USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 657 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 84 GLN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Set 1.2: A 121 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 87 ASN : amide:sc= 1.79 K(o=1.9,f=-8.7!) USER MOD Set 2.2: A 90 THR OG1 : rot 170:sc= 0.0867 USER MOD Single : A 81 LYS NZ :NH3+ 169:sc= 1.25 (180deg=1.05) USER MOD Single : A 83 LYS NZ :NH3+ -176:sc= 2.32 (180deg=2.16) USER MOD Single : A 85 TYR OH : rot 1:sc= -0.43 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.133 USER MOD Single : A 97 LYS NZ :NH3+ 165:sc= 1.22 (180deg=1) USER MOD Single : A 100 ASN : amide:sc= 0.0508 K(o=0.051,f=-1.3) USER MOD Single : A 101 HIS : no HE2:sc= 0.778 K(o=0.78,f=-2.4!) USER MOD Single : A 102 LYS NZ :NH3+ -177:sc= 1.27 (180deg=1.17) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -160:sc= 1.15 (180deg=0.499) USER MOD Single : A 108 LYS NZ :NH3+ -144:sc= 2.28 (180deg=-0.504) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot 86:sc= 1.22 USER MOD Single : A 125 HIS : no HE2:sc= 0.906 K(o=0.91,f=-3.3!) USER MOD Single : B 1 DC O5' : rot 180:sc= 0 USER MOD Single : B 5 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 9 DT C7 :methyl 150:sc= -0.31 (180deg=-0.31) 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= -0.172 (180deg=-0.172) USER MOD Single : C 21 DT C7 :methyl -30:sc= -0.697 (180deg=-1.25) USER MOD Single : C 24 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 79 -1.105 6.766 9.566 1.00 1.00 N ATOM 2 CA ALA A 79 0.082 6.171 8.893 1.00 1.00 C ATOM 3 C ALA A 79 0.369 6.873 7.565 1.00 1.00 C ATOM 4 O ALA A 79 -0.527 7.466 6.977 1.00 1.00 O ATOM 5 CB ALA A 79 -0.155 4.665 8.678 1.00 1.00 C ATOM 0 HA ALA A 79 0.956 6.308 9.529 1.00 1.00 H new ATOM 0 HB1 ALA A 79 0.713 4.227 8.185 1.00 1.00 H new ATOM 0 HB2 ALA A 79 -0.309 4.180 9.642 1.00 1.00 H new ATOM 0 HB3 ALA A 79 -1.037 4.521 8.055 1.00 1.00 H new ATOM 11 N ARG A 80 1.611 6.796 7.073 1.00 1.00 N ATOM 12 CA ARG A 80 2.076 7.323 5.766 1.00 1.00 C ATOM 13 C ARG A 80 1.454 6.603 4.548 1.00 1.00 C ATOM 14 O ARG A 80 2.143 5.969 3.753 1.00 1.00 O ATOM 15 CB ARG A 80 3.619 7.345 5.738 1.00 1.00 C ATOM 16 CG ARG A 80 4.156 8.389 6.729 1.00 1.00 C ATOM 17 CD ARG A 80 3.899 9.834 6.272 1.00 1.00 C ATOM 18 NE ARG A 80 3.170 10.622 7.293 1.00 1.00 N ATOM 19 CZ ARG A 80 3.716 11.243 8.322 1.00 1.00 C ATOM 20 NH1 ARG A 80 4.970 11.145 8.624 1.00 1.00 N ATOM 21 NH2 ARG A 80 3.044 12.041 9.090 1.00 1.00 N ATOM 0 H ARG A 80 2.363 6.344 7.594 1.00 1.00 H new ATOM 0 HA ARG A 80 1.715 8.347 5.671 1.00 1.00 H new ATOM 0 HB2 ARG A 80 4.008 6.359 5.992 1.00 1.00 H new ATOM 0 HB3 ARG A 80 3.968 7.576 4.731 1.00 1.00 H new ATOM 0 HG2 ARG A 80 3.690 8.233 7.702 1.00 1.00 H new ATOM 0 HG3 ARG A 80 5.228 8.240 6.861 1.00 1.00 H new ATOM 0 HD2 ARG A 80 4.850 10.319 6.052 1.00 1.00 H new ATOM 0 HD3 ARG A 80 3.325 9.824 5.345 1.00 1.00 H new ATOM 0 HE ARG A 80 2.157 10.691 7.192 1.00 1.00 H new ATOM 0 HH11 ARG A 80 5.588 10.566 8.055 1.00 1.00 H new ATOM 0 HH12 ARG A 80 5.341 11.647 9.431 1.00 1.00 H new ATOM 0 HH21 ARG A 80 2.054 12.209 8.910 1.00 1.00 H new ATOM 0 HH22 ARG A 80 3.505 12.501 9.875 1.00 1.00 H new ATOM 35 N LYS A 81 0.124 6.669 4.441 1.00 1.00 N ATOM 36 CA LYS A 81 -0.733 6.181 3.366 1.00 1.00 C ATOM 37 C LYS A 81 -0.297 6.767 2.030 1.00 1.00 C ATOM 38 O LYS A 81 0.006 7.951 1.896 1.00 1.00 O ATOM 39 CB LYS A 81 -2.184 6.606 3.668 1.00 1.00 C ATOM 40 CG LYS A 81 -2.818 5.837 4.841 1.00 1.00 C ATOM 41 CD LYS A 81 -3.863 6.690 5.577 1.00 1.00 C ATOM 42 CE LYS A 81 -4.658 5.814 6.559 1.00 1.00 C ATOM 43 NZ LYS A 81 -5.447 6.641 7.517 1.00 1.00 N ATOM 0 H LYS A 81 -0.429 7.108 5.177 1.00 1.00 H new ATOM 0 HA LYS A 81 -0.660 5.095 3.306 1.00 1.00 H new ATOM 0 HB2 LYS A 81 -2.203 7.673 3.891 1.00 1.00 H new ATOM 0 HB3 LYS A 81 -2.791 6.456 2.775 1.00 1.00 H new ATOM 0 HG2 LYS A 81 -3.287 4.926 4.469 1.00 1.00 H new ATOM 0 HG3 LYS A 81 -2.039 5.531 5.540 1.00 1.00 H new ATOM 0 HD2 LYS A 81 -3.370 7.499 6.116 1.00 1.00 H new ATOM 0 HD3 LYS A 81 -4.540 7.151 4.858 1.00 1.00 H new ATOM 0 HE2 LYS A 81 -5.330 5.160 6.003 1.00 1.00 H new ATOM 0 HE3 LYS A 81 -3.972 5.171 7.111 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -6.109 6.032 8.038 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 -4.802 7.105 8.188 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -5.981 7.364 6.994 1.00 1.00 H new ATOM 57 N VAL A 82 -0.291 5.888 1.045 1.00 1.00 N ATOM 58 CA VAL A 82 -0.087 6.216 -0.364 1.00 1.00 C ATOM 59 C VAL A 82 -1.349 6.814 -0.969 1.00 1.00 C ATOM 60 O VAL A 82 -2.447 6.281 -0.796 1.00 1.00 O ATOM 61 CB VAL A 82 0.258 4.953 -1.182 1.00 1.00 C ATOM 62 CG1 VAL A 82 0.399 5.248 -2.685 1.00 1.00 C ATOM 63 CG2 VAL A 82 1.538 4.307 -0.650 1.00 1.00 C ATOM 0 H VAL A 82 -0.432 4.890 1.204 1.00 1.00 H new ATOM 0 HA VAL A 82 0.734 6.932 -0.405 1.00 1.00 H new ATOM 0 HB VAL A 82 -0.575 4.259 -1.065 1.00 1.00 H new ATOM 0 HG11 VAL A 82 0.642 4.327 -3.215 1.00 1.00 H new ATOM 0 HG12 VAL A 82 -0.540 5.650 -3.067 1.00 1.00 H new ATOM 0 HG13 VAL A 82 1.195 5.977 -2.840 1.00 1.00 H new ATOM 0 HG21 VAL A 82 1.768 3.418 -1.237 1.00 1.00 H new ATOM 0 HG22 VAL A 82 2.362 5.016 -0.727 1.00 1.00 H new ATOM 0 HG23 VAL A 82 1.397 4.026 0.394 1.00 1.00 H new ATOM 73 N LYS A 83 -1.187 7.884 -1.743 1.00 1.00 N ATOM 74 CA LYS A 83 -2.217 8.426 -2.608 1.00 1.00 C ATOM 75 C LYS A 83 -1.728 8.297 -4.044 1.00 1.00 C ATOM 76 O LYS A 83 -0.631 8.732 -4.400 1.00 1.00 O ATOM 77 CB LYS A 83 -2.623 9.861 -2.229 1.00 1.00 C ATOM 78 CG LYS A 83 -4.123 9.929 -1.958 1.00 1.00 C ATOM 79 CD LYS A 83 -4.469 11.154 -1.122 1.00 1.00 C ATOM 80 CE LYS A 83 -3.820 12.478 -1.533 1.00 1.00 C ATOM 81 NZ LYS A 83 -4.088 13.535 -0.535 1.00 1.00 N ATOM 0 H LYS A 83 -0.312 8.407 -1.783 1.00 1.00 H new ATOM 0 HA LYS A 83 -3.139 7.857 -2.487 1.00 1.00 H new ATOM 0 HB2 LYS A 83 -2.071 10.182 -1.345 1.00 1.00 H new ATOM 0 HB3 LYS A 83 -2.360 10.546 -3.035 1.00 1.00 H new ATOM 0 HG2 LYS A 83 -4.666 9.963 -2.902 1.00 1.00 H new ATOM 0 HG3 LYS A 83 -4.444 9.026 -1.438 1.00 1.00 H new ATOM 0 HD2 LYS A 83 -5.551 11.285 -1.144 1.00 1.00 H new ATOM 0 HD3 LYS A 83 -4.194 10.948 -0.088 1.00 1.00 H new ATOM 0 HE2 LYS A 83 -2.744 12.341 -1.642 1.00 1.00 H new ATOM 0 HE3 LYS A 83 -4.202 12.787 -2.506 1.00 1.00 H new ATOM 0 HZ1 LYS A 83 -3.695 14.437 -0.871 1.00 1.00 H new ATOM 0 HZ2 LYS A 83 -5.115 13.633 -0.401 1.00 1.00 H new ATOM 0 HZ3 LYS A 83 -3.643 13.279 0.370 1.00 1.00 H new ATOM 95 N GLN A 84 -2.511 7.593 -4.850 1.00 1.00 N ATOM 96 CA GLN A 84 -2.344 7.562 -6.278 1.00 1.00 C ATOM 97 C GLN A 84 -2.941 8.869 -6.779 1.00 1.00 C ATOM 98 O GLN A 84 -3.936 9.356 -6.248 1.00 1.00 O ATOM 99 CB GLN A 84 -3.026 6.312 -6.870 1.00 1.00 C ATOM 100 CG GLN A 84 -3.747 6.504 -8.208 1.00 1.00 C ATOM 101 CD GLN A 84 -4.286 5.176 -8.741 1.00 1.00 C ATOM 102 OE1 GLN A 84 -5.470 4.876 -8.668 1.00 1.00 O ATOM 103 NE2 GLN A 84 -3.441 4.315 -9.273 1.00 1.00 N ATOM 0 H GLN A 84 -3.288 7.023 -4.516 1.00 1.00 H new ATOM 0 HA GLN A 84 -1.301 7.485 -6.585 1.00 1.00 H new ATOM 0 HB2 GLN A 84 -2.270 5.537 -6.996 1.00 1.00 H new ATOM 0 HB3 GLN A 84 -3.747 5.938 -6.143 1.00 1.00 H new ATOM 0 HG2 GLN A 84 -4.569 7.209 -8.083 1.00 1.00 H new ATOM 0 HG3 GLN A 84 -3.061 6.939 -8.935 1.00 1.00 H new ATOM 0 HE21 GLN A 84 -2.451 4.549 -9.342 1.00 1.00 H new ATOM 0 HE22 GLN A 84 -3.778 3.415 -9.616 1.00 1.00 H new ATOM 112 N TYR A 85 -2.363 9.393 -7.845 1.00 1.00 N ATOM 113 CA TYR A 85 -2.868 10.551 -8.570 1.00 1.00 C ATOM 114 C TYR A 85 -2.934 10.182 -10.052 1.00 1.00 C ATOM 115 O TYR A 85 -2.024 9.522 -10.551 1.00 1.00 O ATOM 116 CB TYR A 85 -1.952 11.759 -8.316 1.00 1.00 C ATOM 117 CG TYR A 85 -1.723 12.133 -6.866 1.00 1.00 C ATOM 118 CD1 TYR A 85 -2.604 13.030 -6.236 1.00 1.00 C ATOM 119 CD2 TYR A 85 -0.608 11.633 -6.165 1.00 1.00 C ATOM 120 CE1 TYR A 85 -2.374 13.447 -4.911 1.00 1.00 C ATOM 121 CE2 TYR A 85 -0.372 12.039 -4.839 1.00 1.00 C ATOM 122 CZ TYR A 85 -1.255 12.947 -4.208 1.00 1.00 C ATOM 123 OH TYR A 85 -1.035 13.326 -2.920 1.00 1.00 O ATOM 0 H TYR A 85 -1.504 9.015 -8.244 1.00 1.00 H new ATOM 0 HA TYR A 85 -3.866 10.829 -8.230 1.00 1.00 H new ATOM 0 HB2 TYR A 85 -0.984 11.557 -8.774 1.00 1.00 H new ATOM 0 HB3 TYR A 85 -2.374 12.623 -8.830 1.00 1.00 H new ATOM 0 HD1 TYR A 85 -3.464 13.402 -6.773 1.00 1.00 H new ATOM 0 HD2 TYR A 85 0.065 10.938 -6.645 1.00 1.00 H new ATOM 0 HE1 TYR A 85 -3.048 14.144 -4.435 1.00 1.00 H new ATOM 0 HE2 TYR A 85 0.484 11.657 -4.302 1.00 1.00 H new ATOM 0 HH TYR A 85 -1.750 13.931 -2.630 1.00 1.00 H new ATOM 133 N LYS A 86 -3.983 10.602 -10.761 1.00 1.00 N ATOM 134 CA LYS A 86 -4.189 10.332 -12.194 1.00 1.00 C ATOM 135 C LYS A 86 -4.582 11.620 -12.907 1.00 1.00 C ATOM 136 O LYS A 86 -5.484 12.317 -12.459 1.00 1.00 O ATOM 137 CB LYS A 86 -5.252 9.231 -12.349 1.00 1.00 C ATOM 138 CG LYS A 86 -5.654 9.013 -13.819 1.00 1.00 C ATOM 139 CD LYS A 86 -6.444 7.706 -13.973 1.00 1.00 C ATOM 140 CE LYS A 86 -6.748 7.444 -15.456 1.00 1.00 C ATOM 141 NZ LYS A 86 -7.562 6.211 -15.639 1.00 1.00 N ATOM 0 H LYS A 86 -4.735 11.154 -10.348 1.00 1.00 H new ATOM 0 HA LYS A 86 -3.268 9.976 -12.655 1.00 1.00 H new ATOM 0 HB2 LYS A 86 -4.869 8.298 -11.937 1.00 1.00 H new ATOM 0 HB3 LYS A 86 -6.135 9.497 -11.768 1.00 1.00 H new ATOM 0 HG2 LYS A 86 -6.257 9.852 -14.165 1.00 1.00 H new ATOM 0 HG3 LYS A 86 -4.762 8.982 -14.445 1.00 1.00 H new ATOM 0 HD2 LYS A 86 -5.872 6.876 -13.559 1.00 1.00 H new ATOM 0 HD3 LYS A 86 -7.374 7.766 -13.408 1.00 1.00 H new ATOM 0 HE2 LYS A 86 -7.280 8.298 -15.875 1.00 1.00 H new ATOM 0 HE3 LYS A 86 -5.813 7.349 -16.008 1.00 1.00 H new ATOM 0 HZ1 LYS A 86 -7.748 6.065 -16.652 1.00 1.00 H new ATOM 0 HZ2 LYS A 86 -7.043 5.393 -15.261 1.00 1.00 H new ATOM 0 HZ3 LYS A 86 -8.464 6.312 -15.132 1.00 1.00 H new ATOM 155 N ASN A 87 -3.905 11.943 -14.002 1.00 1.00 N ATOM 156 CA ASN A 87 -4.074 13.214 -14.696 1.00 1.00 C ATOM 157 C ASN A 87 -5.083 13.097 -15.858 1.00 1.00 C ATOM 158 O ASN A 87 -4.764 12.474 -16.879 1.00 1.00 O ATOM 159 CB ASN A 87 -2.689 13.671 -15.159 1.00 1.00 C ATOM 160 CG ASN A 87 -2.684 15.063 -15.755 1.00 1.00 C ATOM 161 OD1 ASN A 87 -3.652 15.535 -16.335 1.00 1.00 O ATOM 162 ND2 ASN A 87 -1.608 15.783 -15.592 1.00 1.00 N ATOM 0 H ASN A 87 -3.219 11.326 -14.437 1.00 1.00 H new ATOM 0 HA ASN A 87 -4.498 13.963 -14.027 1.00 1.00 H new ATOM 0 HB2 ASN A 87 -2.003 13.644 -14.312 1.00 1.00 H new ATOM 0 HB3 ASN A 87 -2.310 12.966 -15.899 1.00 1.00 H new ATOM 0 HD21 ASN A 87 -1.575 16.738 -15.948 1.00 1.00 H new ATOM 0 HD22 ASN A 87 -0.800 15.391 -15.108 1.00 1.00 H new ATOM 169 N PRO A 88 -6.277 13.716 -15.765 1.00 1.00 N ATOM 170 CA PRO A 88 -7.300 13.654 -16.813 1.00 1.00 C ATOM 171 C PRO A 88 -6.900 14.344 -18.135 1.00 1.00 C ATOM 172 O PRO A 88 -7.535 14.090 -19.161 1.00 1.00 O ATOM 173 CB PRO A 88 -8.562 14.268 -16.190 1.00 1.00 C ATOM 174 CG PRO A 88 -8.037 15.179 -15.081 1.00 1.00 C ATOM 175 CD PRO A 88 -6.778 14.459 -14.617 1.00 1.00 C ATOM 0 HA PRO A 88 -7.457 12.620 -17.120 1.00 1.00 H new ATOM 0 HB2 PRO A 88 -9.135 14.830 -16.927 1.00 1.00 H new ATOM 0 HB3 PRO A 88 -9.223 13.498 -15.792 1.00 1.00 H new ATOM 0 HG2 PRO A 88 -7.817 16.180 -15.451 1.00 1.00 H new ATOM 0 HG3 PRO A 88 -8.760 15.290 -14.273 1.00 1.00 H new ATOM 0 HD2 PRO A 88 -6.033 15.171 -14.261 1.00 1.00 H new ATOM 0 HD3 PRO A 88 -6.999 13.788 -13.787 1.00 1.00 H new ATOM 183 N HIS A 89 -5.852 15.182 -18.142 1.00 1.00 N ATOM 184 CA HIS A 89 -5.342 15.873 -19.339 1.00 1.00 C ATOM 185 C HIS A 89 -4.275 15.083 -20.120 1.00 1.00 C ATOM 186 O HIS A 89 -4.074 15.360 -21.303 1.00 1.00 O ATOM 187 CB HIS A 89 -4.805 17.260 -18.942 1.00 1.00 C ATOM 188 CG HIS A 89 -5.811 18.090 -18.186 1.00 1.00 C ATOM 189 ND1 HIS A 89 -6.888 18.762 -18.739 1.00 1.00 N ATOM 190 CD2 HIS A 89 -5.837 18.296 -16.833 1.00 1.00 C ATOM 191 CE1 HIS A 89 -7.551 19.380 -17.741 1.00 1.00 C ATOM 192 NE2 HIS A 89 -6.928 19.112 -16.575 1.00 1.00 N ATOM 0 H HIS A 89 -5.323 15.404 -17.298 1.00 1.00 H new ATOM 0 HA HIS A 89 -6.185 15.971 -20.022 1.00 1.00 H new ATOM 0 HB2 HIS A 89 -3.912 17.135 -18.329 1.00 1.00 H new ATOM 0 HB3 HIS A 89 -4.502 17.797 -19.841 1.00 1.00 H new ATOM 0 HD2 HIS A 89 -5.142 17.900 -16.107 1.00 1.00 H new ATOM 0 HE1 HIS A 89 -8.435 19.989 -17.856 1.00 1.00 H new ATOM 0 HE2 HIS A 89 -7.212 19.453 -15.657 1.00 1.00 H new ATOM 201 N THR A 90 -3.605 14.106 -19.494 1.00 1.00 N ATOM 202 CA THR A 90 -2.446 13.388 -20.083 1.00 1.00 C ATOM 203 C THR A 90 -2.533 11.857 -20.017 1.00 1.00 C ATOM 204 O THR A 90 -1.866 11.179 -20.801 1.00 1.00 O ATOM 205 CB THR A 90 -1.136 13.800 -19.391 1.00 1.00 C ATOM 206 OG1 THR A 90 -1.141 13.338 -18.058 1.00 1.00 O ATOM 207 CG2 THR A 90 -0.933 15.309 -19.325 1.00 1.00 C ATOM 0 H THR A 90 -3.847 13.783 -18.557 1.00 1.00 H new ATOM 0 HA THR A 90 -2.464 13.679 -21.133 1.00 1.00 H new ATOM 0 HB THR A 90 -0.335 13.362 -19.987 1.00 1.00 H new ATOM 0 HG1 THR A 90 -0.251 13.461 -17.666 1.00 1.00 H new ATOM 0 HG21 THR A 90 0.010 15.528 -18.824 1.00 1.00 H new ATOM 0 HG22 THR A 90 -0.911 15.718 -20.335 1.00 1.00 H new ATOM 0 HG23 THR A 90 -1.753 15.762 -18.768 1.00 1.00 H new ATOM 215 N GLY A 91 -3.343 11.296 -19.113 1.00 1.00 N ATOM 216 CA GLY A 91 -3.408 9.849 -18.860 1.00 1.00 C ATOM 217 C GLY A 91 -2.218 9.290 -18.059 1.00 1.00 C ATOM 218 O GLY A 91 -2.075 8.072 -17.945 1.00 1.00 O ATOM 0 H GLY A 91 -3.980 11.838 -18.529 1.00 1.00 H new ATOM 0 HA2 GLY A 91 -4.329 9.628 -18.321 1.00 1.00 H new ATOM 0 HA3 GLY A 91 -3.464 9.327 -19.815 1.00 1.00 H new ATOM 222 N GLU A 92 -1.355 10.150 -17.507 1.00 1.00 N ATOM 223 CA GLU A 92 -0.314 9.787 -16.565 1.00 1.00 C ATOM 224 C GLU A 92 -0.944 9.460 -15.206 1.00 1.00 C ATOM 225 O GLU A 92 -1.932 10.059 -14.779 1.00 1.00 O ATOM 226 CB GLU A 92 0.657 10.961 -16.358 1.00 1.00 C ATOM 227 CG GLU A 92 1.535 11.318 -17.560 1.00 1.00 C ATOM 228 CD GLU A 92 2.393 12.571 -17.273 1.00 1.00 C ATOM 229 OE1 GLU A 92 1.849 13.610 -16.824 1.00 1.00 O ATOM 230 OE2 GLU A 92 3.626 12.519 -17.511 1.00 1.00 O ATOM 0 H GLU A 92 -1.370 11.148 -17.717 1.00 1.00 H new ATOM 0 HA GLU A 92 0.221 8.926 -16.965 1.00 1.00 H new ATOM 0 HB2 GLU A 92 0.078 11.842 -16.080 1.00 1.00 H new ATOM 0 HB3 GLU A 92 1.306 10.727 -15.514 1.00 1.00 H new ATOM 0 HG2 GLU A 92 2.185 10.477 -17.802 1.00 1.00 H new ATOM 0 HG3 GLU A 92 0.907 11.496 -18.433 1.00 1.00 H new ATOM 237 N VAL A 93 -0.298 8.551 -14.494 1.00 1.00 N ATOM 238 CA VAL A 93 -0.599 8.142 -13.122 1.00 1.00 C ATOM 239 C VAL A 93 0.695 8.108 -12.303 1.00 1.00 C ATOM 240 O VAL A 93 1.794 7.897 -12.822 1.00 1.00 O ATOM 241 CB VAL A 93 -1.282 6.764 -13.113 1.00 1.00 C ATOM 242 CG1 VAL A 93 -1.813 6.333 -11.729 1.00 1.00 C ATOM 243 CG2 VAL A 93 -2.469 6.719 -14.088 1.00 1.00 C ATOM 0 H VAL A 93 0.500 8.045 -14.878 1.00 1.00 H new ATOM 0 HA VAL A 93 -1.283 8.862 -12.674 1.00 1.00 H new ATOM 0 HB VAL A 93 -0.493 6.075 -13.414 1.00 1.00 H new ATOM 0 HG11 VAL A 93 -2.280 5.351 -11.808 1.00 1.00 H new ATOM 0 HG12 VAL A 93 -0.986 6.285 -11.021 1.00 1.00 H new ATOM 0 HG13 VAL A 93 -2.549 7.058 -11.380 1.00 1.00 H new ATOM 0 HG21 VAL A 93 -2.929 5.731 -14.056 1.00 1.00 H new ATOM 0 HG22 VAL A 93 -3.204 7.471 -13.801 1.00 1.00 H new ATOM 0 HG23 VAL A 93 -2.117 6.923 -15.099 1.00 1.00 H new ATOM 253 N ILE A 94 0.535 8.301 -10.999 1.00 1.00 N ATOM 254 CA ILE A 94 1.571 8.291 -9.963 1.00 1.00 C ATOM 255 C ILE A 94 0.998 7.675 -8.684 1.00 1.00 C ATOM 256 O ILE A 94 -0.215 7.549 -8.526 1.00 1.00 O ATOM 257 CB ILE A 94 2.101 9.709 -9.613 1.00 1.00 C ATOM 258 CG1 ILE A 94 1.515 10.874 -10.438 1.00 1.00 C ATOM 259 CG2 ILE A 94 3.638 9.731 -9.666 1.00 1.00 C ATOM 260 CD1 ILE A 94 1.920 12.237 -9.875 1.00 1.00 C ATOM 0 H ILE A 94 -0.388 8.482 -10.605 1.00 1.00 H new ATOM 0 HA ILE A 94 2.403 7.710 -10.360 1.00 1.00 H new ATOM 0 HB ILE A 94 1.746 9.892 -8.599 1.00 1.00 H new ATOM 0 HG12 ILE A 94 1.854 10.793 -11.471 1.00 1.00 H new ATOM 0 HG13 ILE A 94 0.428 10.797 -10.453 1.00 1.00 H new ATOM 0 HG21 ILE A 94 3.996 10.730 -9.419 1.00 1.00 H new ATOM 0 HG22 ILE A 94 4.037 9.014 -8.948 1.00 1.00 H new ATOM 0 HG23 ILE A 94 3.971 9.464 -10.669 1.00 1.00 H new ATOM 0 HD11 ILE A 94 1.485 13.027 -10.487 1.00 1.00 H new ATOM 0 HD12 ILE A 94 1.558 12.330 -8.851 1.00 1.00 H new ATOM 0 HD13 ILE A 94 3.006 12.327 -9.885 1.00 1.00 H new ATOM 272 N GLU A 95 1.887 7.389 -7.741 1.00 1.00 N ATOM 273 CA GLU A 95 1.640 6.920 -6.375 1.00 1.00 C ATOM 274 C GLU A 95 2.738 7.465 -5.454 1.00 1.00 C ATOM 275 O GLU A 95 3.923 7.211 -5.685 1.00 1.00 O ATOM 276 CB GLU A 95 1.705 5.388 -6.339 1.00 1.00 C ATOM 277 CG GLU A 95 0.398 4.734 -6.777 1.00 1.00 C ATOM 278 CD GLU A 95 0.538 3.201 -6.890 1.00 1.00 C ATOM 279 OE1 GLU A 95 0.836 2.530 -5.874 1.00 1.00 O ATOM 280 OE2 GLU A 95 0.356 2.658 -8.008 1.00 1.00 O ATOM 0 H GLU A 95 2.886 7.486 -7.924 1.00 1.00 H new ATOM 0 HA GLU A 95 0.658 7.262 -6.049 1.00 1.00 H new ATOM 0 HB2 GLU A 95 2.512 5.047 -6.987 1.00 1.00 H new ATOM 0 HB3 GLU A 95 1.949 5.062 -5.328 1.00 1.00 H new ATOM 0 HG2 GLU A 95 -0.388 4.976 -6.062 1.00 1.00 H new ATOM 0 HG3 GLU A 95 0.090 5.143 -7.739 1.00 1.00 H new ATOM 287 N THR A 96 2.354 8.220 -4.424 1.00 1.00 N ATOM 288 CA THR A 96 3.291 8.844 -3.470 1.00 1.00 C ATOM 289 C THR A 96 2.653 8.889 -2.074 1.00 1.00 C ATOM 290 O THR A 96 1.428 8.868 -1.948 1.00 1.00 O ATOM 291 CB THR A 96 3.756 10.258 -3.919 1.00 1.00 C ATOM 292 OG1 THR A 96 3.057 11.273 -3.229 1.00 1.00 O ATOM 293 CG2 THR A 96 3.573 10.570 -5.415 1.00 1.00 C ATOM 0 H THR A 96 1.375 8.422 -4.221 1.00 1.00 H new ATOM 0 HA THR A 96 4.189 8.227 -3.439 1.00 1.00 H new ATOM 0 HB THR A 96 4.822 10.244 -3.692 1.00 1.00 H new ATOM 0 HG1 THR A 96 3.372 12.150 -3.531 1.00 1.00 H new ATOM 0 HG21 THR A 96 3.928 11.579 -5.622 1.00 1.00 H new ATOM 0 HG22 THR A 96 4.144 9.856 -6.008 1.00 1.00 H new ATOM 0 HG23 THR A 96 2.517 10.496 -5.676 1.00 1.00 H new ATOM 301 N LYS A 97 3.459 8.942 -1.011 1.00 1.00 N ATOM 302 CA LYS A 97 2.991 9.130 0.379 1.00 1.00 C ATOM 303 C LYS A 97 3.080 10.608 0.819 1.00 1.00 C ATOM 304 O LYS A 97 2.875 10.922 1.994 1.00 1.00 O ATOM 305 CB LYS A 97 3.804 8.231 1.324 1.00 1.00 C ATOM 306 CG LYS A 97 3.880 6.748 0.913 1.00 1.00 C ATOM 307 CD LYS A 97 4.955 5.990 1.712 1.00 1.00 C ATOM 308 CE LYS A 97 5.322 4.633 1.092 1.00 1.00 C ATOM 309 NZ LYS A 97 6.085 4.784 -0.184 1.00 1.00 N ATOM 0 H LYS A 97 4.473 8.855 -1.085 1.00 1.00 H new ATOM 0 HA LYS A 97 1.940 8.845 0.426 1.00 1.00 H new ATOM 0 HB2 LYS A 97 4.818 8.625 1.392 1.00 1.00 H new ATOM 0 HB3 LYS A 97 3.370 8.293 2.322 1.00 1.00 H new ATOM 0 HG2 LYS A 97 2.910 6.277 1.070 1.00 1.00 H new ATOM 0 HG3 LYS A 97 4.100 6.676 -0.152 1.00 1.00 H new ATOM 0 HD2 LYS A 97 5.851 6.606 1.779 1.00 1.00 H new ATOM 0 HD3 LYS A 97 4.599 5.833 2.730 1.00 1.00 H new ATOM 0 HE2 LYS A 97 5.916 4.059 1.803 1.00 1.00 H new ATOM 0 HE3 LYS A 97 4.412 4.063 0.904 1.00 1.00 H new ATOM 0 HZ1 LYS A 97 6.527 3.876 -0.433 1.00 1.00 H new ATOM 0 HZ2 LYS A 97 5.437 5.074 -0.944 1.00 1.00 H new ATOM 0 HZ3 LYS A 97 6.823 5.507 -0.064 1.00 1.00 H new ATOM 323 N GLY A 98 3.428 11.492 -0.120 1.00 1.00 N ATOM 324 CA GLY A 98 3.671 12.919 0.068 1.00 1.00 C ATOM 325 C GLY A 98 4.966 13.411 -0.582 1.00 1.00 C ATOM 326 O GLY A 98 5.575 12.727 -1.409 1.00 1.00 O ATOM 0 H GLY A 98 3.555 11.209 -1.092 1.00 1.00 H new ATOM 0 HA2 GLY A 98 2.832 13.479 -0.344 1.00 1.00 H new ATOM 0 HA3 GLY A 98 3.705 13.136 1.136 1.00 1.00 H new ATOM 330 N GLY A 99 5.377 14.611 -0.177 1.00 1.00 N ATOM 331 CA GLY A 99 6.673 15.205 -0.485 1.00 1.00 C ATOM 332 C GLY A 99 6.875 15.740 -1.911 1.00 1.00 C ATOM 333 O GLY A 99 6.086 15.528 -2.835 1.00 1.00 O ATOM 0 H GLY A 99 4.792 15.219 0.397 1.00 1.00 H new ATOM 0 HA2 GLY A 99 6.843 16.026 0.212 1.00 1.00 H new ATOM 0 HA3 GLY A 99 7.443 14.458 -0.292 1.00 1.00 H new ATOM 337 N ASN A 100 7.999 16.440 -2.071 1.00 1.00 N ATOM 338 CA ASN A 100 8.591 16.894 -3.325 1.00 1.00 C ATOM 339 C ASN A 100 8.856 15.667 -4.231 1.00 1.00 C ATOM 340 O ASN A 100 9.806 14.911 -4.018 1.00 1.00 O ATOM 341 CB ASN A 100 9.849 17.704 -2.937 1.00 1.00 C ATOM 342 CG ASN A 100 10.929 17.881 -3.994 1.00 1.00 C ATOM 343 OD1 ASN A 100 10.736 17.691 -5.188 1.00 1.00 O ATOM 344 ND2 ASN A 100 12.103 18.273 -3.549 1.00 1.00 N ATOM 0 H ASN A 100 8.559 16.724 -1.267 1.00 1.00 H new ATOM 0 HA ASN A 100 7.942 17.543 -3.913 1.00 1.00 H new ATOM 0 HB2 ASN A 100 9.525 18.695 -2.619 1.00 1.00 H new ATOM 0 HB3 ASN A 100 10.303 17.224 -2.070 1.00 1.00 H new ATOM 0 HD21 ASN A 100 12.872 18.424 -4.202 1.00 1.00 H new ATOM 0 HD22 ASN A 100 12.245 18.426 -2.551 1.00 1.00 H new ATOM 351 N HIS A 101 7.970 