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 K(o=0,f=-1.7) USER MOD Set 1.2: A 121 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 87 ASN : amide:sc= 2.04 K(o=2.3,f=-8.3!) USER MOD Set 2.2: A 90 THR OG1 : rot 167:sc= 0.254 USER MOD Single : A 81 LYS NZ :NH3+ 165:sc= 1.21 (180deg=0.724) USER MOD Single : A 83 LYS NZ :NH3+ 141:sc= 1.36 (180deg=-0.33!) USER MOD Single : A 85 TYR OH : rot 3:sc= 0.088 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= 0.188 USER MOD Single : A 97 LYS NZ :NH3+ 169:sc= 1.2 (180deg=1.04) USER MOD Single : A 100 ASN : amide:sc= 0.0889 K(o=0.089,f=-1.4) USER MOD Single : A 101 HIS : no HE2:sc= 0.779 K(o=0.78,f=-2.4!) USER MOD Single : A 102 LYS NZ :NH3+ 164:sc= 1.22 (180deg=1.15) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -152:sc= 1.15 (180deg=0.573) USER MOD Single : A 108 LYS NZ :NH3+ -144:sc= 2.32 (180deg=-0.535) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot 86:sc= 1.27 USER MOD Single : A 125 HIS : no HD1:sc= -0.0481 X(o=-0.048,f=-0.048) 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= -0.244 (180deg=-0.645) 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= -0.19 (180deg=-0.19) USER MOD Single : C 21 DT C7 :methyl -30:sc= -0.935 (180deg=-1.01) USER MOD Single : C 24 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 79 -0.916 6.949 9.528 1.00 1.00 N ATOM 2 CA ALA A 79 0.142 6.198 8.796 1.00 1.00 C ATOM 3 C ALA A 79 0.528 6.909 7.500 1.00 1.00 C ATOM 4 O ALA A 79 -0.261 7.671 6.953 1.00 1.00 O ATOM 5 CB ALA A 79 -0.353 4.766 8.515 1.00 1.00 C ATOM 0 HA ALA A 79 1.037 6.152 9.416 1.00 1.00 H new ATOM 0 HB1 ALA A 79 0.418 4.213 7.979 1.00 1.00 H new ATOM 0 HB2 ALA A 79 -0.570 4.265 9.458 1.00 1.00 H new ATOM 0 HB3 ALA A 79 -1.258 4.806 7.909 1.00 1.00 H new ATOM 11 N ARG A 80 1.730 6.642 6.975 1.00 1.00 N ATOM 12 CA ARG A 80 2.265 7.139 5.681 1.00 1.00 C ATOM 13 C ARG A 80 1.540 6.536 4.454 1.00 1.00 C ATOM 14 O ARG A 80 2.146 5.906 3.594 1.00 1.00 O ATOM 15 CB ARG A 80 3.800 6.941 5.659 1.00 1.00 C ATOM 16 CG ARG A 80 4.483 7.840 6.706 1.00 1.00 C ATOM 17 CD ARG A 80 4.606 9.301 6.254 1.00 1.00 C ATOM 18 NE ARG A 80 4.472 10.234 7.394 1.00 1.00 N ATOM 19 CZ ARG A 80 3.409 10.948 7.712 1.00 1.00 C ATOM 20 NH1 ARG A 80 2.354 10.987 6.953 1.00 1.00 N ATOM 21 NH2 ARG A 80 3.389 11.678 8.782 1.00 1.00 N ATOM 0 H ARG A 80 2.398 6.043 7.459 1.00 1.00 H new ATOM 0 HA ARG A 80 2.061 8.207 5.601 1.00 1.00 H new ATOM 0 HB2 ARG A 80 4.039 5.896 5.859 1.00 1.00 H new ATOM 0 HB3 ARG A 80 4.187 7.173 4.667 1.00 1.00 H new ATOM 0 HG2 ARG A 80 3.916 7.800 7.636 1.00 1.00 H new ATOM 0 HG3 ARG A 80 5.477 7.447 6.921 1.00 1.00 H new ATOM 0 HD2 ARG A 80 5.570 9.453 5.769 1.00 1.00 H new ATOM 0 HD3 ARG A 80 3.838 9.519 5.512 1.00 1.00 H new ATOM 0 HE ARG A 80 5.288 10.336 7.998 1.00 1.00 H new ATOM 0 HH11 ARG A 80 2.332 10.455 6.083 1.00 1.00 H new ATOM 0 HH12 ARG A 80 1.548 11.549 7.228 1.00 1.00 H new ATOM 0 HH21 ARG A 80 4.204 11.707 9.395 1.00 1.00 H new ATOM 0 HH22 ARG A 80 2.558 12.223 9.012 1.00 1.00 H new ATOM 35 N LYS A 81 0.215 6.709 4.406 1.00 1.00 N ATOM 36 CA LYS A 81 -0.720 6.293 3.357 1.00 1.00 C ATOM 37 C LYS A 81 -0.310 6.879 2.013 1.00 1.00 C ATOM 38 O LYS A 81 -0.086 8.079 1.853 1.00 1.00 O ATOM 39 CB LYS A 81 -2.133 6.785 3.726 1.00 1.00 C ATOM 40 CG LYS A 81 -2.778 6.006 4.886 1.00 1.00 C ATOM 41 CD LYS A 81 -3.828 6.851 5.625 1.00 1.00 C ATOM 42 CE LYS A 81 -4.598 5.978 6.631 1.00 1.00 C ATOM 43 NZ LYS A 81 -5.372 6.798 7.604 1.00 1.00 N ATOM 0 H LYS A 81 -0.272 7.185 5.166 1.00 1.00 H new ATOM 0 HA LYS A 81 -0.709 5.206 3.277 1.00 1.00 H new ATOM 0 HB2 LYS A 81 -2.082 7.840 3.993 1.00 1.00 H new ATOM 0 HB3 LYS A 81 -2.775 6.709 2.848 1.00 1.00 H new ATOM 0 HG2 LYS A 81 -3.246 5.100 4.500 1.00 1.00 H new ATOM 0 HG3 LYS A 81 -2.005 5.692 5.587 1.00 1.00 H new ATOM 0 HD2 LYS A 81 -3.341 7.676 6.146 1.00 1.00 H new ATOM 0 HD3 LYS A 81 -4.521 7.291 4.908 1.00 1.00 H new ATOM 0 HE2 LYS A 81 -5.277 5.318 6.092 1.00 1.00 H new ATOM 0 HE3 LYS A 81 -3.896 5.342 7.170 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -6.065 6.195 8.092 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 -4.722 7.214 8.301 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -5.870 7.558 7.098 1.00 1.00 H new ATOM 57 N VAL A 82 -0.238 5.980 1.046 1.00 1.00 N ATOM 58 CA VAL A 82 -0.010 6.287 -0.364 1.00 1.00 C ATOM 59 C VAL A 82 -1.252 6.920 -0.988 1.00 1.00 C ATOM 60 O VAL A 82 -2.364 6.401 -0.866 1.00 1.00 O ATOM 61 CB VAL A 82 0.335 5.009 -1.156 1.00 1.00 C ATOM 62 CG1 VAL A 82 0.478 5.275 -2.663 1.00 1.00 C ATOM 63 CG2 VAL A 82 1.614 4.371 -0.618 1.00 1.00 C ATOM 0 H VAL A 82 -0.340 4.981 1.223 1.00 1.00 H new ATOM 0 HA VAL A 82 0.825 6.986 -0.412 1.00 1.00 H new ATOM 0 HB VAL A 82 -0.499 4.320 -1.021 1.00 1.00 H new ATOM 0 HG11 VAL A 82 0.721 4.344 -3.175 1.00 1.00 H new ATOM 0 HG12 VAL A 82 -0.460 5.670 -3.053 1.00 1.00 H new ATOM 0 HG13 VAL A 82 1.275 6.000 -2.831 1.00 1.00 H new ATOM 0 HG21 VAL A 82 1.840 3.471 -1.190 1.00 1.00 H new ATOM 0 HG22 VAL A 82 2.439 5.077 -0.711 1.00 1.00 H new ATOM 0 HG23 VAL A 82 1.477 4.109 0.431 1.00 1.00 H new ATOM 73 N LYS A 83 -1.054 8.017 -1.711 1.00 1.00 N ATOM 74 CA LYS A 83 -2.041 8.623 -2.587 1.00 1.00 C ATOM 75 C LYS A 83 -1.608 8.317 -4.006 1.00 1.00 C ATOM 76 O LYS A 83 -0.474 8.602 -4.403 1.00 1.00 O ATOM 77 CB LYS A 83 -2.151 10.147 -2.412 1.00 1.00 C ATOM 78 CG LYS A 83 -3.325 10.542 -1.511 1.00 1.00 C ATOM 79 CD LYS A 83 -3.304 12.064 -1.322 1.00 1.00 C ATOM 80 CE LYS A 83 -4.589 12.588 -0.686 1.00 1.00 C ATOM 81 NZ LYS A 83 -4.368 13.917 -0.075 1.00 1.00 N ATOM 0 H LYS A 83 -0.169 8.524 -1.700 1.00 1.00 H new ATOM 0 HA LYS A 83 -3.023 8.215 -2.346 1.00 1.00 H new ATOM 0 HB2 LYS A 83 -1.224 10.530 -1.986 1.00 1.00 H new ATOM 0 HB3 LYS A 83 -2.271 10.616 -3.389 1.00 1.00 H new ATOM 0 HG2 LYS A 83 -4.268 10.229 -1.959 1.00 1.00 H new ATOM 0 HG3 LYS A 83 -3.248 10.040 -0.547 1.00 1.00 H new ATOM 0 HD2 LYS A 83 -2.454 12.338 -0.697 1.00 1.00 H new ATOM 0 HD3 LYS A 83 -3.157 12.546 -2.289 1.00 1.00 H new ATOM 0 HE2 LYS A 83 -5.373 12.655 -1.441 1.00 1.00 H new ATOM 0 HE3 LYS A 83 -4.937 11.887 0.073 1.00 1.00 H new ATOM 0 HZ1 LYS A 83 -5.199 14.519 -0.244 1.00 1.00 H new ATOM 0 HZ2 LYS A 83 -4.222 13.808 0.949 1.00 1.00 H new ATOM 0 HZ3 LYS A 83 -3.528 14.359 -0.500 1.00 1.00 H new ATOM 95 N GLN A 84 -2.481 7.665 -4.756 1.00 1.00 N ATOM 96 CA GLN A 84 -2.308 7.544 -6.185 1.00 1.00 C ATOM 97 C GLN A 84 -2.896 8.840 -6.731 1.00 1.00 C ATOM 98 O GLN A 84 -3.907 9.333 -6.228 1.00 1.00 O ATOM 99 CB GLN A 84 -2.991 6.281 -6.746 1.00 1.00 C ATOM 100 CG GLN A 84 -3.706 6.462 -8.092 1.00 1.00 C ATOM 101 CD GLN A 84 -4.326 5.155 -8.576 1.00 1.00 C ATOM 102 OE1 GLN A 84 -5.525 4.943 -8.481 1.00 1.00 O ATOM 103 NE2 GLN A 84 -3.546 4.225 -9.093 1.00 1.00 N ATOM 0 H GLN A 84 -3.319 7.211 -4.392 1.00 1.00 H new ATOM 0 HA GLN A 84 -1.266 7.418 -6.478 1.00 1.00 H new ATOM 0 HB2 GLN A 84 -2.239 5.500 -6.856 1.00 1.00 H new ATOM 0 HB3 GLN A 84 -3.716 5.925 -6.014 1.00 1.00 H new ATOM 0 HG2 GLN A 84 -4.483 7.220 -7.993 1.00 1.00 H new ATOM 0 HG3 GLN A 84 -2.997 6.827 -8.835 1.00 1.00 H new ATOM 0 HE21 GLN A 84 -2.543 4.390 -9.178 1.00 1.00 H new ATOM 0 HE22 GLN A 84 -3.946 3.341 -9.408 1.00 1.00 H new ATOM 112 N TYR A 85 -2.301 9.349 -7.792 1.00 1.00 N ATOM 113 CA TYR A 85 -2.793 10.508 -8.524 1.00 1.00 C ATOM 114 C TYR A 85 -2.869 10.128 -10.000 1.00 1.00 C ATOM 115 O TYR A 85 -1.984 9.436 -10.498 1.00 1.00 O ATOM 116 CB TYR A 85 -1.846 11.696 -8.295 1.00 1.00 C ATOM 117 CG TYR A 85 -1.616 12.106 -6.852 1.00 1.00 C ATOM 118 CD1 TYR A 85 -2.505 13.010 -6.247 1.00 1.00 C ATOM 119 CD2 TYR A 85 -0.489 11.643 -6.141 1.00 1.00 C ATOM 120 CE1 TYR A 85 -2.262 13.493 -4.949 1.00 1.00 C ATOM 121 CE2 TYR A 85 -0.242 12.118 -4.839 1.00 1.00 C ATOM 122 CZ TYR A 85 -1.116 13.062 -4.248 1.00 1.00 C ATOM 123 OH TYR A 85 -0.859 13.547 -3.003 1.00 1.00 O ATOM 0 H TYR A 85 -1.441 8.962 -8.181 1.00 1.00 H new ATOM 0 HA TYR A 85 -3.783 10.805 -8.179 1.00 1.00 H new ATOM 0 HB2 TYR A 85 -0.881 11.454 -8.740 1.00 1.00 H new ATOM 0 HB3 TYR A 85 -2.240 12.556 -8.836 1.00 1.00 H new ATOM 0 HD1 TYR A 85 -3.383 13.337 -6.784 1.00 1.00 H new ATOM 0 HD2 TYR A 85 0.181 10.927 -6.594 1.00 1.00 H new ATOM 0 HE1 TYR A 85 -2.949 14.190 -4.491 1.00 1.00 H new ATOM 0 HE2 TYR A 85 0.617 11.761 -4.289 1.00 1.00 H new ATOM 0 HH TYR A 85 -1.590 14.138 -2.725 1.00 1.00 H new ATOM 133 N LYS A 86 -3.908 10.577 -10.708 1.00 1.00 N ATOM 134 CA LYS A 86 -4.108 10.337 -12.148 1.00 1.00 C ATOM 135 C LYS A 86 -4.452 11.654 -12.836 1.00 1.00 C ATOM 136 O LYS A 86 -5.195 12.449 -12.277 1.00 1.00 O ATOM 137 CB LYS A 86 -5.205 9.271 -12.321 1.00 1.00 C ATOM 138 CG LYS A 86 -5.599 9.041 -13.788 1.00 1.00 C ATOM 139 CD LYS A 86 -6.444 7.769 -13.933 1.00 1.00 C ATOM 140 CE LYS A 86 -6.756 7.495 -15.410 1.00 1.00 C ATOM 141 NZ LYS A 86 -7.616 6.287 -15.575 1.00 1.00 N ATOM 0 H LYS A 86 -4.655 11.132 -10.290 1.00 1.00 H new ATOM 0 HA LYS A 86 -3.199 9.959 -12.617 1.00 1.00 H new ATOM 0 HB2 LYS A 86 -4.859 8.330 -11.893 1.00 1.00 H new ATOM 0 HB3 LYS A 86 -6.088 9.573 -11.757 1.00 1.00 H new ATOM 0 HG2 LYS A 86 -6.160 9.900 -14.157 1.00 1.00 H new ATOM 0 HG3 LYS A 86 -4.702 8.959 -14.401 1.00 1.00 H new ATOM 0 HD2 LYS A 86 -5.911 6.920 -13.505 1.00 1.00 H new ATOM 0 HD3 LYS A 86 -7.373 7.877 -13.373 1.00 1.00 H new ATOM 0 HE2 LYS A 86 -7.257 8.361 -15.843 1.00 1.00 H new ATOM 0 HE3 LYS A 86 -5.825 7.357 -15.960 1.00 1.00 H new ATOM 0 HZ1 LYS A 86 -7.807 6.132 -16.586 1.00 1.00 H new ATOM 0 HZ2 LYS A 86 -7.127 5.457 -15.184 1.00 1.00 H new ATOM 0 HZ3 LYS A 86 -8.515 6.429 -15.071 1.00 1.00 H new ATOM 155 N ASN A 87 -3.923 11.880 -14.034 1.00 1.00 N ATOM 156 CA ASN A 87 -4.077 13.145 -14.754 1.00 1.00 C ATOM 157 C ASN A 87 -5.061 13.028 -15.941 1.00 1.00 C ATOM 158 O ASN A 87 -4.708 12.423 -16.960 1.00 1.00 O ATOM 159 CB ASN A 87 -2.681 13.595 -15.182 1.00 1.00 C ATOM 160 CG ASN A 87 -2.656 14.979 -15.804 1.00 1.00 C ATOM 161 OD1 ASN A 87 -3.617 15.457 -16.388 1.00 1.00 O ATOM 162 ND2 ASN A 87 -1.565 15.681 -15.666 1.00 1.00 N ATOM 0 H ASN A 87 -3.371 11.187 -14.539 1.00 1.00 H new ATOM 0 HA ASN A 87 -4.524 13.898 -14.105 1.00 1.00 H new ATOM 0 HB2 ASN A 87 -2.022 13.583 -14.314 1.00 1.00 H new ATOM 0 HB3 ASN A 87 -2.279 12.877 -15.897 1.00 1.00 H new ATOM 0 HD21 ASN A 87 -1.516 16.627 -16.045 1.00 1.00 H new ATOM 0 HD22 ASN A 87 -0.761 15.284 -15.179 1.00 1.00 H new ATOM 169 N PRO A 88 -6.263 13.640 -15.862 1.00 1.00 N ATOM 170 CA PRO A 88 -7.244 13.673 -16.954 1.00 1.00 C