USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 493 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 NoAdj-H: A 23 HIS HE2 : A 23 HIS NE2 : A 56 ZNZN :(H bumps) USER MOD Set 1.1: A 45 GLN : amide:sc= 1.68 K(o=2.6,f=-3.2) USER MOD Set 1.2: A 47 LYS NZ :NH3+ -102:sc= 0.897 (180deg=1.01) USER MOD Set 2.1: A 24 THR OG1 : rot -100:sc= 0.724 USER MOD Set 2.2: A 27 ASN : amide:sc= 0.0263 K(o=0.75,f=-1.9!) USER MOD Single : A 12 ASN : amide:sc=-0.00818 X(o=-0.0082,f=0.03) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0.0873 K(o=0.087,f=-0.78) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -177:sc= 1.44 (180deg=1.43) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -155:sc= 1.99 (180deg=1.65) USER MOD Single : A 41 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0135) USER MOD Single : A 44 HIS : no HD1:sc= -1.41 X(o=-1.4,f=-1.5) USER MOD Single : A 46 MET CE :methyl 160:sc= -0.108 (180deg=-0.57) USER MOD Single : A 50 THR OG1 : rot -46:sc= 0.283 USER MOD Single : A 53 GLN : amide:sc= -0.147 X(o=-0.15,f=-0.15) USER MOD Single : A 55 ASN : amide:sc= -0.265 X(o=-0.26,f=-0.26) USER MOD Single : B 101 DG O5' : rot -52:sc= 1.71 USER MOD Single : B 102 DT C7 :methyl -30:sc= -0.148 (180deg=-3.69!) USER MOD Single : B 106 DT C7 :methyl 150:sc= -0.34 (180deg=-0.34) USER MOD Single : B 108 DT C7 :methyl -30:sc= -1.77 (180deg=-4.43!) USER MOD Single : B 109 DT C7 :methyl -30:sc= -0.211 (180deg=-1.02) USER MOD Single : B 114 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 12 -14.700 -9.675 -2.730 1.00 0.00 N ATOM 2 CA ASN A 12 -13.705 -9.139 -1.788 1.00 0.00 C ATOM 3 C ASN A 12 -12.376 -8.847 -2.486 1.00 0.00 C ATOM 4 O ASN A 12 -11.972 -9.596 -3.373 1.00 0.00 O ATOM 5 CB ASN A 12 -13.497 -10.082 -0.595 1.00 0.00 C ATOM 6 CG ASN A 12 -12.862 -11.409 -1.009 1.00 0.00 C ATOM 7 OD1 ASN A 12 -13.431 -12.144 -1.813 1.00 0.00 O ATOM 8 ND2 ASN A 12 -11.682 -11.719 -0.468 1.00 0.00 N ATOM 0 HA ASN A 12 -14.098 -8.197 -1.406 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -12.863 -9.594 0.145 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -14.457 -10.275 -0.115 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -11.220 -12.593 -0.718 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -11.242 -11.082 0.196 1.00 0.00 H new ATOM 17 N VAL A 13 -11.697 -7.771 -2.067 1.00 0.00 N ATOM 18 CA VAL A 13 -10.390 -7.365 -2.561 1.00 0.00 C ATOM 19 C VAL A 13 -9.806 -6.362 -1.561 1.00 0.00 C ATOM 20 O VAL A 13 -10.238 -5.214 -1.510 1.00 0.00 O ATOM 21 CB VAL A 13 -10.492 -6.821 -4.002 1.00 0.00 C ATOM 22 CG1 VAL A 13 -11.370 -5.570 -4.151 1.00 0.00 C ATOM 23 CG2 VAL A 13 -9.096 -6.538 -4.562 1.00 0.00 C ATOM 0 H VAL A 13 -12.061 -7.143 -1.350 1.00 0.00 H new ATOM 0 HA VAL A 13 -9.710 -8.214 -2.630 1.00 0.00 H new ATOM 0 HB VAL A 13 -10.986 -7.607 -4.574 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -11.384 -5.258 -5.195 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -12.385 -5.797 -3.826 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -10.964 -4.766 -3.537 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.183 -6.155 -5.579 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.596 -5.798 -3.937 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.513 -7.459 -4.570 1.00 0.00 H new ATOM 33 N LYS A 14 -8.854 -6.804 -0.730 1.00 0.00 N ATOM 34 CA LYS A 14 -8.297 -5.983 0.339 1.00 0.00 C ATOM 35 C LYS A 14 -7.645 -4.706 -0.199 1.00 0.00 C ATOM 36 O LYS A 14 -6.709 -4.751 -0.996 1.00 0.00 O ATOM 37 CB LYS A 14 -7.350 -6.795 1.235 1.00 0.00 C ATOM 38 CG LYS A 14 -6.316 -7.636 0.476 1.00 0.00 C ATOM 39 CD LYS A 14 -5.185 -8.103 1.402 1.00 0.00 C ATOM 40 CE LYS A 14 -5.714 -8.891 2.607 1.00 0.00 C ATOM 41 NZ LYS A 14 -4.615 -9.460 3.407 1.00 0.00 N ATOM 0 H LYS A 14 -8.452 -7.740 -0.784 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.126 -5.659 0.968 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.824 -6.110 1.900 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.945 -7.456 1.865 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.805 -8.503 0.031 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.899 -7.050 -0.343 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.490 -8.726 0.839 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.624 -7.237 1.754 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.320 -8.236 3.233 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.366 -9.693 2.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.009 -9.986 4.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.052 -10.104 2.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.008 -8.692 3.758 1.00 0.00 H new ATOM 55 N CYS A 15 -8.165 -3.560 0.251 1.00 0.00 N ATOM 56 CA CYS A 15 -7.681 -2.236 -0.090 1.00 0.00 C ATOM 57 C CYS A 15 -6.344 -1.976 0.606 1.00 0.00 C ATOM 58 O CYS A 15 -6.276 -2.081 1.826 1.00 0.00 O ATOM 59 CB CYS A 15 -8.736 -1.239 0.385 1.00 0.00 C ATOM 60 SG CYS A 15 -8.299 0.494 0.189 1.00 0.00 S ATOM 0 H CYS A 15 -8.963 -3.538 0.885 1.00 0.00 H new ATOM 0 HA CYS A 15 -7.520 -2.139 -1.164 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -9.661 -1.427 -0.160 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -8.942 -1.428 1.439 1.00 0.00 H new ATOM 65 N PHE A 16 -5.290 -1.613 -0.137 1.00 0.00 N ATOM 66 CA PHE A 16 -3.986 -1.315 0.445 1.00 0.00 C ATOM 67 C PHE A 16 -4.071 -0.190 1.480 1.00 0.00 C ATOM 68 O PHE A 16 -3.491 -0.286 2.559 1.00 0.00 O ATOM 69 CB PHE A 16 -3.002 -0.876 -0.644 1.00 0.00 C ATOM 70 CG PHE A 16 -2.767 -1.815 -1.808 1.00 0.00 C ATOM 71 CD1 PHE A 16 -2.297 -3.126 -1.603 1.00 0.00 C ATOM 72 CD2 PHE A 16 -2.940 -1.341 -3.120 1.00 0.00 C ATOM 73 CE1 PHE A 16 -1.894 -3.907 -2.702 1.00 0.00 C ATOM 74 CE2 PHE A 16 -2.456 -2.083 -4.205 1.00 0.00 C ATOM 75 CZ PHE A 16 -1.933 -3.367 -4.001 1.00 0.00 C ATOM 0 H PHE A 16 -5.322 -1.520 -1.152 1.00 0.00 H new ATOM 0 HA PHE A 16 -3.643 -2.229 0.930 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.352 0.075 -1.047 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.040 -0.686 -0.168 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.246 -3.532 -0.603 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.447 -0.403 -3.292 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.555 -4.921 -2.549 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.486 -1.665 -5.200 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.561 -3.940 -4.838 1.00 0.00 H new ATOM 85 N ASN A 17 -4.785 0.884 1.123 1.00 0.00 N ATOM 86 CA ASN A 17 -4.894 2.104 1.905 1.00 0.00 C ATOM 87 C ASN A 17 -5.520 1.886 3.289 1.00 0.00 C ATOM 88 O ASN A 17 -4.879 2.176 4.298 1.00 0.00 O ATOM 89 CB ASN A 17 -5.665 3.141 1.072 1.00 0.00 C ATOM 90 CG ASN A 17 -5.670 4.534 1.694 1.00 0.00 C ATOM 91 OD1 ASN A 17 -4.936 4.807 2.640 1.00 0.00 O ATOM 92 ND2 ASN A 17 -6.491 5.431 1.144 1.00 0.00 N ATOM 0 H ASN A 17 -5.317 0.921 0.253 1.00 0.00 H new ATOM 0 HA ASN A 17 -3.891 2.473 2.119 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.224 3.197 0.077 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -6.694 2.803 0.947 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -6.524 6.383 1.509 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.085 5.165 0.359 1.00 0.00 H new ATOM 99 N CYS A 18 -6.767 1.399 3.338 1.00 0.00 N ATOM 100 CA CYS A 18 -7.536 1.247 4.575 1.00 0.00 C ATOM 101 C CYS A 18 -7.596 -0.196 5.094 1.00 0.00 C ATOM 102 O CYS A 18 -7.821 -0.394 6.286 1.00 0.00 O ATOM 103 CB CYS A 18 -8.953 1.797 4.387 1.00 0.00 C ATOM 104 SG CYS A 18 -10.076 0.758 3.416 1.00 0.00 S ATOM 0 H CYS A 18 -7.275 1.096 2.507 1.00 0.00 H new ATOM 0 HA CYS A 18 -7.006 1.823 5.334 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -9.395 1.957 5.371 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.884 2.773 3.906 1.00 0.00 H new ATOM 109 N GLY A 19 -7.450 -1.194 4.211 1.00 0.00 N ATOM 110 CA GLY A 19 -7.538 -2.611 4.542 1.00 0.00 C ATOM 111 C GLY A 19 -8.852 -3.215 4.047 1.00 0.00 C ATOM 112 O GLY A 19 -8.848 -4.268 3.415 1.00 0.00 O ATOM 0 H GLY A 19 -7.263 -1.027 3.222 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -6.699 -3.144 4.095 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -7.459 -2.740 5.621 1.00 0.00 H new ATOM 116 N LYS A 20 -9.965 -2.528 4.332 1.00 0.00 N ATOM 117 CA LYS A 20 -11.324 -2.984 4.059 1.00 0.00 C ATOM 118 C LYS A 20 -11.528 -3.378 2.594 1.00 0.00 C ATOM 119 O LYS A 20 -11.133 -2.655 1.681 1.00 0.00 O ATOM 120 CB LYS A 20 -12.364 -1.952 4.509 1.00 0.00 C ATOM 121 CG LYS A 20 -12.538 -1.901 6.035 1.00 0.00 C ATOM 122 CD LYS A 20 -11.302 -1.408 6.801 1.00 0.00 C ATOM 123 CE LYS A 20 -11.641 -1.140 8.270 1.00 0.00 C ATOM 124 NZ LYS A 20 -10.446 -0.730 9.028 1.00 0.00 N ATOM 0 H LYS A 20 -9.938 -1.609 4.774 1.00 0.00 H new ATOM 0 HA LYS A 20 -11.472 -3.888 4.650 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.069 -0.966 4.149 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -13.323 -2.186 4.047 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.379 -1.249 6.270 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.797 -2.898 6.392 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.508 -2.152 6.737 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.922 -0.497 6.339 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.400 -0.361 8.334 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.068 -2.038 8.