 O ATOM 1174 OP2 DG C 14 22.706 11.557 7.534 1.00 1.00 O ATOM 1175 O5' DG C 14 24.166 13.494 6.848 1.00 1.00 O ATOM 1176 C5' DG C 14 25.380 14.247 6.810 1.00 1.00 C ATOM 1177 C4' DG C 14 25.202 15.747 6.487 1.00 1.00 C ATOM 1178 O4' DG C 14 24.983 15.952 5.091 1.00 1.00 O ATOM 1179 C3' DG C 14 24.051 16.412 7.264 1.00 1.00 C ATOM 1180 O3' DG C 14 24.457 17.705 7.723 1.00 1.00 O ATOM 1181 C2' DG C 14 22.948 16.423 6.202 1.00 1.00 C ATOM 1182 C1' DG C 14 23.727 16.585 4.899 1.00 1.00 C ATOM 1183 N9 DG C 14 23.056 15.967 3.737 1.00 1.00 N ATOM 1184 C8 DG C 14 22.443 14.747 3.683 1.00 1.00 C ATOM 1185 N7 DG C 14 21.991 14.416 2.504 1.00 1.00 N ATOM 1186 C5 DG C 14 22.304 15.534 1.717 1.00 1.00 C ATOM 1187 C6 DG C 14 22.060 15.820 0.326 1.00 1.00 C ATOM 1188 O6 DG C 14 21.555 15.108 -0.538 1.00 1.00 O ATOM 1189 N1 DG C 14 22.463 17.078 -0.057 1.00 1.00 N ATOM 1190 C2 DG C 14 23.069 17.957 0.773 1.00 1.00 C ATOM 1191 N2 DG C 14 23.399 19.111 0.259 1.00 1.00 N ATOM 1192 N3 DG C 14 23.356 17.731 2.052 1.00 1.00 N ATOM 1193 C4 DG C 14 22.936 16.499 2.473 1.00 1.00 C ATOM 0 H5' DG C 14 26.042 13.805 6.065 1.00 1.00 H new ATOM 0 H5'' DG C 14 25.879 14.154 7.775 1.00 1.00 H new ATOM 0 H4' DG C 14 26.134 16.217 6.800 1.00 1.00 H new ATOM 0 H3' DG C 14 23.727 15.913 8.178 1.00 1.00 H new ATOM 0 H2' DG C 14 22.368 15.500 6.213 1.00 1.00 H new ATOM 0 H2'' DG C 14 22.246 17.243 6.357 1.00 1.00 H new ATOM 0 H1' DG C 14 23.814 17.649 4.677 1.00 1.00 H new ATOM 0 H8 DG C 14 22.341 14.107 4.547 1.00 1.00 H new ATOM 0 H1 DG C 14 22.295 17.364 -1.022 1.00 1.00 H new ATOM 0 H21 DG C 14 23.859 19.814 0.837 1.00 1.00 H new ATOM 0 H22 DG C 14 23.197 19.309 -0.721 1.00 1.00 H new ATOM 1205 P DC C 15 23.494 18.680 8.602 1.00 1.00 P ATOM 1206 OP1 DC C 15 24.364 19.655 9.318 1.00 1.00 O ATOM 1207 OP2 DC C 15 22.559 17.844 9.408 1.00 1.00 O ATOM 1208 O5' DC C 15 22.636 19.483 7.485 1.00 1.00 O ATOM 1209 C5' DC C 15 23.277 20.366 6.567 1.00 1.00 C ATOM 1210 C4' DC C 15 22.412 20.719 5.345 1.00 1.00 C ATOM 1211 O4' DC C 15 22.148 19.573 4.549 1.00 1.00 O ATOM 1212 C3' DC C 15 21.060 21.375 5.671 1.00 1.00 C ATOM 1213 O3' DC C 15 21.177 22.796 5.589 1.00 1.00 O ATOM 1214 C2' DC C 15 20.122 20.760 4.624 1.00 1.00 C ATOM 1215 C1' DC C 15 21.014 19.871 3.762 1.00 1.00 C ATOM 1216 N1 DC C 15 20.321 18.636 3.335 1.00 1.00 N ATOM 1217 C2 DC C 15 19.929 18.481 1.999 1.00 