ATOM 171 C PRO A 88 -6.720 14.177 -18.313 1.00 1.00 C ATOM 172 O PRO A 88 -7.262 13.799 -19.356 1.00 1.00 O ATOM 173 CB PRO A 88 -8.373 14.586 -16.457 1.00 1.00 C ATOM 174 CG PRO A 88 -8.299 14.474 -14.938 1.00 1.00 C ATOM 175 CD PRO A 88 -6.803 14.320 -14.691 1.00 1.00 C ATOM 0 HA PRO A 88 -7.554 12.650 -17.165 1.00 1.00 H new ATOM 0 HB2 PRO A 88 -8.229 15.614 -16.789 1.00 1.00 H new ATOM 0 HB3 PRO A 88 -9.343 14.262 -16.834 1.00 1.00 H new ATOM 0 HG2 PRO A 88 -8.703 15.359 -14.446 1.00 1.00 H new ATOM 0 HG3 PRO A 88 -8.862 13.618 -14.566 1.00 1.00 H new ATOM 0 HD2 PRO A 88 -6.330 15.292 -14.553 1.00 1.00 H new ATOM 0 HD3 PRO A 88 -6.616 13.743 -13.785 1.00 1.00 H new ATOM 183 N HIS A 89 -5.687 15.032 -18.318 1.00 1.00 N ATOM 184 CA HIS A 89 -5.163 15.703 -19.521 1.00 1.00 C ATOM 185 C HIS A 89 -4.078 14.902 -20.259 1.00 1.00 C ATOM 186 O HIS A 89 -3.829 15.169 -21.435 1.00 1.00 O ATOM 187 CB HIS A 89 -4.638 17.098 -19.129 1.00 1.00 C ATOM 188 CG HIS A 89 -5.654 17.935 -18.391 1.00 1.00 C ATOM 189 ND1 HIS A 89 -6.705 18.626 -18.963 1.00 1.00 N ATOM 190 CD2 HIS A 89 -5.719 18.122 -17.036 1.00 1.00 C ATOM 191 CE1 HIS A 89 -7.394 19.234 -17.978 1.00 1.00 C ATOM 192 NE2 HIS A 89 -6.813 18.940 -16.795 1.00 1.00 N ATOM 0 H HIS A 89 -5.180 15.283 -17.469 1.00 1.00 H new ATOM 0 HA HIS A 89 -5.989 15.788 -20.227 1.00 1.00 H new ATOM 0 HB2 HIS A 89 -3.752 16.982 -18.505 1.00 1.00 H new ATOM 0 HB3 HIS A 89 -4.327 17.627 -20.030 1.00 1.00 H new ATOM 0 HD2 HIS A 89 -5.047 17.711 -16.297 1.00 1.00 H new ATOM 0 HE1 HIS A 89 -8.268 19.855 -18.112 1.00 1.00 H new ATOM 0 HE2 HIS A 89 -7.125 19.264 -15.880 1.00 1.00 H new ATOM 201 N THR A 90 -3.442 13.930 -19.593 1.00 1.00 N ATOM 202 CA THR A 90 -2.272 13.190 -20.123 1.00 1.00 C ATOM 203 C THR A 90 -2.389 11.664 -20.033 1.00 1.00 C ATOM 204 O THR A 90 -1.698 10.958 -20.770 1.00 1.00 O ATOM 205 CB THR A 90 -0.987 13.607 -19.386 1.00 1.00 C ATOM 206 OG1 THR A 90 -1.056 13.182 -18.047 1.00 1.00 O ATOM 207 CG2 THR A 90 -0.775 15.117 -19.345 1.00 1.00 C ATOM 0 H THR A 90 -3.722 13.626 -18.660 1.00 1.00 H new ATOM 0 HA THR A 90 -2.236 13.456 -21.179 1.00 1.00 H new ATOM 0 HB THR A 90 -0.166 13.148 -19.937 1.00 1.00 H new ATOM 0 HG1 THR A 90 -0.169 13.250 -17.636 1.00 1.00 H new ATOM 0 HG21 THR A 90 0.149 15.340 -18.811 1.00 1.00 H new ATOM 0 HG22 THR A 90 -0.708 15.503 -20.362 1.00 1.00 H new ATOM 0 HG23 THR A 90 -1.614 15.588 -18.832 1.00 1.00 H new ATOM 215 N GLY A 91 -3.260 11.135 -19.163 1.00 1.00 N ATOM 216 CA GLY A 91 -3.365 9.696 -18.888 1.00 1.00 C ATOM 217 C GLY A 91 -2.200 9.127 -18.062 1.00 1.00 C ATOM 218 O GLY A 91 -2.070 7.910 -17.945 1.00 1.00 O ATOM 0 H GLY A 91 -3.918 11.700 -18.625 1.00 1.00 H new ATOM 0 HA2 GLY A 91 -4.298 9.506 -18.358 1.00 1.00 H new ATOM 0 HA3 GLY A 91 -3.421 9.159 -19.835 1.00 1.00 H new ATOM 222 N GLU A 92 -1.342 9.983 -17.494 1.00 1.00 N ATOM 223 CA GLU A 92 -0.314 9.624 -16.537 1.00 1.00 C ATOM 224 C GLU A 92 -0.961 9.328 -15.182 1.00 1.00 C ATOM 225 O GLU A 92 -1.950 9.942 -14.777 1.00 1.00 O ATOM 226 CB GLU A 92 0.660 10.794 -16.338 1.00 1.00 C ATOM 227 CG GLU A 92 1.532 11.143 -17.543 1.00 1.00 C ATOM 228 CD GLU A 92 2.378 12.406 -17.267 1.00 1.00 C ATOM 229 OE1 GLU A 92 1.813 13.448 -16.849 1.00 1.00 O ATOM 230 OE2 GLU A 92 3.615 12.361 -17.488 1.00 1.00 O ATOM 0 H GLU A 92 -1.354 10.981 -17.703 1.00 1.00 H new ATOM 0 HA GLU A 92 0.218 8.751 -16.916 1.00 1.00 H new ATOM 0 HB2 GLU A 92 0.085 11.678 -16.061 1.00 1.00 H new ATOM 0 HB3 GLU A 92 1.312 10.561 -15.496 1.00 1.00 H new ATOM 0 HG2 GLU A 92 2.189 10.305 -17.776 1.00 1.00 H new ATOM 0 HG3 GLU A 92 0.902 11.307 -18.417 1.00 1.00 H new ATOM 237 N VAL A 93 -0.326 8.427 -14.449 1.00 1.00 N ATOM 238 CA VAL A 93 -0.628 8.051 -13.068 1.00 1.00 C ATOM 239 C VAL A 93 0.677 8.020 -12.262 1.00 1.00 C ATOM 240 O VAL A 93 1.767 7.795 -12.795 1.00 1.00 O ATOM 241 CB VAL A 93 -1.320 6.678 -13.028 1.00 1.00 C ATOM 242 CG1 VAL A 93 -1.852 6.279 -11.634 1.00 1.00 C ATOM 243 CG2 VAL A 93 -2.504 6.614 -14.006 1.00 1.00 C ATOM 0 H VAL A 93 0.465 7.903 -14.822 1.00 1.00 H new ATOM 0 HA VAL A 93 -1.306 8.783 -12.630 1.00 1.00 H new ATOM 0 HB VAL A 93 -0.534 5.978 -13.312 1.00 1.00 H new ATOM 0 HG11 VAL A 93 -2.325 5.299 -11.692 1.00 1.00 H new ATOM 0 HG12 VAL A 93 -1.024 6.241 -10.926 1.00 1.00 H new ATOM 0 HG13 VAL A 93 -2.582 7.015 -11.299 1.00 1.00 H new ATOM 0 HG21 VAL A 93 -2.969 5.630 -13.951 1.00 1.00 H new ATOM 0 HG22 VAL A 93 -3.236 7.377 -13.741 1.00 1.00 H new ATOM 0 HG23 VAL A 93 -2.148 6.790 -15.021 1.00 1.00 H new ATOM 253 N ILE A 94 0.544 8.225 -10.959 1.00 1.00 N ATOM 254 CA ILE A 94 1.599 8.223 -9.946 1.00 1.00 C ATOM 255 C ILE A 94 1.054 7.622 -8.648 1.00 1.00 C ATOM 256 O ILE A 94 -0.155 7.509 -8.462 1.00 1.00 O ATOM 257 CB ILE A 94 2.141 9.644 -9.620 1.00 1.00 C ATOM 258 CG1 ILE A 94 1.548 10.804 -10.447 1.00 1.00 C ATOM 259 CG2 ILE A 94 3.676 9.663 -9.692 1.00 1.00 C ATOM 260 CD1 ILE A 94 1.947 12.171 -9.890 1.00 1.00 C ATOM 0 H ILE A 94 -0.371 8.411 -10.548 1.00 1.00 H new ATOM 0 HA ILE A 94 2.420 7.635 -10.357 1.00 1.00 H new ATOM 0 HB ILE A 94 1.799 9.836 -8.603 1.00 1.00 H new ATOM 0 HG12 ILE A 94 1.886 10.722 -11.480 1.00 1.00 H new ATOM 0 HG13 ILE A 94 0.461 10.721 -10.459 1.00 1.00 H new ATOM 0 HG21 ILE A 94 4.039 10.665 -9.461 1.00 1.00 H new ATOM 0 HG22 ILE A 94 4.083 8.955 -8.970 1.00 1.00 H new ATOM 0 HG23 ILE A 94 3.997 9.383 -10.696 1.00 1.00 H new ATOM 0 HD11 ILE A 94 1.507 12.957 -10.504 1.00 1.00 H new ATOM 0 HD12 ILE A 94 1.586 12.266 -8.866 1.00 1.00 H new ATOM 0 HD13 ILE A 94 3.033 12.266 -9.903 1.00 1.00 H new ATOM 272 N GLU A 95 1.962 7.343 -7.721 1.00 1.00 N ATOM 273 CA GLU A 95 1.734 6.889 -6.350 1.00 1.00 C ATOM 274 C GLU A 95 2.843 7.438 -5.444 1.00 1.00 C ATOM 275 O GLU A 95 4.027 7.181 -5.677 1.00 1.00 O ATOM 276 CB GLU A 95 1.791 5.359 -6.301 1.00 1.00 C ATOM 277 CG GLU A 95 0.477 4.707 -6.724 1.00 1.00 C ATOM 278 CD GLU A 95 0.610 3.174 -6.814 1.00 1.00 C ATOM 279 OE1 GLU A 95 0.924 2.519 -5.790 1.00 1.00 O ATOM 280 OE2 GLU A 95 0.399 2.611 -7.918 1.00 1.00 O ATOM 0 H GLU A 95 2.958 7.435 -7.922 1.00 1.00 H new ATOM 0 HA GLU A 95 0.758 7.241 -6.015 1.00 1.00 H new ATOM 0 HB2 GLU A 95 2.592 5.008 -6.952 1.00 1.00 H new ATOM 0 HB3 GLU A 95 2.040 5.041 -5.289 1.00 1.00 H new ATOM 0 HG2 GLU A 95 -0.305 4.964 -6.009 1.00 1.00 H new ATOM 0 HG3 GLU A 95 0.168 5.104 -7.691 1.00 1.00 H new ATOM 287 N THR A 96 2.468 8.210 -4.424 1.00 1.00 N ATOM 288 CA THR A 96 3.407 8.845 -3.478 1.00 1.00 C ATOM 289 C THR A 96 2.777 8.915 -2.083 1.00 1.00 C ATOM 290 O THR A 96 1.551 8.916 -1.954 1.00 1.00 O ATOM 291 CB THR A 96 3.879 10.250 -3.948 1.00 1.00 C ATOM 292 OG1 THR A 96 3.222 11.284 -3.242 1.00 1.00 O ATOM 293 CG2 THR A 96 3.662 10.563 -5.439 1.00 1.00 C ATOM 0 H THR A 96 1.490 8.420 -4.222 1.00 1.00 H new ATOM 0 HA THR A 96 4.300 8.221 -3.439 1.00 1.00 H new ATOM 0 HB THR A 96 4.950 10.213 -3.751 1.00 1.00 H new ATOM 0 HG1 THR A 96 3.543 12.153 -3.561 1.00 1.00 H new ATOM 0 HG21 THR A 96 4.027 11.567 -5.657 1.00 1.00 H new ATOM 0 HG22 THR A 96 4.207 9.839 -6.046 1.00 1.00 H new ATOM 0 HG23 THR A 96 2.599 10.505 -5.672 1.00 1.00 H new ATOM 301 N LYS A 97 3.578 8.973 -1.017 1.00 1.00 N ATOM 302 CA LYS A 97 3.092 9.120 0.375 1.00 1.00 C ATOM 303 C LYS A 97 3.110 10.591 0.842 1.00 1.00 C ATOM 304 O LYS A 97 2.963 10.868 2.035 1.00 1.00 O ATOM 305 CB LYS A 97 3.936 8.229 1.298 1.00 1.00 C ATOM 306 CG LYS A 97 4.000 6.750 0.867 1.00 1.00 C ATOM 307 CD LYS A 97 5.081 5.966 1.629 1.00 1.00 C ATOM 308 CE LYS A 97 5.434 4.624 0.967 1.00 1.00 C ATOM 309 NZ LYS A 97 6.187 4.805 -0.312 1.00 1.00 N ATOM 0 H LYS A 97 4.594 8.920 -1.086 1.00 1.00 H new ATOM 0 HA LYS A 97 2.051 8.800 0.417 1.00 1.00 H new ATOM 0 HB2 LYS A 97 4.950 8.627 1.340 1.00 1.00 H new ATOM 0 HB3 LYS A 97 3.529 8.284 2.308 1.00 1.00 H new ATOM 0 HG2 LYS A 97 3.030 6.283 1.035 1.00 1.00 H new ATOM 0 HG3 LYS A 97 4.200 6.694 -0.203 1.00 1.00 H new ATOM 0 HD2 LYS A 97 5.981 6.577 1.701 1.00 1.00 H new ATOM 0 HD3 LYS A 97 4.738 5.783 2.647 1.00 1.00 H new ATOM 0 HE2 LYS A 97 6.031 4.027 1.656 1.00 1.00 H new ATOM 0 HE3 LYS A 97 4.519 4.065 0.772 1.00 1.00 H new ATOM 0 HZ1 LYS A 97 6.564 3.888 -0.626 1.00 1.00 H new ATOM 0 HZ2 LYS A 97 5.549 5.184 -1.040 1.00 1.00 H new ATOM 0 HZ3 LYS A 97 6.973 5.469 -0.161 1.00 1.00 H new ATOM 323 N GLY A 98 3.333 11.517 -0.094 1.00 1.00 N ATOM 324 CA GLY A 98 3.569 12.944 0.116 1.00 1.00 C ATOM 325 C GLY A 98 4.878 13.435 -0.520 1.00 1.00 C ATOM 326 O GLY A 98 5.522 12.731 -1.307 1.00 1.00 O ATOM 0 H GLY A 98 3.354 11.271 -1.084 1.00 1.00 H new ATOM 0 HA2 GLY A 98 2.735 13.510 -0.299 1.00 1.00 H new ATOM 0 HA3 GLY A 98 3.592 13.149 1.186 1.00 1.00 H new ATOM 330 N GLY A 99 5.274 14.653 -0.150 1.00 1.00 N ATOM 331 CA GLY A 99 6.577 15.242 -0.456 1.00 1.00 C ATOM 332 C GLY A 99 6.788 15.763 -1.884 1.00 1.00 C ATOM 333 O GLY A 99 6.004 15.540 -2.812 1.00 1.00 O ATOM 0 H GLY A 99 4.675 15.278 0.390 1.00 1.00 H new ATOM 0 HA2 GLY A 99 6.746 16.068 0.234 1.00 1.00 H new ATOM 0 HA3 GLY A 99 7.343 14.494 -0.252 1.00 1.00 H new ATOM 337 N ASN A 100 7.908 16.471 -2.048 1.00 1.00 N ATOM 338 CA ASN A 100 8.501 16.916 -3.306 1.00 1.00 C ATOM 339 C ASN A 100 8.763 15.685 -4.210 1.00 1.00 C ATOM 340 O ASN A 100 9.692 14.912 -3.974 1.00 1.00 O ATOM 341 CB ASN A 100 9.767 17.716 -2.917 1.00 1.00 C ATOM 342 CG ASN A 100 10.818 17.936 -3.994 1.00 1.00 C ATOM 343 OD1 ASN A 100 10.607 17.754 -5.186 1.00 1.00 O ATOM 344 ND2 ASN A 100 11.991 18.362 -3.574 1.00 1.00 N ATOM 0 H ASN A 100 8.462 16.769 -1.245 1.00 1.00 H new ATOM 0 HA ASN A 100 7.853 17.565 -3.896 1.00 1.00 H new ATOM 0 HB2 ASN A 100 9.449 18.693 -2.553 1.00 1.00 H new ATOM 0 HB3 ASN A 100 10.244 17.205 -2.081 1.00 1.00 H new ATOM 0 HD21 ASN A 100 12.737 18.545 -4.245 1.00 1.00 H new ATOM 0 HD22 ASN A 100 12.153 18.509 -2.578 1.00 1.00 H new ATOM 351 N HIS A 101 7.900 15.480 -5.220 1.00 1.00 N ATOM 352 CA HIS A 101 8.009 14.414 -6.231 1.00 1.00 C ATOM 353 C HIS A 101 7.853 15.002 -7.643 1.00 1.00 C ATOM 354 O HIS A 101 6.932 15.786 -7.878 1.00 1.00 O ATOM 355 CB HIS A 101 7.006 13.292 -5.888 1.00 1.00 C ATOM 356 CG HIS A 101 7.240 12.017 -6.664 1.00 1.00 C ATOM 357 ND1 HIS A 101 8.214 11.063 -6.411 1.00 1.00 N ATOM 358 CD2 HIS A 101 6.520 11.592 -7.748 1.00 1.00 C ATOM 359 CE1 HIS A 101 8.087 10.084 -7.327 1.00 1.00 C ATOM 360 NE2 HIS A 101 7.066 10.383 -8.153 1.00 1.00 N ATOM 0 H HIS A 101 7.081 16.071 -5.360 1.00 1.00 H new ATOM 0 HA HIS A 101 8.999 13.959 -6.219 1.00 1.00 H new ATOM 0 HB2 HIS A 101 7.066 13.075 -4.821 1.00 1.00 