USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 657 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 84 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Set 1.2: A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 166:sc= 1.24 (180deg=0.828) USER MOD Single : A 83 LYS NZ :NH3+ 178:sc= 2.02 (180deg=1.99) USER MOD Single : A 85 TYR OH : rot -21:sc= 1.29 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= 1.78 K(o=1.8,f=-8.8!) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 THR OG1 : rot -170:sc= 0.0881 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.25 USER MOD Single : A 97 LYS NZ :NH3+ 164:sc= 1.21 (180deg=0.965) USER MOD Single : A 100 ASN : amide:sc= 0.0285 K(o=0.028,f=-1.2) USER MOD Single : A 101 HIS : no HE2:sc= 0.793 K(o=0.79,f=-2.5!) USER MOD Single : A 102 LYS NZ :NH3+ -176:sc= 1.27 (180deg=1.22) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -152:sc= 1.2 (180deg=0.548) USER MOD Single : A 108 LYS NZ :NH3+ -147:sc= 2.39 (180deg=-0.118) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot 87:sc= 1.28 USER MOD Single : A 125 HIS : no HD1:sc= -0.0608 K(o=-0.061,f=-0.61) 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= -0.305 (180deg=-0.305) 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= -0.225 (180deg=-0.225) USER MOD Single : C 21 DT C7 :methyl -30:sc= -1.08 (180deg=-1.4!) USER MOD Single : C 24 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 79 -0.986 6.643 9.559 1.00 1.00 N ATOM 2 CA ALA A 79 0.157 6.069 8.797 1.00 1.00 C ATOM 3 C ALA A 79 0.396 6.837 7.500 1.00 1.00 C ATOM 4 O ALA A 79 -0.518 7.466 6.981 1.00 1.00 O ATOM 5 CB ALA A 79 -0.116 4.584 8.508 1.00 1.00 C ATOM 0 HA ALA A 79 1.061 6.157 9.400 1.00 1.00 H new ATOM 0 HB1 ALA A 79 0.720 4.162 7.950 1.00 1.00 H new ATOM 0 HB2 ALA A 79 -0.233 4.046 9.449 1.00 1.00 H new ATOM 0 HB3 ALA A 79 -1.029 4.490 7.920 1.00 1.00 H new ATOM 11 N ARG A 80 1.616 6.776 6.954 1.00 1.00 N ATOM 12 CA ARG A 80 2.035 7.376 5.664 1.00 1.00 C ATOM 13 C ARG A 80 1.356 6.733 4.430 1.00 1.00 C ATOM 14 O ARG A 80 2.006 6.136 3.576 1.00 1.00 O ATOM 15 CB ARG A 80 3.577 7.383 5.582 1.00 1.00 C ATOM 16 CG ARG A 80 4.157 8.367 6.607 1.00 1.00 C ATOM 17 CD ARG A 80 3.903 9.834 6.225 1.00 1.00 C ATOM 18 NE ARG A 80 3.205 10.581 7.296 1.00 1.00 N ATOM 19 CZ ARG A 80 3.782 11.177 8.322 1.00 1.00 C ATOM 20 NH1 ARG A 80 5.046 11.082 8.577 1.00 1.00 N ATOM 21 NH2 ARG A 80 3.135 11.951 9.136 1.00 1.00 N ATOM 0 H ARG A 80 2.382 6.285 7.415 1.00 1.00 H new ATOM 0 HA ARG A 80 1.684 8.408 5.639 1.00 1.00 H new ATOM 0 HB2 ARG A 80 3.963 6.381 5.770 1.00 1.00 H new ATOM 0 HB3 ARG A 80 3.894 7.664 4.578 1.00 1.00 H new ATOM 0 HG2 ARG A 80 3.718 8.169 7.585 1.00 1.00 H new ATOM 0 HG3 ARG A 80 5.230 8.200 6.699 1.00 1.00 H new ATOM 0 HD2 ARG A 80 4.854 10.320 6.007 1.00 1.00 H new ATOM 0 HD3 ARG A 80 3.309 9.872 5.312 1.00 1.00 H new ATOM 0 HE ARG A 80 2.189 10.640 7.235 1.00 1.00 H new ATOM 0 HH11 ARG A 80 5.648 10.525 7.971 1.00 1.00 H new ATOM 0 HH12 ARG A 80 5.441 11.564 9.385 1.00 1.00 H new ATOM 0 HH21 ARG A 80 2.139 12.120 8.996 1.00 1.00 H new ATOM 0 HH22 ARG A 80 3.622 12.391 9.917 1.00 1.00 H new ATOM 35 N LYS A 81 0.024 6.826 4.373 1.00 1.00 N ATOM 36 CA LYS A 81 -0.882 6.374 3.320 1.00 1.00 C ATOM 37 C LYS A 81 -0.478 6.966 1.977 1.00 1.00 C ATOM 38 O LYS A 81 -0.264 8.169 1.822 1.00 1.00 O ATOM 39 CB LYS A 81 -2.314 6.800 3.685 1.00 1.00 C ATOM 40 CG LYS A 81 -2.919 5.997 4.847 1.00 1.00 C ATOM 41 CD LYS A 81 -3.944 6.824 5.639 1.00 1.00 C ATOM 42 CE LYS A 81 -4.683 5.930 6.644 1.00 1.00 C ATOM 43 NZ LYS A 81 -5.412 6.730 7.665 1.00 1.00 N ATOM 0 H LYS A 81 -0.493 7.261 5.137 1.00 1.00 H new ATOM 0 HA LYS A 81 -0.831 5.288 3.235 1.00 1.00 H new ATOM 0 HB2 LYS A 81 -2.313 7.858 3.947 1.00 1.00 H new ATOM 0 HB3 LYS A 81 -2.951 6.690 2.808 1.00 1.00 H new ATOM 0 HG2 LYS A 81 -3.399 5.099 4.457 1.00 1.00 H new ATOM 0 HG3 LYS A 81 -2.123 5.668 5.515 1.00 1.00 H new ATOM 0 HD2 LYS A 81 -3.440 7.635 6.165 1.00 1.00 H new ATOM 0 HD3 LYS A 81 -4.658 7.283 4.955 1.00 1.00 H new ATOM 0 HE2 LYS A 81 -5.388 5.291 6.112 1.00 1.00 H new ATOM 0 HE3 LYS A 81 -3.968 5.273 7.140 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -6.081 6.117 8.174 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 -4.732 7.135 8.339 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -5.934 7.498 7.197 1.00 1.00 H new ATOM 57 N VAL A 82 -0.384 6.071 1.009 1.00 1.00 N ATOM 58 CA VAL A 82 -0.146 6.387 -0.400 1.00 1.00 C ATOM 59 C VAL A 82 -1.380 7.025 -1.034 1.00 1.00 C ATOM 60 O VAL A 82 -2.495 6.512 -0.913 1.00 1.00 O ATOM 61 CB VAL A 82 0.201 5.107 -1.188 1.00 1.00 C ATOM 62 CG1 VAL A 82 0.336 5.356 -2.700 1.00 1.00 C ATOM 63 CG2 VAL A 82 1.485 4.470 -0.653 1.00 1.00 C ATOM 0 H VAL A 82 -0.473 5.070 1.182 1.00 1.00 H new ATOM 0 HA VAL A 82 0.687 7.088 -0.441 1.00 1.00 H new ATOM 0 HB VAL A 82 -0.635 4.422 -1.042 1.00 1.00 H new ATOM 0 HG11 VAL A 82 0.581 4.420 -3.202 1.00 1.00 H new ATOM 0 HG12 VAL A 82 -0.605 5.742 -3.091 1.00 1.00 H new ATOM 0 HG13 VAL A 82 1.129 6.082 -2.880 1.00 1.00 H new ATOM 0 HG21 VAL A 82 1.710 3.569 -1.224 1.00 1.00 H new ATOM 0 HG22 VAL A 82 2.309 5.176 -0.750 1.00 1.00 H new ATOM 0 HG23 VAL A 82 1.352 4.210 0.397 1.00 1.00 H new ATOM 73 N LYS A 83 -1.170 8.117 -1.765 1.00 1.00 N ATOM 74 CA LYS A 83 -2.154 8.721 -2.650 1.00 1.00 C ATOM 75 C LYS A 83 -1.711 8.401 -4.068 1.00 1.00 C ATOM 76 O LYS A 83 -0.578 8.694 -4.463 1.00 1.00 O ATOM 77 CB LYS A 83 -2.286 10.244 -2.480 1.00 1.00 C ATOM 78 CG LYS A 83 -3.468 10.617 -1.580 1.00 1.00 C ATOM 79 CD LYS A 83 -3.516 12.139 -1.388 1.00 1.00 C ATOM 80 CE LYS A 83 -4.837 12.584 -0.758 1.00 1.00 C ATOM 81 NZ LYS A 83 -4.683 13.824 0.039 1.00 1.00 N ATOM 0 H LYS A 83 -0.282 8.619 -1.755 1.00 1.00 H new ATOM 0 HA LYS A 83 -3.137 8.315 -2.411 1.00 1.00 H new ATOM 0 HB2 LYS A 83 -1.365 10.643 -2.054 1.00 1.00 H new ATOM 0 HB3 LYS A 83 -2.413 10.709 -3.458 1.00 1.00 H new ATOM 0 HG2 LYS A 83 -4.400 10.268 -2.025 1.00 1.00 H new ATOM 0 HG3 LYS A 83 -3.371 10.122 -0.614 1.00 1.00 H new ATOM 0 HD2 LYS A 83 -2.686 12.453 -0.755 1.00 1.00 H new ATOM 0 HD3 LYS A 83 -3.387 12.632 -2.351 1.00 1.00 H new ATOM 0 HE2 LYS A 83 -5.576 12.747 -1.543 1.00 1.00 H new ATOM 0 HE3 LYS A 83 -5.220 11.788 -0.119 1.00 1.00 H new ATOM 0 HZ1 LYS A 83 -5.608 14.109 0.420 1.00 1.00 H new ATOM 0 HZ2 LYS A 83 -4.023 13.652 0.824 1.00 1.00 H new ATOM 0 HZ3 LYS A 83 -4.310 14.582 -0.567 1.00 1.00 H new ATOM 95 N GLN A 84 -2.571 7.720 -4.814 1.00 1.00 N ATOM 96 CA GLN A 84 -2.384 7.579 -6.237 1.00 1.00 C ATOM 97 C GLN A 84 -2.989 8.854 -6.814 1.00 1.00 C ATOM 98 O GLN A 84 -4.013 9.349 -6.339 1.00 1.00 O ATOM 99 CB GLN A 84 -3.033 6.295 -6.785 1.00 1.00 C ATOM 100 CG GLN A 84 -3.713 6.428 -8.151 1.00 1.00 C ATOM 101 CD GLN A 84 -4.225 5.079 -8.652 1.00 1.00 C ATOM 102 OE1 GLN A 84 -5.404 4.765 -8.581 1.00 1.00 O ATOM 103 NE2 GLN A 84 -3.360 4.216 -9.148 1.00 1.00 N ATOM 0 H GLN A 84 -3.404 7.259 -4.449 1.00 1.00 H new ATOM 0 HA GLN A 84 -1.336 7.468 -6.516 1.00 1.00 H new ATOM 0 HB2 GLN A 84 -2.267 5.523 -6.854 1.00 1.00 H new ATOM 0 HB3 GLN A 84 -3.772 5.947 -6.064 1.00 1.00 H new ATOM 0 HG2 GLN A 84 -4.544 7.130 -8.079 1.00 1.00 H new ATOM 0 HG3 GLN A 84 -3.008 6.842 -8.872 1.00 1.00 H new ATOM 0 HE21 GLN A 84 -2.373 4.464 -9.214 1.00 1.00 H new ATOM 0 HE22 GLN A 84 -3.678 3.301 -9.466 1.00 1.00 H new ATOM 112 N TYR A 85 -2.371 9.350 -7.868 1.00 1.00 N ATOM 113 CA TYR A 85 -2.838 10.506 -8.617 1.00 1.00 C ATOM 114 C TYR A 85 -2.916 10.108 -10.088 1.00 1.00 C ATOM 115 O TYR A 85 -2.017 9.434 -10.581 1.00 1.00 O ATOM 116 CB TYR A 85 -1.858 11.667 -8.395 1.00 1.00 C ATOM 117 CG TYR A 85 -1.705 12.141 -6.967 1.00 1.00 C ATOM 118 CD1 TYR A 85 -2.678 12.994 -6.425 1.00 1.00 C ATOM 119 CD2 TYR A 85 -0.575 11.782 -6.202 1.00 1.00 C ATOM 120 CE1 TYR A 85 -2.513 13.526 -5.138 1.00 1.00 C ATOM 121 CE2 TYR A 85 -0.403 12.318 -4.910 1.00 1.00 C ATOM 122 CZ TYR A 85 -1.364 13.213 -4.383 1.00 1.00 C ATOM 123 OH TYR A 85 -1.205 13.767 -3.156 1.00 1.00 O ATOM 0 H TYR A 85 -1.508 8.952 -8.239 1.00 1.00 H new ATOM 0 HA TYR A 85 -3.824 10.831 -8.286 1.00 1.00 H new ATOM 0 HB2 TYR A 85 -0.878 11.365 -8.764 1.00 1.00 H new ATOM 0 HB3 TYR A 85 -2.181 12.511 -9.004 1.00 1.00 H new ATOM 0 HD1 TYR A 85 -3.557 13.242 -7.001 1.00 1.00 H new ATOM 0 HD2 TYR A 85 0.157 11.098 -6.606 1.00 1.00 H new ATOM 0 HE1 TYR A 85 -3.268 14.177 -4.724 1.00 1.00 H new ATOM 0 HE2 TYR A 85 0.462 12.046 -4.323 1.00 1.00 H new ATOM 0 HH TYR A 85 -1.756 14.575 -3.088 1.00 1.00 H new ATOM 133 N LYS A 86 -3.959 10.537 -10.800 1.00 1.00 N ATOM 134 CA LYS A 86 -4.146 10.296 -12.238 1.00 1.00 C ATOM 135 C LYS A 86 -4.513 11.609 -12.925 1.00 1.00 C ATOM 136 O LYS A 86 -5.285 12.383 -12.373 1.00 1.00 O ATOM 137 CB LYS A 86 -5.227 9.215 -12.419 1.00 1.00 C ATOM 138 CG LYS A 86 -5.600 8.977 -13.892 1.00 1.00 C ATOM 139 CD LYS A 86 -6.430 7.697 -14.039 1.00 1.00 C ATOM 140 CE LYS A 86 -6.713 7.420 -15.523 1.00 1.00 C ATOM 141 NZ LYS A 86 -7.550 6.199 -15.710 1.00 1.00 N ATOM 0 H LYS A 86 -4.719 11.076 -10.385 1.00 1.00 H new ATOM 0 HA LYS A 86 -3.228 9.934 -12.700 1.00 1.00 H new ATOM 0 HB2 LYS A 86 -4.874 8.280 -11.984 1.00 1.00 H new ATOM 0 HB3 LYS A 86 -6.120 9.506 -11.867 1.00 1.00 H new ATOM 0 HG2 LYS A 86 -6.165 9.828 -14.272 1.00 1.00 H new ATOM 0 HG3 LYS A 86 -4.695 8.901 -14.494 1.00 1.00 H new ATOM 0 HD2 LYS A 86 -5.895 6.855 -13.599 1.00 1.00 H new ATOM 0 HD3 LYS A 86 -7.369 7.798 -13.494 1.00 1.00 H new ATOM 0 HE2 LYS A 86 -7.220 8.279 -15.963 1.00 1.00 H new ATOM 0 HE3 LYS A 86 -5.770 7.299 -16.056 1.00 1.00 H new ATOM 0 HZ1 LYS A 86 -7.719 6.046 -16.725 1.00 1.00 H new ATOM 0 HZ2 LYS A 86 -7.055 5.375 -15.313 1.00 1.00 H new ATOM 0 HZ3 LYS A 86 -8.460 6.324 -15.223 1.00 1.00 H new ATOM 155 N ASN A 87 -3.963 11.855 -14.110 1.00 1.00 N ATOM 156 CA ASN A 87 -4.132 13.127 -14.818 1.00 1.00 C ATOM 157 C ASN A 87 -5.100 13.008 -16.016 1.00 1.00 C ATOM 158 O ASN A 87 -4.733 12.409 -17.032 1.00 1.00 O ATOM 159 CB ASN A 87 -2.737 13.611 -15.224 1.00 1.00 C ATOM 160 CG ASN A 87 -2.731 15.000 -15.826 1.00 1.00 C ATOM 161 OD1 ASN A 87 -3.691 15.463 -16.418 1.00 1.00 O ATOM 162 ND2 ASN A 87 -1.652 15.720 -15.667 1.00 1.00 N ATOM 0 H ASN A 87 -3.386 11.179 -14.610 1.00 1.00 H new ATOM 0 HA ASN A 87 -4.600 13.864 -14.165 1.00 1.00 H new ATOM 0 HB2 ASN A 87 -2.088 13.600 -14.348 1.00 1.00 H new ATOM 0 HB3 ASN A 87 -2.313 12.910 -15.943 1.00 1.00 H new ATOM 0 HD21 ASN A 87 -1.613 16.669 -16.038 1.00 1.00 H new ATOM 0 HD22 ASN A 87 -0.849 15.333 -15.172 1.00 1.00 H new ATOM 169 