USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=17 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 K(o=0,f=-1.2) USER MOD Set 1.2: A 121 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 87 ASN : amide:sc= 1.93 K(o=2.1,f=-8.7!) USER MOD Set 2.2: A 90 THR OG1 : rot 166:sc= 0.155 USER MOD Single : A 81 LYS NZ :NH3+ 169:sc= 1.21 (180deg=0.866) USER MOD Single : A 83 LYS NZ :NH3+ 139:sc= 1.37 (180deg=-0.318!) USER MOD Single : A 85 TYR OH : rot 2:sc= 0.0538 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.209 USER MOD Single : A 97 LYS NZ :NH3+ 169:sc= 1.2 (180deg=1.05) USER MOD Single : A 100 ASN : amide:sc= 0.109 K(o=0.11,f=-1.2) USER MOD Single : A 101 HIS : no HE2:sc= 0.829 K(o=0.83,f=-2.5!) USER MOD Single : A 102 LYS NZ :NH3+ 178:sc= 1.25 (180deg=1.23) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -160:sc= 1.19 (180deg=0.549) USER MOD Single : A 108 LYS NZ :NH3+ -141:sc= 2.33 (180deg=-0.62) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot 87:sc= 1.26 USER MOD Single : A 125 HIS : no HD1:sc= -0.237 K(o=-0.24,f=-1.1) 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 150:sc= -0.307 (180deg=-0.307) 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= -0.2 (180deg=-0.2) USER MOD Single : C 21 DT C7 :methyl 150:sc= -1.06 (180deg=-1.06) USER MOD Single : C 24 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 79 -0.828 6.895 9.548 1.00 1.00 N ATOM 2 CA ALA A 79 0.222 6.155 8.794 1.00 1.00 C ATOM 3 C ALA A 79 0.585 6.877 7.496 1.00 1.00 C ATOM 4 O ALA A 79 -0.215 7.639 6.966 1.00 1.00 O ATOM 5 CB ALA A 79 -0.262 4.721 8.513 1.00 1.00 C ATOM 0 HA ALA A 79 1.126 6.112 9.401 1.00 1.00 H new ATOM 0 HB1 ALA A 79 0.506 4.179 7.961 1.00 1.00 H new ATOM 0 HB2 ALA A 79 -0.458 4.212 9.457 1.00 1.00 H new ATOM 0 HB3 ALA A 79 -1.177 4.755 7.922 1.00 1.00 H new ATOM 11 N ARG A 80 1.780 6.622 6.954 1.00 1.00 N ATOM 12 CA ARG A 80 2.295 7.137 5.659 1.00 1.00 C ATOM 13 C ARG A 80 1.562 6.543 4.433 1.00 1.00 C ATOM 14 O ARG A 80 2.169 5.931 3.558 1.00 1.00 O ATOM 15 CB ARG A 80 3.830 6.953 5.617 1.00 1.00 C ATOM 16 CG ARG A 80 4.520 7.848 6.664 1.00 1.00 C ATOM 17 CD ARG A 80 4.622 9.315 6.227 1.00 1.00 C ATOM 18 NE ARG A 80 4.477 10.234 7.376 1.00 1.00 N ATOM 19 CZ ARG A 80 3.402 10.931 7.698 1.00 1.00 C ATOM 20 NH1 ARG A 80 2.349 10.961 6.936 1.00 1.00 N ATOM 21 NH2 ARG A 80 3.368 11.653 8.774 1.00 1.00 N ATOM 0 H ARG A 80 2.458 6.021 7.423 1.00 1.00 H new ATOM 0 HA ARG A 80 2.079 8.203 5.594 1.00 1.00 H new ATOM 0 HB2 ARG A 80 4.080 5.909 5.804 1.00 1.00 H new ATOM 0 HB3 ARG A 80 4.202 7.197 4.622 1.00 1.00 H new ATOM 0 HG2 ARG A 80 3.968 7.792 7.602 1.00 1.00 H new ATOM 0 HG3 ARG A 80 5.521 7.463 6.860 1.00 1.00 H new ATOM 0 HD2 ARG A 80 5.583 9.485 5.743 1.00 1.00 H new ATOM 0 HD3 ARG A 80 3.850 9.530 5.488 1.00 1.00 H new ATOM 0 HE ARG A 80 5.290 10.341 7.982 1.00 1.00 H new ATOM 0 HH11 ARG A 80 2.337 10.436 6.061 1.00 1.00 H new ATOM 0 HH12 ARG A 80 1.535 11.509 7.213 1.00 1.00 H new ATOM 0 HH21 ARG A 80 4.181 11.690 9.389 1.00 1.00 H new ATOM 0 HH22 ARG A 80 2.529 12.184 9.005 1.00 1.00 H new ATOM 35 N LYS A 81 0.235 6.700 4.402 1.00 1.00 N ATOM 36 CA LYS A 81 -0.708 6.289 3.363 1.00 1.00 C ATOM 37 C LYS A 81 -0.318 6.884 2.015 1.00 1.00 C ATOM 38 O LYS A 81 -0.097 8.083 1.865 1.00 1.00 O ATOM 39 CB LYS A 81 -2.121 6.759 3.759 1.00 1.00 C ATOM 40 CG LYS A 81 -2.732 5.957 4.925 1.00 1.00 C ATOM 41 CD LYS A 81 -3.798 6.767 5.680 1.00 1.00 C ATOM 42 CE LYS A 81 -4.546 5.858 6.672 1.00 1.00 C ATOM 43 NZ LYS A 81 -5.315 6.647 7.673 1.00 1.00 N ATOM 0 H LYS A 81 -0.248 7.160 5.174 1.00 1.00 H new ATOM 0 HA LYS A 81 -0.690 5.203 3.270 1.00 1.00 H new ATOM 0 HB2 LYS A 81 -2.081 7.813 4.035 1.00 1.00 H new ATOM 0 HB3 LYS A 81 -2.777 6.682 2.892 1.00 1.00 H new ATOM 0 HG2 LYS A 81 -3.178 5.040 4.541 1.00 1.00 H new ATOM 0 HG3 LYS A 81 -1.942 5.662 5.616 1.00 1.00 H new ATOM 0 HD2 LYS A 81 -3.328 7.593 6.214 1.00 1.00 H new ATOM 0 HD3 LYS A 81 -4.503 7.205 4.973 1.00 1.00 H new ATOM 0 HE2 LYS A 81 -5.225 5.204 6.125 1.00 1.00 H new ATOM 0 HE3 LYS A 81 -3.831 5.216 7.187 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -5.948 6.014 8.202 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 -4.656 7.108 8.332 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -5.879 7.371 7.185 1.00 1.00 H new ATOM 57 N VAL A 82 -0.251 5.993 1.043 1.00 1.00 N ATOM 58 CA VAL A 82 -0.030 6.312 -0.370 1.00 1.00 C ATOM 59 C VAL A 82 -1.269 6.962 -0.979 1.00 1.00 C ATOM 60 O VAL A 82 -2.390 6.478 -0.815 1.00 1.00 O ATOM 61 CB VAL A 82 0.300 5.037 -1.173 1.00 1.00 C ATOM 62 CG1 VAL A 82 0.430 5.305 -2.684 1.00 1.00 C ATOM 63 CG2 VAL A 82 1.584 4.393 -0.647 1.00 1.00 C ATOM 0 H VAL A 82 -0.351 4.992 1.213 1.00 1.00 H new ATOM 0 HA VAL A 82 0.810 7.005 -0.420 1.00 1.00 H new ATOM 0 HB VAL A 82 -0.538 4.353 -1.035 1.00 1.00 H new ATOM 0 HG11 VAL A 82 0.663 4.374 -3.200 1.00 1.00 H new ATOM 0 HG12 VAL A 82 -0.509 5.706 -3.065 1.00 1.00 H new ATOM 0 HG13 VAL A 82 1.229 6.026 -2.858 1.00 1.00 H new ATOM 0 HG21 VAL A 82 1.803 3.495 -1.224 1.00 1.00 H new ATOM 0 HG22 VAL A 82 2.410 5.097 -0.744 1.00 1.00 H new ATOM 0 HG23 VAL A 82 1.455 4.128 0.402 1.00 1.00 H new ATOM 73 N LYS A 83 -1.053 8.030 -1.741 1.00 1.00 N ATOM 74 CA LYS A 83 -2.046 8.640 -2.608 1.00 1.00 C ATOM 75 C LYS A 83 -1.624 8.338 -4.034 1.00 1.00 C ATOM 76 O LYS A 83 -0.497 8.632 -4.439 1.00 1.00 O ATOM 77 CB LYS A 83 -2.161 10.161 -2.428 1.00 1.00 C ATOM 78 CG LYS A 83 -3.319 10.553 -1.503 1.00 1.00 C ATOM 79 CD LYS A 83 -3.330 12.076 -1.329 1.00 1.00 C ATOM 80 CE LYS A 83 -4.615 12.585 -0.685 1.00 1.00 C ATOM 81 NZ LYS A 83 -4.407 13.911 -0.063 1.00 1.00 N ATOM 0 H LYS A 83 -0.152 8.507 -1.770 1.00 1.00 H new ATOM 0 HA LYS A 83 -3.025 8.230 -2.359 1.00 1.00 H new ATOM 0 HB2 LYS A 83 -1.227 10.548 -2.021 1.00 1.00 H new ATOM 0 HB3 LYS A 83 -2.302 10.630 -3.402 1.00 1.00 H new ATOM 0 HG2 LYS A 83 -4.266 10.216 -1.923 1.00 1.00 H new ATOM 0 HG3 LYS A 83 -3.208 10.065 -0.535 1.00 1.00 H new ATOM 0 HD2 LYS A 83 -2.479 12.374 -0.717 1.00 1.00 H new ATOM 0 HD3 LYS A 83 -3.204 12.550 -2.302 1.00 1.00 H new ATOM 0 HE2 LYS A 83 -5.401 12.651 -1.437 1.00 1.00 H new ATOM 0 HE3 LYS A 83 -4.954 11.875 0.069 1.00 1.00 H new ATOM 0 HZ1 LYS A 83 -5.230 14.517 -0.254 1.00 1.00 H new ATOM 0 HZ2 LYS A 83 -4.292 13.798 0.964 1.00 1.00 H new ATOM 0 HZ3 LYS A 83 -3.553 14.351 -0.461 1.00 1.00 H new ATOM 95 N GLN A 84 -2.506 7.678 -4.775 1.00 1.00 N ATOM 96 CA GLN A 84 -2.346 7.557 -6.203 1.00 1.00 C ATOM 97 C GLN A 84 -2.944 8.852 -6.750 1.00 1.00 C ATOM 98 O GLN A 84 -3.960 9.340 -6.251 1.00 1.00 O ATOM 99 CB GLN A 84 -3.029 6.289 -6.757 1.00 1.00 C ATOM 100 CG GLN A 84 -3.748 6.457 -8.099 1.00 1.00 C ATOM 101 CD GLN A 84 -4.356 5.139 -8.577 1.00 1.00 C ATOM 102 OE1 GLN A 84 -5.551 4.911 -8.480 1.00 1.00 O ATOM 103 NE2 GLN A 84 -3.563 4.223 -9.096 1.00 1.00 N ATOM 0 H GLN A 84 -3.338 7.221 -4.402 1.00 1.00 H new ATOM 0 HA GLN A 84 -1.305 7.436 -6.504 1.00 1.00 H new ATOM 0 HB2 GLN A 84 -2.275 5.509 -6.864 1.00 1.00 H new ATOM 0 HB3 GLN A 84 -3.750 5.935 -6.020 1.00 1.00 H new ATOM 0 HG2 GLN A 84 -4.533 7.207 -8.001 1.00 1.00 H new ATOM 0 HG3 GLN A 84 -3.045 6.827 -8.846 1.00 1.00 H new ATOM 0 HE21 GLN A 84 -2.563 4.404 -9.182 1.00 1.00 H new ATOM 0 HE22 GLN A 84 -3.950 3.334 -9.412 1.00 1.00 H new ATOM 112 N TYR A 85 -2.345 9.365 -7.809 1.00 1.00 N ATOM 113 CA TYR A 85 -2.847 10.523 -8.538 1.00 1.00 C ATOM 114 C TYR A 85 -2.940 10.143 -10.015 1.00 1.00 C ATOM 115 O TYR A 85 -2.046 9.472 -10.522 1.00 1.00 O ATOM 116 CB TYR A 85 -1.906 11.715 -8.309 1.00 1.00 C ATOM 117 CG TYR A 85 -1.667 12.116 -6.866 1.00 1.00 C ATOM 118 CD1 TYR A 85 -2.548 13.023 -6.252 1.00 1.00 C ATOM 119 CD2 TYR A 85 -0.534 11.650 -6.166 1.00 1.00 C ATOM 120 CE1 TYR A 85 -2.295 13.493 -4.951 1.00 1.00 C ATOM 121 CE2 TYR A 85 -0.273 12.115 -4.864 1.00 1.00 C ATOM 122 CZ TYR A 85 -1.144 13.052 -4.261 1.00 1.00 C ATOM 123 OH TYR A 85 -0.877 13.522 -3.015 1.00 1.00 O ATOM 0 H TYR A 85 -1.481 8.985 -8.196 1.00 1.00 H new ATOM 0 HA TYR A 85 -3.836 10.818 -8.188 1.00 1.00 H new ATOM 0 HB2 TYR A 85 -0.943 11.483 -8.763 1.00 1.00 H new ATOM 0 HB3 TYR A 85 -2.310 12.576 -8.841 1.00 1.00 H new ATOM 0 HD1 TYR A 85 -3.425 13.361 -6.783 1.00 1.00 H new ATOM 0 HD2 TYR A 85 0.132 10.937 -6.629 1.00 1.00 H new ATOM 0 HE1 TYR A 85 -2.977 14.187 -4.482 1.00 1.00 H new ATOM 0 HE2 TYR A 85 0.592 11.757 -4.325 1.00 1.00 H new ATOM 0 HH TYR A 85 -1.595 14.126 -2.732 1.00 1.00 H new ATOM 133 N LYS A 86 -3.994 10.570 -10.711 1.00 1.00 N ATOM 134 CA LYS A 86 -4.210 10.318 -12.142 1.00 1.00 C ATOM 135 C LYS A 86 -4.584 11.620 -12.840 1.00 1.00 C ATOM 136 O LYS A 86 -5.409 12.373 -12.339 1.00 1.00 O ATOM 137 CB LYS A 86 -5.298 9.240 -12.298 1.00 1.00 C ATOM 138 CG LYS A 86 -5.697 9.013 -13.770 1.00 1.00 C ATOM 139 CD LYS A 86 -6.513 7.724 -13.918 1.00 1.00 C ATOM 140 CE LYS A 86 -6.817 7.452 -15.400 1.00 1.00 C ATOM 141 NZ LYS A 86 -7.648 6.227 -15.579 1.00 1.00 N ATOM 0 H LYS A 86 -4.744 11.116 -10.286 1.00 1.00 H new ATOM 0 HA LYS A 86 -3.298 9.949 -12.612 1.00 1.00 H new ATOM 0 HB2 LYS A 86 -4.940 8.302 -11.873 1.00 1.00 H new ATOM 0 HB3 LYS A 86 -6.179 9.532 -11.727 1.00 1.00 H new ATOM 0 HG2 LYS A 86 -6.280 9.861 -14.129 1.00 1.00 H new ATOM 0 HG3 LYS A 86 -4.802 8.956 -14.390 1.00 1.00 H new ATOM 0 HD2 LYS A 86 -5.961 6.885 -13.493 1.00 1.00 H new ATOM 0 HD3 LYS A 86 -7.444 7.809 -13.358 1.00 1.00 H new ATOM 0 HE2 LYS A 86 -7.337 8.309 -15.828 1.00 1.00 H new ATOM 0 HE3 LYS A 86 -5.882 7.340 -15.948 1.00 1.00 H new ATOM 0 HZ1 LYS A 86 -7.832 6.077 -16.592 1.00 1.00 H new ATOM 0 HZ2 LYS A 86 -7.141 5.405 -15.194 1.00 1.00 H new ATOM 0 HZ3 LYS A 86 -8.551 6.344 -15.077 1.00 1.00 H new ATOM 155 N ASN A 87 -3.979 11.885 -13.991 1.00 1.00 N ATOM 156 CA ASN A 87 -4.131 13.151 -14.701 1.00 1.00 C ATOM 157 C ASN A 87 -5.148 13.037 -15.858 1.00 1.00 C ATOM 158 O ASN A 87 -4.838 12.408 -16.873 1.00 1.00 O ATOM 159 CB ASN A 87 -2.743 13.589 -15.170 1.00 1.00 C ATOM 160 CG ASN A 87 -2.728 14.975 -15.783 1.00 1.00 C ATOM 161 OD1 ASN A 87 -3.693 15.447 -16.365 1.00 1.00 O ATOM 162 ND2 ASN A 87 -1.644 15.690 -15.637 1.00 1.00 N ATOM 0 H ASN A 87 -3.364 11.222 -14.463 1.00 1.00 H new ATOM 0 HA ASN A 87 -4.542 13.913 -14.039 1.00 1.00 H new ATOM 0 HB2 ASN A 87 -2.057 13.566 -14.323 1.00 1.00 H new ATOM 0 HB3 ASN A 87 -2.371 12.872 -15.901 1.00 1.00 H new ATOM 0 HD21 ASN A 87 -1.605 16.639 -16.008 1.00 1.00 H new ATOM 0 HD22 ASN A 87 -0.837 15.299 -15.152 1.00 1.00 H new ATOM 169 N PRO A 88 -6.335 13.669 -15.762 1.00 1.00 N ATOM 