H new ATOM 0 HB3 HIS A 101 5.994 13.647 -6.084 1.00 1.00 H new ATOM 0 HD1 HIS A 101 8.906 11.097 -5.662 1.00 1.00 H new ATOM 0 HD2 HIS A 101 5.684 12.102 -8.203 1.00 1.00 H new ATOM 0 HE1 HIS A 101 8.705 9.200 -7.389 1.00 1.00 H new ATOM 369 N LYS A 102 8.713 14.606 -8.592 1.00 1.00 N ATOM 370 CA LYS A 102 8.857 15.242 -9.925 1.00 1.00 C ATOM 371 C LYS A 102 7.561 15.407 -10.734 1.00 1.00 C ATOM 372 O LYS A 102 7.096 16.531 -10.884 1.00 1.00 O ATOM 373 CB LYS A 102 9.987 14.536 -10.694 1.00 1.00 C ATOM 374 CG LYS A 102 10.464 15.397 -11.868 1.00 1.00 C ATOM 375 CD LYS A 102 11.816 14.899 -12.401 1.00 1.00 C ATOM 376 CE LYS A 102 12.561 16.103 -12.979 1.00 1.00 C ATOM 377 NZ LYS A 102 13.988 15.786 -13.248 1.00 1.00 N ATOM 0 H LYS A 102 9.346 13.817 -8.459 1.00 1.00 H new ATOM 0 HA LYS A 102 9.132 16.283 -9.754 1.00 1.00 H new ATOM 0 HB2 LYS A 102 10.821 14.335 -10.021 1.00 1.00 H new ATOM 0 HB3 LYS A 102 9.636 13.572 -11.063 1.00 1.00 H new ATOM 0 HG2 LYS A 102 9.723 15.372 -12.667 1.00 1.00 H new ATOM 0 HG3 LYS A 102 10.555 16.435 -11.549 1.00 1.00 H new ATOM 0 HD2 LYS A 102 12.396 14.438 -11.601 1.00 1.00 H new ATOM 0 HD3 LYS A 102 11.668 14.137 -13.167 1.00 1.00 H new ATOM 0 HE2 LYS A 102 12.078 16.421 -13.903 1.00 1.00 H new ATOM 0 HE3 LYS A 102 12.498 16.939 -12.282 1.00 1.00 H new ATOM 0 HZ1 LYS A 102 14.392 16.510 -13.876 1.00 1.00 H new ATOM 0 HZ2 LYS A 102 14.515 15.772 -12.352 1.00 1.00 H new ATOM 0 HZ3 LYS A 102 14.057 14.854 -13.704 1.00 1.00 H new ATOM 391 N THR A 103 6.923 14.320 -11.181 1.00 1.00 N ATOM 392 CA THR A 103 5.699 14.402 -12.018 1.00 1.00 C ATOM 393 C THR A 103 4.562 15.130 -11.299 1.00 1.00 C ATOM 394 O THR A 103 3.896 15.985 -11.880 1.00 1.00 O ATOM 395 CB THR A 103 5.226 13.008 -12.465 1.00 1.00 C ATOM 396 OG1 THR A 103 6.297 12.331 -13.094 1.00 1.00 O ATOM 397 CG2 THR A 103 4.054 13.114 -13.440 1.00 1.00 C ATOM 0 H THR A 103 7.227 13.367 -10.982 1.00 1.00 H new ATOM 0 HA THR A 103 5.969 14.980 -12.902 1.00 1.00 H new ATOM 0 HB THR A 103 4.895 12.456 -11.585 1.00 1.00 H new ATOM 0 HG1 THR A 103 6.000 11.442 -13.379 1.00 1.00 H new ATOM 0 HG21 THR A 103 3.739 12.115 -13.740 1.00 1.00 H new ATOM 0 HG22 THR A 103 3.223 13.626 -12.955 1.00 1.00 H new ATOM 0 HG23 THR A 103 4.363 13.677 -14.321 1.00 1.00 H new ATOM 405 N LEU A 104 4.402 14.852 -10.000 1.00 1.00 N ATOM 406 CA LEU A 104 3.416 15.504 -9.131 1.00 1.00 C ATOM 407 C LEU A 104 3.602 17.035 -9.103 1.00 1.00 C ATOM 408 O LEU A 104 2.624 17.775 -9.166 1.00 1.00 O ATOM 409 CB LEU A 104 3.521 14.854 -7.732 1.00 1.00 C ATOM 410 CG LEU A 104 2.470 15.302 -6.697 1.00 1.00 C ATOM 411 CD1 LEU A 104 1.054 14.945 -7.140 1.00 1.00 C ATOM 412 CD2 LEU A 104 2.733 14.607 -5.364 1.00 1.00 C ATOM 0 H LEU A 104 4.965 14.154 -9.514 1.00 1.00 H new ATOM 0 HA LEU A 104 2.408 15.354 -9.518 1.00 1.00 H new ATOM 0 HB2 LEU A 104 3.448 13.773 -7.849 1.00 1.00 H new ATOM 0 HB3 LEU A 104 4.512 15.065 -7.329 1.00 1.00 H new ATOM 0 HG LEU A 104 2.552 16.385 -6.600 1.00 1.00 H new ATOM 0 HD11 LEU A 104 0.342 15.277 -6.384 1.00 1.00 H new ATOM 0 HD12 LEU A 104 0.834 15.437 -8.087 1.00 1.00 H new ATOM 0 HD13 LEU A 104 0.973 13.865 -7.265 1.00 1.00 H new ATOM 0 HD21 LEU A 104 1.989 14.926 -4.634 1.00 1.00 H new ATOM 0 HD22 LEU A 104 2.671 13.527 -5.498 1.00 1.00 H new ATOM 0 HD23 LEU A 104 3.728 14.871 -5.006 1.00 1.00 H new ATOM 424 N LYS A 105 4.852 17.522 -9.091 1.00 1.00 N ATOM 425 CA LYS A 105 5.173 18.957 -9.156 1.00 1.00 C ATOM 426 C LYS A 105 4.837 19.571 -10.516 1.00 1.00 C ATOM 427 O LYS A 105 4.354 20.700 -10.559 1.00 1.00 O ATOM 428 CB LYS A 105 6.652 19.174 -8.766 1.00 1.00 C ATOM 429 CG LYS A 105 7.145 20.632 -8.843 1.00 1.00 C ATOM 430 CD LYS A 105 6.422 21.627 -7.917 1.00 1.00 C ATOM 431 CE LYS A 105 6.806 21.430 -6.443 1.00 1.00 C ATOM 432 NZ LYS A 105 6.125 22.421 -5.561 1.00 1.00 N ATOM 0 H LYS A 105 5.677 16.925 -9.035 1.00 1.00 H new ATOM 0 HA LYS A 105 4.543 19.482 -8.438 1.00 1.00 H new ATOM 0 HB2 LYS A 105 6.800 18.811 -7.749 1.00 1.00 H new ATOM 0 HB3 LYS A 105 7.276 18.562 -9.417 1.00 1.00 H new ATOM 0 HG2 LYS A 105 8.209 20.650 -8.607 1.00 1.00 H new ATOM 0 HG3 LYS A 105 7.041 20.978 -9.871 1.00 1.00 H new ATOM 0 HD2 LYS A 105 6.664 22.645 -8.221 1.00 1.00 H new ATOM 0 HD3 LYS A 105 5.344 21.508 -8.029 1.00 1.00 H new ATOM 0 HE2 LYS A 105 6.541 20.420 -6.129 1.00 1.00 H new ATOM 0 HE3 LYS A 105 7.886 21.525 -6.332 1.00 1.00 H new ATOM 0 HZ1 LYS A 105 6.709 22.595 -4.718 1.00 1.00 H new ATOM 0 HZ2 LYS A 105 5.991 23.313 -6.079 1.00 1.00 H new ATOM 0 HZ3 LYS A 105 5.199 22.048 -5.270 1.00 1.00 H new ATOM 446 N GLU A 106 5.010 18.845 -11.619 1.00 1.00 N ATOM 447 CA GLU A 106 4.678 19.376 -12.945 1.00 1.00 C ATOM 448 C GLU A 106 3.179 19.582 -13.085 1.00 1.00 C ATOM 449 O GLU A 106 2.723 20.607 -13.574 1.00 1.00 O ATOM 450 CB GLU A 106 5.122 18.448 -14.078 1.00 1.00 C ATOM 451 CG GLU A 106 6.548 17.956 -13.913 1.00 1.00 C ATOM 452 CD GLU A 106 7.092 17.349 -15.221 1.00 1.00 C ATOM 453 OE1 GLU A 106 7.619 18.108 -16.073 1.00 1.00 O ATOM 454 OE2 GLU A 106 7.005 16.112 -15.406 1.00 1.00 O ATOM 0 H GLU A 106 5.376 17.893 -11.624 1.00 1.00 H new ATOM 0 HA GLU A 106 5.212 20.323 -13.027 1.00 1.00 H new ATOM 0 HB2 GLU A 106 4.450 17.591 -14.123 1.00 1.00 H new ATOM 0 HB3 GLU A 106 5.032 18.974 -15.028 1.00 1.00 H new ATOM 0 HG2 GLU A 106 7.186 18.784 -13.602 1.00 1.00 H new ATOM 0 HG3 GLU A 106 6.587 17.209 -13.120 1.00 1.00 H new ATOM 461 N TRP A 107 2.405 18.627 -12.579 1.00 1.00 N ATOM 462 CA TRP A 107 0.944 18.743 -12.564 1.00 1.00 C ATOM 463 C TRP A 107 0.453 19.941 -11.734 1.00 1.00 C ATOM 464 O TRP A 107 -0.483 20.634 -12.141 1.00 1.00 O ATOM 465 CB TRP A 107 0.308 17.447 -12.063 1.00 1.00 C ATOM 466 CG TRP A 107 0.525 16.180 -12.828 1.00 1.00 C ATOM 467 CD1 TRP A 107 1.322 15.975 -13.909 1.00 1.00 C ATOM 468 CD2 TRP A 107 -0.081 14.886 -12.542 1.00 1.00 C ATOM 469 NE1 TRP A 107 1.259 14.648 -14.286 1.00 1.00 N ATOM 470 CE2 TRP A 107 0.490 13.919 -13.414 1.00 1.00 C ATOM 471 CE3 TRP A 107 -1.056 14.431 -11.630 1.00 1.00 C ATOM 472 CZ2 TRP A 107 0.197 12.557 -13.316 1.00 1.00 C ATOM 473 CZ3 TRP A 107 -1.435 13.076 -11.599 1.00 1.00 C ATOM 474 CH2 TRP A 107 -0.790 12.134 -12.417 1.00 1.00 C ATOM 0 H TRP A 107 2.762 17.762 -12.173 1.00 1.00 H new ATOM 0 HA TRP A 107 0.630 18.921 -13.593 1.00 1.00 H new ATOM 0 HB2 TRP A 107 0.663 17.280 -11.046 1.00 1.00 H new ATOM 0 HB3 TRP A 107 -0.768 17.612 -12.002 1.00 1.00 H new ATOM 0 HD1 TRP A 107 1.914 16.734 -14.399 1.00 1.00 H new ATOM 0 HE1 TRP A 107 1.724 14.260 -15.107 1.00 1.00 H new ATOM 0 HE3 TRP A 107 -1.517 15.130 -10.948 1.00 1.00 H new ATOM 0 HZ2 TRP A 107 0.725 11.839 -13.926 1.00 1.00 H new ATOM 0 HZ3 TRP A 107 -2.229 12.758 -10.940 1.00 1.00 H new ATOM 0 HH2 TRP A 107 -1.054 11.089 -12.353 1.00 1.00 H new ATOM 485 N LYS A 108 1.111 20.247 -10.608 1.00 1.00 N ATOM 486 CA LYS A 108 0.826 21.465 -9.823 1.00 1.00 C ATOM 487 C LYS A 108 1.168 22.742 -10.596 1.00 1.00 C ATOM 488 O LYS A 108 0.444 23.726 -10.477 1.00 1.00 O ATOM 489 CB LYS A 108 1.610 21.471 -8.506 1.00 1.00 C ATOM 490 CG LYS A 108 1.085 20.418 -7.534 1.00 1.00 C ATOM 491 CD LYS A 108 1.756 20.615 -6.178 1.00 1.00 C ATOM 492 CE LYS A 108 1.291 19.515 -5.229 1.00 1.00 C ATOM 493 NZ LYS A 108 1.741 19.799 -3.846 1.00 1.00 N ATOM 0 H LYS A 108 1.851 19.665 -10.214 1.00 1.00 H new ATOM 0 HA LYS A 108 -0.245 21.450 -9.619 1.00 1.00 H new ATOM 0 HB2 LYS A 108 2.665 21.286 -8.709 1.00 1.00 H new ATOM 0 HB3 LYS A 108 1.542 22.457 -8.046 1.00 1.00 H new ATOM 0 HG2 LYS A 108 0.003 20.504 -7.435 1.00 1.00 H new ATOM 0 HG3 LYS A 108 1.292 19.418 -7.915 1.00 1.00 H new ATOM 0 HD2 LYS A 108 2.840 20.585 -6.287 1.00 1.00 H new ATOM 0 HD3 LYS A 108 1.503 21.594 -5.772 1.00 1.00 H new ATOM 0 HE2 LYS A 108 0.204 19.439 -5.256 1.00 1.00 H new ATOM 0 HE3 LYS A 108 1.686 18.553 -5.556 1.00 1.00 H new ATOM 0 HZ1 LYS A 108 1.986 18.907 -3.371 1.00 1.00 H new ATOM 0 HZ2 LYS A 108 2.577 20.418 -3.873 1.00 1.00 H new ATOM 0 HZ3 LYS A 108 0.977 20.272 -3.323 1.00 1.00 H new ATOM 507 N ALA A 109 2.239 22.728 -11.395 1.00 1.00 N ATOM 508 CA ALA A 109 2.626 23.859 -12.232 1.00 1.00 C ATOM 509 C ALA A 109 1.592 24.102 -13.339 1.00 1.00 C ATOM 510 O ALA A 109 1.143 25.228 -13.572 1.00 1.00 O ATOM 511 CB ALA A 109 3.991 23.560 -12.865 1.00 1.00 C ATOM 0 H ALA A 109 2.863 21.925 -11.477 1.00 1.00 H new ATOM 0 HA ALA A 109 2.681 24.755 -11.613 1.00 1.00 H new ATOM 0 HB1 ALA A 109 4.292 24.398 -13.494 1.00 1.00 H new ATOM 0 HB2 ALA A 109 4.732 23.411 -12.079 1.00 1.00 H new ATOM 0 HB3 ALA A 109 3.921 22.658 -13.473 1.00 1.00 H new ATOM 517 N LYS A 110 1.229 23.007 -14.020 1.00 1.00 N ATOM 518 CA LYS A 110 0.441 22.998 -15.237 1.00 1.00 C ATOM 519 C LYS A 110 -1.062 23.240 -15.026 1.00 1.00 C ATOM 520 O LYS A 110 -1.687 23.888 -15.867 1.00 1.00 O ATOM 521 CB LYS A 110 0.700 21.682 -15.986 1.00 1.00 C ATOM 522 CG LYS A 110 2.078 21.682 -16.676 1.00 1.00 C ATOM 523 CD LYS A 110 2.376 20.369 -17.417 1.00 1.00 C ATOM 524 CE LYS A 110 1.582 20.227 -18.729 1.00 1.00 C ATOM 525 NZ LYS A 110 2.127 21.068 -19.836 1.00 1.00 N ATOM 0 H LYS A 110 1.493 22.070 -13.717 1.00 1.00 H new ATOM 0 HA LYS A 110 0.767 23.848 -15.837 1.00 1.00 H new ATOM 0 HB2 LYS A 110 0.643 20.848 -15.287 1.00 1.00 H new ATOM 0 HB3 LYS A 110 -0.080 21.527 -16.731 1.00 1.00 H new ATOM 0 HG2 LYS A 110 2.125 22.511 -17.383 1.00 1.00 H new ATOM 0 HG3 LYS A 110 2.853 21.856 -15.929 1.00 1.00 H new ATOM 0 HD2 LYS A 110 3.442 20.315 -17.636 1.00 1.00 H new ATOM 0 HD3 LYS A 110 2.142 19.528 -16.764 1.00 1.00 H new ATOM 0 HE2 LYS A 110 1.587 19.182 -19.038 1.00 1.00 H new ATOM 0 HE3 LYS A 110 0.543 20.502 -18.550 1.00 1.00 H new ATOM 0 HZ1 LYS A 110 1.552 20.930 -20.692 1.00 1.00 H new ATOM 0 HZ2 LYS A 110 2.099 22.070 -19.557 1.00 1.00 H new ATOM 0 HZ3 LYS A 110 3.110 20.791 -20.031 1.00 1.00 H new ATOM 539 N TRP A 111 -1.627 22.762 -13.905 1.00 1.00 N ATOM 540 CA TRP A 111 -3.072 22.837 -13.608 1.00 1.00 C ATOM 541 C TRP A 111 -3.396 23.322 -12.180 1.00 1.00 C ATOM 542 O TRP A 111 -4.217 24.230 -12.033 1.00 1.00 O ATOM 543 CB TRP A 111 -3.741 21.481 -13.904 1.00 1.00 C ATOM 544 CG TRP A 111 -3.564 20.978 -15.308 1.00 1.00 C ATOM 545 CD1 TRP A 111 -4.267 21.381 -16.389 1.00 1.00 C ATOM 546 CD2 TRP A 111 -2.576 20.030 -15.818 1.00 1.00 C ATOM 547 NE1 TRP A 111 -3.775 20.764 -17.526 1.00 1.00 N ATOM 548 CE2 TRP A 111 -2.715 19.932 -17.233 1.00 1.00 C ATOM 549 CE3 TRP A 111 -1.554 19.267 -15.224 1.00 1.00 C ATOM 550 CZ2 TRP A 111 -1.880 19.118 -18.016 1.00 1.00 C ATOM 551 CZ3 TRP A 111 -0.681 18.483 -16.002 1.00 1.00 C ATOM 552 CH2 TRP A 111 -0.853 18.388 -17.392 1.00 1.00 C ATOM 0 H TRP A 111 -1.088 22.306 -13.168 1.00 1.00 H new ATOM 0 HA TRP A 111 -3.486 23.600 -14.267 1.00 1.00 H new ATOM 0 HB2 TRP A 111 -3.341 20.737 -13.215 1.00 1.00 H new ATOM 0 HB3 TRP A 111 -4.808 21.566 -13.697 1.00 1.00 H new ATOM 0 HD1 TRP A 111 -5.090 22.080 -16.369 1.00 1.00 H new ATOM 0 HE1 TRP A 111 -4.150 20.907 -18.464 1.00 1.00 H new ATOM 0 HE3 TRP A 111 -1.437 19.283 -14.150 1.00 1.00 H new ATOM 0 HZ2 TRP A 111 -2.025 19.054 -19.084 1.00 1.00 H new ATOM 0 HZ3 TRP A 111 0.128 17.950 -15.525 1.00 1.00 H new ATOM 0 HH2 TRP A 111 -0.201 17.758 -17.978 1.00 1.00 H new ATOM 563 N GLY A 112 -2.749 22.773 -11.138 1.00 1.00 N ATOM 564 CA GLY A 112 -2.819 23.306 -9.760 1.00 1.00 C ATOM 565 C GLY A 112 -2.907 22.250 -8.651 1.00 1.00 C ATOM 566 O GLY A 112 -3.441 21.168 -8.881 1.00 1.00 O ATOM 0 H GLY A 112 -2.160 21.945 -11.224 1.00 1.00 H new ATOM 0 HA2 GLY A 112 -1.938 23.923 -9.582 1.00 1.00 H new ATOM 0 HA3 GLY A 112 -3.687 23.961 -9.685 1.00 1.00 H new ATOM 570 N PRO A 113 -2.448 22.543 -7.416 1.00 1.00 N ATOM 571 CA PRO A 113 -2.477 21.591 -6.299 1.00 1.00 C ATOM 572 C PRO A 113 -3.886 21.142 -5.886 1.00 1.00 C ATOM 573 O PRO A 113 -4.077 19.990 -5.508 1.00 1.00 O ATOM 574 CB PRO A 113 -1.734 22.271 -5.143 1.00 1.00 C ATOM 575 CG PRO A 113 -1.783 23.758 -5.489 1.00 1.00 C ATOM 576 CD PRO A 113 -1.803 23.786 -7.013 1.00 1.00 C ATOM 0 HA PRO A 113 -1.996 20.661 -6.604 1.00 1.00 H new ATOM 0 HB2 PRO A 113 -2.216 22.069 -4.186 1.00 1.00 H new ATOM 0 HB3 PRO A 113 -0.707 21.914 -5.065 1.00 1.00 H new ATOM 0 HG2 PRO A 113 -2.669 24.236 -5.070 1.00 1.00 H new ATOM 0 HG3 PRO A 113 -0.917 24.288 -5.092 1.00 1.00 H new ATOM 0 HD2 PRO A 113 -2.353 24.651 -7.383 1.00 1.00 H new ATOM 0 HD3 PRO A 113 -0.793 23.853 -7.418 1.00 1.00 H new ATOM 584 N GLU A 114 -4.885 22.021 -6.006 1.00 1.00 N ATOM 585 CA GLU A 114 -6.288 21.709 -5.697 1.00 1.00 C ATOM 586 C GLU A 114 -6.822 20.625 -6.629 1.00 1.00 C ATOM 587 O GLU A 114 -7.427 19.642 -6.200 1.00 1.00 O ATOM 588 CB GLU A 114 -7.162 22.953 -5.881 1.00 1.00 C ATOM 589 CG GLU A 114 -6.584 24.216 -5.241 1.00 1.00 C ATOM 590 CD GLU A 114 -7.606 25.369 -5.254 1.00 1.00 C ATOM 591 OE1 GLU A 114 -7.653 26.135 -6.250 1.00 1.00 O ATOM 592 OE2 GLU A 114 -8.373 25.520 -4.270 1.00 1.00 O ATOM 0 H GLU A 114 -4.743 22.980 -6.324 1.00 1.00 H new ATOM 0 HA GLU A 114 -6.325 21.364 -4.664 1.00 1.00 H new ATOM 0 HB2 GLU A 114 -7.305 23.130 -6.947 1.00 1.00 H new ATOM 0 HB3 GLU A 114 -8.147 22.760 -5.455 1.00 1.00 H new ATOM 0 HG2 GLU A 114 -6.287 24.002 -4.214 1.00 1.00 H new ATOM 0 HG3 GLU A 114 -5.684 24.519 -5.777 1.00 1.00 H new ATOM 599 N ALA A 115 -6.538 20.813 -7.919 1.00 1.00 N ATOM 600 CA ALA A 115 -6.872 19.895 -8.996 1.00 1.00 C ATOM 601 C ALA A 115 -6.226 18.532 -8.735 1.00 1.00 C ATOM 602 O ALA A 115 -6.888 17.501 -8.660 1.00 1.00 O ATOM 603 CB ALA A 115 -6.356 20.482 -10.316 1.00 1.00 C ATOM 0 H ALA A 115 -6.049 21.645 -8.250 1.00 1.00 H new ATOM 0 HA ALA A 115 -7.952 19.760 -9.051 1.00 1.00 H new ATOM 0 HB1 ALA A 115 -6.599 19.805 -11.135 1.00 1.00 H new ATOM 0 HB2 ALA A 115 -6.827 21.449 -10.493 1.00 1.00 H new ATOM 0 HB3 ALA A 115 -5.275 20.610 -10.259 1.00 1.00 H new ATOM 609 N VAL A 116 -4.915 18.577 -8.513 1.00 1.00 N ATOM 610 CA VAL A 116 -4.045 17.432 -8.319 1.00 1.00 C ATOM 611 C VAL A 116 -4.499 16.560 -7.147 1.00 1.00 C ATOM 612 O VAL A 116 -4.656 15.351 -7.303 1.00 1.00 O ATOM 613 CB VAL A 116 -2.607 17.947 -8.170 1.00 1.00 C ATOM 614 CG1 VAL A 116 -1.606 16.942 -7.604 1.00 1.00 C ATOM 615 CG2 VAL A 116 -2.114 18.401 -9.550 1.00 1.00 C ATOM 0 H VAL A 116 -4.410 19.462 -8.462 1.00 1.00 H new ATOM 0 HA VAL A 116 -4.093 16.773 -9.186 1.00 1.00 H new ATOM 0 HB VAL A 116 -2.653 18.758 -7.443 1.00 1.00 H new ATOM 0 HG11 VAL A 116 -0.622 17.406 -7.540 1.00 1.00 H new ATOM 0 HG12 VAL A 116 -1.926 16.630 -6.610 1.00 1.00 H new ATOM 0 HG13 VAL A 116 -1.555 16.072 -8.258 1.00 1.00 H new ATOM 0 HG21 VAL A 116 -1.092 18.772 -9.468 1.00 1.00 H new ATOM 0 HG22 VAL A 116 -2.140 17.558 -10.241 1.00 1.00 H new ATOM 0 HG23 VAL A 116 -2.759 19.196 -9.923 1.00 1.00 H new ATOM 625 N GLU A 117 -4.796 17.167 -5.994 1.00 1.00 N ATOM 626 CA GLU A 117 -5.363 16.465 -4.837 1.00 1.00 C ATOM 627 C GLU A 117 -6.782 15.936 -5.105 1.00 1.00 C ATOM 628 O GLU A 117 -7.132 14.849 -4.641 1.00 1.00 O ATOM 629 CB GLU A 117 -5.420 17.426 -3.640 1.00 1.00 C ATOM 630 CG GLU A 117 -4.058 17.634 -2.970 1.00 1.00 C ATOM 631 CD GLU A 117 -3.814 16.524 -1.919 1.00 1.00 C ATOM 632 OE1 GLU A 117 -3.384 15.399 -2.268 1.00 1.00 O ATOM 633 OE2 GLU A 117 -4.151 16.713 -0.724 1.00 1.00 O ATOM 0 H GLU A 117 -4.649 18.164 -5.836 1.00 1.00 H new ATOM 0 HA GLU A 117 -4.718 15.611 -4.631 1.00 1.00 H new ATOM 0 HB2 GLU A 117 -5.805 18.390 -3.974 1.00 1.00 H new ATOM 0 HB3 GLU A 117 -6.125 17.039 -2.904 1.00 1.00 H new ATOM 0 HG2 GLU A 117 -3.267 17.617 -3.720 1.00 1.00 H new ATOM 0 HG3 GLU A 117 -4.023 18.613 -2.493 1.00 1.00 H new ATOM 640 N SER A 118 -7.599 16.676 -5.865 1.00 1.00 N ATOM 641 CA SER A 118 -8.974 16.264 -6.202 1.00 1.00 C ATOM 642 C SER A 118 -9.012 15.023 -7.103 1.00 1.00 C ATOM 643 O SER A 118 -9.936 14.213 -7.004 1.00 1.00 O ATOM 644 CB SER A 118 -9.763 17.397 -6.877 1.00 1.00 C ATOM 645 OG SER A 118 -9.882 18.518 -6.017 1.00 1.00 O ATOM 0 H SER A 118 -7.330 17.575 -6.264 1.00 1.00 H new ATOM 0 HA SER A 118 -9.444 16.016 -5.250 1.00 1.00 H new ATOM 0 HB2 SER A 118 -9.263 17.693 -7.799 1.00 1.00 H new ATOM 0 HB3 SER A 118 -10.755 17.039 -7.153 1.00 1.00 H new ATOM 0 HG SER A 118 -9.090 19.088 -6.111 1.00 1.00 H new ATOM 651 N TRP A 119 -7.997 14.841 -7.952 1.00 1.00 N ATOM 652 CA TRP A 119 -7.817 13.646 -8.781 1.00 1.00 C ATOM 653 C TRP A 119 -7.296 12.414 -8.006 1.00 1.00 C ATOM 654 O TRP A 119 -7.224 11.324 -8.586 1.00 1.00 O ATOM 655 CB TRP A 119 -6.838 13.940 -9.930 1.00 1.00 C ATOM 656 CG TRP A 119 -7.046 15.149 -10.797 1.00 1.00 C ATOM 657 CD1 TRP A 119 -8.215 15.783 -11.043 1.00 1.00 C ATOM 658 CD2 TRP A 119 -6.031 15.872 -11.564 1.00 1.00 C ATOM 659 NE1 TRP A 119 -7.992 16.865 -11.872 1.00 1.00 N ATOM 660 CE2 TRP A 119 -6.660 16.969 -12.226 1.00 1.00 C ATOM 661 CE3 TRP A 119 -4.644 15.706 -11.784 1.00 1.00 C ATOM 662 CZ2 TRP A 119 -5.952 17.864 -13.038 1.00 1.00 C ATOM 663 CZ3 TRP A 119 -3.924 16.590 -12.611 1.00 1.00 C ATOM 664 CH2 TRP A 119 -4.574 17.670 -13.231 1.00 1.00 C ATOM 0 H TRP A 119 -7.262 15.535 -8.085 1.00 1.00 H new ATOM 0 HA TRP A 119 -8.811 13.401 -9.155 1.00 1.00 H new ATOM 0 HB2 TRP A 119 -5.841 14.019 -9.496 1.00 1.00 H new ATOM 0 HB3 TRP A 119 -6.833 13.068 -10.584 1.00 1.00 H new ATOM 0 HD1 TRP A 119 -9.177 15.488 -10.651 1.00 1.00 H new ATOM 0 HE1 TRP A 119 -8.720 17.508 -12.184 1.00 1.00 H new ATOM 0 HE3 TRP A 119 -4.127 14.886 -11.309 1.00 1.00 H new ATOM 0 HZ2 TRP A 119 -6.459 18.693 -13.510 1.00 1.00 H new ATOM 0 HZ3 TRP A 119 -2.867 16.437 -12.769 1.00 1.00 H new ATOM 0 HH2 TRP A 119 -4.015 18.351 -13.856 1.00 1.00 H new ATOM 675 N ALA A 120 -6.886 12.554 -6.738 1.00 1.00 N ATOM 676 CA ALA A 120 -6.252 11.483 -5.990 1.00 1.00 C ATOM 677 C ALA A 120 -7.197 10.339 -5.583 1.00 1.00 C ATOM 678 O ALA A 120 -8.429 10.413 -5.611 1.00 1.00 O ATOM 679 CB ALA A 120 -5.524 12.040 -4.756 1.00 1.00 C ATOM 0 H ALA A 120 -6.989 13.420 -6.209 1.00 1.00 H new ATOM 0 HA ALA A 120 -5.533 11.039 -6.678 1.00 1.00 H new ATOM 0 HB1 ALA A 120 -5.056 11.221 -4.209 1.00 1.00 H new ATOM 0 HB2 ALA A 120 -4.759 12.748 -5.074 1.00 1.00 H new ATOM 0 HB3 ALA A 120 -6.240 12.546 -4.108 1.00 1.00 H new ATOM 685 N THR A 121 -6.527 9.296 -5.117 1.00 1.00 N ATOM 686 CA THR A 121 -7.014 7.978 -4.695 1.00 1.00 C ATOM 687 C THR A 121 -6.194 7.530 -3.496 1.00 1.00 C ATOM 688 O THR A 121 -4.980 7.690 -3.491 1.00 1.00 O ATOM 689 CB THR A 121 -6.801 6.979 -5.836 1.00 1.00 C ATOM 690 OG1 THR A 121 -7.488 7.384 -7.007 1.00 1.00 O ATOM 691 CG2 THR A 121 -7.332 5.599 -5.453 1.00 1.00 C ATOM 0 H THR A 121 -5.514 9.353 -5.011 1.00 1.00 H new ATOM 0 HA THR A 121 -8.072 8.029 -4.439 1.00 1.00 H new ATOM 0 HB THR A 121 -5.728 6.941 -6.023 1.00 1.00 H new ATOM 0 HG1 THR A 121 -7.333 6.729 -7.720 1.00 1.00 H new ATOM 0 HG21 THR A 121 -7.170 4.905 -6.278 1.00 1.00 H new ATOM 0 HG22 THR A 121 -6.806 5.240 -4.568 1.00 1.00 H new ATOM 0 HG23 THR A 121 -8.399 5.666 -5.239 1.00 1.00 H new ATOM 699 N LEU A 122 -6.830 6.921 -2.500 1.00 1.00 N ATOM 700 CA LEU A 122 -6.190 6.473 -1.262 1.00 1.00 C ATOM 701 C LEU A 122 -5.851 4.981 -1.358 1.00 1.00 C ATOM 702 O LEU A 122 -6.723 4.156 -1.634 1.00 1.00 O ATOM 703 CB LEU A 122 -7.147 6.776 -0.096 1.00 1.00 C ATOM 704 CG LEU A 122 -6.751 6.151 1.258 1.00 1.00 C ATOM 705 CD1 LEU A 122 -5.380 6.604 1.763 1.00 1.00 C ATOM 706 CD2 LEU A 122 -7.786 6.508 2.321 1.00 1.00 C ATOM 0 H LEU A 122 -7.829 6.719 -2.530 1.00 1.00 H new ATOM 0 HA LEU A 122 -5.251 7.000 -1.093 1.00 1.00 H new ATOM 0 HB2 LEU A 122 -7.214 7.857 0.027 1.00 1.00 H new ATOM 0 HB3 LEU A 122 -8.143 6.423 -0.363 1.00 1.00 H new ATOM 0 HG LEU A 122 -6.707 5.076 1.086 1.00 1.00 H new ATOM 0 HD11 LEU A 122 -5.168 6.125 2.719 1.00 1.00 H new ATOM 0 HD12 LEU A 122 -4.615 6.324 1.039 1.00 1.00 H new ATOM 0 HD13 LEU A 122 -5.379 7.686 1.891 1.00 1.00 H new ATOM 0 HD21 LEU A 122 -7.498 6.063 3.273 1.00 1.00 H new ATOM 0 HD22 LEU A 122 -7.838 7.591 2.428 1.00 1.00 H new ATOM 0 HD23 LEU A 122 -8.762 6.125 2.022 1.00 1.00 H new ATOM 718 N LEU A 123 -4.586 4.649 -1.099 1.00 1.00 N ATOM 719 CA LEU A 123 -4.018 3.307 -1.185 1.00 1.00 C ATOM 720 C LEU A 123 -3.338 2.912 0.137 1.00 1.00 C ATOM 721 O LEU A 123 -2.417 3.566 0.624 1.00 1.00 O ATOM 722 CB LEU A 123 -3.046 3.250 -2.379 1.00 1.00 C ATOM 723 CG LEU A 123 -3.691 3.570 -3.734 1.00 1.00 C ATOM 724 CD1 LEU A 123 -2.614 3.481 -4.808 1.00 1.00 C ATOM 725 CD2 LEU A 123 -4.801 2.588 -4.120 1.00 1.00 C ATOM 0 H LEU A 123 -3.898 5.344 -0.810 1.00 1.00 H new ATOM 0 HA LEU A 123 -4.813 2.580 -1.352 1.00 1.00 H new ATOM 0 HB2 LEU A 123 -2.231 3.952 -2.203 1.00 1.00 H new ATOM 0 HB3 LEU A 123 -2.605 2.254 -2.426 1.00 1.00 H new ATOM 0 HG LEU A 123 -4.131 4.564 -3.653 1.00 1.00 H new ATOM 0 HD11 LEU A 123 -3.051 3.705 -5.781 1.00 1.00 H new ATOM 0 HD12 LEU A 123 -1.824 4.200 -4.591 1.00 1.00 H new ATOM 0 HD13 LEU A 123 -2.196 2.475 -4.821 1.00 1.00 H new ATOM 0 HD21 LEU A 123 -5.216 2.870 -5.088 1.00 1.00 H new ATOM 0 HD22 LEU A 123 -4.390 1.580 -4.181 1.00 1.00 H new ATOM 0 HD23 LEU A 123 -5.588 2.614 -3.366 1.00 1.00 H new ATOM 737 N GLY A 124 -3.825 1.811 0.713 1.00 1.00 N ATOM 738 CA GLY A 124 -3.409 