N PRO A 88 -6.308 13.612 -15.955 1.00 1.00 N ATOM 170 CA PRO A 88 -7.275 13.649 -17.060 1.00 1.00 C ATOM 171 C PRO A 88 -6.733 14.167 -18.406 1.00 1.00 C ATOM 172 O PRO A 88 -7.239 13.783 -19.463 1.00 1.00 O ATOM 173 CB PRO A 88 -8.414 14.555 -16.568 1.00 1.00 C ATOM 174 CG PRO A 88 -8.360 14.426 -15.050 1.00 1.00 C ATOM 175 CD PRO A 88 -6.867 14.273 -14.783 1.00 1.00 C ATOM 0 HA PRO A 88 -7.580 12.627 -17.286 1.00 1.00 H new ATOM 0 HB2 PRO A 88 -8.268 15.587 -16.886 1.00 1.00 H new ATOM 0 HB3 PRO A 88 -9.378 14.233 -16.962 1.00 1.00 H new ATOM 0 HG2 PRO A 88 -8.773 15.304 -14.553 1.00 1.00 H new ATOM 0 HG3 PRO A 88 -8.926 13.564 -14.696 1.00 1.00 H new ATOM 0 HD2 PRO A 88 -6.399 15.244 -14.624 1.00 1.00 H new ATOM 0 HD3 PRO A 88 -6.691 13.683 -13.883 1.00 1.00 H new ATOM 183 N HIS A 89 -5.711 15.033 -18.387 1.00 1.00 N ATOM 184 CA HIS A 89 -5.162 15.711 -19.574 1.00 1.00 C ATOM 185 C HIS A 89 -4.071 14.913 -20.307 1.00 1.00 C ATOM 186 O HIS A 89 -3.789 15.210 -21.470 1.00 1.00 O ATOM 187 CB HIS A 89 -4.640 17.100 -19.162 1.00 1.00 C ATOM 188 CG HIS A 89 -5.674 17.935 -18.446 1.00 1.00 C ATOM 189 ND1 HIS A 89 -6.718 18.623 -19.040 1.00 1.00 N ATOM 190 CD2 HIS A 89 -5.767 18.122 -17.093 1.00 1.00 C ATOM 191 CE1 HIS A 89 -7.429 19.225 -18.064 1.00 1.00 C ATOM 192 NE2 HIS A 89 -6.868 18.934 -16.873 1.00 1.00 N ATOM 0 H HIS A 89 -5.229 15.289 -17.525 1.00 1.00 H new ATOM 0 HA HIS A 89 -5.976 15.804 -20.293 1.00 1.00 H new ATOM 0 HB2 HIS A 89 -3.771 16.977 -18.516 1.00 1.00 H new ATOM 0 HB3 HIS A 89 -4.304 17.633 -20.051 1.00 1.00 H new ATOM 0 HD2 HIS A 89 -5.108 17.714 -16.341 1.00 1.00 H new ATOM 0 HE1 HIS A 89 -8.305 19.840 -18.213 1.00 1.00 H new ATOM 0 HE2 HIS A 89 -7.198 19.257 -15.964 1.00 1.00 H new ATOM 201 N THR A 90 -3.474 13.902 -19.662 1.00 1.00 N ATOM 202 CA THR A 90 -2.329 13.132 -20.200 1.00 1.00 C ATOM 203 C THR A 90 -2.507 11.612 -20.135 1.00 1.00 C ATOM 204 O THR A 90 -1.852 10.885 -20.886 1.00 1.00 O ATOM 205 CB THR A 90 -1.035 13.477 -19.449 1.00 1.00 C ATOM 206 OG1 THR A 90 -1.142 13.005 -18.127 1.00 1.00 O ATOM 207 CG2 THR A 90 -0.769 14.974 -19.338 1.00 1.00 C ATOM 0 H THR A 90 -3.772 13.586 -18.739 1.00 1.00 H new ATOM 0 HA THR A 90 -2.274 13.422 -21.249 1.00 1.00 H new ATOM 0 HB THR A 90 -0.226 13.018 -20.017 1.00 1.00 H new ATOM 0 HG1 THR A 90 -0.397 13.353 -17.594 1.00 1.00 H new ATOM 0 HG21 THR A 90 0.162 15.139 -18.795 1.00 1.00 H new ATOM 0 HG22 THR A 90 -0.688 15.404 -20.336 1.00 1.00 H new ATOM 0 HG23 THR A 90 -1.590 15.451 -18.803 1.00 1.00 H new ATOM 215 N GLY A 91 -3.383 11.114 -19.252 1.00 1.00 N ATOM 216 CA GLY A 91 -3.552 9.685 -18.967 1.00 1.00 C ATOM 217 C GLY A 91 -2.420 9.069 -18.129 1.00 1.00 C ATOM 218 O GLY A 91 -2.380 7.846 -17.978 1.00 1.00 O ATOM 0 H GLY A 91 -4.007 11.707 -18.705 1.00 1.00 H new ATOM 0 HA2 GLY A 91 -4.497 9.540 -18.443 1.00 1.00 H new ATOM 0 HA3 GLY A 91 -3.625 9.144 -19.911 1.00 1.00 H new ATOM 222 N GLU A 92 -1.498 9.876 -17.587 1.00 1.00 N ATOM 223 CA GLU A 92 -0.470 9.431 -16.659 1.00 1.00 C ATOM 224 C GLU A 92 -1.046 9.257 -15.259 1.00 1.00 C ATOM 225 O GLU A 92 -2.029 9.882 -14.854 1.00 1.00 O ATOM 226 CB GLU A 92 0.699 10.424 -16.594 1.00 1.00 C ATOM 227 CG GLU A 92 1.666 10.267 -17.766 1.00 1.00 C ATOM 228 CD GLU A 92 2.674 9.121 -17.537 1.00 1.00 C ATOM 229 OE1 GLU A 92 2.277 7.930 -17.582 1.00 1.00 O ATOM 230 OE2 GLU A 92 3.879 9.398 -17.314 1.00 1.00 O ATOM 0 H GLU A 92 -1.452 10.874 -17.790 1.00 1.00 H new ATOM 0 HA GLU A 92 -0.101 8.474 -17.028 1.00 1.00 H new ATOM 0 HB2 GLU A 92 0.307 11.441 -16.584 1.00 1.00 H new ATOM 0 HB3 GLU A 92 1.241 10.282 -15.659 1.00 1.00 H new ATOM 0 HG2 GLU A 92 1.101 10.076 -18.678 1.00 1.00 H new ATOM 0 HG3 GLU A 92 2.207 11.201 -17.916 1.00 1.00 H new ATOM 237 N VAL A 93 -0.356 8.421 -14.502 1.00 1.00 N ATOM 238 CA VAL A 93 -0.638 8.056 -13.116 1.00 1.00 C ATOM 239 C VAL A 93 0.666 8.050 -12.306 1.00 1.00 C ATOM 240 O VAL A 93 1.762 7.853 -12.835 1.00 1.00 O ATOM 241 CB VAL A 93 -1.306 6.672 -13.061 1.00 1.00 C ATOM 242 CG1 VAL A 93 -1.828 6.265 -11.665 1.00 1.00 C ATOM 243 CG2 VAL A 93 -2.494 6.585 -14.033 1.00 1.00 C ATOM 0 H VAL A 93 0.472 7.945 -14.859 1.00 1.00 H new ATOM 0 HA VAL A 93 -1.319 8.789 -12.684 1.00 1.00 H new ATOM 0 HB VAL A 93 -0.506 5.986 -13.340 1.00 1.00 H new ATOM 0 HG11 VAL A 93 -2.283 5.276 -11.721 1.00 1.00 H new ATOM 0 HG12 VAL A 93 -0.998 6.243 -10.958 1.00 1.00 H new ATOM 0 HG13 VAL A 93 -2.572 6.988 -11.330 1.00 1.00 H new ATOM 0 HG21 VAL A 93 -2.944 5.594 -13.970 1.00 1.00 H new ATOM 0 HG22 VAL A 93 -3.236 7.338 -13.769 1.00 1.00 H new ATOM 0 HG23 VAL A 93 -2.145 6.761 -15.051 1.00 1.00 H new ATOM 253 N ILE A 94 0.521 8.250 -11.004 1.00 1.00 N ATOM 254 CA ILE A 94 1.566 8.257 -9.973 1.00 1.00 C ATOM 255 C ILE A 94 1.010 7.665 -8.676 1.00 1.00 C ATOM 256 O ILE A 94 -0.199 7.543 -8.494 1.00 1.00 O ATOM 257 CB ILE A 94 2.100 9.683 -9.648 1.00 1.00 C ATOM 258 CG1 ILE A 94 1.527 10.832 -10.504 1.00 1.00 C ATOM 259 CG2 ILE A 94 3.638 9.695 -9.693 1.00 1.00 C ATOM 260 CD1 ILE A 94 1.879 12.208 -9.931 1.00 1.00 C ATOM 0 H ILE A 94 -0.400 8.426 -10.603 1.00 1.00 H new ATOM 0 HA ILE A 94 2.391 7.666 -10.372 1.00 1.00 H new ATOM 0 HB ILE A 94 1.738 9.891 -8.641 1.00 1.00 H new ATOM 0 HG12 ILE A 94 1.913 10.754 -11.520 1.00 1.00 H new ATOM 0 HG13 ILE A 94 0.443 10.732 -10.566 1.00 1.00 H new ATOM 0 HG21 ILE A 94 4.001 10.697 -9.464 1.00 1.00 H new ATOM 0 HG22 ILE A 94 4.029 8.991 -8.958 1.00 1.00 H new ATOM 0 HG23 ILE A 94 3.975 9.405 -10.688 1.00 1.00 H new ATOM 0 HD11 ILE A 94 1.455 12.986 -10.566 1.00 1.00 H new ATOM 0 HD12 ILE A 94 1.470 12.298 -8.925 1.00 1.00 H new ATOM 0 HD13 ILE A 94 2.963 12.320 -9.894 1.00 1.00 H new ATOM 272 N GLU A 95 1.912 7.400 -7.740 1.00 1.00 N ATOM 273 CA GLU A 95 1.674 6.954 -6.367 1.00 1.00 C ATOM 274 C GLU A 95 2.765 7.525 -5.453 1.00 1.00 C ATOM 275 O GLU A 95 3.955 7.283 -5.674 1.00 1.00 O ATOM 276 CB GLU A 95 1.747 5.426 -6.299 1.00 1.00 C ATOM 277 CG GLU A 95 0.449 4.752 -6.735 1.00 1.00 C ATOM 278 CD GLU A 95 0.616 3.219 -6.815 1.00 1.00 C ATOM 279 OE1 GLU A 95 0.909 2.574 -5.779 1.00 1.00 O ATOM 280 OE2 GLU A 95 0.450 2.649 -7.923 1.00 1.00 O ATOM 0 H GLU A 95 2.909 7.498 -7.933 1.00 1.00 H new ATOM 0 HA GLU A 95 0.689 7.297 -6.049 1.00 1.00 H new ATOM 0 HB2 GLU A 95 2.563 5.077 -6.932 1.00 1.00 H new ATOM 0 HB3 GLU A 95 1.984 5.123 -5.279 1.00 1.00 H new ATOM 0 HG2 GLU A 95 -0.346 4.998 -6.031 1.00 1.00 H new ATOM 0 HG3 GLU A 95 0.144 5.139 -7.707 1.00 1.00 H new ATOM 287 N THR A 96 2.374 8.291 -4.434 1.00 1.00 N ATOM 288 CA THR A 96 3.311 8.925 -3.480 1.00 1.00 C ATOM 289 C THR A 96 2.660 9.023 -2.096 1.00 1.00 C ATOM 290 O THR A 96 1.433 9.063 -1.986 1.00 1.00 O ATOM 291 CB THR A 96 3.828 10.312 -3.969 1.00 1.00 C ATOM 292 OG1 THR A 96 3.305 11.372 -3.191 1.00 1.00 O ATOM 293 CG2 THR A 96 3.510 10.675 -5.430 1.00 1.00 C ATOM 0 H THR A 96 1.394 8.496 -4.238 1.00 1.00 H new ATOM 0 HA THR A 96 4.193 8.287 -3.413 1.00 1.00 H new ATOM 0 HB THR A 96 4.907 10.199 -3.867 1.00 1.00 H new ATOM 0 HG1 THR A 96 3.652 12.225 -3.525 1.00 1.00 H new ATOM 0 HG21 THR A 96 3.918 11.660 -5.657 1.00 1.00 H new ATOM 0 HG22 THR A 96 3.957 9.935 -6.094 1.00 1.00 H new ATOM 0 HG23 THR A 96 2.430 10.687 -5.575 1.00 1.00 H new ATOM 301 N LYS A 97 3.451 9.048 -1.022 1.00 1.00 N ATOM 302 CA LYS A 97 2.973 9.220 0.367 1.00 1.00 C ATOM 303 C LYS A 97 3.048 10.695 0.825 1.00 1.00 C ATOM 304 O LYS A 97 2.836 10.990 2.003 1.00 1.00 O ATOM 305 CB LYS A 97 3.795 8.320 1.305 1.00 1.00 C ATOM 306 CG LYS A 97 3.869 6.840 0.877 1.00 1.00 C ATOM 307 CD LYS A 97 4.924 6.059 1.684 1.00 1.00 C ATOM 308 CE LYS A 97 5.269 4.692 1.067 1.00 1.00 C ATOM 309 NZ LYS A 97 6.019 4.822 -0.217 1.00 1.00 N ATOM 0 H LYS A 97 4.464 8.948 -1.086 1.00 1.00 H new ATOM 0 HA LYS A 97 1.924 8.928 0.405 1.00 1.00 H new ATOM 0 HB2 LYS A 97 4.808 8.716 1.371 1.00 1.00 H new ATOM 0 HB3 LYS A 97 3.366 8.374 2.306 1.00 1.00 H new ATOM 0 HG2 LYS A 97 2.892 6.375 1.011 1.00 1.00 H new ATOM 0 HG3 LYS A 97 4.108 6.781 -0.185 1.00 1.00 H new ATOM 0 HD2 LYS A 97 5.832 6.657 1.757 1.00 1.00 H new ATOM 0 HD3 LYS A 97 4.558 5.910 2.700 1.00 1.00 H new ATOM 0 HE2 LYS A 97 5.864 4.116 1.776 1.00 1.00 H new ATOM 0 HE3 LYS A 97 4.350 4.132 0.893 1.00 1.00 H new ATOM 0 HZ1 LYS A 97 6.461 3.911 -0.455 1.00 1.00 H new ATOM 0 HZ2 LYS A 97 5.363 5.097 -0.976 1.00 1.00 H new ATOM 0 HZ3 LYS A 97 6.756 5.548 -0.116 1.00 1.00 H new ATOM 323 N GLY A 98 3.393 11.596 -0.099 1.00 1.00 N ATOM 324 CA GLY A 98 3.652 13.016 0.107 1.00 1.00 C ATOM 325 C GLY A 98 4.955 13.500 -0.539 1.00 1.00 C ATOM 326 O GLY A 98 5.572 12.806 -1.354 1.00 1.00 O ATOM 0 H GLY A 98 3.505 11.330 -1.077 1.00 1.00 H new ATOM 0 HA2 GLY A 98 2.819 13.591 -0.298 1.00 1.00 H new ATOM 0 HA3 GLY A 98 3.689 13.219 1.177 1.00 1.00 H new ATOM 330 N GLY A 99 5.368 14.702 -0.142 1.00 1.00 N ATOM 331 CA GLY A 99 6.670 15.283 -0.449 1.00 1.00 C ATOM 332 C GLY A 99 6.889 15.808 -1.878 1.00 1.00 C ATOM 333 O GLY A 99 6.103 15.608 -2.807 1.00 1.00 O ATOM 0 H GLY A 99 4.783 15.319 0.422 1.00 1.00 H new ATOM 0 HA2 GLY A 99 6.843 16.107 0.243 1.00 1.00 H new ATOM 0 HA3 GLY A 99 7.432 14.530 -0.246 1.00 1.00 H new ATOM 337 N ASN A 100 8.022 16.495 -2.030 1.00 1.00 N ATOM 338 CA ASN A 100 8.641 16.943 -3.276 1.00 1.00 C ATOM 339 C ASN A 100 8.904 15.715 -4.185 1.00 1.00 C ATOM 340 O ASN A 100 9.851 14.957 -3.968 1.00 1.00 O ATOM 341 CB ASN A 100 9.904 17.738 -2.863 1.00 1.00 C ATOM 342 CG ASN A 100 10.991 17.933 -3.909 1.00 1.00 C ATOM 343 OD1 ASN A 100 10.808 17.765 -5.108 1.00 1.00 O ATOM 344 ND2 ASN A 100 12.164 18.312 -3.447 1.00 1.00 N ATOM 0 H ASN A 100 8.574 16.774 -1.219 1.00 1.00 H new ATOM 0 HA ASN A 100 8.010 17.600 -3.874 1.00 1.00 H new ATOM 0 HB2 ASN A 100 9.584 18.723 -2.524 1.00 1.00 H new ATOM 0 HB3 ASN A 100 10.351 17.236 -2.005 1.00 1.00 H new ATOM 0 HD21 ASN A 100 12.939 18.471 -4.091 1.00 1.00 H new ATOM 0 HD22 ASN A 100 12.298 18.447 -2.445 1.00 1.00 H new ATOM 351 N HIS A 101 8.023 15.498 -5.174 1.00 1.00 N ATOM 352 CA HIS A 101 8.104 14.420 -6.177 1.00 1.00 C ATOM 353 C HIS A 101 7.914 14.997 -7.592 1.00 1.00 C ATOM 354 O HIS A 101 6.976 15.762 -7.812 1.00 1.00 O ATOM 355 CB HIS A 101 7.083 13.323 -5.807 1.00 1.00 C ATOM 356 CG HIS A 101 7.278 12.032 -6.571 1.00 1.00 C ATOM 357 ND1 HIS A 101 8.261 11.081 -6.339 1.00 1.00 N ATOM 358 CD2 HIS A 101 6.515 11.589 -7.618 1.00 1.00 C ATOM 359 CE1 HIS A 101 8.097 10.086 -7.233 1.00 1.00 C ATOM 360 NE2 HIS A 101 7.044 10.373 -8.024 1.00 1.00 N ATOM 0 H HIS A 101 7.203 16.090 -5.304 1.00 1.00 H new ATOM 0 HA HIS A 101 