15.448 -5.216 1.00 1.00 N ATOM 352 CA HIS A 101 8.039 14.361 -6.210 1.00 1.00 C ATOM 353 C HIS A 101 7.854 14.941 -7.622 1.00 1.00 C ATOM 354 O HIS A 101 6.854 15.613 -7.869 1.00 1.00 O ATOM 355 CB HIS A 101 7.005 13.283 -5.838 1.00 1.00 C ATOM 356 CG HIS A 101 7.198 11.992 -6.598 1.00 1.00 C ATOM 357 ND1 HIS A 101 8.172 11.030 -6.357 1.00 1.00 N ATOM 358 CD2 HIS A 101 6.459 11.575 -7.672 1.00 1.00 C ATOM 359 CE1 HIS A 101 8.020 10.052 -7.270 1.00 1.00 C ATOM 360 NE2 HIS A 101 6.988 10.360 -8.082 1.00 1.00 N ATOM 0 H HIS A 101 7.154 16.046 -5.348 1.00 1.00 H new ATOM 0 HA HIS A 101 9.016 13.879 -6.207 1.00 1.00 H new ATOM 0 HB2 HIS A 101 7.067 13.081 -4.769 1.00 1.00 H new ATOM 0 HB3 HIS A 101 6.003 13.666 -6.032 1.00 1.00 H new ATOM 0 HD1 HIS A 101 8.876 11.060 -5.620 1.00 1.00 H new ATOM 0 HD2 HIS A 101 5.622 12.094 -8.116 1.00 1.00 H new ATOM 0 HE1 HIS A 101 8.628 9.162 -7.341 1.00 1.00 H new ATOM 369 N LYS A 102 8.780 14.667 -8.554 1.00 1.00 N ATOM 370 CA LYS A 102 8.875 15.326 -9.881 1.00 1.00 C ATOM 371 C LYS A 102 7.555 15.494 -10.647 1.00 1.00 C ATOM 372 O LYS A 102 7.079 16.615 -10.764 1.00 1.00 O ATOM 373 CB LYS A 102 9.981 14.662 -10.708 1.00 1.00 C ATOM 374 CG LYS A 102 10.383 15.609 -11.853 1.00 1.00 C ATOM 375 CD LYS A 102 11.584 15.097 -12.642 1.00 1.00 C ATOM 376 CE LYS A 102 12.868 15.074 -11.802 1.00 1.00 C ATOM 377 NZ LYS A 102 14.048 14.640 -12.595 1.00 1.00 N ATOM 0 H LYS A 102 9.505 13.964 -8.409 1.00 1.00 H new ATOM 0 HA LYS A 102 9.148 16.363 -9.685 1.00 1.00 H new ATOM 0 HB2 LYS A 102 10.844 14.444 -10.078 1.00 1.00 H new ATOM 0 HB3 LYS A 102 9.632 13.711 -11.110 1.00 1.00 H new ATOM 0 HG2 LYS A 102 9.537 15.737 -12.528 1.00 1.00 H new ATOM 0 HG3 LYS A 102 10.615 16.592 -11.443 1.00 1.00 H new ATOM 0 HD2 LYS A 102 11.374 14.092 -13.007 1.00 1.00 H new ATOM 0 HD3 LYS A 102 11.737 15.729 -13.517 1.00 1.00 H new ATOM 0 HE2 LYS A 102 13.052 16.068 -11.394 1.00 1.00 H new ATOM 0 HE3 LYS A 102 12.734 14.402 -10.955 1.00 1.00 H new ATOM 0 HZ1 LYS A 102 14.883 14.590 -11.977 1.00 1.00 H new ATOM 0 HZ2 LYS A 102 13.865 13.702 -13.005 1.00 1.00 H new ATOM 0 HZ3 LYS A 102 14.224 15.324 -13.359 1.00 1.00 H new ATOM 391 N THR A 103 6.919 14.407 -11.098 1.00 1.00 N ATOM 392 CA THR A 103 5.696 14.491 -11.934 1.00 1.00 C ATOM 393 C THR A 103 4.552 15.215 -11.216 1.00 1.00 C ATOM 394 O THR A 103 3.886 16.072 -11.798 1.00 1.00 O ATOM 395 CB THR A 103 5.234 13.101 -12.397 1.00 1.00 C ATOM 396 OG1 THR A 103 6.316 12.431 -13.017 1.00 1.00 O ATOM 397 CG2 THR A 103 4.086 13.213 -13.398 1.00 1.00 C ATOM 0 H THR A 103 7.224 13.454 -10.903 1.00 1.00 H new ATOM 0 HA THR A 103 5.964 15.079 -12.812 1.00 1.00 H new ATOM 0 HB THR A 103 4.889 12.545 -11.525 1.00 1.00 H new ATOM 0 HG1 THR A 103 6.025 11.543 -13.312 1.00 1.00 H new ATOM 0 HG21 THR A 103 3.777 12.215 -13.710 1.00 1.00 H new ATOM 0 HG22 THR A 103 3.244 13.724 -12.931 1.00 1.00 H new ATOM 0 HG23 THR A 103 4.416 13.780 -14.268 1.00 1.00 H new ATOM 405 N LEU A 104 4.387 14.932 -9.918 1.00 1.00 N ATOM 406 CA LEU A 104 3.386 15.568 -9.056 1.00 1.00 C ATOM 407 C LEU A 104 3.582 17.097 -8.990 1.00 1.00 C ATOM 408 O LEU A 104 2.610 17.850 -9.063 1.00 1.00 O ATOM 409 CB LEU A 104 3.466 14.884 -7.673 1.00 1.00 C ATOM 410 CG LEU A 104 2.402 15.299 -6.643 1.00 1.00 C ATOM 411 CD1 LEU A 104 0.988 14.999 -7.133 1.00 1.00 C ATOM 412 CD2 LEU A 104 2.622 14.522 -5.346 1.00 1.00 C ATOM 0 H LEU A 104 4.957 14.241 -9.429 1.00 1.00 H new ATOM 0 HA LEU A 104 2.384 15.435 -9.463 1.00 1.00 H new ATOM 0 HB2 LEU A 104 3.397 13.806 -7.820 1.00 1.00 H new ATOM 0 HB3 LEU A 104 4.450 15.085 -7.248 1.00 1.00 H new ATOM 0 HG LEU A 104 2.502 16.373 -6.487 1.00 1.00 H new ATOM 0 HD11 LEU A 104 0.267 15.307 -6.376 1.00 1.00 H new ATOM 0 HD12 LEU A 104 0.800 15.545 -8.057 1.00 1.00 H new ATOM 0 HD13 LEU A 104 0.886 13.929 -7.317 1.00 1.00 H new ATOM 0 HD21 LEU A 104 1.869 14.815 -4.614 1.00 1.00 H new ATOM 0 HD22 LEU A 104 2.540 13.453 -5.544 1.00 1.00 H new ATOM 0 HD23 LEU A 104 3.614 14.743 -4.953 1.00 1.00 H new ATOM 424 N LYS A 105 4.837 17.570 -8.942 1.00 1.00 N ATOM 425 CA LYS A 105 5.174 19.004 -8.989 1.00 1.00 C ATOM 426 C LYS A 105 4.885 19.645 -10.346 1.00 1.00 C ATOM 427 O LYS A 105 4.478 20.803 -10.381 1.00 1.00 O ATOM 428 CB LYS A 105 6.646 19.227 -8.585 1.00 1.00 C ATOM 429 CG LYS A 105 6.925 19.063 -7.077 1.00 1.00 C ATOM 430 CD LYS A 105 6.240 20.089 -6.155 1.00 1.00 C ATOM 431 CE LYS A 105 6.480 21.546 -6.593 1.00 1.00 C ATOM 432 NZ LYS A 105 5.922 22.519 -5.611 1.00 1.00 N ATOM 0 H LYS A 105 5.654 16.964 -8.869 1.00 1.00 H new ATOM 0 HA LYS A 105 4.524 19.500 -8.269 1.00 1.00 H new ATOM 0 HB2 LYS A 105 7.272 18.525 -9.136 1.00 1.00 H new ATOM 0 HB3 LYS A 105 6.946 20.229 -8.891 1.00 1.00 H new ATOM 0 HG2 LYS A 105 6.611 18.064 -6.775 1.00 1.00 H new ATOM 0 HG3 LYS A 105 8.002 19.121 -6.917 1.00 1.00 H new ATOM 0 HD2 LYS A 105 5.168 19.893 -6.136 1.00 1.00 H new ATOM 0 HD3 LYS A 105 6.607 19.956 -5.137 1.00 1.00 H new ATOM 0 HE2 LYS A 105 7.550 21.719 -6.708 1.00 1.00 H new ATOM 0 HE3 LYS A 105 6.023 21.712 -7.569 1.00 1.00 H new ATOM 0 HZ1 LYS A 105 5.793 23.442 -6.072 1.00 1.00 H new ATOM 0 HZ2 LYS A 105 5.005 22.174 -5.263 1.00 1.00 H new ATOM 0 HZ3 LYS A 105 6.579 22.621 -4.811 1.00 1.00 H new ATOM 446 N GLU A 106 5.017 18.920 -11.459 1.00 1.00 N ATOM 447 CA GLU A 106 4.689 19.465 -12.783 1.00 1.00 C ATOM 448 C GLU A 106 3.193 19.675 -12.923 1.00 1.00 C ATOM 449 O GLU A 106 2.741 20.710 -13.397 1.00 1.00 O ATOM 450 CB GLU A 106 5.129 18.552 -13.930 1.00 1.00 C ATOM 451 CG GLU A 106 6.555 18.060 -13.770 1.00 1.00 C ATOM 452 CD GLU A 106 7.098 17.466 -15.084 1.00 1.00 C ATOM 453 OE1 GLU A 106 7.636 18.235 -15.920 1.00 1.00 O ATOM 454 OE2 GLU A 106 7.005 16.230 -15.289 1.00 1.00 O ATOM 0 H GLU A 106 5.348 17.955 -11.472 1.00 1.00 H new ATOM 0 HA GLU A 106 5.230 20.409 -12.851 1.00 1.00 H new ATOM 0 HB2 GLU A 106 4.457 17.695 -13.986 1.00 1.00 H new ATOM 0 HB3 GLU A 106 5.038 19.090 -14.873 1.00 1.00 H new ATOM 0 HG2 GLU A 106 7.192 18.885 -13.452 1.00 1.00 H new ATOM 0 HG3 GLU A 106 6.595 17.305 -12.985 1.00 1.00 H new ATOM 461 N TRP A 107 2.414 18.707 -12.454 1.00 1.00 N ATOM 462 CA TRP A 107 0.951 18.813 -12.475 1.00 1.00 C ATOM 463 C TRP A 107 0.432 20.009 -11.661 1.00 1.00 C ATOM 464 O TRP A 107 -0.502 20.695 -12.085 1.00 1.00 O ATOM 465 CB TRP A 107 0.304 17.517 -11.988 1.00 1.00 C ATOM 466 CG TRP A 107 0.536 16.253 -12.762 1.00 1.00 C ATOM 467 CD1 TRP A 107 1.339 16.063 -13.839 1.00 1.00 C ATOM 468 CD2 TRP A 107 -0.069 14.954 -12.494 1.00 1.00 C ATOM 469 NE1 TRP A 107 1.277 14.739 -14.231 1.00 1.00 N ATOM 470 CE2 TRP A 107 0.502 13.999 -13.378 1.00 1.00 C ATOM 471 CE3 TRP A 107 -1.046 14.487 -11.588 1.00 1.00 C ATOM 472 CZ2 TRP A 107 0.203 12.636 -13.303 1.00 1.00 C ATOM 473 CZ3 TRP A 107 -1.438 13.135 -11.589 1.00 1.00 C ATOM 474 CH2 TRP A 107 -0.794 12.204 -12.421 1.00 1.00 C ATOM 0 H TRP A 107 2.767 17.838 -12.053 1.00 1.00 H new ATOM 0 HA TRP A 107 0.667 18.984 -13.513 1.00 1.00 H new ATOM 0 HB2 TRP A 107 0.642 17.344 -10.966 1.00 1.00 H new ATOM 0 HB3 TRP A 107 -0.772 17.683 -11.944 1.00 1.00 H new ATOM 0 HD1 TRP A 107 1.934 16.828 -14.316 1.00 1.00 H new ATOM 0 HE1 TRP A 107 1.749 14.361 -15.052 1.00 1.00 H new ATOM 0 HE3 TRP A 107 -1.497 15.174 -10.887 1.00 1.00 H new ATOM 0 HZ2 TRP A 107 0.735 11.925 -13.918 1.00 1.00 H new ATOM 0 HZ3 TRP A 107 -2.241 12.810 -10.944 1.00 1.00 H new ATOM 0 HH2 TRP A 107 -1.067 11.160 -12.380 1.00 1.00 H new ATOM 485 N LYS A 108 1.071 20.322 -10.524 1.00 1.00 N ATOM 486 CA LYS A 108 0.761 21.541 -9.754 1.00 1.00 C ATOM 487 C LYS A 108 1.106 22.823 -10.520 1.00 1.00 C ATOM 488 O LYS A 108 0.374 23.803 -10.421 1.00 1.00 O ATOM 489 CB LYS A 108 1.516 21.558 -8.421 1.00 1.00 C ATOM 490 CG LYS A 108 0.982 20.487 -7.471 1.00 1.00 C ATOM 491 CD LYS A 108 1.649 20.654 -6.110 1.00 1.00 C ATOM 492 CE LYS A 108 1.234 19.495 -5.206 1.00 1.00 C ATOM 493 NZ LYS A 108 1.741 19.705 -3.832 1.00 1.00 N ATOM 0 H LYS A 108 1.808 19.748 -10.115 1.00 1.00 H new ATOM 0 HA LYS A 108 -0.314 21.517 -9.578 1.00 1.00 H new ATOM 0 HB2 LYS A 108 2.579 21.393 -8.600 1.00 1.00 H new ATOM 0 HB3 LYS A 108 1.420 22.540 -7.958 1.00 1.00 H new ATOM 0 HG2 LYS A 108 -0.100 20.576 -7.373 1.00 1.00 H new ATOM 0 HG3 LYS A 108 1.186 19.494 -7.871 1.00 1.00 H new ATOM 0 HD2 LYS A 108 2.733 20.674 -6.222 1.00 1.00 H new ATOM 0 HD3 LYS A 108 1.357 21.604 -5.662 1.00 1.00 H new ATOM 0 HE2 LYS A 108 0.148 19.409 -5.190 1.00 1.00 H new ATOM 0 HE3 LYS A 108 1.622 18.558 -5.604 1.00 1.00 H new ATOM 0 HZ1 LYS A 108 2.014 18.790 -3.419 1.00 1.00 H new ATOM 0 HZ2 LYS A 108 2.569 20.333 -3.860 1.00 1.00 H new ATOM 0 HZ3 LYS A 108 0.997 20.139 -3.250 1.00 1.00 H new ATOM 507 N ALA A 109 2.197 22.818 -11.290 1.00 1.00 N ATOM 508 CA ALA A 109 2.587 23.949 -12.123 1.00 1.00 C ATOM 509 C ALA A 109 1.570 24.181 -13.252 1.00 1.00 C ATOM 510 O ALA A 109 1.111 25.300 -13.495 1.00 1.00 O ATOM 511 CB ALA A 109 3.969 23.666 -12.729 1.00 1.00 C ATOM 0 H ALA A 109 2.835 22.024 -11.351 1.00 1.00 H new ATOM 0 HA ALA A 109 2.619 24.846 -11.505 1.00 1.00 H new ATOM 0 HB1 ALA A 109 4.271 24.506 -13.355 1.00 1.00 H new ATOM 0 HB2 ALA A 109 4.696 23.530 -11.929 1.00 1.00 H new ATOM 0 HB3 ALA A 109 3.922 22.761 -13.335 1.00 1.00 H new ATOM 517 N LYS A 110 1.232 23.080 -13.938 1.00 1.00 N ATOM 518 CA LYS A 110 0.467 23.061 -15.170 1.00 1.00 C ATOM 519 C LYS A 110 -1.043 23.290 -14.989 1.00 1.00 C ATOM 520 O LYS A 110 -1.655 23.922 -15.851 1.00 1.00 O ATOM 521 CB LYS A 110 0.748 21.741 -15.903 1.00 1.00 C ATOM 522 CG LYS A 110 2.140 21.735 -16.564 1.00 1.00 C ATOM 523 CD LYS A 110 2.448 20.425 -17.310 1.00 1.00 C ATOM 524 CE LYS A 110 1.672 20.292 -18.632 1.00 1.00 C ATOM 525 NZ LYS A 110 2.237 21.142 -19.722 1.00 1.00 N ATOM 0 H LYS A 110 1.500 22.146 -13.628 1.00 1.00 H new ATOM 0 HA LYS A 110 0.798 23.911 -15.767 1.00 1.00 H new ATOM 0 HB2 LYS A 110 0.677 20.912 -15.198 1.00 1.00 H new ATOM 0 HB3 LYS A 110 -0.016 21.579 -16.664 1.00 1.00 H new ATOM 0 HG2 LYS A 110 2.207 22.569 -17.263 1.00 1.00 H new ATOM 0 HG3 LYS A 110 2.900 21.898 -15.799 1.00 1.00 H new ATOM 0 HD2 LYS A 110 3.517 20.373 -17.515 1.00 1.00 H new ATOM 0 HD3 LYS A 110 2.205 19.580 -16.666 1.00 1.00 H new ATOM 0 HE2 LYS A 110 1.680 19.249 -18.949 1.00 1.00 H new ATOM 0 HE3 