170 CA PRO A 88 -7.367 13.602 -16.803 1.00 1.00 C ATOM 171 C PRO A 88 -6.973 14.279 -18.132 1.00 1.00 C ATOM 172 O PRO A 88 -7.614 14.020 -19.153 1.00 1.00 O ATOM 173 CB PRO A 88 -8.620 14.224 -16.175 1.00 1.00 C ATOM 174 CG PRO A 88 -8.080 15.145 -15.083 1.00 1.00 C ATOM 175 CD PRO A 88 -6.819 14.432 -14.618 1.00 1.00 C ATOM 0 HA PRO A 88 -7.532 12.567 -17.102 1.00 1.00 H new ATOM 0 HB2 PRO A 88 -9.200 14.779 -16.912 1.00 1.00 H new ATOM 0 HB3 PRO A 88 -9.278 13.460 -15.761 1.00 1.00 H new ATOM 0 HG2 PRO A 88 -7.861 16.141 -15.468 1.00 1.00 H new ATOM 0 HG3 PRO A 88 -8.796 15.268 -14.270 1.00 1.00 H new ATOM 0 HD2 PRO A 88 -6.069 15.148 -14.283 1.00 1.00 H new ATOM 0 HD3 PRO A 88 -7.032 13.775 -13.775 1.00 1.00 H new ATOM 183 N HIS A 89 -5.915 15.106 -18.151 1.00 1.00 N ATOM 184 CA HIS A 89 -5.401 15.780 -19.357 1.00 1.00 C ATOM 185 C HIS A 89 -4.348 14.967 -20.130 1.00 1.00 C ATOM 186 O HIS A 89 -4.150 15.233 -21.317 1.00 1.00 O ATOM 187 CB HIS A 89 -4.839 17.162 -18.974 1.00 1.00 C ATOM 188 CG HIS A 89 -5.826 18.013 -18.211 1.00 1.00 C ATOM 189 ND1 HIS A 89 -6.882 18.725 -18.755 1.00 1.00 N ATOM 190 CD2 HIS A 89 -5.844 18.206 -16.857 1.00 1.00 C ATOM 191 CE1 HIS A 89 -7.529 19.345 -17.750 1.00 1.00 C ATOM 192 NE2 HIS A 89 -6.915 19.043 -16.587 1.00 1.00 N ATOM 0 H HIS A 89 -5.381 15.330 -17.311 1.00 1.00 H new ATOM 0 HA HIS A 89 -6.246 15.887 -20.038 1.00 1.00 H new ATOM 0 HB2 HIS A 89 -3.941 17.028 -18.370 1.00 1.00 H new ATOM 0 HB3 HIS A 89 -4.538 17.689 -19.880 1.00 1.00 H new ATOM 0 HD2 HIS A 89 -5.156 17.787 -16.137 1.00 1.00 H new ATOM 0 HE1 HIS A 89 -8.396 19.979 -17.857 1.00 1.00 H new ATOM 0 HE2 HIS A 89 -7.193 19.375 -15.663 1.00 1.00 H new ATOM 201 N THR A 90 -3.683 13.990 -19.497 1.00 1.00 N ATOM 202 CA THR A 90 -2.529 13.261 -20.077 1.00 1.00 C ATOM 203 C THR A 90 -2.618 11.731 -20.004 1.00 1.00 C ATOM 204 O THR A 90 -1.949 11.047 -20.782 1.00 1.00 O ATOM 205 CB THR A 90 -1.214 13.678 -19.399 1.00 1.00 C ATOM 206 OG1 THR A 90 -1.214 13.231 -18.063 1.00 1.00 O ATOM 207 CG2 THR A 90 -1.001 15.186 -19.342 1.00 1.00 C ATOM 0 H THR A 90 -3.928 13.675 -18.558 1.00 1.00 H new ATOM 0 HA THR A 90 -2.552 13.542 -21.130 1.00 1.00 H new ATOM 0 HB THR A 90 -0.422 13.234 -20.002 1.00 1.00 H new ATOM 0 HG1 THR A 90 -0.308 13.298 -17.696 1.00 1.00 H new ATOM 0 HG21 THR A 90 -0.053 15.401 -18.850 1.00 1.00 H new ATOM 0 HG22 THR A 90 -0.984 15.590 -20.354 1.00 1.00 H new ATOM 0 HG23 THR A 90 -1.814 15.647 -18.781 1.00 1.00 H new ATOM 215 N GLY A 91 -3.437 11.180 -19.100 1.00 1.00 N ATOM 216 CA GLY A 91 -3.512 9.738 -18.836 1.00 1.00 C ATOM 217 C GLY A 91 -2.318 9.176 -18.040 1.00 1.00 C ATOM 218 O GLY A 91 -2.176 7.959 -17.931 1.00 1.00 O ATOM 0 H GLY A 91 -4.074 11.730 -18.524 1.00 1.00 H new ATOM 0 HA2 GLY A 91 -4.430 9.528 -18.288 1.00 1.00 H new ATOM 0 HA3 GLY A 91 -3.581 9.210 -19.787 1.00 1.00 H new ATOM 222 N GLU A 92 -1.459 10.034 -17.481 1.00 1.00 N ATOM 223 CA GLU A 92 -0.410 9.676 -16.544 1.00 1.00 C ATOM 224 C GLU A 92 -1.035 9.362 -15.181 1.00 1.00 C ATOM 225 O GLU A 92 -2.021 9.968 -14.758 1.00 1.00 O ATOM 226 CB GLU A 92 0.560 10.849 -16.349 1.00 1.00 C ATOM 227 CG GLU A 92 1.426 11.203 -17.559 1.00 1.00 C ATOM 228 CD GLU A 92 2.275 12.463 -17.287 1.00 1.00 C ATOM 229 OE1 GLU A 92 1.711 13.506 -16.870 1.00 1.00 O ATOM 230 OE2 GLU A 92 3.512 12.420 -17.508 1.00 1.00 O ATOM 0 H GLU A 92 -1.483 11.034 -17.682 1.00 1.00 H new ATOM 0 HA GLU A 92 0.124 8.813 -16.941 1.00 1.00 H new ATOM 0 HB2 GLU A 92 -0.017 11.730 -16.068 1.00 1.00 H new ATOM 0 HB3 GLU A 92 1.217 10.617 -15.511 1.00 1.00 H new ATOM 0 HG2 GLU A 92 2.080 10.365 -17.799 1.00 1.00 H new ATOM 0 HG3 GLU A 92 0.790 11.370 -18.428 1.00 1.00 H new ATOM 237 N VAL A 93 -0.388 8.456 -14.467 1.00 1.00 N ATOM 238 CA VAL A 93 -0.673 8.077 -13.084 1.00 1.00 C ATOM 239 C VAL A 93 0.638 8.063 -12.291 1.00 1.00 C ATOM 240 O VAL A 93 1.728 7.851 -12.828 1.00 1.00 O ATOM 241 CB VAL A 93 -1.357 6.697 -13.040 1.00 1.00 C ATOM 242 CG1 VAL A 93 -1.871 6.287 -11.644 1.00 1.00 C ATOM 243 CG2 VAL A 93 -2.554 6.634 -14.000 1.00 1.00 C ATOM 0 H VAL A 93 0.396 7.932 -14.855 1.00 1.00 H new ATOM 0 HA VAL A 93 -1.353 8.801 -12.636 1.00 1.00 H new ATOM 0 HB VAL A 93 -0.570 6.004 -13.336 1.00 1.00 H new ATOM 0 HG11 VAL A 93 -2.338 5.304 -11.703 1.00 1.00 H new ATOM 0 HG12 VAL A 93 -1.036 6.251 -10.945 1.00 1.00 H new ATOM 0 HG13 VAL A 93 -2.603 7.016 -11.297 1.00 1.00 H new ATOM 0 HG21 VAL A 93 -3.014 5.647 -13.944 1.00 1.00 H new ATOM 0 HG22 VAL A 93 -3.286 7.392 -13.719 1.00 1.00 H new ATOM 0 HG23 VAL A 93 -2.213 6.819 -15.019 1.00 1.00 H new ATOM 253 N ILE A 94 0.505 8.257 -10.986 1.00 1.00 N ATOM 254 CA ILE A 94 1.562 8.252 -9.970 1.00 1.00 C ATOM 255 C ILE A 94 1.020 7.646 -8.676 1.00 1.00 C ATOM 256 O ILE A 94 -0.189 7.546 -8.481 1.00 1.00 O ATOM 257 CB ILE A 94 2.114 9.669 -9.638 1.00 1.00 C ATOM 258 CG1 ILE A 94 1.510 10.835 -10.449 1.00 1.00 C ATOM 259 CG2 ILE A 94 3.649 9.681 -9.737 1.00 1.00 C ATOM 260 CD1 ILE A 94 1.896 12.198 -9.870 1.00 1.00 C ATOM 0 H ILE A 94 -0.411 8.436 -10.574 1.00 1.00 H new ATOM 0 HA ILE A 94 2.380 7.665 -10.387 1.00 1.00 H new ATOM 0 HB ILE A 94 1.793 9.857 -8.613 1.00 1.00 H new ATOM 0 HG12 ILE A 94 1.849 10.771 -11.483 1.00 1.00 H new ATOM 0 HG13 ILE A 94 0.424 10.742 -10.464 1.00 1.00 H new ATOM 0 HG21 ILE A 94 4.021 10.678 -9.502 1.00 1.00 H new ATOM 0 HG22 ILE A 94 4.065 8.963 -9.030 1.00 1.00 H new ATOM 0 HG23 ILE A 94 3.950 9.410 -10.749 1.00 1.00 H new ATOM 0 HD11 ILE A 94 1.449 12.989 -10.472 1.00 1.00 H new ATOM 0 HD12 ILE A 94 1.534 12.274 -8.845 1.00 1.00 H new ATOM 0 HD13 ILE A 94 2.981 12.304 -9.880 1.00 1.00 H new ATOM 272 N GLU A 95 1.930 7.355 -7.758 1.00 1.00 N ATOM 273 CA GLU A 95 1.706 6.896 -6.387 1.00 1.00 C ATOM 274 C GLU A 95 2.822 7.441 -5.484 1.00 1.00 C ATOM 275 O GLU A 95 4.005 7.173 -5.715 1.00 1.00 O ATOM 276 CB GLU A 95 1.753 5.366 -6.339 1.00 1.00 C ATOM 277 CG GLU A 95 0.435 4.722 -6.764 1.00 1.00 C ATOM 278 CD GLU A 95 0.560 3.190 -6.882 1.00 1.00 C ATOM 279 OE1 GLU A 95 0.903 2.517 -5.878 1.00 1.00 O ATOM 280 OE2 GLU A 95 0.311 2.647 -7.985 1.00 1.00 O ATOM 0 H GLU A 95 2.925 7.439 -7.965 1.00 1.00 H new ATOM 0 HA GLU A 95 0.732 7.249 -6.047 1.00 1.00 H new ATOM 0 HB2 GLU A 95 2.552 5.011 -6.989 1.00 1.00 H new ATOM 0 HB3 GLU A 95 1.999 5.046 -5.327 1.00 1.00 H new ATOM 0 HG2 GLU A 95 -0.341 4.969 -6.039 1.00 1.00 H new ATOM 0 HG3 GLU A 95 0.120 5.136 -7.722 1.00 1.00 H new ATOM 287 N THR A 96 2.456 8.221 -4.467 1.00 1.00 N ATOM 288 CA THR A 96 3.402 8.857 -3.527 1.00 1.00 C ATOM 289 C THR A 96 2.780 8.932 -2.129 1.00 1.00 C ATOM 290 O THR A 96 1.557 8.888 -1.994 1.00 1.00 O ATOM 291 CB THR A 96 3.873 10.260 -4.006 1.00 1.00 C ATOM 292 OG1 THR A 96 3.217 11.296 -3.304 1.00 1.00 O ATOM 293 CG2 THR A 96 3.645 10.571 -5.494 1.00 1.00 C ATOM 0 H THR A 96 1.480 8.437 -4.263 1.00 1.00 H new ATOM 0 HA THR A 96 4.294 8.232 -3.489 1.00 1.00 H new ATOM 0 HB THR A 96 4.945 10.221 -3.815 1.00 1.00 H new ATOM 0 HG1 THR A 96 3.537 12.164 -3.628 1.00 1.00 H new ATOM 0 HG21 THR A 96 4.010 11.574 -5.716 1.00 1.00 H new ATOM 0 HG22 THR A 96 4.183 9.845 -6.104 1.00 1.00 H new ATOM 0 HG23 THR A 96 2.580 10.515 -5.718 1.00 1.00 H new ATOM 301 N LYS A 97 3.582 9.044 -1.066 1.00 1.00 N ATOM 302 CA LYS A 97 3.098 9.204 0.323 1.00 1.00 C ATOM 303 C LYS A 97 3.136 10.680 0.779 1.00 1.00 C ATOM 304 O LYS A 97 3.012 10.966 1.973 1.00 1.00 O ATOM 305 CB LYS A 97 3.924 8.298 1.251 1.00 1.00 C ATOM 306 CG LYS A 97 3.978 6.820 0.813 1.00 1.00 C ATOM 307 CD LYS A 97 5.055 6.024 1.570 1.00 1.00 C ATOM 308 CE LYS A 97 5.403 4.687 0.893 1.00 1.00 C ATOM 309 NZ LYS A 97 6.160 4.873 -0.380 1.00 1.00 N ATOM 0 H LYS A 97 4.599 9.027 -1.139 1.00 1.00 H new ATOM 0 HA LYS A 97 2.052 8.901 0.370 1.00 1.00 H new ATOM 0 HB2 LYS A 97 4.941 8.686 1.306 1.00 1.00 H new ATOM 0 HB3 LYS A 97 3.507 8.352 2.257 1.00 1.00 H new ATOM 0 HG2 LYS A 97 3.005 6.359 0.979 1.00 1.00 H new ATOM 0 HG3 LYS A 97 4.177 6.768 -0.257 1.00 1.00 H new ATOM 0 HD2 LYS A 97 5.958 6.630 1.650 1.00 1.00 H new ATOM 0 HD3 LYS A 97 4.710 5.831 2.586 1.00 1.00 H new ATOM 0 HE2 LYS A 97 5.994 4.079 1.578 1.00 1.00 H new ATOM 0 HE3 LYS A 97 4.485 4.136 0.689 1.00 1.00 H new ATOM 0 HZ1 LYS A 97 6.531 3.956 -0.700 1.00 1.00 H new ATOM 0 HZ2 LYS A 97 5.527 5.263 -1.107 1.00 1.00 H new ATOM 0 HZ3 LYS A 97 6.951 5.530 -0.221 1.00 1.00 H new ATOM 323 N GLY A 98 3.351 11.593 -0.171 1.00 1.00 N ATOM 324 CA GLY A 98 3.609 13.017 0.017 1.00 1.00 C ATOM 325 C GLY A 98 4.922 13.478 -0.629 1.00 1.00 C ATOM 326 O GLY A 98 5.548 12.753 -1.414 1.00 1.00 O ATOM 0 H GLY A 98 3.349 11.336 -1.158 1.00 1.00 H new ATOM 0 HA2 GLY A 98 2.783 13.589 -0.404 1.00 1.00 H new ATOM 0 HA3 GLY A 98 3.638 13.238 1.084 1.00 1.00 H new ATOM 330 N GLY A 99 5.343 14.688 -0.267 1.00 1.00 N ATOM 331 CA GLY A 99 6.655 15.248 -0.579 1.00 1.00 C ATOM 332 C GLY A 99 6.877 15.772 -2.006 1.00 1.00 C ATOM 333 O GLY A 99 6.094 15.563 -2.938 1.00 1.00 O ATOM 0 H GLY A 99 4.759 15.328 0.271 1.00 1.00 H new ATOM 0 HA2 GLY A 99 6.845 16.067 0.114 1.00 1.00 H new ATOM 0 HA3 GLY A 99 7.404 14.482 -0.381 1.00 1.00 H new ATOM 337 N ASN A 100 8.008 16.463 -2.154 1.00 1.00 N ATOM 338 CA ASN A 100 8.633 16.915 -3.398 1.00 1.00 C ATOM 339 C ASN A 100 8.907 15.688 -4.304 1.00 1.00 C ATOM 340 O ASN A 100 9.864 14.944 -4.087 1.00 1.00 O ATOM 341 CB ASN A 100 9.890 17.711 -2.970 1.00 1.00 C ATOM 342 CG ASN A 100 10.981 17.931 -4.008 1.00 1.00 C ATOM 343 OD1 ASN A 100 10.815 17.750 -5.209 1.00 1.00 O ATOM 344 ND2 ASN A 100 12.135 18.354 -3.537 1.00 1.00 N ATOM 0 H ASN A 100 8.555 16.744 -1.340 1.00 1.00 H new ATOM 0 HA ASN A 100 8.006 17.570 -4.003 1.00 1.00 H new ATOM 0 HB2 ASN A 100 9.562 18.689 -2.617 1.00 1.00 H new ATOM 0 HB3 ASN A 100 10.337 17.198 -2.119 1.00 1.00 H new ATOM 0 HD21 ASN A 100 12.910 18.537 -4.175 1.00 1.00 H new ATOM 0 HD22 ASN A 100 12.254 18.499 -2.534 1.00 1.00 H new ATOM 351 N HIS A 101 8.021 15.448 -5.286 1.00 1.00 N ATOM 352 CA HIS A 101 8.117 14.357 -6.274 1.00 1.00 C ATOM 353 C HIS A 101 7.917 14.899 -7.699 1.00 1.00 C ATOM 354 O HIS A 101 6.953 15.625 -7.930 1.00 1.00 O ATOM 355 CB HIS A 101 7.110 13.253 -5.889 1.00 1.00 C ATOM 356 CG HIS A 101 7.315 11.966 -6.655 1.00 1.00 C ATOM 357 ND1 HIS A 101 8.309 11.028 -6.426 1.00 1.00 N ATOM 358 CD2 HIS A 101 6.568 11.529 -7.716 1.00 1.00 C ATOM 359 CE1 HIS A 101 8.164 10.038 -7.329 1.00 1.00 C ATOM 360 NE2 HIS A 101 7.114 10.322 -8.126 1.00 1.00 N ATOM 0 H HIS A 101 7.191 16.026 -5.419 1.00 1.00 H new ATOM 0 HA HIS A 101 9.113 13.914 -6.265 1.00 1.00 H new