9.090 13.956 -6.178 1.00 1.00 H new ATOM 0 HB2 HIS A 101 7.154 13.118 -4.739 1.00 1.00 H new ATOM 0 HB3 HIS A 101 6.076 13.697 -5.993 1.00 1.00 H new ATOM 0 HD1 HIS A 101 8.981 11.127 -5.618 1.00 1.00 H new ATOM 0 HD2 HIS A 101 5.661 12.092 -8.047 1.00 1.00 H new ATOM 0 HE1 HIS A 101 8.711 9.200 -7.304 1.00 1.00 H new ATOM 369 N LYS A 102 8.769 14.619 -8.554 1.00 1.00 N ATOM 370 CA LYS A 102 8.869 15.250 -9.893 1.00 1.00 C ATOM 371 C LYS A 102 7.548 15.411 -10.658 1.00 1.00 C ATOM 372 O LYS A 102 7.078 16.534 -10.795 1.00 1.00 O ATOM 373 CB LYS A 102 9.971 14.564 -10.711 1.00 1.00 C ATOM 374 CG LYS A 102 10.351 15.470 -11.894 1.00 1.00 C ATOM 375 CD LYS A 102 11.582 14.964 -12.638 1.00 1.00 C ATOM 376 CE LYS A 102 12.858 15.087 -11.788 1.00 1.00 C ATOM 377 NZ LYS A 102 14.068 14.644 -12.531 1.00 1.00 N ATOM 0 H LYS A 102 9.427 13.850 -8.427 1.00 1.00 H new ATOM 0 HA LYS A 102 9.153 16.288 -9.719 1.00 1.00 H new ATOM 0 HB2 LYS A 102 10.843 14.376 -10.085 1.00 1.00 H new ATOM 0 HB3 LYS A 102 9.624 13.596 -11.074 1.00 1.00 H new ATOM 0 HG2 LYS A 102 9.511 15.532 -12.586 1.00 1.00 H new ATOM 0 HG3 LYS A 102 10.539 16.480 -11.530 1.00 1.00 H new ATOM 0 HD2 LYS A 102 11.433 13.922 -12.920 1.00 1.00 H new ATOM 0 HD3 LYS A 102 11.705 15.529 -13.562 1.00 1.00 H new ATOM 0 HE2 LYS A 102 12.985 16.123 -11.473 1.00 1.00 H new ATOM 0 HE3 LYS A 102 12.750 14.489 -10.883 1.00 1.00 H new ATOM 0 HZ1 LYS A 102 14.895 14.679 -11.901 1.00 1.00 H new ATOM 0 HZ2 LYS A 102 13.931 13.670 -12.868 1.00 1.00 H new ATOM 0 HZ3 LYS A 102 14.226 15.273 -13.344 1.00 1.00 H new ATOM 391 N THR A 103 6.905 14.322 -11.086 1.00 1.00 N ATOM 392 CA THR A 103 5.672 14.394 -11.912 1.00 1.00 C ATOM 393 C THR A 103 4.545 15.138 -11.197 1.00 1.00 C ATOM 394 O THR A 103 3.875 15.988 -11.781 1.00 1.00 O ATOM 395 CB THR A 103 5.189 12.995 -12.335 1.00 1.00 C ATOM 396 OG1 THR A 103 6.248 12.310 -12.972 1.00 1.00 O ATOM 397 CG2 THR A 103 4.013 13.099 -13.302 1.00 1.00 C ATOM 0 H THR A 103 7.210 13.371 -10.879 1.00 1.00 H new ATOM 0 HA THR A 103 5.937 14.956 -12.807 1.00 1.00 H new ATOM 0 HB THR A 103 4.867 12.454 -11.445 1.00 1.00 H new ATOM 0 HG1 THR A 103 5.945 11.418 -13.242 1.00 1.00 H new ATOM 0 HG21 THR A 103 3.688 12.099 -13.588 1.00 1.00 H new ATOM 0 HG22 THR A 103 3.189 13.624 -12.818 1.00 1.00 H new ATOM 0 HG23 THR A 103 4.321 13.649 -14.192 1.00 1.00 H new ATOM 405 N LEU A 104 4.396 14.882 -9.892 1.00 1.00 N ATOM 406 CA LEU A 104 3.415 15.538 -9.026 1.00 1.00 C ATOM 407 C LEU A 104 3.606 17.067 -9.005 1.00 1.00 C ATOM 408 O LEU A 104 2.632 17.815 -9.071 1.00 1.00 O ATOM 409 CB LEU A 104 3.524 14.891 -7.626 1.00 1.00 C ATOM 410 CG LEU A 104 2.503 15.369 -6.579 1.00 1.00 C ATOM 411 CD1 LEU A 104 1.068 15.092 -7.030 1.00 1.00 C ATOM 412 CD2 LEU A 104 2.734 14.638 -5.257 1.00 1.00 C ATOM 0 H LEU A 104 4.969 14.197 -9.399 1.00 1.00 H new ATOM 0 HA LEU A 104 2.405 15.391 -9.409 1.00 1.00 H new ATOM 0 HB2 LEU A 104 3.421 13.812 -7.738 1.00 1.00 H new ATOM 0 HB3 LEU A 104 4.526 15.077 -7.239 1.00 1.00 H new ATOM 0 HG LEU A 104 2.640 16.443 -6.457 1.00 1.00 H new ATOM 0 HD11 LEU A 104 0.373 15.442 -6.267 1.00 1.00 H new ATOM 0 HD12 LEU A 104 0.873 15.616 -7.966 1.00 1.00 H new ATOM 0 HD13 LEU A 104 0.934 14.021 -7.179 1.00 1.00 H new ATOM 0 HD21 LEU A 104 2.008 14.981 -4.520 1.00 1.00 H new ATOM 0 HD22 LEU A 104 2.617 13.565 -5.409 1.00 1.00 H new ATOM 0 HD23 LEU A 104 3.742 14.846 -4.898 1.00 1.00 H new ATOM 424 N LYS A 105 4.860 17.548 -8.998 1.00 1.00 N ATOM 425 CA LYS A 105 5.188 18.980 -9.076 1.00 1.00 C ATOM 426 C LYS A 105 4.841 19.581 -10.438 1.00 1.00 C ATOM 427 O LYS A 105 4.366 20.713 -10.486 1.00 1.00 O ATOM 428 CB LYS A 105 6.671 19.196 -8.701 1.00 1.00 C ATOM 429 CG LYS A 105 7.165 20.654 -8.786 1.00 1.00 C ATOM 430 CD LYS A 105 6.447 21.649 -7.859 1.00 1.00 C ATOM 431 CE LYS A 105 6.843 21.456 -6.389 1.00 1.00 C ATOM 432 NZ LYS A 105 6.137 22.423 -5.502 1.00 1.00 N ATOM 0 H LYS A 105 5.682 16.947 -8.937 1.00 1.00 H new ATOM 0 HA LYS A 105 4.570 19.514 -8.354 1.00 1.00 H new ATOM 0 HB2 LYS A 105 6.828 18.835 -7.685 1.00 1.00 H new ATOM 0 HB3 LYS A 105 7.288 18.582 -9.357 1.00 1.00 H new ATOM 0 HG2 LYS A 105 8.230 20.673 -8.556 1.00 1.00 H new ATOM 0 HG3 LYS A 105 7.055 20.998 -9.815 1.00 1.00 H new ATOM 0 HD2 LYS A 105 6.684 22.667 -8.167 1.00 1.00 H new ATOM 0 HD3 LYS A 105 5.369 21.527 -7.963 1.00 1.00 H new ATOM 0 HE2 LYS A 105 6.609 20.438 -6.079 1.00 1.00 H new ATOM 0 HE3 LYS A 105 7.920 21.582 -6.282 1.00 1.00 H new ATOM 0 HZ1 LYS A 105 6.719 22.611 -4.661 1.00 1.00 H new ATOM 0 HZ2 LYS A 105 5.976 23.312 -6.017 1.00 1.00 H new ATOM 0 HZ3 LYS A 105 5.223 22.022 -5.209 1.00 1.00 H new ATOM 446 N GLU A 106 5.004 18.845 -11.536 1.00 1.00 N ATOM 447 CA GLU A 106 4.662 19.364 -12.864 1.00 1.00 C ATOM 448 C GLU A 106 3.164 19.571 -12.991 1.00 1.00 C ATOM 449 O GLU A 106 2.703 20.591 -13.486 1.00 1.00 O ATOM 450 CB GLU A 106 5.090 18.427 -13.994 1.00 1.00 C ATOM 451 CG GLU A 106 6.517 17.932 -13.836 1.00 1.00 C ATOM 452 CD GLU A 106 7.038 17.301 -15.140 1.00 1.00 C ATOM 453 OE1 GLU A 106 6.855 16.077 -15.347 1.00 1.00 O ATOM 454 OE2 GLU A 106 7.637 18.028 -15.971 1.00 1.00 O ATOM 0 H GLU A 106 5.369 17.892 -11.536 1.00 1.00 H new ATOM 0 HA GLU A 106 5.200 20.307 -12.958 1.00 1.00 H new ATOM 0 HB2 GLU A 106 4.415 17.572 -14.027 1.00 1.00 H new ATOM 0 HB3 GLU A 106 4.993 18.946 -14.947 1.00 1.00 H new ATOM 0 HG2 GLU A 106 7.162 18.762 -13.548 1.00 1.00 H new ATOM 0 HG3 GLU A 106 6.563 17.199 -13.031 1.00 1.00 H new ATOM 461 N TRP A 107 2.393 18.616 -12.478 1.00 1.00 N ATOM 462 CA TRP A 107 0.930 18.719 -12.489 1.00 1.00 C ATOM 463 C TRP A 107 0.413 19.909 -11.664 1.00 1.00 C ATOM 464 O TRP A 107 -0.525 20.595 -12.078 1.00 1.00 O ATOM 465 CB TRP A 107 0.302 17.403 -12.021 1.00 1.00 C ATOM 466 CG TRP A 107 0.552 16.168 -12.833 1.00 1.00 C ATOM 467 CD1 TRP A 107 1.375 16.030 -13.903 1.00 1.00 C ATOM 468 CD2 TRP A 107 -0.035 14.847 -12.621 1.00 1.00 C ATOM 469 NE1 TRP A 107 1.347 14.724 -14.345 1.00 1.00 N ATOM 470 CE2 TRP A 107 0.544 13.944 -13.554 1.00 1.00 C ATOM 471 CE3 TRP A 107 -0.998 14.325 -11.735 1.00 1.00 C ATOM 472 CZ2 TRP A 107 0.253 12.578 -13.559 1.00 1.00 C ATOM 473 CZ3 TRP A 107 -1.355 12.964 -11.781 1.00 1.00 C ATOM 474 CH2 TRP A 107 -0.712 12.086 -12.671 1.00 1.00 C ATOM 0 H TRP A 107 2.752 17.763 -12.050 1.00 1.00 H new ATOM 0 HA TRP A 107 0.626 18.908 -13.519 1.00 1.00 H new ATOM 0 HB2 TRP A 107 0.651 17.210 -11.007 1.00 1.00 H new ATOM 0 HB3 TRP A 107 -0.776 17.551 -11.964 1.00 1.00 H new ATOM 0 HD1 TRP A 107 1.963 16.823 -14.342 1.00 1.00 H new ATOM 0 HE1 TRP A 107 1.859 14.382 -15.158 1.00 1.00 H new ATOM 0 HE3 TRP A 107 -1.468 14.976 -11.013 1.00 1.00 H new ATOM 0 HZ2 TRP A 107 0.764 11.911 -14.237 1.00 1.00 H new ATOM 0 HZ3 TRP A 107 -2.129 12.591 -11.127 1.00 1.00 H new ATOM 0 HH2 TRP A 107 -0.961 11.035 -12.670 1.00 1.00 H new ATOM 485 N LYS A 108 1.068 20.227 -10.539 1.00 1.00 N ATOM 486 CA LYS A 108 0.782 21.455 -9.770 1.00 1.00 C ATOM 487 C LYS A 108 1.128 22.728 -10.552 1.00 1.00 C ATOM 488 O LYS A 108 0.406 23.715 -10.444 1.00 1.00 O ATOM 489 CB LYS A 108 1.563 21.473 -8.451 1.00 1.00 C ATOM 490 CG LYS A 108 1.028 20.437 -7.467 1.00 1.00 C ATOM 491 CD LYS A 108 1.707 20.640 -6.113 1.00 1.00 C ATOM 492 CE LYS A 108 1.253 19.533 -5.164 1.00 1.00 C ATOM 493 NZ LYS A 108 1.743 19.800 -3.794 1.00 1.00 N ATOM 0 H LYS A 108 1.805 19.649 -10.136 1.00 1.00 H new ATOM 0 HA LYS A 108 -0.290 21.443 -9.574 1.00 1.00 H new ATOM 0 HB2 LYS A 108 2.617 21.277 -8.649 1.00 1.00 H new ATOM 0 HB3 LYS A 108 1.501 22.465 -8.005 1.00 1.00 H new ATOM 0 HG2 LYS A 108 -0.053 20.537 -7.365 1.00 1.00 H new ATOM 0 HG3 LYS A 108 1.221 19.430 -7.838 1.00 1.00 H new ATOM 0 HD2 LYS A 108 2.791 20.618 -6.227 1.00 1.00 H new ATOM 0 HD3 LYS A 108 1.449 21.617 -5.704 1.00 1.00 H new ATOM 0 HE2 LYS A 108 0.165 19.469 -5.163 1.00 1.00 H new ATOM 0 HE3 LYS A 108 1.628 18.570 -5.511 1.00 1.00 H new ATOM 0 HZ1 LYS A 108 1.943 18.899 -3.315 1.00 1.00 H new ATOM 0 HZ2 LYS A 108 2.613 20.368 -3.841 1.00 1.00 H new ATOM 0 HZ3 LYS A 108 1.018 20.322 -3.261 1.00 1.00 H new ATOM 507 N ALA A 109 2.205 22.710 -11.345 1.00 1.00 N ATOM 508 CA ALA A 109 2.595 23.836 -12.183 1.00 1.00 C ATOM 509 C ALA A 109 1.581 24.061 -13.312 1.00 1.00 C ATOM 510 O ALA A 109 1.134 25.185 -13.558 1.00 1.00 O ATOM 511 CB ALA A 109 3.973 23.542 -12.791 1.00 1.00 C ATOM 0 H ALA A 109 2.830 21.907 -11.420 1.00 1.00 H new ATOM 0 HA ALA A 109 2.629 24.737 -11.570 1.00 1.00 H new ATOM 0 HB1 ALA A 109 4.278 24.377 -13.421 1.00 1.00 H new ATOM 0 HB2 ALA A 109 4.702 23.405 -11.992 1.00 1.00 H new ATOM 0 HB3 ALA A 109 3.919 22.634 -13.392 1.00 1.00 H new ATOM 517 N LYS A 110 1.234 22.964 -13.993 1.00 1.00 N ATOM 518 CA LYS A 110 0.470 22.941 -15.224 1.00 1.00 C ATOM 519 C LYS A 110 -1.038 23.176 -15.036 1.00 1.00 C ATOM 520 O LYS A 110 -1.654 23.805 -15.900 1.00 1.00 O ATOM 521 CB LYS A 110 0.748 21.620 -15.956 1.00 1.00 C ATOM 522 CG LYS A 110 2.137 21.607 -16.621 1.00 1.00 C ATOM 523 CD LYS A 110 2.461 20.268 -17.306 1.00 1.00 C ATOM 524 CE LYS A 110 1.686 20.061 -18.620 1.00 1.00 C ATOM 525 NZ LYS A 110 2.254 20.847 -19.758 1.00 1.00 N ATOM 0 H LYS A 110 1.495 22.030 -13.678 1.00 1.00 H new ATOM 0 HA LYS A 110 0.802 23.785 -15.828 1.00 1.00 H new ATOM 0 HB2 LYS A 110 0.677 20.793 -15.250 1.00 1.00 H new ATOM 0 HB3 LYS A 110 -0.018 21.458 -16.714 1.00 1.00 H new ATOM 0 HG2 LYS A 110 2.189 22.408 -17.358 1.00 1.00 H new ATOM 0 HG3 LYS A 110 2.897 21.817 -15.868 1.00 1.00 H new ATOM 0 HD2 LYS A 110 3.531 20.220 -17.510 1.00 1.00 H new ATOM 0 HD3 LYS A 110 2.230 19.451 -16.622 1.00 1.00 H new ATOM 0 HE2 LYS A 110 1.692 19.002 -18.877 1.00 1.00 H new ATOM 0 HE3 LYS A 110 0.645 20.347 -18.471 1.00 1.00 H new ATOM 0 HZ1 LYS A 110 1.694 20.670 -20.616 1.00 1.00 H new ATOM 0 HZ2 LYS A 110 2.224 21.861 -19.529 1.00 1.00 H new ATOM 0 HZ3 LYS A 110 3.239 20.558 -19.922 1.00 1.00 H new ATOM 539 N TRP A 111 -1.612 22.712 -13.917 1.00 1.00 N ATOM 540 CA TRP A 111 -3.061 22.795 -13.640 1.00 1.00 C ATOM 541 C TRP A 111 -3.403 23.283 -12.220 1.00 1.00 C ATOM 542 O TRP A 111 -4.229 24.188 -12.086 1.00 1.00 O ATOM 543 CB TRP A 111 -3.729 21.442 -13.935 1.00 1.00 C ATOM 544 CG TRP A 111 -3.545 20.933 -15.339 1.00 1.00 C ATOM 545 CD1 TRP A 111 -4.255 21.320 -16.423 1.00 1.00 C ATOM 546 CD2 TRP A 111 -2.550 19.992 -15.843 1.00 1.00 C ATOM 547 NE1 TRP A 111 -3.764 20.693 -17.554 1.00 1.00 N ATOM 548 CE2 TRP A 111 -2.697 19.872 -17.256 1.00 1.00 C ATOM 549 CE3 TRP A 111 -1.516 19.250 -15.242 1.00 1.00 C ATOM 550 CZ2 TRP A 