LYS A 110 0.630 20.567 -18.466 1.00 1.00 H new ATOM 0 HZ1 LYS A 110 1.676 21.013 -20.588 1.00 1.00 H new ATOM 0 HZ2 LYS A 110 2.206 22.141 -19.435 1.00 1.00 H new ATOM 0 HZ3 LYS A 110 3.223 20.864 -19.903 1.00 1.00 H new ATOM 539 N TRP A 111 -1.623 22.820 -13.874 1.00 1.00 N ATOM 540 CA TRP A 111 -3.076 22.895 -13.607 1.00 1.00 C ATOM 541 C TRP A 111 -3.426 23.393 -12.193 1.00 1.00 C ATOM 542 O TRP A 111 -4.230 24.319 -12.071 1.00 1.00 O ATOM 543 CB TRP A 111 -3.731 21.531 -13.895 1.00 1.00 C ATOM 544 CG TRP A 111 -3.543 21.025 -15.296 1.00 1.00 C ATOM 545 CD1 TRP A 111 -4.243 21.421 -16.385 1.00 1.00 C ATOM 546 CD2 TRP A 111 -2.550 20.078 -15.795 1.00 1.00 C ATOM 547 NE1 TRP A 111 -3.747 20.795 -17.513 1.00 1.00 N ATOM 548 CE2 TRP A 111 -2.684 19.969 -17.210 1.00 1.00 C ATOM 549 CE3 TRP A 111 -1.519 19.333 -15.190 1.00 1.00 C ATOM 550 CZ2 TRP A 111 -1.840 19.156 -17.984 1.00 1.00 C ATOM 551 CZ3 TRP A 111 -0.636 18.552 -15.961 1.00 1.00 C ATOM 552 CH2 TRP A 111 -0.807 18.443 -17.352 1.00 1.00 C ATOM 0 H TRP A 111 -1.096 22.373 -13.124 1.00 1.00 H new ATOM 0 HA TRP A 111 -3.481 23.648 -14.284 1.00 1.00 H new ATOM 0 HB2 TRP A 111 -3.325 20.795 -13.201 1.00 1.00 H new ATOM 0 HB3 TRP A 111 -4.799 21.607 -13.691 1.00 1.00 H new ATOM 0 HD1 TRP A 111 -5.065 22.121 -16.374 1.00 1.00 H new ATOM 0 HE1 TRP A 111 -4.120 20.927 -18.453 1.00 1.00 H new ATOM 0 HE3 TRP A 111 -1.404 19.361 -14.117 1.00 1.00 H new ATOM 0 HZ2 TRP A 111 -1.983 19.080 -19.052 1.00 1.00 H new ATOM 0 HZ3 TRP A 111 0.179 18.033 -15.479 1.00 1.00 H new ATOM 0 HH2 TRP A 111 -0.148 17.814 -17.932 1.00 1.00 H new ATOM 563 N GLY A 112 -2.811 22.840 -11.137 1.00 1.00 N ATOM 564 CA GLY A 112 -2.903 23.380 -9.765 1.00 1.00 C ATOM 565 C GLY A 112 -3.004 22.323 -8.656 1.00 1.00 C ATOM 566 O GLY A 112 -3.531 21.238 -8.894 1.00 1.00 O ATOM 0 H GLY A 112 -2.233 22.003 -11.207 1.00 1.00 H new ATOM 0 HA2 GLY A 112 -2.027 24.001 -9.576 1.00 1.00 H new ATOM 0 HA3 GLY A 112 -3.775 24.032 -9.705 1.00 1.00 H new ATOM 570 N PRO A 113 -2.564 22.619 -7.416 1.00 1.00 N ATOM 571 CA PRO A 113 -2.610 21.664 -6.299 1.00 1.00 C ATOM 572 C PRO A 113 -4.027 21.221 -5.901 1.00 1.00 C ATOM 573 O PRO A 113 -4.221 20.064 -5.534 1.00 1.00 O ATOM 574 CB PRO A 113 -1.878 22.342 -5.136 1.00 1.00 C ATOM 575 CG PRO A 113 -1.907 23.828 -5.481 1.00 1.00 C ATOM 576 CD PRO A 113 -1.923 23.861 -7.005 1.00 1.00 C ATOM 0 HA PRO A 113 -2.131 20.732 -6.598 1.00 1.00 H new ATOM 0 HB2 PRO A 113 -2.375 22.145 -4.186 1.00 1.00 H new ATOM 0 HB3 PRO A 113 -0.856 21.976 -5.043 1.00 1.00 H new ATOM 0 HG2 PRO A 113 -2.788 24.316 -5.063 1.00 1.00 H new ATOM 0 HG3 PRO A 113 -1.035 24.346 -5.081 1.00 1.00 H new ATOM 0 HD2 PRO A 113 -2.474 24.727 -7.373 1.00 1.00 H new ATOM 0 HD3 PRO A 113 -0.912 23.932 -7.406 1.00 1.00 H new ATOM 584 N GLU A 114 -5.023 22.103 -6.032 1.00 1.00 N ATOM 585 CA GLU A 114 -6.433 21.794 -5.749 1.00 1.00 C ATOM 586 C GLU A 114 -6.952 20.692 -6.672 1.00 1.00 C ATOM 587 O GLU A 114 -7.569 19.717 -6.239 1.00 1.00 O ATOM 588 CB GLU A 114 -7.299 23.039 -5.971 1.00 1.00 C ATOM 589 CG GLU A 114 -6.732 24.310 -5.338 1.00 1.00 C ATOM 590 CD GLU A 114 -7.757 25.461 -5.382 1.00 1.00 C ATOM 591 OE1 GLU A 114 -7.809 26.199 -6.397 1.00 1.00 O ATOM 592 OE2 GLU A 114 -8.518 25.644 -4.398 1.00 1.00 O ATOM 0 H GLU A 114 -4.874 23.064 -6.341 1.00 1.00 H new ATOM 0 HA GLU A 114 -6.492 21.462 -4.712 1.00 1.00 H new ATOM 0 HB2 GLU A 114 -7.418 23.200 -7.042 1.00 1.00 H new ATOM 0 HB3 GLU A 114 -8.293 22.855 -5.564 1.00 1.00 H new ATOM 0 HG2 GLU A 114 -6.450 24.110 -4.304 1.00 1.00 H new ATOM 0 HG3 GLU A 114 -5.825 24.607 -5.864 1.00 1.00 H new ATOM 599 N ALA A 115 -6.643 20.861 -7.955 1.00 1.00 N ATOM 600 CA ALA A 115 -6.955 19.920 -9.019 1.00 1.00 C ATOM 601 C ALA A 115 -6.295 18.569 -8.728 1.00 1.00 C ATOM 602 O ALA A 115 -6.953 17.538 -8.635 1.00 1.00 O ATOM 603 CB ALA A 115 -6.437 20.492 -10.347 1.00 1.00 C ATOM 0 H ALA A 115 -6.150 21.689 -8.291 1.00 1.00 H new ATOM 0 HA ALA A 115 -8.033 19.769 -9.082 1.00 1.00 H new ATOM 0 HB1 ALA A 115 -6.664 19.797 -11.156 1.00 1.00 H new ATOM 0 HB2 ALA A 115 -6.921 21.449 -10.544 1.00 1.00 H new ATOM 0 HB3 ALA A 115 -5.358 20.637 -10.285 1.00 1.00 H new ATOM 609 N VAL A 116 -4.983 18.629 -8.507 1.00 1.00 N ATOM 610 CA VAL A 116 -4.112 17.488 -8.304 1.00 1.00 C ATOM 611 C VAL A 116 -4.560 16.625 -7.120 1.00 1.00 C ATOM 612 O VAL A 116 -4.704 15.412 -7.263 1.00 1.00 O ATOM 613 CB VAL A 116 -2.674 18.007 -8.163 1.00 1.00 C ATOM 614 CG1 VAL A 116 -1.675 16.997 -7.598 1.00 1.00 C ATOM 615 CG2 VAL A 116 -2.184 18.457 -9.544 1.00 1.00 C ATOM 0 H VAL A 116 -4.482 19.517 -8.464 1.00 1.00 H new ATOM 0 HA VAL A 116 -4.164 16.821 -9.164 1.00 1.00 H new ATOM 0 HB VAL A 116 -2.716 18.823 -7.442 1.00 1.00 H new ATOM 0 HG11 VAL A 116 -0.688 17.456 -7.537 1.00 1.00 H new ATOM 0 HG12 VAL A 116 -1.994 16.688 -6.603 1.00 1.00 H new ATOM 0 HG13 VAL A 116 -1.629 16.126 -8.251 1.00 1.00 H new ATOM 0 HG21 VAL A 116 -1.163 18.829 -9.464 1.00 1.00 H new ATOM 0 HG22 VAL A 116 -2.209 17.612 -10.232 1.00 1.00 H new ATOM 0 HG23 VAL A 116 -2.831 19.250 -9.919 1.00 1.00 H new ATOM 625 N GLU A 117 -4.873 17.244 -5.979 1.00 1.00 N ATOM 626 CA GLU A 117 -5.440 16.552 -4.814 1.00 1.00 C ATOM 627 C GLU A 117 -6.838 15.978 -5.097 1.00 1.00 C ATOM 628 O GLU A 117 -7.156 14.877 -4.643 1.00 1.00 O ATOM 629 CB GLU A 117 -5.575 17.555 -3.650 1.00 1.00 C ATOM 630 CG GLU A 117 -4.265 17.858 -2.921 1.00 1.00 C ATOM 631 CD GLU A 117 -4.003 16.780 -1.847 1.00 1.00 C ATOM 632 OE1 GLU A 117 -3.681 15.627 -2.209 1.00 1.00 O ATOM 633 OE2 GLU A 117 -4.212 17.039 -0.635 1.00 1.00 O ATOM 0 H GLU A 117 -4.740 18.245 -5.834 1.00 1.00 H new ATOM 0 HA GLU A 117 -4.768 15.729 -4.569 1.00 1.00 H new ATOM 0 HB2 GLU A 117 -5.986 18.488 -4.036 1.00 1.00 H new ATOM 0 HB3 GLU A 117 -6.295 17.164 -2.931 1.00 1.00 H new ATOM 0 HG2 GLU A 117 -3.440 17.884 -3.633 1.00 1.00 H new ATOM 0 HG3 GLU A 117 -4.316 18.843 -2.456 1.00 1.00 H new ATOM 640 N SER A 118 -7.669 16.694 -5.864 1.00 1.00 N ATOM 641 CA SER A 118 -9.031 16.251 -6.208 1.00 1.00 C ATOM 642 C SER A 118 -9.031 15.005 -7.101 1.00 1.00 C ATOM 643 O SER A 118 -9.939 14.176 -7.007 1.00 1.00 O ATOM 644 CB SER A 118 -9.839 17.359 -6.893 1.00 1.00 C ATOM 645 OG SER A 118 -9.970 18.491 -6.048 1.00 1.00 O ATOM 0 H SER A 118 -7.419 17.598 -6.265 1.00 1.00 H new ATOM 0 HA SER A 118 -9.505 16.000 -5.259 1.00 1.00 H new ATOM 0 HB2 SER A 118 -9.349 17.650 -7.822 1.00 1.00 H new ATOM 0 HB3 SER A 118 -10.827 16.982 -7.158 1.00 1.00 H new ATOM 0 HG SER A 118 -9.185 19.069 -6.151 1.00 1.00 H new ATOM 651 N TRP A 119 -7.998 14.838 -7.932 1.00 1.00 N ATOM 652 CA TRP A 119 -7.778 13.644 -8.748 1.00 1.00 C ATOM 653 C TRP A 119 -7.266 12.425 -7.951 1.00 1.00 C ATOM 654 O TRP A 119 -7.170 11.334 -8.525 1.00 1.00 O ATOM 655 CB TRP A 119 -6.773 13.947 -9.868 1.00 1.00 C ATOM 656 CG TRP A 119 -6.977 15.155 -10.737 1.00 1.00 C ATOM 657 CD1 TRP A 119 -8.148 15.780 -10.997 1.00 1.00 C ATOM 658 CD2 TRP A 119 -5.963 15.888 -11.497 1.00 1.00 C ATOM 659 NE1 TRP A 119 -7.925 16.868 -11.820 1.00 1.00 N ATOM 660 CE2 TRP A 119 -6.594 16.983 -12.159 1.00 1.00 C ATOM 661 CE3 TRP A 119 -4.575 15.724 -11.711 1.00 1.00 C ATOM 662 CZ2 TRP A 119 -5.882 17.888 -12.962 1.00 1.00 C ATOM 663 CZ3 TRP A 119 -3.856 16.616 -12.532 1.00 1.00 C ATOM 664 CH2 TRP A 119 -4.504 17.698 -13.149 1.00 1.00 C ATOM 0 H TRP A 119 -7.275 15.547 -8.058 1.00 1.00 H new ATOM 0 HA TRP A 119 -8.756 13.382 -9.151 1.00 1.00 H new ATOM 0 HB2 TRP A 119 -5.789 14.038 -9.408 1.00 1.00 H new ATOM 0 HB3 TRP A 119 -6.740 13.076 -10.522 1.00 1.00 H new ATOM 0 HD1 TRP A 119 -9.112 15.475 -10.618 1.00 1.00 H new ATOM 0 HE1 TRP A 119 -8.655 17.506 -12.137 1.00 1.00 H new ATOM 0 HE3 TRP A 119 -4.058 14.902 -11.238 1.00 1.00 H new ATOM 0 HZ2 TRP A 119 -6.388 18.720 -13.430 1.00 1.00 H new ATOM 0 HZ3 TRP A 119 -2.798 16.466 -12.688 1.00 1.00 H new ATOM 0 HH2 TRP A 119 -3.943 18.383 -13.767 1.00 1.00 H new ATOM 675 N ALA A 120 -6.872 12.573 -6.676 1.00 1.00 N ATOM 676 CA ALA A 120 -6.248 11.495 -5.927 1.00 1.00 C ATOM 677 C ALA A 120 -7.201 10.349 -5.544 1.00 1.00 C ATOM 678 O ALA A 120 -8.432 10.436 -5.571 1.00 1.00 O ATOM 679 CB ALA A 120 -5.494 12.024 -4.692 1.00 1.00 C ATOM 0 H ALA A 120 -6.980 13.439 -6.148 1.00 1.00 H new ATOM 0 HA ALA A 120 -5.527 11.056 -6.617 1.00 1.00 H new ATOM 0 HB1 ALA A 120 -5.041 11.189 -4.157 1.00 1.00 H new ATOM 0 HB2 ALA A 120 -4.715 12.717 -5.010 1.00 1.00 H new ATOM 0 HB3 ALA A 120 -6.192 12.541 -4.033 1.00 1.00 H new ATOM 685 N THR A 121 -6.547 9.284 -5.111 1.00 1.00 N ATOM 686 CA THR A 121 -7.065 7.957 -4.748 1.00 1.00 C ATOM 687 C THR A 121 -6.222 7.406 -3.612 1.00 1.00 C ATOM 688 O THR A 121 -5.002 7.422 -3.698 1.00 1.00 O ATOM 689 CB THR A 121 -6.902 7.009 -5.937 1.00 1.00 C ATOM 690 OG1 THR A 121 -7.611 7.461 -7.074 1.00 1.00 O ATOM 691 CG2 THR A 121 -7.418 5.616 -5.571 1.00 1.00 C ATOM 0 H THR A 121 -5.535 9.322 -4.989 1.00 1.00 H new ATOM 0 HA THR A 121 -8.114 8.040 -4.463 1.00 1.00 H new ATOM 0 HB THR A 121 -5.839 6.976 -6.176 1.00 1.00 H new ATOM 0 HG1 THR A 121 -7.481 6.830 -7.813 1.00 1.00 H new ATOM 0 HG21 THR A 121 -7.298 4.948 -6.424 1.00 1.00 H new ATOM 0 HG22 THR A 121 -6.851 5.229 -4.724 1.00 1.00 H new ATOM 0 HG23 THR A 121 -8.473 5.677 -5.304 1.00 1.00 H new ATOM 699 N LEU A 122 -6.836 6.873 -2.563 1.00 1.00 N ATOM 700 CA LEU A 122 -6.145 6.471 -1.334 1.00 1.00 C ATOM 701 C LEU A 122 -5.919 4.954 -1.331 1.00 1.00 C ATOM 702 O LEU A 122 -6.855 4.170 -1.497 1.00 1.00 O ATOM 703 CB LEU A 122 -6.958 6.984 -0.135 1.00 1.00 C ATOM 704 CG LEU A 122 -6.121 7.232 1.136 1.00 1.00 C ATOM 705 CD1 LEU A 122 -7.009 7.865 2.206 1.00 1.00 C ATOM 706 CD2 LEU A 122 -5.512 5.959 1.722 1.00 1.00 C ATOM 0 H LEU A 122 -7.841 6.704 -2.537 1.00 1.00 H new ATOM 0 HA LEU A 122 -5.152 6.915 -1.269 1.00 1.00 H new ATOM 0 HB2 LEU A 122 -7.454 7.913 -0.417 1.00 1.00 H new ATOM 0 HB3 LEU A 122 -7.741 6.262 0.094 1.00 1.00 H new ATOM 0 HG LEU A 122 -5.301 7.887 0.843 1.00 1.00 H new ATOM 0 HD11 LEU A 122 -6.422 8.043 3.107 1.00 1.00 H new ATOM 0 HD12 LEU A 122 -7.404 8.812 1.838 1.00 1.00 H new ATOM 0 HD13 LEU A 122 -7.835 7.193 2.438 1.00 1.00 H new ATOM 0 HD21 LEU A 122 -4.937 6.208 2.614 1.00 1.00 H new ATOM 0 HD22 LEU A 122 -6.308 5.263 1.986 1.00 1.00 H new ATOM 0 HD23 LEU