1.00 C ATOM 1218 O2 DC C 15 20.077 19.371 1.159 1.00 1.00 O ATOM 1219 N3 DC C 15 19.375 17.324 1.574 1.00 1.00 N ATOM 1220 C4 DC C 15 19.186 16.365 2.455 1.00 1.00 C ATOM 1221 N4 DC C 15 18.676 15.266 1.976 1.00 1.00 N ATOM 1222 C5 DC C 15 19.516 16.478 3.837 1.00 1.00 C ATOM 1223 C6 DC C 15 20.083 17.642 4.242 1.00 1.00 C ATOM 0 H5' DC C 15 24.205 19.909 6.224 1.00 1.00 H new ATOM 0 H5'' DC C 15 23.547 21.285 7.088 1.00 1.00 H new ATOM 0 H4' DC C 15 23.016 21.452 4.809 1.00 1.00 H new ATOM 0 H3' DC C 15 20.689 21.197 6.680 1.00 1.00 H new ATOM 0 H2' DC C 15 19.329 20.181 5.097 1.00 1.00 H new ATOM 0 H2'' DC C 15 19.639 21.532 4.025 1.00 1.00 H new ATOM 0 H1' DC C 15 21.290 20.383 2.841 1.00 1.00 H new ATOM 0 H41 DC C 15 18.499 14.474 2.594 1.00 1.00 H new ATOM 0 H42 DC C 15 18.454 15.197 0.983 1.00 1.00 H new ATOM 0 H5 DC C 15 19.323 15.673 4.531 1.00 1.00 H new ATOM 0 H6 DC C 15 20.346 17.783 5.280 1.00 1.00 H new ATOM 1235 P DA C 16 19.937 23.814 5.858 1.00 1.00 P ATOM 1236 OP1 DA C 16 20.508 25.163 6.134 1.00 1.00 O ATOM 1237 OP2 DA C 16 19.024 23.212 6.870 1.00 1.00 O ATOM 1238 O5' DA C 16 19.157 23.873 4.433 1.00 1.00 O ATOM 1239 C5' DA C 16 19.831 24.283 3.243 1.00 1.00 C ATOM 1240 C4' DA C 16 18.966 24.200 1.970 1.00 1.00 C ATOM 1241 O4' DA C 16 18.748 22.850 1.556 1.00 1.00 O ATOM 1242 C3' DA C 16 17.596 24.885 2.137 1.00 1.00 C ATOM 1243 O3' DA C 16 17.334 25.752 1.033 1.00 1.00 O ATOM 1244 C2' DA C 16 16.675 23.668 2.235 1.00 1.00 C ATOM 1245 C1' DA C 16 17.362 22.669 1.310 1.00 1.00 C ATOM 1246 N9 DA C 16 16.998 21.278 1.629 1.00 1.00 N ATOM 1247 C8 DA C 16 17.082 20.689 2.857 1.00 1.00 C ATOM 1248 N7 DA C 16 16.829 19.405 2.865 1.00 1.00 N ATOM 1249 C5 DA C 16 16.488 19.160 1.524 1.00 1.00 C ATOM 1250 C6 DA C 16 16.071 18.020 0.799 1.00 1.00 C ATOM 1251 N6 DA C 16 15.977 16.811 1.312 1.00 1.00 N ATOM 1252 N1 DA C 16 15.705 18.095 -0.482 1.00 1.00 N ATOM 1253 C2 DA C 16 15.770 19.283 -1.069 1.00 1.00 C ATOM 1254 N3 DA C 16 16.190 20.432 -0.544 1.00 1.00 N ATOM 1255 C4 DA C 16 16.540 20.303 0.770 1.00 1.00 C ATOM 0 H5' DA C 16 20.717 23.663 3.108 1.00 1.00 H new ATOM 0 H5'' DA C 16 20.176 25.309 3.369 1.00 1.00 H new ATOM 0 H4' DA C 16 19.536 24.729 1.206 1.00 1.00 H new ATOM 0 H3' DA C 16 17.487 25.549 2.994 1.00 1.00 H new ATOM 0 H2' DA C 16 16.602 23.294 3.256 1.00 1.00 H new ATOM 0 H2'' DA C 16 15.661 23.897 1.906 