111 -1.861 19.053 -18.031 1.00 1.00 C ATOM 551 CZ3 TRP A 111 -0.639 18.462 -16.012 1.00 1.00 C ATOM 552 CH2 TRP A 111 -0.824 18.339 -17.400 1.00 1.00 C ATOM 0 H TRP A 111 -1.082 22.264 -13.169 1.00 1.00 H new ATOM 0 HA TRP A 111 -3.460 23.558 -14.309 1.00 1.00 H new ATOM 0 HB2 TRP A 111 -3.334 20.700 -13.241 1.00 1.00 H new ATOM 0 HB3 TRP A 111 -4.797 21.530 -13.734 1.00 1.00 H new ATOM 0 HD1 TRP A 111 -5.082 22.015 -16.408 1.00 1.00 H new ATOM 0 HE1 TRP A 111 -4.144 20.822 -18.492 1.00 1.00 H new ATOM 0 HE3 TRP A 111 -1.393 19.286 -14.170 1.00 1.00 H new ATOM 0 HZ2 TRP A 111 -2.011 18.971 -19.097 1.00 1.00 H new ATOM 0 HZ3 TRP A 111 0.181 17.949 -15.533 1.00 1.00 H new ATOM 0 HH2 TRP A 111 -0.174 17.700 -17.980 1.00 1.00 H new ATOM 563 N GLY A 112 -2.762 22.747 -11.169 1.00 1.00 N ATOM 564 CA GLY A 112 -2.848 23.281 -9.792 1.00 1.00 C ATOM 565 C GLY A 112 -2.951 22.223 -8.682 1.00 1.00 C ATOM 566 O GLY A 112 -3.473 21.137 -8.919 1.00 1.00 O ATOM 0 H GLY A 112 -2.164 21.924 -11.247 1.00 1.00 H new ATOM 0 HA2 GLY A 112 -1.969 23.897 -9.603 1.00 1.00 H new ATOM 0 HA3 GLY A 112 -3.716 23.937 -9.728 1.00 1.00 H new ATOM 570 N PRO A 113 -2.520 22.521 -7.438 1.00 1.00 N ATOM 571 CA PRO A 113 -2.584 21.575 -6.316 1.00 1.00 C ATOM 572 C PRO A 113 -4.013 21.159 -5.932 1.00 1.00 C ATOM 573 O PRO A 113 -4.226 20.014 -5.541 1.00 1.00 O ATOM 574 CB PRO A 113 -1.851 22.251 -5.153 1.00 1.00 C ATOM 575 CG PRO A 113 -1.887 23.738 -5.496 1.00 1.00 C ATOM 576 CD PRO A 113 -1.886 23.766 -7.021 1.00 1.00 C ATOM 0 HA PRO A 113 -2.113 20.634 -6.599 1.00 1.00 H new ATOM 0 HB2 PRO A 113 -2.344 22.050 -4.202 1.00 1.00 H new ATOM 0 HB3 PRO A 113 -0.827 21.888 -5.064 1.00 1.00 H new ATOM 0 HG2 PRO A 113 -2.776 24.220 -5.089 1.00 1.00 H new ATOM 0 HG3 PRO A 113 -1.024 24.263 -5.087 1.00 1.00 H new ATOM 0 HD2 PRO A 113 -2.434 24.630 -7.397 1.00 1.00 H new ATOM 0 HD3 PRO A 113 -0.871 23.838 -7.411 1.00 1.00 H new ATOM 584 N GLU A 114 -4.999 22.044 -6.097 1.00 1.00 N ATOM 585 CA GLU A 114 -6.416 21.749 -5.844 1.00 1.00 C ATOM 586 C GLU A 114 -6.925 20.660 -6.785 1.00 1.00 C ATOM 587 O GLU A 114 -7.554 19.684 -6.373 1.00 1.00 O ATOM 588 CB GLU A 114 -7.265 23.001 -6.081 1.00 1.00 C ATOM 589 CG GLU A 114 -6.702 24.271 -5.443 1.00 1.00 C ATOM 590 CD GLU A 114 -7.715 25.431 -5.526 1.00 1.00 C ATOM 591 OE1 GLU A 114 -7.738 26.160 -6.547 1.00 1.00 O ATOM 592 OE2 GLU A 114 -8.493 25.633 -4.560 1.00 1.00 O ATOM 0 H GLU A 114 -4.836 23.000 -6.414 1.00 1.00 H new ATOM 0 HA GLU A 114 -6.500 21.415 -4.810 1.00 1.00 H new ATOM 0 HB2 GLU A 114 -7.364 23.161 -7.155 1.00 1.00 H new ATOM 0 HB3 GLU A 114 -8.267 22.826 -5.691 1.00 1.00 H new ATOM 0 HG2 GLU A 114 -6.451 24.077 -4.400 1.00 1.00 H new ATOM 0 HG3 GLU A 114 -5.777 24.555 -5.946 1.00 1.00 H new ATOM 599 N ALA A 115 -6.590 20.829 -8.066 1.00 1.00 N ATOM 600 CA ALA A 115 -6.895 19.896 -9.144 1.00 1.00 C ATOM 601 C ALA A 115 -6.274 18.533 -8.843 1.00 1.00 C ATOM 602 O ALA A 115 -6.953 17.511 -8.783 1.00 1.00 O ATOM 603 CB ALA A 115 -6.325 20.462 -10.453 1.00 1.00 C ATOM 0 H ALA A 115 -6.080 21.651 -8.389 1.00 1.00 H new ATOM 0 HA ALA A 115 -7.974 19.769 -9.236 1.00 1.00 H new ATOM 0 HB1 ALA A 115 -6.544 19.776 -11.272 1.00 1.00 H new ATOM 0 HB2 ALA A 115 -6.780 21.431 -10.659 1.00 1.00 H new ATOM 0 HB3 ALA A 115 -5.246 20.581 -10.358 1.00 1.00 H new ATOM 609 N VAL A 116 -4.970 18.569 -8.583 1.00 1.00 N ATOM 610 CA VAL A 116 -4.115 17.421 -8.340 1.00 1.00 C ATOM 611 C VAL A 116 -4.624 16.571 -7.174 1.00 1.00 C ATOM 612 O VAL A 116 -4.783 15.361 -7.316 1.00 1.00 O ATOM 613 CB VAL A 116 -2.682 17.932 -8.138 1.00 1.00 C ATOM 614 CG1 VAL A 116 -1.709 16.937 -7.501 1.00 1.00 C ATOM 615 CG2 VAL A 116 -2.127 18.361 -9.503 1.00 1.00 C ATOM 0 H VAL A 116 -4.458 19.450 -8.535 1.00 1.00 H new ATOM 0 HA VAL A 116 -4.129 16.749 -9.198 1.00 1.00 H new ATOM 0 HB VAL A 116 -2.757 18.757 -7.429 1.00 1.00 H new ATOM 0 HG11 VAL A 116 -0.727 17.400 -7.404 1.00 1.00 H new ATOM 0 HG12 VAL A 116 -2.074 16.652 -6.514 1.00 1.00 H new ATOM 0 HG13 VAL A 116 -1.632 16.050 -8.130 1.00 1.00 H new ATOM 0 HG21 VAL A 116 -1.108 18.728 -9.382 1.00 1.00 H new ATOM 0 HG22 VAL A 116 -2.127 17.507 -10.181 1.00 1.00 H new ATOM 0 HG23 VAL A 116 -2.751 19.153 -9.917 1.00 1.00 H new ATOM 625 N GLU A 117 -4.959 17.200 -6.045 1.00 1.00 N ATOM 626 CA GLU A 117 -5.552 16.510 -4.890 1.00 1.00 C ATOM 627 C GLU A 117 -6.972 16.000 -5.178 1.00 1.00 C ATOM 628 O GLU A 117 -7.350 14.928 -4.699 1.00 1.00 O ATOM 629 CB GLU A 117 -5.580 17.455 -3.679 1.00 1.00 C ATOM 630 CG GLU A 117 -4.199 17.634 -3.039 1.00 1.00 C ATOM 631 CD GLU A 117 -3.850 16.412 -2.154 1.00 1.00 C ATOM 632 OE1 GLU A 117 -4.302 16.357 -0.984 1.00 1.00 O ATOM 633 OE2 GLU A 117 -3.194 15.455 -2.628 1.00 1.00 O ATOM 0 H GLU A 117 -4.828 18.202 -5.903 1.00 1.00 H new ATOM 0 HA GLU A 117 -4.929 15.641 -4.677 1.00 1.00 H new ATOM 0 HB2 GLU A 117 -5.961 18.428 -3.991 1.00 1.00 H new ATOM 0 HB3 GLU A 117 -6.274 17.065 -2.934 1.00 1.00 H new ATOM 0 HG2 GLU A 117 -3.444 17.755 -3.816 1.00 1.00 H new ATOM 0 HG3 GLU A 117 -4.185 18.543 -2.437 1.00 1.00 H new ATOM 640 N SER A 118 -7.756 16.729 -5.979 1.00 1.00 N ATOM 641 CA SER A 118 -9.122 16.322 -6.359 1.00 1.00 C ATOM 642 C SER A 118 -9.145 15.071 -7.249 1.00 1.00 C ATOM 643 O SER A 118 -10.070 14.262 -7.157 1.00 1.00 O ATOM 644 CB SER A 118 -9.881 17.452 -7.067 1.00 1.00 C ATOM 645 OG SER A 118 -10.013 18.580 -6.222 1.00 1.00 O ATOM 0 H SER A 118 -7.466 17.619 -6.385 1.00 1.00 H new ATOM 0 HA SER A 118 -9.621 16.085 -5.420 1.00 1.00 H new ATOM 0 HB2 SER A 118 -9.353 17.735 -7.978 1.00 1.00 H new ATOM 0 HB3 SER A 118 -10.868 17.100 -7.367 1.00 1.00 H new ATOM 0 HG SER A 118 -9.225 19.155 -6.318 1.00 1.00 H new ATOM 651 N TRP A 119 -8.114 14.885 -8.079 1.00 1.00 N ATOM 652 CA TRP A 119 -7.929 13.684 -8.901 1.00 1.00 C ATOM 653 C TRP A 119 -7.460 12.443 -8.112 1.00 1.00 C ATOM 654 O TRP A 119 -7.418 11.346 -8.680 1.00 1.00 O ATOM 655 CB TRP A 119 -6.905 13.957 -10.012 1.00 1.00 C ATOM 656 CG TRP A 119 -7.070 15.151 -10.905 1.00 1.00 C ATOM 657 CD1 TRP A 119 -8.226 15.792 -11.203 1.00 1.00 C ATOM 658 CD2 TRP A 119 -6.027 15.853 -11.652 1.00 1.00 C ATOM 659 NE1 TRP A 119 -7.965 16.862 -12.041 1.00 1.00 N ATOM 660 CE2 TRP A 119 -6.623 16.946 -12.349 1.00 1.00 C ATOM 661 CE3 TRP A 119 -4.636 15.668 -11.818 1.00 1.00 C ATOM 662 CZ2 TRP A 119 -5.876 17.825 -13.148 1.00 1.00 C ATOM 663 CZ3 TRP A 119 -3.879 16.535 -12.631 1.00 1.00 C ATOM 664 CH2 TRP A 119 -4.492 17.616 -13.286 1.00 1.00 C ATOM 0 H TRP A 119 -7.373 15.575 -8.201 1.00 1.00 H new ATOM 0 HA TRP A 119 -8.915 13.459 -9.307 1.00 1.00 H new ATOM 0 HB2 TRP A 119 -5.927 14.039 -9.539 1.00 1.00 H new ATOM 0 HB3 TRP A 119 -6.877 13.075 -10.652 1.00 1.00 H new ATOM 0 HD1 TRP A 119 -9.204 15.510 -10.841 1.00 1.00 H new ATOM 0 HE1 TRP A 119 -8.675 17.507 -12.387 1.00 1.00 H new ATOM 0 HE3 TRP A 119 -4.145 14.849 -11.314 1.00 1.00 H new ATOM 0 HZ2 TRP A 119 -6.357 18.651 -13.650 1.00 1.00 H new ATOM 0 HZ3 TRP A 119 -2.819 16.367 -12.751 1.00 1.00 H new ATOM 0 HH2 TRP A 119 -3.902 18.285 -13.894 1.00 1.00 H new ATOM 675 N ALA A 120 -7.042 12.585 -6.846 1.00 1.00 N ATOM 676 CA ALA A 120 -6.407 11.514 -6.099 1.00 1.00 C ATOM 677 C ALA A 120 -7.337 10.355 -5.700 1.00 1.00 C ATOM 678 O ALA A 120 -8.570 10.406 -5.746 1.00 1.00 O ATOM 679 CB ALA A 120 -5.686 12.067 -4.860 1.00 1.00 C ATOM 0 H ALA A 120 -7.140 13.453 -6.319 1.00 1.00 H new ATOM 0 HA ALA A 120 -5.686 11.081 -6.793 1.00 1.00 H new ATOM 0 HB1 ALA A 120 -5.218 11.247 -4.315 1.00 1.00 H new ATOM 0 HB2 ALA A 120 -4.922 12.779 -5.171 1.00 1.00 H new ATOM 0 HB3 ALA A 120 -6.406 12.567 -4.213 1.00 1.00 H new ATOM 685 N THR A 121 -6.653 9.322 -5.236 1.00 1.00 N ATOM 686 CA THR A 121 -7.116 8.001 -4.797 1.00 1.00 C ATOM 687 C THR A 121 -6.276 7.594 -3.595 1.00 1.00 C ATOM 688 O THR A 121 -5.079 7.850 -3.578 1.00 1.00 O ATOM 689 CB THR A 121 -6.874 6.998 -5.931 1.00 1.00 C ATOM 690 OG1 THR A 121 -7.531 7.388 -7.125 1.00 1.00 O ATOM 691 CG2 THR A 121 -7.387 5.614 -5.540 1.00 1.00 C ATOM 0 H THR A 121 -5.639 9.391 -5.145 1.00 1.00 H new ATOM 0 HA THR A 121 -8.175 8.023 -4.540 1.00 1.00 H new ATOM 0 HB THR A 121 -5.798 6.972 -6.103 1.00 1.00 H new ATOM 0 HG1 THR A 121 -7.354 6.727 -7.827 1.00 1.00 H new ATOM 0 HG21 THR A 121 -7.207 4.915 -6.357 1.00 1.00 H new ATOM 0 HG22 THR A 121 -6.864 5.271 -4.647 1.00 1.00 H new ATOM 0 HG23 THR A 121 -8.457 5.666 -5.337 1.00 1.00 H new ATOM 699 N LEU A 122 -6.866 6.933 -2.605 1.00 1.00 N ATOM 700 CA LEU A 122 -6.198 6.579 -1.347 1.00 1.00 C ATOM 701 C LEU A 122 -5.935 5.067 -1.317 1.00 1.00 C ATOM 702 O LEU A 122 -6.854 4.258 -1.456 1.00 1.00 O ATOM 703 CB LEU A 122 -7.059 7.090 -0.177 1.00 1.00 C ATOM 704 CG LEU A 122 -6.266 7.342 1.122 1.00 1.00 C ATOM 705 CD1 LEU A 122 -7.193 7.975 2.159 1.00 1.00 C ATOM 706 CD2 LEU A 122 -5.665 6.075 1.726 1.00 1.00 C ATOM 0 H LEU A 122 -7.836 6.621 -2.650 1.00 1.00 H new ATOM 0 HA LEU A 122 -5.222 7.056 -1.257 1.00 1.00 H new ATOM 0 HB2 LEU A 122 -7.549 8.016 -0.477 1.00 1.00 H new ATOM 0 HB3 LEU A 122 -7.847 6.364 0.025 1.00 1.00 H new ATOM 0 HG LEU A 122 -5.439 8.001 0.858 1.00 1.00 H new ATOM 0 HD11 LEU A 122 -6.639 8.156 3.080 1.00 1.00 H new ATOM 0 HD12 LEU A 122 -7.577 8.920 1.775 1.00 1.00 H new ATOM 0 HD13 LEU A 122 -8.025 7.301 2.363 1.00 1.00 H new ATOM 0 HD21 LEU A 122 -5.122 6.328 2.637 1.00 1.00 H new ATOM 0 HD22 LEU A 122 -6.463 5.371 1.963 1.00 1.00 H new ATOM 0 HD23 LEU A 122 -4.981 5.620 1.010 1.00 1.00 H new ATOM 718 N LEU A 123 -4.663 4.703 -1.159 1.00 1.00 N ATOM 719 CA LEU A 123 -4.131 3.349 -1.251 1.00 1.00 C ATOM 720 C LEU A 123 -3.459 2.935 0.069 1.00 1.00 C ATOM 721 O LEU A 123 -2.570 3.613 0.588 1.00 1.00 O ATOM 722 CB LEU A 123 -3.147 3.282 -2.435 1.00 1.00 C ATOM 723 CG LEU A 123 -3.762 3.616 -3.801 1.00 1.00 C ATOM 724 CD1 LEU A 123 -2.674 3.457 -4.859 1.00 1.00 C ATOM 725 CD2 LEU A 123 -4.922 2.697 -4.174 1.00 1.00 C ATOM 0 H LEU A 123 -3.936 5.387 -0.951 1.00 1.00 H new ATOM 0 HA LEU A 123 -4.944 2.644 -1.426 1.00 1.00 H new ATOM 0 HB2 LEU A 123 -2.324 3.970 -2.245 1.00 1.00 H new ATOM 0 HB3 LEU A 123 -2.721 2.280 -2.479 1.00 1.00 H new ATOM 0 HG LEU A 123 -4.151 4.633 -3.748 1.00 1.00 H new ATOM 0 HD11 LEU A 123 -3.085 3.689 -5.841 1.00 1.00 H new ATOM 0 HD12 LEU A 123 -1.851 4.138 -4.640 1.00 1.00 H new ATOM 0 HD13 LEU A 123 -2.307 2.431 -4.852 1.00 1.00 H new ATOM 0 HD21 LEU A 123 -5.314 2.984 -5.150 1.00 1.00 H new ATOM 0 HD22 LEU A 123 -4.571 1.666 -4.213 1.00 1.00 H new ATOM 0 HD23 LEU A 123 -5.710 2.784 -3.426 1.00 1.00 H new ATOM 737 N GLY A 124 -3.900 1.794 0.603 1.00 1.00 N ATOM 738 CA GLY A 124 -3.492 1.280 1.923 1.00 1.00 C ATOM 739 C GLY A 124 -2.274 0.339 1.912 1.00 1.00 C ATOM 740 O GLY A 124 -1.755 0.005 2.980 1.00 1.00 O ATOM 0 H GLY A 124 -4.564 1.185 0.125 1.00 1.00 H new ATOM 0 HA2 GLY A 124 -3.271 2.127 2.572 1.00 1.00 H new ATOM 0 HA3 GLY A 124 -4.336 0.751 2.366 1.00 1.00 H new ATOM 744 N HIS A 125 -1.813 -0.082 0.726 1.00 1.00 N ATOM 745 CA HIS A 125 -0.659 -0.975 0.519 1.00 1.00 C ATOM 746 C HIS A 125 0.010 -0.747 -0.851 1.00 1.00 C ATOM 747 O HIS A 125 1.260 -0.758 -0.912 1.00 1.00 O ATOM 748 CB HIS A 125 -1.089 -2.446 0.713 1.00 1.00 C ATOM 749 CG HIS A 125 -2.265 -2.914 -0.116 1.00 1.00 C ATOM 750 ND1 HIS A 125 -2.543 -2.555 -1.419 1.00 1.00 N ATOM 751 CD2 HIS A 125 -3.235 -3.790 0.285 1.00 1.00 C ATOM 752 CE1 HIS A 125 -3.663 -3.196 -1.812 1.00 1.00 C ATOM 753 NE2 HIS A 125 -4.104 -3.951 -0.784 1.00 1.00 N ATOM 0 H HIS A 125 -2.250 0.200 -0.152 1.00 1.00 H new ATOM 0 HA HIS A 125 0.096 -0.736 1.268 1.00 1.00 H new ATOM 0 HB2 HIS A 125 -0.235 -3.085 0.487 1.00 1.00 H new ATOM 0 HB3 HIS A 125 -1.330 -2.596 1.765 1.00 1.00 H new ATOM 0 HD2 HIS A 125 -3.310 -4.266 1.251 1.00 1.00 H new ATOM 0 HE1 HIS A 125 -4.128 -3.118 -2.784 1.00 1.00 H new ATOM 0 HE2 HIS A 125 -4.936 -4.541 -0.792 1.00 1.00 H new TER 762 HIS A 125 ATOM 763 O5' DC B 1 -4.148 28.032 6.804 1.00 1.00 O ATOM 764 C5' DC B 1 -4.341 29.124 7.708 1.00 1.00 C ATOM 765 C4' DC B 1 -3.533 29.013 9.017 1.00 1.00 C ATOM 766 O4' DC B 1 -4.014 27.950 9.831 1.00 1.00 O ATOM 767 C3' DC B 1 -2.036 28.804 8.752 1.00 1.00 C ATOM 768 O3' DC B 1 -1.265 29.721 9.530 1.00 1.00 O ATOM 769 C2' DC B 1 -1.828 27.339 9.116 1.00 1.00 C ATOM 770 C1' DC B 1 -2.953 27.053 10.116 1.00 1.00 C ATOM 771 N1 DC B 1 -3.465 25.662 10.055 1.00 1.00 N ATOM 772 C2 DC B 1 -3.631 24.909 11.222 1.00 1.00 C ATOM 773 O2 DC B 1 -3.289 25.331 12.328 1.00 1.00 O ATOM 774 N3 DC B 1 -4.185 23.672 11.176 1.00 1.00 N ATOM 775 C4 DC B 1 -4.518 23.181 9.997 1.00 1.00 C ATOM 776 N4 DC B 1 -5.067 21.999 10.013 1.00 1.00 N ATOM 777 C5 DC B 1 -4.359 23.896 8.776 1.00 1.00 C ATOM 778 C6 DC B 1 -3.837 25.139 8.853 1.00 1.00 C ATOM 0 H5' DC B 1 -5.401 29.195 7.953 1.00 1.00 H new ATOM 0 H5'' DC B 1 -4.068 30.051 7.204 1.00 1.00 H new ATOM 0 H4' DC B 1 -3.665 29.960 9.541 1.00 1.00 H new ATOM 0 H3' DC B 1 -1.716 29.000 7.729 1.00 1.00 H new ATOM 0 H2' DC B 1 -1.897 26.694 8.240 1.00 1.00 H new ATOM 0 H2'' DC B 1 -0.846 27.171 9.558 1.00 1.00 H new ATOM 0 HO5' DC B 1 -4.692 28.172 6.001 1.00 1.00 H new ATOM 0 H1' DC B 1 -2.550 27.186 11.120 1.00 1.00 H new ATOM 0 H41 DC B 1 -5.350 21.556 9.139 1.00 1.00 H new ATOM 0 H42 DC B 1 -5.213 21.517 10.900 1.00 1.00 H new ATOM 0 H5 DC B 1 -4.644 23.463 7.829 1.00 1.00 H new ATOM 0 H6 DC B 1 -3.713 25.724 7.954 1.00 1.00 H new ATOM 791 P DG B 2 0.356 29.808 9.445 1.00 1.00 P ATOM 792 OP1 DG B 2 0.754 31.190 9.838 1.00 1.00 O ATOM 793 OP2 DG B 2 0.798 29.302 8.115 1.00 1.00 O ATOM 794 O5' DG B 2 0.877 28.774 10.588 1.00 1.00 O ATOM 795 C5' DG B 2 0.714 29.058 11.977 1.00 1.00 C ATOM 796 C4' DG B 2 1.303 27.988 12.921 1.00 1.00 C ATOM 797 O4' DG B 2 0.461 26.838 12.987 1.00 1.00 O ATOM 798 C3' DG B 2 2.722 27.537 12.519 1.00 1.00 C ATOM 799 O3' DG B 2 3.576 27.528 13.664 1.00 1.00 O ATOM 800 C2' DG B 2 2.436 26.158 11.932 1.00 1.00 C ATOM 801 C1' DG B 2 1.257 25.680 12.777 1.00 1.00 C ATOM 802 N9 DG B 2 0.453 24.630 12.118 1.00 1.00 N ATOM 803 C8 DG B 2 0.014 24.615 10.823 1.00 1.00 C ATOM 804 N7 DG B 2 -0.728 23.588 10.510 1.00 1.00 N ATOM 805 C5 DG B 2 -0.755 22.838 11.695 1.00 1.00 C ATOM 806 C6 DG B 2 -1.388 21.582 12.017 1.00 1.00 C ATOM 807 O6 DG B 2 -2.127 20.878 11.330 1.00 1.00 O ATOM 808 N1 DG B 2 -1.113 21.133 13.290 1.00 1.00 N ATOM 809 C2 DG B 2 -0.353 21.816 14.175 1.00 1.00 C ATOM 810 N2 DG B 2 -0.180 21.259 15.343 1.00 1.00 N ATOM 811 N3 DG B 2 0.226 22.995 13.945 1.00 1.00 N ATOM 812 C4 DG B 2 -0.009 23.456 12.679 1.00 1.00 C ATOM 0 H5' DG B 2 -0.349 29.167 12.190 1.00 1.00 H new ATOM 0 H5'' DG B 2 1.184 30.017 12.197 1.00 1.00 H new ATOM 0 H4' DG B 2 1.364 28.467 13.898 1.00 1.00 H new ATOM 0 H3' DG B 2 3.252 28.179 11.815 1.00 1.00 H new ATOM 0 H2' DG B 2 2.182 26.212 10.873 1.00 1.00 H new ATOM 0 H2'' DG B 2 3.295 25.493 12.020 1.00 1.00 H new ATOM 0 H1' DG B 2 1.618 25.227 13.701 1.00 1.00 H new ATOM 0 H8 DG B 2 0.262 25.392 10.115 1.00 1.00 H new ATOM 0 H1 DG B 2 -1.504 20.237 13.580 1.00 1.00 H new ATOM 0 H21 DG B 2 0.384 21.727 16.053 1.00 1.00 H new ATOM 0 H22 DG B 2 -0.609 20.356 15.546 1.00 1.00 H new ATOM 824 P DC B 3 5.149 27.129 13.594 1.00 1.00 P ATOM 825 OP1 DC B 3 5.869 27.952 14.607 1.00 1.00 O ATOM 826 OP2 DC B 3 5.614 27.184 12.178 1.00 1.00 O ATOM 827 O5' DC B 3 5.166 25.582 14.081 1.00 1.00 O ATOM 828 C5' DC B 3 4.844 25.244 15.428 1.00 1.00 C ATOM 829 C4' DC B 3 4.789 23.734 15.709 1.00 1.00 C ATOM 830 O4' DC B 3 3.689 23.166 15.010 1.00 1.00 O ATOM 831 C3' DC B 3 6.076 22.977 15.328 1.00 1.00 C ATOM 832 O3' DC B 3 6.711 22.465 16.503 1.00 1.00 O ATOM 833 C2' DC B 3 5.579 21.875 14.387 1.00 1.00 C ATOM 834 C1' DC B 3 4.058 21.895 14.516 1.00 1.00 C ATOM 835 N1 DC B 3 3.382 21.667 13.216 1.00 1.00 N ATOM 836 C2 DC B 3 2.587 20.530 13.030 1.00 1.00 C ATOM 837 O2 DC B 3 2.469 19.662 13.896 1.00 1.00 O ATOM 838 N3 DC B 3 1.909 20.339 11.875 1.00 1.00 N ATOM 839 C4 DC B 3 2.049 21.234 10.920 1.00 1.00 C ATOM 840 N4 DC B 3 1.361 21.001 9.838 1.00 1.00 N ATOM 841 C5 DC B 3 2.863 22.398 11.030 1.00 1.00 C ATOM 842 C6 DC B 3 3.520 22.578 12.204 1.00 1.00 C ATOM 0 H5' DC B 3 3.878 25.683 15.679 1.00 1.00 H new ATOM 0 H5'' DC B 3 5.582 25.698 16.090 1.00 1.00 H new ATOM 0 H4' DC B 3 4.675 23.627 16.788 1.00 1.00 H new ATOM 0 H3' DC B 3 6.833 23.597 14.847 1.00 1.00 H new ATOM 0 H2' DC B 3 5.890 22.065 13.360 1.00 1.00 H new ATOM 0 H2'' DC B 3 5.985 20.904 14.669 1.00 1.00 H new ATOM 0 H1' DC B 3 3.752 21.092 15.186 1.00 1.00 H new ATOM 0 H41 DC B 3 1.414 21.647 9.051 1.00 1.00 H new ATOM 0 H42 DC B 3 0.769 20.172 9.778 1.00 1.00 H new ATOM 0 H5 DC B 3 2.953 23.104 10.218 1.00 1.00 H new ATOM 0 H6 DC B 3 4.153 23.442 12.340 1.00 1.00 H new ATOM 854 P DA B 4 8.180 21.764 16.477 1.00 1.00 P ATOM 855 OP1 DA B 4 8.718 21.794 17.867 1.00 1.00 O ATOM 856 OP2 DA B 4 8.997 22.384 15.394 1.00 1.00 O ATOM 857 O5' DA B 4 7.892 20.221 16.077 1.00 1.00 O ATOM 858 C5' DA B 4 7.122 19.378 16.931 1.00 1.00 C ATOM 859 C4' DA B 4 6.780 18.008 16.323 1.00 1.00 C ATOM 860 O4' DA B 4 5.786 18.114 15.305 1.00 1.00 O ATOM 861 C3' DA B 4 8.003 17.266 15.743 1.00 1.00 C ATOM 862 O3' DA B 4 8.134 15.991 16.373 1.00 1.00 O ATOM 863 C2' DA B 4 7.659 17.217 14.253 1.00 1.00 C ATOM 864 C1' DA B 4 6.132 17.222 14.260 1.00 1.00 C ATOM 865 N9 DA B 4 5.571 17.730 12.997 1.00 1.00 N ATOM 866 C8 DA B 4 5.907 18.900 12.379 1.00 1.00 C ATOM 867 N7 DA B 4 5.196 19.178 11.317 1.00 1.00 N ATOM 868 C5 DA B 4 4.363 18.050 11.207 1.00 1.00 C ATOM 869 C6 DA B 4 3.379 17.624 10.285 1.00 1.00 C ATOM 870 N6 DA B 4 2.978 18.334 9.252 1.00 1.00 N ATOM 871 N1 DA B 4 2.787 16.431 10.387 1.00 1.00 N ATOM 872 C2 DA B 4 3.137 15.660 11.411 1.00 1.00 C ATOM 873 N3 DA B 4 4.023 15.923 12.368 1.00 1.00 N ATOM 874 C4 DA B 4 4.607 17.146 12.209 1.00 1.00 C ATOM 0 H5' DA B 4 6.195 19.890 17.189 1.00 1.00 H new ATOM 0 H5'' DA B 4 7.670 19.224 17.861 1.00 1.00 H new ATOM 0 H4' DA B 4 6.397 17.424 17.159 1.00 1.00 H new ATOM 0 H3' DA B 4 8.974 17.732 15.908 1.00 1.00 H new ATOM 0 H2' DA B 4 8.064 18.074 13.716 1.00 1.00 H new ATOM 0 H2'' DA B 4 8.059 16.323 13.774 1.00 1.00 H new ATOM 0 H1' DA B 4 5.742 16.212 14.390 1.00 1.00 H new ATOM 0 H8 DA B 4 6.696 19.544 12.738 1.00 1.00 H new ATOM 0 H61 DA B 4 2.262 17.964 8.626 1.00 1.00 H new ATOM 0 H62 DA B 4 3.383 19.254 9.077 1.00 1.00 H new ATOM 0 H2 DA B 4 2.642 14.702 11.474 1.00 1.00 H new ATOM 886 P DT B 5 9.434 15.036 16.158 1.00 1.00 P ATOM 887 OP1 DT B 5 9.568 14.176 17.369 1.00 1.00 O ATOM 888 OP2 DT B 5 10.598 15.874 15.753 1.00 1.00 O ATOM 889 O5' DT B 5 9.015 14.102 14.906 1.00 1.00 O ATOM 890 C5' DT B 5 7.975 13.137 15.027 1.00 1.00 C ATOM 891 C4' DT B 5 7.631 12.442 13.699 1.00 1.00 C ATOM 892 O4' DT B 5 6.976 13.358 12.823 1.00 1.00 O ATOM 893 C3' DT B 5 8.871 11.877 12.976 1.00 1.00 C ATOM 894 O3' DT B 5 8.652 10.525 12.590 1.00 1.00 O ATOM 895 C2' DT B 5 9.006 12.828 11.790 1.00 1.00 C ATOM 896 C1' DT B 5 7.548 13.222 11.537 1.00 1.00 C ATOM 897 N1 DT B 5 7.306 14.464 10.747 1.00 1.00 N ATOM 898 C2 DT B 5 6.185 14.477 9.909 1.00 1.00 C ATOM 899 O2 DT B 5 5.417 13.523 9.794 1.00 1.00 O ATOM 900 N3 DT B 5 5.953 15.612 9.170 1.00 1.00 N ATOM 901 C4 DT B 5 6.700 16.764 9.236 1.00 1.00 C ATOM 902 O4 DT B 5 6.352 17.728 8.562 1.00 1.00 O ATOM 903 C5 DT B 5 7.853 16.704 10.136 1.00 1.00 C ATOM 904 C7 DT B 5 8.769 17.908 10.270 1.00 1.00 C ATOM 905 C6 DT B 5 8.119 15.578 10.850 1.00 1.00 C ATOM 0 H5' DT B 5 7.081 13.624 15.416 1.00 1.00 H new ATOM 0 H5'' DT B 5 8.271 12.384 15.757 1.00 1.00 H new ATOM 0 H4' DT B 5 6.978 11.606 13.951 1.00 1.00 H new ATOM 0 H3' DT B 5 9.777 11.836 13.580 1.00 1.00 H new ATOM 0 H2' DT B 5 9.628 13.691 12.027 1.00 1.00 H new ATOM 0 H2'' DT B 5 9.454 12.341 10.924 1.00 1.00 H new ATOM 0 H1' DT B 5 7.104 12.449 10.910 1.00 1.00 H new ATOM 0 H3 DT B 5 5.165 15.599 8.522 1.00 1.00 H new ATOM 0 H71 DT B 5 9.198 17.929 11.272 1.00 1.00 H new ATOM 0 H72 DT B 5 9.570 17.840 9.534 1.00 1.00 H new ATOM 0 H73 DT B 5 8.197 18.821 10.101 1.00 1.00 H new ATOM 0 H6 DT B 5 8.976 15.553 11.506 1.00 1.00 H new ATOM 918 P DA B 6 9.828 9.585 11.976 1.00 1.00 P ATOM 919 OP1 DA B 6 9.811 8.286 12.708 1.00 1.00 O ATOM 920 OP2 DA B 6 11.108 10.345 11.917 1.00 1.00 O ATOM 921 O5' DA B 6 9.323 9.338 10.455 1.00 1.00 O ATOM 922 C5' DA B 6 8.191 8.513 10.193 1.00 1.00 C ATOM 923 C4' DA B 6 7.853 8.342 8.702 1.00 1.00 C ATOM 924 O4' DA B 6 7.342 9.565 8.174 1.00 1.00 O ATOM 925 C3' DA B 6 9.041 7.896 7.838 1.00 1.00 C ATOM 926 O3' DA B 6 8.572 6.904 6.929 1.00 1.00 O ATOM 927 C2' DA B 6 9.481 9.226 7.226 1.00 1.00 C ATOM 928 C1' DA B 6 8.200 10.055 7.158 1.00 1.00 C ATOM 929 N9 DA B 6 8.430 11.505 7.361 1.00 1.00 N ATOM 930 C8 DA B 6 9.349 12.108 8.184 1.00 1.00 C ATOM 931 N7 DA B 6 9.407 13.409 8.082 1.00 1.00 N ATOM 932 C5 DA B 6 8.440 13.679 7.104 1.00 1.00 C ATOM 933 C6 DA B 6 7.986 14.852 6.454 1.00 1.00 C ATOM 934 N6 DA B 6 8.467 16.062 6.674 1.00 1.00 N ATOM 935 N1 DA B 6 7.025 14.803 5.537 1.00 1.00 N ATOM 936 C2 DA B 6 6.500 13.620 5.244 1.00 1.00 C ATOM 937 N3 DA B 6 6.822 12.439 5.762 1.00 1.00 N ATOM 938 C4 DA B 6 7.818 12.535 6.686 1.00 1.00 C ATOM 0 H5' DA B 6 