A 122 -4.856 5.497 0.984 1.00 1.00 H new ATOM 718 N LEU A 123 -4.657 4.567 -1.165 1.00 1.00 N ATOM 719 CA LEU A 123 -4.136 3.212 -1.306 1.00 1.00 C ATOM 720 C LEU A 123 -3.468 2.741 -0.009 1.00 1.00 C ATOM 721 O LEU A 123 -2.554 3.373 0.520 1.00 1.00 O ATOM 722 CB LEU A 123 -3.157 3.193 -2.494 1.00 1.00 C ATOM 723 CG LEU A 123 -3.781 3.584 -3.844 1.00 1.00 C ATOM 724 CD1 LEU A 123 -2.690 3.488 -4.904 1.00 1.00 C ATOM 725 CD2 LEU A 123 -4.926 2.662 -4.263 1.00 1.00 C ATOM 0 H LEU A 123 -3.927 5.233 -0.913 1.00 1.00 H new ATOM 0 HA LEU A 123 -4.952 2.516 -1.501 1.00 1.00 H new ATOM 0 HB2 LEU A 123 -2.332 3.873 -2.279 1.00 1.00 H new ATOM 0 HB3 LEU A 123 -2.731 2.193 -2.581 1.00 1.00 H new ATOM 0 HG LEU A 123 -4.188 4.590 -3.744 1.00 1.00 H new ATOM 0 HD11 LEU A 123 -3.102 3.760 -5.876 1.00 1.00 H new ATOM 0 HD12 LEU A 123 -1.877 4.168 -4.652 1.00 1.00 H new ATOM 0 HD13 LEU A 123 -2.310 2.467 -4.944 1.00 1.00 H new ATOM 0 HD21 LEU A 123 -5.324 2.990 -5.223 1.00 1.00 H new ATOM 0 HD22 LEU A 123 -4.556 1.641 -4.353 1.00 1.00 H new ATOM 0 HD23 LEU A 123 -5.715 2.697 -3.512 1.00 1.00 H new ATOM 737 N GLY A 124 -3.944 1.602 0.496 1.00 1.00 N ATOM 738 CA GLY A 124 -3.520 1.030 1.784 1.00 1.00 C ATOM 739 C GLY A 124 -2.129 0.373 1.781 1.00 1.00 C ATOM 740 O GLY A 124 -1.532 0.203 2.848 1.00 1.00 O ATOM 0 H GLY A 124 -4.647 1.038 0.017 1.00 1.00 H new ATOM 0 HA2 GLY A 124 -3.530 1.820 2.535 1.00 1.00 H new ATOM 0 HA3 GLY A 124 -4.255 0.287 2.093 1.00 1.00 H new ATOM 744 N HIS A 125 -1.606 0.021 0.598 1.00 1.00 N ATOM 745 CA HIS A 125 -0.281 -0.592 0.388 1.00 1.00 C ATOM 746 C HIS A 125 0.287 -0.274 -1.012 1.00 1.00 C ATOM 747 O HIS A 125 -0.488 -0.308 -2.001 1.00 1.00 O ATOM 748 CB HIS A 125 -0.354 -2.113 0.648 1.00 1.00 C ATOM 749 CG HIS A 125 -1.412 -2.869 -0.126 1.00 1.00 C ATOM 750 ND1 HIS A 125 -1.797 -2.636 -1.433 1.00 1.00 N ATOM 751 CD2 HIS A 125 -2.148 -3.927 0.336 1.00 1.00 C ATOM 752 CE1 HIS A 125 -2.754 -3.526 -1.764 1.00 1.00 C ATOM 753 NE2 HIS A 125 -2.984 -4.322 -0.698 1.00 1.00 N ATOM 0 H HIS A 125 -2.113 0.160 -0.276 1.00 1.00 H new ATOM 0 HA HIS A 125 0.414 -0.155 1.105 1.00 1.00 H new ATOM 0 HB2 HIS A 125 0.618 -2.548 0.416 1.00 1.00 H new ATOM 0 HB3 HIS A 125 -0.528 -2.272 1.712 1.00 1.00 H new ATOM 0 HD1 HIS A 125 -1.420 -1.912 -2.045 1.00 1.00 H new ATOM 0 HD2 HIS A 125 -2.089 -4.370 1.319 1.00 1.00 H new ATOM 0 HE1 HIS A 125 -3.252 -3.591 -2.720 1.00 1.00 H new TER 762 HIS A 125 ATOM 763 O5' DC B 1 -3.761 28.100 5.990 1.00 1.00 O ATOM 764 C5' DC B 1 -3.980 29.228 6.845 1.00 1.00 C ATOM 765 C4' DC B 1 -3.289 29.121 8.220 1.00 1.00 C ATOM 766 O4' DC B 1 -3.877 28.096 9.012 1.00 1.00 O ATOM 767 C3' DC B 1 -1.784 28.851 8.088 1.00 1.00 C ATOM 768 O3' DC B 1 -1.044 29.756 8.912 1.00 1.00 O ATOM 769 C2' DC B 1 -1.663 27.392 8.500 1.00 1.00 C ATOM 770 C1' DC B 1 -2.873 27.176 9.410 1.00 1.00 C ATOM 771 N1 DC B 1 -3.417 25.801 9.346 1.00 1.00 N ATOM 772 C2 DC B 1 -3.687 25.085 10.517 1.00 1.00 C ATOM 773 O2 DC B 1 -3.429 25.536 11.634 1.00 1.00 O ATOM 774 N3 DC B 1 -4.260 23.858 10.461 1.00 1.00 N ATOM 775 C4 DC B 1 -4.514 23.343 9.275 1.00 1.00 C ATOM 776 N4 DC B 1 -5.091 22.175 9.283 1.00 1.00 N ATOM 777 C5 DC B 1 -4.251 24.019 8.049 1.00 1.00 C ATOM 778 C6 DC B 1 -3.708 25.252 8.133 1.00 1.00 C ATOM 0 H5' DC B 1 -5.052 29.351 6.998 1.00 1.00 H new ATOM 0 H5'' DC B 1 -3.624 30.127 6.341 1.00 1.00 H new ATOM 0 H4' DC B 1 -3.428 30.085 8.710 1.00 1.00 H new ATOM 0 H3' DC B 1 -1.374 29.012 7.091 1.00 1.00 H new ATOM 0 H2' DC B 1 -1.687 26.728 7.636 1.00 1.00 H new ATOM 0 H2'' DC B 1 -0.727 27.199 9.024 1.00 1.00 H new ATOM 0 HO5' DC B 1 -4.229 28.238 5.140 1.00 1.00 H new ATOM 0 H1' DC B 1 -2.554 27.332 10.441 1.00 1.00 H new ATOM 0 H41 DC B 1 -5.319 21.713 8.403 1.00 1.00 H new ATOM 0 H42 DC B 1 -5.315 21.723 10.169 1.00 1.00 H new ATOM 0 H5 DC B 1 -4.476 23.565 7.095 1.00 1.00 H new ATOM 0 H6 DC B 1 -3.502 25.809 7.231 1.00 1.00 H new ATOM 791 P DG B 2 0.578 29.783 8.962 1.00 1.00 P ATOM 792 OP1 DG B 2 0.990 31.163 9.347 1.00 1.00 O ATOM 793 OP2 DG B 2 1.108 29.219 7.689 1.00 1.00 O ATOM 794 O5' DG B 2 0.971 28.766 10.172 1.00 1.00 O ATOM 795 C5' DG B 2 0.715 29.099 11.539 1.00 1.00 C ATOM 796 C4' DG B 2 1.241 28.070 12.559 1.00 1.00 C ATOM 797 O4' DG B 2 0.383 26.930 12.630 1.00 1.00 O ATOM 798 C3' DG B 2 2.672 27.585 12.255 1.00 1.00 C ATOM 799 O3' DG B 2 3.455 27.588 13.448 1.00 1.00 O ATOM 800 C2' DG B 2 2.395 26.197 11.678 1.00 1.00 C ATOM 801 C1' DG B 2 1.166 25.755 12.468 1.00 1.00 C ATOM 802 N9 DG B 2 0.371 24.716 11.780 1.00 1.00 N ATOM 803 C8 DG B 2 0.001 24.693 10.465 1.00 1.00 C ATOM 804 N7 DG B 2 -0.757 23.686 10.125 1.00 1.00 N ATOM 805 C5 DG B 2 -0.872 22.957 11.318 1.00 1.00 C ATOM 806 C6 DG B 2 -1.558 21.727 11.626 1.00 1.00 C ATOM 807 O6 DG B 2 -2.280 21.036 10.908 1.00 1.00 O ATOM 808 N1 DG B 2 -1.362 21.289 12.916 1.00 1.00 N ATOM 809 C2 DG B 2 -0.627 21.961 13.829 1.00 1.00 C ATOM 810 N2 DG B 2 -0.540 21.417 15.012 1.00 1.00 N ATOM 811 N3 DG B 2 0.000 23.117 13.614 1.00 1.00 N ATOM 812 C4 DG B 2 -0.155 23.567 12.330 1.00 1.00 C ATOM 0 H5' DG B 2 -0.360 29.211 11.677 1.00 1.00 H new ATOM 0 H5'' DG B 2 1.166 30.068 11.754 1.00 1.00 H new ATOM 0 H4' DG B 2 1.257 28.595 13.514 1.00 1.00 H new ATOM 0 H3' DG B 2 3.257 28.201 11.572 1.00 1.00 H new ATOM 0 H2' DG B 2 2.198 26.234 10.607 1.00 1.00 H new ATOM 0 H2'' DG B 2 3.237 25.521 11.824 1.00 1.00 H new ATOM 0 H1' DG B 2 1.474 25.306 13.412 1.00 1.00 H new ATOM 0 H8 DG B 2 0.312 25.450 9.760 1.00 1.00 H new ATOM 0 H1 DG B 2 -1.795 20.410 13.198 1.00 1.00 H new ATOM 0 H21 DG B 2 0.001 21.875 15.746 1.00 1.00 H new ATOM 0 H22 DG B 2 -1.013 20.534 15.203 1.00 1.00 H new ATOM 824 P DC B 3 5.023 27.160 13.483 1.00 1.00 P ATOM 825 OP1 DC B 3 5.696 27.984 14.526 1.00 1.00 O ATOM 826 OP2 DC B 3 5.574 27.186 12.098 1.00 1.00 O ATOM 827 O5' DC B 3 4.980 25.618 13.987 1.00 1.00 O ATOM 828 C5' DC B 3 4.580 25.304 15.320 1.00 1.00 C ATOM 829 C4' DC B 3 4.498 23.797 15.617 1.00 1.00 C ATOM 830 O4' DC B 3 3.428 23.224 14.881 1.00 1.00 O ATOM 831 C3' DC B 3 5.794 23.027 15.308 1.00 1.00 C ATOM 832 O3' DC B 3 6.359 22.518 16.518 1.00 1.00 O ATOM 833 C2' DC B 3 5.336 21.921 14.351 1.00 1.00 C ATOM 834 C1' DC B 3 3.809 21.945 14.415 1.00 1.00 C ATOM 835 N1 DC B 3 3.181 21.712 13.092 1.00 1.00 N ATOM 836 C2 DC B 3 2.366 20.594 12.889 1.00 1.00 C ATOM 837 O2 DC B 3 2.186 19.745 13.763 1.00 1.00 O ATOM 838 N3 DC B 3 1.735 20.402 11.706 1.00 1.00 N ATOM 839 C4 DC B 3 1.940 21.278 10.747 1.00 1.00 C ATOM 840 N4 DC B 3 1.293 21.047 9.639 1.00 1.00 N ATOM 841 C5 DC B 3 2.777 22.423 10.876 1.00 1.00 C ATOM 842 C6 DC B 3 3.385 22.604 12.077 1.00 1.00 C ATOM 0 H5' DC B 3 3.605 25.754 15.510 1.00 1.00 H new ATOM 0 H5'' DC B 3 5.283 25.762 16.016 1.00 1.00 H new ATOM 0 H4' DC B 3 4.331 23.708 16.690 1.00 1.00 H new ATOM 0 H3' DC B 3 6.580 23.636 14.862 1.00 1.00 H new ATOM 0 H2' DC B 3 5.691 22.105 13.337 1.00 1.00 H new ATOM 0 H2'' DC B 3 5.728 20.950 14.654 1.00 1.00 H new ATOM 0 H1' DC B 3 3.475 21.145 15.076 1.00 1.00 H new ATOM 0 H41 DC B 3 1.397 21.680 8.846 1.00 1.00 H new ATOM 0 H42 DC B 3 0.682 20.233 9.565 1.00 1.00 H new ATOM 0 H5 DC B 3 2.921 23.114 10.059 1.00 1.00 H new ATOM 0 H6 DC B 3 4.032 23.455 12.230 1.00 1.00 H new ATOM 854 P DA B 4 7.831 21.828 16.583 1.00 1.00 P ATOM 855 OP1 DA B 4 8.280 21.866 18.005 1.00 1.00 O ATOM 856 OP2 DA B 4 8.707 22.449 15.550 1.00 1.00 O ATOM 857 O5' DA B 4 7.573 20.280 16.170 1.00 1.00 O ATOM 858 C5' DA B 4 6.775 19.430 16.988 1.00 1.00 C ATOM 859 C4' DA B 4 6.458 18.068 16.344 1.00 1.00 C ATOM 860 O4' DA B 4 5.510 18.194 15.288 1.00 1.00 O ATOM 861 C3' DA B 4 7.699 17.329 15.805 1.00 1.00 C ATOM 862 O3' DA B 4 7.819 16.059 16.442 1.00 1.00 O ATOM 863 C2' DA B 4 7.403 17.269 14.305 1.00 1.00 C ATOM 864 C1' DA B 4 5.879 17.286 14.266 1.00 1.00 C ATOM 865 N9 DA B 4 5.360 17.781 12.979 1.00 1.00 N ATOM 866 C8 DA B 4 5.723 18.937 12.351 1.00 1.00 C ATOM 867 N7 DA B 4 5.037 19.210 11.273 1.00 1.00 N ATOM 868 C5 DA B 4 4.198 18.089 11.159 1.00 1.00 C ATOM 869 C6 DA B 4 3.226 17.662 10.221 1.00 1.00 C ATOM 870 N6 DA B 4 2.853 18.363 9.170 1.00 1.00 N ATOM 871 N1 DA B 4 2.619 16.478 10.330 1.00 1.00 N ATOM 872 C2 DA B 4 2.935 15.721 11.371 1.00 1.00 C ATOM 873 N3 DA B 4 3.803 15.986 12.342 1.00 1.00 N ATOM 874 C4 DA B 4 4.407 17.199 12.176 1.00 1.00 C ATOM 0 H5' DA B 4 5.839 19.938 17.220 1.00 1.00 H new ATOM 0 H5'' DA B 4 7.290 19.263 17.934 1.00 1.00 H new ATOM 0 H4' DA B 4 6.041 17.472 17.156 1.00 1.00 H new ATOM 0 H3' DA B 4 8.661 17.803 15.999 1.00 1.00 H new ATOM 0 H2' DA B 4 7.832 18.118 13.773 1.00 1.00 H new ATOM 0 H2'' DA B 4 7.810 16.368 13.847 1.00 1.00 H new ATOM 0 H1' DA B 4 5.477 16.281 14.397 1.00 1.00 H new ATOM 0 H8 DA B 4 6.514 19.575 12.716 1.00 1.00 H new ATOM 0 H61 DA B 4 2.146 17.993 8.535 1.00 1.00 H new ATOM 0 H62 DA B 4 3.271 19.276 8.991 1.00 1.00 H new ATOM 0 H2 DA B 4 2.424 14.772 11.439 1.00 1.00 H new ATOM 886 P DT B 5 9.140 15.122 16.289 1.00 1.00 P ATOM 887 OP1 DT B 5 9.233 14.264 17.505 1.00 1.00 O ATOM 888 OP2 DT B 5 10.312 15.971 15.934 1.00 1.00 O ATOM 889 O5' DT B 5 8.791 14.179 15.019 1.00 1.00 O ATOM 890 C5' DT B 5 7.762 13.197 15.097 1.00 1.00 C ATOM 891 C4' DT B 5 7.467 12.521 13.752 1.00 1.00 C ATOM 892 O4' DT B 5 6.829 13.445 12.875 1.00 1.00 O ATOM 893 C3' DT B 5 8.724 11.971 13.053 1.00 1.00 C ATOM 894 O3' DT B 5 8.531 10.610 12.677 1.00 1.00 O ATOM 895 C2' DT B 5 8.866 12.912 11.858 1.00 1.00 C ATOM 896 C1' DT B 5 7.411 13.307 11.595 1.00 1.00 C ATOM 897 N1 DT B 5 7.181 14.550 10.797 1.00 1.00 N ATOM 898 C2 DT B 5 6.072 14.555 9.939 1.00 1.00 C ATOM 899 O2 DT B 5 5.299 13.605 9.827 1.00 1.00 O ATOM 900 N3 DT B 5 5.854 15.684 9.188 1.00 1.00 N ATOM 901 C4 DT B 5 6.606 16.836 9.254 1.00 1.00 C ATOM 902 O4 DT B 5 6.276 17.788 8.556 1.00 1.00 O ATOM 903 C5 DT B 5 7.741 16.782 10.174 1.00 1.00 C ATOM 904 C7 DT B 5 8.655 17.987 10.319 1.00 1.00 C ATOM 905 C6 DT B 5 7.994 15.664 10.903 1.00 1.00 C ATOM 0 H5' DT B 5 6.850 13.665 15.469 1.00 1.00 H new ATOM 0 H5'' DT B 5 8.049 12.436 15.823 1.00 1.00 H new ATOM 0 H4' DT B 5 6.818 11.674 13.975 1.00 1.00 H new ATOM 0 H3' DT B 5 9.621 11.952 13.672 1.00 1.00 H new ATOM 0 H2' DT B 5 9.489 13.776 12.090 1.00 1.00 H new ATOM 0 H2'' DT B 5 9.317 12.416 10.998 1.00 1.00 H new ATOM 0 H1' DT