1.317 2.040 1.00 1.00 C ATOM 739 C GLY A 124 -2.189 0.384 2.046 1.00 1.00 C ATOM 740 O GLY A 124 -1.676 0.062 3.121 1.00 1.00 O ATOM 0 H GLY A 124 -4.531 1.224 0.269 1.00 1.00 H new ATOM 0 HA2 GLY A 124 -3.191 2.175 2.676 1.00 1.00 H new ATOM 0 HA3 GLY A 124 -4.249 0.790 2.492 1.00 1.00 H new ATOM 744 N HIS A 125 -1.713 -0.031 0.865 1.00 1.00 N ATOM 745 CA HIS A 125 -0.576 -0.946 0.661 1.00 1.00 C ATOM 746 C HIS A 125 0.278 -0.523 -0.548 1.00 1.00 C ATOM 747 O HIS A 125 -0.296 -0.155 -1.598 1.00 1.00 O ATOM 748 CB HIS A 125 -1.070 -2.390 0.489 1.00 1.00 C ATOM 749 CG HIS A 125 -1.934 -2.901 1.615 1.00 1.00 C ATOM 750 ND1 HIS A 125 -1.510 -3.228 2.891 1.00 1.00 N ATOM 751 CD2 HIS A 125 -3.283 -3.128 1.552 1.00 1.00 C ATOM 752 CE1 HIS A 125 -2.586 -3.641 3.596 1.00 1.00 C ATOM 753 NE2 HIS A 125 -3.674 -3.596 2.798 1.00 1.00 N ATOM 0 H HIS A 125 -2.127 0.274 -0.016 1.00 1.00 H new ATOM 0 HA HIS A 125 0.054 -0.894 1.549 1.00 1.00 H new ATOM 0 HB2 HIS A 125 -1.633 -2.458 -0.442 1.00 1.00 H new ATOM 0 HB3 HIS A 125 -0.205 -3.045 0.387 1.00 1.00 H new ATOM 0 HD2 HIS A 125 -3.921 -2.972 0.695 1.00 1.00 H new ATOM 0 HE1 HIS A 125 -2.577 -3.956 4.629 1.00 1.00 H new ATOM 0 HE2 HIS A 125 -4.622 -3.861 3.066 1.00 1.00 H new TER 762 HIS A 125 ATOM 763 O5' DC B 1 -3.134 28.343 6.427 1.00 1.00 O ATOM 764 C5' DC B 1 -3.308 29.464 7.298 1.00 1.00 C ATOM 765 C4' DC B 1 -2.576 29.324 8.648 1.00 1.00 C ATOM 766 O4' DC B 1 -3.165 28.308 9.454 1.00 1.00 O ATOM 767 C3' DC B 1 -1.084 29.022 8.465 1.00 1.00 C ATOM 768 O3' DC B 1 -0.298 29.906 9.269 1.00 1.00 O ATOM 769 C2' DC B 1 -0.986 27.555 8.866 1.00 1.00 C ATOM 770 C1' DC B 1 -2.174 27.354 9.807 1.00 1.00 C ATOM 771 N1 DC B 1 -2.760 25.993 9.740 1.00 1.00 N ATOM 772 C2 DC B 1 -3.017 25.263 10.907 1.00 1.00 C ATOM 773 O2 DC B 1 -2.718 25.689 12.026 1.00 1.00 O ATOM 774 N3 DC B 1 -3.617 24.048 10.847 1.00 1.00 N ATOM 775 C4 DC B 1 -3.915 23.558 9.660 1.00 1.00 C ATOM 776 N4 DC B 1 -4.516 22.401 9.660 1.00 1.00 N ATOM 777 C5 DC B 1 -3.666 24.248 8.440 1.00 1.00 C ATOM 778 C6 DC B 1 -3.093 25.468 8.528 1.00 1.00 C ATOM 0 H5' DC B 1 -4.373 29.604 7.486 1.00 1.00 H new ATOM 0 H5'' DC B 1 -2.952 30.362 6.794 1.00 1.00 H new ATOM 0 H4' DC B 1 -2.676 30.286 9.151 1.00 1.00 H new ATOM 0 H3' DC B 1 -0.701 29.179 7.457 1.00 1.00 H new ATOM 0 H2' DC B 1 -1.047 26.898 7.998 1.00 1.00 H new ATOM 0 H2'' DC B 1 -0.041 27.339 9.363 1.00 1.00 H new ATOM 0 HO5' DC B 1 -3.625 28.498 5.593 1.00 1.00 H new ATOM 0 H1' DC B 1 -1.819 27.483 10.829 1.00 1.00 H new ATOM 0 H41 DC B 1 -4.777 21.962 8.777 1.00 1.00 H new ATOM 0 H42 DC B 1 -4.726 21.935 10.543 1.00 1.00 H new ATOM 0 H5 DC B 1 -3.924 23.815 7.485 1.00 1.00 H new ATOM 0 H6 DC B 1 -2.897 26.033 7.629 1.00 1.00 H new ATOM 791 P DG B 2 1.329 29.896 9.269 1.00 1.00 P ATOM 792 OP1 DG B 2 1.783 31.260 9.660 1.00 1.00 O ATOM 793 OP2 DG B 2 1.809 29.337 7.974 1.00 1.00 O ATOM 794 O5' DG B 2 1.730 28.855 10.456 1.00 1.00 O ATOM 795 C5' DG B 2 1.513 29.181 11.831 1.00 1.00 C ATOM 796 C4' DG B 2 1.985 28.099 12.824 1.00 1.00 C ATOM 797 O4' DG B 2 1.078 26.996 12.857 1.00 1.00 O ATOM 798 C3' DG B 2 3.396 27.562 12.516 1.00 1.00 C ATOM 799 O3' DG B 2 4.168 27.515 13.716 1.00 1.00 O ATOM 800 C2' DG B 2 3.064 26.191 11.922 1.00 1.00 C ATOM 801 C1' DG B 2 1.818 25.793 12.707 1.00 1.00 C ATOM 802 N9 DG B 2 0.998 24.775 12.018 1.00 1.00 N ATOM 803 C8 DG B 2 0.625 24.767 10.704 1.00 1.00 C ATOM 804 N7 DG B 2 -0.147 23.770 10.361 1.00 1.00 N ATOM 805 C5 DG B 2 -0.271 23.037 11.550 1.00 1.00 C ATOM 806 C6 DG B 2 -0.980 21.820 11.854 1.00 1.00 C ATOM 807 O6 DG B 2 -1.717 21.145 11.139 1.00 1.00 O ATOM 808 N1 DG B 2 -0.791 21.375 13.146 1.00 1.00 N ATOM 809 C2 DG B 2 -0.045 22.033 14.061 1.00 1.00 C ATOM 810 N2 DG B 2 0.048 21.479 15.240 1.00 1.00 N ATOM 811 N3 DG B 2 0.596 23.180 13.846 1.00 1.00 N ATOM 812 C4 DG B 2 0.451 23.636 12.563 1.00 1.00 C ATOM 0 H5' DG B 2 0.449 29.360 11.986 1.00 1.00 H new ATOM 0 H5'' DG B 2 2.029 30.114 12.057 1.00 1.00 H new ATOM 0 H4' DG B 2 2.015 28.595 13.794 1.00 1.00 H new ATOM 0 H3' DG B 2 4.008 28.162 11.842 1.00 1.00 H new ATOM 0 H2' DG B 2 2.870 26.248 10.851 1.00 1.00 H new ATOM 0 H2'' DG B 2 3.878 25.479 12.061 1.00 1.00 H new ATOM 0 H1' DG B 2 2.099 25.338 13.657 1.00 1.00 H new ATOM 0 H8 DG B 2 0.943 25.525 10.004 1.00 1.00 H new ATOM 0 H1 DG B 2 -1.238 20.502 13.426 1.00 1.00 H new ATOM 0 H21 DG B 2 0.597 21.928 15.973 1.00 1.00 H new ATOM 0 H22 DG B 2 -0.429 20.597 15.428 1.00 1.00 H new ATOM 824 P DC B 3 5.716 27.009 13.757 1.00 1.00 P ATOM 825 OP1 DC B 3 6.421 27.786 14.817 1.00 1.00 O ATOM 826 OP2 DC B 3 6.281 27.023 12.378 1.00 1.00 O ATOM 827 O5' DC B 3 5.587 25.465 14.247 1.00 1.00 O ATOM 828 C5' DC B 3 5.146 25.163 15.570 1.00 1.00 C ATOM 829 C4' DC B 3 4.983 23.661 15.853 1.00 1.00 C ATOM 830 O4' DC B 3 3.907 23.145 15.084 1.00 1.00 O ATOM 831 C3' DC B 3 6.251 22.832 15.578 1.00 1.00 C ATOM 832 O3' DC B 3 6.752 22.282 16.798 1.00 1.00 O ATOM 833 C2' DC B 3 5.776 21.766 14.586 1.00 1.00 C ATOM 834 C1' DC B 3 4.251 21.857 14.615 1.00 1.00 C ATOM 835 N1 DC B 3 3.655 21.656 13.272 1.00 1.00 N ATOM 836 C2 DC B 3 2.813 20.565 13.036 1.00 1.00 C ATOM 837 O2 DC B 3 2.581 19.714 13.895 1.00 1.00 O ATOM 838 N3 DC B 3 2.209 20.405 11.836 1.00 1.00 N ATOM 839 C4 DC B 3 2.467 21.281 10.888 1.00 1.00 C ATOM 840 N4 DC B 3 1.848 21.069 9.759 1.00 1.00 N ATOM 841 C5 DC B 3 3.331 22.401 11.053 1.00 1.00 C ATOM 842 C6 DC B 3 3.913 22.552 12.272 1.00 1.00 C ATOM 0 H5' DC B 3 4.192 25.660 15.745 1.00 1.00 H new ATOM 0 H5'' DC B 3 5.858 25.580 16.282 1.00 1.00 H new ATOM 0 H4' DC B 3 4.780 23.572 16.920 1.00 1.00 H new ATOM 0 H3' DC B 3 7.082 23.408 15.170 1.00 1.00 H new ATOM 0 H2' DC B 3 6.165 21.956 13.585 1.00 1.00 H new ATOM 0 H2'' DC B 3 6.119 20.773 14.878 1.00 1.00 H new ATOM 0 H1' DC B 3 3.864 21.072 15.265 1.00 1.00 H new ATOM 0 H41 DC B 3 1.992 21.701 8.972 1.00 1.00 H new ATOM 0 H42 DC B 3 1.220 20.271 9.664 1.00 1.00 H new ATOM 0 H5 DC B 3 3.515 23.097 10.248 1.00 1.00 H new ATOM 0 H6 DC B 3 4.581 23.382 12.451 1.00 1.00 H new ATOM 854 P DA B 4 8.172 21.495 16.896 1.00 1.00 P ATOM 855 OP1 DA B 4 8.566 21.460 18.333 1.00 1.00 O ATOM 856 OP2 DA B 4 9.125 22.093 15.919 1.00 1.00 O ATOM 857 O5' DA B 4 7.843 19.978 16.419 1.00 1.00 O ATOM 858 C5' DA B 4 6.962 19.143 17.168 1.00 1.00 C ATOM 859 C4' DA B 4 6.627 17.809 16.476 1.00 1.00 C ATOM 860 O4' DA B 4 5.702 17.981 15.404 1.00 1.00 O ATOM 861 C3' DA B 4 7.863 17.061 15.935 1.00 1.00 C ATOM 862 O3' DA B 4 7.938 15.757 16.507 1.00 1.00 O ATOM 863 C2' DA B 4 7.602 17.082 14.429 1.00 1.00 C ATOM 864 C1' DA B 4 6.079 17.100 14.362 1.00 1.00 C ATOM 865 N9 DA B 4 5.596 17.619 13.073 1.00 1.00 N ATOM 866 C8 DA B 4 5.956 18.803 12.494 1.00 1.00 C ATOM 867 N7 DA B 4 5.320 19.087 11.390 1.00 1.00 N ATOM 868 C5 DA B 4 4.513 17.951 11.208 1.00 1.00 C ATOM 869 C6 DA B 4 3.588 17.535 10.221 1.00 1.00 C ATOM 870 N6 DA B 4 3.218 18.273 9.197 1.00 1.00 N ATOM 871 N1 DA B 4 3.004 16.334 10.268 1.00 1.00 N ATOM 872 C2 DA B 4 3.301 15.551 11.296 1.00 1.00 C ATOM 873 N3 DA B 4 4.121 15.806 12.310 1.00 1.00 N ATOM 874 C4 DA B 4 4.701 17.036 12.208 1.00 1.00 C ATOM 0 H5' DA B 4 6.036 19.686 17.357 1.00 1.00 H new ATOM 0 H5'' DA B 4 7.412 18.934 18.138 1.00 1.00 H new ATOM 0 H4' DA B 4 6.180 17.203 17.264 1.00 1.00 H new ATOM 0 H3' DA B 4 8.831 17.499 16.181 1.00 1.00 H new ATOM 0 H2' DA B 4 8.040 17.959 13.953 1.00 1.00 H new ATOM 0 H2'' DA B 4 8.020 16.207 13.932 1.00 1.00 H new ATOM 0 H1' DA B 4 5.659 16.099 14.462 1.00 1.00 H new ATOM 0 H8 DA B 4 6.708 19.453 12.917 1.00 1.00 H new ATOM 0 H61 DA B 4 2.545 17.909 8.522 1.00 1.00 H new ATOM 0 H62 DA B 4 3.604 19.210 9.078 1.00 1.00 H new ATOM 0 H2 DA B 4 2.816 14.586 11.311 1.00 1.00 H new ATOM 886 P DT B 5 9.220 14.781 16.291 1.00 1.00 P ATOM 887 OP1 DT B 5 9.311 13.881 17.475 1.00 1.00 O ATOM 888 OP2 DT B 5 10.416 15.599 15.938 1.00 1.00 O ATOM 889 O5' DT B 5 8.810 13.896 14.999 1.00 1.00 O ATOM 890 C5' DT B 5 7.772 12.924 15.075 1.00 1.00 C ATOM 891 C4' DT B 5 7.499 12.214 13.737 1.00 1.00 C ATOM 892 O4' DT B 5 6.851 13.101 12.829 1.00 1.00 O ATOM 893 C3' DT B 5 8.769 11.654 13.067 1.00 1.00 C ATOM 894 O3' DT B 5 8.619 10.257 12.838 1.00 1.00 O ATOM 895 C2' DT B 5 8.857 12.499 11.796 1.00 1.00 C ATOM 896 C1' DT B 5 7.403 12.898 11.543 1.00 1.00 C ATOM 897 N1 DT B 5 7.225 14.134 10.728 1.00 1.00 N ATOM 898 C2 DT B 5 6.311 14.097 9.666 1.00 1.00 C ATOM 899 O2 DT B 5 5.691 13.087 9.339 1.00 1.00 O ATOM 900 N3 DT B 5 6.118 15.263 8.960 1.00 1.00 N ATOM 901 C4 DT B 5 6.790 16.443 9.180 1.00 1.00 C ATOM 902 O4 DT B 5 6.511 17.417 8.485 1.00 1.00 O ATOM 903 C5 DT B 5 7.779 16.402 10.255 1.00 1.00 C ATOM 904 C7 DT B 5 8.653 17.609 10.542 1.00 1.00 C ATOM 905 C6 DT B 5 7.940 15.283 11.004 1.00 1.00 C ATOM 0 H5' DT B 5 6.856 13.408 15.415 1.00 1.00 H new ATOM 0 H5'' DT B 5 8.036 12.179 15.826 1.00 1.00 H new ATOM 0 H4' DT B 5 6.856 11.367 13.975 1.00 1.00 H new ATOM 0 H3' DT B 5 9.685 11.723 13.653 1.00 1.00 H new ATOM 0 H2' DT B 5 9.496 13.371 11.935 1.00 1.00 H new ATOM 0 H2'' DT B 5 9.270 11.931 10.962 1.00 1.00 H new ATOM 0 H1' DT B 5 6.917 12.115 10.961 1.00 1.00 H new ATOM 0 H3 DT B 5 5.422 15.251 8.215 1.00 1.00 H new ATOM 0 H71 DT B 5 8.908 17.630 11.602 1.00 1.00 H new ATOM 0 H72 DT B 5 9.566 17.546 9.950 1.00 1.00 H new ATOM 0 H73 DT B 5 8.113 18.519 10.281 1.00 1.00 H new ATOM 0 H6 DT B 5 8.638 15.290 11.828 1.00 1.00 H new ATOM 918 P DA B 6 9.779 9.343 12.157 1.00 1.00 P ATOM 919 OP1 DA B 6 9.720 7.990 12.777 1.00 1.00 O ATOM 920 OP2 DA B 6 11.075 10.079 12.182 1.00 1.00 O ATOM 921 O5' DA B 6 9.279 9.239 10.616 1.00 1.00 O ATOM 922 C5' DA B 6 8.061 8.568 10.308 1.00 1.00 C ATOM 923 C4' DA B 6 7.715 8.522 8.813 1.00 1.00 C ATOM 924 O4' DA B 6 7.299 9.807 8.349 1.00 1.00 O ATOM 925 C3' DA B 6 8.862 8.012 7.930 1.00 1.00 C ATOM 926 O3' DA B 6 8.358 7.032 7.032 1.00 1.00 O ATOM 927 C2' DA B 6 9.355 9.306 7.292 1.00 1.00 C ATOM 928 C1' DA B 6 8.116 10.198 7.259 1.00 1.00 C ATOM 929 N9 DA B 6 8.446 11.634 7.376 1.00 1.00 N ATOM 930 C8 DA B 6 9.398 12.215 8.171 1.00 1.00 C ATOM 931 N7 DA B 6 9.525 13.508 8.023 1.00 1.00 N ATOM 932 C5 DA B 6 8.583 13.789 7.021 1.00 1.00 C ATOM 933 C6 DA B 6 8.190 14.957 6.323 1.00 1.00 C ATOM 934 N6 DA B 6 8.703 16.159 6.517 1.00 1.00 N ATOM 935 N1 DA B 6 7.256 14.913 5.374 1.00 1.00 N ATOM 936 C2 DA B 6 6.694 13.743 5.104 1.00 1.00 C ATOM 937 N3 DA B 6 6.941 12.571 5.679 1.00 1.00 N ATOM 938 C4 DA B 6 7.912 12.659 6.632 1.00 1.00 C ATOM 0 H5' DA B 6 7.247 9.059 10.841 1.00 1.00 H new ATOM 0 H5'' DA B 6 