1.00 1.00 H new ATOM 0 H1' DA C 16 17.072 22.837 0.273 1.00 1.00 H new ATOM 0 H8 DA C 16 17.337 21.239 3.751 1.00 1.00 H new ATOM 0 H61 DA C 16 15.669 16.032 0.730 1.00 1.00 H new ATOM 0 H62 DA C 16 16.213 16.653 2.292 1.00 1.00 H new ATOM 0 H2 DA C 16 15.442 19.323 -2.097 1.00 1.00 H new ATOM 1267 P DT C 17 16.026 26.719 0.967 1.00 1.00 P ATOM 1268 OP1 DT C 17 16.328 27.831 0.021 1.00 1.00 O ATOM 1269 OP2 DT C 17 15.607 27.069 2.354 1.00 1.00 O ATOM 1270 O5' DT C 17 14.879 25.780 0.307 1.00 1.00 O ATOM 1271 C5' DT C 17 14.990 25.336 -1.044 1.00 1.00 C ATOM 1272 C4' DT C 17 13.917 24.311 -1.446 1.00 1.00 C ATOM 1273 O4' DT C 17 14.136 23.064 -0.795 1.00 1.00 O ATOM 1274 C3' DT C 17 12.472 24.763 -1.155 1.00 1.00 C ATOM 1275 O3' DT C 17 11.728 24.796 -2.372 1.00 1.00 O ATOM 1276 C2' DT C 17 11.999 23.706 -0.151 1.00 1.00 C ATOM 1277 C1' DT C 17 12.870 22.504 -0.514 1.00 1.00 C ATOM 1278 N1 DT C 17 12.989 21.481 0.557 1.00 1.00 N ATOM 1279 C2 DT C 17 12.785 20.134 0.220 1.00 1.00 C ATOM 1280 O2 DT C 17 12.490 19.722 -0.907 1.00 1.00 O ATOM 1281 N3 DT C 17 12.942 19.222 1.236 1.00 1.00 N ATOM 1282 C4 DT C 17 13.289 19.496 2.535 1.00 1.00 C ATOM 1283 O4 DT C 17 13.436 18.552 3.312 1.00 1.00 O ATOM 1284 C5 DT C 17 13.461 20.916 2.828 1.00 1.00 C ATOM 1285 C7 DT C 17 13.799 21.373 4.231 1.00 1.00 C ATOM 1286 C6 DT C 17 13.323 21.845 1.847 1.00 1.00 C ATOM 0 H5' DT C 17 15.976 24.895 -1.193 1.00 1.00 H new ATOM 0 H5'' DT C 17 14.923 26.198 -1.708 1.00 1.00 H new ATOM 0 H4' DT C 17 14.019 24.211 -2.527 1.00 1.00 H new ATOM 0 H3' DT C 17 12.360 25.769 -0.750 1.00 1.00 H new ATOM 0 H2' DT C 17 12.154 24.025 0.880 1.00 1.00 H new ATOM 0 H2'' DT C 17 10.937 23.487 -0.260 1.00 1.00 H new ATOM 0 H1' DT C 17 12.424 21.961 -1.347 1.00 1.00 H new ATOM 0 H3 DT C 17 12.785 18.242 1.001 1.00 1.00 H new ATOM 0 H71 DT C 17 14.386 22.290 4.183 1.00 1.00 H new ATOM 0 H72 DT C 17 12.879 21.559 4.785 1.00 1.00 H new ATOM 0 H73 DT C 17 14.376 20.599 4.737 1.00 1.00 H new ATOM 0 H6 DT C 17 13.477 22.888 2.080 1.00 1.00 H new ATOM 1299 P DA C 18 10.188 25.310 -2.450 1.00 1.00 P ATOM 1300 OP1 DA C 18 9.901 25.681 -3.866 1.00 1.00 O ATOM 1301 OP2 DA C 18 9.955 26.328 -1.387 1.00 1.00 O ATOM 1302 O5' DA C 18 9.336 23.982 -2.083 1.00 1.00 O ATOM 1303 C5' DA C 18 9.424 22.818 -2.896 1.00 1.00 C ATOM 1304 C4' DA C 18 8.556 21.651 -2.408 1.00 1.00 C ATOM 1305 O4' DA