B 5 6.967 12.534 10.968 1.00 1.00 H new ATOM 0 H3 DT B 5 5.075 15.668 8.530 1.00 1.00 H new ATOM 0 H71 DT B 5 9.065 18.013 11.328 1.00 1.00 H new ATOM 0 H72 DT B 5 9.469 17.915 9.598 1.00 1.00 H new ATOM 0 H73 DT B 5 8.087 18.899 10.135 1.00 1.00 H new ATOM 0 H6 DT B 5 8.840 15.645 11.574 1.00 1.00 H new ATOM 918 P DA B 6 9.729 9.686 12.077 1.00 1.00 P ATOM 919 OP1 DA B 6 9.719 8.391 12.812 1.00 1.00 O ATOM 920 OP2 DA B 6 10.998 10.466 12.033 1.00 1.00 O ATOM 921 O5' DA B 6 9.246 9.430 10.549 1.00 1.00 O ATOM 922 C5' DA B 6 8.122 8.597 10.277 1.00 1.00 C ATOM 923 C4' DA B 6 7.789 8.428 8.787 1.00 1.00 C ATOM 924 O4' DA B 6 7.277 9.647 8.252 1.00 1.00 O ATOM 925 C3' DA B 6 8.978 7.978 7.926 1.00 1.00 C ATOM 926 O3' DA B 6 8.507 6.982 7.021 1.00 1.00 O ATOM 927 C2' DA B 6 9.417 9.304 7.307 1.00 1.00 C ATOM 928 C1' DA B 6 8.130 10.125 7.228 1.00 1.00 C ATOM 929 N9 DA B 6 8.357 11.578 7.412 1.00 1.00 N ATOM 930 C8 DA B 6 9.259 12.196 8.237 1.00 1.00 C ATOM 931 N7 DA B 6 9.312 13.498 8.118 1.00 1.00 N ATOM 932 C5 DA B 6 8.363 13.748 7.116 1.00 1.00 C ATOM 933 C6 DA B 6 7.912 14.906 6.441 1.00 1.00 C ATOM 934 N6 DA B 6 8.380 16.123 6.650 1.00 1.00 N ATOM 935 N1 DA B 6 6.967 14.839 5.508 1.00 1.00 N ATOM 936 C2 DA B 6 6.457 13.647 5.222 1.00 1.00 C ATOM 937 N3 DA B 6 6.775 12.476 5.765 1.00 1.00 N ATOM 938 C4 DA B 6 7.753 12.593 6.704 1.00 1.00 C ATOM 0 H5' DA B 6 7.250 9.010 10.785 1.00 1.00 H new ATOM 0 H5'' DA B 6 8.305 7.613 10.708 1.00 1.00 H new ATOM 0 H4' DA B 6 7.042 7.635 8.747 1.00 1.00 H new ATOM 0 H3' DA B 6 9.823 7.500 8.421 1.00 1.00 H new ATOM 0 H2' DA B 6 10.169 9.800 7.920 1.00 1.00 H new ATOM 0 H2'' DA B 6 9.857 9.157 6.321 1.00 1.00 H new ATOM 0 H1' DA B 6 7.696 10.008 6.235 1.00 1.00 H new ATOM 0 H8 DA B 6 9.879 11.650 8.933 1.00 1.00 H new ATOM 0 H61 DA B 6 8.004 16.911 6.123 1.00 1.00 H new ATOM 0 H62 DA B 6 9.117 16.275 7.338 1.00 1.00 H new ATOM 0 H2 DA B 6 5.694 13.626 4.458 1.00 1.00 H new ATOM 950 P DT B 7 9.373 6.398 5.783 1.00 1.00 P ATOM 951 OP1 DT B 7 8.860 5.035 5.459 1.00 1.00 O ATOM 952 OP2 DT B 7 10.829 6.565 6.058 1.00 1.00 O ATOM 953 O5' DT B 7 8.930 7.410 4.599 1.00 1.00 O ATOM 954 C5' DT B 7 7.559 7.528 4.238 1.00 1.00 C ATOM 955 C4' DT B 7 7.289 8.653 3.233 1.00 1.00 C ATOM 956 O4' DT B 7 7.615 9.911 3.802 1.00 1.00 O ATOM 957 C3' DT B 7 8.064 8.493 1.916 1.00 1.00 C ATOM 958 O3' DT B 7 7.172 8.672 0.821 1.00 1.00 O ATOM 959 C2' DT B 7 9.074 9.626 2.015 1.00 1.00 C ATOM 960 C1' DT B 7 8.275 10.658 2.802 1.00 1.00 C ATOM 961 N1 DT B 7 9.131 11.704 3.405 1.00 1.00 N ATOM 962 C2 DT B 7 8.920 13.038 3.039 1.00 1.00 C ATOM 963 O2 DT B 7 8.116 13.406 2.185 1.00 1.00 O ATOM 964 N3 DT B 7 9.679 13.979 3.685 1.00 1.00 N ATOM 965 C4 DT B 7 10.680 13.726 4.588 1.00 1.00 C ATOM 966 O4 DT B 7 11.291 14.692 5.051 1.00 1.00 O ATOM 967 C5 DT B 7 10.898 12.308 4.883 1.00 1.00 C ATOM 968 C7 DT B 7 11.996 11.895 5.847 1.00 1.00 C ATOM 969 C6 DT B 7 10.129 11.357 4.290 1.00 1.00 C ATOM 0 H5' DT B 7 6.968 7.704 5.137 1.00 1.00 H new ATOM 0 H5'' DT B 7 7.220 6.583 3.814 1.00 1.00 H new ATOM 0 H4' DT B 7 6.226 8.596 3.000 1.00 1.00 H new ATOM 0 H3' DT B 7 8.530 7.520 1.763 1.00 1.00 H new ATOM 0 H2' DT B 7 9.983 9.324 2.535 1.00 1.00 H new ATOM 0 H2'' DT B 7 9.375 9.997 1.035 1.00 1.00 H new ATOM 0 H1' DT B 7 7.587 11.199 2.153 1.00 1.00 H new ATOM 0 H3 DT B 7 9.481 14.957 3.475 1.00 1.00 H new ATOM 0 H71 DT B 7 11.710 10.972 6.351 1.00 1.00 H new ATOM 0 H72 DT B 7 12.923 11.735 5.296 1.00 1.00 H new ATOM 0 H73 DT B 7 12.145 12.681 6.587 1.00 1.00 H new ATOM 0 H6 DT B 7 10.302 10.315 4.515 1.00 1.00 H new ATOM 982 P DA B 8 7.428 8.018 -0.630 1.00 1.00 P ATOM 983 OP1 DA B 8 6.134 8.050 -1.358 1.00 1.00 O ATOM 984 OP2 DA B 8 8.079 6.695 -0.432 1.00 1.00 O ATOM 985 O5' DA B 8 8.455 9.029 -1.345 1.00 1.00 O ATOM 986 C5' DA B 8 7.967 10.165 -2.046 1.00 1.00 C ATOM 987 C4' DA B 8 9.054 11.126 -2.543 1.00 1.00 C ATOM 988 O4' DA B 8 9.465 11.983 -1.487 1.00 1.00 O ATOM 989 C3' DA B 8 10.311 10.455 -3.135 1.00 1.00 C ATOM 990 O3' DA B 8 10.415 10.724 -4.532 1.00 1.00 O ATOM 991 C2' DA B 8 11.439 11.073 -2.305 1.00 1.00 C ATOM 992 C1' DA B 8 10.811 12.329 -1.721 1.00 1.00 C ATOM 993 N9 DA B 8 11.407 12.768 -0.439 1.00 1.00 N ATOM 994 C8 DA B 8 11.636 12.048 0.714 1.00 1.00 C ATOM 995 N7 DA B 8 12.131 12.750 1.704 1.00 1.00 N ATOM 996 C5 DA B 8 12.239 14.036 1.151 1.00 1.00 C ATOM 997 C6 DA B 8 12.673 15.309 1.612 1.00 1.00 C ATOM 998 N6 DA B 8 13.077 15.612 2.833 1.00 1.00 N ATOM 999 N1 DA B 8 12.649 16.374 0.812 1.00 1.00 N ATOM 1000 C2 DA B 8 12.196 16.217 -0.416 1.00 1.00 C ATOM 1001 N3 DA B 8 11.749 15.114 -0.992 1.00 1.00 N ATOM 1002 C4 DA B 8 11.805 14.047 -0.150 1.00 1.00 C ATOM 0 H5' DA B 8 7.287 10.713 -1.394 1.00 1.00 H new ATOM 0 H5'' DA B 8 7.383 9.824 -2.901 1.00 1.00 H new ATOM 0 H4' DA B 8 8.582 11.673 -3.359 1.00 1.00 H new ATOM 0 H3' DA B 8 10.316 9.366 -3.078 1.00 1.00 H new ATOM 0 H2' DA B 8 11.778 10.394 -1.523 1.00 1.00 H new ATOM 0 H2'' DA B 8 12.307 11.309 -2.921 1.00 1.00 H new ATOM 0 H1' DA B 8 10.960 13.157 -2.414 1.00 1.00 H new ATOM 0 H8 DA B 8 11.425 10.992 0.795 1.00 1.00 H new ATOM 0 H61 DA B 8 13.368 16.565 3.052 1.00 1.00 H new ATOM 0 H62 DA B 8 13.098 14.893 3.556 1.00 1.00 H new ATOM 0 H2 DA B 8 12.189 17.104 -1.031 1.00 1.00 H new ATOM 1014 P DT B 9 11.630 10.127 -5.447 1.00 1.00 P ATOM 1015 OP1 DT B 9 11.034 9.622 -6.711 1.00 1.00 O ATOM 1016 OP2 DT B 9 12.494 9.213 -4.646 1.00 1.00 O ATOM 1017 O5' DT B 9 12.454 11.476 -5.768 1.00 1.00 O ATOM 1018 C5' DT B 9 11.873 12.502 -6.568 1.00 1.00 C ATOM 1019 C4' DT B 9 12.770 13.735 -6.725 1.00 1.00 C ATOM 1020 O4' DT B 9 12.861 14.422 -5.483 1.00 1.00 O ATOM 1021 C3' DT B 9 14.177 13.381 -7.227 1.00 1.00 C ATOM 1022 O3' DT B 9 14.510 14.158 -8.377 1.00 1.00 O ATOM 1023 C2' DT B 9 15.035 13.656 -5.994 1.00 1.00 C ATOM 1024 C1' DT B 9 14.217 14.662 -5.180 1.00 1.00 C ATOM 1025 N1 DT B 9 14.440 14.546 -3.711 1.00 1.00 N ATOM 1026 C2 DT B 9 14.743 15.713 -2.992 1.00 1.00 C ATOM 1027 O2 DT B 9 14.734 16.846 -3.475 1.00 1.00 O ATOM 1028 N3 DT B 9 15.073 15.550 -1.666 1.00 1.00 N ATOM 1029 C4 DT B 9 15.101 14.357 -0.988 1.00 1.00 C ATOM 1030 O4 DT B 9 15.367 14.366 0.212 1.00 1.00 O ATOM 1031 C5 DT B 9 14.770 13.180 -1.790 1.00 1.00 C ATOM 1032 C7 DT B 9 14.822 11.801 -1.161 1.00 1.00 C ATOM 1033 C6 DT B 9 14.428 13.311 -3.095 1.00 1.00 C ATOM 0 H5' DT B 9 10.925 12.806 -6.123 1.00 1.00 H new ATOM 0 H5'' DT B 9 11.647 12.098 -7.555 1.00 1.00 H new ATOM 0 H4' DT B 9 12.311 14.376 -7.478 1.00 1.00 H new ATOM 0 H3' DT B 9 14.307 12.358 -7.579 1.00 1.00 H new ATOM 0 H2' DT B 9 15.221 12.744 -5.427 1.00 1.00 H new ATOM 0 H2'' DT B 9 16.007 14.064 -6.269 1.00 1.00 H new ATOM 0 H1' DT B 9 14.527 15.672 -5.447 1.00 1.00 H new ATOM 0 H3 DT B 9 15.318 16.389 -1.141 1.00 1.00 H new ATOM 0 H71 DT B 9 14.092 11.152 -1.645 1.00 1.00 H new ATOM 0 H72 DT B 9 15.820 11.381 -1.286 1.00 1.00 H new ATOM 0 H73 DT B 9 14.591 11.877 -0.098 1.00 1.00 H new ATOM 0 H6 DT B 9 14.142 12.437 -3.661 1.00 1.00 H new ATOM 1046 P DG B 10 15.984 14.150 -9.063 1.00 1.00 P ATOM 1047 OP1 DG B 10 15.821 14.445 -10.509 1.00 1.00 O ATOM 1048 OP2 DG B 10 16.720 12.918 -8.665 1.00 1.00 O ATOM 1049 O5' DG B 10 16.685 15.429 -8.361 1.00 1.00 O ATOM 1050 C5' DG B 10 16.137 16.736 -8.516 1.00 1.00 C ATOM 1051 C4' DG B 10 16.982 17.854 -7.876 1.00 1.00 C ATOM 1052 O4' DG B 10 16.909 17.793 -6.451 1.00 1.00 O ATOM 1053 C3' DG B 10 18.462 17.790 -8.294 1.00 1.00 C ATOM 1054 O3' DG B 10 18.951 19.103 -8.575 1.00 1.00 O ATOM 1055 C2' DG B 10 19.079 17.130 -7.063 1.00 1.00 C ATOM 1056 C1' DG B 10 18.225 17.686 -5.927 1.00 1.00 C ATOM 1057 N9 DG B 10 18.231 16.815 -4.736 1.00 1.00 N ATOM 1058 C8 DG B 10 18.050 15.462 -4.702 1.00 1.00 C ATOM 1059 N7 DG B 10 18.045 14.939 -3.504 1.00 1.00 N ATOM 1060 C5 DG B 10 18.305 16.042 -2.677 1.00 1.00 C ATOM 1061 C6 DG B 10 18.472 16.142 -1.248 1.00 1.00 C ATOM 1062 O6 DG B 10 18.340 15.270 -0.388 1.00 1.00 O ATOM 1063 N1 DG B 10 18.840 17.398 -0.823 1.00 1.00 N ATOM 1064 C2 DG B 10 18.979 18.457 -1.651 1.00 1.00 C ATOM 1065 N2 DG B 10 19.361 19.573 -1.095 1.00 1.00 N ATOM 1066 N3 DG B 10 18.781 18.437 -2.969 1.00 1.00 N ATOM 1067 C4 DG B 10 18.457 17.190 -3.430 1.00 1.00 C ATOM 0 H5' DG B 10 15.139 16.754 -8.078 1.00 1.00 H new ATOM 0 H5'' DG B 10 16.022 16.946 -9.579 1.00 1.00 H new ATOM 0 H4' DG B 10 16.562 18.793 -8.236 1.00 1.00 H new ATOM 0 H3' DG B 10 18.686 17.241 -9.209 1.00 1.00 H new ATOM 0 H2' DG B 10 19.026 16.043 -7.116 1.00 1.00 H new ATOM 0 H2'' DG B 10 20.130 17.392 -6.946 1.00 1.00 H new ATOM 0 H1' DG B 10 18.621 18.645 -5.593 1.00 1.00 H new ATOM 0 H8 DG B 10 17.921 14.870 -5.596 1.00 1.00 H new ATOM 0 H1 DG B 10 19.018 17.537 0.172 1.00 1.00 H new ATOM 0 H21 DG B 10 19.485 20.410 -1.664 1.00 1.00 H new ATOM 0 H22 DG B 10 19.536 19.609 -0.091 1.00 1.00 H new ATOM 1079 P DC B 11 20.454 19.392 -9.130 1.00 1.00 P ATOM 1080 OP1 DC B 11 20.364 20.468 -10.158 1.00 1.00 O ATOM 1081 OP2 DC B 11 21.101 18.105 -9.514 1.00 1.00 O ATOM 1082 O5' DC B 11 21.231 19.980 -7.831 1.00 1.00 O ATOM 1083 C5' DC B 11 20.850 21.230 -7.257 1.00 1.00 C ATOM 1084 C4' DC B 11 21.716 21.678 -6.064 1.00 1.00 C ATOM 1085 O4' DC B 11 21.477 20.841 -4.935 1.00 1.00 O ATOM 1086 C3' DC B 11 23.223 21.684 -6.377 1.00 1.00 C ATOM 1087 O3' DC B 11 23.827 22.881 -5.879 1.00 1.00 O ATOM 1088 C2' DC B 11 23.689 20.402 -5.682 1.00 1.00 C ATOM 1089 C1' DC B 11 22.698 20.258 -4.521 1.00 1.00 C ATOM 1090 N1 DC B 11 22.440 18.868 -4.066 1.00 1.00 N ATOM 1091 C2 DC B 11 22.455 18.559 -2.698 1.00 1.00 C ATOM 1092 O2 DC B 11 22.773 19.384 -1.839 1.00 1.00 O ATOM 1093 N3 DC B 11 22.124 17.318 -2.263 1.00 1.00 N ATOM 1094 C4 DC B 11 21.790 16.415 -3.161 1.00 1.00 C ATOM 1095 N4 DC B 11 21.420 15.259 -2.688 1.00 1.00 N ATOM 1096 C5 DC B 11 21.785 16.653 -4.562 1.00 1.00 C ATOM 1097 C6 DC B 11 22.118 17.901 -4.975 1.00 1.00 C ATOM 0 H5' DC B 11 19.812 21.164 -6.931 1.00 1.00 H new ATOM 0 H5'' DC B 11 20.893 21.998 -8.029 1.00 1.00 H new ATOM 0 H4' DC B 11 21.423 22.705 -5.846 1.00 1.00 H new ATOM 0 H3' DC B 11 23.488 21.689 -7.434 1.00 1.00 H new ATOM 0 H2' DC B 11 23.652 19.543 -6.353 1.00 1.00 H new ATOM 0 H2'' DC B 11 24.716 20.486 -5.327 1.00 1.00 H new ATOM 0 H1' DC B 11 23.149 20.755 -3.662 1.00 1.00 H new ATOM 0 H41 