8.119 7.547 10.685 1.00 1.00 H new ATOM 0 H4' DA B 6 6.898 7.806 8.725 1.00 1.00 H new ATOM 0 H3' DA B 6 9.681 7.495 8.430 1.00 1.00 H new ATOM 0 H2' DA B 6 10.157 9.758 7.876 1.00 1.00 H new ATOM 0 H2'' DA B 6 9.748 9.132 6.290 1.00 1.00 H new ATOM 0 H1' DA B 6 7.611 10.075 6.301 1.00 1.00 H new ATOM 0 H8 DA B 6 9.998 11.648 8.867 1.00 1.00 H new ATOM 0 H61 DA B 6 8.365 16.952 5.972 1.00 1.00 H new ATOM 0 H62 DA B 6 9.437 16.294 7.212 1.00 1.00 H new ATOM 0 H2 DA B 6 5.947 13.743 4.324 1.00 1.00 H new ATOM 950 P DT B 7 9.245 6.356 5.850 1.00 1.00 P ATOM 951 OP1 DT B 7 8.671 5.015 5.552 1.00 1.00 O ATOM 952 OP2 DT B 7 10.695 6.453 6.184 1.00 1.00 O ATOM 953 O5' DT B 7 8.921 7.340 4.606 1.00 1.00 O ATOM 954 C5' DT B 7 7.580 7.511 4.169 1.00 1.00 C ATOM 955 C4' DT B 7 7.398 8.651 3.161 1.00 1.00 C ATOM 956 O4' DT B 7 7.766 9.897 3.732 1.00 1.00 O ATOM 957 C3' DT B 7 8.191 8.452 1.862 1.00 1.00 C ATOM 958 O3' DT B 7 7.314 8.655 0.759 1.00 1.00 O ATOM 959 C2' DT B 7 9.239 9.549 1.975 1.00 1.00 C ATOM 960 C1' DT B 7 8.456 10.616 2.728 1.00 1.00 C ATOM 961 N1 DT B 7 9.318 11.659 3.328 1.00 1.00 N ATOM 962 C2 DT B 7 9.124 12.991 2.942 1.00 1.00 C ATOM 963 O2 DT B 7 8.330 13.357 2.076 1.00 1.00 O ATOM 964 N3 DT B 7 9.893 13.930 3.578 1.00 1.00 N ATOM 965 C4 DT B 7 10.875 13.680 4.499 1.00 1.00 C ATOM 966 O4 DT B 7 11.491 14.642 4.959 1.00 1.00 O ATOM 967 C5 DT B 7 11.070 12.263 4.823 1.00 1.00 C ATOM 968 C7 DT B 7 12.140 11.848 5.815 1.00 1.00 C ATOM 969 C6 DT B 7 10.296 11.313 4.234 1.00 1.00 C ATOM 0 H5' DT B 7 6.947 7.700 5.036 1.00 1.00 H new ATOM 0 H5'' DT B 7 7.233 6.581 3.718 1.00 1.00 H new ATOM 0 H4' DT B 7 6.338 8.646 2.908 1.00 1.00 H new ATOM 0 H3' DT B 7 8.632 7.466 1.717 1.00 1.00 H new ATOM 0 H2' DT B 7 10.123 9.221 2.523 1.00 1.00 H new ATOM 0 H2'' DT B 7 9.579 9.897 1.000 1.00 1.00 H new ATOM 0 H1' DT B 7 7.796 11.163 2.055 1.00 1.00 H new ATOM 0 H3 DT B 7 9.717 14.907 3.343 1.00 1.00 H new ATOM 0 H71 DT B 7 11.829 10.936 6.325 1.00 1.00 H new ATOM 0 H72 DT B 7 13.076 11.667 5.286 1.00 1.00 H new ATOM 0 H73 DT B 7 12.285 12.642 6.547 1.00 1.00 H new ATOM 0 H6 DT B 7 10.450 10.273 4.480 1.00 1.00 H new ATOM 982 P DA B 8 7.557 7.998 -0.689 1.00 1.00 P ATOM 983 OP1 DA B 8 6.251 8.014 -1.398 1.00 1.00 O ATOM 984 OP2 DA B 8 8.222 6.682 -0.500 1.00 1.00 O ATOM 985 O5' DA B 8 8.566 9.014 -1.425 1.00 1.00 O ATOM 986 C5' DA B 8 8.063 10.154 -2.108 1.00 1.00 C ATOM 987 C4' DA B 8 9.141 11.135 -2.591 1.00 1.00 C ATOM 988 O4' DA B 8 9.555 11.975 -1.522 1.00 1.00 O ATOM 989 C3' DA B 8 10.401 10.488 -3.205 1.00 1.00 C ATOM 990 O3' DA B 8 10.464 10.753 -4.606 1.00 1.00 O ATOM 991 C2' DA B 8 11.533 11.139 -2.405 1.00 1.00 C ATOM 992 C1' DA B 8 10.881 12.366 -1.785 1.00 1.00 C ATOM 993 N9 DA B 8 11.506 12.803 -0.516 1.00 1.00 N ATOM 994 C8 DA B 8 11.789 12.075 0.617 1.00 1.00 C ATOM 995 N7 DA B 8 12.303 12.776 1.599 1.00 1.00 N ATOM 996 C5 DA B 8 12.364 14.071 1.057 1.00 1.00 C ATOM 997 C6 DA B 8 12.780 15.348 1.519 1.00 1.00 C ATOM 998 N6 DA B 8 13.211 15.638 2.734 1.00 1.00 N ATOM 999 N1 DA B 8 12.702 16.422 0.736 1.00 1.00 N ATOM 1000 C2 DA B 8 12.213 16.272 -0.481 1.00 1.00 C ATOM 1001 N3 DA B 8 11.776 15.164 -1.054 1.00 1.00 N ATOM 1002 C4 DA B 8 11.884 14.088 -0.228 1.00 1.00 C ATOM 0 H5' DA B 8 7.377 10.684 -1.447 1.00 1.00 H new ATOM 0 H5'' DA B 8 7.483 9.820 -2.968 1.00 1.00 H new ATOM 0 H4' DA B 8 8.656 11.694 -3.391 1.00 1.00 H new ATOM 0 H3' DA B 8 10.436 9.400 -3.140 1.00 1.00 H new ATOM 0 H2' DA B 8 11.923 10.465 -1.642 1.00 1.00 H new ATOM 0 H2'' DA B 8 12.370 11.412 -3.047 1.00 1.00 H new ATOM 0 H1' DA B 8 10.979 13.211 -2.467 1.00 1.00 H new ATOM 0 H8 DA B 8 11.603 11.014 0.691 1.00 1.00 H new ATOM 0 H61 DA B 8 13.487 16.593 2.963 1.00 1.00 H new ATOM 0 H62 DA B 8 13.268 14.907 3.443 1.00 1.00 H new ATOM 0 H2 DA B 8 12.164 17.167 -1.084 1.00 1.00 H new ATOM 1014 P DT B 9 11.699 10.241 -5.544 1.00 1.00 P ATOM 1015 OP1 DT B 9 11.117 9.707 -6.802 1.00 1.00 O ATOM 1016 OP2 DT B 9 12.634 9.382 -4.768 1.00 1.00 O ATOM 1017 O5' DT B 9 12.415 11.654 -5.862 1.00 1.00 O ATOM 1018 C5' DT B 9 11.701 12.671 -6.553 1.00 1.00 C ATOM 1019 C4' DT B 9 12.492 13.972 -6.772 1.00 1.00 C ATOM 1020 O4' DT B 9 12.673 14.645 -5.533 1.00 1.00 O ATOM 1021 C3' DT B 9 13.855 13.731 -7.431 1.00 1.00 C ATOM 1022 O3' DT B 9 14.029 14.624 -8.530 1.00 1.00 O ATOM 1023 C2' DT B 9 14.810 13.943 -6.260 1.00 1.00 C ATOM 1024 C1' DT B 9 14.049 14.888 -5.331 1.00 1.00 C ATOM 1025 N1 DT B 9 14.378 14.706 -3.891 1.00 1.00 N ATOM 1026 C2 DT B 9 14.695 15.845 -3.133 1.00 1.00 C ATOM 1027 O2 DT B 9 14.653 17.000 -3.566 1.00 1.00 O ATOM 1028 N3 DT B 9 15.070 15.634 -1.825 1.00 1.00 N ATOM 1029 C4 DT B 9 15.145 14.410 -1.202 1.00 1.00 C ATOM 1030 O4 DT B 9 15.449 14.372 -0.012 1.00 1.00 O ATOM 1031 C5 DT B 9 14.812 13.262 -2.045 1.00 1.00 C ATOM 1032 C7 DT B 9 14.913 11.858 -1.482 1.00 1.00 C ATOM 1033 C6 DT B 9 14.417 13.446 -3.331 1.00 1.00 C ATOM 0 H5' DT B 9 10.793 12.902 -5.995 1.00 1.00 H new ATOM 0 H5'' DT B 9 11.389 12.283 -7.523 1.00 1.00 H new ATOM 0 H4' DT B 9 11.906 14.589 -7.453 1.00 1.00 H new ATOM 0 H3' DT B 9 14.005 12.751 -7.885 1.00 1.00 H new ATOM 0 H2' DT B 9 15.049 13.002 -5.764 1.00 1.00 H new ATOM 0 H2'' DT B 9 15.754 14.379 -6.588 1.00 1.00 H new ATOM 0 H1' DT B 9 14.336 15.911 -5.574 1.00 1.00 H new ATOM 0 H3 DT B 9 15.313 16.455 -1.271 1.00 1.00 H new ATOM 0 H71 DT B 9 15.694 11.826 -0.722 1.00 1.00 H new ATOM 0 H72 DT B 9 13.960 11.576 -1.035 1.00 1.00 H new ATOM 0 H73 DT B 9 15.159 11.161 -2.284 1.00 1.00 H new ATOM 0 H6 DT B 9 14.129 12.592 -3.925 1.00 1.00 H new ATOM 1046 P DG B 10 15.402 14.730 -9.386 1.00 1.00 P ATOM 1047 OP1 DG B 10 15.053 15.143 -10.772 1.00 1.00 O ATOM 1048 OP2 DG B 10 16.215 13.496 -9.196 1.00 1.00 O ATOM 1049 O5' DG B 10 16.162 15.967 -8.669 1.00 1.00 O ATOM 1050 C5' DG B 10 15.586 17.273 -8.676 1.00 1.00 C ATOM 1051 C4' DG B 10 16.468 18.356 -8.024 1.00 1.00 C ATOM 1052 O4' DG B 10 16.498 18.199 -6.605 1.00 1.00 O ATOM 1053 C3' DG B 10 17.915 18.354 -8.552 1.00 1.00 C ATOM 1054 O3' DG B 10 18.351 19.693 -8.787 1.00 1.00 O ATOM 1055 C2' DG B 10 18.633 17.639 -7.411 1.00 1.00 C ATOM 1056 C1' DG B 10 17.849 18.101 -6.183 1.00 1.00 C ATOM 1057 N9 DG B 10 17.963 17.161 -5.051 1.00 1.00 N ATOM 1058 C8 DG B 10 17.821 15.803 -5.092 1.00 1.00 C ATOM 1059 N7 DG B 10 17.910 15.211 -3.931 1.00 1.00 N ATOM 1060 C5 DG B 10 18.192 16.268 -3.053 1.00 1.00 C ATOM 1061 C6 DG B 10 18.442 16.289 -1.632 1.00 1.00 C ATOM 1062 O6 DG B 10 18.378 15.364 -0.820 1.00 1.00 O ATOM 1063 N1 DG B 10 18.803 17.529 -1.155 1.00 1.00 N ATOM 1064 C2 DG B 10 18.863 18.638 -1.924 1.00 1.00 C ATOM 1065 N2 DG B 10 19.242 19.730 -1.322 1.00 1.00 N ATOM 1066 N3 DG B 10 18.587 18.693 -3.227 1.00 1.00 N ATOM 1067 C4 DG B 10 18.265 17.464 -3.741 1.00 1.00 C ATOM 0 H5' DG B 10 14.629 17.238 -8.156 1.00 1.00 H new ATOM 0 H5'' DG B 10 15.379 17.561 -9.707 1.00 1.00 H new ATOM 0 H4' DG B 10 16.013 19.310 -8.291 1.00 1.00 H new ATOM 0 H3' DG B 10 18.085 17.866 -9.512 1.00 1.00 H new ATOM 0 H2' DG B 10 18.602 16.556 -7.528 1.00 1.00 H new ATOM 0 H2'' DG B 10 19.684 17.923 -7.352 1.00 1.00 H new ATOM 0 H1' DG B 10 18.244 19.050 -5.819 1.00 1.00 H new ATOM 0 H8 DG B 10 17.649 15.262 -6.011 1.00 1.00 H new ATOM 0 H1 DG B 10 19.038 17.615 -0.166 1.00 1.00 H new ATOM 0 H21 DG B 10 19.309 20.603 -1.844 1.00 1.00 H new ATOM 0 H22 DG B 10 19.472 19.711 -0.328 1.00 1.00 H new ATOM 1079 P DC B 11 19.812 20.058 -9.399 1.00 1.00 P ATOM 1080 OP1 DC B 11 19.643 21.194 -10.349 1.00 1.00 O ATOM 1081 OP2 DC B 11 20.470 18.815 -9.898 1.00 1.00 O ATOM 1082 O5' DC B 11 20.642 20.583 -8.104 1.00 1.00 O ATOM 1083 C5' DC B 11 20.250 21.776 -7.424 1.00 1.00 C ATOM 1084 C4' DC B 11 21.164 22.179 -6.252 1.00 1.00 C ATOM 1085 O4' DC B 11 21.023 21.260 -5.172 1.00 1.00 O ATOM 1086 C3' DC B 11 22.651 22.263 -6.643 1.00 1.00 C ATOM 1087 O3' DC B 11 23.242 23.446 -6.099 1.00 1.00 O ATOM 1088 C2' DC B 11 23.203 20.958 -6.067 1.00 1.00 C ATOM 1089 C1' DC B 11 22.288 20.701 -4.864 1.00 1.00 C ATOM 1090 N1 DC B 11 22.114 19.275 -4.487 1.00 1.00 N ATOM 1091 C2 DC B 11 22.234 18.883 -3.143 1.00 1.00 C ATOM 1092 O2 DC B 11 22.579 19.664 -2.257 1.00 1.00 O ATOM 1093 N3 DC B 11 21.977 17.605 -2.767 1.00 1.00 N ATOM 1094 C4 DC B 11 21.614 16.747 -3.695 1.00 1.00 C ATOM 1095 N4 DC B 11 21.315 15.552 -3.272 1.00 1.00 N ATOM 1096 C5 DC B 11 21.508 17.067 -5.076 1.00 1.00 C ATOM 1097 C6 DC B 11 21.766 18.352 -5.431 1.00 1.00 C ATOM 0 H5' DC B 11 19.235 21.647 -7.048 1.00 1.00 H new ATOM 0 H5'' DC B 11 20.221 22.595 -8.143 1.00 1.00 H new ATOM 0 H4' DC B 11 20.844 23.177 -5.951 1.00 1.00 H new ATOM 0 H3' DC B 11 22.853 22.348 -7.711 1.00 1.00 H new ATOM 0 H2' DC B 11 23.156 20.145 -6.791 1.00 1.00 H new ATOM 0 H2'' DC B 11 24.246 21.058 -5.767 1.00 1.00 H new ATOM 0 H1' DC B 11 22.766 21.161 -3.999 1.00 1.00 H new ATOM 0 H41 DC B 11 21.025 14.834 -3.936 1.00 1.00 H new ATOM 0 H42 DC B 11 21.371 15.334 -2.277 1.00 1.00 H new ATOM 0 H5 DC B 11 21.235 16.322 -5.809 1.00 1.00 H new ATOM 0 H6 DC B 11 21.695 18.646 -6.468 1.00 1.00 H new ATOM 1109 P DG B 12 24.724 23.963 -6.527 1.00 1.00 P ATOM 1110 OP1 DG B 12 24.829 25.404 -6.160 1.00 1.00 O ATOM 1111 OP2 DG B 12 24.981 23.580 -7.943 1.00 1.00 O ATOM 1112 O5' DG B 12 25.731 23.113 -5.583 1.00 1.00 O ATOM 1113 C5' DG B 12 25.822 23.371 -4.185 1.00 1.00 C ATOM 1114 C4' DG B 12 26.490 22.232 -3.396 1.00 1.00 C ATOM 1115 O4' DG B 12 25.663 21.082 -3.344 1.00 1.00 O ATOM 1116 C3' DG B 12 27.847 21.766 -3.948 1.00 1.00 C ATOM 1117 O3' DG B 12 28.944 22.447 -3.334 1.00 1.00 O ATOM 1118 C2' DG B 12 27.871 20.272 -3.615 1.00 1.00 C ATOM 1119 C1' DG B 12 26.497 19.996 -2.993 1.00 1.00 C ATOM 1120 N9 DG B 12 25.904 18.729 -3.466 1.00 1.00 N ATOM 1121 C8 DG B 12 25.596 18.380 -4.751 1.00 1.00 C ATOM 1122 N7 DG B 12 25.115 17.170 -4.884 1.00 1.00 N ATOM 1123 C5 DG B 12 25.123 16.673 -3.570 1.00 1.00 C ATOM 1124 C6 DG B 12 24.738 15.395 -3.018 1.00 1.00 C ATOM 1125 O6 DG B 12 24.284 14.394 -3.575 1.00 1.00 O ATOM 1126 N1 DG B 12 24.928 15.307 -1.657 1.00 1.00 N ATOM 1127 C2 DG B 12 25.446 16.300 -0.900 1.00 1.00 C ATOM 1128 N2 DG B 12 25.625 16.046 0.367 1.00 1.00 N ATOM 1129 N3 DG B 12 25.812 17.493 -1.353 1.00 1.00 N ATOM 1130 C4 DG B 12 25.617 17.624 -2.701 1.00 1.00 C ATOM 0 H5' DG B 12 24.821 23.539 -3.788 1.00 1.00 H new ATOM 0 H5'' DG B 12 26.386 24.291 -4.029 1.00 1.00 H new ATOM 0 H4' DG B 12 26.649 22.673 -2.412 1.00 1.00 H new ATOM 0 H3' DG B 12 27.953 21.974 -5.013 1.00 1.00 H new ATOM 0 H2' DG B 12 28.031 19.669 -4.509 1.00 1.00 H new