C 18 9.188 20.906 -1.383 1.00 1.00 O ATOM 1306 C3' DA C 18 7.157 22.045 -1.915 1.00 1.00 C ATOM 1307 O3' DA C 18 6.251 21.446 -2.834 1.00 1.00 O ATOM 1308 C2' DA C 18 7.156 21.522 -0.474 1.00 1.00 C ATOM 1309 C1' DA C 18 8.188 20.402 -0.520 1.00 1.00 C ATOM 1310 N9 DA C 18 8.838 20.045 0.757 1.00 1.00 N ATOM 1311 C8 DA C 18 9.228 20.865 1.781 1.00 1.00 C ATOM 1312 N7 DA C 18 9.794 20.246 2.790 1.00 1.00 N ATOM 1313 C5 DA C 18 9.751 18.900 2.392 1.00 1.00 C ATOM 1314 C6 DA C 18 10.124 17.656 2.969 1.00 1.00 C ATOM 1315 N6 DA C 18 10.637 17.468 4.173 1.00 1.00 N ATOM 1316 N1 DA C 18 9.977 16.515 2.300 1.00 1.00 N ATOM 1317 C2 DA C 18 9.488 16.570 1.077 1.00 1.00 C ATOM 1318 N3 DA C 18 9.062 17.635 0.415 1.00 1.00 N ATOM 1319 C4 DA C 18 9.213 18.779 1.138 1.00 1.00 C ATOM 0 H5' DA C 18 10.464 22.493 -2.936 1.00 1.00 H new ATOM 0 H5'' DA C 18 9.131 23.075 -3.914 1.00 1.00 H new ATOM 0 H4' DA C 18 8.432 21.045 -3.305 1.00 1.00 H new ATOM 0 H3' DA C 18 6.874 23.097 -1.887 1.00 1.00 H new ATOM 0 H2' DA C 18 7.434 22.299 0.238 1.00 1.00 H new ATOM 0 H2'' DA C 18 6.173 21.155 -0.178 1.00 1.00 H new ATOM 0 H1' DA C 18 7.682 19.487 -0.826 1.00 1.00 H new ATOM 0 H8 DA C 18 9.082 21.935 1.760 1.00 1.00 H new ATOM 0 H61 DA C 18 10.869 16.526 4.487 1.00 1.00 H new ATOM 0 H62 DA C 18 10.801 18.265 4.788 1.00 1.00 H new ATOM 0 H2 DA C 18 9.427 15.630 0.549 1.00 1.00 H new ATOM 1331 P DT C 19 4.668 21.531 -2.694 1.00 1.00 P ATOM 1332 OP1 DT C 19 4.100 21.204 -4.019 1.00 1.00 O ATOM 1333 OP2 DT C 19 4.256 22.768 -2.001 1.00 1.00 O ATOM 1334 O5' DT C 19 4.414 20.273 -1.796 1.00 1.00 O ATOM 1335 C5' DT C 19 4.688 18.962 -2.265 1.00 1.00 C ATOM 1336 C4' DT C 19 4.133 17.958 -1.259 1.00 1.00 C ATOM 1337 O4' DT C 19 5.105 17.794 -0.242 1.00 1.00 O ATOM 1338 C3' DT C 19 2.837 18.460 -0.584 1.00 1.00 C ATOM 1339 O3' DT C 19 1.870 17.454 -0.442 1.00 1.00 O ATOM 1340 C2' DT C 19 3.321 18.874 0.788 1.00 1.00 C ATOM 1341 C1' DT C 19 4.422 17.831 0.985 1.00 1.00 C ATOM 1342 N1 DT C 19 5.387 18.088 2.076 1.00 1.00 N ATOM 1343 C2 DT C 19 5.823 16.991 2.826 1.00 1.00 C ATOM 1344 O2 DT C 19 5.499 15.827 2.599 1.00 1.00 O ATOM 1345 N3 DT C 19 6.638 17.269 3.893 1.00 1.00 N ATOM 1346 C4 DT C 19 6.975 18.520 4.349 1.00 1.00 C ATOM 1347 O4 DT C 19 7.671 18.601 5.359 1.00 1.00 O ATOM 1348 C5 DT C 19 6.456 19.626 3.542 1.00 1.00 C ATOM 1349 C7 DT C 19 6.712 21.070 