ATOM 0 HB2 HIS A 101 7.194 13.050 -4.821 1.00 1.00 H new ATOM 0 HB3 HIS A 101 6.098 13.616 -6.066 1.00 1.00 H new ATOM 0 HD1 HIS A 101 9.025 11.078 -5.701 1.00 1.00 H new ATOM 0 HD2 HIS A 101 5.715 12.029 -8.151 1.00 1.00 H new ATOM 0 HE1 HIS A 101 8.788 9.159 -7.402 1.00 1.00 H new ATOM 369 N LYS A 102 8.778 14.522 -8.655 1.00 1.00 N ATOM 370 CA LYS A 102 8.875 15.110 -10.019 1.00 1.00 C ATOM 371 C LYS A 102 7.529 15.334 -10.727 1.00 1.00 C ATOM 372 O LYS A 102 7.086 16.472 -10.827 1.00 1.00 O ATOM 373 CB LYS A 102 9.866 14.278 -10.860 1.00 1.00 C ATOM 374 CG LYS A 102 10.276 15.000 -12.158 1.00 1.00 C ATOM 375 CD LYS A 102 11.337 16.101 -11.988 1.00 1.00 C ATOM 376 CE LYS A 102 12.685 15.516 -11.541 1.00 1.00 C ATOM 377 NZ LYS A 102 13.756 16.543 -11.519 1.00 1.00 N ATOM 0 H LYS A 102 9.454 13.773 -8.505 1.00 1.00 H new ATOM 0 HA LYS A 102 9.259 16.124 -9.904 1.00 1.00 H new ATOM 0 HB2 LYS A 102 10.756 14.067 -10.267 1.00 1.00 H new ATOM 0 HB3 LYS A 102 9.413 13.318 -11.108 1.00 1.00 H new ATOM 0 HG2 LYS A 102 10.654 14.259 -12.863 1.00 1.00 H new ATOM 0 HG3 LYS A 102 9.386 15.442 -12.606 1.00 1.00 H new ATOM 0 HD2 LYS A 102 11.464 16.634 -12.930 1.00 1.00 H new ATOM 0 HD3 LYS A 102 10.993 16.829 -11.254 1.00 1.00 H new ATOM 0 HE2 LYS A 102 12.580 15.080 -10.547 1.00 1.00 H new ATOM 0 HE3 LYS A 102 12.971 14.708 -12.215 1.00 1.00 H new ATOM 0 HZ1 LYS A 102 14.641 16.115 -11.180 1.00 1.00 H new ATOM 0 HZ2 LYS A 102 13.898 16.917 -12.479 1.00 1.00 H new ATOM 0 HZ3 LYS A 102 13.481 17.318 -10.883 1.00 1.00 H new ATOM 391 N THR A 103 6.850 14.270 -11.155 1.00 1.00 N ATOM 392 CA THR A 103 5.618 14.375 -11.972 1.00 1.00 C ATOM 393 C THR A 103 4.502 15.112 -11.231 1.00 1.00 C ATOM 394 O THR A 103 3.829 15.969 -11.804 1.00 1.00 O ATOM 395 CB THR A 103 5.129 12.987 -12.411 1.00 1.00 C ATOM 396 OG1 THR A 103 6.195 12.290 -13.024 1.00 1.00 O ATOM 397 CG2 THR A 103 3.980 13.105 -13.408 1.00 1.00 C ATOM 0 H THR A 103 7.128 13.310 -10.952 1.00 1.00 H new ATOM 0 HA THR A 103 5.874 14.957 -12.858 1.00 1.00 H new ATOM 0 HB THR A 103 4.778 12.450 -11.530 1.00 1.00 H new ATOM 0 HG1 THR A 103 5.887 11.403 -13.304 1.00 1.00 H new ATOM 0 HG21 THR A 103 3.651 12.109 -13.704 1.00 1.00 H new ATOM 0 HG22 THR A 103 3.150 13.639 -12.945 1.00 1.00 H new ATOM 0 HG23 THR A 103 4.317 13.652 -14.288 1.00 1.00 H new ATOM 405 N LEU A 104 4.367 14.840 -9.927 1.00 1.00 N ATOM 406 CA LEU A 104 3.402 15.498 -9.043 1.00 1.00 C ATOM 407 C LEU A 104 3.610 17.025 -9.017 1.00 1.00 C ATOM 408 O LEU A 104 2.640 17.782 -9.085 1.00 1.00 O ATOM 409 CB LEU A 104 3.527 14.837 -7.649 1.00 1.00 C ATOM 410 CG LEU A 104 2.514 15.300 -6.582 1.00 1.00 C ATOM 411 CD1 LEU A 104 1.074 15.017 -7.005 1.00 1.00 C ATOM 412 CD2 LEU A 104 2.779 14.561 -5.270 1.00 1.00 C ATOM 0 H LEU A 104 4.938 14.142 -9.449 1.00 1.00 H new ATOM 0 HA LEU A 104 2.384 15.365 -9.409 1.00 1.00 H new ATOM 0 HB2 LEU A 104 3.427 13.758 -7.771 1.00 1.00 H new ATOM 0 HB3 LEU A 104 4.532 15.023 -7.271 1.00 1.00 H new ATOM 0 HG LEU A 104 2.639 16.376 -6.459 1.00 1.00 H new ATOM 0 HD11 LEU A 104 0.392 15.358 -6.226 1.00 1.00 H new ATOM 0 HD12 LEU A 104 0.857 15.545 -7.934 1.00 1.00 H new ATOM 0 HD13 LEU A 104 0.943 13.946 -7.158 1.00 1.00 H new ATOM 0 HD21 LEU A 104 2.063 14.889 -4.517 1.00 1.00 H new ATOM 0 HD22 LEU A 104 2.673 13.488 -5.429 1.00 1.00 H new ATOM 0 HD23 LEU A 104 3.791 14.779 -4.928 1.00 1.00 H new ATOM 424 N LYS A 105 4.867 17.491 -8.997 1.00 1.00 N ATOM 425 CA LYS A 105 5.209 18.924 -9.060 1.00 1.00 C ATOM 426 C LYS A 105 4.918 19.548 -10.426 1.00 1.00 C ATOM 427 O LYS A 105 4.521 20.709 -10.470 1.00 1.00 O ATOM 428 CB LYS A 105 6.684 19.142 -8.665 1.00 1.00 C ATOM 429 CG LYS A 105 6.974 18.990 -7.154 1.00 1.00 C ATOM 430 CD LYS A 105 6.288 20.021 -6.232 1.00 1.00 C ATOM 431 CE LYS A 105 6.516 21.476 -6.686 1.00 1.00 C ATOM 432 NZ LYS A 105 5.963 22.453 -5.706 1.00 1.00 N ATOM 0 H LYS A 105 5.683 16.882 -8.936 1.00 1.00 H new ATOM 0 HA LYS A 105 4.565 19.434 -8.343 1.00 1.00 H new ATOM 0 HB2 LYS A 105 7.302 18.432 -9.214 1.00 1.00 H new ATOM 0 HB3 LYS A 105 6.988 20.140 -8.981 1.00 1.00 H new ATOM 0 HG2 LYS A 105 6.667 17.991 -6.843 1.00 1.00 H new ATOM 0 HG3 LYS A 105 8.051 19.054 -7.002 1.00 1.00 H new ATOM 0 HD2 LYS A 105 5.217 19.819 -6.202 1.00 1.00 H new ATOM 0 HD3 LYS A 105 6.664 19.899 -5.216 1.00 1.00 H new ATOM 0 HE2 LYS A 105 7.584 21.654 -6.814 1.00 1.00 H new ATOM 0 HE3 LYS A 105 6.048 21.631 -7.658 1.00 1.00 H new ATOM 0 HZ1 LYS A 105 5.823 23.372 -6.173 1.00 1.00 H new ATOM 0 HZ2 LYS A 105 5.051 22.105 -5.346 1.00 1.00 H new ATOM 0 HZ3 LYS A 105 6.628 22.565 -4.914 1.00 1.00 H new ATOM 446 N GLU A 106 5.037 18.806 -11.529 1.00 1.00 N ATOM 447 CA GLU A 106 4.698 19.339 -12.853 1.00 1.00 C ATOM 448 C GLU A 106 3.202 19.563 -12.989 1.00 1.00 C ATOM 449 O GLU A 106 2.754 20.597 -13.472 1.00 1.00 O ATOM 450 CB GLU A 106 5.126 18.413 -13.993 1.00 1.00 C ATOM 451 CG GLU A 106 6.549 17.913 -13.833 1.00 1.00 C ATOM 452 CD GLU A 106 7.088 17.302 -15.139 1.00 1.00 C ATOM 453 OE1 GLU A 106 7.634 18.058 -15.983 1.00 1.00 O ATOM 454 OE2 GLU A 106 6.981 16.066 -15.331 1.00 1.00 O ATOM 0 H GLU A 106 5.363 17.840 -11.534 1.00 1.00 H new ATOM 0 HA GLU A 106 5.242 20.281 -12.931 1.00 1.00 H new ATOM 0 HB2 GLU A 106 4.448 17.561 -14.038 1.00 1.00 H new ATOM 0 HB3 GLU A 106 5.035 18.943 -14.941 1.00 1.00 H new ATOM 0 HG2 GLU A 106 7.192 18.737 -13.524 1.00 1.00 H new ATOM 0 HG3 GLU A 106 6.585 17.166 -13.040 1.00 1.00 H new ATOM 461 N TRP A 107 2.416 18.605 -12.502 1.00 1.00 N ATOM 462 CA TRP A 107 0.956 18.731 -12.514 1.00 1.00 C ATOM 463 C TRP A 107 0.459 19.936 -11.696 1.00 1.00 C ATOM 464 O TRP A 107 -0.473 20.628 -12.111 1.00 1.00 O ATOM 465 CB TRP A 107 0.297 17.443 -12.020 1.00 1.00 C ATOM 466 CG TRP A 107 0.501 16.177 -12.796 1.00 1.00 C ATOM 467 CD1 TRP A 107 1.284 15.977 -13.882 1.00 1.00 C ATOM 468 CD2 TRP A 107 -0.125 14.890 -12.522 1.00 1.00 C ATOM 469 NE1 TRP A 107 1.197 14.656 -14.277 1.00 1.00 N ATOM 470 CE2 TRP A 107 0.433 13.925 -13.403 1.00 1.00 C ATOM 471 CE3 TRP A 107 -1.107 14.439 -11.615 1.00 1.00 C ATOM 472 CZ2 TRP A 107 0.128 12.563 -13.310 1.00 1.00 C ATOM 473 CZ3 TRP A 107 -1.502 13.088 -11.594 1.00 1.00 C ATOM 474 CH2 TRP A 107 -0.863 12.142 -12.416 1.00 1.00 C ATOM 0 H TRP A 107 2.761 17.736 -12.095 1.00 1.00 H new ATOM 0 HA TRP A 107 0.665 18.906 -13.550 1.00 1.00 H new ATOM 0 HB2 TRP A 107 0.645 17.265 -11.003 1.00 1.00 H new ATOM 0 HB3 TRP A 107 -0.776 17.624 -11.962 1.00 1.00 H new ATOM 0 HD1 TRP A 107 1.884 16.734 -14.365 1.00 1.00 H new ATOM 0 HE1 TRP A 107 1.643 14.274 -15.111 1.00 1.00 H new ATOM 0 HE3 TRP A 107 -1.561 15.138 -10.929 1.00 1.00 H new ATOM 0 HZ2 TRP A 107 0.652 11.844 -13.922 1.00 1.00 H new ATOM 0 HZ3 TRP A 107 -2.303 12.775 -10.941 1.00 1.00 H new ATOM 0 HH2 TRP A 107 -1.135 11.098 -12.358 1.00 1.00 H new ATOM 485 N LYS A 108 1.111 20.246 -10.564 1.00 1.00 N ATOM 486 CA LYS A 108 0.822 21.469 -9.793 1.00 1.00 C ATOM 487 C LYS A 108 1.170 22.748 -10.564 1.00 1.00 C ATOM 488 O LYS A 108 0.443 23.733 -10.459 1.00 1.00 O ATOM 489 CB LYS A 108 1.594 21.480 -8.472 1.00 1.00 C ATOM 490 CG LYS A 108 1.047 20.430 -7.512 1.00 1.00 C ATOM 491 CD LYS A 108 1.725 20.607 -6.157 1.00 1.00 C ATOM 492 CE LYS A 108 1.242 19.507 -5.216 1.00 1.00 C ATOM 493 NZ LYS A 108 1.718 19.765 -3.839 1.00 1.00 N ATOM 0 H LYS A 108 1.845 19.665 -10.160 1.00 1.00 H new ATOM 0 HA LYS A 108 -0.252 21.455 -9.605 1.00 1.00 H new ATOM 0 HB2 LYS A 108 2.650 21.289 -8.662 1.00 1.00 H new ATOM 0 HB3 LYS A 108 1.526 22.467 -8.015 1.00 1.00 H new ATOM 0 HG2 LYS A 108 -0.033 20.536 -7.411 1.00 1.00 H new ATOM 0 HG3 LYS A 108 1.234 19.429 -7.900 1.00 1.00 H new ATOM 0 HD2 LYS A 108 2.808 20.559 -6.268 1.00 1.00 H new ATOM 0 HD3 LYS A 108 1.490 21.588 -5.743 1.00 1.00 H new ATOM 0 HE2 LYS A 108 0.153 19.460 -5.229 1.00 1.00 H new ATOM 0 HE3 LYS A 108 1.607 18.539 -5.559 1.00 1.00 H new ATOM 0 HZ1 LYS A 108 1.994 18.867 -3.393 1.00 1.00 H new ATOM 0 HZ2 LYS A 108 2.539 20.403 -3.869 1.00 1.00 H new ATOM 0 HZ3 LYS A 108 0.956 20.206 -3.285 1.00 1.00 H new ATOM 507 N ALA A 109 2.251 22.731 -11.347 1.00 1.00 N ATOM 508 CA ALA A 109 2.639 23.852 -12.194 1.00 1.00 C ATOM 509 C ALA A 109 1.609 24.081 -13.309 1.00 1.00 C ATOM 510 O ALA A 109 1.160 25.204 -13.550 1.00 1.00 O ATOM 511 CB ALA A 109 4.006 23.545 -12.821 1.00 1.00 C ATOM 0 H ALA A 109 2.883 21.933 -11.409 1.00 1.00 H new ATOM 0 HA ALA A 109 2.690 24.754 -11.585 1.00 1.00 H new ATOM 0 HB1 ALA A 109 4.309 24.376 -13.458 1.00 1.00 H new ATOM 0 HB2 ALA A 109 4.745 23.404 -12.032 1.00 1.00 H new ATOM 0 HB3 ALA A 109 3.936 22.636 -13.419 1.00 1.00 H new ATOM 517 N LYS A 110 1.247 22.977 -13.976 1.00 1.00 N ATOM 518 CA LYS A 110 0.463 22.954 -15.195 1.00 1.00 C ATOM 519 C LYS A 110 -1.040 23.205 -14.995 1.00 1.00 C ATOM 520 O LYS A 110 -1.656 23.843 -15.852 1.00 1.00 O ATOM 521 CB LYS A 110 0.714 21.626 -15.925 1.00 1.00 C ATOM 522 CG LYS A 110 2.094 21.612 -16.606 1.00 1.00 C ATOM 523 CD LYS A 110 2.381 20.298 -17.349 1.00 1.00 C ATOM 524 CE LYS A 110 1.593 20.171 -18.663 1.00 1.00 C ATOM 525 NZ LYS A 110 2.163 21.009 -19.760 1.00 1.00 N ATOM 0 H LYS A 110 1.508 22.043 -13.659 1.00 1.00 H new ATOM 0 HA LYS A 110 0.799 23.794 -15.803 1.00 1.00 H new ATOM 0 HB2 LYS A 110 0.648 20.801 -15.216 1.00 1.00 H new ATOM 0 HB3 LYS A 110 -0.064 21.467 -16.672 1.00 1.00 H new ATOM 0 HG2 LYS A 110 2.155 22.442 -17.310 1.00 1.00 H new ATOM 0 HG3 LYS A 110 2.866 21.774 -15.854 1.00 1.00 H new ATOM 0 HD2 LYS A 110 3.448 20.233 -17.563 1.00 1.00 H new ATOM 0 HD3 LYS A 110 2.134 19.458 -16.700 1.00 1.00 H new ATOM 0 HE2 LYS A 110 1.583 19.127 -18.976 1.00 1.00 H new ATOM 0 HE3 LYS A 110 0.557 20.462 -18.490 1.00 1.00 H new ATOM 0 HZ1 LYS A 110 1.594 20.886 -20.622 1.00 1.00 H new ATOM 0 HZ2 LYS A 110 2.149 22.009 -19.476 1.00 1.00 H new ATOM 0 HZ3 LYS A 110 3.143 20.716 -19.947 1.00 1.00 H new ATOM 539 N TRP A 111 -1.610 22.747 -13.871 1.00 1.00 N ATOM 540 CA TRP A 111 -3.057 22.843 -13.580 1.00 1.00 C ATOM 541 C TRP A 111 -3.377 23.337 -12.156 1.00 1.00 C ATOM 542 O TRP A 111 -4.175 24.265 -12.013 1.00 1.00 O ATOM 543 CB TRP A 111 -3.734 21.489 -13.861 1.00 1.00 C ATOM 544 CG TRP A 111 -3.575 20.982 -15.264 1.00 1.00 C ATOM 545 CD1 TRP A 111 -4.291 21.384 -16.338 1.00 1.00 C ATOM 546 CD2 TRP A 111 -2.596 20.027 -15.783 1.00 1.00 C ATOM 547 NE1 TRP A 111 -3.816 20.759 -17.476 1.00 1.00 N ATOM 548 CE2 TRP A 111 -2.757 19.922 -17.195 1.00 1.00 C ATOM 549 CE3 TRP A 111 -1.567 19.268 -15.197 1.00 1.00 C ATOM 550 CZ2 TRP A 111 -1.939 19.099 -17.986 