ATOM 0 H2'' DG B 12 28.676 20.033 -2.921 1.00 1.00 H new ATOM 0 HO3' DG B 12 29.786 22.119 -3.713 1.00 1.00 H new ATOM 0 H1' DG B 12 26.603 19.896 -1.913 1.00 1.00 H new ATOM 0 H8 DG B 12 25.738 19.048 -5.588 1.00 1.00 H new ATOM 0 H1 DG B 12 24.662 14.439 -1.192 1.00 1.00 H new ATOM 0 H21 DG B 12 26.013 16.762 0.981 1.00 1.00 H new ATOM 0 H22 DG B 12 25.377 15.131 0.744 1.00 1.00 H new TER 1143 DG B 12 ATOM 1144 O5' DC C 13 23.302 7.858 3.646 1.00 1.00 O ATOM 1145 C5' DC C 13 24.651 8.004 4.107 1.00 1.00 C ATOM 1146 C4' DC C 13 25.109 9.467 4.279 1.00 1.00 C ATOM 1147 O4' DC C 13 25.169 10.132 3.017 1.00 1.00 O ATOM 1148 C3' DC C 13 24.168 10.254 5.201 1.00 1.00 C ATOM 1149 O3' DC C 13 24.915 11.031 6.139 1.00 1.00 O ATOM 1150 C2' DC C 13 23.374 11.094 4.202 1.00 1.00 C ATOM 1151 C1' DC C 13 24.406 11.325 3.095 1.00 1.00 C ATOM 1152 N1 DC C 13 23.855 11.665 1.755 1.00 1.00 N ATOM 1153 C2 DC C 13 24.397 12.729 1.022 1.00 1.00 C ATOM 1154 O2 DC C 13 25.244 13.491 1.493 1.00 1.00 O ATOM 1155 N3 DC C 13 24.007 12.961 -0.258 1.00 1.00 N ATOM 1156 C4 DC C 13 23.074 12.189 -0.777 1.00 1.00 C ATOM 1157 N4 DC C 13 22.779 12.423 -2.026 1.00 1.00 N ATOM 1158 C5 DC C 13 22.465 11.115 -0.073 1.00 1.00 C ATOM 1159 C6 DC C 13 22.889 10.883 1.191 1.00 1.00 C ATOM 0 H5' DC C 13 25.319 7.507 3.403 1.00 1.00 H new ATOM 0 H5'' DC C 13 24.754 7.489 5.062 1.00 1.00 H new ATOM 0 H4' DC C 13 26.101 9.432 4.730 1.00 1.00 H new ATOM 0 H3' DC C 13 23.520 9.643 5.830 1.00 1.00 H new ATOM 0 H2' DC C 13 22.492 10.568 3.836 1.00 1.00 H new ATOM 0 H2'' DC C 13 23.028 12.030 4.640 1.00 1.00 H new ATOM 0 HO5' DC C 13 23.087 6.906 3.560 1.00 1.00 H new ATOM 0 H1' DC C 13 24.990 12.206 3.363 1.00 1.00 H new ATOM 0 H41 DC C 13 22.066 11.865 -2.495 1.00 1.00 H new ATOM 0 H42 DC C 13 23.262 13.164 -2.534 1.00 1.00 H new ATOM 0 H5 DC C 13 21.696 10.509 -0.528 1.00 1.00 H new ATOM 0 H6 DC C 13 22.459 10.071 1.759 1.00 1.00 H new ATOM 1172 P DG C 14 24.217 11.857 7.352 1.00 1.00 P ATOM 1173 OP1 DG C 14 25.109 11.745 8.540 1.00 1.00 O ATOM 1174 OP2 DG C 14 22.802 11.414 7.495 1.00 1.00 O ATOM 1175 O5' DG C 14 24.209 13.406 6.851 1.00 1.00 O ATOM 1176 C5' DG C 14 25.405 14.187 6.826 1.00 1.00 C ATOM 1177 C4' DG C 14 25.194 15.689 6.541 1.00 1.00 C ATOM 1178 O4' DG C 14 24.966 15.925 5.152 1.00 1.00 O ATOM 1179 C3' DG C 14 24.034 16.309 7.341 1.00 1.00 C ATOM 1180 O3' DG C 14 24.423 17.592 7.835 1.00 1.00 O ATOM 1181 C2' DG C 14 22.928 16.335 6.282 1.00 1.00 C ATOM 1182 C1' DG C 14 23.698 16.544 4.982 1.00 1.00 C ATOM 1183 N9 DG C 14 23.029 15.949 3.808 1.00 1.00 N ATOM 1184 C8 DG C 14 22.427 14.724 3.724 1.00 1.00 C ATOM 1185 N7 DG C 14 21.979 14.415 2.536 1.00 1.00 N ATOM 1186 C5 DG C 14 22.276 15.557 1.778 1.00 1.00 C ATOM 1187 C6 DG C 14 22.021 15.880 0.398 1.00 1.00 C ATOM 1188 O6 DG C 14 21.519 15.186 -0.486 1.00 1.00 O ATOM 1189 N1 DG C 14 22.403 17.156 0.048 1.00 1.00 N ATOM 1190 C2 DG C 14 23.011 18.016 0.895 1.00 1.00 C ATOM 1191 N2 DG C 14 23.325 19.186 0.409 1.00 1.00 N ATOM 1192 N3 DG C 14 23.308 17.757 2.167 1.00 1.00 N ATOM 1193 C4 DG C 14 22.902 16.509 2.557 1.00 1.00 C ATOM 0 H5' DG C 14 26.073 13.778 6.067 1.00 1.00 H new ATOM 0 H5'' DG C 14 25.911 14.082 7.786 1.00 1.00 H new ATOM 0 H4' DG C 14 26.118 16.171 6.861 1.00 1.00 H new ATOM 0 H3' DG C 14 23.719 15.778 8.239 1.00 1.00 H new ATOM 0 H2' DG C 14 22.360 15.405 6.269 1.00 1.00 H new ATOM 0 H2'' DG C 14 22.216 17.140 6.463 1.00 1.00 H new ATOM 0 H1' DG C 14 23.770 17.614 4.788 1.00 1.00 H new ATOM 0 H8 DG C 14 22.329 14.064 4.573 1.00 1.00 H new ATOM 0 H1 DG C 14 22.217 17.470 -0.904 1.00 1.00 H new ATOM 0 H21 DG C 14 23.786 19.877 1.001 1.00 1.00 H new ATOM 0 H22 DG C 14 23.110 19.409 -0.563 1.00 1.00 H new ATOM 1205 P DC C 15 23.452 18.530 8.743 1.00 1.00 P ATOM 1206 OP1 DC C 15 24.313 19.491 9.490 1.00 1.00 O ATOM 1207 OP2 DC C 15 22.529 17.658 9.524 1.00 1.00 O ATOM 1208 O5' DC C 15 22.578 19.358 7.657 1.00 1.00 O ATOM 1209 C5' DC C 15 23.203 20.281 6.768 1.00 1.00 C ATOM 1210 C4' DC C 15 22.331 20.649 5.555 1.00 1.00 C ATOM 1211 O4' DC C 15 22.080 19.518 4.739 1.00 1.00 O ATOM 1212 C3' DC C 15 20.970 21.276 5.896 1.00 1.00 C ATOM 1213 O3' DC C 15 21.075 22.700 5.856 1.00 1.00 O ATOM 1214 C2' DC C 15 20.042 20.684 4.826 1.00 1.00 C ATOM 1215 C1' DC C 15 20.948 19.826 3.949 1.00 1.00 C ATOM 1216 N1 DC C 15 20.272 18.593 3.490 1.00 1.00 N ATOM 1217 C2 DC C 15 19.874 18.469 2.152 1.00 1.00 C ATOM 1218 O2 DC C 15 20.004 19.385 1.337 1.00 1.00 O ATOM 1219 N3 DC C 15 19.331 17.319 1.698 1.00 1.00 N ATOM 1220 C4 DC C 15 19.155 16.334 2.552 1.00 1.00 C ATOM 1221 N4 DC C 15 18.652 15.246 2.044 1.00 1.00 N ATOM 1222 C5 DC C 15 19.489 16.415 3.936 1.00 1.00 C ATOM 1223 C6 DC C 15 20.043 17.575 4.370 1.00 1.00 C ATOM 0 H5' DC C 15 24.142 19.855 6.415 1.00 1.00 H new ATOM 0 H5'' DC C 15 23.452 21.190 7.316 1.00 1.00 H new ATOM 0 H4' DC C 15 22.924 21.402 5.035 1.00 1.00 H new ATOM 0 H3' DC C 15 20.595 21.061 6.897 1.00 1.00 H new ATOM 0 H2' DC C 15 19.249 20.087 5.277 1.00 1.00 H new ATOM 0 H2'' DC C 15 19.558 21.469 4.245 1.00 1.00 H new ATOM 0 H1' DC C 15 21.224 20.364 3.042 1.00 1.00 H new ATOM 0 H41 DC C 15 18.484 14.435 2.640 1.00 1.00 H new ATOM 0 H42 DC C 15 18.426 15.204 1.050 1.00 1.00 H new ATOM 0 H5 DC C 15 19.309 15.590 4.609 1.00 1.00 H new ATOM 0 H6 DC C 15 20.303 17.693 5.412 1.00 1.00 H new ATOM 1235 P DA C 16 19.821 23.698 6.137 1.00 1.00 P ATOM 1236 OP1 DA C 16 20.381 25.047 6.443 1.00 1.00 O ATOM 1237 OP2 DA C 16 18.912 23.067 7.136 1.00 1.00 O ATOM 1238 O5' DA C 16 19.041 23.780 4.716 1.00 1.00 O ATOM 1239 C5' DA C 16 19.714 24.215 3.533 1.00 1.00 C ATOM 1240 C4' DA C 16 18.853 24.162 2.256 1.00 1.00 C ATOM 1241 O4' DA C 16 18.652 22.825 1.797 1.00 1.00 O ATOM 1242 C3' DA C 16 17.475 24.828 2.437 1.00 1.00 C ATOM 1243 O3' DA C 16 17.203 25.724 1.359 1.00 1.00 O ATOM 1244 C2' DA C 16 16.571 23.597 2.505 1.00 1.00 C ATOM 1245 C1' DA C 16 17.265 22.633 1.551 1.00 1.00 C ATOM 1246 N9 DA C 16 16.912 21.231 1.832 1.00 1.00 N ATOM 1247 C8 DA C 16 17.003 20.610 3.045 1.00 1.00 C ATOM 1248 N7 DA C 16 16.759 19.326 3.023 1.00 1.00 N ATOM 1249 C5 DA C 16 16.408 19.113 1.679 1.00 1.00 C ATOM 1250 C6 DA C 16 15.993 17.989 0.924 1.00 1.00 C ATOM 1251 N6 DA C 16 15.916 16.766 1.405 1.00 1.00 N ATOM 1252 N1 DA C 16 15.612 18.098 -0.351 1.00 1.00 N ATOM 1253 C2 DA C 16 15.666 19.301 -0.906 1.00 1.00 C ATOM 1254 N3 DA C 16 16.091 20.436 -0.355 1.00 1.00 N ATOM 1255 C4 DA C 16 16.452 20.275 0.952 1.00 1.00 C ATOM 0 H5' DA C 16 20.600 23.597 3.385 1.00 1.00 H new ATOM 0 H5'' DA C 16 20.060 25.238 3.681 1.00 1.00 H new ATOM 0 H4' DA C 16 19.420 24.722 1.512 1.00 1.00 H new ATOM 0 H3' DA C 16 17.357 25.471 3.309 1.00 1.00 H new ATOM 0 H2' DA C 16 16.508 23.194 3.516 1.00 1.00 H new ATOM 0 H2'' DA C 16 15.553 23.822 2.187 1.00 1.00 H new ATOM 0 H1' DA C 16 16.973 22.825 0.519 1.00 1.00 H new ATOM 0 H8 DA C 16 17.257 21.139 3.952 1.00 1.00 H new ATOM 0 H61 DA C 16 15.609 16.000 0.805 1.00 1.00 H new ATOM 0 H62 DA C 16 16.164 16.584 2.378 1.00 1.00 H new ATOM 0 H2 DA C 16 15.324 19.368 -1.928 1.00 1.00 H new ATOM 1267 P DT C 17 15.870 26.650 1.297 1.00 1.00 P ATOM 1268 OP1 DT C 17 16.160 27.816 0.416 1.00 1.00 O ATOM 1269 OP2 DT C 17 15.396 26.918 2.684 1.00 1.00 O ATOM 1270 O5' DT C 17 14.775 25.709 0.556 1.00 1.00 O ATOM 1271 C5' DT C 17 14.948 25.327 -0.806 1.00 1.00 C ATOM 1272 C4' DT C 17 13.893 24.328 -1.306 1.00 1.00 C ATOM 1273 O4' DT C 17 14.078 23.054 -0.699 1.00 1.00 O ATOM 1274 C3' DT C 17 12.442 24.787 -1.058 1.00 1.00 C ATOM 1275 O3' DT C 17 11.734 24.814 -2.295 1.00 1.00 O ATOM 1276 C2' DT C 17 11.942 23.732 -0.062 1.00 1.00 C ATOM 1277 C1' DT C 17 12.797 22.519 -0.429 1.00 1.00 C ATOM 1278 N1 DT C 17 12.895 21.483 0.635 1.00 1.00 N ATOM 1279 C2 DT C 17 12.696 20.138 0.281 1.00 1.00 C ATOM 1280 O2 DT C 17 12.407 19.739 -0.851 1.00 1.00 O ATOM 1281 N3 DT C 17 12.860 19.216 1.285 1.00 1.00 N ATOM 1282 C4 DT C 17 13.193 19.478 2.589 1.00 1.00 C ATOM 1283 O4 DT C 17 13.343 18.525 3.354 1.00 1.00 O ATOM 1284 C5 DT C 17 13.351 20.895 2.902 1.00 1.00 C ATOM 1285 C7 DT C 17 13.675 21.334 4.316 1.00 1.00 C ATOM 1286 C6 DT C 17 13.213 21.837 1.935 1.00 1.00 C ATOM 0 H5' DT C 17 15.938 24.888 -0.928 1.00 1.00 H new ATOM 0 H5'' DT C 17 14.916 26.219 -1.431 1.00 1.00 H new ATOM 0 H4' DT C 17 14.040 24.266 -2.384 1.00 1.00 H new ATOM 0 H3' DT C 17 12.318 25.795 -0.662 1.00 1.00 H new ATOM 0 H2' DT C 17 12.095 24.042 0.972 1.00 1.00 H new ATOM 0 H2'' DT C 17 10.877 23.532 -0.180 1.00 1.00 H new ATOM 0 H1' DT C 17 12.343 21.995 -1.270 1.00 1.00 H new ATOM 0 H3 DT C 17 12.720 18.237 1.036 1.00 1.00 H new ATOM 0 H71 DT C 17 14.255 22.256 4.287 1.00 1.00 H new ATOM 0 H72 DT C 17 12.749 21.505 4.865 1.00 1.00 H new ATOM 0 H73 DT C 17 14.254 20.557 4.815 1.00 1.00 H new ATOM 0 H6 DT C 17 13.353 22.879 2.183 1.00 1.00 H new ATOM 1299 P DA C 18 10.197 25.331 -2.418 1.00 1.00 P ATOM 1300 OP1 DA C 18 9.945 25.677 -3.844 1.00 1.00 O ATOM 1301 OP2 DA C 18 9.939 26.369 -1.379 1.00 1.00 O ATOM 1302 O5' DA C 18 9.336 24.011 -2.050 1.00 1.00 O ATOM 1303 C5' DA C 18 9.440 22.835 -2.843 1.00 1.00 C ATOM 1304 C4' DA C 18 8.552 21.681 -2.361 1.00 1.00 C ATOM 1305 O4' DA C 18 9.171 20.929 -1.332 1.00 1.00 O ATOM 1306 C3' DA C 18 7.156 22.098 -1.866 1.00 1.00 C ATOM 1307 O3' DA C 18 6.244 21.519 -2.792 1.00 1.00 O ATOM 1308 C2' DA C 18 7.140 21.565 -0.429 1.00 1.00 C ATOM 1309 C1' DA C 18 8.158 20.432 -0.478 1.00 1.00 C ATOM 1310 N9 DA C 18 8.796 20.051 0.798 1.00 1.00 N ATOM 1311 C8 DA C 18 9.198 20.855 1.831 1.00 1.00 C ATOM 1312 N7 DA C 18 9.752 20.216 2.833 1.00 1.00 N ATOM 1313 C5 DA C 18 9.691 18.876 2.420 1.00 1.00 C ATOM 1314 C6 DA C 18 10.046 17.623 2.986 1.00 1.00 C ATOM 1315 N6 DA C 18 10.561 17.422 4.186 1.00 1.00 N ATOM 1316 N1 DA C 18 9.884 16.491 2.307 1.00 1.00 N ATOM 1317 C2 DA C 18 9.393 16.564 1.084 1.00 1.00 C ATOM 1318 N3 DA C 18 8.981 17.642 0.432 1.00 1.00 N ATOM 1319 C4 DA C 18 9.148 18.776 1.166 1.00 1.00 C ATOM 0 H5' DA C 18 10.478 22.503 -2.850 1.00 1.00 H new ATOM 0 H5'' DA C 18 9.176 23.078 -3.872 1.00 1.00 H new ATOM 0 H4' DA C 18 8.419 21.078 -3.259 1.00 1.00 H new ATOM 0 H3' DA C 18 6.892 23.155 -1.830 1.00 1.00 H new ATOM 0 H2' DA C 18 7.424 22.333 0.290 1.00 1.00 H new ATOM 0 H2'' DA C 18 6.151 21.208 -0.141 1.00 1.00 H new ATOM 0 H1' DA C 18 7.639 19.527 -0.795 1.00 1.00 H new ATOM 0 H8 DA C 18 9.069 21.927 1.821 1.00 1.00 H new ATOM 0 H61 DA C 18 10.780 16.475 4.495 1.00 1.00 H new ATOM 0 H62 DA C 18 10.739 18.214 4.804 1.00 1.00 H new ATOM 0 H2 DA C 18 9.318 15.629 