3.945 1.00 1.00 C ATOM 1350 C6 DT C 19 5.732 19.373 2.422 1.00 1.00 C ATOM 0 H5' DT C 19 5.762 18.821 -2.387 1.00 1.00 H new ATOM 0 H5'' DT C 19 4.233 18.808 -3.243 1.00 1.00 H new ATOM 0 H4' DT C 19 3.907 17.032 -1.788 1.00 1.00 H new ATOM 0 H3' DT C 19 2.357 19.245 -1.168 1.00 1.00 H new ATOM 0 H2' DT C 19 3.701 19.895 0.809 1.00 1.00 H new ATOM 0 H2'' DT C 19 2.540 18.809 1.546 1.00 1.00 H new ATOM 0 H1' DT C 19 3.950 16.895 1.284 1.00 1.00 H new ATOM 0 H3 DT C 19 7.031 16.473 4.395 1.00 1.00 H new ATOM 0 H71 DT C 19 6.750 21.695 3.053 1.00 1.00 H new ATOM 0 H72 DT C 19 5.908 21.414 4.596 1.00 1.00 H new ATOM 0 H73 DT C 19 7.662 21.137 4.475 1.00 1.00 H new ATOM 0 H6 DT C 19 5.422 20.194 1.793 1.00 1.00 H new ATOM 1363 P DA C 20 0.855 17.123 -1.642 1.00 1.00 P ATOM 1364 OP1 DA C 20 1.644 17.070 -2.899 1.00 1.00 O ATOM 1365 OP2 DA C 20 -0.287 18.074 -1.565 1.00 1.00 O ATOM 1366 O5' DA C 20 0.420 15.653 -1.175 1.00 1.00 O ATOM 1367 C5' DA C 20 -0.320 15.502 0.022 1.00 1.00 C ATOM 1368 C4' DA C 20 -0.021 14.172 0.705 1.00 1.00 C ATOM 1369 O4' DA C 20 1.247 14.242 1.358 1.00 1.00 O ATOM 1370 C3' DA C 20 -1.098 13.978 1.770 1.00 1.00 C ATOM 1371 O3' DA C 20 -1.536 12.628 1.830 1.00 1.00 O ATOM 1372 C2' DA C 20 -0.372 14.498 3.005 1.00 1.00 C ATOM 1373 C1' DA C 20 1.095 14.174 2.764 1.00 1.00 C ATOM 1374 N9 DA C 20 1.950 15.184 3.437 1.00 1.00 N ATOM 1375 C8 DA C 20 2.073 16.514 3.106 1.00 1.00 C ATOM 1376 N7 DA C 20 2.788 17.227 3.931 1.00 1.00 N ATOM 1377 C5 DA C 20 3.188 16.278 4.879 1.00 1.00 C ATOM 1378 C6 DA C 20 3.992 16.332 6.040 1.00 1.00 C ATOM 1379 N6 DA C 20 4.576 17.434 6.471 1.00 1.00 N ATOM 1380 N1 DA C 20 4.226 15.250 6.785 1.00 1.00 N ATOM 1381 C2 DA C 20 3.674 14.115 6.381 1.00 1.00 C ATOM 1382 N3 DA C 20 2.885 13.898 5.330 1.00 1.00 N ATOM 1383 C4 DA C 20 2.687 15.034 4.597 1.00 1.00 C ATOM 0 H5' DA C 20 -1.386 15.567 -0.198 1.00 1.00 H new ATOM 0 H5'' DA C 20 -0.085 16.321 0.701 1.00 1.00 H new ATOM 0 H4' DA C 20 -0.007 13.358 -0.020 1.00 1.00 H new ATOM 0 H3' DA C 20 -2.041 14.499 1.602 1.00 1.00 H new ATOM 0 H2' DA C 20 -0.524 15.570 3.130 1.00 1.00 H new ATOM 0 H2'' DA C 20 -0.739 14.016 3.911 1.00 1.00 H new ATOM 0 H1' DA C 20 1.386 13.200 3.158 1.00 1.00 H new ATOM 0 H8 DA C 20 1.611 16.937 2.226 1.00 1.00 H new ATOM 0 H61 DA C 20 5.146 17.412 7.317 1.00 1.00 H new ATOM 0 H62 DA C 20 4.458 18.308 5.958 1.00 1.00 