DC B 11 21.147 14.511 -3.325 1.00 1.00 H new ATOM 0 H42 DC B 11 21.403 15.102 -1.680 1.00 1.00 H new ATOM 0 H5 DC B 11 21.528 15.875 -5.266 1.00 1.00 H new ATOM 0 H6 DC B 11 22.129 18.132 -6.030 1.00 1.00 H new ATOM 1109 P DG B 12 25.353 23.310 -6.247 1.00 1.00 P ATOM 1110 OP1 DG B 12 25.499 24.766 -5.972 1.00 1.00 O ATOM 1111 OP2 DG B 12 25.679 22.820 -7.617 1.00 1.00 O ATOM 1112 O5' DG B 12 26.276 22.498 -5.190 1.00 1.00 O ATOM 1113 C5' DG B 12 26.297 22.851 -3.811 1.00 1.00 C ATOM 1114 C4' DG B 12 26.867 21.742 -2.910 1.00 1.00 C ATOM 1115 O4' DG B 12 25.989 20.632 -2.829 1.00 1.00 O ATOM 1116 C3' DG B 12 28.233 21.185 -3.343 1.00 1.00 C ATOM 1117 O3' DG B 12 29.319 21.858 -2.704 1.00 1.00 O ATOM 1118 C2' DG B 12 28.167 19.718 -2.911 1.00 1.00 C ATOM 1119 C1' DG B 12 26.748 19.537 -2.359 1.00 1.00 C ATOM 1120 N9 DG B 12 26.132 18.270 -2.786 1.00 1.00 N ATOM 1121 C8 DG B 12 25.876 17.861 -4.065 1.00 1.00 C ATOM 1122 N7 DG B 12 25.360 16.661 -4.154 1.00 1.00 N ATOM 1123 C5 DG B 12 25.277 16.241 -2.815 1.00 1.00 C ATOM 1124 C6 DG B 12 24.814 15.014 -2.213 1.00 1.00 C ATOM 1125 O6 DG B 12 24.350 13.999 -2.736 1.00 1.00 O ATOM 1126 N1 DG B 12 24.929 15.000 -0.840 1.00 1.00 N ATOM 1127 C2 DG B 12 25.445 16.017 -0.112 1.00 1.00 C ATOM 1128 N2 DG B 12 25.543 15.834 1.176 1.00 1.00 N ATOM 1129 N3 DG B 12 25.882 17.165 -0.614 1.00 1.00 N ATOM 1130 C4 DG B 12 25.764 17.223 -1.974 1.00 1.00 C ATOM 0 H5' DG B 12 25.283 23.088 -3.488 1.00 1.00 H new ATOM 0 H5'' DG B 12 26.892 23.756 -3.683 1.00 1.00 H new ATOM 0 H4' DG B 12 26.987 22.245 -1.950 1.00 1.00 H new ATOM 0 H3' DG B 12 28.414 21.317 -4.410 1.00 1.00 H new ATOM 0 H2' DG B 12 28.353 19.049 -3.751 1.00 1.00 H new ATOM 0 H2'' DG B 12 28.918 19.494 -2.153 1.00 1.00 H new ATOM 0 HO3' DG B 12 30.167 21.471 -3.007 1.00 1.00 H new ATOM 0 H1' DG B 12 26.781 19.501 -1.270 1.00 1.00 H new ATOM 0 H8 DG B 12 26.082 18.476 -4.929 1.00 1.00 H new ATOM 0 H1 DG B 12 24.605 14.171 -0.341 1.00 1.00 H new ATOM 0 H21 DG B 12 25.926 16.571 1.768 1.00 1.00 H new ATOM 0 H22 DG B 12 25.237 14.954 1.591 1.00 1.00 H new TER 1143 DG B 12 ATOM 1144 O5' DC C 13 22.761 7.935 4.766 1.00 1.00 O ATOM 1145 C5' DC C 13 24.084 8.062 5.299 1.00 1.00 C ATOM 1146 C4' DC C 13 24.588 9.516 5.411 1.00 1.00 C ATOM 1147 O4' DC C 13 24.746 10.099 4.120 1.00 1.00 O ATOM 1148 C3' DC C 13 23.626 10.389 6.229 1.00 1.00 C ATOM 1149 O3' DC C 13 24.349 11.202 7.154 1.00 1.00 O ATOM 1150 C2' DC C 13 22.918 11.188 5.139 1.00 1.00 C ATOM 1151 C1' DC C 13 24.016 11.315 4.081 1.00 1.00 C ATOM 1152 N1 DC C 13 23.551 11.587 2.694 1.00 1.00 N ATOM 1153 C2 DC C 13 24.166 12.589 1.931 1.00 1.00 C ATOM 1154 O2 DC C 13 25.015 13.352 2.401 1.00 1.00 O ATOM 1155 N3 DC C 13 23.853 12.758 0.622 1.00 1.00 N ATOM 1156 C4 DC C 13 22.919 11.987 0.099 1.00 1.00 C ATOM 1157 N4 DC C 13 22.692 12.159 -1.175 1.00 1.00 N ATOM 1158 C5 DC C 13 22.237 10.974 0.831 1.00 1.00 C ATOM 1159 C6 DC C 13 22.590 10.804 2.126 1.00 1.00 C ATOM 0 H5' DC C 13 24.772 7.499 4.669 1.00 1.00 H new ATOM 0 H5'' DC C 13 24.110 7.604 6.288 1.00 1.00 H new ATOM 0 H4' DC C 13 25.551 9.476 5.920 1.00 1.00 H new ATOM 0 H3' DC C 13 22.925 9.840 6.857 1.00 1.00 H new ATOM 0 H2' DC C 13 22.040 10.668 4.756 1.00 1.00 H new ATOM 0 H2'' DC C 13 22.582 12.161 5.498 1.00 1.00 H new ATOM 0 HO5' DC C 13 22.515 6.987 4.725 1.00 1.00 H new ATOM 0 H1' DC C 13 24.614 12.193 4.328 1.00 1.00 H new ATOM 0 H41 DC C 13 21.983 11.598 -1.647 1.00 1.00 H new ATOM 0 H42 DC C 13 23.223 12.855 -1.698 1.00 1.00 H new ATOM 0 H5 DC C 13 21.471 10.367 0.372 1.00 1.00 H new ATOM 0 H6 DC C 13 22.106 10.040 2.716 1.00 1.00 H new ATOM 1172 P DG C 14 23.614 12.122 8.274 1.00 1.00 P ATOM 1173 OP1 DG C 14 24.431 12.055 9.518 1.00 1.00 O ATOM 1174 OP2 DG C 14 22.177 11.732 8.359 1.00 1.00 O ATOM 1175 O5' DG C 14 23.688 13.634 7.681 1.00 1.00 O ATOM 1176 C5' DG C 14 24.908 14.377 7.685 1.00 1.00 C ATOM 1177 C4' DG C 14 24.762 15.865 7.298 1.00 1.00 C ATOM 1178 O4' DG C 14 24.613 16.022 5.886 1.00 1.00 O ATOM 1179 C3' DG C 14 23.578 16.565 7.995 1.00 1.00 C ATOM 1180 O3' DG C 14 23.976 17.868 8.429 1.00 1.00 O ATOM 1181 C2' DG C 14 22.532 16.552 6.879 1.00 1.00 C ATOM 1182 C1' DG C 14 23.374 16.660 5.610 1.00 1.00 C ATOM 1183 N9 DG C 14 22.753 16.013 4.439 1.00 1.00 N ATOM 1184 C8 DG C 14 22.118 14.803 4.393 1.00 1.00 C ATOM 1185 N7 DG C 14 21.728 14.437 3.202 1.00 1.00 N ATOM 1186 C5 DG C 14 22.100 15.524 2.398 1.00 1.00 C ATOM 1187 C6 DG C 14 21.931 15.772 0.989 1.00 1.00 C ATOM 1188 O6 DG C 14 21.456 15.042 0.119 1.00 1.00 O ATOM 1189 N1 DG C 14 22.374 17.015 0.590 1.00 1.00 N ATOM 1190 C2 DG C 14 22.958 17.905 1.420 1.00 1.00 C ATOM 1191 N2 DG C 14 23.340 19.035 0.889 1.00 1.00 N ATOM 1192 N3 DG C 14 23.177 17.713 2.718 1.00 1.00 N ATOM 1193 C4 DG C 14 22.712 16.501 3.154 1.00 1.00 C ATOM 0 H5' DG C 14 25.607 13.904 6.996 1.00 1.00 H new ATOM 0 H5'' DG C 14 25.350 14.317 8.679 1.00 1.00 H new ATOM 0 H4' DG C 14 25.683 16.339 7.637 1.00 1.00 H new ATOM 0 H3' DG C 14 23.202 16.099 8.906 1.00 1.00 H new ATOM 0 H2' DG C 14 21.940 15.637 6.893 1.00 1.00 H new ATOM 0 H2'' DG C 14 21.834 17.384 6.971 1.00 1.00 H new ATOM 0 H1' DG C 14 23.484 17.714 5.355 1.00 1.00 H new ATOM 0 H8 DG C 14 21.952 14.198 5.272 1.00 1.00 H new ATOM 0 H1 DG C 14 22.254 17.277 -0.388 1.00 1.00 H new ATOM 0 H21 DG C 14 23.787 19.745 1.468 1.00 1.00 H new ATOM 0 H22 DG C 14 23.191 19.207 -0.105 1.00 1.00 H new ATOM 1205 P DC C 15 22.985 18.880 9.227 1.00 1.00 P ATOM 1206 OP1 DC C 15 23.830 19.873 9.951 1.00 1.00 O ATOM 1207 OP2 DC C 15 22.006 18.078 10.013 1.00 1.00 O ATOM 1208 O5' DC C 15 22.183 19.657 8.048 1.00 1.00 O ATOM 1209 C5' DC C 15 22.872 20.519 7.144 1.00 1.00 C ATOM 1210 C4' DC C 15 22.076 20.830 5.867 1.00 1.00 C ATOM 1211 O4' DC C 15 21.846 19.660 5.100 1.00 1.00 O ATOM 1212 C3' DC C 15 20.712 21.505 6.098 1.00 1.00 C ATOM 1213 O3' DC C 15 20.849 22.921 5.974 1.00 1.00 O ATOM 1214 C2' DC C 15 19.828 20.861 5.023 1.00 1.00 C ATOM 1215 C1' DC C 15 20.760 19.941 4.241 1.00 1.00 C ATOM 1216 N1 DC C 15 20.081 18.695 3.821 1.00 1.00 N ATOM 1217 C2 DC C 15 19.756 18.499 2.474 1.00 1.00 C ATOM 1218 O2 DC C 15 19.964 19.354 1.614 1.00 1.00 O ATOM 1219 N3 DC C 15 19.210 17.335 2.059 1.00 1.00 N ATOM 1220 C4 DC C 15 18.960 16.407 2.960 1.00 1.00 C ATOM 1221 N4 DC C 15 18.455 15.306 2.487 1.00 1.00 N ATOM 1222 C5 DC C 15 19.219 16.568 4.354 1.00 1.00 C ATOM 1223 C6 DC C 15 19.781 17.739 4.748 1.00 1.00 C ATOM 0 H5' DC C 15 23.821 20.059 6.868 1.00 1.00 H new ATOM 0 H5'' DC C 15 23.107 21.454 7.653 1.00 1.00 H new ATOM 0 H4' DC C 15 22.714 21.538 5.338 1.00 1.00 H new ATOM 0 H3' DC C 15 20.283 21.364 7.090 1.00 1.00 H new ATOM 0 H2' DC C 15 19.007 20.302 5.471 1.00 1.00 H new ATOM 0 H2'' DC C 15 19.383 21.616 4.374 1.00 1.00 H new ATOM 0 H1' DC C 15 21.091 20.422 3.321 1.00 1.00 H new ATOM 0 H41 DC C 15 18.232 14.536 3.117 1.00 1.00 H new ATOM 0 H42 DC C 15 18.282 15.213 1.486 1.00 1.00 H new ATOM 0 H5 DC C 15 18.978 15.792 5.065 1.00 1.00 H new ATOM 0 H6 DC C 15 19.990 17.914 5.793 1.00 1.00 H new ATOM 1235 P DA C 16 19.605 23.959 6.130 1.00 1.00 P ATOM 1236 OP1 DA C 16 20.175 25.316 6.371 1.00 1.00 O ATOM 1237 OP2 DA C 16 18.640 23.412 7.125 1.00 1.00 O ATOM 1238 O5' DA C 16 18.894 23.959 4.671 1.00 1.00 O ATOM 1239 C5' DA C 16 19.628 24.311 3.499 1.00 1.00 C ATOM 1240 C4' DA C 16 18.824 24.194 2.187 1.00 1.00 C ATOM 1241 O4' DA C 16 18.621 22.834 1.800 1.00 1.00 O ATOM 1242 C3' DA C 16 17.451 24.888 2.273 1.00 1.00 C ATOM 1243 O3' DA C 16 17.248 25.734 1.141 1.00 1.00 O ATOM 1244 C2' DA C 16 16.523 23.678 2.352 1.00 1.00 C ATOM 1245 C1' DA C 16 17.248 22.655 1.484 1.00 1.00 C ATOM 1246 N9 DA C 16 16.852 21.276 1.814 1.00 1.00 N ATOM 1247 C8 DA C 16 16.873 20.714 3.059 1.00 1.00 C ATOM 1248 N7 DA C 16 16.614 19.434 3.086 1.00 1.00 N ATOM 1249 C5 DA C 16 16.331 19.161 1.737 1.00 1.00 C ATOM 1250 C6 DA C 16 15.936 18.007 1.016 1.00 1.00 C ATOM 1251 N6 DA C 16 15.810 16.810 1.550 1.00 1.00 N ATOM 1252 N1 DA C 16 15.622 18.059 -0.279 1.00 1.00 N ATOM 1253 C2 DA C 16 15.718 19.233 -0.888 1.00 1.00 C ATOM 1254 N3 DA C 16 16.129 20.389 -0.370 1.00 1.00 N ATOM 1255 C4 DA C 16 16.426 20.284 0.960 1.00 1.00 C ATOM 0 H5' DA C 16 20.508 23.672 3.430 1.00 1.00 H new ATOM 0 H5'' DA C 16 19.985 25.336 3.602 1.00 1.00 H new ATOM 0 H4' DA C 16 19.431 24.698 1.435 1.00 1.00 H new ATOM 0 H3' DA C 16 17.303 25.571 3.110 1.00 1.00 H new ATOM 0 H2' DA C 16 16.399 23.327 3.376 1.00 1.00 H new ATOM 0 H2'' DA C 16 15.528 23.903 1.969 1.00 1.00 H new ATOM 0 H1' DA C 16 17.017 22.800 0.429 1.00 1.00 H new ATOM 0 H8 DA C 16 17.087 21.284 3.951 1.00 1.00 H new ATOM 0 H61 DA C 16 15.521 16.021 0.971 1.00 1.00 H new ATOM 0 H62 DA C 16 16.001 16.672 2.542 1.00 1.00 H new ATOM 0 H2 DA C 16 15.428 19.254 -1.928 1.00 1.00 H new ATOM 1267 P DT C 17 15.967 26.726 1.008 1.00 1.00 P ATOM 1268 OP1 DT C 17 16.317 27.796 0.030 1.00 1.00 O ATOM 1269 OP2 DT C 17 15.522 27.139 2.370 1.00 1.00 O ATOM 1270 O5' DT C 17 14.818 25.786 0.360 1.00 1.00 O ATOM 1271 C5' DT C 17 14.945 25.297 -0.972 1.00 1.00 C ATOM 1272 C4' DT C 17 13.881 24.257 -1.351 1.00 1.00 C ATOM 1273 O4' DT C 17 14.091 23.030 -0.662 1.00 1.00 O ATOM 1274 C3' DT C 17 12.433 24.718 -1.093 1.00 1.00 C ATOM 1275 O3' DT C 17 11.725 24.772 -2.329 1.00 1.00 O ATOM 1276 C2' DT C 17 11.925 23.657 -0.109 1.00 1.00 C ATOM 1277 C1' DT C 17 12.819 22.461 -0.433 1.00 1.00 C ATOM 1278 N1 DT C 17 12.899 21.439 0.644 1.00 1.00 N ATOM 1279 C2 DT C 17 12.703 20.090 0.302 1.00 1.00 C ATOM 1280 O2 DT C 17 12.446 19.681 -0.834 1.00 1.00 O ATOM 1281 N3 DT C 17 12.822 19.181 1.325 1.00 1.00 N ATOM 1282 C4 DT C 17 13.107 19.459 2.639 1.00 1.00 C ATOM 1283 O4 DT C 17 13.218 18.517 3.424 1.00 1.00 O ATOM 1284 C5 DT C 17 13.269 20.881 2.935 1.00 1.00 C ATOM 1285 C7 DT C 17 13.545 21.338 4.354 1.00 1.00 C ATOM 1286 C6 DT C 17 13.179 21.806 1.947 1.00 1.00 C ATOM 0 H5' DT C 17 15.933 24.854 -1.094 1.00 1.00 H new ATOM 0 H5'' DT C 17 14.884 26.136 -1.665 1.00 1.00 H new ATOM 0 H4' DT C 17 13.999 24.121 -2.426 1.00 1.00 H new ATOM 0 H3' DT C 17 12.316 25.720 -0.680 1.00 1.00 H new ATOM 0 H2' DT C 17 12.034 23.978 0.927 1.00 1.00 H new ATOM 0 H2'' DT C 17 10.870 23.430 -0.264 1.00 1.00 H new ATOM 0 H1' DT C 17 12.413 21.913 -1.284 1.00 1.00 H new ATOM 0 H3 DT C 17 12.685 18.199 1.084 