1.00 1.00 C ATOM 551 CZ3 TRP A 111 -0.707 18.478 -15.984 1.00 1.00 C ATOM 552 CH2 TRP A 111 -0.904 18.371 -17.372 1.00 1.00 C ATOM 0 H TRP A 111 -1.078 22.294 -13.128 1.00 1.00 H new ATOM 0 HA TRP A 111 -3.461 23.605 -14.246 1.00 1.00 H new ATOM 0 HB2 TRP A 111 -3.328 20.747 -13.174 1.00 1.00 H new ATOM 0 HB3 TRP A 111 -4.798 21.579 -13.641 1.00 1.00 H new ATOM 0 HD1 TRP A 111 -5.110 22.087 -16.311 1.00 1.00 H new ATOM 0 HE1 TRP A 111 -4.202 20.900 -18.410 1.00 1.00 H new ATOM 0 HE3 TRP A 111 -1.434 19.291 -14.125 1.00 1.00 H new ATOM 0 HZ2 TRP A 111 -2.102 19.026 -19.051 1.00 1.00 H new ATOM 0 HZ3 TRP A 111 0.111 17.950 -15.517 1.00 1.00 H new ATOM 0 HH2 TRP A 111 -0.264 17.733 -17.964 1.00 1.00 H new ATOM 563 N GLY A 112 -2.749 22.779 -11.110 1.00 1.00 N ATOM 564 CA GLY A 112 -2.815 23.316 -9.732 1.00 1.00 C ATOM 565 C GLY A 112 -2.916 22.261 -8.622 1.00 1.00 C ATOM 566 O GLY A 112 -3.456 21.182 -8.851 1.00 1.00 O ATOM 0 H GLY A 112 -2.177 21.938 -11.191 1.00 1.00 H new ATOM 0 HA2 GLY A 112 -1.928 23.924 -9.553 1.00 1.00 H new ATOM 0 HA3 GLY A 112 -3.676 23.980 -9.659 1.00 1.00 H new ATOM 570 N PRO A 113 -2.460 22.554 -7.388 1.00 1.00 N ATOM 571 CA PRO A 113 -2.488 21.599 -6.272 1.00 1.00 C ATOM 572 C PRO A 113 -3.899 21.155 -5.858 1.00 1.00 C ATOM 573 O PRO A 113 -4.093 20.000 -5.493 1.00 1.00 O ATOM 574 CB PRO A 113 -1.743 22.275 -5.116 1.00 1.00 C ATOM 575 CG PRO A 113 -1.788 23.763 -5.455 1.00 1.00 C ATOM 576 CD PRO A 113 -1.815 23.794 -6.981 1.00 1.00 C ATOM 0 HA PRO A 113 -2.009 20.669 -6.578 1.00 1.00 H new ATOM 0 HB2 PRO A 113 -2.224 22.071 -4.159 1.00 1.00 H new ATOM 0 HB3 PRO A 113 -0.717 21.915 -5.040 1.00 1.00 H new ATOM 0 HG2 PRO A 113 -2.670 24.242 -5.030 1.00 1.00 H new ATOM 0 HG3 PRO A 113 -0.918 24.289 -5.060 1.00 1.00 H new ATOM 0 HD2 PRO A 113 -2.367 24.660 -7.345 1.00 1.00 H new ATOM 0 HD3 PRO A 113 -0.807 23.863 -7.389 1.00 1.00 H new ATOM 584 N GLU A 114 -4.896 22.040 -5.969 1.00 1.00 N ATOM 585 CA GLU A 114 -6.298 21.735 -5.660 1.00 1.00 C ATOM 586 C GLU A 114 -6.841 20.652 -6.589 1.00 1.00 C ATOM 587 O GLU A 114 -7.448 19.669 -6.165 1.00 1.00 O ATOM 588 CB GLU A 114 -7.166 22.984 -5.832 1.00 1.00 C ATOM 589 CG GLU A 114 -6.583 24.245 -5.195 1.00 1.00 C ATOM 590 CD GLU A 114 -7.610 25.393 -5.197 1.00 1.00 C ATOM 591 OE1 GLU A 114 -7.670 26.161 -6.191 1.00 1.00 O ATOM 592 OE2 GLU A 114 -8.370 25.541 -4.208 1.00 1.00 O ATOM 0 H GLU A 114 -4.750 23.000 -6.280 1.00 1.00 H new ATOM 0 HA GLU A 114 -6.334 21.387 -4.628 1.00 1.00 H new ATOM 0 HB2 GLU A 114 -7.316 23.164 -6.896 1.00 1.00 H new ATOM 0 HB3 GLU A 114 -8.148 22.793 -5.399 1.00 1.00 H new ATOM 0 HG2 GLU A 114 -6.275 24.030 -4.172 1.00 1.00 H new ATOM 0 HG3 GLU A 114 -5.690 24.551 -5.739 1.00 1.00 H new ATOM 599 N ALA A 115 -6.560 20.844 -7.878 1.00 1.00 N ATOM 600 CA ALA A 115 -6.898 19.928 -8.959 1.00 1.00 C ATOM 601 C ALA A 115 -6.256 18.561 -8.705 1.00 1.00 C ATOM 602 O ALA A 115 -6.926 17.532 -8.634 1.00 1.00 O ATOM 603 CB ALA A 115 -6.383 20.522 -10.273 1.00 1.00 C ATOM 0 H ALA A 115 -6.071 21.676 -8.207 1.00 1.00 H new ATOM 0 HA ALA A 115 -7.978 19.792 -9.013 1.00 1.00 H new ATOM 0 HB1 ALA A 115 -6.626 19.850 -11.096 1.00 1.00 H new ATOM 0 HB2 ALA A 115 -6.853 21.490 -10.444 1.00 1.00 H new ATOM 0 HB3 ALA A 115 -5.302 20.649 -10.216 1.00 1.00 H new ATOM 609 N VAL A 116 -4.943 18.597 -8.492 1.00 1.00 N ATOM 610 CA VAL A 116 -4.082 17.445 -8.311 1.00 1.00 C ATOM 611 C VAL A 116 -4.543 16.569 -7.142 1.00 1.00 C ATOM 612 O VAL A 116 -4.713 15.362 -7.302 1.00 1.00 O ATOM 613 CB VAL A 116 -2.638 17.953 -8.160 1.00 1.00 C ATOM 614 CG1 VAL A 116 -1.642 16.938 -7.603 1.00 1.00 C ATOM 615 CG2 VAL A 116 -2.149 18.412 -9.540 1.00 1.00 C ATOM 0 H VAL A 116 -4.431 19.478 -8.439 1.00 1.00 H new ATOM 0 HA VAL A 116 -4.134 16.791 -9.182 1.00 1.00 H new ATOM 0 HB VAL A 116 -2.675 18.759 -7.427 1.00 1.00 H new ATOM 0 HG11 VAL A 116 -0.655 17.396 -7.536 1.00 1.00 H new ATOM 0 HG12 VAL A 116 -1.962 16.621 -6.611 1.00 1.00 H new ATOM 0 HG13 VAL A 116 -1.597 16.072 -8.264 1.00 1.00 H new ATOM 0 HG21 VAL A 116 -1.125 18.778 -9.460 1.00 1.00 H new ATOM 0 HG22 VAL A 116 -2.182 17.573 -10.235 1.00 1.00 H new ATOM 0 HG23 VAL A 116 -2.792 19.212 -9.906 1.00 1.00 H new ATOM 625 N GLU A 117 -4.829 17.174 -5.987 1.00 1.00 N ATOM 626 CA GLU A 117 -5.396 16.473 -4.829 1.00 1.00 C ATOM 627 C GLU A 117 -6.815 15.952 -5.093 1.00 1.00 C ATOM 628 O GLU A 117 -7.168 14.869 -4.626 1.00 1.00 O ATOM 629 CB GLU A 117 -5.448 17.432 -3.629 1.00 1.00 C ATOM 630 CG GLU A 117 -4.090 17.630 -2.950 1.00 1.00 C ATOM 631 CD GLU A 117 -3.854 16.513 -1.904 1.00 1.00 C ATOM 632 OE1 GLU A 117 -3.427 15.390 -2.261 1.00 1.00 O ATOM 633 OE2 GLU A 117 -4.188 16.703 -0.706 1.00 1.00 O ATOM 0 H GLU A 117 -4.674 18.169 -5.826 1.00 1.00 H new ATOM 0 HA GLU A 117 -4.753 15.617 -4.626 1.00 1.00 H new ATOM 0 HB2 GLU A 117 -5.824 18.399 -3.962 1.00 1.00 H new ATOM 0 HB3 GLU A 117 -6.159 17.049 -2.897 1.00 1.00 H new ATOM 0 HG2 GLU A 117 -3.295 17.615 -3.696 1.00 1.00 H new ATOM 0 HG3 GLU A 117 -4.055 18.606 -2.466 1.00 1.00 H new ATOM 640 N SER A 118 -7.628 16.695 -5.852 1.00 1.00 N ATOM 641 CA SER A 118 -9.005 16.293 -6.185 1.00 1.00 C ATOM 642 C SER A 118 -9.055 15.053 -7.088 1.00 1.00 C ATOM 643 O SER A 118 -9.977 14.243 -6.981 1.00 1.00 O ATOM 644 CB SER A 118 -9.793 17.428 -6.851 1.00 1.00 C ATOM 645 OG SER A 118 -9.903 18.548 -5.989 1.00 1.00 O ATOM 0 H SER A 118 -7.353 17.591 -6.254 1.00 1.00 H new ATOM 0 HA SER A 118 -9.471 16.047 -5.231 1.00 1.00 H new ATOM 0 HB2 SER A 118 -9.298 17.724 -7.776 1.00 1.00 H new ATOM 0 HB3 SER A 118 -10.788 17.074 -7.121 1.00 1.00 H new ATOM 0 HG SER A 118 -9.116 19.122 -6.096 1.00 1.00 H new ATOM 651 N TRP A 119 -8.042 14.869 -7.942 1.00 1.00 N ATOM 652 CA TRP A 119 -7.878 13.673 -8.771 1.00 1.00 C ATOM 653 C TRP A 119 -7.365 12.438 -7.996 1.00 1.00 C ATOM 654 O TRP A 119 -7.296 11.351 -8.577 1.00 1.00 O ATOM 655 CB TRP A 119 -6.902 13.956 -9.923 1.00 1.00 C ATOM 656 CG TRP A 119 -7.082 15.185 -10.769 1.00 1.00 C ATOM 657 CD1 TRP A 119 -8.240 15.840 -11.017 1.00 1.00 C ATOM 658 CD2 TRP A 119 -6.052 15.902 -11.521 1.00 1.00 C ATOM 659 NE1 TRP A 119 -7.994 16.934 -11.827 1.00 1.00 N ATOM 660 CE2 TRP A 119 -6.660 17.022 -12.166 1.00 1.00 C ATOM 661 CE3 TRP A 119 -4.671 15.709 -11.746 1.00 1.00 C ATOM 662 CZ2 TRP A 119 -5.929 17.918 -12.961 1.00 1.00 C ATOM 663 CZ3 TRP A 119 -3.930 16.594 -12.552 1.00 1.00 C ATOM 664 CH2 TRP A 119 -4.554 17.703 -13.152 1.00 1.00 C ATOM 0 H TRP A 119 -7.303 15.558 -8.078 1.00 1.00 H new ATOM 0 HA TRP A 119 -8.876 13.437 -9.141 1.00 1.00 H new ATOM 0 HB2 TRP A 119 -5.900 13.998 -9.497 1.00 1.00 H new ATOM 0 HB3 TRP A 119 -6.928 13.095 -10.591 1.00 1.00 H new ATOM 0 HD1 TRP A 119 -9.210 15.552 -10.639 1.00 1.00 H new ATOM 0 HE1 TRP A 119 -8.709 17.593 -12.135 1.00 1.00 H new ATOM 0 HE3 TRP A 119 -4.173 14.866 -11.291 1.00 1.00 H new ATOM 0 HZ2 TRP A 119 -6.418 18.764 -13.421 1.00 1.00 H new ATOM 0 HZ3 TRP A 119 -2.876 16.420 -12.711 1.00 1.00 H new ATOM 0 HH2 TRP A 119 -3.978 18.387 -13.758 1.00 1.00 H new ATOM 675 N ALA A 120 -6.948 12.573 -6.729 1.00 1.00 N ATOM 676 CA ALA A 120 -6.311 11.498 -5.989 1.00 1.00 C ATOM 677 C ALA A 120 -7.252 10.352 -5.575 1.00 1.00 C ATOM 678 O ALA A 120 -8.484 10.430 -5.590 1.00 1.00 O ATOM 679 CB ALA A 120 -5.566 12.047 -4.764 1.00 1.00 C ATOM 0 H ALA A 120 -7.048 13.437 -6.196 1.00 1.00 H new ATOM 0 HA ALA A 120 -5.602 11.054 -6.688 1.00 1.00 H new ATOM 0 HB1 ALA A 120 -5.097 11.224 -4.225 1.00 1.00 H new ATOM 0 HB2 ALA A 120 -4.800 12.751 -5.089 1.00 1.00 H new ATOM 0 HB3 ALA A 120 -6.271 12.556 -4.107 1.00 1.00 H new ATOM 685 N THR A 121 -6.579 9.309 -5.120 1.00 1.00 N ATOM 686 CA THR A 121 -7.048 7.990 -4.679 1.00 1.00 C ATOM 687 C THR A 121 -6.193 7.570 -3.490 1.00 1.00 C ATOM 688 O THR A 121 -4.990 7.792 -3.502 1.00 1.00 O ATOM 689 CB THR A 121 -6.844 6.988 -5.816 1.00 1.00 C ATOM 690 OG1 THR A 121 -7.570 7.370 -6.969 1.00 1.00 O ATOM 691 CG2 THR A 121 -7.335 5.605 -5.402 1.00 1.00 C ATOM 0 H THR A 121 -5.564 9.366 -5.038 1.00 1.00 H new ATOM 0 HA THR A 121 -8.102 8.024 -4.405 1.00 1.00 H new ATOM 0 HB THR A 121 -5.777 6.968 -6.037 1.00 1.00 H new ATOM 0 HG1 THR A 121 -7.421 6.714 -7.682 1.00 1.00 H new ATOM 0 HG21 THR A 121 -7.182 4.904 -6.223 1.00 1.00 H new ATOM 0 HG22 THR A 121 -6.778 5.268 -4.528 1.00 1.00 H new ATOM 0 HG23 THR A 121 -8.396 5.653 -5.159 1.00 1.00 H new ATOM 699 N LEU A 122 -6.778 6.928 -2.484 1.00 1.00 N ATOM 700 CA LEU A 122 -6.088 6.552 -1.245 1.00 1.00 C ATOM 701 C LEU A 122 -5.826 5.040 -1.239 1.00 1.00 C ATOM 702 O LEU A 122 -6.747 4.234 -1.379 1.00 1.00 O ATOM 703 CB LEU A 122 -6.920 7.046 -0.050 1.00 1.00 C ATOM 704 CG LEU A 122 -6.100 7.283 1.239 1.00 1.00 C ATOM 705 CD1 LEU A 122 -7.009 7.884 2.310 1.00 1.00 C ATOM 706 CD2 LEU A 122 -5.467 6.011 1.809 1.00 1.00 C ATOM 0 H LEU A 122 -7.759 6.648 -2.502 1.00 1.00 H new ATOM 0 HA LEU A 122 -5.110 7.027 -1.171 1.00 1.00 H new ATOM 0 HB2 LEU A 122 -7.417 7.976 -0.327 1.00 1.00 H new ATOM 0 HB3 LEU A 122 -7.703 6.317 0.160 1.00 1.00 H new ATOM 0 HG LEU A 122 -5.288 7.957 0.966 1.00 1.00 H new ATOM 0 HD11 LEU A 122 -6.435 8.053 3.221 1.00 1.00 H new ATOM 0 HD12 LEU A 122 -7.413 8.832 1.954 1.00 1.00 H new ATOM 0 HD13 LEU A 122 -7.828 7.196 2.520 1.00 1.00 H new ATOM 0 HD21 LEU A 122 -4.908 6.256 2.712 1.00 1.00 H new ATOM 0 HD22 LEU A 122 -6.250 5.292 2.051 1.00 1.00 H new ATOM 0 HD23 LEU A 122 -4.792 5.578 1.071 1.00 1.00 H new ATOM 718 N LEU A 123 -4.551 4.675 -1.093 1.00 1.00 N ATOM 719 CA LEU A 123 -4.020 3.320 -1.186 1.00 1.00 C ATOM 720 C LEU A 123 -3.312 2.916 0.120 1.00 1.00 C ATOM 721 O LEU A 123 -2.447 3.620 0.642 1.00 1.00 O ATOM 722 CB LEU A 123 -3.067 3.252 -2.395 1.00 1.00 C ATOM 723 CG LEU A 123 -3.711 3.595 -3.747 1.00 1.00 C ATOM 724 CD1 LEU A 123 -2.646 3.454 -4.824 1.00 1.00 C ATOM 725 CD2 LEU A 123 -4.874 2.669 -4.115 1.00 1.00 C ATOM 0 H LEU A 123 -3.821 5.360 -0.895 1.00 1.00 H new ATOM 0 HA LEU A 123 -4.834 2.610 -1.331 1.00 1.00 H new ATOM 0 HB2 LEU A 123 -2.235 3.934 -2.222 1.00 1.00 H new ATOM 0 HB3 LEU A 123 -2.648 2.247 -2.453 1.00 1.00 H new ATOM 0 HG LEU A 123 -4.107 4.608 -3.672 1.00 1.00 H new ATOM 0 HD11 LEU A 123 -3.078 3.692 -5.796 1.00 1.00 H new ATOM 0 HD12 LEU A 123 -1.824 4.138 -4.614 1.00 1.00 H new ATOM 0 HD13 LEU A 123 -2.272 2.430 -4.834 1.00 1.00 H new ATOM 0 HD21 LEU A 123 -5.284 2.966 -5.080 1.00 1.00 H new ATOM 0 HD22 LEU A 123 -4.516 1.641 -4.173 1.00 1.00 H new ATOM 0 HD23 LEU A 123 -5.651 2.740 -3.354 1.00 1.00 H new ATOM 737 N GLY A 124 -3.694 1.748 0.635 