H new ATOM 0 H2 DA C 20 3.894 13.248 6.986 1.00 1.00 H new ATOM 1395 P DT C 21 -2.882 12.225 2.623 1.00 1.00 P ATOM 1396 OP1 DT C 21 -3.386 10.934 2.090 1.00 1.00 O ATOM 1397 OP2 DT C 21 -3.795 13.401 2.589 1.00 1.00 O ATOM 1398 O5' DT C 21 -2.344 12.007 4.121 1.00 1.00 O ATOM 1399 C5' DT C 21 -1.433 10.952 4.395 1.00 1.00 C ATOM 1400 C4' DT C 21 -1.175 10.740 5.889 1.00 1.00 C ATOM 1401 O4' DT C 21 -0.272 11.719 6.381 1.00 1.00 O ATOM 1402 C3' DT C 21 -2.445 10.802 6.733 1.00 1.00 C ATOM 1403 O3' DT C 21 -2.355 9.767 7.699 1.00 1.00 O ATOM 1404 C2' DT C 21 -2.396 12.207 7.316 1.00 1.00 C ATOM 1405 C1' DT C 21 -0.889 12.436 7.435 1.00 1.00 C ATOM 1406 N1 DT C 21 -0.406 13.844 7.364 1.00 1.00 N ATOM 1407 C2 DT C 21 0.685 14.182 8.180 1.00 1.00 C ATOM 1408 O2 DT C 21 1.256 13.380 8.921 1.00 1.00 O ATOM 1409 N3 DT C 21 1.151 15.471 8.109 1.00 1.00 N ATOM 1410 C4 DT C 21 0.672 16.440 7.257 1.00 1.00 C ATOM 1411 O4 DT C 21 1.233 17.533 7.238 1.00 1.00 O ATOM 1412 C5 DT C 21 -0.451 16.032 6.416 1.00 1.00 C ATOM 1413 C7 DT C 21 -1.067 17.027 5.447 1.00 1.00 C ATOM 1414 C6 DT C 21 -0.943 14.766 6.481 1.00 1.00 C ATOM 0 H5' DT C 21 -0.486 11.162 3.897 1.00 1.00 H new ATOM 0 H5'' DT C 21 -1.820 10.028 3.967 1.00 1.00 H new ATOM 0 H4' DT C 21 -0.754 9.738 5.977 1.00 1.00 H new ATOM 0 H3' DT C 21 -3.390 10.646 6.213 1.00 1.00 H new ATOM 0 H2' DT C 21 -2.872 12.939 6.663 1.00 1.00 H new ATOM 0 H2'' DT C 21 -2.898 12.268 8.282 1.00 1.00 H new ATOM 0 H1' DT C 21 -0.628 12.103 8.439 1.00 1.00 H new ATOM 0 H3 DT C 21 1.912 15.731 8.737 1.00 1.00 H new ATOM 0 H71 DT C 21 -1.468 16.495 4.584 1.00 1.00 H new ATOM 0 H72 DT C 21 -1.871 17.569 5.944 1.00 1.00 H new ATOM 0 H73 DT C 21 -0.305 17.732 5.116 1.00 1.00 H new ATOM 0 H6 DT C 21 -1.761 14.477 5.838 1.00 1.00 H new ATOM 1427 P DG C 22 -3.561 9.374 8.664 1.00 1.00 P ATOM 1428 OP1 DG C 22 -3.376 7.940 8.997 1.00 1.00 O ATOM 1429 OP2 DG C 22 -4.853 9.795 8.073 1.00 1.00 O ATOM 1430 O5' DG C 22 -3.244 10.253 9.961 1.00 1.00 O ATOM 1431 C5' DG C 22 -2.137 9.933 10.789 1.00 1.00 C ATOM 1432 C4' DG C 22 -1.847 10.996 11.851 1.00 1.00 C ATOM 1433 O4' DG C 22 -1.253 12.145 11.255 1.00 1.00 O ATOM 1434 C3' DG C 22 -3.094 11.442 12.643 1.00 1.00 C ATOM 1435 O3' DG C 22 -2.841 11.263 14.035 1.00 1.00 O ATOM 1436 C2' DG C 22 -3.223 12.900 12.201 1.00 1.00 C ATOM 1437 C1' DG C 22 -1.767 13.263 11.946 1.00 