7.325 8.935 10.702 1.00 1.00 H new ATOM 0 H5'' DA B 6 8.367 7.529 10.627 1.00 1.00 H new ATOM 0 H4' DA B 6 7.108 7.547 8.659 1.00 1.00 H new ATOM 0 H3' DA B 6 9.886 7.415 8.331 1.00 1.00 H new ATOM 0 H2' DA B 6 10.238 9.714 7.839 1.00 1.00 H new ATOM 0 H2'' DA B 6 9.915 9.084 6.236 1.00 1.00 H new ATOM 0 H1' DA B 6 7.769 9.955 6.162 1.00 1.00 H new ATOM 0 H8 DA B 6 9.976 11.550 8.863 1.00 1.00 H new ATOM 0 H61 DA B 6 8.088 16.861 6.166 1.00 1.00 H new ATOM 0 H62 DA B 6 9.217 16.197 7.352 1.00 1.00 H new ATOM 0 H2 DA B 6 5.720 13.616 4.497 1.00 1.00 H new ATOM 950 P DT B 7 9.431 6.346 5.670 1.00 1.00 P ATOM 951 OP1 DT B 7 8.920 4.990 5.327 1.00 1.00 O ATOM 952 OP2 DT B 7 10.888 6.511 5.936 1.00 1.00 O ATOM 953 O5' DT B 7 8.978 7.380 4.505 1.00 1.00 O ATOM 954 C5' DT B 7 7.603 7.508 4.167 1.00 1.00 C ATOM 955 C4' DT B 7 7.320 8.644 3.177 1.00 1.00 C ATOM 956 O4' DT B 7 7.651 9.898 3.755 1.00 1.00 O ATOM 957 C3' DT B 7 8.079 8.504 1.847 1.00 1.00 C ATOM 958 O3' DT B 7 7.174 8.697 0.767 1.00 1.00 O ATOM 959 C2' DT B 7 9.093 9.632 1.949 1.00 1.00 C ATOM 960 C1' DT B 7 8.304 10.657 2.760 1.00 1.00 C ATOM 961 N1 DT B 7 9.167 11.690 3.379 1.00 1.00 N ATOM 962 C2 DT B 7 8.951 13.032 3.045 1.00 1.00 C ATOM 963 O2 DT B 7 8.134 13.418 2.211 1.00 1.00 O ATOM 964 N3 DT B 7 9.725 13.957 3.701 1.00 1.00 N ATOM 965 C4 DT B 7 10.733 13.682 4.590 1.00 1.00 C ATOM 966 O4 DT B 7 11.349 14.634 5.070 1.00 1.00 O ATOM 967 C5 DT B 7 10.953 12.259 4.853 1.00 1.00 C ATOM 968 C7 DT B 7 12.058 11.821 5.793 1.00 1.00 C ATOM 969 C6 DT B 7 10.175 11.322 4.244 1.00 1.00 C ATOM 0 H5' DT B 7 7.028 7.678 5.077 1.00 1.00 H new ATOM 0 H5'' DT B 7 7.253 6.568 3.739 1.00 1.00 H new ATOM 0 H4' DT B 7 6.254 8.584 2.957 1.00 1.00 H new ATOM 0 H3' DT B 7 8.543 7.533 1.674 1.00 1.00 H new ATOM 0 H2' DT B 7 10.007 9.321 2.455 1.00 1.00 H new ATOM 0 H2'' DT B 7 9.384 10.015 0.971 1.00 1.00 H new ATOM 0 H1' DT B 7 7.616 11.210 2.121 1.00 1.00 H new ATOM 0 H3 DT B 7 9.533 14.940 3.510 1.00 1.00 H new ATOM 0 H71 DT B 7 11.774 10.887 6.278 1.00 1.00 H new ATOM 0 H72 DT B 7 12.978 11.671 5.228 1.00 1.00 H new ATOM 0 H73 DT B 7 12.218 12.589 6.550 1.00 1.00 H new ATOM 0 H6 DT B 7 10.350 10.275 4.442 1.00 1.00 H new ATOM 982 P DA B 8 7.410 8.062 -0.693 1.00 1.00 P ATOM 983 OP1 DA B 8 6.116 8.140 -1.415 1.00 1.00 O ATOM 984 OP2 DA B 8 8.025 6.719 -0.518 1.00 1.00 O ATOM 985 O5' DA B 8 8.465 9.055 -1.397 1.00 1.00 O ATOM 986 C5' DA B 8 8.008 10.224 -2.065 1.00 1.00 C ATOM 987 C4' DA B 8 9.118 11.179 -2.527 1.00 1.00 C ATOM 988 O4' DA B 8 9.522 12.013 -1.451 1.00 1.00 O ATOM 989 C3' DA B 8 10.378 10.509 -3.110 1.00 1.00 C ATOM 990 O3' DA B 8 10.494 10.785 -4.505 1.00 1.00 O ATOM 991 C2' DA B 8 11.499 11.118 -2.267 1.00 1.00 C ATOM 992 C1' DA B 8 10.867 12.367 -1.680 1.00 1.00 C ATOM 993 N9 DA B 8 11.463 12.800 -0.393 1.00 1.00 N ATOM 994 C8 DA B 8 11.697 12.072 0.753 1.00 1.00 C ATOM 995 N7 DA B 8 12.194 12.770 1.746 1.00 1.00 N ATOM 996 C5 DA B 8 12.300 14.059 1.202 1.00 1.00 C ATOM 997 C6 DA B 8 12.733 15.328 1.672 1.00 1.00 C ATOM 998 N6 DA B 8 13.131 15.616 2.899 1.00 1.00 N ATOM 999 N1 DA B 8 12.702 16.400 0.881 1.00 1.00 N ATOM 1000 C2 DA B 8 12.245 16.252 -0.348 1.00 1.00 C ATOM 1001 N3 DA B 8 11.806 15.150 -0.933 1.00 1.00 N ATOM 1002 C4 DA B 8 11.862 14.078 -0.099 1.00 1.00 C ATOM 0 H5' DA B 8 7.336 10.766 -1.400 1.00 1.00 H new ATOM 0 H5'' DA B 8 7.422 9.923 -2.934 1.00 1.00 H new ATOM 0 H4' DA B 8 8.664 11.742 -3.343 1.00 1.00 H new ATOM 0 H3' DA B 8 10.381 9.420 -3.059 1.00 1.00 H new ATOM 0 H2' DA B 8 11.832 10.433 -1.487 1.00 1.00 H new ATOM 0 H2'' DA B 8 12.372 11.358 -2.874 1.00 1.00 H new ATOM 0 H1' DA B 8 11.012 13.201 -2.367 1.00 1.00 H new ATOM 0 H8 DA B 8 11.489 11.015 0.827 1.00 1.00 H new ATOM 0 H61 DA B 8 13.423 16.565 3.131 1.00 1.00 H new ATOM 0 H62 DA B 8 13.146 14.889 3.614 1.00 1.00 H new ATOM 0 H2 DA B 8 12.227 17.146 -0.954 1.00 1.00 H new ATOM 1014 P DT B 9 11.717 10.200 -5.417 1.00 1.00 P ATOM 1015 OP1 DT B 9 11.129 9.709 -6.691 1.00 1.00 O ATOM 1016 OP2 DT B 9 12.582 9.285 -4.620 1.00 1.00 O ATOM 1017 O5' DT B 9 12.536 11.557 -5.720 1.00 1.00 O ATOM 1018 C5' DT B 9 11.939 12.597 -6.491 1.00 1.00 C ATOM 1019 C4' DT B 9 12.823 13.843 -6.642 1.00 1.00 C ATOM 1020 O4' DT B 9 12.917 14.515 -5.391 1.00 1.00 O ATOM 1021 C3' DT B 9 14.228 13.512 -7.161 1.00 1.00 C ATOM 1022 O3' DT B 9 14.542 14.318 -8.294 1.00 1.00 O ATOM 1023 C2' DT B 9 15.092 13.759 -5.926 1.00 1.00 C ATOM 1024 C1' DT B 9 14.279 14.750 -5.092 1.00 1.00 C ATOM 1025 N1 DT B 9 14.506 14.614 -3.628 1.00 1.00 N ATOM 1026 C2 DT B 9 14.815 15.770 -2.896 1.00 1.00 C ATOM 1027 O2 DT B 9 14.810 16.913 -3.365 1.00 1.00 O ATOM 1028 N3 DT B 9 15.143 15.596 -1.570 1.00 1.00 N ATOM 1029 C4 DT B 9 15.172 14.391 -0.907 1.00 1.00 C ATOM 1030 O4 DT B 9 15.440 14.386 0.293 1.00 1.00 O ATOM 1031 C5 DT B 9 14.839 13.223 -1.722 1.00 1.00 C ATOM 1032 C7 DT B 9 14.887 11.836 -1.109 1.00 1.00 C ATOM 1033 C6 DT B 9 14.496 13.368 -3.027 1.00 1.00 C ATOM 0 H5' DT B 9 10.997 12.886 -6.026 1.00 1.00 H new ATOM 0 H5'' DT B 9 11.700 12.210 -7.482 1.00 1.00 H new ATOM 0 H4' DT B 9 12.351 14.488 -7.384 1.00 1.00 H new ATOM 0 H3' DT B 9 14.368 12.499 -7.539 1.00 1.00 H new ATOM 0 H2' DT B 9 15.277 12.835 -5.378 1.00 1.00 H new ATOM 0 H2'' DT B 9 16.065 14.170 -6.196 1.00 1.00 H new ATOM 0 H1' DT B 9 14.591 15.763 -5.346 1.00 1.00 H new ATOM 0 H3 DT B 9 15.385 16.430 -1.035 1.00 1.00 H new ATOM 0 H71 DT B 9 14.156 11.195 -1.602 1.00 1.00 H new ATOM 0 H72 DT B 9 15.884 11.415 -1.238 1.00 1.00 H new ATOM 0 H73 DT B 9 14.655 11.900 -0.046 1.00 1.00 H new ATOM 0 H6 DT B 9 14.212 12.500 -3.603 1.00 1.00 H new ATOM 1046 P DG B 10 16.012 14.342 -8.987 1.00 1.00 P ATOM 1047 OP1 DG B 10 15.838 14.668 -10.428 1.00 1.00 O ATOM 1048 OP2 DG B 10 16.760 13.107 -8.624 1.00 1.00 O ATOM 1049 O5' DG B 10 16.711 15.609 -8.261 1.00 1.00 O ATOM 1050 C5' DG B 10 16.152 16.914 -8.387 1.00 1.00 C ATOM 1051 C4' DG B 10 16.992 18.026 -7.731 1.00 1.00 C ATOM 1052 O4' DG B 10 16.923 17.942 -6.307 1.00 1.00 O ATOM 1053 C3' DG B 10 18.473 17.981 -8.156 1.00 1.00 C ATOM 1054 O3' DG B 10 18.944 19.300 -8.426 1.00 1.00 O ATOM 1055 C2' DG B 10 19.099 17.310 -6.933 1.00 1.00 C ATOM 1056 C1' DG B 10 18.240 17.841 -5.788 1.00 1.00 C ATOM 1057 N9 DG B 10 18.259 16.948 -4.614 1.00 1.00 N ATOM 1058 C8 DG B 10 18.084 15.594 -4.607 1.00 1.00 C ATOM 1059 N7 DG B 10 18.088 15.045 -3.421 1.00 1.00 N ATOM 1060 C5 DG B 10 18.343 16.135 -2.571 1.00 1.00 C ATOM 1061 C6 DG B 10 18.517 16.204 -1.141 1.00 1.00 C ATOM 1062 O6 DG B 10 18.399 15.313 -0.300 1.00 1.00 O ATOM 1063 N1 DG B 10 18.874 17.454 -0.691 1.00 1.00 N ATOM 1064 C2 DG B 10 19.001 18.530 -1.499 1.00 1.00 C ATOM 1065 N2 DG B 10 19.368 19.641 -0.923 1.00 1.00 N ATOM 1066 N3 DG B 10 18.801 18.537 -2.817 1.00 1.00 N ATOM 1067 C4 DG B 10 18.480 17.300 -3.300 1.00 1.00 C ATOM 0 H5' DG B 10 15.157 16.915 -7.942 1.00 1.00 H new ATOM 0 H5'' DG B 10 16.028 17.144 -9.445 1.00 1.00 H new ATOM 0 H4' DG B 10 16.565 18.968 -8.075 1.00 1.00 H new ATOM 0 H3' DG B 10 18.703 17.446 -9.077 1.00 1.00 H new ATOM 0 H2' DG B 10 19.057 16.223 -7.001 1.00 1.00 H new ATOM 0 H2'' DG B 10 20.148 17.582 -6.813 1.00 1.00 H new ATOM 0 H1' DG B 10 18.623 18.800 -5.440 1.00 1.00 H new ATOM 0 H8 DG B 10 17.952 15.020 -5.513 1.00 1.00 H new ATOM 0 H1 DG B 10 19.052 17.575 0.306 1.00 1.00 H new ATOM 0 H21 DG B 10 19.482 20.489 -1.478 1.00 1.00 H new ATOM 0 H22 DG B 10 19.541 19.661 0.082 1.00 1.00 H new ATOM 1079 P DC B 11 20.447 19.616 -8.966 1.00 1.00 P ATOM 1080 OP1 DC B 11 20.347 20.717 -9.969 1.00 1.00 O ATOM 1081 OP2 DC B 11 21.113 18.347 -9.376 1.00 1.00 O ATOM 1082 O5' DC B 11 21.210 20.188 -7.650 1.00 1.00 O ATOM 1083 C5' DC B 11 20.802 21.421 -7.056 1.00 1.00 C ATOM 1084 C4' DC B 11 21.654 21.865 -5.851 1.00 1.00 C ATOM 1085 O4' DC B 11 21.430 21.002 -4.738 1.00 1.00 O ATOM 1086 C3' DC B 11 23.163 21.902 -6.155 1.00 1.00 C ATOM 1087 O3' DC B 11 23.746 23.102 -5.637 1.00 1.00 O ATOM 1088 C2' DC B 11 23.650 20.617 -5.482 1.00 1.00 C ATOM 1089 C1' DC B 11 22.662 20.437 -4.325 1.00 1.00 C ATOM 1090 N1 DC B 11 22.434 19.034 -3.893 1.00 1.00 N ATOM 1091 C2 DC B 11 22.456 18.704 -2.530 1.00 1.00 C ATOM 1092 O2 DC B 11 22.765 19.518 -1.658 1.00 1.00 O ATOM 1093 N3 DC B 11 22.143 17.453 -2.115 1.00 1.00 N ATOM 1094 C4 DC B 11 21.819 16.557 -3.024 1.00 1.00 C ATOM 1095 N4 DC B 11 21.470 15.389 -2.568 1.00 1.00 N ATOM 1096 C5 DC B 11 21.813 16.815 -4.421 1.00 1.00 C ATOM 1097 C6 DC B 11 22.123 18.076 -4.814 1.00 1.00 C ATOM 0 H5' DC B 11 19.764 21.329 -6.736 1.00 1.00 H new ATOM 0 H5'' DC B 11 20.834 22.203 -7.815 1.00 1.00 H new ATOM 0 H4' DC B 11 21.338 22.882 -5.618 1.00 1.00 H new ATOM 0 H3' DC B 11 23.432 21.929 -7.211 1.00 1.00 H new ATOM 0 H2' DC B 11 23.628 19.769 -6.167 1.00 1.00 H new ATOM 0 H2'' DC B 11 24.676 20.712 -5.126 1.00 1.00 H new ATOM 0 H1' DC B 11 23.097 20.930 -3.455 1.00 1.00 H new ATOM 0 H41 DC B 11 21.206 14.647 -3.216 1.00 1.00 H new ATOM 0 H42 DC B 11 21.460 15.216 -1.563 1.00 1.00 H new ATOM 0 H5 DC B 11 21.573 16.043 -5.137 1.00 1.00 H new ATOM 0 H6 DC B 11 22.124 18.324 -5.865 1.00 1.00 H new ATOM 1109 P DG B 12 25.264 23.564 -5.997 1.00 1.00 P ATOM 1110 OP1 DG B 12 25.380 25.019 -5.697 1.00 1.00 O ATOM 1111 OP2 DG B 12 25.605 23.098 -7.370 1.00 1.00 O ATOM 1112 O5' DG B 12 26.189 22.749 -4.944 1.00 1.00 O ATOM 1113 C5' DG B 12 26.186 23.070 -3.556 1.00 1.00 C ATOM 1114 C4' DG B 12 26.791 21.961 -2.682 1.00 1.00 C ATOM 1115 O4' DG B 12 25.939 20.830 -2.627 1.00 1.00 O ATOM 1116 C3' DG B 12 28.169 21.445 -3.137 1.00 1.00 C ATOM 1117 O3' DG B 12 29.261 22.105 -2.495 1.00 1.00 O ATOM 1118 C2' DG B 12 28.139 19.967 -2.742 1.00 1.00 C ATOM 1119 C1' DG B 12 26.728 19.745 -2.182 1.00 1.00 C ATOM 1120 N9 DG B 12 26.138 18.470 -2.630 1.00 1.00 N ATOM 1121 C8 DG B 12 25.890 18.072 -3.914 1.00 1.00 C ATOM 1122 N7 DG B 12 25.398 16.864 -4.019 1.00 1.00 N ATOM 1123 C5 DG B 12 25.326 16.424 -2.687 1.00 1.00 C ATOM 1124 C6 DG B 12 24.884 15.180 -2.102 1.00 1.00 C ATOM 1125 O6 DG B 12 24.439 14.163 -2.639 1.00 1.00 O ATOM 1126 N1 DG B 12 24.990 15.152 -0.731 1.00 1.00 N ATOM 1127 C2 DG B 12 25.493 16.165 0.012 1.00 1.00 C ATOM 1128 N2 DG B 12 25.585 15.965 1.297 1.00 1.00 N ATOM 1129 N3 DG B 12 25.905 17.332 -0.470 1.00 1.00 N ATOM 1130 C4 DG B 12 25.792 17.404 -1.833 1.00 1.00 C ATOM 0 H5' DG B 12 25.162 23.260 -3.235 1.00 1.00 H new ATOM 0 H5'' DG B 12 26.745 23.993 -3.401 1.00 1.00 H new ATOM 0 H4' DG B 12 26.909 22.444 -1.712 1.00 1.00 H new ATOM 0 H3' DG B 12 28.328 21.624 -4.200 1.00 1.00 H new ATOM 0 H2' DG B 12 