1.00 1.00 N ATOM 738 CA GLY A 124 -3.251 1.239 1.946 1.00 1.00 C ATOM 739 C GLY A 124 -1.824 0.666 1.980 1.00 1.00 C ATOM 740 O GLY A 124 -1.245 0.531 3.062 1.00 1.00 O ATOM 0 H GLY A 124 -4.330 1.114 0.151 1.00 1.00 H new ATOM 0 HA2 GLY A 124 -3.317 2.048 2.673 1.00 1.00 H new ATOM 0 HA3 GLY A 124 -3.944 0.463 2.269 1.00 1.00 H new ATOM 744 N HIS A 125 -1.251 0.344 0.813 1.00 1.00 N ATOM 745 CA HIS A 125 0.106 -0.201 0.628 1.00 1.00 C ATOM 746 C HIS A 125 0.693 0.227 -0.733 1.00 1.00 C ATOM 747 O HIS A 125 -0.065 0.325 -1.723 1.00 1.00 O ATOM 748 CB HIS A 125 0.057 -1.727 0.795 1.00 1.00 C ATOM 749 CG HIS A 125 1.395 -2.437 0.823 1.00 1.00 C ATOM 750 ND1 HIS A 125 2.597 -1.968 0.323 1.00 1.00 N ATOM 751 CD2 HIS A 125 1.631 -3.680 1.346 1.00 1.00 C ATOM 752 CE1 HIS A 125 3.547 -2.899 0.539 1.00 1.00 C ATOM 753 NE2 HIS A 125 2.978 -3.954 1.162 1.00 1.00 N ATOM 0 H HIS A 125 -1.743 0.461 -0.073 1.00 1.00 H new ATOM 0 HA HIS A 125 0.776 0.204 1.386 1.00 1.00 H new ATOM 0 HB2 HIS A 125 -0.472 -1.954 1.721 1.00 1.00 H new ATOM 0 HB3 HIS A 125 -0.535 -2.143 -0.020 1.00 1.00 H new ATOM 0 HD2 HIS A 125 0.904 -4.327 1.815 1.00 1.00 H new ATOM 0 HE1 HIS A 125 4.587 -2.816 0.261 1.00 1.00 H new ATOM 0 HE2 HIS A 125 3.458 -4.807 1.448 1.00 1.00 H new TER 762 HIS A 125 ATOM 763 O5' DC B 1 -3.253 28.202 6.272 1.00 1.00 O ATOM 764 C5' DC B 1 -3.435 29.329 7.138 1.00 1.00 C ATOM 765 C4' DC B 1 -2.711 29.205 8.495 1.00 1.00 C ATOM 766 O4' DC B 1 -3.299 28.185 9.299 1.00 1.00 O ATOM 767 C3' DC B 1 -1.214 28.914 8.324 1.00 1.00 C ATOM 768 O3' DC B 1 -0.442 29.814 9.120 1.00 1.00 O ATOM 769 C2' DC B 1 -1.108 27.452 8.740 1.00 1.00 C ATOM 770 C1' DC B 1 -2.302 27.246 9.675 1.00 1.00 C ATOM 771 N1 DC B 1 -2.873 25.880 9.616 1.00 1.00 N ATOM 772 C2 DC B 1 -3.135 25.162 10.791 1.00 1.00 C ATOM 773 O2 DC B 1 -2.844 25.600 11.906 1.00 1.00 O ATOM 774 N3 DC B 1 -3.732 23.945 10.739 1.00 1.00 N ATOM 775 C4 DC B 1 -4.016 23.440 9.555 1.00 1.00 C ATOM 776 N4 DC B 1 -4.612 22.282 9.564 1.00 1.00 N ATOM 777 C5 DC B 1 -3.760 24.118 8.329 1.00 1.00 C ATOM 778 C6 DC B 1 -3.192 25.340 8.408 1.00 1.00 C ATOM 0 H5' DC B 1 -4.501 29.466 7.319 1.00 1.00 H new ATOM 0 H5'' DC B 1 -3.080 30.225 6.630 1.00 1.00 H new ATOM 0 H4' DC B 1 -2.821 30.168 8.994 1.00 1.00 H new ATOM 0 H3' DC B 1 -0.823 29.063 7.317 1.00 1.00 H new ATOM 0 H2' DC B 1 -1.157 26.787 7.878 1.00 1.00 H new ATOM 0 H2'' DC B 1 -0.165 27.248 9.246 1.00 1.00 H new ATOM 0 HO5' DC B 1 -3.740 28.351 5.435 1.00 1.00 H new ATOM 0 H1' DC B 1 -1.958 27.387 10.700 1.00 1.00 H new ATOM 0 H41 DC B 1 -4.862 21.830 8.684 1.00 1.00 H new ATOM 0 H42 DC B 1 -4.828 21.827 10.451 1.00 1.00 H new ATOM 0 H5 DC B 1 -4.010 23.674 7.377 1.00 1.00 H new ATOM 0 H6 DC B 1 -2.989 25.895 7.504 1.00 1.00 H new ATOM 791 P DG B 2 1.181 29.812 9.129 1.00 1.00 P ATOM 792 OP1 DG B 2 1.631 31.182 9.503 1.00 1.00 O ATOM 793 OP2 DG B 2 1.671 29.241 7.844 1.00 1.00 O ATOM 794 O5' DG B 2 1.583 28.786 10.328 1.00 1.00 O ATOM 795 C5' DG B 2 1.339 29.120 11.693 1.00 1.00 C ATOM 796 C4' DG B 2 1.814 28.056 12.707 1.00 1.00 C ATOM 797 O4' DG B 2 0.916 26.946 12.740 1.00 1.00 O ATOM 798 C3' DG B 2 3.234 27.525 12.421 1.00 1.00 C ATOM 799 O3' DG B 2 4.002 27.499 13.625 1.00 1.00 O ATOM 800 C2' DG B 2 2.919 26.149 11.836 1.00 1.00 C ATOM 801 C1' DG B 2 1.668 25.748 12.612 1.00 1.00 C ATOM 802 N9 DG B 2 0.863 24.715 11.924 1.00 1.00 N ATOM 803 C8 DG B 2 0.504 24.690 10.607 1.00 1.00 C ATOM 804 N7 DG B 2 -0.262 23.688 10.266 1.00 1.00 N ATOM 805 C5 DG B 2 -0.391 22.965 11.462 1.00 1.00 C ATOM 806 C6 DG B 2 -1.095 21.745 11.771 1.00 1.00 C ATOM 807 O6 DG B 2 -1.829 21.061 11.059 1.00 1.00 O ATOM 808 N1 DG B 2 -0.907 21.312 13.065 1.00 1.00 N ATOM 809 C2 DG B 2 -0.168 21.980 13.979 1.00 1.00 C ATOM 810 N2 DG B 2 -0.072 21.433 15.161 1.00 1.00 N ATOM 811 N3 DG B 2 0.469 23.131 13.763 1.00 1.00 N ATOM 812 C4 DG B 2 0.324 23.574 12.476 1.00 1.00 C ATOM 0 H5' DG B 2 0.270 29.281 11.829 1.00 1.00 H new ATOM 0 H5'' DG B 2 1.835 30.064 11.917 1.00 1.00 H new ATOM 0 H4' DG B 2 1.833 28.565 13.671 1.00 1.00 H new ATOM 0 H3' DG B 2 3.848 28.124 11.748 1.00 1.00 H new ATOM 0 H2' DG B 2 2.735 26.195 10.763 1.00 1.00 H new ATOM 0 H2'' DG B 2 3.737 25.445 11.989 1.00 1.00 H new ATOM 0 H1' DG B 2 1.943 25.306 13.570 1.00 1.00 H new ATOM 0 H8 DG B 2 0.828 25.441 9.901 1.00 1.00 H new ATOM 0 H1 DG B 2 -1.350 20.438 13.350 1.00 1.00 H new ATOM 0 H21 DG B 2 0.472 21.891 15.892 1.00 1.00 H new ATOM 0 H22 DG B 2 -0.541 20.548 15.353 1.00 1.00 H new ATOM 824 P DC B 3 5.555 27.020 13.681 1.00 1.00 P ATOM 825 OP1 DC B 3 6.240 27.812 14.742 1.00 1.00 O ATOM 826 OP2 DC B 3 6.128 27.035 12.305 1.00 1.00 O ATOM 827 O5' DC B 3 5.449 25.476 14.177 1.00 1.00 O ATOM 828 C5' DC B 3 5.015 25.170 15.500 1.00 1.00 C ATOM 829 C4' DC B 3 4.854 23.666 15.778 1.00 1.00 C ATOM 830 O4' DC B 3 3.789 23.141 14.999 1.00 1.00 O ATOM 831 C3' DC B 3 6.129 22.845 15.512 1.00 1.00 C ATOM 832 O3' DC B 3 6.630 22.304 16.736 1.00 1.00 O ATOM 833 C2' DC B 3 5.667 21.774 14.523 1.00 1.00 C ATOM 834 C1' DC B 3 4.142 21.852 14.543 1.00 1.00 C ATOM 835 N1 DC B 3 3.551 21.638 13.199 1.00 1.00 N ATOM 836 C2 DC B 3 2.713 20.541 12.971 1.00 1.00 C ATOM 837 O2 DC B 3 2.485 19.700 13.841 1.00 1.00 O ATOM 838 N3 DC B 3 2.113 20.363 11.773 1.00 1.00 N ATOM 839 C4 DC B 3 2.368 21.230 10.818 1.00 1.00 C ATOM 840 N4 DC B 3 1.746 21.007 9.696 1.00 1.00 N ATOM 841 C5 DC B 3 3.235 22.352 10.971 1.00 1.00 C ATOM 842 C6 DC B 3 3.812 22.522 12.191 1.00 1.00 C ATOM 0 H5' DC B 3 4.061 25.666 15.681 1.00 1.00 H new ATOM 0 H5'' DC B 3 5.730 25.585 16.210 1.00 1.00 H new ATOM 0 H4' DC B 3 4.638 23.577 16.843 1.00 1.00 H new ATOM 0 H3' DC B 3 6.958 23.425 15.105 1.00 1.00 H new ATOM 0 H2' DC B 3 6.059 21.963 13.524 1.00 1.00 H new ATOM 0 H2'' DC B 3 6.016 20.785 14.820 1.00 1.00 H new ATOM 0 H1' DC B 3 3.759 21.067 15.195 1.00 1.00 H new ATOM 0 H41 DC B 3 1.887 21.632 8.902 1.00 1.00 H new ATOM 0 H42 DC B 3 1.118 20.208 9.611 1.00 1.00 H new ATOM 0 H5 DC B 3 3.425 23.035 10.156 1.00 1.00 H new ATOM 0 H6 DC B 3 4.476 23.356 12.363 1.00 1.00 H new ATOM 854 P DA B 4 8.061 21.532 16.843 1.00 1.00 P ATOM 855 OP1 DA B 4 8.453 21.501 18.280 1.00 1.00 O ATOM 856 OP2 DA B 4 9.012 22.136 15.866 1.00 1.00 O ATOM 857 O5' DA B 4 7.743 20.012 16.370 1.00 1.00 O ATOM 858 C5' DA B 4 6.867 19.175 17.124 1.00 1.00 C ATOM 859 C4' DA B 4 6.542 17.831 16.444 1.00 1.00 C ATOM 860 O4' DA B 4 5.620 17.987 15.369 1.00 1.00 O ATOM 861 C3' DA B 4 7.782 17.085 15.914 1.00 1.00 C ATOM 862 O3' DA B 4 7.858 15.782 16.490 1.00 1.00 O ATOM 863 C2' DA B 4 7.529 17.094 14.406 1.00 1.00 C ATOM 864 C1' DA B 4 6.006 17.102 14.333 1.00 1.00 C ATOM 865 N9 DA B 4 5.520 17.617 13.042 1.00 1.00 N ATOM 866 C8 DA B 4 5.876 18.799 12.459 1.00 1.00 C ATOM 867 N7 DA B 4 5.239 19.077 11.354 1.00 1.00 N ATOM 868 C5 DA B 4 4.445 17.934 11.172 1.00 1.00 C ATOM 869 C6 DA B 4 3.528 17.505 10.182 1.00 1.00 C ATOM 870 N6 DA B 4 3.160 18.233 9.148 1.00 1.00 N ATOM 871 N1 DA B 4 2.951 16.302 10.230 1.00 1.00 N ATOM 872 C2 DA B 4 3.246 15.525 11.265 1.00 1.00 C ATOM 873 N3 DA B 4 4.063 15.788 12.279 1.00 1.00 N ATOM 874 C4 DA B 4 4.636 17.021 12.173 1.00 1.00 C ATOM 0 H5' DA B 4 5.936 19.712 17.307 1.00 1.00 H new ATOM 0 H5'' DA B 4 7.318 18.978 18.097 1.00 1.00 H new ATOM 0 H4' DA B 4 6.097 17.230 17.237 1.00 1.00 H new ATOM 0 H3' DA B 4 8.745 17.530 16.165 1.00 1.00 H new ATOM 0 H2' DA B 4 7.964 17.971 13.926 1.00 1.00 H new ATOM 0 H2'' DA B 4 7.955 16.218 13.917 1.00 1.00 H new ATOM 0 H1' DA B 4 5.595 16.097 14.434 1.00 1.00 H new ATOM 0 H8 DA B 4 6.626 19.453 12.879 1.00 1.00 H new ATOM 0 H61 DA B 4 2.494 17.859 8.472 1.00 1.00 H new ATOM 0 H62 DA B 4 3.541 19.171 9.023 1.00 1.00 H new ATOM 0 H2 DA B 4 2.762 14.560 11.285 1.00 1.00 H new ATOM 886 P DT B 5 9.143 14.811 16.289 1.00 1.00 P ATOM 887 OP1 DT B 5 9.221 13.908 17.473 1.00 1.00 O ATOM 888 OP2 DT B 5 10.339 15.634 15.954 1.00 1.00 O ATOM 889 O5' DT B 5 8.759 13.924 14.988 1.00 1.00 O ATOM 890 C5' DT B 5 7.725 12.945 15.053 1.00 1.00 C ATOM 891 C4' DT B 5 7.461 12.242 13.712 1.00 1.00 C ATOM 892 O4' DT B 5 6.812 13.127 12.801 1.00 1.00 O ATOM 893 C3' DT B 5 8.737 11.693 13.046 1.00 1.00 C ATOM 894 O3' DT B 5 8.604 10.292 12.805 1.00 1.00 O ATOM 895 C2' DT B 5 8.832 12.543 11.779 1.00 1.00 C ATOM 896 C1' DT B 5 7.375 12.927 11.520 1.00 1.00 C ATOM 897 N1 DT B 5 7.187 14.158 10.701 1.00 1.00 N ATOM 898 C2 DT B 5 6.268 14.110 9.646 1.00 1.00 C ATOM 899 O2 DT B 5 5.655 13.095 9.320 1.00 1.00 O ATOM 900 N3 DT B 5 6.065 15.272 8.937 1.00 1.00 N ATOM 901 C4 DT B 5 6.725 16.461 9.152 1.00 1.00 C ATOM 902 O4 DT B 5 6.436 17.432 8.458 1.00 1.00 O ATOM 903 C5 DT B 5 7.718 16.430 10.223 1.00 1.00 C ATOM 904 C7 DT B 5 8.579 17.646 10.508 1.00 1.00 C ATOM 905 C6 DT B 5 7.896 15.312 10.972 1.00 1.00 C ATOM 0 H5' DT B 5 6.805 13.422 15.392 1.00 1.00 H new ATOM 0 H5'' DT B 5 7.990 12.197 15.800 1.00 1.00 H new ATOM 0 H4' DT B 5 6.819 11.393 13.946 1.00 1.00 H new ATOM 0 H3' DT B 5 9.646 11.766 13.644 1.00 1.00 H new ATOM 0 H2' DT B 5 9.462 13.420 11.927 1.00 1.00 H new ATOM 0 H2'' DT B 5 9.257 11.982 10.946 1.00 1.00 H new ATOM 0 H1' DT B 5 6.902 12.136 10.939 1.00 1.00 H new ATOM 0 H3 DT B 5 5.369 15.251 8.192 1.00 1.00 H new ATOM 0 H71 DT B 5 8.838 17.669 11.567 1.00 1.00 H new ATOM 0 H72 DT B 5 9.491 17.594 9.913 1.00 1.00 H new ATOM 0 H73 DT B 5 8.028 18.550 10.250 1.00 1.00 H new ATOM 0 H6 DT B 5 8.601 15.325 11.790 1.00 1.00 H new ATOM 918 P DA B 6 9.774 9.396 12.121 1.00 1.00 P ATOM 919 OP1 DA B 6 9.745 8.042 12.744 1.00 1.00 O ATOM 920 OP2 DA B 6 11.059 10.153 12.133 1.00 1.00 O ATOM 921 O5' DA B 6 9.267 9.277 10.584 1.00 1.00 O ATOM 922 C5' DA B 6 8.067 8.574 10.282 1.00 1.00 C ATOM 923 C4' DA B 6 7.718 8.524 8.788 1.00 1.00 C ATOM 924 O4' DA B 6 7.286 9.805 8.326 1.00 1.00 O ATOM 925 C3' DA B 6 8.870 8.030 7.900 1.00 1.00 C ATOM 926 O3' DA B 6 8.373 7.051 6.994 1.00 1.00 O ATOM 927 C2' DA B 6 9.351 9.334 7.269 1.00 1.00 C ATOM 928 C1' DA B 6 8.101 10.211 7.239 1.00 1.00 C ATOM 929 N9 DA B 6 8.412 11.650 7.356 1.00 1.00 N ATOM 930 C8 DA B 6 9.361 12.244 8.146 1.00 1.00 C ATOM 931 N7 DA B 6 9.471 13.538 7.997 1.00 1.00 N ATOM 932 C5 DA B 6 8.521 13.804 7.000 1.00 1.00 C ATOM 933 C6 DA B 6 8.110 14.966 6.303 1.00 1.00 C ATOM 934 N6 DA B 6 8.613 16.173 6.490 1.00 1.00 N ATOM 935 N1 DA B 6 7.169 14.914 5.363 1.00 1.00 N ATOM 936 C2 DA B 6 6.617 13.736 5.099 1.00 1.00 C ATOM 937 N3 DA B 6 6.886 12.568 5.667 1.00 1.00 N ATOM 938 C4 DA B 6 7.861 12.668 6.614 1.00 1.00 C ATOM 0 H5' DA B 6 7.242 9.041 10.820 1.00 1.00 H