1.00 C ATOM 1438 N9 DG C 22 -1.596 14.501 11.169 1.00 1.00 N ATOM 1439 C8 DG C 22 -2.231 14.865 10.016 1.00 1.00 C ATOM 1440 N7 DG C 22 -1.870 16.031 9.548 1.00 1.00 N ATOM 1441 C5 DG C 22 -0.942 16.490 10.497 1.00 1.00 C ATOM 1442 C6 DG C 22 -0.189 17.717 10.594 1.00 1.00 C ATOM 1443 O6 DG C 22 -0.121 18.656 9.803 1.00 1.00 O ATOM 1444 N1 DG C 22 0.546 17.820 11.754 1.00 1.00 N ATOM 1445 C2 DG C 22 0.600 16.853 12.696 1.00 1.00 C ATOM 1446 N2 DG C 22 1.321 17.101 13.752 1.00 1.00 N ATOM 1447 N3 DG C 22 -0.029 15.683 12.633 1.00 1.00 N ATOM 1448 C4 DG C 22 -0.796 15.564 11.509 1.00 1.00 C ATOM 0 H5' DG C 22 -1.252 9.801 10.166 1.00 1.00 H new ATOM 0 H5'' DG C 22 -2.325 8.979 11.282 1.00 1.00 H new ATOM 0 H4' DG C 22 -1.163 10.524 12.557 1.00 1.00 H new ATOM 0 H3' DG C 22 -4.017 10.890 12.465 1.00 1.00 H new ATOM 0 H2' DG C 22 -3.836 13.006 11.306 1.00 1.00 H new ATOM 0 H2'' DG C 22 -3.674 13.525 12.972 1.00 1.00 H new ATOM 0 H1' DG C 22 -1.244 13.471 12.879 1.00 1.00 H new ATOM 0 H8 DG C 22 -2.969 14.242 9.532 1.00 1.00 H new ATOM 0 H1 DG C 22 1.080 18.675 11.911 1.00 1.00 H new ATOM 0 H21 DG C 22 1.396 16.405 14.494 1.00 1.00 H new ATOM 0 H22 DG C 22 1.811 17.992 13.837 1.00 1.00 H new ATOM 1460 P DC C 23 -3.934 11.569 15.197 1.00 1.00 P ATOM 1461 OP1 DC C 23 -3.910 10.432 16.159 1.00 1.00 O ATOM 1462 OP2 DC C 23 -5.238 11.952 14.582 1.00 1.00 O ATOM 1463 O5' DC C 23 -3.306 12.877 15.923 1.00 1.00 O ATOM 1464 C5' DC C 23 -2.038 12.809 16.580 1.00 1.00 C ATOM 1465 C4' DC C 23 -1.619 14.111 17.291 1.00 1.00 C ATOM 1466 O4' DC C 23 -1.268 15.114 16.339 1.00 1.00 O ATOM 1467 C3' DC C 23 -2.718 14.662 18.218 1.00 1.00 C ATOM 1468 O3' DC C 23 -2.165 15.055 19.478 1.00 1.00 O ATOM 1469 C2' DC C 23 -3.282 15.812 17.383 1.00 1.00 C ATOM 1470 C1' DC C 23 -2.082 16.256 16.541 1.00 1.00 C ATOM 1471 N1 DC C 23 -2.452 16.839 15.226 1.00 1.00 N ATOM 1472 C2 DC C 23 -1.944 18.086 14.831 1.00 1.00 C ATOM 1473 O2 DC C 23 -1.225 18.769 15.562 1.00 1.00 O ATOM 1474 N3 DC C 23 -2.241 18.599 13.611 1.00 1.00 N ATOM 1475 C4 DC C 23 -3.024 17.897 12.818 1.00 1.00 C ATOM 1476 N4 DC C 23 -3.235 18.415 11.642 1.00 1.00 N ATOM 1477 C5 DC C 23 -3.576 16.630 13.157 1.00 1.00 C ATOM 1478 C6 DC C 23 -3.262 16.135 14.380 1.00 1.00 C ATOM 0 H5' DC C 23 -1.276 12.549 15.846 1.00 1.00 H new ATOM 0 H5'' DC C 23 -2.064 12.002 17.312 1.00 1.00 H new ATOM 0 H4' DC C 23 -0.755 13.858 17.906 1.00 1.00 H new ATOM 0 H3' DC C 23 -3.494 13.952 18.502 1.00 1.00 H new ATOM 0 H2' DC C 23 -4.113 15.486 16.758 1.00 1.00 H new ATOM 0 H2'' DC C 23 -3.654 16.621 18.012 1.00 1.00 H new ATOM 0 H1' DC C 23 -1.565 17.050 17.081 1.00 1.00 H new ATOM 0 H41 DC C 23 -3.831 17.930 10.971 1.00 1.00 H new ATOM 0 H42 DC C 23 -2.804 19.305 11.392 1.00 1.00 H new ATOM 0 H5 DC C 23 -4.214 16.089 12.474 1.00 1.00 H new ATOM 0 H6 DC C 23 -3.655 15.177 14.688 1.00 1.00 H new ATOM 1490 P DG C 24 -3.096 15.387 20.768 1.00 1.00 P ATOM 1491 OP1 DG C 24 -2.234 15.327 21.983 1.00 1.00 O ATOM 1492 OP2 DG C 24 -4.313 14.527 20.726 1.00 1.00 O ATOM 1493 O5' DG C 24 -3.549 16.925 20.538 1.00 1.00 O ATOM 1494 C5' DG C 24 -2.617 17.992 20.672 1.00 1.00 C ATOM 1495 C4' DG C 24 -3.101 19.306 20.036 1.00 1.00 C ATOM 1496 O4' DG C 24 -3.050 19.254 18.620 1.00 1.00 O ATOM 1497 C3' DG C 24 -4.536 19.732 20.395 1.00 1.00 C ATOM 1498 O3' DG C 24 -4.600 20.562 21.555 1.00 1.00 O ATOM 1499 C2' DG C 24 -4.982 20.509 19.155 1.00 1.00 C ATOM 1500 C1' DG C 24 -3.832 20.336 18.156 1.00 1.00 C ATOM 1501 N9 DG C 24 -4.310 20.099 16.782 1.00 1.00 N ATOM 1502 C8 DG C 24 -5.095 19.075 16.330 1.00 1.00 C ATOM 1503 N7 DG C 24 -5.440 19.174 15.070 1.00 1.00 N ATOM 1504 C5 DG C 24 -4.836 20.376 14.660 1.00 1.00 C ATOM 1505 C6 DG C 24 -4.842 21.085 13.402 1.00 1.00 C ATOM 1506 O6 DG C 24 -5.382 20.795 12.334 1.00 1.00 O ATOM 1507 N1 DG C 24 -4.139 22.274 13.436 1.00 1.00 N ATOM 1508 C2 DG C 24 -3.500 22.742 14.533 1.00 1.00 C ATOM 1509 N2 DG C 24 -2.892 23.889 14.426 1.00 1.00 N ATOM 1510 N3 DG C 24 -3.461 22.130 15.711 1.00 1.00 N ATOM 1511 C4 DG C 24 -4.145 20.945 15.711 1.00 1.00 C ATOM 0 H5' DG C 24 -1.673 17.700 20.212 1.00 1.00 H new ATOM 0 H5'' DG C 24 -2.418 18.160 21.730 1.00 1.00 H new ATOM 0 H4' DG C 24 -2.409 20.037 20.455 1.00 1.00 H new ATOM 0 H3' DG C 24 -5.164 18.875 20.639 1.00 1.00 H new ATOM 0 H2' DG C 24 -5.917 20.115 18.756 1.00 1.00 H new ATOM 0 H2'' DG C 24 -5.152 21.561 19.386 1.00 1.00 H new ATOM 0 HO3' DG C 24 -5.533 20.803 21.734 1.00 1.00 H new ATOM 0 H1' DG C 24 -3.245 21.253 18.102 1.00 1.00 H new ATOM 0 H8 DG C 24 -5.405 18.253 16.959 1.00 1.00 H new ATOM 0 H1 DG C 24 -4.099 22.832 12.583 1.00 1.00 H new ATOM 0 H21 DG C 24 -2.397 24.281 15.227 1.00 1.00 H new ATOM 0 H22 DG C 24 -2.911 24.395 13.541 1.00 1.00 H new TER 1524 DG C 24