28.331 19.323 -3.600 1.00 1.00 H new ATOM 0 H2'' DG B 12 28.902 19.740 -1.997 1.00 1.00 H new ATOM 0 HO3' DG B 12 30.106 21.734 -2.823 1.00 1.00 H new ATOM 0 H1' DG B 12 26.771 19.692 -1.094 1.00 1.00 H new ATOM 0 H8 DG B 12 26.084 18.702 -4.770 1.00 1.00 H new ATOM 0 H1 DG B 12 24.669 14.315 -0.244 1.00 1.00 H new ATOM 0 H21 DG B 12 25.958 16.697 1.902 1.00 1.00 H new ATOM 0 H22 DG B 12 25.284 15.076 1.698 1.00 1.00 H new TER 1143 DG B 12 ATOM 1144 O5' DC C 13 23.002 7.970 4.756 1.00 1.00 O ATOM 1145 C5' DC C 13 24.315 8.106 5.308 1.00 1.00 C ATOM 1146 C4' DC C 13 24.787 9.566 5.454 1.00 1.00 C ATOM 1147 O4' DC C 13 24.940 10.184 4.177 1.00 1.00 O ATOM 1148 C3' DC C 13 23.806 10.403 6.287 1.00 1.00 C ATOM 1149 O3' DC C 13 24.507 11.213 7.232 1.00 1.00 O ATOM 1150 C2' DC C 13 23.079 11.205 5.208 1.00 1.00 C ATOM 1151 C1' DC C 13 24.177 11.378 4.156 1.00 1.00 C ATOM 1152 N1 DC C 13 23.705 11.659 2.774 1.00 1.00 N ATOM 1153 C2 DC C 13 24.291 12.690 2.025 1.00 1.00 C ATOM 1154 O2 DC C 13 25.116 13.467 2.508 1.00 1.00 O ATOM 1155 N3 DC C 13 23.975 12.868 0.717 1.00 1.00 N ATOM 1156 C4 DC C 13 23.064 12.080 0.183 1.00 1.00 C ATOM 1157 N4 DC C 13 22.836 12.258 -1.088 1.00 1.00 N ATOM 1158 C5 DC C 13 22.414 11.035 0.898 1.00 1.00 C ATOM 1159 C6 DC C 13 22.769 10.856 2.192 1.00 1.00 C ATOM 0 H5' DC C 13 25.021 7.568 4.675 1.00 1.00 H new ATOM 0 H5'' DC C 13 24.337 7.628 6.288 1.00 1.00 H new ATOM 0 H4' DC C 13 25.748 9.530 5.967 1.00 1.00 H new ATOM 0 H3' DC C 13 23.117 9.827 6.905 1.00 1.00 H new ATOM 0 H2' DC C 13 22.215 10.671 4.813 1.00 1.00 H new ATOM 0 H2'' DC C 13 22.718 12.162 5.583 1.00 1.00 H new ATOM 0 HO5' DC C 13 22.771 7.020 4.691 1.00 1.00 H new ATOM 0 H1' DC C 13 24.752 12.266 4.419 1.00 1.00 H new ATOM 0 H41 DC C 13 22.143 11.683 -1.567 1.00 1.00 H new ATOM 0 H42 DC C 13 23.350 12.972 -1.603 1.00 1.00 H new ATOM 0 H5 DC C 13 21.669 10.411 0.428 1.00 1.00 H new ATOM 0 H6 DC C 13 22.306 10.069 2.769 1.00 1.00 H new ATOM 1172 P DG C 14 23.747 12.101 8.362 1.00 1.00 P ATOM 1173 OP1 DG C 14 24.564 12.042 9.606 1.00 1.00 O ATOM 1174 OP2 DG C 14 22.322 11.676 8.440 1.00 1.00 O ATOM 1175 O5' DG C 14 23.780 13.622 7.786 1.00 1.00 O ATOM 1176 C5' DG C 14 24.980 14.399 7.804 1.00 1.00 C ATOM 1177 C4' DG C 14 24.803 15.886 7.438 1.00 1.00 C ATOM 1178 O4' DG C 14 24.655 16.054 6.026 1.00 1.00 O ATOM 1179 C3' DG C 14 23.603 16.545 8.141 1.00 1.00 C ATOM 1180 O3' DG C 14 23.969 17.850 8.598 1.00 1.00 O ATOM 1181 C2' DG C 14 22.560 16.528 7.021 1.00 1.00 C ATOM 1182 C1' DG C 14 23.404 16.673 5.758 1.00 1.00 C ATOM 1183 N9 DG C 14 22.799 16.037 4.572 1.00 1.00 N ATOM 1184 C8 DG C 14 22.189 14.816 4.502 1.00 1.00 C ATOM 1185 N7 DG C 14 21.807 14.463 3.306 1.00 1.00 N ATOM 1186 C5 DG C 14 22.162 15.571 2.520 1.00 1.00 C ATOM 1187 C6 DG C 14 21.990 15.840 1.116 1.00 1.00 C ATOM 1188 O6 DG C 14 21.528 15.120 0.234 1.00 1.00 O ATOM 1189 N1 DG C 14 22.410 17.094 0.737 1.00 1.00 N ATOM 1190 C2 DG C 14 22.977 17.981 1.584 1.00 1.00 C ATOM 1191 N2 DG C 14 23.338 19.125 1.071 1.00 1.00 N ATOM 1192 N3 DG C 14 23.196 17.774 2.879 1.00 1.00 N ATOM 1193 C4 DG C 14 22.753 16.547 3.295 1.00 1.00 C ATOM 0 H5' DG C 14 25.693 13.953 7.111 1.00 1.00 H new ATOM 0 H5'' DG C 14 25.420 14.336 8.799 1.00 1.00 H new ATOM 0 H4' DG C 14 25.710 16.381 7.785 1.00 1.00 H new ATOM 0 H3' DG C 14 23.236 16.054 9.042 1.00 1.00 H new ATOM 0 H2' DG C 14 21.987 15.601 7.018 1.00 1.00 H new ATOM 0 H2'' DG C 14 21.845 17.344 7.124 1.00 1.00 H new ATOM 0 H1' DG C 14 23.495 17.734 5.524 1.00 1.00 H new ATOM 0 H8 DG C 14 22.035 14.192 5.370 1.00 1.00 H new ATOM 0 H1 DG C 14 22.287 17.369 -0.237 1.00 1.00 H new ATOM 0 H21 DG C 14 23.772 19.835 1.662 1.00 1.00 H new ATOM 0 H22 DG C 14 23.187 19.310 0.079 1.00 1.00 H new ATOM 1205 P DC C 15 22.955 18.827 9.413 1.00 1.00 P ATOM 1206 OP1 DC C 15 23.780 19.817 10.162 1.00 1.00 O ATOM 1207 OP2 DC C 15 21.986 17.993 10.177 1.00 1.00 O ATOM 1208 O5' DC C 15 22.152 19.610 8.241 1.00 1.00 O ATOM 1209 C5' DC C 15 22.836 20.496 7.355 1.00 1.00 C ATOM 1210 C4' DC C 15 22.046 20.816 6.077 1.00 1.00 C ATOM 1211 O4' DC C 15 21.835 19.652 5.292 1.00 1.00 O ATOM 1212 C3' DC C 15 20.672 21.465 6.308 1.00 1.00 C ATOM 1213 O3' DC C 15 20.788 22.886 6.215 1.00 1.00 O ATOM 1214 C2' DC C 15 19.806 20.826 5.214 1.00 1.00 C ATOM 1215 C1' DC C 15 20.754 19.927 4.428 1.00 1.00 C ATOM 1216 N1 DC C 15 20.098 18.679 3.982 1.00 1.00 N ATOM 1217 C2 DC C 15 19.774 18.507 2.629 1.00 1.00 C ATOM 1218 O2 DC C 15 19.968 19.381 1.782 1.00 1.00 O ATOM 1219 N3 DC C 15 19.242 17.345 2.192 1.00 1.00 N ATOM 1220 C4 DC C 15 19.002 16.399 3.075 1.00 1.00 C ATOM 1221 N4 DC C 15 18.511 15.298 2.581 1.00 1.00 N ATOM 1222 C5 DC C 15 19.258 16.531 4.471 1.00 1.00 C ATOM 1223 C6 DC C 15 19.803 17.702 4.889 1.00 1.00 C ATOM 0 H5' DC C 15 23.793 20.054 7.080 1.00 1.00 H new ATOM 0 H5'' DC C 15 23.054 21.426 7.880 1.00 1.00 H new ATOM 0 H4' DC C 15 22.678 21.541 5.564 1.00 1.00 H new ATOM 0 H3' DC C 15 20.236 21.299 7.293 1.00 1.00 H new ATOM 0 H2' DC C 15 18.986 20.252 5.646 1.00 1.00 H new ATOM 0 H2'' DC C 15 19.360 21.585 4.571 1.00 1.00 H new ATOM 0 H1' DC C 15 21.084 20.423 3.515 1.00 1.00 H new ATOM 0 H41 DC C 15 18.296 14.514 3.197 1.00 1.00 H new ATOM 0 H42 DC C 15 18.342 15.220 1.578 1.00 1.00 H new ATOM 0 H5 DC C 15 19.029 15.736 5.165 1.00 1.00 H new ATOM 0 H6 DC C 15 20.003 17.861 5.938 1.00 1.00 H new ATOM 1235 P DA C 16 19.529 23.902 6.376 1.00 1.00 P ATOM 1236 OP1 DA C 16 20.078 25.258 6.664 1.00 1.00 O ATOM 1237 OP2 DA C 16 18.553 23.315 7.337 1.00 1.00 O ATOM 1238 O5' DA C 16 18.843 23.930 4.904 1.00 1.00 O ATOM 1239 C5' DA C 16 19.593 24.305 3.752 1.00 1.00 C ATOM 1240 C4' DA C 16 18.811 24.209 2.428 1.00 1.00 C ATOM 1241 O4' DA C 16 18.617 22.857 2.009 1.00 1.00 O ATOM 1242 C3' DA C 16 17.436 24.900 2.503 1.00 1.00 C ATOM 1243 O3' DA C 16 17.247 25.756 1.375 1.00 1.00 O ATOM 1244 C2' DA C 16 16.512 23.685 2.558 1.00 1.00 C ATOM 1245 C1' DA C 16 17.248 22.677 1.682 1.00 1.00 C ATOM 1246 N9 DA C 16 16.860 21.290 1.995 1.00 1.00 N ATOM 1247 C8 DA C 16 16.879 20.712 3.230 1.00 1.00 C ATOM 1248 N7 DA C 16 16.639 19.427 3.236 1.00 1.00 N ATOM 1249 C5 DA C 16 16.361 19.169 1.880 1.00 1.00 C ATOM 1250 C6 DA C 16 15.979 18.023 1.143 1.00 1.00 C ATOM 1251 N6 DA C 16 15.874 16.816 1.658 1.00 1.00 N ATOM 1252 N1 DA C 16 15.664 18.094 -0.153 1.00 1.00 N ATOM 1253 C2 DA C 16 15.747 19.277 -0.741 1.00 1.00 C ATOM 1254 N3 DA C 16 16.144 20.429 -0.203 1.00 1.00 N ATOM 1255 C4 DA C 16 16.438 20.308 1.124 1.00 1.00 C ATOM 0 H5' DA C 16 20.477 23.670 3.686 1.00 1.00 H new ATOM 0 H5'' DA C 16 19.945 25.329 3.879 1.00 1.00 H new ATOM 0 H4' DA C 16 19.431 24.727 1.696 1.00 1.00 H new ATOM 0 H3' DA C 16 17.273 25.575 3.343 1.00 1.00 H new ATOM 0 H2' DA C 16 16.381 23.319 3.576 1.00 1.00 H new ATOM 0 H2'' DA C 16 15.519 23.912 2.171 1.00 1.00 H new ATOM 0 H1' DA C 16 17.021 22.836 0.628 1.00 1.00 H new ATOM 0 H8 DA C 16 17.077 21.272 4.132 1.00 1.00 H new ATOM 0 H61 DA C 16 15.593 16.033 1.068 1.00 1.00 H new ATOM 0 H62 DA C 16 16.074 16.664 2.647 1.00 1.00 H new ATOM 0 H2 DA C 16 15.458 19.312 -1.781 1.00 1.00 H new ATOM 1267 P DT C 17 15.964 26.745 1.234 1.00 1.00 P ATOM 1268 OP1 DT C 17 16.321 27.823 0.267 1.00 1.00 O ATOM 1269 OP2 DT C 17 15.502 27.145 2.594 1.00 1.00 O ATOM 1270 O5' DT C 17 14.822 25.809 0.562 1.00 1.00 O ATOM 1271 C5' DT C 17 14.969 25.325 -0.770 1.00 1.00 C ATOM 1272 C4' DT C 17 13.900 24.295 -1.170 1.00 1.00 C ATOM 1273 O4' DT C 17 14.104 23.057 -0.500 1.00 1.00 O ATOM 1274 C3' DT C 17 12.451 24.758 -0.912 1.00 1.00 C ATOM 1275 O3' DT C 17 11.744 24.811 -2.148 1.00 1.00 O ATOM 1276 C2' DT C 17 11.949 23.696 0.074 1.00 1.00 C ATOM 1277 C1' DT C 17 12.830 22.495 -0.264 1.00 1.00 C ATOM 1278 N1 DT C 17 12.913 21.461 0.804 1.00 1.00 N ATOM 1279 C2 DT C 17 12.736 20.115 0.442 1.00 1.00 C ATOM 1280 O2 DT C 17 12.483 19.720 -0.700 1.00 1.00 O ATOM 1281 N3 DT C 17 12.865 19.192 1.448 1.00 1.00 N ATOM 1282 C4 DT C 17 13.140 19.452 2.766 1.00 1.00 C ATOM 1283 O4 DT C 17 13.262 18.498 3.534 1.00 1.00 O ATOM 1284 C5 DT C 17 13.280 20.871 3.089 1.00 1.00 C ATOM 1285 C7 DT C 17 13.550 21.310 4.514 1.00 1.00 C ATOM 1286 C6 DT C 17 13.179 21.812 2.115 1.00 1.00 C ATOM 0 H5' DT C 17 15.955 24.873 -0.877 1.00 1.00 H new ATOM 0 H5'' DT C 17 14.927 26.167 -1.461 1.00 1.00 H new ATOM 0 H4' DT C 17 14.020 24.176 -2.247 1.00 1.00 H new ATOM 0 H3' DT C 17 12.330 25.760 -0.501 1.00 1.00 H new ATOM 0 H2' DT C 17 12.073 24.012 1.110 1.00 1.00 H new ATOM 0 H2'' DT C 17 10.891 23.477 -0.068 1.00 1.00 H new ATOM 0 H1' DT C 17 12.411 21.956 -1.113 1.00 1.00 H new ATOM 0 H3 DT C 17 12.744 18.213 1.190 1.00 1.00 H new ATOM 0 H71 DT C 17 14.126 22.235 4.507 1.00 1.00 H new ATOM 0 H72 DT C 17 12.604 21.476 5.029 1.00 1.00 H new ATOM 0 H73 DT C 17 14.115 20.535 5.033 1.00 1.00 H new ATOM 0 H6 DT C 17 13.309 22.854 2.369 1.00 1.00 H new ATOM 1299 P DA C 18 10.217 25.344 -2.262 1.00 1.00 P ATOM 1300 OP1 DA C 18 9.971 25.725 -3.683 1.00 1.00 O ATOM 1301 OP2 DA C 18 9.966 26.362 -1.201 1.00 1.00 O ATOM 1302 O5' DA C 18 9.348 24.021 -1.925 1.00 1.00 O ATOM 1303 C5' DA C 18 9.445 22.864 -2.745 1.00 1.00 C ATOM 1304 C4' DA C 18 8.565 21.695 -2.283 1.00 1.00 C ATOM 1305 O4' DA C 18 9.190 20.933 -1.261 1.00 1.00 O ATOM 1306 C3' DA C 18 7.163 22.087 -1.790 1.00 1.00 C ATOM 1307 O3' DA C 18 6.264 21.508 -2.729 1.00 1.00 O ATOM 1308 C2' DA C 18 7.145 21.529 -0.362 1.00 1.00 C ATOM 1309 C1' DA C 18 8.184 20.416 -0.414 1.00 1.00 C ATOM 1310 N9 DA C 18 8.815 20.044 0.868 1.00 1.00 N ATOM 1311 C8 DA C 18 9.180 20.847 1.915 1.00 1.00 C ATOM 1312 N7 DA C 18 9.707 20.207 2.933 1.00 1.00 N ATOM 1313 C5 DA C 18 9.663 18.868 2.516 1.00 1.00 C ATOM 1314 C6 DA C 18 9.997 17.612 3.089 1.00 1.00 C ATOM 1315 N6 DA C 18 10.463 17.399 4.305 1.00 1.00 N ATOM 1316 N1 DA C 18 9.856 16.482 2.403 1.00 1.00 N ATOM 1317 C2 DA C 18 9.411 16.556 1.162 1.00 1.00 C ATOM 1318 N3 DA C 18 9.024 17.636 0.502 1.00 1.00 N ATOM 1319 C4 DA C 18 9.165 18.770 1.244 1.00 1.00 C ATOM 0 H5' DA C 18 10.484 22.535 -2.770 1.00 1.00 H new ATOM 0 H5'' DA C 18 9.170 23.131 -3.766 1.00 1.00 H new ATOM 0 H4' DA C 18 8.440 21.105 -3.191 1.00 1.00 H new ATOM 0 H3' DA C 18 6.887 23.140 -1.739 1.00 1.00 H new ATOM 0 H2' DA C 18 7.407 22.291 0.372 1.00 1.00 H new ATOM 0 H2'' DA C 18 6.160 21.149 -0.090 1.00 1.00 H new ATOM 0 H1' DA C 18 7.689 19.502 -0.742 1.00 1.00 H new ATOM 0 H8 DA C 18 9.046 21.919 1.904 1.00 1.00 H new ATOM 0 H61 DA C 18 10.670 16.449 4.613 1.00 1.00 H new ATOM 0 H62 DA C 18 10.617 18.185 4.937 1.00 1.00 H new ATOM 0 H2 DA C 