new ATOM 0 H5'' DA B 6 8.154 7.554 10.656 1.00 1.00 H new ATOM 0 H4' DA B 6 6.910 7.797 8.702 1.00 1.00 H new ATOM 0 H3' DA B 6 9.694 7.517 8.396 1.00 1.00 H new ATOM 0 H2' DA B 6 10.147 9.792 7.856 1.00 1.00 H new ATOM 0 H2'' DA B 6 9.748 9.170 6.267 1.00 1.00 H new ATOM 0 H1' DA B 6 7.598 10.085 6.280 1.00 1.00 H new ATOM 0 H8 DA B 6 9.972 11.685 8.839 1.00 1.00 H new ATOM 0 H61 DA B 6 8.262 16.962 5.946 1.00 1.00 H new ATOM 0 H62 DA B 6 9.352 16.316 7.178 1.00 1.00 H new ATOM 0 H2 DA B 6 5.859 13.728 4.330 1.00 1.00 H new ATOM 950 P DT B 7 9.266 6.380 5.816 1.00 1.00 P ATOM 951 OP1 DT B 7 8.707 5.030 5.522 1.00 1.00 O ATOM 952 OP2 DT B 7 10.714 6.494 6.150 1.00 1.00 O ATOM 953 O5' DT B 7 8.934 7.359 4.570 1.00 1.00 O ATOM 954 C5' DT B 7 7.589 7.516 4.134 1.00 1.00 C ATOM 955 C4' DT B 7 7.394 8.662 3.137 1.00 1.00 C ATOM 956 O4' DT B 7 7.749 9.908 3.720 1.00 1.00 O ATOM 957 C3' DT B 7 8.192 8.487 1.835 1.00 1.00 C ATOM 958 O3' DT B 7 7.314 8.699 0.736 1.00 1.00 O ATOM 959 C2' DT B 7 9.228 9.594 1.955 1.00 1.00 C ATOM 960 C1' DT B 7 8.427 10.642 2.720 1.00 1.00 C ATOM 961 N1 DT B 7 9.276 11.690 3.331 1.00 1.00 N ATOM 962 C2 DT B 7 9.066 13.022 2.953 1.00 1.00 C ATOM 963 O2 DT B 7 8.269 13.383 2.086 1.00 1.00 O ATOM 964 N3 DT B 7 9.824 13.966 3.594 1.00 1.00 N ATOM 965 C4 DT B 7 10.810 13.720 4.512 1.00 1.00 C ATOM 966 O4 DT B 7 11.416 14.685 4.978 1.00 1.00 O ATOM 967 C5 DT B 7 11.025 12.304 4.824 1.00 1.00 C ATOM 968 C7 DT B 7 12.106 11.891 5.805 1.00 1.00 C ATOM 969 C6 DT B 7 10.259 11.348 4.232 1.00 1.00 C ATOM 0 H5' DT B 7 6.953 7.689 5.002 1.00 1.00 H new ATOM 0 H5'' DT B 7 7.255 6.586 3.675 1.00 1.00 H new ATOM 0 H4' DT B 7 6.334 8.644 2.884 1.00 1.00 H new ATOM 0 H3' DT B 7 8.643 7.506 1.683 1.00 1.00 H new ATOM 0 H2' DT B 7 10.117 9.273 2.499 1.00 1.00 H new ATOM 0 H2'' DT B 7 9.562 9.956 0.983 1.00 1.00 H new ATOM 0 H1' DT B 7 7.757 11.182 2.051 1.00 1.00 H new ATOM 0 H3 DT B 7 9.637 14.942 3.366 1.00 1.00 H new ATOM 0 H71 DT B 7 11.808 10.972 6.309 1.00 1.00 H new ATOM 0 H72 DT B 7 13.040 11.724 5.268 1.00 1.00 H new ATOM 0 H73 DT B 7 12.248 12.680 6.544 1.00 1.00 H new ATOM 0 H6 DT B 7 10.424 10.308 4.472 1.00 1.00 H new ATOM 982 P DA B 8 7.562 8.062 -0.723 1.00 1.00 P ATOM 983 OP1 DA B 8 6.259 8.101 -1.436 1.00 1.00 O ATOM 984 OP2 DA B 8 8.209 6.736 -0.548 1.00 1.00 O ATOM 985 O5' DA B 8 8.585 9.073 -1.445 1.00 1.00 O ATOM 986 C5' DA B 8 8.092 10.211 -2.138 1.00 1.00 C ATOM 987 C4' DA B 8 9.177 11.189 -2.615 1.00 1.00 C ATOM 988 O4' DA B 8 9.574 12.032 -1.547 1.00 1.00 O ATOM 989 C3' DA B 8 10.445 10.543 -3.216 1.00 1.00 C ATOM 990 O3' DA B 8 10.558 10.852 -4.606 1.00 1.00 O ATOM 991 C2' DA B 8 11.561 11.145 -2.360 1.00 1.00 C ATOM 992 C1' DA B 8 10.918 12.391 -1.770 1.00 1.00 C ATOM 993 N9 DA B 8 11.508 12.824 -0.483 1.00 1.00 N ATOM 994 C8 DA B 8 11.755 12.101 0.662 1.00 1.00 C ATOM 995 N7 DA B 8 12.238 12.803 1.656 1.00 1.00 N ATOM 996 C5 DA B 8 12.321 14.095 1.114 1.00 1.00 C ATOM 997 C6 DA B 8 12.735 15.373 1.583 1.00 1.00 C ATOM 998 N6 DA B 8 13.128 15.673 2.806 1.00 1.00 N ATOM 999 N1 DA B 8 12.690 16.445 0.793 1.00 1.00 N ATOM 1000 C2 DA B 8 12.235 16.289 -0.434 1.00 1.00 C ATOM 1001 N3 DA B 8 11.806 15.183 -1.017 1.00 1.00 N ATOM 1002 C4 DA B 8 11.882 14.110 -0.185 1.00 1.00 C ATOM 0 H5' DA B 8 7.401 10.745 -1.487 1.00 1.00 H new ATOM 0 H5'' DA B 8 7.520 9.874 -3.002 1.00 1.00 H new ATOM 0 H4' DA B 8 8.703 11.742 -3.426 1.00 1.00 H new ATOM 0 H3' DA B 8 10.458 9.453 -3.190 1.00 1.00 H new ATOM 0 H2' DA B 8 11.888 10.455 -1.582 1.00 1.00 H new ATOM 0 H2'' DA B 8 12.439 11.390 -2.958 1.00 1.00 H new ATOM 0 H1' DA B 8 11.060 13.227 -2.455 1.00 1.00 H new ATOM 0 H8 DA B 8 11.566 11.040 0.735 1.00 1.00 H new ATOM 0 H61 DA B 8 13.405 16.628 3.033 1.00 1.00 H new ATOM 0 H62 DA B 8 13.155 14.950 3.525 1.00 1.00 H new ATOM 0 H2 DA B 8 12.209 17.181 -1.042 1.00 1.00 H new ATOM 1014 P DT B 9 11.795 10.316 -5.526 1.00 1.00 P ATOM 1015 OP1 DT B 9 11.218 9.845 -6.812 1.00 1.00 O ATOM 1016 OP2 DT B 9 12.666 9.390 -4.750 1.00 1.00 O ATOM 1017 O5' DT B 9 12.607 11.688 -5.793 1.00 1.00 O ATOM 1018 C5' DT B 9 12.005 12.736 -6.546 1.00 1.00 C ATOM 1019 C4' DT B 9 12.865 14.003 -6.658 1.00 1.00 C ATOM 1020 O4' DT B 9 12.951 14.632 -5.386 1.00 1.00 O ATOM 1021 C3' DT B 9 14.280 13.724 -7.188 1.00 1.00 C ATOM 1022 O3' DT B 9 14.582 14.610 -8.265 1.00 1.00 O ATOM 1023 C2' DT B 9 15.135 13.920 -5.944 1.00 1.00 C ATOM 1024 C1' DT B 9 14.307 14.878 -5.084 1.00 1.00 C ATOM 1025 N1 DT B 9 14.532 14.704 -3.626 1.00 1.00 N ATOM 1026 C2 DT B 9 14.810 15.846 -2.864 1.00 1.00 C ATOM 1027 O2 DT B 9 14.774 16.997 -3.304 1.00 1.00 O ATOM 1028 N3 DT B 9 15.145 15.641 -1.544 1.00 1.00 N ATOM 1029 C4 DT B 9 15.190 14.424 -0.910 1.00 1.00 C ATOM 1030 O4 DT B 9 15.453 14.398 0.290 1.00 1.00 O ATOM 1031 C5 DT B 9 14.876 13.272 -1.752 1.00 1.00 C ATOM 1032 C7 DT B 9 14.940 11.871 -1.175 1.00 1.00 C ATOM 1033 C6 DT B 9 14.535 13.446 -3.054 1.00 1.00 C ATOM 0 H5' DT B 9 11.051 12.997 -6.087 1.00 1.00 H new ATOM 0 H5'' DT B 9 11.786 12.369 -7.549 1.00 1.00 H new ATOM 0 H4' DT B 9 12.377 14.657 -7.380 1.00 1.00 H new ATOM 0 H3' DT B 9 14.437 12.736 -7.620 1.00 1.00 H new ATOM 0 H2' DT B 9 15.317 12.976 -5.430 1.00 1.00 H new ATOM 0 H2'' DT B 9 16.109 14.342 -6.190 1.00 1.00 H new ATOM 0 H1' DT B 9 14.607 15.901 -5.313 1.00 1.00 H new ATOM 0 H3 DT B 9 15.380 16.464 -0.990 1.00 1.00 H new ATOM 0 H71 DT B 9 14.219 11.233 -1.687 1.00 1.00 H new ATOM 0 H72 DT B 9 15.943 11.467 -1.312 1.00 1.00 H new ATOM 0 H73 DT B 9 14.704 11.904 -0.111 1.00 1.00 H new ATOM 0 H6 DT B 9 14.262 12.589 -3.652 1.00 1.00 H new ATOM 1046 P DG B 10 16.028 14.637 -9.003 1.00 1.00 P ATOM 1047 OP1 DG B 10 15.818 15.118 -10.394 1.00 1.00 O ATOM 1048 OP2 DG B 10 16.730 13.340 -8.792 1.00 1.00 O ATOM 1049 O5' DG B 10 16.805 15.795 -8.190 1.00 1.00 O ATOM 1050 C5' DG B 10 16.341 17.143 -8.221 1.00 1.00 C ATOM 1051 C4' DG B 10 17.240 18.119 -7.444 1.00 1.00 C ATOM 1052 O4' DG B 10 17.100 17.919 -6.040 1.00 1.00 O ATOM 1053 C3' DG B 10 18.726 17.981 -7.822 1.00 1.00 C ATOM 1054 O3' DG B 10 19.300 19.272 -8.024 1.00 1.00 O ATOM 1055 C2' DG B 10 19.264 17.229 -6.604 1.00 1.00 C ATOM 1056 C1' DG B 10 18.396 17.786 -5.481 1.00 1.00 C ATOM 1057 N9 DG B 10 18.356 16.906 -4.296 1.00 1.00 N ATOM 1058 C8 DG B 10 18.148 15.556 -4.270 1.00 1.00 C ATOM 1059 N7 DG B 10 18.133 15.031 -3.073 1.00 1.00 N ATOM 1060 C5 DG B 10 18.399 16.127 -2.238 1.00 1.00 C ATOM 1061 C6 DG B 10 18.560 16.222 -0.807 1.00 1.00 C ATOM 1062 O6 DG B 10 18.435 15.349 0.053 1.00 1.00 O ATOM 1063 N1 DG B 10 18.919 17.480 -0.376 1.00 1.00 N ATOM 1064 C2 DG B 10 19.069 18.539 -1.202 1.00 1.00 C ATOM 1065 N2 DG B 10 19.428 19.662 -0.642 1.00 1.00 N ATOM 1066 N3 DG B 10 18.891 18.521 -2.522 1.00 1.00 N ATOM 1067 C4 DG B 10 18.563 17.276 -2.986 1.00 1.00 C ATOM 0 H5' DG B 10 15.333 17.182 -7.807 1.00 1.00 H new ATOM 0 H5'' DG B 10 16.273 17.472 -9.258 1.00 1.00 H new ATOM 0 H4' DG B 10 16.912 19.122 -7.716 1.00 1.00 H new ATOM 0 H3' DG B 10 18.945 17.461 -8.754 1.00 1.00 H new ATOM 0 H2' DG B 10 19.153 16.150 -6.709 1.00 1.00 H new ATOM 0 H2'' DG B 10 20.323 17.426 -6.438 1.00 1.00 H new ATOM 0 H1' DG B 10 18.802 18.732 -5.123 1.00 1.00 H new ATOM 0 H8 DG B 10 18.007 14.970 -5.166 1.00 1.00 H new ATOM 0 H1 DG B 10 19.080 17.620 0.621 1.00 1.00 H new ATOM 0 H21 DG B 10 19.558 20.498 -1.212 1.00 1.00 H new ATOM 0 H22 DG B 10 19.579 19.704 0.366 1.00 1.00 H new ATOM 1079 P DC B 11 20.820 19.497 -8.556 1.00 1.00 P ATOM 1080 OP1 DC B 11 20.788 20.573 -9.588 1.00 1.00 O ATOM 1081 OP2 DC B 11 21.429 18.187 -8.920 1.00 1.00 O ATOM 1082 O5' DC B 11 21.588 20.062 -7.246 1.00 1.00 O ATOM 1083 C5' DC B 11 21.240 21.330 -6.690 1.00 1.00 C ATOM 1084 C4' DC B 11 22.087 21.746 -5.471 1.00 1.00 C ATOM 1085 O4' DC B 11 21.778 20.925 -4.348 1.00 1.00 O ATOM 1086 C3' DC B 11 23.601 21.682 -5.743 1.00 1.00 C ATOM 1087 O3' DC B 11 24.245 22.855 -5.240 1.00 1.00 O ATOM 1088 C2' DC B 11 23.990 20.386 -5.029 1.00 1.00 C ATOM 1089 C1' DC B 11 22.962 20.288 -3.896 1.00 1.00 C ATOM 1090 N1 DC B 11 22.630 18.910 -3.449 1.00 1.00 N ATOM 1091 C2 DC B 11 22.601 18.607 -2.080 1.00 1.00 C ATOM 1092 O2 DC B 11 22.924 19.422 -1.215 1.00 1.00 O ATOM 1093 N3 DC B 11 22.224 17.378 -1.650 1.00 1.00 N ATOM 1094 C4 DC B 11 21.888 16.481 -2.551 1.00 1.00 C ATOM 1095 N4 DC B 11 21.482 15.337 -2.083 1.00 1.00 N ATOM 1096 C5 DC B 11 21.923 16.713 -3.953 1.00 1.00 C ATOM 1097 C6 DC B 11 22.297 17.952 -4.362 1.00 1.00 C ATOM 0 H5' DC B 11 20.190 21.309 -6.397 1.00 1.00 H new ATOM 0 H5'' DC B 11 21.340 22.092 -7.463 1.00 1.00 H new ATOM 0 H4' DC B 11 21.833 22.785 -5.261 1.00 1.00 H new ATOM 0 H3' DC B 11 23.895 21.666 -6.793 1.00 1.00 H new ATOM 0 H2' DC B 11 23.936 19.526 -5.697 1.00 1.00 H new ATOM 0 H2'' DC B 11 25.009 20.428 -4.645 1.00 1.00 H new ATOM 0 H1' DC B 11 23.409 20.765 -3.024 1.00 1.00 H new ATOM 0 H41 DC B 11 21.205 14.593 -2.724 1.00 1.00 H new ATOM 0 H42 DC B 11 21.441 15.184 -1.075 1.00 1.00 H new ATOM 0 H5 DC B 11 21.664 15.939 -4.660 1.00 1.00 H new ATOM 0 H6 DC B 11 22.331 18.181 -5.417 1.00 1.00 H new ATOM 1109 P DG B 12 25.794 23.218 -5.577 1.00 1.00 P ATOM 1110 OP1 DG B 12 25.989 24.673 -5.312 1.00 1.00 O ATOM 1111 OP2 DG B 12 26.132 22.697 -6.932 1.00 1.00 O ATOM 1112 O5' DG B 12 26.649 22.378 -4.485 1.00 1.00 O ATOM 1113 C5' DG B 12 26.647 22.745 -3.108 1.00 1.00 C ATOM 1114 C4' DG B 12 27.149 21.626 -2.180 1.00 1.00 C ATOM 1115 O4' DG B 12 26.225 20.552 -2.121 1.00 1.00 O ATOM 1116 C3' DG B 12 28.502 21.015 -2.569 1.00 1.00 C ATOM 1117 O3' DG B 12 29.593 21.651 -1.907 1.00 1.00 O ATOM 1118 C2' DG B 12 28.370 19.555 -2.129 1.00 1.00 C ATOM 1119 C1' DG B 12 26.928 19.433 -1.619 1.00 1.00 C ATOM 1120 N9 DG B 12 26.278 18.184 -2.059 1.00 1.00 N ATOM 1121 C8 DG B 12 26.050 17.767 -3.339 1.00 1.00 C ATOM 1122 N7 DG B 12 25.494 16.586 -3.432 1.00 1.00 N ATOM 1123 C5 DG B 12 25.359 16.184 -2.091 1.00 1.00 C ATOM 1124 C6 DG B 12 24.839 14.978 -1.490 1.00 1.00 C ATOM 1125 O6 DG B 12 24.360 13.972 -2.015 1.00 1.00 O ATOM 1126 N1 DG B 12 24.904 14.980 -0.115 1.00 1.00 N ATOM 1127 C2 DG B 12 25.434 15.986 0.618 1.00 1.00 C ATOM 1128 N2 DG B 12 25.488 15.818 1.912 1.00 1.00 N ATOM 1129 N3 DG B 12 25.922 17.117 0.119 1.00 1.00 N ATOM 1130 C4 DG B 12 25.847 17.162 -1.247 1.00 1.00 C ATOM 0 H5' DG B 12 25.635 23.024 -2.815 1.00 1.00 H new ATOM 0 H5'' DG B 12 27.273 23.627 -2.973 1.00 1.00 H new ATOM 0 H4' DG B 12 27.263 22.130 -1.220 1.00 1.00 H new ATOM 0 H3' DG B 12 28.716 21.131 -3.631 1.00 1.00 H new ATOM 0 H2' DG B 12 28.556 18.873 -2.958 