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.707 -0.555 10.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.732 -1.485 8.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -10.054 0.140 8.615 1.00 0.00 H new ATOM 138 N GLU A 21 -12.158 -4.539 2.401 1.00 0.00 N ATOM 139 CA GLU A 21 -12.386 -5.205 1.135 1.00 0.00 C ATOM 140 C GLU A 21 -13.476 -4.526 0.293 1.00 0.00 C ATOM 141 O GLU A 21 -14.021 -3.487 0.669 1.00 0.00 O ATOM 142 CB GLU A 21 -12.733 -6.670 1.447 1.00 0.00 C ATOM 143 CG GLU A 21 -11.554 -7.469 2.031 1.00 0.00 C ATOM 144 CD GLU A 21 -11.081 -7.032 3.418 1.00 0.00 C ATOM 145 OE1 GLU A 21 -11.952 -6.635 4.225 1.00 0.00 O ATOM 146 OE2 GLU A 21 -9.857 -7.120 3.652 1.00 0.00 O ATOM 0 H GLU A 21 -12.545 -5.067 3.183 1.00 0.00 H new ATOM 0 HA GLU A 21 -11.486 -5.146 0.523 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -13.564 -6.696 2.152 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -13.075 -7.157 0.533 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.839 -8.520 2.079 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.713 -7.398 1.341 1.00 0.00 H new ATOM 153 N GLY A 22 -13.786 -5.129 -0.863 1.00 0.00 N ATOM 154 CA GLY A 22 -14.844 -4.703 -1.769 1.00 0.00 C ATOM 155 C GLY A 22 -14.318 -3.683 -2.775 1.00 0.00 C ATOM 156 O GLY A 22 -14.431 -3.880 -3.983 1.00 0.00 O ATOM 0 H GLY A 22 -13.287 -5.953 -1.198 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -15.246 -5.567 -2.297 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -15.664 -4.268 -1.198 1.00 0.00 H new ATOM 160 N HIS A 23 -13.740 -2.598 -2.256 1.00 0.00 N ATOM 161 CA HIS A 23 -13.127 -1.525 -3.023 1.00 0.00 C ATOM 162 C HIS A 23 -11.609 -1.637 -2.889 1.00 0.00 C ATOM 163 O HIS A 23 -11.119 -2.319 -1.990 1.00 0.00 O ATOM 164 CB HIS A 23 -13.640 -0.188 -2.479 1.00 0.00 C ATOM 165 CG HIS A 23 -13.215 0.057 -1.054 1.00 0.00 C ATOM 166 ND1 HIS A 23 -13.930 -0.410 0.039 1.00 0.00 N ATOM 167 CD2 HIS A 23 -12.111 0.677 -0.526 1.00 0.00 C ATOM 168 CE1 HIS A 23 -13.237 -0.077 1.141 1.00 0.00 C ATOM 169 NE2 HIS A 23 -12.123 0.607 0.863 1.00 0.00 N ATOM 0 H HIS A 23 -13.687 -2.442 -1.249 1.00 0.00 H new ATOM 0 HA HIS A 23 -13.385 -1.592 -4.080 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -13.272 0.622 -3.109 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -14.728 -0.169 -2.539 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -14.817 -0.913 0.011 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -11.338 1.154 -1.110 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -13.547 -0.334 2.143 1.00 0.00 H new ATOM 177 N THR A 24 -10.873 -0.948 -3.766 1.00 0.00 N ATOM 178 CA THR A 24 -9.416 -0.907 -3.747 1.00 0.00 C ATOM 179 C THR A 24 -8.916 0.481 -3.343 1.00 0.00 C ATOM 180 O THR A 24 -9.704 1.403 -3.146 1.00 0.00 O ATOM 181 CB THR A 24 -8.868 -1.324 -5.118 1.00 0.00 C ATOM 182 OG1 THR A 24 -9.565 -0.669 -6.158 1.00 0.00 O ATOM 183 CG2 THR A 24 -9.007 -2.836 -5.257 1.00 0.00 C ATOM 0 H THR A 24 -11.283 -0.396 -4.519 1.00 0.00 H new ATOM 0 HA THR A 24 -9.050 -1.612 -3.001 1.00 0.00 H new ATOM 0 HB THR A 24 -7.819 -1.038 -5.192 1.00 0.00 H new ATOM 0 HG1 THR A 24 -10.234 -1.277 -6.537 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.622 -3.149 -6.227 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.441 -3.328 -4.466 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.058 -3.114 -5.177 1.00 0.00 H new ATOM 191 N ALA A 25 -7.590 0.611 -3.225 1.00 0.00 N ATOM 192 CA ALA A 25 -6.881 1.831 -2.863 1.00 0.00 C ATOM 193 C ALA A 25 -7.347 3.042 -3.668 1.00 0.00 C ATOM 194 O ALA A 25 -7.691 4.069 -3.085 1.00 0.00 O ATOM 195 CB ALA A 25 -5.388 1.595 -3.065 1.00 0.00 C ATOM 0 H ALA A 25 -6.957 -0.172 -3.388 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.096 2.060 -1.819 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.838 2.498 -2.799 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.061 0.771 -2.431 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.197 1.348 -4.109 1.00 0.00 H new ATOM 201 N ARG A 26 -7.366 2.914 -4.999 1.00 0.00 N ATOM 202 CA ARG A 26 -7.764 3.993 -5.889 1.00 0.00 C ATOM 203 C ARG A 26 -9.191 4.488 -5.631 1.00 0.00 C ATOM 204 O ARG A 26 -9.478 5.666 -5.833 1.00 0.00 O ATOM 205 CB ARG A 26 -7.569 3.586 -7.352 1.00 0.00 C ATOM 206 CG ARG A 26 -8.331 2.319 -7.757 1.00 0.00 C ATOM 207 CD ARG A 26 -8.847 2.424 -9.195 1.00 0.00 C ATOM 208 NE ARG A 26 -10.006 3.328 -9.262 1.00 0.00 N ATOM 209 CZ ARG A 26 -10.041 4.604 -9.681 1.00 0.00 C ATOM 210 NH1 ARG A 26 -8.976 5.201 -10.238 1.00 0.00 N ATOM 211 NH2 ARG A 26 -11.176 5.296 -9.524 1.00 0.00 N ATOM 0 H ARG A 26 -7.104 2.055 -5.483 1.00 0.00 H new ATOM 0 HA ARG A 26 -7.110 4.838 -5.673 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -7.888 4.409 -7.992 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.506 3.432 -7.536 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -7.677 1.452 -7.664 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -9.168 2.161 -7.077 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -8.054 2.791 -9.846 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -9.127 1.436 -9.560 1.00 0.00 H new ATOM 0 HE ARG A 26 -10.895 2.937 -8.951 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -8.104 4.684 -10.354 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -9.038 6.172 -10.545 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -11.988 4.853 -9.095 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -11.229 6.266 -9.834 1.00 0.00 H new ATOM 225 N ASN A 27 -10.074 3.585 -5.186 1.00 0.00 N ATOM 226 CA ASN A 27 -11.476 3.860 -4.902 1.00 0.00 C ATOM 227 C ASN A 27 -11.722 4.157 -3.422 1.00 0.00 C ATOM 228 O ASN A 27 -12.862 4.402 -3.031 1.00 0.00 O ATOM 229 CB ASN A 27 -12.310 2.657 -5.337 1.00 0.00 C ATOM 230 CG ASN A 27 -12.128 2.384 -6.825 1.00 0.00 C ATOM 231 OD1 ASN A 27 -12.439 3.234 -7.657 1.00 0.00 O ATOM 232 ND2 ASN A 27 -11.584 1.215 -7.163 1.00 0.00 N ATOM 0 H ASN A 27 -9.817 2.614 -5.010 1.00 0.00 H new ATOM 0 HA ASN A 27 -11.767 4.751 -5.458 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -12.017 1.778 -4.763 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -13.363 2.841 -5.122 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -11.411 0.998 -8.144 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -11.341 0.538 -6.440 1.00 0.00 H new ATOM 239 N CYS A 28 -10.672 4.122 -2.591 1.00 0.00 N ATOM 240 CA CYS A 28 -10.790 4.296 -1.156 1.00 0.00 C ATOM 241 C CYS A 28 -11.202 5.727 -0.819 1.00 0.00 C ATOM 242 O CYS A 28 -10.488 6.672 -1.154 1.00 0.00 O ATOM 243 CB CYS A 28 -9.464 3.952 -0.481 1.00 0.00 C ATOM 244 SG CYS A 28 -9.602 3.712 1.304 1.00 0.00 S ATOM 0 H CYS A 28 -9.714 3.970 -2.908 1.00 0.00 H new ATOM 0 HA CYS A 28 -11.563 3.623 -0.785 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -9.061 3.045 -0.931 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -8.748 4.750 -0.678 1.00 0.00 H new ATOM 249 N ARG A 29 -12.347 5.877 -0.142 1.00 0.00 N ATOM 250 CA ARG A 29 -12.834 7.160 0.344 1.00 0.00 C ATOM 251 C ARG A 29 -12.131 7.483 1.667 1.00 0.00 C ATOM 252 O ARG A 29 -12.757 7.555 2.722 1.00 0.00 O ATOM 253 CB ARG A 29 -14.365 7.108 0.454 1.00 0.00 C ATOM 254 CG ARG A 29 -14.973 