18 9.356 15.623 0.620 1.00 1.00 H new ATOM 1331 P DT C 19 4.676 21.620 -2.625 1.00 1.00 P ATOM 1332 OP1 DT C 19 4.126 21.316 -3.966 1.00 1.00 O ATOM 1333 OP2 DT C 19 4.275 22.862 -1.930 1.00 1.00 O ATOM 1334 O5' DT C 19 4.380 20.363 -1.734 1.00 1.00 O ATOM 1335 C5' DT C 19 4.651 19.048 -2.193 1.00 1.00 C ATOM 1336 C4' DT C 19 4.078 18.050 -1.191 1.00 1.00 C ATOM 1337 O4' DT C 19 5.048 17.862 -0.175 1.00 1.00 O ATOM 1338 C3' DT C 19 2.786 18.566 -0.512 1.00 1.00 C ATOM 1339 O3' DT C 19 1.803 17.575 -0.371 1.00 1.00 O ATOM 1340 C2' DT C 19 3.285 18.949 0.866 1.00 1.00 C ATOM 1341 C1' DT C 19 4.358 17.873 1.047 1.00 1.00 C ATOM 1342 N1 DT C 19 5.314 18.081 2.157 1.00 1.00 N ATOM 1343 C2 DT C 19 5.691 16.963 2.911 1.00 1.00 C ATOM 1344 O2 DT C 19 5.338 15.811 2.656 1.00 1.00 O ATOM 1345 N3 DT C 19 6.480 17.203 4.009 1.00 1.00 N ATOM 1346 C4 DT C 19 6.844 18.442 4.484 1.00 1.00 C ATOM 1347 O4 DT C 19 7.509 18.495 5.516 1.00 1.00 O ATOM 1348 C5 DT C 19 6.388 19.571 3.668 1.00 1.00 C ATOM 1349 C7 DT C 19 6.669 21.003 4.090 1.00 1.00 C ATOM 1350 C6 DT C 19 5.694 19.350 2.522 1.00 1.00 C ATOM 0 H5' DT C 19 5.725 18.900 -2.301 1.00 1.00 H new ATOM 0 H5'' DT C 19 4.207 18.893 -3.176 1.00 1.00 H new ATOM 0 H4' DT C 19 3.836 17.132 -1.727 1.00 1.00 H new ATOM 0 H3' DT C 19 2.317 19.362 -1.090 1.00 1.00 H new ATOM 0 H2' DT C 19 3.693 19.959 0.899 1.00 1.00 H new ATOM 0 H2'' DT C 19 2.505 18.896 1.625 1.00 1.00 H new ATOM 0 H1' DT C 19 3.869 16.936 1.315 1.00 1.00 H new ATOM 0 H3 DT C 19 6.827 16.390 4.518 1.00 1.00 H new ATOM 0 H71 DT C 19 6.757 21.633 3.205 1.00 1.00 H new ATOM 0 H72 DT C 19 5.852 21.366 4.713 1.00 1.00 H new ATOM 0 H73 DT C 19 7.600 21.040 4.656 1.00 1.00 H new ATOM 0 H6 DT C 19 5.437 20.185 1.887 1.00 1.00 H new ATOM 1363 P DA C 20 0.803 17.237 -1.584 1.00 1.00 P ATOM 1364 OP1 DA C 20 1.593 17.224 -2.842 1.00 1.00 O ATOM 1365 OP2 DA C 20 -0.367 18.153 -1.491 1.00 1.00 O ATOM 1366 O5' DA C 20 0.420 15.746 -1.138 1.00 1.00 O ATOM 1367 C5' DA C 20 -0.334 15.547 0.044 1.00 1.00 C ATOM 1368 C4' DA C 20 0.019 14.221 0.720 1.00 1.00 C ATOM 1369 O4' DA C 20 1.283 14.347 1.380 1.00 1.00 O ATOM 1370 C3' DA C 20 -1.050 13.967 1.786 1.00 1.00 C ATOM 1371 O3' DA C 20 -1.426 12.599 1.839 1.00 1.00 O ATOM 1372 C2' DA C 20 -0.349 14.507 3.027 1.00 1.00 C ATOM 1373 C1' DA C 20 1.130 14.246 2.785 1.00 1.00 C ATOM 1374 N9 DA C 20 1.926 15.287 3.480 1.00 1.00 N ATOM 1375 C8 DA C 20 2.009 16.613 3.140 1.00 1.00 C ATOM 1376 N7 DA C 20 2.665 17.363 3.981 1.00 1.00 N ATOM 1377 C5 DA C 20 3.060 16.441 4.956 1.00 1.00 C ATOM 1378 C6 DA C 20 3.821 16.540 6.144 1.00 1.00 C ATOM 1379 N6 DA C 20 4.363 17.663 6.564 1.00 1.00 N ATOM 1380 N1 DA C 20 4.056 15.478 6.918 1.00 1.00 N ATOM 1381 C2 DA C 20 3.551 14.321 6.512 1.00 1.00 C ATOM 1382 N3 DA C 20 2.821 14.062 5.428 1.00 1.00 N ATOM 1383 C4 DA C 20 2.616 15.177 4.672 1.00 1.00 C ATOM 0 H5' DA C 20 -1.397 15.563 -0.195 1.00 1.00 H new ATOM 0 H5'' DA C 20 -0.151 16.369 0.736 1.00 1.00 H new ATOM 0 H4' DA C 20 0.066 13.414 -0.012 1.00 1.00 H new ATOM 0 H3' DA C 20 -2.015 14.446 1.618 1.00 1.00 H new ATOM 0 H2' DA C 20 -0.546 15.571 3.161 1.00 1.00 H new ATOM 0 H2'' DA C 20 -0.697 14.003 3.928 1.00 1.00 H new ATOM 0 H1' DA C 20 1.466 13.278 3.158 1.00 1.00 H new ATOM 0 H8 DA C 20 1.563 17.008 2.239 1.00 1.00 H new ATOM 0 H61 DA C 20 4.903 17.676 7.429 1.00 1.00 H new ATOM 0 H62 DA C 20 4.243 18.520 6.024 1.00 1.00 H new ATOM 0 H2 DA C 20 3.760 13.473 7.147 1.00 1.00 H new ATOM 1395 P DT C 21 -2.751 12.134 2.640 1.00 1.00 P ATOM 1396 OP1 DT C 21 -3.185 10.808 2.131 1.00 1.00 O ATOM 1397 OP2 DT C 21 -3.729 13.256 2.576 1.00 1.00 O ATOM 1398 O5' DT C 21 -2.230 11.980 4.159 1.00 1.00 O ATOM 1399 C5' DT C 21 -1.264 10.987 4.485 1.00 1.00 C ATOM 1400 C4' DT C 21 -1.029 10.829 5.994 1.00 1.00 C ATOM 1401 O4' DT C 21 -0.174 11.856 6.477 1.00 1.00 O ATOM 1402 C3' DT C 21 -2.328 10.866 6.802 1.00 1.00 C ATOM 1403 O3' DT C 21 -2.262 9.863 7.802 1.00 1.00 O ATOM 1404 C2' DT C 21 -2.337 12.281 7.362 1.00 1.00 C ATOM 1405 C1' DT C 21 -0.845 12.570 7.501 1.00 1.00 C ATOM 1406 N1 DT C 21 -0.449 14.008 7.426 1.00 1.00 N ATOM 1407 C2 DT C 21 0.532 14.439 8.328 1.00 1.00 C ATOM 1408 O2 DT C 21 1.027 13.718 9.192 1.00 1.00 O ATOM 1409 N3 DT C 21 0.973 15.732 8.214 1.00 1.00 N ATOM 1410 C4 DT C 21 0.515 16.651 7.302 1.00 1.00 C ATOM 1411 O4 DT C 21 1.027 17.769 7.291 1.00 1.00 O ATOM 1412 C5 DT C 21 -0.540 16.165 6.414 1.00 1.00 C ATOM 1413 C7 DT C 21 -1.155 17.107 5.395 1.00 1.00 C ATOM 1414 C6 DT C 21 -0.975 14.878 6.489 1.00 1.00 C ATOM 0 H5' DT C 21 -0.319 11.239 4.003 1.00 1.00 H new ATOM 0 H5'' DT C 21 -1.586 10.030 4.074 1.00 1.00 H new ATOM 0 H4' DT C 21 -0.568 9.850 6.126 1.00 1.00 H new ATOM 0 H3' DT C 21 -3.241 10.663 6.242 1.00 1.00 H new ATOM 0 H2' DT C 21 -2.829 12.984 6.690 1.00 1.00 H new ATOM 0 H2'' DT C 21 -2.856 12.339 8.319 1.00 1.00 H new ATOM 0 H1' DT C 21 -0.567 12.256 8.507 1.00 1.00 H new ATOM 0 H3 DT C 21 1.701 16.037 8.860 1.00 1.00 H new ATOM 0 H71 DT C 21 -1.123 18.127 5.777 1.00 1.00 H new ATOM 0 H72 DT C 21 -0.593 17.051 4.462 1.00 1.00 H new ATOM 0 H73 DT C 21 -2.191 16.820 5.213 1.00 1.00 H new ATOM 0 H6 DT C 21 -1.740 14.532 5.809 1.00 1.00 H new ATOM 1427 P DG C 22 -3.509 9.472 8.721 1.00 1.00 P ATOM 1428 OP1 DG C 22 -3.361 8.031 9.044 1.00 1.00 O ATOM 1429 OP2 DG C 22 -4.776 9.924 8.097 1.00 1.00 O ATOM 1430 O5' DG C 22 -3.228 10.327 10.045 1.00 1.00 O ATOM 1431 C5' DG C 22 -2.149 9.989 10.901 1.00 1.00 C ATOM 1432 C4' DG C 22 -1.898 11.021 12.003 1.00 1.00 C ATOM 1433 O4' DG C 22 -1.297 12.189 11.457 1.00 1.00 O ATOM 1434 C3' DG C 22 -3.166 11.433 12.776 1.00 1.00 C ATOM 1435 O3' DG C 22 -2.926 11.241 14.170 1.00 1.00 O ATOM 1436 C2' DG C 22 -3.320 12.891 12.342 1.00 1.00 C ATOM 1437 C1' DG C 22 -1.869 13.295 12.124 1.00 1.00 C ATOM 1438 N9 DG C 22 -1.721 14.527 11.334 1.00 1.00 N ATOM 1439 C8 DG C 22 -2.347 14.854 10.164 1.00 1.00 C ATOM 1440 N7 DG C 22 -2.018 16.026 9.687 1.00 1.00 N ATOM 1441 C5 DG C 22 -1.116 16.525 10.643 1.00 1.00 C ATOM 1442 C6 DG C 22 -0.397 17.772 10.729 1.00 1.00 C ATOM 1443 O6 DG C 22 -0.348 18.704 9.924 1.00 1.00 O ATOM 1444 N1 DG C 22 0.331 17.909 11.892 1.00 1.00 N ATOM 1445 C2 DG C 22 0.406 16.954 12.844 1.00 1.00 C ATOM 1446 N2 DG C 22 1.141 17.217 13.888 1.00 1.00 N ATOM 1447 N3 DG C 22 -0.202 15.772 12.799 1.00 1.00 N ATOM 1448 C4 DG C 22 -0.956 15.618 11.669 1.00 1.00 C ATOM 0 H5' DG C 22 -1.243 9.878 10.305 1.00 1.00 H new ATOM 0 H5'' DG C 22 -2.349 9.021 11.360 1.00 1.00 H new ATOM 0 H4' DG C 22 -1.232 10.532 12.714 1.00 1.00 H new ATOM 0 H3' DG C 22 -4.077 10.868 12.580 1.00 1.00 H new ATOM 0 H2' DG C 22 -3.914 12.988 11.433 1.00 1.00 H new ATOM 0 H2'' DG C 22 -3.805 13.498 13.107 1.00 1.00 H new ATOM 0 H1' DG C 22 -1.380 13.525 13.070 1.00 1.00 H new ATOM 0 H8 DG C 22 -3.054 14.200 9.675 1.00 1.00 H new ATOM 0 H1 DG C 22 0.841 18.780 12.042 1.00 1.00 H new ATOM 0 H21 DG C 22 1.230 16.529 14.635 1.00 1.00 H new ATOM 0 H22 DG C 22 1.627 18.111 13.958 1.00 1.00 H new ATOM 1460 P DC C 23 -4.039 11.527 15.319 1.00 1.00 P ATOM 1461 OP1 DC C 23 -4.008 10.386 16.279 1.00 1.00 O ATOM 1462 OP2 DC C 23 -5.344 11.886 14.690 1.00 1.00 O ATOM 1463 O5' DC C 23 -3.442 12.844 16.057 1.00 1.00 O ATOM 1464 C5' DC C 23 -2.183 12.792 16.730 1.00 1.00 C ATOM 1465 C4' DC C 23 -1.794 14.093 17.455 1.00 1.00 C ATOM 1466 O4' DC C 23 -1.447 15.105 16.511 1.00 1.00 O ATOM 1467 C3' DC C 23 -2.911 14.617 18.376 1.00 1.00 C ATOM 1468 O3' DC C 23 -2.378 14.999 19.645 1.00 1.00 O ATOM 1469 C2' DC C 23 -3.477 15.770 17.546 1.00 1.00 C ATOM 1470 C1' DC C 23 -2.278 16.236 16.710 1.00 1.00 C ATOM 1471 N1 DC C 23 -2.645 16.816 15.394 1.00 1.00 N ATOM 1472 C2 DC C 23 -2.140 18.066 15.001 1.00 1.00 C ATOM 1473 O2 DC C 23 -1.420 18.747 15.731 1.00 1.00 O ATOM 1474 N3 DC C 23 -2.440 18.584 13.785 1.00 1.00 N ATOM 1475 C4 DC C 23 -3.221 17.882 12.991 1.00 1.00 C ATOM 1476 N4 DC C 23 -3.440 18.405 11.818 1.00 1.00 N ATOM 1477 C5 DC C 23 -3.767 16.611 13.327 1.00 1.00 C ATOM 1478 C6 DC C 23 -3.448 16.110 14.545 1.00 1.00 C ATOM 0 H5' DC C 23 -1.407 12.549 16.004 1.00 1.00 H new ATOM 0 H5'' DC C 23 -2.206 11.979 17.456 1.00 1.00 H new ATOM 0 H4' DC C 23 -0.934 13.854 18.080 1.00 1.00 H new ATOM 0 H3' DC C 23 -3.683 13.895 18.644 1.00 1.00 H new ATOM 0 H2' DC C 23 -4.303 15.442 16.915 1.00 1.00 H new ATOM 0 H2'' DC C 23 -3.859 16.570 18.180 1.00 1.00 H new ATOM 0 H1' DC C 23 -1.779 17.038 17.254 1.00 1.00 H new ATOM 0 H41 DC C 23 -4.035 17.920 11.146 1.00 1.00 H new ATOM 0 H42 DC C 23 -3.016 19.299 11.571 1.00 1.00 H new ATOM 0 H5 DC C 23 -4.406 16.071 12.643 1.00 1.00 H new ATOM 0 H6 DC C 23 -3.831 15.146 14.846 1.00 1.00 H new ATOM 1490 P DG C 24 -3.323 15.298 20.933 1.00 1.00 P ATOM 1491 OP1 DG C 24 -2.477 15.203 22.155 1.00 1.00 O ATOM 1492 OP2 DG C 24 -4.544 14.450 20.855 1.00 1.00 O ATOM 1493 O5' DG C 24 -3.768 16.843 20.735 1.00 1.00 O ATOM 1494 C5' DG C 24 -2.837 17.905 20.925 1.00 1.00 C ATOM 1495 C4' DG C 24 -3.283 19.229 20.288 1.00 1.00 C ATOM 1496 O4' DG C 24 -3.230 19.179 18.870 1.00 1.00 O ATOM 1497 C3' DG C 24 -4.705 19.690 20.644 1.00 1.00 C ATOM 1498 O3' DG C 24 -4.732 20.519 21.806 1.00 1.00 O ATOM 1499 C2' DG C 24 -5.138 20.473 19.402 1.00 1.00 C ATOM 1500 C1' DG C 24 -3.988 20.276 18.407 1.00 1.00 C ATOM 1501 N9 DG C 24 -4.473 20.048 17.032 1.00 1.00 N ATOM 1502 C8 DG C 24 -5.275 19.037 16.584 1.00 1.00 C ATOM 1503 N7 DG C 24 -5.621 19.140 15.327 1.00 1.00 N ATOM 1504 C5 DG C 24 -5.007 20.336 14.916 1.00 1.00 C ATOM 1505 C6 DG C 24 -5.012 21.051 13.660 1.00 1.00 C ATOM 1506 O6 DG C 24 -5.571 20.770 12.599 1.00 1.00 O ATOM 1507 N1 DG C 24 -4.300 22.231 13.694 1.00 1.00 N ATOM 1508 C2 DG C 24 -3.648 22.688 14.788 1.00 1.00 C ATOM 1509 N2 DG C 24 -3.033 23.832 14.680 1.00 1.00 N ATOM 1510 N3 DG C 24 -3.603 22.070 15.963 1.00 1.00 N ATOM 1511 C4 DG C 24 -4.304 20.895 15.965 1.00 1.00 C ATOM 0 H5' DG C 24 -1.875 17.614 20.504 1.00 1.00 H new ATOM 0 H5'' DG C 24 -2.685 18.058 21.993 1.00 1.00 H new ATOM 0 H4' DG C 24 -2.572 19.940 20.707 1.00 1.00 H new ATOM 0 H3' DG C 24 -5.362 18.855 20.886 1.00 1.00 H new ATOM 0 H2' DG C 24 -6.079 20.095 19.002 1.00 1.00 H new ATOM 0 H2'' DG C 24 -5.290 21.528 19.630 1.00 1.00 H new ATOM 0 HO3' DG C 24 -5.655 20.789 21.994 1.00 1.00 H new ATOM 0 H1' DG C 24 -3.379 21.179 18.356 1.00 1.00 H new ATOM 0 H8 DG C 24 -5.596 18.221 17.215 1.00 1.00 H new ATOM 0 H1 DG C 24 -4.262 22.793 12.844 1.00 1.00 H new ATOM 0 H21 DG C 24 -2.528 24.217 15.478 1.00 1.00 H new ATOM 0 H22 DG C 24 -3.057 24.342 13.797 1.00 1.00 H new TER 1524 DG C 24