1.00 1.00 H new ATOM 0 H2'' DG B 12 29.089 19.310 -1.347 1.00 1.00 H new ATOM 0 HO3' DG B 12 30.434 21.229 -2.183 1.00 1.00 H new ATOM 0 H1' DG B 12 26.926 19.406 -0.529 1.00 1.00 H new ATOM 0 H8 DG B 12 26.307 18.362 -4.203 1.00 1.00 H new ATOM 0 H1 DG B 12 24.529 14.172 0.382 1.00 1.00 H new ATOM 0 H21 DG B 12 25.879 16.549 2.505 1.00 1.00 H new ATOM 0 H22 DG B 12 25.139 14.955 2.329 1.00 1.00 H new TER 1143 DG B 12 ATOM 1144 O5' DC C 13 22.441 8.043 5.627 1.00 1.00 O ATOM 1145 C5' DC C 13 23.745 8.189 6.201 1.00 1.00 C ATOM 1146 C4' DC C 13 24.243 9.646 6.271 1.00 1.00 C ATOM 1147 O4' DC C 13 24.442 10.181 4.962 1.00 1.00 O ATOM 1148 C3' DC C 13 23.257 10.554 7.021 1.00 1.00 C ATOM 1149 O3' DC C 13 23.948 11.383 7.957 1.00 1.00 O ATOM 1150 C2' DC C 13 22.606 11.335 5.881 1.00 1.00 C ATOM 1151 C1' DC C 13 23.749 11.415 4.866 1.00 1.00 C ATOM 1152 N1 DC C 13 23.351 11.664 3.456 1.00 1.00 N ATOM 1153 C2 DC C 13 24.023 12.634 2.697 1.00 1.00 C ATOM 1154 O2 DC C 13 24.873 13.383 3.187 1.00 1.00 O ATOM 1155 N3 DC C 13 23.767 12.783 1.373 1.00 1.00 N ATOM 1156 C4 DC C 13 22.834 12.029 0.829 1.00 1.00 C ATOM 1157 N4 DC C 13 22.653 12.181 -0.453 1.00 1.00 N ATOM 1158 C5 DC C 13 22.100 11.045 1.552 1.00 1.00 C ATOM 1159 C6 DC C 13 22.394 10.893 2.864 1.00 1.00 C ATOM 0 H5' DC C 13 24.454 7.602 5.618 1.00 1.00 H new ATOM 0 H5'' DC C 13 23.736 7.771 7.208 1.00 1.00 H new ATOM 0 H4' DC C 13 25.188 9.623 6.813 1.00 1.00 H new ATOM 0 H3' DC C 13 22.522 10.028 7.630 1.00 1.00 H new ATOM 0 H2' DC C 13 21.735 10.819 5.477 1.00 1.00 H new ATOM 0 H2'' DC C 13 22.272 12.322 6.200 1.00 1.00 H new ATOM 0 HO5' DC C 13 22.194 7.095 5.614 1.00 1.00 H new ATOM 0 H1' DC C 13 24.355 12.285 5.117 1.00 1.00 H new ATOM 0 H41 DC C 13 21.946 11.628 -0.937 1.00 1.00 H new ATOM 0 H42 DC C 13 23.218 12.853 -0.972 1.00 1.00 H new ATOM 0 H5 DC C 13 21.340 10.445 1.073 1.00 1.00 H new ATOM 0 H6 DC C 13 21.866 10.154 3.448 1.00 1.00 H new ATOM 1172 P DG C 14 23.174 12.329 9.030 1.00 1.00 P ATOM 1173 OP1 DG C 14 23.934 12.265 10.312 1.00 1.00 O ATOM 1174 OP2 DG C 14 21.731 11.959 9.053 1.00 1.00 O ATOM 1175 O5' DG C 14 23.297 13.833 8.420 1.00 1.00 O ATOM 1176 C5' DG C 14 24.524 14.562 8.479 1.00 1.00 C ATOM 1177 C4' DG C 14 24.420 16.046 8.069 1.00 1.00 C ATOM 1178 O4' DG C 14 24.354 16.181 6.650 1.00 1.00 O ATOM 1179 C3' DG C 14 23.208 16.770 8.685 1.00 1.00 C ATOM 1180 O3' DG C 14 23.598 18.076 9.117 1.00 1.00 O ATOM 1181 C2' DG C 14 22.225 16.748 7.512 1.00 1.00 C ATOM 1182 C1' DG C 14 23.138 16.828 6.294 1.00 1.00 C ATOM 1183 N9 DG C 14 22.581 16.166 5.098 1.00 1.00 N ATOM 1184 C8 DG C 14 21.940 14.959 5.034 1.00 1.00 C ATOM 1185 N7 DG C 14 21.612 14.578 3.828 1.00 1.00 N ATOM 1186 C5 DG C 14 22.038 15.650 3.031 1.00 1.00 C ATOM 1187 C6 DG C 14 21.952 15.879 1.610 1.00 1.00 C ATOM 1188 O6 DG C 14 21.520 15.142 0.726 1.00 1.00 O ATOM 1189 N1 DG C 14 22.425 17.110 1.217 1.00 1.00 N ATOM 1190 C2 DG C 14 22.984 18.004 2.064 1.00 1.00 C ATOM 1191 N2 DG C 14 23.414 19.119 1.537 1.00 1.00 N ATOM 1192 N3 DG C 14 23.130 17.829 3.375 1.00 1.00 N ATOM 1193 C4 DG C 14 22.620 16.633 3.805 1.00 1.00 C ATOM 0 H5' DG C 14 25.252 14.072 7.832 1.00 1.00 H new ATOM 0 H5'' DG C 14 24.913 14.508 9.496 1.00 1.00 H new ATOM 0 H4' DG C 14 25.324 16.515 8.457 1.00 1.00 H new ATOM 0 H3' DG C 14 22.775 16.325 9.581 1.00 1.00 H new ATOM 0 H2' DG C 14 21.624 15.838 7.506 1.00 1.00 H new ATOM 0 H2'' DG C 14 21.531 17.588 7.552 1.00 1.00 H new ATOM 0 H1' DG C 14 23.271 17.877 6.032 1.00 1.00 H new ATOM 0 H8 DG C 14 21.722 14.368 5.911 1.00 1.00 H new ATOM 0 H1 DG C 14 22.350 17.362 0.232 1.00 1.00 H new ATOM 0 H21 DG C 14 23.845 19.830 2.128 1.00 1.00 H new ATOM 0 H22 DG C 14 23.319 19.279 0.534 1.00 1.00 H new ATOM 1205 P DC C 15 22.573 19.110 9.843 1.00 1.00 P ATOM 1206 OP1 DC C 15 23.391 20.108 10.590 1.00 1.00 O ATOM 1207 OP2 DC C 15 21.550 18.333 10.598 1.00 1.00 O ATOM 1208 O5' DC C 15 21.840 19.866 8.608 1.00 1.00 O ATOM 1209 C5' DC C 15 22.580 20.709 7.728 1.00 1.00 C ATOM 1210 C4' DC C 15 21.857 21.011 6.404 1.00 1.00 C ATOM 1211 O4' DC C 15 21.671 19.831 5.638 1.00 1.00 O ATOM 1212 C3' DC C 15 20.482 21.680 6.559 1.00 1.00 C ATOM 1213 O3' DC C 15 20.617 23.094 6.409 1.00 1.00 O ATOM 1214 C2' DC C 15 19.646 21.008 5.463 1.00 1.00 C ATOM 1215 C1' DC C 15 20.621 20.092 4.731 1.00 1.00 C ATOM 1216 N1 DC C 15 19.980 18.832 4.293 1.00 1.00 N ATOM 1217 C2 DC C 15 19.739 18.608 2.932 1.00 1.00 C ATOM 1218 O2 DC C 15 20.008 19.446 2.071 1.00 1.00 O ATOM 1219 N3 DC C 15 19.205 17.441 2.510 1.00 1.00 N ATOM 1220 C4 DC C 15 18.887 16.541 3.416 1.00 1.00 C ATOM 1221 N4 DC C 15 18.379 15.438 2.940 1.00 1.00 N ATOM 1222 C5 DC C 15 19.066 16.723 4.818 1.00 1.00 C ATOM 1223 C6 DC C 15 19.617 17.895 5.219 1.00 1.00 C ATOM 0 H5' DC C 15 23.538 20.238 7.509 1.00 1.00 H new ATOM 0 H5'' DC C 15 22.796 21.649 8.236 1.00 1.00 H new ATOM 0 H4' DC C 15 22.519 21.717 5.902 1.00 1.00 H new ATOM 0 H3' DC C 15 20.012 21.557 7.534 1.00 1.00 H new ATOM 0 H2' DC C 15 18.817 20.443 5.889 1.00 1.00 H new ATOM 0 H2'' DC C 15 19.214 21.746 4.787 1.00 1.00 H new ATOM 0 H1' DC C 15 20.983 20.571 3.821 1.00 1.00 H new ATOM 0 H41 DC C 15 18.105 14.688 3.574 1.00 1.00 H new ATOM 0 H42 DC C 15 18.256 15.326 1.934 1.00 1.00 H new ATOM 0 H5 DC C 15 18.776 15.963 5.528 1.00 1.00 H new ATOM 0 H6 DC C 15 19.769 18.088 6.271 1.00 1.00 H new ATOM 1235 P DA C 16 19.360 24.126 6.494 1.00 1.00 P ATOM 1236 OP1 DA C 16 19.914 25.491 6.724 1.00 1.00 O ATOM 1237 OP2 DA C 16 18.362 23.596 7.466 1.00 1.00 O ATOM 1238 O5' DA C 16 18.699 24.086 5.012 1.00 1.00 O ATOM 1239 C5' DA C 16 19.465 24.420 3.855 1.00 1.00 C ATOM 1240 C4' DA C 16 18.704 24.267 2.524 1.00 1.00 C ATOM 1241 O4' DA C 16 18.543 22.903 2.138 1.00 1.00 O ATOM 1242 C3' DA C 16 17.308 24.926 2.565 1.00 1.00 C ATOM 1243 O3' DA C 16 17.118 25.769 1.427 1.00 1.00 O ATOM 1244 C2' DA C 16 16.410 23.691 2.608 1.00 1.00 C ATOM 1245 C1' DA C 16 17.190 22.700 1.754 1.00 1.00 C ATOM 1246 N9 DA C 16 16.809 21.310 2.048 1.00 1.00 N ATOM 1247 C8 DA C 16 16.820 20.726 3.281 1.00 1.00 C ATOM 1248 N7 DA C 16 16.590 19.439 3.276 1.00 1.00 N ATOM 1249 C5 DA C 16 16.330 19.189 1.917 1.00 1.00 C ATOM 1250 C6 DA C 16 15.970 18.045 1.164 1.00 1.00 C ATOM 1251 N6 DA C 16 15.887 16.828 1.658 1.00 1.00 N ATOM 1252 N1 DA C 16 15.654 18.123 -0.130 1.00 1.00 N ATOM 1253 C2 DA C 16 15.724 19.314 -0.708 1.00 1.00 C ATOM 1254 N3 DA C 16 16.110 20.466 -0.160 1.00 1.00 N ATOM 1255 C4 DA C 16 16.402 20.334 1.169 1.00 1.00 C ATOM 0 H5' DA C 16 20.353 23.788 3.827 1.00 1.00 H new ATOM 0 H5'' DA C 16 19.809 25.450 3.947 1.00 1.00 H new ATOM 0 H4' DA C 16 19.325 24.778 1.788 1.00 1.00 H new ATOM 0 H3' DA C 16 17.116 25.602 3.398 1.00 1.00 H new ATOM 0 H2' DA C 16 16.266 23.327 3.625 1.00 1.00 H new ATOM 0 H2'' DA C 16 15.420 23.892 2.198 1.00 1.00 H new ATOM 0 H1' DA C 16 17.003 22.856 0.691 1.00 1.00 H new ATOM 0 H8 DA C 16 17.004 21.282 4.188 1.00 1.00 H new ATOM 0 H61 DA C 16 15.621 16.050 1.055 1.00 1.00 H new ATOM 0 H62 DA C 16 16.089 16.663 2.644 1.00 1.00 H new ATOM 0 H2 DA C 16 15.433 19.356 -1.747 1.00 1.00 H new ATOM 1267 P DT C 17 15.813 26.721 1.249 1.00 1.00 P ATOM 1268 OP1 DT C 17 16.182 27.823 0.315 1.00 1.00 O ATOM 1269 OP2 DT C 17 15.291 27.086 2.596 1.00 1.00 O ATOM 1270 O5' DT C 17 14.725 25.765 0.518 1.00 1.00 O ATOM 1271 C5' DT C 17 14.924 25.325 -0.825 1.00 1.00 C ATOM 1272 C4' DT C 17 13.871 24.316 -1.309 1.00 1.00 C ATOM 1273 O4' DT C 17 14.043 23.059 -0.660 1.00 1.00 O ATOM 1274 C3' DT C 17 12.414 24.774 -1.102 1.00 1.00 C ATOM 1275 O3' DT C 17 11.735 24.784 -2.356 1.00 1.00 O ATOM 1276 C2' DT C 17 11.892 23.741 -0.097 1.00 1.00 C ATOM 1277 C1' DT C 17 12.759 22.523 -0.413 1.00 1.00 C ATOM 1278 N1 DT C 17 12.830 21.506 0.671 1.00 1.00 N ATOM 1279 C2 DT C 17 12.679 20.155 0.319 1.00 1.00 C ATOM 1280 O2 DT C 17 12.442 19.741 -0.819 1.00 1.00 O ATOM 1281 N3 DT C 17 12.824 19.241 1.331 1.00 1.00 N ATOM 1282 C4 DT C 17 13.092 19.516 2.646 1.00 1.00 C ATOM 1283 O4 DT C 17 13.238 18.570 3.419 1.00 1.00 O ATOM 1284 C5 DT C 17 13.198 20.940 2.960 1.00 1.00 C ATOM 1285 C7 DT C 17 13.447 21.395 4.383 1.00 1.00 C ATOM 1286 C6 DT C 17 13.084 21.873 1.980 1.00 1.00 C ATOM 0 H5' DT C 17 15.912 24.872 -0.907 1.00 1.00 H new ATOM 0 H5'' DT C 17 14.915 26.191 -1.487 1.00 1.00 H new ATOM 0 H4' DT C 17 14.036 24.231 -2.383 1.00 1.00 H new ATOM 0 H3' DT C 17 12.279 25.788 -0.725 1.00 1.00 H new ATOM 0 H2' DT C 17 12.017 24.075 0.933 1.00 1.00 H new ATOM 0 H2'' DT C 17 10.831 23.534 -0.238 1.00 1.00 H new ATOM 0 H1' DT C 17 12.329 21.978 -1.254 1.00 1.00 H new ATOM 0 H3 DT C 17 12.722 18.258 1.079 1.00 1.00 H new ATOM 0 H71 DT C 17 14.002 22.333 4.373 1.00 1.00 H new ATOM 0 H72 DT C 17 12.493 21.543 4.890 1.00 1.00 H new ATOM 0 H73 DT C 17 14.025 20.637 4.912 1.00 1.00 H new ATOM 0 H6 DT C 17 13.193 22.919 2.227 1.00 1.00 H new ATOM 1299 P DA C 18 10.201 25.297 -2.518 1.00 1.00 P ATOM 1300 OP1 DA C 18 9.981 25.638 -3.954 1.00 1.00 O ATOM 1301 OP2 DA C 18 9.928 26.347 -1.493 1.00 1.00 O ATOM 1302 O5' DA C 18 9.331 23.980 -2.158 1.00 1.00 O ATOM 1303 C5' DA C 18 9.432 22.806 -2.955 1.00 1.00 C ATOM 1304 C4' DA C 18 8.551 21.649 -2.464 1.00 1.00 C ATOM 1305 O4' DA C 18 9.176 20.911 -1.427 1.00 1.00 O ATOM 1306 C3' DA C 18 7.154 22.058 -1.975 1.00 1.00 C ATOM 1307 O3' DA C 18 6.247 21.462 -2.896 1.00 1.00 O ATOM 1308 C2' DA C 18 7.136 21.534 -0.537 1.00 1.00 C ATOM 1309 C1' DA C 18 8.164 20.411 -0.574 1.00 1.00 C ATOM 1310 N9 DA C 18 8.793 20.045 0.712 1.00 1.00 N ATOM 1311 C8 DA C 18 9.169 20.857 1.749 1.00 1.00 C ATOM 1312 N7 DA C 18 9.694 20.229 2.773 1.00 1.00 N ATOM 1313 C5 DA C 18 9.646 18.885 2.369 1.00 1.00 C ATOM 1314 C6 DA C 18 9.982 17.636 2.958 1.00 1.00 C ATOM 1315 N6 DA C 18 10.457 17.447 4.177 1.00 1.00 N ATOM 1316 N1 DA C 18 9.841 16.498 2.286 1.00 1.00 N ATOM 1317 C2 DA C 18 9.388 16.559 1.046 1.00 1.00 C ATOM 1318 N3 DA C 18 8.996 17.630 0.372 1.00 1.00 N ATOM 1319 C4 DA C 18 9.140 18.775 1.099 1.00 1.00 C ATOM 0 H5' DA C 18 10.471 22.478 -2.972 1.00 1.00 H new ATOM 0 H5'' DA C 18 9.158 23.050 -3.981 1.00 1.00 H new ATOM 0 H4' DA C 18 8.423 21.038 -3.357 1.00 1.00 H new ATOM 0 H3' DA C 18 6.886 23.114 -1.948 1.00 1.00 H new ATOM 0 H2' DA C 18 7.409 22.309 0.179 1.00 1.00 H new ATOM 0 H2'' DA C 18 6.149 21.170 -0.252 1.00 1.00 H new ATOM 0 H1' DA C 18 7.659 19.498 -0.890 1.00 1.00 H new ATOM 0 H8 DA C 18 9.043 21.929 1.725 1.00 1.00 H new ATOM 0 H61 DA C 18 10.666 16.503 4.502 1.00 1.00 H new ATOM 0 H62 DA C 18 10.615 18.245 4.792 1.00 1.00 H new ATOM 0 H2 DA C 18 9.330 