0.548 1.00 1.00 H new ATOM 1331 P DT C 19 4.660 21.636 -2.674 1.00 1.00 P ATOM 1332 OP1 DT C 19 4.104 21.328 -4.009 1.00 1.00 O ATOM 1333 OP2 DT C 19 4.263 22.879 -1.981 1.00 1.00 O ATOM 1334 O5' DT C 19 4.372 20.380 -1.779 1.00 1.00 O ATOM 1335 C5' DT C 19 4.634 19.065 -2.241 1.00 1.00 C ATOM 1336 C4' DT C 19 4.061 18.065 -1.240 1.00 1.00 C ATOM 1337 O4' DT C 19 5.034 17.883 -0.227 1.00 1.00 O ATOM 1338 C3' DT C 19 2.776 18.589 -0.554 1.00 1.00 C ATOM 1339 O3' DT C 19 1.787 17.602 -0.422 1.00 1.00 O ATOM 1340 C2' DT C 19 3.278 18.985 0.817 1.00 1.00 C ATOM 1341 C1' DT C 19 4.358 17.919 1.004 1.00 1.00 C ATOM 1342 N1 DT C 19 5.332 18.148 2.099 1.00 1.00 N ATOM 1343 C2 DT C 19 5.756 17.038 2.837 1.00 1.00 C ATOM 1344 O2 DT C 19 5.418 15.879 2.597 1.00 1.00 O ATOM 1345 N3 DT C 19 6.581 17.290 3.905 1.00 1.00 N ATOM 1346 C4 DT C 19 6.933 18.531 4.377 1.00 1.00 C ATOM 1347 O4 DT C 19 7.632 18.586 5.389 1.00 1.00 O ATOM 1348 C5 DT C 19 6.426 19.654 3.584 1.00 1.00 C ATOM 1349 C7 DT C 19 6.694 21.086 4.009 1.00 1.00 C ATOM 1350 C6 DT C 19 5.701 19.424 2.458 1.00 1.00 C ATOM 0 H5' DT C 19 5.707 18.912 -2.354 1.00 1.00 H new ATOM 0 H5'' DT C 19 4.186 18.914 -3.223 1.00 1.00 H new ATOM 0 H4' DT C 19 3.815 17.147 -1.773 1.00 1.00 H new ATOM 0 H3' DT C 19 2.307 19.390 -1.126 1.00 1.00 H new ATOM 0 H2' DT C 19 3.680 19.998 0.840 1.00 1.00 H new ATOM 0 H2'' DT C 19 2.501 18.933 1.579 1.00 1.00 H new ATOM 0 H1' DT C 19 3.872 16.989 1.297 1.00 1.00 H new ATOM 0 H3 DT C 19 6.968 16.482 4.393 1.00 1.00 H new ATOM 0 H71 DT C 19 6.740 21.725 3.127 1.00 1.00 H new ATOM 0 H72 DT C 19 5.892 21.428 4.663 1.00 1.00 H new ATOM 0 H73 DT C 19 7.643 21.136 4.543 1.00 1.00 H new ATOM 0 H6 DT C 19 5.410 20.256 1.835 1.00 1.00 H new ATOM 1363 P DA C 20 0.766 17.307 -1.629 1.00 1.00 P ATOM 1364 OP1 DA C 20 1.551 17.229 -2.887 1.00 1.00 O ATOM 1365 OP2 DA C 20 -0.349 18.287 -1.552 1.00 1.00 O ATOM 1366 O5' DA C 20 0.288 15.849 -1.177 1.00 1.00 O ATOM 1367 C5' DA C 20 -0.425 15.695 0.033 1.00 1.00 C ATOM 1368 C4' DA C 20 -0.117 14.348 0.682 1.00 1.00 C ATOM 1369 O4' DA C 20 1.169 14.408 1.309 1.00 1.00 O ATOM 1370 C3' DA C 20 -1.166 14.127 1.771 1.00 1.00 C ATOM 1371 O3' DA C 20 -1.594 12.773 1.819 1.00 1.00 O ATOM 1372 C2' DA C 20 -0.420 14.625 3.002 1.00 1.00 C ATOM 1373 C1' DA C 20 1.044 14.314 2.717 1.00 1.00 C ATOM 1374 N9 DA C 20 1.904 15.317 3.394 1.00 1.00 N ATOM 1375 C8 DA C 20 2.001 16.655 3.100 1.00 1.00 C ATOM 1376 N7 DA C 20 2.708 17.359 3.938 1.00 1.00 N ATOM 1377 C5 DA C 20 3.138 16.390 4.853 1.00 1.00 C ATOM 1378 C6 DA C 20 3.954 16.423 6.008 1.00 1.00 C ATOM 1379 N6 DA C 20 4.522 17.519 6.474 1.00 1.00 N ATOM 1380 N1 DA C 20 4.220 15.323 6.711 1.00 1.00 N ATOM 1381 C2 DA C 20 3.687 14.191 6.274 1.00 1.00 C ATOM 1382 N3 DA C 20 2.895 13.994 5.226 1.00 1.00 N ATOM 1383 C4 DA C 20 2.664 15.146 4.534 1.00 1.00 C ATOM 0 H5' DA C 20 -1.495 15.774 -0.159 1.00 1.00 H new ATOM 0 H5'' DA C 20 -0.164 16.501 0.718 1.00 1.00 H new ATOM 0 H4' DA C 20 -0.127 13.550 -0.060 1.00 1.00 H new ATOM 0 H3' DA C 20 -2.113 14.648 1.631 1.00 1.00 H new ATOM 0 H2' DA C 20 -0.576 15.693 3.155 1.00 1.00 H new ATOM 0 H2'' DA C 20 -0.764 14.120 3.905 1.00 1.00 H new ATOM 0 H1' DA C 20 1.348 13.333 3.081 1.00 1.00 H new ATOM 0 H8 DA C 20 1.525 17.093 2.235 1.00 1.00 H new ATOM 0 H61 DA C 20 5.100 17.477 7.313 1.00 1.00 H new ATOM 0 H62 DA C 20 4.383 18.409 5.995 1.00 1.00 H new ATOM 0 H2 DA C 20 3.930 13.309 6.848 1.00 1.00 H new ATOM 1395 P DT C 21 -2.909 12.346 2.647 1.00 1.00 P ATOM 1396 OP1 DT C 21 -3.394 11.047 2.117 1.00 1.00 O ATOM 1397 OP2 DT C 21 -3.840 13.508 2.622 1.00 1.00 O ATOM 1398 O5' DT C 21 -2.346 12.147 4.139 1.00 1.00 O ATOM 1399 C5' DT C 21 -1.438 11.091 4.420 1.00 1.00 C ATOM 1400 C4' DT C 21 -1.162 10.920 5.915 1.00 1.00 C ATOM 1401 O4' DT C 21 -0.265 11.919 6.371 1.00 1.00 O ATOM 1402 C3' DT C 21 -2.427 10.996 6.770 1.00 1.00 C ATOM 1403 O3' DT C 21 -2.347 9.972 7.744 1.00 1.00 O ATOM 1404 C2' DT C 21 -2.365 12.401 7.353 1.00 1.00 C ATOM 1405 C1' DT C 21 -0.857 12.632 7.441 1.00 1.00 C ATOM 1406 N1 DT C 21 -0.378 14.040 7.359 1.00 1.00 N ATOM 1407 C2 DT C 21 0.729 14.375 8.151 1.00 1.00 C ATOM 1408 O2 DT C 21 1.323 13.569 8.869 1.00 1.00 O ATOM 1409 N3 DT C 21 1.187 15.665 8.081 1.00 1.00 N ATOM 1410 C4 DT C 21 0.692 16.641 7.250 1.00 1.00 C ATOM 1411 O4 DT C 21 1.250 17.736 7.242 1.00 1.00 O ATOM 1412 C5 DT C 21 -0.439 16.232 6.419 1.00 1.00 C ATOM 1413 C7 DT C 21 -1.070 17.229 5.464 1.00 1.00 C ATOM 1414 C6 DT C 21 -0.931 14.965 6.489 1.00 1.00 C ATOM 0 H5' DT C 21 -0.498 11.281 3.902 1.00 1.00 H new ATOM 0 H5'' DT C 21 -1.839 10.159 4.022 1.00 1.00 H new ATOM 0 H4' DT C 21 -0.731 9.925 6.026 1.00 1.00 H new ATOM 0 H3' DT C 21 -3.371 10.843 6.247 1.00 1.00 H new ATOM 0 H2' DT C 21 -2.855 13.133 6.711 1.00 1.00 H new ATOM 0 H2'' DT C 21 -2.846 12.461 8.329 1.00 1.00 H new ATOM 0 H1' DT C 21 -0.573 12.298 8.439 1.00 1.00 H new ATOM 0 H3 DT C 21 1.959 15.922 8.696 1.00 1.00 H new ATOM 0 H71 DT C 21 -0.965 18.236 5.867 1.00 1.00 H new ATOM 0 H72 DT C 21 -0.571 17.172 4.496 1.00 1.00 H new ATOM 0 H73 DT C 21 -2.128 16.996 5.342 1.00 1.00 H new ATOM 0 H6 DT C 21 -1.761 14.678 5.860 1.00 1.00 H new ATOM 1427 P DG C 22 -3.579 9.568 8.672 1.00 1.00 P ATOM 1428 OP1 DG C 22 -3.376 8.141 9.015 1.00 1.00 O ATOM 1429 OP2 DG C 22 -4.860 9.960 8.036 1.00 1.00 O ATOM 1430 O5' DG C 22 -3.319 10.460 9.974 1.00 1.00 O ATOM 1431 C5' DG C 22 -2.240 10.161 10.845 1.00 1.00 C ATOM 1432 C4' DG C 22 -1.993 11.245 11.895 1.00 1.00 C ATOM 1433 O4' DG C 22 -1.351 12.371 11.303 1.00 1.00 O ATOM 1434 C3' DG C 22 -3.263 11.736 12.619 1.00 1.00 C ATOM 1435 O3' DG C 22 -3.089 11.548 14.023 1.00 1.00 O ATOM 1436 C2' DG C 22 -3.331 13.194 12.165 1.00 1.00 C ATOM 1437 C1' DG C 22 -1.855 13.509 11.968 1.00 1.00 C ATOM 1438 N9 DG C 22 -1.611 14.735 11.193 1.00 1.00 N ATOM 1439 C8 DG C 22 -2.191 15.113 10.015 1.00 1.00 C ATOM 1440 N7 DG C 22 -1.784 16.270 9.562 1.00 1.00 N ATOM 1441 C5 DG C 22 -0.877 16.705 10.541 1.00 1.00 C ATOM 1442 C6 DG C 22 -0.092 17.912 10.660 1.00 1.00 C ATOM 1443 O6 DG C 22 0.016 18.854 9.874 1.00 1.00 O ATOM 1444 N1 DG C 22 0.616 17.993 11.838 1.00 1.00 N ATOM 1445 C2 DG C 22 0.619 17.020 12.776 1.00 1.00 C ATOM 1446 N2 DG C 22 1.324 17.249 13.850 1.00 1.00 N ATOM 1447 N3 DG C 22 -0.045 15.870 12.699 1.00 1.00 N ATOM 1448 C4 DG C 22 -0.786 15.774 11.554 1.00 1.00 C ATOM 0 H5' DG C 22 -1.334 10.023 10.255 1.00 1.00 H new ATOM 0 H5'' DG C 22 -2.440 9.215 11.349 1.00 1.00 H new ATOM 0 H4' DG C 22 -1.359 10.771 12.645 1.00 1.00 H new ATOM 0 H3' DG C 22 -4.194 11.215 12.394 1.00 1.00 H new ATOM 0 H2' DG C 22 -3.904 13.313 11.245 1.00 1.00 H new ATOM 0 H2'' DG C 22 -3.793 13.837 12.914 1.00 1.00 H new ATOM 0 H1' DG C 22 -1.365 13.706 12.921 1.00 1.00 H new ATOM 0 H8 DG C 22 -2.923 14.508 9.502 1.00 1.00 H new ATOM 0 H1 DG C 22 1.168 18.833 12.012 1.00 1.00 H new ATOM 0 H21 DG C 22 1.364 16.551 14.592 1.00 1.00 H new ATOM 0 H22 DG C 22 1.835 18.126 13.947 1.00 1.00 H new ATOM 1460 P DC C 23 -4.226 11.899 15.127 1.00 1.00 P ATOM 1461 OP1 DC C 23 -4.296 10.767 16.097 1.00 1.00 O ATOM 1462 OP2 DC C 23 -5.482 12.328 14.447 1.00 1.00 O ATOM 1463 O5' DC C 23 -3.581 13.188 15.872 1.00 1.00 O ATOM 1464 C5' DC C 23 -2.358 13.071 16.596 1.00 1.00 C ATOM 1465 C4' DC C 23 -1.920 14.359 17.317 1.00 1.00 C ATOM 1466 O4' DC C 23 -1.477 15.337 16.378 1.00 1.00 O ATOM 1467 C3' DC C 23 -3.038 14.960 18.185 1.00 1.00 C ATOM 1468 O3' DC C 23 -2.532 15.331 19.468 1.00 1.00 O ATOM 1469 C2' DC C 23 -3.501 16.133 17.320 1.00 1.00 C ATOM 1470 C1' DC C 23 -2.246 16.519 16.534 1.00 1.00 C ATOM 1471 N1 DC C 23 -2.531 17.110 15.202 1.00 1.00 N ATOM 1472 C2 DC C 23 -1.954 18.334 14.830 1.00 1.00 C ATOM 1473 O2 DC C 23 -1.230 18.985 15.586 1.00 1.00 O ATOM 1474 N3 DC C 23 -2.186 18.860 13.599 1.00 1.00 N ATOM 1475 C4 DC C 23 -2.975 18.197 12.778 1.00 1.00 C ATOM 1476 N4 DC C 23 -3.125 18.726 11.598 1.00 1.00 N ATOM 1477 C5 DC C 23 -3.589 16.953 13.096 1.00 1.00 C ATOM 1478 C6 DC C 23 -3.337 16.441 14.327 1.00 1.00 C ATOM 0 H5' DC C 23 -1.569 12.769 15.907 1.00 1.00 H new ATOM 0 H5'' DC C 23 -2.461 12.274 17.332 1.00 1.00 H new ATOM 0 H4' DC C 23 -1.098 14.078 17.976 1.00 1.00 H new ATOM 0 H3' DC C 23 -3.861 14.288 18.430 1.00 1.00 H new ATOM 0 H2' DC C 23 -4.316 15.844 16.657 1.00 1.00 H new ATOM 0 H2'' DC C 23 -3.863 16.961 17.929 1.00 1.00 H new ATOM 0 H1' DC C 23 -1.717 17.293 17.090 1.00 1.00 H new ATOM 0 H41 DC C 23 -3.721 18.270 10.907 1.00 1.00 H new ATOM 0 H42 DC C 23 -2.646 19.596 11.365 1.00 1.00 H new ATOM 0 H5 DC C 23 -4.226 16.440 12.390 1.00 1.00 H new ATOM 0 H6 DC C 23 -3.777 15.498 14.616 1.00 1.00 H new ATOM 1490 P DG C 24 -3.510 15.709 20.713 1.00 1.00 P ATOM 1491 OP1 DG C 24 -2.714 15.605 21.969 1.00 1.00 O ATOM 1492 OP2 DG C 24 -4.766 14.914 20.606 1.00 1.00 O ATOM 1493 O5' DG C 24 -3.877 17.266 20.464 1.00 1.00 O ATOM 1494 C5' DG C 24 -2.905 18.287 20.666 1.00 1.00 C ATOM 1495 C4' DG C 24 -3.271 19.623 20.002 1.00 1.00 C ATOM 1496 O4' DG C 24 -3.165 19.560 18.589 1.00 1.00 O ATOM 1497 C3' DG C 24 -4.687 20.143 20.299 1.00 1.00 C ATOM 1498 O3' DG C 24 -4.733 20.980 21.456 1.00 1.00 O ATOM 1499 C2' DG C 24 -5.038 20.935 19.037 1.00 1.00 C ATOM 1500 C1' DG C 24 -3.860 20.682 18.089 1.00 1.00 C ATOM 1501 N9 DG C 24 -4.296 20.464 16.698 1.00 1.00 N ATOM 1502 C8 DG C 24 -5.109 19.474 16.222 1.00 1.00 C ATOM 1503 N7 DG C 24 -5.408 19.585 14.952 1.00 1.00 N ATOM 1504 C5 DG C 24 -4.740 20.760 14.562 1.00 1.00 C ATOM 1505 C6 DG C 24 -4.677 21.469 13.306 1.00 1.00 C ATOM 1506 O6 DG C 24 -5.199 21.203 12.223 1.00 1.00 O ATOM 1507 N1 DG C 24 -3.931 22.630 13.365 1.00 1.00 N ATOM 1508 C2 DG C 24 -3.307 23.071 14.482 1.00 1.00 C ATOM 1509 N2 DG C 24 -2.644 24.191 14.395 1.00 1.00 N ATOM 1510 N3 DG C 24 -3.326 22.454 15.656 1.00 1.00 N ATOM 1511 C4 DG C 24 -4.059 21.300 15.635 1.00 1.00 C ATOM 0 H5' DG C 24 -1.946 17.947 20.275 1.00 1.00 H new ATOM 0 H5'' DG C 24 -2.774 18.446 21.736 1.00 1.00 H new ATOM 0 H4' DG C 24 -2.547 20.308 20.443 1.00 1.00 H new ATOM 0 H3' DG C 24 -5.384 19.334 20.519 1.00 1.00 H new ATOM 0 H2' DG C 24 -5.978 20.595 18.603 1.00 1.00 H new ATOM 0 H2'' DG C 24 -5.153 21.997 19.253 1.00 1.00 H new ATOM 0 HO3' DG C 24 -5.652 21.286 21.602 1.00 1.00 H new ATOM 0 H1' DG C 24 -3.215 21.560 18.056 1.00 1.00 H new ATOM 0 H8 DG C 24 -5.474 18.668 16.841 1.00 1.00 H new ATOM 0 H1 DG C 24 -3.845 23.188 12.516 1.00 1.00 H new ATOM 0 H21 DG C 24 -2.158 24.561 15.212 1.00 1.00 H new ATOM 0 H22 DG C 24 -2.611 24.697 13.510 1.00 1.00 H new TER 1524 DG C 24