8.503 0.664 1.00 0.00 C ATOM 255 CD ARG A 29 -16.501 8.441 0.756 1.00 0.00 C ATOM 256 NE ARG A 29 -17.104 8.002 -0.510 1.00 0.00 N ATOM 257 CZ ARG A 29 -18.418 7.800 -0.705 1.00 0.00 C ATOM 258 NH1 ARG A 29 -19.296 7.999 0.289 1.00 0.00 N ATOM 259 NH2 ARG A 29 -18.855 7.395 -1.905 1.00 0.00 N ATOM 0 H ARG A 29 -12.964 5.097 0.083 1.00 0.00 H new ATOM 0 HA ARG A 29 -12.600 7.970 -0.347 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -14.779 6.664 -0.451 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -14.647 6.460 1.284 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -14.570 8.943 1.576 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -14.683 9.155 -0.160 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -16.790 7.757 1.553 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -16.890 9.424 1.023 1.00 0.00 H new ATOM 0 HE ARG A 29 -16.479 7.839 -1.299 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -18.969 8.307 1.205 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -20.291 7.842 0.129 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -18.191 7.242 -2.664 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -19.851 7.240 -2.059 1.00 0.00 H new ATOM 273 N ALA A 30 -10.808 7.665 1.590 1.00 0.00 N ATOM 274 CA ALA A 30 -9.942 8.053 2.693 1.00 0.00 C ATOM 275 C ALA A 30 -8.632 8.580 2.099 1.00 0.00 C ATOM 276 O ALA A 30 -8.327 8.260 0.950 1.00 0.00 O ATOM 277 CB ALA A 30 -9.668 6.856 3.609 1.00 0.00 C ATOM 0 H ALA A 30 -10.296 7.539 0.717 1.00 0.00 H new ATOM 0 HA ALA A 30 -10.423 8.825 3.294 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -9.019 7.166 4.428 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -10.610 6.484 4.013 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.181 6.065 3.039 1.00 0.00 H new ATOM 283 N PRO A 31 -7.847 9.366 2.854 1.00 0.00 N ATOM 284 CA PRO A 31 -6.545 9.852 2.419 1.00 0.00 C ATOM 285 C PRO A 31 -5.615 8.684 2.091 1.00 0.00 C ATOM 286 O PRO A 31 -5.641 7.671 2.788 1.00 0.00 O ATOM 287 CB PRO A 31 -5.996 10.678 3.588 1.00 0.00 C ATOM 288 CG PRO A 31 -7.245 11.065 4.379 1.00 0.00 C ATOM 289 CD PRO A 31 -8.142 9.845 4.192 1.00 0.00 C ATOM 0 HA PRO A 31 -6.623 10.451 1.512 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.301 10.098 4.196 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.456 11.558 3.238 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -7.020 11.247 5.430 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.707 11.972 3.990 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -7.931 9.081 4.940 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -9.195 10.109 4.294 1.00 0.00 H new ATOM 297 N ARG A 32 -4.796 8.823 1.042 1.00 0.00 N ATOM 298 CA ARG A 32 -3.849 7.803 0.618 1.00 0.00 C ATOM 299 C ARG A 32 -2.502 7.993 1.325 1.00 0.00 C ATOM 300 O ARG A 32 -2.349 8.866 2.179 1.00 0.00 O ATOM 301 CB ARG A 32 -3.732 7.815 -0.918 1.00 0.00 C ATOM 302 CG ARG A 32 -4.769 6.910 -1.591 1.00 0.00 C ATOM 303 CD ARG A 32 -6.179 7.498 -1.684 1.00 0.00 C ATOM 304 NE ARG A 32 -6.249 8.610 -2.645 1.00 0.00 N ATOM 305 CZ ARG A 32 -7.347 8.937 -3.350 1.00 0.00 C ATOM 306 NH1 ARG A 32 -8.513 8.306 -3.144 1.00 0.00 N ATOM 307 NH2 ARG A 32 -7.273 9.900 -4.277 1.00 0.00 N ATOM 0 H ARG A 32 -4.778 9.661 0.461 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.209 6.816 0.908 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.855 8.835 -1.281 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.731 7.493 -1.206 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -4.424 6.673 -2.597 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.819 5.970 -1.042 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -6.879 6.717 -1.981 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.492 7.848 -0.700 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.409 9.171 -2.786 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.576 7.566 -2.444 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -9.336 8.566 -3.687 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.389 10.380 -4.444 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.101 10.154 -4.816 1.00 0.00 H new ATOM 321 N LYS A 33 -1.519 7.168 0.949 1.00 0.00 N ATOM 322 CA LYS A 33 -0.209 7.092 1.563 1.00 0.00 C ATOM 323 C LYS A 33 0.796 8.060 0.930 1.00 0.00 C ATOM 324 O LYS A 33 0.488 8.744 -0.047 1.00 0.00 O ATOM 325 CB LYS A 33 0.255 5.628 1.454 1.00 0.00 C ATOM 326 CG LYS A 33 0.359 5.010 0.055 1.00 0.00 C ATOM 327 CD LYS A 33 1.174 5.672 -1.047 1.00 0.00 C ATOM 328 CE LYS A 33 0.246 6.380 -2.043 1.00 0.00 C ATOM 329 NZ LYS A 33 0.978 7.269 -2.962 1.00 0.00 N ATOM 0 H LYS A 33 -1.629 6.512 0.176 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.270 7.399 2.607 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.234 5.552 1.927 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.430 5.016 2.040 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.757 4.003 0.182 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.658 4.906 -0.322 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.869 6.391 -0.613 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.772 4.923 -1.566 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.298 5.633 -2.621 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.495 6.961 -1.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 0.302 7.762 -3.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.518 7.968 -2.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.632 6.706 -3.543 1.00 0.00 H new ATOM 343 N LYS A 34 2.005 8.108 1.502 1.00 0.00 N ATOM 344 CA LYS A 34 3.113 8.928 1.029 1.00 0.00 C ATOM 345 C LYS A 34 4.120 8.056 0.278 1.00 0.00 C ATOM 346 O LYS A 34 4.259 8.185 -0.936 1.00 0.00 O ATOM 347 CB LYS A 34 3.791 9.642 2.207 1.00 0.00 C ATOM 348 CG LYS A 34 2.883 10.685 2.868 1.00 0.00 C ATOM 349 CD LYS A 34 3.669 11.401 3.972 1.00 0.00 C ATOM 350 CE LYS A 34 2.812 12.471 4.655 1.00 0.00 C ATOM 351 NZ LYS A 34 3.571 13.172 5.705 1.00 0.00 N ATOM 0 H LYS A 34 2.240 7.560 2.330 1.00 0.00 H new ATOM 0 HA LYS A 34 2.727 9.686 0.347 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.090 8.903 2.951 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.701 10.129 1.857 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.534 11.404 2.127 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.999 10.204 3.286 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.007 10.675 4.711 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.561 11.862 3.547 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.464 13.190 3.913 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.927 12.008 5.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.965 13.891 6.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.882 12.488 6.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.402 13.633 5.283 1.00 0.00 H new ATOM 365 N GLY A 35 4.824 7.180 1.008 1.00 0.00 N ATOM 366 CA GLY A 35 5.898 6.348 0.488 1.00 0.00 C ATOM 367 C GLY A 35 5.427 4.940 0.139 1.00 0.00 C ATOM 368 O GLY A 35 4.262 4.735 -0.198 1.00 0.00 O ATOM 0 H GLY A 35 4.651 7.033 2.002 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.320 6.818 -0.401 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.697 6.288 1.227 1.00 0.00 H new ATOM 372 N CYS A 36 6.349 3.973 0.219 1.00 0.00 N ATOM 373 CA CYS A 36 6.083 2.554 0.024 1.00 0.00 C ATOM 374 C CYS A 36 4.932 2.093 0.913 1.00 0.00 C ATOM 375 O CYS A 36 4.921 2.405 2.101 1.00 0.00 O ATOM 376 CB CYS A 36 7.346 1.768 0.367 1.00 0.00 C ATOM 377 SG CYS A 36 7.132 0.000 0.569 1.00 0.00 S ATOM 0 H CYS A 36 7.328 4.169 0.428 1.00 0.00 H new ATOM 0 HA CYS A 36 5.801 2.381 -1.015 1.00 0.00 H new ATOM 0 HB2 CYS A 36 8.082 1.939 -0.418 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.764 2.172 1.289 1.00 0.00 H new ATOM 382 N TRP A 37 3.977 1.343 0.350 1.00 0.00 N ATOM 383 CA TRP A 37 2.784 0.938 1.060 1.00 0.00 C ATOM 384 C TRP A 37 3.115 0.000 2.224 1.00 0.00 C ATOM 385 O TRP A 37 2.742 0.287 3.360 1.00 0.00 O ATOM 386 CB TRP A 37 1.801 0.300 0.062 1.00 0.00 C ATOM 387 CG TRP A 37 0.542 1.039 -0.252 1.00 0.00 C ATOM 388 CD1 TRP A 37 -0.126 1.837 0.598 1.00 0.00 C ATOM 389 CD2 TRP A 37 -0.185 1.122 -1.513 1.00 0.00 C ATOM 390 NE1 TRP A 37 -1.173 2.458 -0.036 1.00 0.00 N ATOM 391 CE2 TRP A 37 -1.231 2.081 -1.365 1.00 0.00 C ATOM 392 CE3 TRP A 37 -0.016 0.547 -2.790 1.00 0.00 C ATOM 393 CZ2 TRP A 37 -2.034 2.481 -2.442 1.00 0.00 C ATOM 394 CZ3 TRP A 37 -0.833 0.922 -3.870 1.00 0.00 C ATOM 395 CH2 TRP A 37 -1.826 1.902 -3.707 1.00 0.00 C ATOM 0 H TRP A 37 4.021 1.006 -0.612 1.00 0.00 H new ATOM 0 HA TRP A 37 2.312 1.814 1.505 1.00 0.00 H new ATOM 0 HB2 TRP A 37 2.335 0.137 -0.874 1.00 0.00 H new ATOM 0 HB3 TRP A 37 1.525 -0.682 0.447 1.00 0.00 H new ATOM 0 HD1 TRP A 37 0.127 1.972 1.639 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -1.819 3.108 0.412 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.755 -0.194 -2.940 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -2.804 3.225 -2.302 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.696 0.453 -4.833 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -2.427 2.210 -4.550 1.00 0.00 H new ATOM 406 N LYS A 38 3.805 -1.115 1.950 1.00 0.00 N ATOM 407 CA LYS A 38 4.079 -2.129 2.958 1.00 0.00 C ATOM 408 C LYS A 38 5.216 -1.697 3.881 1.00 0.00 C ATOM 409 O LYS A 38 4.981 -1.421 5.057 1.00 0.00 O ATOM 410 CB LYS A 38 4.333 -3.491 2.297 1.00 0.00 C ATOM 411 CG LYS A 38 4.492 -4.596 3.353 1.00 0.00 C ATOM 412 CD LYS A 38 4.274 -5.985 2.736 1.00 0.00 C ATOM 413 CE LYS A 38 4.257 -7.090 3.802 1.00 0.00 C ATOM 414 NZ LYS A 38 5.565 -7.230 4.464 1.00 0.00 N ATOM 0 H LYS A 38 4.184 -1.332 1.028 1.00 0.00 H new ATOM 0 HA LYS A 38 3.198 -2.241 3.590 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.505 -3.736 1.631 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.232 -3.439 1.682 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.488 -4.542 3.793 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.778 -4.437 4.161 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.332 -5.995 2.188 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.065 -6.189 2.014 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.494 -6.864 4.547 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.980 -8.037 3.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.663 -8.195 4.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.323 -7.047 3.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.634 -6.546 5.245 1.00 0.00 H new ATOM 428 N CYS A 39 6.447 -1.662 3.358 1.00 0.00 N ATOM 429 CA CYS A 39 7.624 -1.371 4.178 1.00 0.00 C ATOM 430 C CYS A 39 7.611 0.050 4.765 1.00 0.00 C ATOM 431 O CYS A 39 8.179 0.252 5.835 1.00 0.00 O ATOM 432 CB CYS A 39 8.942 -1.723 3.466 1.00 0.00 C ATOM 433 SG CYS A 39 9.916 -0.365 2.760 1.00 0.00 S ATOM 0 H CYS A 39 6.652 -1.831 2.373 1.00 0.00 H new ATOM 0 HA CYS A 39 7.565 -2.038 5.038 1.00 0.00 H new ATOM 0 HB2 CYS A 39 9.575 -2.253 4.178 1.00 0.00 H new ATOM 0 HB3 CYS A 39 8.711 -2.422 2.662 1.00 0.00 H new ATOM 438 N GLY A 40 6.984 1.027 4.086 1.00 0.00 N ATOM 439 CA GLY A 40 6.808 2.379 4.608 1.00 0.00 C ATOM 440 C GLY A 40 7.728 3.412 3.962 1.00 0.00 C ATOM 441 O GLY A 40 7.293 4.527 3.678 1.00 0.00 O ATOM 0 H GLY A 40 6.586 0.893 3.156 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.772 2.684 4.459 1.00 0.00 H new ATOM 0 HA3 GLY A 40 6.986 2.370 5.683 1.00 0.00 H new ATOM 445 N LYS A 41 8.996 3.048 3.742 1.00 0.00 N ATOM 446 CA LYS A 41 10.025 3.959 3.245 1.00 0.00 C ATOM 447 C LYS A 41 9.643 4.626 1.920 1.00 0.00 C ATOM 448 O LYS A 41 9.273 3.958 0.958 1.00 0.00 O ATOM 449 CB LYS A 41 11.361 3.234 3.086 1.00 0.00 C ATOM 450 CG LYS A 41 11.947 2.745 4.413 1.00 0.00 C ATOM 451 CD LYS A 41 13.303 2.075 4.158 1.00 0.00 C ATOM 452 CE LYS A 41 13.925 1.500 5.435 1.00 0.00 C ATOM 453 NZ LYS A 41 14.249 2.545 6.422 1.00 0.00 N ATOM 0 H LYS A 41 9.337 2.101 3.907 1.00 0.00 H new ATOM 0 HA LYS A 41 10.119 4.746 3.993 1.00 0.00 H new ATOM 0 HB2 LYS A 41 11.227 2.382 2.420 1.00 0.00 H new ATOM 0 HB3 LYS A 41 12.075 3.904 2.606 1.00 0.00 H new ATOM 0 HG2 LYS A 41 12.067 3.582 5.100 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.264 2.039 4.886 1.00 0.00 H new ATOM 0 HD2 LYS A 41 13.178 1.276 3.428 1.00 0.00 H new ATOM 0 HD3 LYS A 41 13.987 2.802 3.721 1.00 0.00 H new ATOM 0 HE2 LYS A 41 13.235 0.784 5.881 1.00 0.00 H new ATOM 0 HE3 LYS A 41 14.832 0.952 5.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.713 2.112 7.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 14.888 3.243 5.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.374 3.018 6.726 1.00 0.00 H new ATOM 467 N GLU A 42 9.773 5.954 1.882 1.00 0.00 N ATOM 468 CA GLU A 42 9.476 6.778 0.718 1.00 0.00 C ATOM 469 C GLU A 42 10.644 6.852 -0.263 1.00 0.00 C ATOM 470 O GLU A 42 11.679 6.211 -0.078 1.00 0.00 O ATOM 471 CB GLU A 42 8.920 8.165 1.112 1.00 0.00 C ATOM 472 CG GLU A 42 8.758 8.408 2.619 1.00 0.00 C ATOM 473 CD GLU A 42 8.054 9.734 2.888 1.00 0.00 C ATOM 474 OE1 GLU A 42 8.686 10.778 2.620 1.00 0.00 O ATOM 475 OE2 GLU A 42 6.894 9.684 3.353 1.00 0.00 O ATOM 0 H GLU A 42 10.097 6.496 2.683 1.00 0.00 H new ATOM 0 HA GLU A 42 8.674 6.277 0.176 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.582 8.931 0.707 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.949 8.297 0.634 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.187 7.593 3.063 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.737 8.409 3.098 1.00 0.00 H new ATOM 482 N GLY A 43 10.430 7.614 -1.340 1.00 0.00 N ATOM 483 CA GLY A 43 11.361 7.735 -2.452 1.00 0.00 C ATOM 484 C GLY A 43 11.248 6.557 -3.428 1.00 0.00 C ATOM 485 O GLY A 43 11.964 6.529 -4.427 1.00 0.00 O ATOM 0 H GLY A 43 9.585 8.173 -1.460 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.170 8.667 -2.985 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.379 7.791 -2.068 1.00 0.00 H new ATOM 489 N HIS A 44 10.361 5.591 -3.147 1.00 0.00 N ATOM 490 CA HIS A 44 10.135 4.400 -3.949 1.00 0.00 C ATOM 491 C HIS A 44 8.817 3.752 -3.504 1.00 0.00 C ATOM 492 O HIS A 44 8.323 4.054 -2.416 1.00 0.00 O ATOM 493 CB HIS A 44 11.315 3.433 -3.789 1.00 0.00 C ATOM 494 CG HIS A 44 11.442 2.877 -2.394 1.00 0.00 C ATOM 495 ND1 HIS A 44 12.194 3.467 -1.391 1.00 0.00 N ATOM 496 CD2 HIS A 44 10.897 1.759 -1.822 1.00 0.00 C ATOM 497 CE1 HIS A 44 12.087 2.681 -0.303 1.00 0.00 C ATOM 498 NE2 HIS A 44 11.269 1.641 -0.485 1.00 0.00 N ATOM 0 H HIS A 44 9.763 5.628 -2.321 1.00 0.00 H new ATOM 0 HA HIS A 44 10.061 4.660 -5.005 1.00 0.00 H new ATOM 0 HB2 HIS A 44 11.199 2.609 -4.493 1.00 0.00 H new ATOM 0 HB3 HIS A 44 12.238 3.949 -4.053 1.00 0.00 H new ATOM 0 HD2 HIS A 44 10.260 1.058 -2.341 1.00 0.00 H new ATOM 0 HE1 HIS A 44 12.609 2.872 0.623 1.00 0.00 H new ATOM 0 HE2 HIS A 44 10.985 0.932 0.191 1.00 0.00 H new ATOM 506 N GLN A 45 8.253 2.869 -4.336 1.00 0.00 N ATOM 507 CA GLN A 45 6.968 2.221 -4.079 1.00 0.00 C ATOM 508 C GLN A 45 7.177 0.801 -3.555 1.00 0.00 C ATOM 509 O GLN A 45 8.259 0.250 -3.688 1.00 0.00 O ATOM 510 CB GLN A 45 6.124 2.222 -5.360 1.00 0.00 C ATOM 511 CG GLN A 45 5.915 3.661 -5.846 1.00 0.00 C ATOM 512 CD GLN A 45 4.846 3.779 -6.927 1.00 0.00 C ATOM 513 OE1 GLN A 45 4.476 2.801 -7.570 1.00 0.00 O ATOM 514 NE2 GLN A 45 4.346 4.998 -7.126 1.00 0.00 N ATOM 0 H GLN A 45 8.683 2.583 -5.216 1.00 0.00 H new ATOM 0 HA GLN A 45 6.433 2.779 -3.311 1.00 0.00 H new ATOM 0 HB2 GLN A 45 6.621 1.636 -6.134 1.00 0.00 H new ATOM 0 HB3 GLN A 45 5.160 1.749 -5.171 1.00 0.00 H new ATOM 0 HG2 GLN A 45 5.637 4.287 -4.998 1.00 0.00 H new ATOM 0 HG3 GLN A 45 6.858 4.048 -6.232 1.00 0.00 H new ATOM 0 HE21 GLN A 45 4.682 5.784 -6.569 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.628 5.145 -7.835 1.00 0.00 H new ATOM 523 N MET A 46 6.135 0.207 -2.964 1.00 0.00 N ATOM 524 CA MET A 46 6.100 -1.171 -2.480 1.00 0.00 C ATOM 525 C MET A 46 6.569 -2.142 -3.559 1.00 0.00 C ATOM 526 O MET A 46 7.387 -3.016 -3.282 1.00 0.00 O ATOM 527 CB MET A 46 4.695 -1.440 -1.938 1.00 0.00 C ATOM 528 CG MET A 46 4.500 -2.813 -1.290 1.00 0.00 C ATOM 529 SD MET A 46 2.764 -3.228 -0.959 1.00 0.00 S ATOM 530 CE MET A 46 2.104 -3.355 -2.642 1.00 0.00 C ATOM 0 H MET A 46 5.255 0.698 -2.804 1.00 0.00 H new ATOM 0 HA MET A 46 6.802 -1.328 -1.661 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.452 -0.672 -1.204 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.981 -1.337 -2.755 1.00 0.00 H new ATOM 0 HG2 MET A 46 4.928 -3.575 -1.941 1.00 0.00 H new ATOM 0 HG3 MET A 46 5.056 -2.844 -0.353 1.00 0.00 H new ATOM 0 HE1 MET A 46 1.181 -3.934 -2.628 1.00 0.00 H new ATOM 0 HE2 MET A 46 1.900 -2.357 -3.029 1.00 0.00 H new ATOM 0 HE3 MET A 46 2.833 -3.851 -3.282 1.00 0.00 H new ATOM 540 N LYS A 47 6.074 -1.952 -4.783 1.00 0.00 N ATOM 541 CA LYS A 47 6.452 -2.648 -5.979 1.00 0.00 C ATOM 542 C LYS A 47 7.976 -2.673 -6.129 1.00 0.00 C ATOM 543 O LYS A 47 8.603 -3.727 -6.050 1.00 0.00 O ATOM 544 CB LYS A 47 5.795 -1.819 -7.081 1.00 0.00 C ATOM 545 CG LYS A 47 4.265 -1.942 -7.022 1.00 0.00 C ATOM 546 CD LYS A 47 3.619 -1.837 -8.410 1.00 0.00 C ATOM 547 CE LYS A 47 3.740 -0.431 -9.009 1.00 0.00 C ATOM 548 NZ LYS A 47 2.932 0.553 -8.268 1.00 0.00 N ATOM 0 H LYS A 47 5.349 -1.256 -4.959 1.00 0.00 H new ATOM 0 HA LYS A 47 6.141 -3.693 -5.994 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.084 -0.773 -6.976 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.153 -2.152 -8.055 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.997 -2.897 -6.570 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.864 -1.160 -6.377 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.089 -2.556 -9.081 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.566 -2.109 -8.339 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.785 -0.122 -9.002 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.421 -0.452 -10.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.057 0.751 -8.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.693 0.171 -7.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.475 1.433 -8.155 1.00 0.00 H new ATOM 562 N ASP A 48 8.543 -1.481 -6.327 1.00 0.00 N ATOM 563 CA ASP A 48 9.964 -1.197 -6.463 1.00 0.00 C ATOM 564 C ASP A 48 10.799 -1.824 -5.341 1.00 0.00 C ATOM 565 O ASP A 48 11.821 -2.458 -5.596 1.00 0.00 O ATOM 566 CB ASP A 48 10.172 0.328 -6.427 1.00 0.00 C ATOM 567 CG ASP A 48 9.291 1.130 -7.381 1.00 0.00 C ATOM 568 OD1 ASP A 48 8.870 0.562 -8.411 1.00 0.00 O ATOM 569 OD2 ASP A 48 9.043 2.309 -7.044 1.00 0.00 O ATOM 0 H ASP A 48 7.979 -0.635 -6.401 1.00 0.00 H new ATOM 0 HA ASP A 48 10.294 -1.627 -7.408 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.992 0.679 -5.411 1.00 0.00 H new ATOM 0 HB3 ASP A 48 11.216 0.541 -6.657 1.00 0.00 H new ATOM 574 N CYS A 49 10.361 -1.609 -4.096 1.00 0.00 N ATOM 575 CA CYS A 49 11.052 -2.000 -2.881 1.00 0.00 C ATOM 576 C CYS A 49 11.268 -3.500 -2.756 1.00 0.00 C ATOM 577 O CYS A 49 10.400 -4.297 -3.100 1.00 0.00 O ATOM 578 CB CYS A 49 10.351 -1.430 -1.643 1.00 0.00 C ATOM 579 SG CYS A 49 9.701 -2.452 -0.313 1.00 0.00 S ATOM 0 H CYS A 49 9.476 -1.137 -3.909 1.00 0.00 H new ATOM 0 HA CYS A 49 12.049 -1.565 -2.948 1.00 0.00 H new ATOM 0 HB2 CYS A 49 11.056 -0.738 -1.182 1.00 0.00 H new ATOM 0 HB3 CYS A 49 9.515 -0.835 -2.010 1.00 0.00 H new ATOM 584 N THR A 50 12.440 -3.847 -2.223 1.00 0.00 N ATOM 585 CA THR A 50 12.854 -5.203 -1.889 1.00 0.00 C ATOM 586 C THR A 50 13.282 -5.256 -0.412 1.00 0.00 C ATOM 587 O THR A 50 14.067 -6.112 -0.013 1.00 0.00 O ATOM 588 CB THR A 50 13.931 -5.668 -2.884 1.00 0.00 C ATOM 589 OG1 THR A 50 14.188 -7.048 -2.724 1.00 0.00 O ATOM 590 CG2 THR A 50 15.240 -4.876 -2.769 1.00 0.00 C ATOM 0 H THR A 50 13.157 -3.156 -2.004 1.00 0.00 H new ATOM 0 HA THR A 50 12.029 -5.909 -1.989 1.00 0.00 H new ATOM 0 HB THR A 50 13.531 -5.479 -3.880 1.00 0.00 H new ATOM 0 HG1 THR A 50 14.279 -7.255 -1.771 1.00 0.00 H new ATOM 0 HG21 THR A 50 15.958 -5.253 -3.497 1.00 0.00 H new ATOM 0 HG22 THR A 50 15.045 -3.821 -2.963 1.00 0.00 H new ATOM 0 HG23 THR A 50 15.648 -4.991 -1.765 1.00 0.00 H new ATOM 598 N GLU A 51 12.742 -4.337 0.402 1.00 0.00 N ATOM 599 CA GLU A 51 13.002 -4.220 1.826 1.00 0.00 C ATOM 600 C GLU A 51 12.369 -5.407 2.557 1.00 0.00 C ATOM 601 O GLU A 51 13.052 -6.375 2.879 1.00 0.00 O ATOM 602 CB GLU A 51 12.432 -2.883 2.327 1.00 0.00 C ATOM 603 CG GLU A 51 13.198 -1.652 1.820 1.00 0.00 C ATOM 604 CD GLU A 51 14.594 -1.571 2.424 1.00 0.00 C ATOM 605 OE1 GLU A 51 14.671 -1.189 3.612 1.00 0.00 O ATOM 606 OE2 GLU A 51 15.552 -1.883 1.686 1.00 0.00 O ATOM 0 H GLU A 51 12.088 -3.632 0.063 1.00 0.00 H new ATOM 0 HA GLU A 51 14.074 -4.235 2.023 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.390 -2.804 2.016 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.441 -2.881 3.417 1.00 0.00 H new ATOM 0 HG2 GLU A 51 13.273 -1.692 0.733 1.00 0.00 H new ATOM 0 HG3 GLU A 51 12.641 -0.749 2.068 1.00 0.00 H new ATOM 613 N ARG A 52 11.058 -5.317 2.815 1.00 0.00 N ATOM 614 CA ARG A 52 10.271 -6.347 3.475 1.00 0.00 C ATOM 615 C ARG A 52 8.995 -6.599 2.674 1.00 0.00 C ATOM 616 O ARG A 52 7.899 -6.242 3.107 1.00 0.00 O ATOM 617 CB ARG A 52 9.959 -5.926 4.916 1.00 0.00 C ATOM 618 CG ARG A 52 11.212 -5.969 5.800 1.00 0.00 C ATOM 619 CD ARG A 52 10.889 -5.635 7.261 1.00 0.00 C ATOM 620 NE ARG A 52 9.961 -6.612 7.851 1.00 0.00 N ATOM 621 CZ ARG A 52 9.579 -6.641 9.137 1.00 0.00 C ATOM 622 NH1 ARG A 52 10.080 -5.773 10.027 1.00 0.00 N ATOM 623 NH2 ARG A 52 8.679 -7.554 9.524 1.00 0.00 N ATOM 0 H ARG A 52 10.506 -4.498 2.560 1.00 0.00 H new ATOM 0 HA ARG A 52 10.837 -7.277 3.519 1.00 0.00 H new ATOM 0 HB2 ARG A 52 9.545 -4.918 4.920 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.197 -6.585 5.332 1.00 0.00 H new ATOM 0 HG2 ARG A 52 11.662 -6.960 5.745 1.00 0.00 H new ATOM 0 HG3 ARG A 52 11.950 -5.262 5.420 1.00 0.00 H new ATOM 0 HD2 ARG A 52 11.811 -5.613 7.842 1.00 0.00 H new ATOM 0 HD3 ARG A 52 10.452 -4.638 7.318 1.00 0.00 H new ATOM 0 HE ARG A 52 9.576 -7.326 7.232 1.00 0.00 H new ATOM 0 HH11 ARG A 52 10.763 -5.076 9.731 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.778 -5.810 11.001 1.00 0.00 H new ATOM 0 HH21 ARG A 52 8.296 -8.212 8.845 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.377 -7.591 10.497 1.00 0.00 H new ATOM 637 N GLN A 53 9.141 -7.231 1.503 1.00 0.00 N ATOM 638 CA GLN A 53 8.012 -7.641 0.682 1.00 0.00 C ATOM 639 C GLN A 53 7.328 -8.830 1.358 1.00 0.00 C ATOM 640 O GLN A 53 6.332 -8.645 2.054 1.00 0.00 O ATOM 641 CB GLN A 53 8.464 -7.965 -0.749 1.00 0.00 C ATOM 642 CG GLN A 53 8.891 -6.703 -1.505 1.00 0.00 C ATOM 643 CD GLN A 53 9.180 -7.019 -2.971 1.00 0.00 C ATOM 644 OE1 GLN A 53 8.391 -6.679 -3.848 1.00 0.00 O ATOM 645 NE2 GLN A 53 10.309 -7.679 -3.240 1.00 0.00 N ATOM 0 H GLN A 53 10.049 -7.469 1.104 1.00 0.00 H new ATOM 0 HA GLN A 53 7.293 -6.826 0.596 1.00 0.00 H new ATOM 0 HB2 GLN A 53 9.295 -8.670 -0.718 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.651 -8.454 -1.286 1.00 0.00 H new ATOM 0 HG2 GLN A 53 8.105 -5.951 -1.439 1.00 0.00 H new ATOM 0 HG3 GLN A 53 9.779 -6.277 -1.038 1.00 0.00 H new ATOM 0 HE21 GLN A 53 10.938 -7.943 -2.482 1.00 0.00 H new ATOM 0 HE22 GLN A 53 10.542 -7.919 -4.204 1.00 0.00 H new ATOM 654 N ALA A 54 7.882 -10.038 1.198 1.00 0.00 N ATOM 655 CA ALA A 54 7.366 -11.251 1.822 1.00 0.00 C ATOM 656 C ALA A 54 7.958 -11.418 3.227 1.00 0.00 C ATOM 657 O ALA A 54 8.462 -12.486 3.569 1.00 0.00 O ATOM 658 CB ALA A 54 7.683 -12.449 0.919 1.00 0.00 C ATOM 0 H ALA A 54 8.710 -10.197 0.624 1.00 0.00 H new ATOM 0 HA ALA A 54 6.284 -11.184 1.937 1.00 0.00 H new ATOM 0 HB1 ALA A 54 7.301 -13.361 1.377 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.212 -12.306 -0.053 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.762 -12.532 0.790 1.00 0.00 H new ATOM 664 N ASN A 55 7.899 -10.350 4.033 1.00 0.00 N ATOM 665 CA ASN A 55 8.406 -10.307 5.400 1.00 0.00 C ATOM 666 C ASN A 55 7.521 -9.356 6.210 1.00 0.00 C ATOM 667 O ASN A 55 6.288 -9.413 6.014 1.00 0.00 O ATOM 668 CB ASN A 55 9.878 -9.859 5.419 1.00 0.00 C ATOM 669 CG ASN A 55 10.803 -10.770 4.614 1.00 0.00 C ATOM 670 OD1 ASN A 55 11.307 -11.762 5.136 1.00 0.00 O ATOM 671 ND2 ASN A 55 11.043 -10.428 3.346 1.00 0.00 N ATOM 672 OXT ASN A 55 8.082 -8.565 6.999 1.00 0.00 O ATOM 0 H ASN A 55 7.483 -9.467 3.737 1.00 0.00 H new ATOM 0 HA ASN A 55 8.371 -11.301 5.846 1.00 0.00 H new ATOM 0 HB2 ASN A 55 9.946 -8.845 5.024 1.00 0.00 H new ATOM 0 HB3 ASN A 55 10.225 -9.823 6.452 1.00 0.00 H new ATOM 0 HD21 ASN A 55 11.665 -10.998 2.773 1.00 0.00 H new ATOM 0 HD22 ASN A 55 10.605 -9.596 2.950 1.00 0.00 H new TER 679 ASN A 55 HETATM 680 ZN ZN A 56 -9.991 1.491 1.298 1.00 0.00 ZN HETATM 681 ZN ZN A 57 9.320 -0.396 0.609 1.00 0.00 ZN ATOM 682 O5' DG B 101 -20.756 3.018 -8.342 1.00 0.00 O ATOM 683 C5' DG B 101 -22.015 2.636 -7.829 1.00 0.00 C ATOM 684 C4' DG B 101 -22.408 1.205 -8.241 1.00 0.00 C ATOM 685 O4' DG B 101 -21.384 0.577 -9.004 1.00 0.00 O ATOM 686 C3' DG B 101 -22.708 0.295 -7.038 1.00 0.00 C ATOM 687 O3' DG B 101 -24.061 -0.134 -7.046 1.00 0.00 O ATOM 688 C2' DG B 101 -21.769 -0.874 -7.270 1.00 0.00 C ATOM 689 C1' DG B 101 -20.677 -0.309 -8.160 1.00 0.00 C ATOM 690 N9 DG B 101 -19.587 0.402 -7.442 1.00 0.00 N ATOM 691 C8 DG B 101 -19.410 0.626 -6.098 1.00 0.00 C ATOM 692 N7 DG B 101 -18.314 1.269 -5.803 1.00 0.00 N ATOM 693 C5 DG B 101 -17.717 1.501 -7.035 1.00 0.00 C ATOM 694 C6 DG B 101 -16.498 2.175 -7.355 1.00 0.00 C ATOM 695 O6 DG B 101 -15.681 2.677 -6.586 1.00 0.00 O ATOM 696 N1 DG B 101 -16.273 2.237 -8.727 1.00 0.00 N ATOM 697 C2 DG B 101 -17.095 1.668 -9.681 1.00 0.00 C ATOM 698 N2 DG B 101 -16.725 1.809 -10.958 1.00 0.00 N ATOM 699 N3 DG B 101 -18.223 1.003 -9.382 1.00 0.00 N ATOM 700 C4 DG B 101 -18.485 0.970 -8.044 1.00 0.00 C ATOM 0 H5' DG B 101 -22.775 3.334 -8.181 1.00 0.00 H new ATOM 0 H5'' DG B 101 -21.997 2.706 -6.741 1.00 0.00 H new ATOM 0 H4' DG B 101 -23.313 1.325 -8.837 1.00 0.00 H new ATOM 0 H3' DG B 101 -22.566 0.787 -6.076 1.00 0.00 H new ATOM 0 H2' DG B 101 -21.362 -1.249 -6.331 1.00 0.00 H new ATOM 0 H2'' DG B 101 -22.282 -1.707 -7.751 1.00 0.00 H new ATOM 0 HO5' DG B 101 -20.089 2.339 -8.110 1.00 0.00 H new ATOM 0 H1' DG B 101 -20.146 -1.109 -8.676 1.00 0.00 H new ATOM 0 H8 DG B 101 -20.117 0.298 -5.350 1.00 0.00 H new ATOM 0 H1 DG B 101 -15.445 2.737 -9.051 1.00 0.00 H new ATOM 0 H21 DG B 101 -17.296 1.408 -11.702 1.00 0.00 H new ATOM 0 H22 DG B 101 -15.871 2.318 -11.188 1.00 0.00 H new ATOM 713 P DT B 102 -24.663 -1.076 -5.877 1.00 0.00 P ATOM 714 OP1 DT B 102 -26.127 -1.159 -6.078 1.00 0.00 O ATOM 715 OP2 DT B 102 -24.129 -0.601 -4.581 1.00 0.00 O ATOM 716 O5' DT B 102 -24.023 -2.533 -6.179 1.00 0.00 O ATOM 717 C5' DT B 102 -24.823 -3.650 -6.522 1.00 0.00 C ATOM 718 C4' DT B 102 -24.001 -4.945 -6.671 1.00 0.00 C ATOM 719 O4' DT B 102 -23.621 -5.122 -8.034 1.00 0.00 O ATOM 720 C3' DT B 102 -22.710 -4.980 -5.824 1.00 0.00 C ATOM 721 O3' DT B 102 -22.561 -6.264 -5.233 1.00 0.00 O ATOM 722 C2' DT B 102 -21.688 -4.714 -6.927 1.00 0.00 C ATOM 723 C1' DT B 102 -22.281 -5.563 -8.038 1.00 0.00 C ATOM 724 N1 DT B 102 -21.602 -5.383 -9.350 1.00 0.00 N ATOM 725 C2 DT B 102 -21.213 -6.510 -10.080 1.00 0.00 C ATOM 726 O2 DT B 102 -21.387 -7.662 -9.691 1.00 0.00 O ATOM 727 N3 DT B 102 -20.608 -6.267 -11.306 1.00 0.00 N ATOM 728 C4 DT B 102 -20.409 -5.022 -11.886 1.00 0.00 C ATOM 729 O4 DT B 102 -19.883 -4.936 -12.993 1.00 0.00 O ATOM 730 C5 DT B 102 -20.863 -3.906 -11.075 1.00 0.00 C ATOM 731 C7 DT B 102 -20.801 -2.500 -11.639 1.00 0.00 C ATOM 732 C6 DT B 102 -21.420 -4.124 -9.855 1.00 0.00 C ATOM 0 H5' DT B 102 -25.344 -3.445 -7.457 1.00 0.00 H new ATOM 0 H5'' DT B 102 -25.586 -3.794 -5.757 1.00 0.00 H new ATOM 0 H4' DT B 102 -24.654 -5.741 -6.314 1.00 0.00 H new ATOM 0 H3' DT B 102 -22.649 -4.287 -4.985 1.00 0.00 H new ATOM 0 H2' DT B 102 -21.627 -3.659 -7.195 1.00 0.00 H new ATOM 0 H2'' DT B 102 -20.683 -5.031 -6.650 1.00 0.00 H new ATOM 0 H1' DT B 102 -22.169 -6.636 -7.879 1.00 0.00 H new ATOM 0 H3 DT B 102 -20.279 -7.079 -11.829 1.00 0.00 H new ATOM 0 H71 DT B 102 -19.972 -2.426 -12.343 1.00 0.00 H new ATOM 0 H72 DT B 102 -21.735 -2.273 -12.153 1.00 0.00 H new ATOM 0 H73 DT B 102 -20.652 -1.788 -10.827 1.00 0.00 H new ATOM 0 H6 DT B 102 -21.730 -3.275 -9.264 1.00 0.00 H new ATOM 745 P DC B 103 -21.340 -6.625 -4.235 1.00 0.00 P ATOM 746 OP1 DC B 103 -21.656 -7.905 -3.566 1.00 0.00 O ATOM 747 OP2 DC B 103 -21.027 -5.429 -3.421 1.00 0.00 O ATOM 748 O5' DC B 103 -20.106 -6.880 -5.240 1.00 0.00 O ATOM 749 C5' DC B 103 -20.030 -8.047 -6.032 1.00 0.00 C ATOM 750 C4' DC B 103 -18.883 -7.917 -7.037 1.00 0.00 C ATOM 751 O4' DC B 103 -19.093 -6.811 -7.898 1.00 0.00 O ATOM 752 C3' DC B 103 -17.512 -7.712 -6.368 1.00 0.00 C ATOM 753 O3' DC B 103 -16.672 -8.825 -6.642 1.00 0.00 O ATOM 754 C2' DC B 103 -17.008 -6.431 -7.032 1.00 0.00 C ATOM 755 C1' DC B 103 -17.817 -6.403 -8.328 1.00 0.00 C ATOM 756 N1 DC B 103 -17.840 -5.071 -9.004 1.00 0.00 N ATOM 757 C2 DC B 103 -17.409 -4.982 -10.334 1.00 0.00 C ATOM 758 O2 DC B 103 -17.024 -5.965 -10.965 1.00 0.00 O ATOM 759 N3 DC B 103 -17.409 -3.761 -10.938 1.00 0.00 N ATOM 760 C4 DC B 103 -17.748 -2.649 -10.278 1.00 0.00 C ATOM 761 N4 DC B 103 -17.735 -1.479 -10.928 1.00 0.00 N ATOM 762 C5 DC B 103 -18.114 -2.704 -8.894 1.00 0.00 C ATOM 763 C6 DC B 103 -18.185 -3.924 -8.318 1.00 0.00 C ATOM 0 H5' DC B 103 -20.972 -8.202 -6.559 1.00 0.00 H new ATOM 0 H5'' DC B 103 -19.873 -8.919 -5.397 1.00 0.00 H new ATOM 0 H4' DC B 103 -18.875 -8.858 -7.587 1.00 0.00 H new ATOM 0 H3' DC B 103 -17.543 -7.632 -5.281 1.00 0.00 H new ATOM 0 H2' DC B 103 -17.195 -5.552 -6.416 1.00 0.00 H new ATOM 0 H2'' DC B 103 -15.935 -6.465 -7.222 1.00 0.00 H new ATOM 0 H1' DC B 103 -17.386 -7.043 -9.098 1.00 0.00 H new ATOM 0 H41 DC B 103 -17.991 -0.621 -10.439 1.00 0.00 H new ATOM 0 H42 DC B 103 -17.469 -1.445 -11.912 1.00 0.00 H new ATOM 0 H5 DC B 103 -18.325 -1.805 -8.333 1.00 0.00 H new ATOM 0 H6 DC B 103 -18.520 -4.004 -7.294 1.00 0.00 H new ATOM 775 P DC B 104 -15.194 -8.975 -5.999 1.00 0.00 P ATOM 776 OP1 DC B 104 -14.985 -10.400 -5.661 1.00 0.00 O ATOM 777 OP2 DC B 104 -15.039 -7.962 -4.929 1.00 0.00 O ATOM 778 O5' DC B 104 -14.192 -8.584 -7.202 1.00 0.00 O ATOM 779 C5' DC B 104 -13.920 -9.486 -8.260 1.00 0.00 C ATOM 780 C4' DC B 104 -12.908 -8.877 -9.236 1.00 0.00 C ATOM 781 O4' DC B 104 -13.467 -7.708 -9.809 1.00 0.00 O ATOM 782 C3' DC B 104 -11.587 -8.491 -8.550 1.00 0.00 C ATOM 783 O3' DC B 104 -10.489 -9.053 -9.255 1.00 0.00 O ATOM 784 C2' DC B 104 -11.601 -6.968 -8.642 1.00 0.00 C ATOM 785 C1' DC B 104 -12.464 -6.717 -9.872 1.00 0.00 C ATOM 786 N1 DC B 104 -13.085 -5.365 -9.854 1.00 0.00 N ATOM 787 C2 DC B 104 -12.774 -4.440 -10.853 1.00 0.00 C ATOM 788 O2 DC B 104 -11.943 -4.691 -11.721 1.00 0.00 O ATOM 789 N3 DC B 104 -13.415 -3.234 -10.845 1.00 0.00 N ATOM 790 C4 DC B 104 -14.317 -2.936 -9.898 1.00 0.00 C ATOM 791 N4 DC B 104 -14.874 -1.723 -9.889 1.00 0.00 N ATOM 792 C5 DC B 104 -14.624 -3.856 -8.842 1.00 0.00 C ATOM 793 C6 DC B 104 -13.985 -5.046 -8.869 1.00 0.00 C ATOM 0 H5' DC B 104 -14.843 -9.727 -8.787 1.00 0.00 H new ATOM 0 H5'' DC B 104 -13.529 -10.421 -7.858 1.00 0.00 H new ATOM 0 H4' DC B 104 -12.690 -9.632 -9.991 1.00 0.00 H new ATOM 0 H3' DC B 104 -11.490 -8.850 -7.526 1.00 0.00 H new ATOM 0 H2' DC B 104 -12.027 -6.512 -7.748 1.00 0.00 H new ATOM 0 H2'' DC B 104 -10.597 -6.560 -8.761 1.00 0.00 H new ATOM 0 H1' DC B 104 -11.871 -6.761 -10.785 1.00 0.00 H new ATOM 0 H41 DC B 104 -15.561 -1.483 -9.175 1.00 0.00 H new ATOM 0 H42 DC B 104 -14.612 -1.036 -10.596 1.00 0.00 H new ATOM 0 H5 DC B 104 -15.331 -3.610 -8.064 1.00 0.00 H new ATOM 0 H6 DC B 104 -14.189 -5.768 -8.092 1.00 0.00 H new ATOM 805 P DC B 105 -8.981 -9.048 -8.657 1.00 0.00 P ATOM 806 OP1 DC B 105 -8.186 -10.033 -9.422 1.00 0.00 O ATOM 807 OP2 DC B 105 -9.062 -9.161 -7.184 1.00 0.00 O ATOM 808 O5' DC B 105 -8.426 -7.574 -9.008 1.00 0.00 O ATOM 809 C5' DC B 105 -8.010 -7.227 -10.316 1.00 0.00 C ATOM 810 C4' DC B 105 -7.744 -5.721 -10.404 1.00 0.00 C ATOM 811 O4' DC B 105 -8.969 -5.015 -10.244 1.00 0.00 O ATOM 812 C3' DC B 105 -6.784 -5.223 -9.305 1.00 0.00 C ATOM 813 O3' DC B 105 -5.818 -4.302 -9.786 1.00 0.00 O ATOM 814 C2' DC B 105 -7.721 -4.440 -8.395 1.00 0.00 C ATOM 815 C1' DC B 105 -8.693 -3.892 -9.439 1.00 0.00 C ATOM 816 N1 DC B 105 -9.933 -3.254 -8.902 1.00 0.00 N ATOM 817 C2 DC B 105 -10.365 -2.060 -9.487 1.00 0.00 C ATOM 818 O2 DC B 105 -9.799 -1.596 -10.470 1.00 0.00 O ATOM 819 N3 DC B 105 -11.436 -1.406 -8.950 1.00 0.00 N ATOM 820 C4 DC B 105 -12.094 -1.919 -7.898 1.00 0.00 C ATOM 821 N4 DC B 105 -13.147 -1.258 -7.407 1.00 0.00 N ATOM 822 C5 DC B 105 -11.729 -3.186 -7.339 1.00 0.00 C ATOM 823 C6 DC B 105 -10.651 -3.811 -7.871 1.00 0.00 C ATOM 0 H5' DC B 105 -8.777 -7.511 -11.037 1.00 0.00 H new ATOM 0 H5'' DC B 105 -7.107 -7.779 -10.577 1.00 0.00 H new ATOM 0 H4' DC B 105 -7.289 -5.540 -11.378 1.00 0.00 H new ATOM 0 H3' DC B 105 -6.235 -6.051 -8.857 1.00 0.00 H new ATOM 0 H2' DC B 105 -8.213 -5.073 -7.657 1.00 0.00 H new ATOM 0 H2'' DC B 105 -7.208 -3.650 -7.846 1.00 0.00 H new ATOM 0 H1' DC B 105 -8.247 -3.057 -9.979 1.00 0.00 H new ATOM 0 H41 DC B 105 -13.658 -1.634 -6.608 1.00 0.00 H new ATOM 0 H42 DC B 105 -13.440 -0.378 -7.831 1.00 0.00 H new ATOM 0 H5 DC B 105 -12.290 -3.625 -6.527 1.00 0.00 H new ATOM 0 H6 DC B 105 -10.349 -4.769 -7.476 1.00 0.00 H new ATOM 835 P DT B 106 -4.537 -4.747 -10.657 1.00 0.00 P ATOM 836 OP1 DT B 106 -4.939 -4.866 -12.077 1.00 0.00 O ATOM 837 OP2 DT B 106 -3.877 -5.881 -9.974 1.00 0.00 O ATOM 838 O5' DT B 106 -3.597 -3.446 -10.494 1.00 0.00 O ATOM 839 C5' DT B 106 -3.982 -2.173 -10.983 1.00 0.00 C ATOM 840 C4' DT B 106 -3.783 -1.112 -9.893 1.00 0.00 C ATOM 841 O4' DT B 106 -4.571 -1.436 -8.759 1.00 0.00 O ATOM 842 C3' DT B 106 -2.322 -0.956 -9.457 1.00 0.00 C ATOM 843 O3' DT B 106 -1.760 0.198 -10.056 1.00 0.00 O ATOM 844 C2' DT B 106 -2.428 -0.846 -7.933 1.00 0.00 C ATOM 845 C1' DT B 106 -3.764 -1.522 -7.601 1.00 0.00 C ATOM 846 N1 DT B 106 -3.758 -2.934 -7.105 1.00 0.00 N ATOM 847 C2 DT B 106 -2.777 -3.860 -7.489 1.00 0.00 C ATOM 848 O2 DT B 106 -1.791 -3.586 -8.164 1.00 0.00 O ATOM 849 N3 DT B 106 -2.937 -5.159 -7.029 1.00 0.00 N ATOM 850 C4 DT B 106 -3.955 -5.621 -6.211 1.00 0.00 C ATOM 851 O4 DT B 106 -3.993 -6.803 -5.881 1.00 0.00 O ATOM 852 C5 DT B 106 -4.900 -4.595 -5.811 1.00 0.00 C ATOM 853 C7 DT B 106 -6.057 -4.945 -4.902 1.00 0.00 C ATOM 854 C6 DT B 106 -4.778 -3.323 -6.267 1.00 0.00 C ATOM 0 H5' DT B 106 -5.026 -2.194 -11.295 1.00 0.00 H new ATOM 0 H5'' DT B 106 -3.391 -1.918 -11.863 1.00 0.00 H new ATOM 0 H4' DT B 106 -4.094 -0.162 -10.327 1.00 0.00 H new ATOM 0 H3' DT B 106 -1.669 -1.775 -9.757 1.00 0.00 H new ATOM 0 H2' DT B 106 -1.595 -1.345 -7.438 1.00 0.00 H new ATOM 0 H2'' DT B 106 -2.415 0.194 -7.607 1.00 0.00 H new ATOM 0 H1' DT B 106 -4.139 -0.978 -6.734 1.00 0.00 H new ATOM 0 H3 DT B 106 -2.237 -5.840 -7.322 1.00 0.00 H new ATOM 0 H71 DT B 106 -6.321 -4.077 -4.299 1.00 0.00 H new ATOM 0 H72 DT B 106 -6.915 -5.243 -5.504 1.00 0.00 H new ATOM 0 H73 DT B 106 -5.769 -5.768 -4.247 1.00 0.00 H new ATOM 0 H6 DT B 106 -5.508 -2.589 -5.961 1.00 0.00 H new ATOM 867 P DG B 107 -0.192 0.565 -9.933 1.00 0.00 P ATOM 868 OP1 DG B 107 0.320 0.888 -11.282 1.00 0.00 O ATOM 869 OP2 DG B 107 0.489 -0.470 -9.123 1.00 0.00 O ATOM 870 O5' DG B 107 -0.188 1.918 -9.064 1.00 0.00 O ATOM 871 C5' DG B 107 -0.948 3.045 -9.447 1.00 0.00 C ATOM 872 C4' DG B 107 -0.661 4.225 -8.515 1.00 0.00 C ATOM 873 O4' DG B 107 -0.844 3.907 -7.142 1.00 0.00 O ATOM 874 C3' DG B 107 0.745 4.799 -8.658 1.00 0.00 C ATOM 875 O3' DG B 107 0.812 5.627 -9.810 1.00 0.00 O ATOM 876 C2' DG B 107 0.810 5.554 -7.336 1.00 0.00 C ATOM 877 C1' DG B 107 0.111 4.622 -6.366 1.00 0.00 C ATOM 878 N9 DG B 107 1.090 3.690 -5.763 1.00 0.00 N ATOM 879 C8 DG B 107 1.200 2.354 -5.995 1.00 0.00 C ATOM 880 N7 DG B 107 1.993 1.718 -5.181 1.00 0.00 N ATOM 881 C5 DG B 107 2.488 2.732 -4.370 1.00 0.00 C ATOM 882 C6 DG B 107 3.362 2.663 -3.246 1.00 0.00 C ATOM 883 O6 DG B 107 3.704 1.672 -2.607 1.00 0.00 O ATOM 884 N1 DG B 107 3.844 3.914 -2.878 1.00 0.00 N ATOM 885 C2 DG B 107 3.439 5.103 -3.454 1.00 0.00 C ATOM 886 N2 DG B 107 4.002 6.221 -2.987 1.00 0.00 N ATOM 887 N3 DG B 107 2.467 5.182 -4.379 1.00 0.00 N ATOM 888 C4 DG B 107 2.046 3.959 -4.809 1.00 0.00 C ATOM 0 H5' DG B 107 -2.010 2.802 -9.419 1.00 0.00 H new ATOM 0 H5'' DG B 107 -0.711 3.319 -10.475 1.00 0.00 H new ATOM 0 H4' DG B 107 -1.391 4.970 -8.833 1.00 0.00 H new ATOM 0 H3' DG B 107 1.570 4.103 -8.807 1.00 0.00 H new ATOM 0 H2' DG B 107 1.839 5.750 -7.035 1.00 0.00 H new ATOM 0 H2'' DG B 107 0.308 6.519 -7.399 1.00 0.00 H new ATOM 0 H1' DG B 107 -0.363 5.166 -5.549 1.00 0.00 H new ATOM 0 H8 DG B 107 0.669 1.858 -6.794 1.00 0.00 H new ATOM 0 H1 DG B 107 4.541 3.957 -2.135 1.00 0.00 H new ATOM 0 H21 DG B 107 3.739 7.126 -3.377 1.00 0.00 H new ATOM 0 H22 DG B 107 4.695 6.170 -2.240 1.00 0.00 H new ATOM 900 P DT B 108 1.997 6.695 -10.050 1.00 0.00 P ATOM 901 OP1 DT B 108 2.252 6.771 -11.505 1.00 0.00 O ATOM 902 OP2 DT B 108 3.112 6.383 -9.130 1.00 0.00 O ATOM 903 O5' DT B 108 1.294 8.070 -9.556 1.00 0.00 O ATOM 904 C5' DT B 108 1.067 9.160 -10.434 1.00 0.00 C ATOM 905 C4' DT B 108 -0.202 9.935 -10.063 1.00 0.00 C ATOM 906 O4' DT B 108 -1.331 9.110 -10.310 1.00 0.00 O ATOM 907 C3' DT B 108 -0.291 10.414 -8.602 1.00 0.00 C ATOM 908 O3' DT B 108 -0.737 11.766 -8.652 1.00 0.00 O ATOM 909 C2' DT B 108 -1.309 9.422 -8.034 1.00 0.00 C ATOM 910 C1' DT B 108 -2.229 9.255 -9.233 1.00 0.00 C ATOM 911 N1 DT B 108 -3.231 8.152 -9.230 1.00 0.00 N ATOM 912 C2 DT B 108 -4.250 8.234 -10.181 1.00 0.00 C ATOM 913 O2 DT B 108 -4.351 9.164 -10.978 1.00 0.00 O ATOM 914 N3 DT B 108 -5.167 7.192 -10.203 1.00 0.00 N ATOM 915 C4 DT B 108 -5.135 6.067 -9.395 1.00 0.00 C ATOM 916 O4 DT B 108 -5.990 5.195 -9.527 1.00 0.00 O ATOM 917 C5 DT B 108 -4.041 6.048 -8.440 1.00 0.00 C ATOM 918 C7 DT B 108 -3.907 4.879 -7.484 1.00 0.00 C ATOM 919 C6 DT B 108 -3.144 7.068 -8.389 1.00 0.00 C ATOM 0 H5' DT B 108 0.982 8.792 -11.456 1.00 0.00 H new ATOM 0 H5'' DT B 108 1.924 9.833 -10.408 1.00 0.00 H new ATOM 0 H4' DT B 108 -0.173 10.833 -10.680 1.00 0.00 H new ATOM 0 H3' DT B 108 0.616 10.424 -7.998 1.00 0.00 H new ATOM 0 H2' DT B 108 -0.848 8.482 -7.731 1.00 0.00 H new ATOM 0 H2'' DT B 108 -1.831 9.817 -7.162 1.00 0.00 H new ATOM 0 H1' DT B 108 -2.897 10.115 -9.264 1.00 0.00 H new ATOM 0 H3 DT B 108 -5.932 7.261 -10.874 1.00 0.00 H new ATOM 0 H71 DT B 108 -4.894 4.471 -7.268 1.00 0.00 H new ATOM 0 H72 DT B 108 -3.286 4.107 -7.938 1.00 0.00 H new ATOM 0 H73 DT B 108 -3.444 5.218 -6.557 1.00 0.00 H new ATOM 0 H6 DT B 108 -2.341 7.026 -7.668 1.00 0.00 H new ATOM 932 P DT B 109 -1.360 12.588 -7.403 1.00 0.00 P ATOM 933 OP1 DT B 109 -0.985 14.011 -7.555 1.00 0.00 O ATOM 934 OP2 DT B 109 -1.046 11.877 -6.142 1.00 0.00 O ATOM 935 O5' DT B 109 -2.946 12.454 -7.692 1.00 0.00 O ATOM 936 C5' DT B 109 -3.528 13.042 -8.847 1.00 0.00 C ATOM 937 C4' DT B 109 -4.994 12.628 -9.046 1.00 0.00 C ATOM 938 O4' DT B 109 -5.105 11.210 -8.951 1.00 0.00 O ATOM 939 C3' DT B 109 -5.974 13.245 -8.033 1.00 0.00 C ATOM 940 O3' DT B 109 -7.180 13.510 -8.734 1.00 0.00 O ATOM 941 C2' DT B 109 -6.049 12.096 -7.036 1.00 0.00 C ATOM 942 C1' DT B 109 -6.089 10.902 -7.984 1.00 0.00 C ATOM 943 N1 DT B 109 -5.812 9.632 -7.264 1.00 0.00 N ATOM 944 C2 DT B 109 -6.649 8.529 -7.441 1.00 0.00 C ATOM 945 O2 DT B 109 -7.544 8.483 -8.280 1.00 0.00 O ATOM 946 N3 DT B 109 -6.404 7.440 -6.612 1.00 0.00 N ATOM 947 C4 DT B 109 -5.354 7.325 -5.707 1.00 0.00 C ATOM 948 O4 DT B 109 -5.252 6.327 -4.999 1.00 0.00 O ATOM 949 C5 DT B 109 -4.455 8.464 -5.687 1.00 0.00 C ATOM 950 C7 DT B 109 -3.137 8.398 -4.940 1.00 0.00 C ATOM 951 C6 DT B 109 -4.725 9.558 -6.436 1.00 0.00 C ATOM 0 H5' DT B 109 -2.951 12.755 -9.726 1.00 0.00 H new ATOM 0 H5'' DT B 109 -3.469 14.127 -8.767 1.00 0.00 H new ATOM 0 H4' DT B 109 -5.270 13.002 -10.032 1.00 0.00 H new ATOM 0 H3' DT B 109 -5.719 14.188 -7.549 1.00 0.00 H new ATOM 0 H2' DT B 109 -5.186 12.068 -6.371 1.00 0.00 H new ATOM 0 H2'' DT B 109 -6.936 12.153 -6.405 1.00 0.00 H new ATOM 0 H1' DT B 109 -7.067 10.745 -8.438 1.00 0.00 H new ATOM 0 H3 DT B 109 -7.052 6.655 -6.673 1.00 0.00 H new ATOM 0 H71 DT B 109 -3.234 7.722 -4.091 1.00 0.00 H new ATOM 0 H72 DT B 109 -2.358 8.032 -5.609 1.00 0.00 H new ATOM 0 H73 DT B 109 -2.871 9.393 -4.583 1.00 0.00 H new ATOM 0 H6 DT B 109 -4.057 10.405 -6.378 1.00 0.00 H new ATOM 964 P DC B 110 -8.584 13.908 -8.036 1.00 0.00 P ATOM 965 OP1 DC B 110 -9.188 15.015 -8.810 1.00 0.00 O ATOM 966 OP2 DC B 110 -8.385 14.052 -6.577 1.00 0.00 O ATOM 967 O5' DC B 110 -9.449 12.571 -8.310 1.00 0.00 O ATOM 968 C5' DC B 110 -9.638 12.090 -9.631 1.00 0.00 C ATOM 969 C4' DC B 110 -10.282 10.700 -9.644 1.00 0.00 C ATOM 970 O4' DC B 110 -10.039 9.994 -8.453 1.00 0.00 O ATOM 971 C3' DC B 110 -11.800 10.688 -9.782 1.00 0.00 C ATOM 972 O3' DC B 110 -12.137 10.939 -11.136 1.00 0.00 O ATOM 973 C2' DC B 110 -12.142 9.298 -9.225 1.00 0.00 C ATOM 974 C1' DC B 110 -10.889 8.865 -8.446 1.00 0.00 C ATOM 975 N1 DC B 110 -11.228 8.341 -7.088 1.00 0.00 N ATOM 976 C2 DC B 110 -10.460 8.685 -5.965 1.00 0.00 C ATOM 977 O2 DC B 110 -9.398 9.297 -6.046 1.00 0.00 O ATOM 978 N3 DC B 110 -10.907 8.309 -4.731 1.00 0.00 N ATOM 979 C4 DC B 110 -12.027 7.590 -4.587 1.00 0.00 C ATOM 980 N4 DC B 110 -12.406 7.249 -3.352 