15.619 0.517 1.00 1.00 H new ATOM 1331 P DT C 19 4.665 21.560 -2.771 1.00 1.00 P ATOM 1332 OP1 DT C 19 4.104 21.233 -4.097 1.00 1.00 O ATOM 1333 OP2 DT C 19 4.255 22.804 -2.088 1.00 1.00 O ATOM 1334 O5' DT C 19 4.385 20.311 -1.871 1.00 1.00 O ATOM 1335 C5' DT C 19 4.640 18.992 -2.330 1.00 1.00 C ATOM 1336 C4' DT C 19 4.056 18.004 -1.325 1.00 1.00 C ATOM 1337 O4' DT C 19 5.025 17.822 -0.310 1.00 1.00 O ATOM 1338 C3' DT C 19 2.771 18.537 -0.642 1.00 1.00 C ATOM 1339 O3' DT C 19 1.781 17.554 -0.488 1.00 1.00 O ATOM 1340 C2' DT C 19 3.271 18.944 0.728 1.00 1.00 C ATOM 1341 C1' DT C 19 4.349 17.874 0.920 1.00 1.00 C ATOM 1342 N1 DT C 19 5.322 18.115 2.012 1.00 1.00 N ATOM 1343 C2 DT C 19 5.730 17.012 2.771 1.00 1.00 C ATOM 1344 O2 DT C 19 5.400 15.850 2.532 1.00 1.00 O ATOM 1345 N3 DT C 19 6.527 17.277 3.857 1.00 1.00 N ATOM 1346 C4 DT C 19 6.864 18.526 4.323 1.00 1.00 C ATOM 1347 O4 DT C 19 7.527 18.599 5.355 1.00 1.00 O ATOM 1348 C5 DT C 19 6.385 19.637 3.498 1.00 1.00 C ATOM 1349 C7 DT C 19 6.643 21.078 3.905 1.00 1.00 C ATOM 1350 C6 DT C 19 5.684 19.393 2.360 1.00 1.00 C ATOM 0 H5' DT C 19 5.712 18.831 -2.439 1.00 1.00 H new ATOM 0 H5'' DT C 19 4.193 18.841 -3.313 1.00 1.00 H new ATOM 0 H4' DT C 19 3.802 17.086 -1.856 1.00 1.00 H new ATOM 0 H3' DT C 19 2.307 19.330 -1.229 1.00 1.00 H new ATOM 0 H2' DT C 19 3.675 19.956 0.745 1.00 1.00 H new ATOM 0 H2'' DT C 19 2.493 18.899 1.490 1.00 1.00 H new ATOM 0 H1' DT C 19 3.861 16.946 1.218 1.00 1.00 H new ATOM 0 H3 DT C 19 6.903 16.475 4.364 1.00 1.00 H new ATOM 0 H71 DT C 19 6.717 21.700 3.013 1.00 1.00 H new ATOM 0 H72 DT C 19 5.822 21.433 4.528 1.00 1.00 H new ATOM 0 H73 DT C 19 7.576 21.136 4.466 1.00 1.00 H new ATOM 0 H6 DT C 19 5.407 20.217 1.719 1.00 1.00 H new ATOM 1363 P DA C 20 0.743 17.248 -1.675 1.00 1.00 P ATOM 1364 OP1 DA C 20 1.508 17.173 -2.945 1.00 1.00 O ATOM 1365 OP2 DA C 20 -0.373 18.226 -1.578 1.00 1.00 O ATOM 1366 O5' DA C 20 0.273 15.790 -1.214 1.00 1.00 O ATOM 1367 C5' DA C 20 -0.429 15.636 0.003 1.00 1.00 C ATOM 1368 C4' DA C 20 -0.135 14.279 0.642 1.00 1.00 C ATOM 1369 O4' DA C 20 1.155 14.322 1.263 1.00 1.00 O ATOM 1370 C3' DA C 20 -1.182 14.073 1.735 1.00 1.00 C ATOM 1371 O3' DA C 20 -1.613 12.724 1.805 1.00 1.00 O ATOM 1372 C2' DA C 20 -0.430 14.586 2.957 1.00 1.00 C ATOM 1373 C1' DA C 20 1.030 14.259 2.673 1.00 1.00 C ATOM 1374 N9 DA C 20 1.894 15.267 3.338 1.00 1.00 N ATOM 1375 C8 DA C 20 2.001 16.602 3.024 1.00 1.00 C ATOM 1376 N7 DA C 20 2.700 17.316 3.866 1.00 1.00 N ATOM 1377 C5 DA C 20 3.109 16.361 4.802 1.00 1.00 C ATOM 1378 C6 DA C 20 3.908 16.408 5.968 1.00 1.00 C ATOM 1379 N6 DA C 20 4.475 17.507 6.420 1.00 1.00 N ATOM 1380 N1 DA C 20 4.153 15.315 6.694 1.00 1.00 N ATOM 1381 C2 DA C 20 3.617 14.181 6.269 1.00 1.00 C ATOM 1382 N3 DA C 20 2.837 13.972 5.212 1.00 1.00 N ATOM 1383 C4 DA C 20 2.630 15.114 4.496 1.00 1.00 C ATOM 0 H5' DA C 20 -1.500 15.732 -0.177 1.00 1.00 H new ATOM 0 H5'' DA C 20 -0.149 16.433 0.691 1.00 1.00 H new ATOM 0 H4' DA C 20 -0.158 13.482 -0.102 1.00 1.00 H new ATOM 0 H3' DA C 20 -2.129 14.592 1.588 1.00 1.00 H new ATOM 0 H2' DA C 20 -0.577 15.657 3.093 1.00 1.00 H new ATOM 0 H2'' DA C 20 -0.776 14.099 3.869 1.00 1.00 H new ATOM 0 H1' DA C 20 1.331 13.281 3.049 1.00 1.00 H new ATOM 0 H8 DA C 20 1.541 17.029 2.145 1.00 1.00 H new ATOM 0 H61 DA C 20 5.041 17.477 7.268 1.00 1.00 H new ATOM 0 H62 DA C 20 4.348 18.388 5.922 1.00 1.00 H new ATOM 0 H2 DA C 20 3.844 13.307 6.861 1.00 1.00 H new ATOM 1395 P DT C 21 -2.928 12.312 2.646 1.00 1.00 P ATOM 1396 OP1 DT C 21 -3.432 11.018 2.123 1.00 1.00 O ATOM 1397 OP2 DT C 21 -3.848 13.481 2.626 1.00 1.00 O ATOM 1398 O5' DT C 21 -2.354 12.107 4.134 1.00 1.00 O ATOM 1399 C5' DT C 21 -1.439 11.051 4.402 1.00 1.00 C ATOM 1400 C4' DT C 21 -1.162 10.856 5.895 1.00 1.00 C ATOM 1401 O4' DT C 21 -0.275 11.859 6.368 1.00 1.00 O ATOM 1402 C3' DT C 21 -2.428 10.909 6.749 1.00 1.00 C ATOM 1403 O3' DT C 21 -2.328 9.880 7.717 1.00 1.00 O ATOM 1404 C2' DT C 21 -2.387 12.316 7.336 1.00 1.00 C ATOM 1405 C1' DT C 21 -0.883 12.562 7.433 1.00 1.00 C ATOM 1406 N1 DT C 21 -0.419 13.974 7.347 1.00 1.00 N ATOM 1407 C2 DT C 21 0.685 14.323 8.137 1.00 1.00 C ATOM 1408 O2 DT C 21 1.286 13.527 8.858 1.00 1.00 O ATOM 1409 N3 DT C 21 1.135 15.616 8.056 1.00 1.00 N ATOM 1410 C4 DT C 21 0.642 16.579 7.209 1.00 1.00 C ATOM 1411 O4 DT C 21 1.192 17.676 7.192 1.00 1.00 O ATOM 1412 C5 DT C 21 -0.485 16.153 6.378 1.00 1.00 C ATOM 1413 C7 DT C 21 -1.114 17.136 5.408 1.00 1.00 C ATOM 1414 C6 DT C 21 -0.971 14.886 6.461 1.00 1.00 C ATOM 0 H5' DT C 21 -0.499 11.254 3.888 1.00 1.00 H new ATOM 0 H5'' DT C 21 -1.834 10.123 3.988 1.00 1.00 H new ATOM 0 H4' DT C 21 -0.722 9.863 5.990 1.00 1.00 H new ATOM 0 H3' DT C 21 -3.372 10.745 6.230 1.00 1.00 H new ATOM 0 H2' DT C 21 -2.881 13.044 6.692 1.00 1.00 H new ATOM 0 H2'' DT C 21 -2.875 12.369 8.309 1.00 1.00 H new ATOM 0 H1' DT C 21 -0.605 12.230 8.433 1.00 1.00 H new ATOM 0 H3 DT C 21 1.899 15.885 8.676 1.00 1.00 H new ATOM 0 H71 DT C 21 -1.516 16.595 4.551 1.00 1.00 H new ATOM 0 H72 DT C 21 -1.919 17.675 5.907 1.00 1.00 H new ATOM 0 H73 DT C 21 -0.359 17.845 5.068 1.00 1.00 H new ATOM 0 H6 DT C 21 -1.795 14.587 5.830 1.00 1.00 H new ATOM 1427 P DG C 22 -3.544 9.463 8.664 1.00 1.00 P ATOM 1428 OP1 DG C 22 -3.311 8.043 9.025 1.00 1.00 O ATOM 1429 OP2 DG C 22 -4.838 9.824 8.037 1.00 1.00 O ATOM 1430 O5' DG C 22 -3.297 10.369 9.956 1.00 1.00 O ATOM 1431 C5' DG C 22 -2.221 10.082 10.834 1.00 1.00 C ATOM 1432 C4' DG C 22 -1.989 11.170 11.886 1.00 1.00 C ATOM 1433 O4' DG C 22 -1.357 12.302 11.295 1.00 1.00 O ATOM 1434 C3' DG C 22 -3.270 11.642 12.603 1.00 1.00 C ATOM 1435 O3' DG C 22 -3.096 11.462 14.007 1.00 1.00 O ATOM 1436 C2' DG C 22 -3.355 13.099 12.147 1.00 1.00 C ATOM 1437 C1' DG C 22 -1.882 13.434 11.952 1.00 1.00 C ATOM 1438 N9 DG C 22 -1.653 14.660 11.170 1.00 1.00 N ATOM 1439 C8 DG C 22 -2.241 15.027 9.993 1.00 1.00 C ATOM 1440 N7 DG C 22 -1.846 16.185 9.533 1.00 1.00 N ATOM 1441 C5 DG C 22 -0.941 16.634 10.510 1.00 1.00 C ATOM 1442 C6 DG C 22 -0.169 17.849 10.622 1.00 1.00 C ATOM 1443 O6 DG C 22 -0.067 18.787 9.829 1.00 1.00 O ATOM 1444 N1 DG C 22 0.539 17.941 11.800 1.00 1.00 N ATOM 1445 C2 DG C 22 0.556 16.973 12.743 1.00 1.00 C ATOM 1446 N2 DG C 22 1.266 17.211 13.809 1.00 1.00 N ATOM 1447 N3 DG C 22 -0.097 15.817 12.669 1.00 1.00 N ATOM 1448 C4 DG C 22 -0.842 15.709 11.527 1.00 1.00 C ATOM 0 H5' DG C 22 -1.310 9.951 10.250 1.00 1.00 H new ATOM 0 H5'' DG C 22 -2.415 9.135 11.338 1.00 1.00 H new ATOM 0 H4' DG C 22 -1.351 10.708 12.640 1.00 1.00 H new ATOM 0 H3' DG C 22 -4.192 11.107 12.376 1.00 1.00 H new ATOM 0 H2' DG C 22 -3.928 13.209 11.226 1.00 1.00 H new ATOM 0 H2'' DG C 22 -3.827 13.737 12.894 1.00 1.00 H new ATOM 0 H1' DG C 22 -1.399 13.643 12.907 1.00 1.00 H new ATOM 0 H8 DG C 22 -2.970 14.413 9.486 1.00 1.00 H new ATOM 0 H1 DG C 22 1.081 18.788 11.970 1.00 1.00 H new ATOM 0 H21 DG C 22 1.316 16.516 14.554 1.00 1.00 H new ATOM 0 H22 DG C 22 1.772 18.092 13.898 1.00 1.00 H new ATOM 1460 P DC C 23 -4.240 11.809 15.107 1.00 1.00 P ATOM 1461 OP1 DC C 23 -4.293 10.683 16.084 1.00 1.00 O ATOM 1462 OP2 DC C 23 -5.503 12.217 14.426 1.00 1.00 O ATOM 1463 O5' DC C 23 -3.614 13.114 15.844 1.00 1.00 O ATOM 1464 C5' DC C 23 -2.384 13.018 16.565 1.00 1.00 C ATOM 1465 C4' DC C 23 -1.959 14.314 17.280 1.00 1.00 C ATOM 1466 O4' DC C 23 -1.529 15.292 16.334 1.00 1.00 O ATOM 1467 C3' DC C 23 -3.079 14.907 18.153 1.00 1.00 C ATOM 1468 O3' DC C 23 -2.569 15.291 19.431 1.00 1.00 O ATOM 1469 C2' DC C 23 -3.563 16.069 17.283 1.00 1.00 C ATOM 1470 C1' DC C 23 -2.314 16.464 16.485 1.00 1.00 C ATOM 1471 N1 DC C 23 -2.609 17.043 15.151 1.00 1.00 N ATOM 1472 C2 DC C 23 -2.048 18.272 14.770 1.00 1.00 C ATOM 1473 O2 DC C 23 -1.330 18.933 15.522 1.00 1.00 O ATOM 1474 N3 DC C 23 -2.287 18.790 13.540 1.00 1.00 N ATOM 1475 C4 DC C 23 -3.067 18.111 12.724 1.00 1.00 C ATOM 1476 N4 DC C 23 -3.223 18.633 11.541 1.00 1.00 N ATOM 1477 C5 DC C 23 -3.668 16.862 13.048 1.00 1.00 C ATOM 1478 C6 DC C 23 -3.409 16.361 14.282 1.00 1.00 C ATOM 0 H5' DC C 23 -1.594 12.724 15.874 1.00 1.00 H new ATOM 0 H5'' DC C 23 -2.472 12.222 17.305 1.00 1.00 H new ATOM 0 H4' DC C 23 -1.133 14.045 17.938 1.00 1.00 H new ATOM 0 H3' DC C 23 -3.892 14.227 18.408 1.00 1.00 H new ATOM 0 H2' DC C 23 -4.379 15.766 16.627 1.00 1.00 H new ATOM 0 H2'' DC C 23 -3.931 16.897 17.888 1.00 1.00 H new ATOM 0 H1' DC C 23 -1.794 17.249 17.034 1.00 1.00 H new ATOM 0 H41 DC C 23 -3.813 18.167 10.852 1.00 1.00 H new ATOM 0 H42 DC C 23 -2.756 19.508 11.304 1.00 1.00 H new ATOM 0 H5 DC C 23 -4.300 16.338 12.346 1.00 1.00 H new ATOM 0 H6 DC C 23 -3.839 15.416 14.578 1.00 1.00 H new ATOM 1490 P DG C 24 -3.541 15.670 20.677 1.00 1.00 P ATOM 1491 OP1 DG C 24 -2.736 15.590 21.928 1.00 1.00 O ATOM 1492 OP2 DG C 24 -4.787 14.859 20.588 1.00 1.00 O ATOM 1493 O5' DG C 24 -3.927 17.223 20.416 1.00 1.00 O ATOM 1494 C5' DG C 24 -2.957 18.254 20.577 1.00 1.00 C ATOM 1495 C4' DG C 24 -3.359 19.579 19.910 1.00 1.00 C ATOM 1496 O4' DG C 24 -3.258 19.509 18.496 1.00 1.00 O ATOM 1497 C3' DG C 24 -4.788 20.068 20.209 1.00 1.00 C ATOM 1498 O3' DG C 24 -4.867 20.918 21.355 1.00 1.00 O ATOM 1499 C2' DG C 24 -5.157 20.847 18.947 1.00 1.00 C ATOM 1500 C1' DG C 24 -3.976 20.619 17.998 1.00 1.00 C ATOM 1501 N9 DG C 24 -4.408 20.393 16.607 1.00 1.00 N ATOM 1502 C8 DG C 24 -5.211 19.393 16.134 1.00 1.00 C ATOM 1503 N7 DG C 24 -5.511 19.498 14.863 1.00 1.00 N ATOM 1504 C5 DG C 24 -4.856 20.679 14.470 1.00 1.00 C ATOM 1505 C6 DG C 24 -4.802 21.384 13.212 1.00 1.00 C ATOM 1506 O6 DG C 24 -5.323 21.106 12.131 1.00 1.00 O ATOM 1507 N1 DG C 24 -4.059 22.546 13.262 1.00 1.00 N ATOM 1508 C2 DG C 24 -3.437 22.998 14.376 1.00 1.00 C ATOM 1509 N2 DG C 24 -2.778 24.119 14.281 1.00 1.00 N ATOM 1510 N3 DG C 24 -3.455 22.390 15.557 1.00 1.00 N ATOM 1511 C4 DG C 24 -4.177 21.229 15.540 1.00 1.00 C ATOM 0 H5' DG C 24 -2.008 17.918 20.159 1.00 1.00 H new ATOM 0 H5'' DG C 24 -2.794 18.426 21.641 1.00 1.00 H new ATOM 0 H4' DG C 24 -2.652 20.284 20.347 1.00 1.00 H new ATOM 0 H3' DG C 24 -5.455 19.237 20.439 1.00 1.00 H new ATOM 0 H2' DG C 24 -6.090 20.484 18.515 1.00 1.00 H new ATOM 0 H2'' DG C 24 -5.296 21.907 19.161 1.00 1.00 H new ATOM 0 HO3' DG C 24 -5.797 21.197 21.492 1.00 1.00 H new ATOM 0 H1' DG C 24 -3.349 21.510 17.966 1.00 1.00 H new ATOM 0 H8 DG C 24 -5.568 18.585 16.755 1.00 1.00 H new ATOM 0 H1 DG C 24 -3.973 23.097 12.408 1.00 1.00 H new ATOM 0 H21 DG C 24 -2.294 24.497 15.096 1.00 1.00 H new ATOM 0 H22 DG C 24 -2.746 24.618 13.392 1.00 1.00 H new TER 1524 DG C 24