1.00 0.00 N ATOM 981 C5 DC B 110 -12.779 7.146 -5.727 1.00 0.00 C ATOM 982 C6 DC B 110 -12.333 7.536 -6.945 1.00 0.00 C ATOM 0 H5' DC B 110 -8.677 12.050 -10.144 1.00 0.00 H new ATOM 0 H5'' DC B 110 -10.267 12.787 -10.185 1.00 0.00 H new ATOM 0 H4' DC B 110 -9.821 10.245 -10.521 1.00 0.00 H new ATOM 0 H3' DC B 110 -12.368 11.451 -9.250 1.00 0.00 H new ATOM 0 H2' DC B 110 -13.017 9.337 -8.576 1.00 0.00 H new ATOM 0 H2'' DC B 110 -12.371 8.596 -10.027 1.00 0.00 H new ATOM 0 H1' DC B 110 -10.379 8.019 -8.906 1.00 0.00 H new ATOM 0 H41 DC B 110 -13.255 6.701 -3.212 1.00 0.00 H new ATOM 0 H42 DC B 110 -11.846 7.536 -2.549 1.00 0.00 H new ATOM 0 H5 DC B 110 -13.659 6.530 -5.618 1.00 0.00 H new ATOM 0 H6 DC B 110 -12.860 7.205 -7.828 1.00 0.00 H new ATOM 994 P DG B 111 -13.475 10.390 -11.855 1.00 0.00 P ATOM 995 OP1 DG B 111 -13.733 11.227 -13.048 1.00 0.00 O ATOM 996 OP2 DG B 111 -14.533 10.204 -10.837 1.00 0.00 O ATOM 997 O5' DG B 111 -12.981 8.939 -12.362 1.00 0.00 O ATOM 998 C5' DG B 111 -11.702 8.777 -12.948 1.00 0.00 C ATOM 999 C4' DG B 111 -11.539 7.385 -13.556 1.00 0.00 C ATOM 1000 O4' DG B 111 -11.640 6.404 -12.537 1.00 0.00 O ATOM 1001 C3' DG B 111 -12.602 7.072 -14.623 1.00 0.00 C ATOM 1002 O3' DG B 111 -11.944 6.462 -15.720 1.00 0.00 O ATOM 1003 C2' DG B 111 -13.489 6.071 -13.886 1.00 0.00 C ATOM 1004 C1' DG B 111 -12.431 5.360 -13.056 1.00 0.00 C ATOM 1005 N9 DG B 111 -12.982 4.511 -11.980 1.00 0.00 N ATOM 1006 C8 DG B 111 -13.948 4.793 -11.046 1.00 0.00 C ATOM 1007 N7 DG B 111 -14.207 3.797 -10.241 1.00 0.00 N ATOM 1008 C5 DG B 111 -13.318 2.802 -10.635 1.00 0.00 C ATOM 1009 C6 DG B 111 -13.074 1.506 -10.087 1.00 0.00 C ATOM 1010 O6 DG B 111 -13.715 0.923 -9.217 1.00 0.00 O ATOM 1011 N1 DG B 111 -11.941 0.899 -10.628 1.00 0.00 N ATOM 1012 C2 DG B 111 -11.190 1.442 -11.659 1.00 0.00 C ATOM 1013 N2 DG B 111 -10.147 0.745 -12.115 1.00 0.00 N ATOM 1014 N3 DG B 111 -11.456 2.631 -12.216 1.00 0.00 N ATOM 1015 C4 DG B 111 -12.521 3.260 -11.656 1.00 0.00 C ATOM 0 H5' DG B 111 -10.932 8.939 -12.194 1.00 0.00 H new ATOM 0 H5'' DG B 111 -11.556 9.532 -13.720 1.00 0.00 H new ATOM 0 H4' DG B 111 -10.559 7.367 -14.033 1.00 0.00 H new ATOM 0 H3' DG B 111 -13.158 7.925 -15.012 1.00 0.00 H new ATOM 0 H2' DG B 111 -14.247 6.556 -13.271 1.00 0.00 H new ATOM 0 H2'' DG B 111 -14.012 5.397 -14.564 1.00 0.00 H new ATOM 0 H1' DG B 111 -11.868 4.656 -13.668 1.00 0.00 H new ATOM 0 H8 DG B 111 -14.447 5.749 -10.983 1.00 0.00 H new ATOM 0 H1 DG B 111 -11.647 0.002 -10.242 1.00 0.00 H new ATOM 0 H21 DG B 111 -9.576 1.119 -12.873 1.00 0.00 H new ATOM 0 H22 DG B 111 -9.921 -0.162 -11.706 1.00 0.00 H new ATOM 1027 P DG B 112 -12.633 6.274 -17.169 1.00 0.00 P ATOM 1028 OP1 DG B 112 -12.136 7.341 -18.065 1.00 0.00 O ATOM 1029 OP2 DG B 112 -14.088 6.075 -16.992 1.00 0.00 O ATOM 1030 O5' DG B 112 -11.991 4.870 -17.631 1.00 0.00 O ATOM 1031 C5' DG B 112 -10.617 4.753 -17.946 1.00 0.00 C ATOM 1032 C4' DG B 112 -10.186 3.282 -17.932 1.00 0.00 C ATOM 1033 O4' DG B 112 -10.469 2.738 -16.651 1.00 0.00 O ATOM 1034 C3' DG B 112 -10.910 2.420 -18.976 1.00 0.00 C ATOM 1035 O3' DG B 112 -9.999 1.443 -19.455 1.00 0.00 O ATOM 1036 C2' DG B 112 -12.033 1.808 -18.146 1.00 0.00 C ATOM 1037 C1' DG B 112 -11.334 1.629 -16.805 1.00 0.00 C ATOM 1038 N9 DG B 112 -12.298 1.554 -15.686 1.00 0.00 N ATOM 1039 C8 DG B 112 -13.287 2.442 -15.340 1.00 0.00 C ATOM 1040 N7 DG B 112 -14.029 2.054 -14.342 1.00 0.00 N ATOM 1041 C5 DG B 112 -13.486 0.827 -13.985 1.00 0.00 C ATOM 1042 C6 DG B 112 -13.876 -0.086 -12.963 1.00 0.00 C ATOM 1043 O6 DG B 112 -14.826 0.015 -12.195 1.00 0.00 O ATOM 1044 N1 DG B 112 -13.035 -1.194 -12.881 1.00 0.00 N ATOM 1045 C2 DG B 112 -11.952 -1.410 -13.711 1.00 0.00 C ATOM 1046 N2 DG B 112 -11.250 -2.532 -13.528 1.00 0.00 N ATOM 1047 N3 DG B 112 -11.598 -0.563 -14.690 1.00 0.00 N ATOM 1048 C4 DG B 112 -12.401 0.531 -14.775 1.00 0.00 C ATOM 0 H5' DG B 112 -10.024 5.319 -17.228 1.00 0.00 H new ATOM 0 H5'' DG B 112 -10.425 5.185 -18.928 1.00 0.00 H new ATOM 0 H4' DG B 112 -9.122 3.265 -18.170 1.00 0.00 H new ATOM 0 H3' DG B 112 -11.284 2.944 -19.856 1.00 0.00 H new ATOM 0 H2' DG B 112 -12.900 2.465 -18.075 1.00 0.00 H new ATOM 0 H2'' DG B 112 -12.383 0.862 -18.559 1.00 0.00 H new ATOM 0 H1' DG B 112 -10.782 0.689 -16.788 1.00 0.00 H new ATOM 0 H8 DG B 112 -13.437 3.381 -15.851 1.00 0.00 H new ATOM 0 H1 DG B 112 -13.232 -1.890 -12.162 1.00 0.00 H new ATOM 0 H21 DG B 112 -10.443 -2.731 -14.119 1.00 0.00 H new ATOM 0 H22 DG B 112 -11.521 -3.190 -12.797 1.00 0.00 H new ATOM 1060 P DG B 113 -10.411 0.313 -20.537 1.00 0.00 P ATOM 1061 OP1 DG B 113 -9.204 -0.036 -21.318 1.00 0.00 O ATOM 1062 OP2 DG B 113 -11.636 0.759 -21.240 1.00 0.00 O ATOM 1063 O5' DG B 113 -10.795 -0.951 -19.609 1.00 0.00 O ATOM 1064 C5' DG B 113 -9.799 -1.679 -18.913 1.00 0.00 C ATOM 1065 C4' DG B 113 -10.414 -2.843 -18.129 1.00 0.00 C ATOM 1066 O4' DG B 113 -11.282 -2.350 -17.121 1.00 0.00 O ATOM 1067 C3' DG B 113 -11.229 -3.800 -19.014 1.00 0.00 C ATOM 1068 O3' DG B 113 -10.817 -5.134 -18.740 1.00 0.00 O ATOM 1069 C2' DG B 113 -12.653 -3.520 -18.550 1.00 0.00 C ATOM 1070 C1' DG B 113 -12.415 -3.191 -17.086 1.00 0.00 C ATOM 1071 N9 DG B 113 -13.578 -2.503 -16.487 1.00 0.00 N ATOM 1072 C8 DG B 113 -14.161 -1.329 -16.882 1.00 0.00 C ATOM 1073 N7 DG B 113 -15.182 -0.967 -16.156 1.00 0.00 N ATOM 1074 C5 DG B 113 -15.285 -1.976 -15.202 1.00 0.00 C ATOM 1075 C6 DG B 113 -16.206 -2.132 -14.122 1.00 0.00 C ATOM 1076 O6 DG B 113 -17.115 -1.380 -13.775 1.00 0.00 O ATOM 1077 N1 DG B 113 -15.987 -3.306 -13.411 1.00 0.00 N ATOM 1078 C2 DG B 113 -14.987 -4.218 -13.678 1.00 0.00 C ATOM 1079 N2 DG B 113 -14.967 -5.330 -12.932 1.00 0.00 N ATOM 1080 N3 DG B 113 -14.102 -4.058 -14.675 1.00 0.00 N ATOM 1081 C4 DG B 113 -14.308 -2.925 -15.401 1.00 0.00 C ATOM 0 H5' DG B 113 -9.270 -1.015 -18.229 1.00 0.00 H new ATOM 0 H5'' DG B 113 -9.063 -2.061 -19.620 1.00 0.00 H new ATOM 0 H4' DG B 113 -9.575 -3.392 -17.702 1.00 0.00 H new ATOM 0 H3' DG B 113 -11.114 -3.668 -20.090 1.00 0.00 H new ATOM 0 H2' DG B 113 -13.109 -2.691 -19.091 1.00 0.00 H new ATOM 0 H2'' DG B 113 -13.307 -4.382 -18.679 1.00 0.00 H new ATOM 0 H1' DG B 113 -12.267 -4.080 -16.473 1.00 0.00 H new ATOM 0 H8 DG B 113 -13.806 -0.752 -17.723 1.00 0.00 H new ATOM 0 H1 DG B 113 -16.614 -3.509 -12.632 1.00 0.00 H new ATOM 0 H21 DG B 113 -14.248 -6.037 -13.089 1.00 0.00 H new ATOM 0 H22 DG B 113 -15.671 -5.470 -12.207 1.00 0.00 H new ATOM 1093 P DC B 114 -11.490 -6.428 -19.440 1.00 0.00 P ATOM 1094 OP1 DC B 114 -10.446 -7.465 -19.588 1.00 0.00 O ATOM 1095 OP2 DC B 114 -12.254 -5.981 -20.626 1.00 0.00 O ATOM 1096 O5' DC B 114 -12.547 -6.938 -18.329 1.00 0.00 O ATOM 1097 C5' DC B 114 -12.108 -7.509 -17.109 1.00 0.00 C ATOM 1098 C4' DC B 114 -13.304 -7.920 -16.246 1.00 0.00 C ATOM 1099 O4' DC B 114 -14.097 -6.781 -15.973 1.00 0.00 O ATOM 1100 C3' DC B 114 -14.208 -8.960 -16.925 1.00 0.00 C ATOM 1101 O3' DC B 114 -14.443 -10.048 -16.056 1.00 0.00 O ATOM 1102 C2' DC B 114 -15.512 -8.208 -17.161 1.00 0.00 C ATOM 1103 C1' DC B 114 -15.460 -7.142 -16.067 1.00 0.00 C ATOM 1104 N1 DC B 114 -16.264 -5.939 -16.414 1.00 0.00 N ATOM 1105 C2 DC B 114 -17.313 -5.540 -15.582 1.00 0.00 C ATOM 1106 O2 DC B 114 -17.639 -6.206 -14.601 1.00 0.00 O ATOM 1107 N3 DC B 114 -17.945 -4.362 -15.856 1.00 0.00 N ATOM 1108 C4 DC B 114 -17.589 -3.606 -16.906 1.00 0.00 C ATOM 1109 N4 DC B 114 -18.214 -2.440 -17.096 1.00 0.00 N ATOM 1110 C5 DC B 114 -16.533 -4.012 -17.791 1.00 0.00 C ATOM 1111 C6 DC B 114 -15.910 -5.178 -17.501 1.00 0.00 C ATOM 0 H5' DC B 114 -11.491 -6.793 -16.567 1.00 0.00 H new ATOM 0 H5'' DC B 114 -11.483 -8.379 -17.312 1.00 0.00 H new ATOM 0 H4' DC B 114 -12.893 -8.363 -15.339 1.00 0.00 H new ATOM 0 H3' DC B 114 -13.770 -9.364 -17.837 1.00 0.00 H new ATOM 0 H2' DC B 114 -15.556 -7.769 -18.158 1.00 0.00 H new ATOM 0 H2'' DC B 114 -16.382 -8.856 -17.059 1.00 0.00 H new ATOM 0 HO3' DC B 114 -15.022 -10.702 -16.500 1.00 0.00 H new ATOM 0 H1' DC B 114 -15.872 -7.529 -15.135 1.00 0.00 H new ATOM 0 H41 DC B 114 -17.960 -1.848 -17.887 1.00 0.00 H new ATOM 0 H42 DC B 114 -18.945 -2.142 -16.450 1.00 0.00 H new ATOM 0 H5 DC B 114 -16.250 -3.416 -18.646 1.00 0.00 H new ATOM 0 H6 DC B 114 -15.112 -5.520 -18.143 1.00 0.00 H new TER 1124 DC B 114