1.00 1.00 H new ATOM 0 H71 DT C 17 14.136 22.254 4.333 1.00 1.00 H new ATOM 0 H72 DT C 17 12.601 21.527 4.865 1.00 1.00 H new ATOM 0 H73 DT C 17 14.096 20.562 4.885 1.00 1.00 H new ATOM 0 H6 DT C 17 13.329 22.849 2.183 1.00 1.00 H new ATOM 1299 P DA C 18 10.197 25.306 -2.441 1.00 1.00 P ATOM 1300 OP1 DA C 18 9.947 25.677 -3.863 1.00 1.00 O ATOM 1301 OP2 DA C 18 9.957 26.333 -1.385 1.00 1.00 O ATOM 1302 O5' DA C 18 9.322 23.990 -2.091 1.00 1.00 O ATOM 1303 C5' DA C 18 9.411 22.826 -2.903 1.00 1.00 C ATOM 1304 C4' DA C 18 8.540 21.662 -2.415 1.00 1.00 C ATOM 1305 O4' DA C 18 9.173 20.922 -1.384 1.00 1.00 O ATOM 1306 C3' DA C 18 7.141 22.058 -1.919 1.00 1.00 C ATOM 1307 O3' DA C 18 6.234 21.466 -2.840 1.00 1.00 O ATOM 1308 C2' DA C 18 7.136 21.524 -0.481 1.00 1.00 C ATOM 1309 C1' DA C 18 8.173 20.410 -0.527 1.00 1.00 C ATOM 1310 N9 DA C 18 8.800 20.044 0.760 1.00 1.00 N ATOM 1311 C8 DA C 18 9.174 20.858 1.798 1.00 1.00 C ATOM 1312 N7 DA C 18 9.684 20.228 2.828 1.00 1.00 N ATOM 1313 C5 DA C 18 9.628 18.883 2.430 1.00 1.00 C ATOM 1314 C6 DA C 18 9.949 17.634 3.026 1.00 1.00 C ATOM 1315 N6 DA C 18 10.400 17.440 4.253 1.00 1.00 N ATOM 1316 N1 DA C 18 9.804 16.495 2.355 1.00 1.00 N ATOM 1317 C2 DA C 18 9.373 16.555 1.109 1.00 1.00 C ATOM 1318 N3 DA C 18 8.998 17.628 0.429 1.00 1.00 N ATOM 1319 C4 DA C 18 9.139 18.772 1.155 1.00 1.00 C ATOM 0 H5' DA C 18 10.450 22.499 -2.940 1.00 1.00 H new ATOM 0 H5'' DA C 18 9.121 23.082 -3.922 1.00 1.00 H new ATOM 0 H4' DA C 18 8.413 21.055 -3.312 1.00 1.00 H new ATOM 0 H3' DA C 18 6.863 23.111 -1.885 1.00 1.00 H new ATOM 0 H2' DA C 18 7.406 22.298 0.238 1.00 1.00 H new ATOM 0 H2'' DA C 18 6.154 21.150 -0.193 1.00 1.00 H new ATOM 0 H1' DA C 18 7.683 19.491 -0.847 1.00 1.00 H new ATOM 0 H8 DA C 18 9.058 21.931 1.769 1.00 1.00 H new ATOM 0 H61 DA C 18 10.599 16.494 4.580 1.00 1.00 H new ATOM 0 H62 DA C 18 10.549 18.236 4.873 1.00 1.00 H new ATOM 0 H2 DA C 18 9.320 15.615 0.580 1.00 1.00 H new ATOM 1331 P DT C 19 4.652 21.553 -2.698 1.00 1.00 P ATOM 1332 OP1 DT C 19 4.082 21.239 -4.024 1.00 1.00 O ATOM 1333 OP2 DT C 19 4.241 22.787 -1.997 1.00 1.00 O ATOM 1334 O5' DT C 19 4.402 20.290 -1.811 1.00 1.00 O ATOM 1335 C5' DT C 19 4.680 18.982 -2.287 1.00 1.00 C ATOM 1336 C4' DT C 19 4.102 17.969 -1.302 1.00 1.00 C ATOM 1337 O4' DT C 19 5.055 17.791 -0.270 1.00 1.00 O ATOM 1338 C3' DT C 19 2.794 18.474 -0.645 1.00 1.00 C ATOM 1339 O3' DT C 19 1.820 17.474 -0.511 1.00 1.00 O ATOM 1340 C2' DT C 19 3.264 18.875 0.736 1.00 1.00 C ATOM 1341 C1' DT C 19 4.346 17.811 0.943 1.00 1.00 C ATOM 1342 N1 DT C 19 5.285 18.046 2.064 1.00 1.00 N ATOM 1343 C2 DT C 19 5.655 16.945 2.842 1.00 1.00 C ATOM 1344 O2 DT C 19 5.311 15.787 2.605 1.00 1.00 O ATOM 1345 N3 DT C 19 6.425 17.207 3.947 1.00 1.00 N ATOM 1346 C4 DT C 19 6.781 18.455 4.402 1.00 1.00 C ATOM 1347 O4 DT C 19 7.428 18.530 5.444 1.00 1.00 O ATOM 1348 C5 DT C 19 6.340 19.568 3.558 1.00 1.00 C ATOM 1349 C7 DT C 19 6.624 21.006 3.959 1.00 1.00 C ATOM 1350 C6 DT C 19 5.662 19.323 2.408 1.00 1.00 C ATOM 0 H5' DT C 19 5.756 18.838 -2.389 1.00 1.00 H new ATOM 0 H5'' DT C 19 4.244 18.839 -3.276 1.00 1.00 H new ATOM 0 H4' DT C 19 3.882 17.049 -1.843 1.00 1.00 H new ATOM 0 H3' DT C 19 2.326 19.260 -1.238 1.00 1.00 H new ATOM 0 H2' DT C 19 3.661 19.890 0.767 1.00 1.00 H new ATOM 0 H2'' DT C 19 2.472 18.820 1.482 1.00 1.00 H new ATOM 0 H1' DT C 19 3.863 16.872 1.213 1.00 1.00 H new ATOM 0 H3 DT C 19 6.763 16.405 4.478 1.00 1.00 H new ATOM 0 H71 DT C 19 6.727 21.620 3.064 1.00 1.00 H new ATOM 0 H72 DT C 19 5.801 21.384 4.565 1.00 1.00 H new ATOM 0 H73 DT C 19 7.548 21.047 4.536 1.00 1.00 H new ATOM 0 H6 DT C 19 5.414 20.145 1.752 1.00 1.00 H new ATOM 1363 P DA C 20 0.862 17.087 -1.744 1.00 1.00 P ATOM 1364 OP1 DA C 20 1.683 17.079 -2.981 1.00 1.00 O ATOM 1365 OP2 DA C 20 -0.338 17.966 -1.691 1.00 1.00 O ATOM 1366 O5' DA C 20 0.525 15.591 -1.285 1.00 1.00 O ATOM 1367 C5' DA C 20 -0.244 15.385 -0.113 1.00 1.00 C ATOM 1368 C4' DA C 20 0.182 14.115 0.620 1.00 1.00 C ATOM 1369 O4' DA C 20 1.396 14.359 1.332 1.00 1.00 O ATOM 1370 C3' DA C 20 -0.903 13.782 1.643 1.00 1.00 C ATOM 1371 O3' DA C 20 -1.132 12.381 1.688 1.00 1.00 O ATOM 1372 C2' DA C 20 -0.306 14.396 2.906 1.00 1.00 C ATOM 1373 C1' DA C 20 1.192 14.224 2.727 1.00 1.00 C ATOM 1374 N9 DA C 20 1.921 15.292 3.448 1.00 1.00 N ATOM 1375 C8 DA C 20 1.979 16.616 3.094 1.00 1.00 C ATOM 1376 N7 DA C 20 2.619 17.386 3.931 1.00 1.00 N ATOM 1377 C5 DA C 20 3.025 16.480 4.920 1.00 1.00 C ATOM 1378 C6 DA C 20 3.778 16.596 6.111 1.00 1.00 C ATOM 1379 N6 DA C 20 4.311 17.726 6.527 1.00 1.00 N ATOM 1380 N1 DA C 20 4.023 15.543 6.896 1.00 1.00 N ATOM 1381 C2 DA C 20 3.537 14.378 6.492 1.00 1.00 C ATOM 1382 N3 DA C 20 2.821 14.099 5.408 1.00 1.00 N ATOM 1383 C4 DA C 20 2.603 15.205 4.644 1.00 1.00 C ATOM 0 H5' DA C 20 -1.300 15.318 -0.376 1.00 1.00 H new ATOM 0 H5'' DA C 20 -0.135 16.243 0.550 1.00 1.00 H new ATOM 0 H4' DA C 20 0.326 13.303 -0.092 1.00 1.00 H new ATOM 0 H3' DA C 20 -1.901 14.171 1.441 1.00 1.00 H new ATOM 0 H2' DA C 20 -0.578 15.447 3.006 1.00 1.00 H new ATOM 0 H2'' DA C 20 -0.661 13.888 3.803 1.00 1.00 H new ATOM 0 H1' DA C 20 1.551 13.271 3.116 1.00 1.00 H new ATOM 0 H8 DA C 20 1.528 16.994 2.188 1.00 1.00 H new ATOM 0 H61 DA C 20 4.845 17.749 7.396 1.00 1.00 H new ATOM 0 H62 DA C 20 4.190 18.579 5.980 1.00 1.00 H new ATOM 0 H2 DA C 20 3.753 13.537 7.134 1.00 1.00 H new ATOM 1395 P DT C 21 -2.477 11.777 2.349 1.00 1.00 P ATOM 1396 OP1 DT C 21 -2.653 10.381 1.873 1.00 1.00 O ATOM 1397 OP2 DT C 21 -3.574 12.754 2.095 1.00 1.00 O ATOM 1398 O5' DT C 21 -2.124 11.754 3.924 1.00 1.00 O ATOM 1399 C5' DT C 21 -1.138 10.851 4.408 1.00 1.00 C ATOM 1400 C4' DT C 21 -1.007 10.816 5.933 1.00 1.00 C ATOM 1401 O4' DT C 21 -0.208 11.898 6.386 1.00 1.00 O ATOM 1402 C3' DT C 21 -2.353 10.872 6.663 1.00 1.00 C ATOM 1403 O3' DT C 21 -2.340 9.891 7.684 1.00 1.00 O ATOM 1404 C2' DT C 21 -2.402 12.302 7.180 1.00 1.00 C ATOM 1405 C1' DT C 21 -0.922 12.613 7.376 1.00 1.00 C ATOM 1406 N1 DT C 21 -0.529 14.049 7.293 1.00 1.00 N ATOM 1407 C2 DT C 21 0.432 14.491 8.213 1.00 1.00 C ATOM 1408 O2 DT C 21 0.902 13.783 9.102 1.00 1.00 O ATOM 1409 N3 DT C 21 0.876 15.781 8.094 1.00 1.00 N ATOM 1410 C4 DT C 21 0.442 16.688 7.158 1.00 1.00 C ATOM 1411 O4 DT C 21 0.967 17.801 7.139 1.00 1.00 O ATOM 1412 C5 DT C 21 -0.591 16.192 6.249 1.00 1.00 C ATOM 1413 C7 DT C 21 -1.178 17.121 5.203 1.00 1.00 C ATOM 1414 C6 DT C 21 -1.032 14.908 6.330 1.00 1.00 C ATOM 0 H5' DT C 21 -0.173 11.121 3.979 1.00 1.00 H new ATOM 0 H5'' DT C 21 -1.375 9.848 4.053 1.00 1.00 H new ATOM 0 H4' DT C 21 -0.540 9.859 6.166 1.00 1.00 H new ATOM 0 H3' DT C 21 -3.235 10.655 6.060 1.00 1.00 H new ATOM 0 H2' DT C 21 -2.871 12.979 6.466 1.00 1.00 H new ATOM 0 H2'' DT C 21 -2.963 12.381 8.111 1.00 1.00 H new ATOM 0 H1' DT C 21 -0.688 12.319 8.399 1.00 1.00 H new ATOM 0 H3 DT C 21 1.587 16.094 8.755 1.00 1.00 H new ATOM 0 H71 DT C 21 -1.155 18.146 5.573 1.00 1.00 H new ATOM 0 H72 DT C 21 -0.593 17.052 4.286 1.00 1.00 H new ATOM 0 H73 DT C 21 -2.209 16.833 4.998 1.00 1.00 H new ATOM 0 H6 DT C 21 -1.781 14.555 5.637 1.00 1.00 H new ATOM 1427 P DG C 22 -3.647 9.493 8.517 1.00 1.00 P ATOM 1428 OP1 DG C 22 -3.487 8.067 8.897 1.00 1.00 O ATOM 1429 OP2 DG C 22 -4.876 9.888 7.785 1.00 1.00 O ATOM 1430 O5' DG C 22 -3.487 10.393 9.829 1.00 1.00 O ATOM 1431 C5' DG C 22 -2.471 10.102 10.774 1.00 1.00 C ATOM 1432 C4' DG C 22 -2.304 11.186 11.842 1.00 1.00 C ATOM 1433 O4' DG C 22 -1.656 12.329 11.293 1.00 1.00 O ATOM 1434 C3' DG C 22 -3.624 11.639 12.498 1.00 1.00 C ATOM 1435 O3' DG C 22 -3.510 11.471 13.910 1.00 1.00 O ATOM 1436 C2' DG C 22 -3.714 13.090 12.025 1.00 1.00 C ATOM 1437 C1' DG C 22 -2.244 13.461 11.895 1.00 1.00 C ATOM 1438 N9 DG C 22 -2.015 14.672 11.091 1.00 1.00 N ATOM 1439 C8 DG C 22 -2.556 14.984 9.875 1.00 1.00 C ATOM 1440 N7 DG C 22 -2.179 16.146 9.402 1.00 1.00 N ATOM 1441 C5 DG C 22 -1.323 16.641 10.397 1.00 1.00 C ATOM 1442 C6 DG C 22 -0.573 17.869 10.500 1.00 1.00 C ATOM 1443 O6 DG C 22 -0.461 18.786 9.687 1.00 1.00 O ATOM 1444 N1 DG C 22 0.105 18.006 11.692 1.00 1.00 N ATOM 1445 C2 DG C 22 0.102 17.067 12.665 1.00 1.00 C ATOM 1446 N2 DG C 22 0.797 17.331 13.739 1.00 1.00 N ATOM 1447 N3 DG C 22 -0.538 15.905 12.611 1.00 1.00 N ATOM 1448 C4 DG C 22 -1.241 15.750 11.447 1.00 1.00 C ATOM 0 H5' DG C 22 -1.525 9.970 10.250 1.00 1.00 H new ATOM 0 H5'' DG C 22 -2.700 9.154 11.262 1.00 1.00 H new ATOM 0 H4' DG C 22 -1.699 10.725 12.623 1.00 1.00 H new ATOM 0 H3' DG C 22 -4.526 11.086 12.236 1.00 1.00 H new ATOM 0 H2' DG C 22 -4.245 13.180 11.077 1.00 1.00 H new ATOM 0 H2'' DG C 22 -4.235 13.724 12.743 1.00 1.00 H new ATOM 0 H1' DG C 22 -1.813 13.705 12.866 1.00 1.00 H new ATOM 0 H8 DG C 22 -3.235 14.329 9.350 1.00 1.00 H new ATOM 0 H1 DG C 22 0.638 18.862 11.849 1.00 1.00 H new ATOM 0 H21 DG C 22 0.829 16.657 14.504 1.00 1.00 H new ATOM 0 H22 DG C 22 1.307 18.211 13.813 1.00 1.00 H new ATOM 1460 P DC C 23 -4.702 11.811 14.961 1.00 1.00 P ATOM 1461 OP1 DC C 23 -4.787 10.691 15.943 1.00 1.00 O ATOM 1462 OP2 DC C 23 -5.937 12.204 14.225 1.00 1.00 O ATOM 1463 O5' DC C 23 -4.118 13.124 15.714 1.00 1.00 O ATOM 1464 C5' DC C 23 -2.917 13.048 16.482 1.00 1.00 C ATOM 1465 C4' DC C 23 -2.526 14.355 17.194 1.00 1.00 C ATOM 1466 O4' DC C 23 -2.077 15.329 16.252 1.00 1.00 O ATOM 1467 C3' DC C 23 -3.681 14.944 18.020 1.00 1.00 C ATOM 1468 O3' DC C 23 -3.217 15.347 19.308 1.00 1.00 O ATOM 1469 C2' DC C 23 -4.150 16.092 17.124 1.00 1.00 C ATOM 1470 C1' DC C 23 -2.879 16.495 16.366 1.00 1.00 C ATOM 1471 N1 DC C 23 -3.133 17.054 15.016 1.00 1.00 N ATOM 1472 C2 DC C 23 -2.562 18.277 14.631 1.00 1.00 C ATOM 1473 O2 DC C 23 -1.856 18.947 15.390 1.00 1.00 O ATOM 1474 N3 DC C 23 -2.774 18.780 13.389 1.00 1.00 N ATOM 1475 C4 DC C 23 -3.530 18.088 12.561 1.00 1.00 C ATOM 1476 N4 DC C 23 -3.659 18.595 11.368 1.00 1.00 N ATOM 1477 C5 DC C 23 -4.130 16.839 12.886 1.00 1.00 C ATOM 1478 C6 DC C 23 -3.902 16.353 14.133 1.00 1.00 C ATOM 0 H5' DC C 23 -2.100 12.749 15.825 1.00 1.00 H new ATOM 0 H5'' DC C 23 -3.029 12.262 17.229 1.00 1.00 H new ATOM 0 H4' DC C 23 -1.717 14.102 17.879 1.00 1.00 H new ATOM 0 H3' DC C 23 -4.495 14.257 18.253 1.00 1.00 H new ATOM 0 H2' DC C 23 -4.940 15.773 16.443 1.00 1.00 H new ATOM 0 H2'' DC C 23 -4.549 16.921 17.709 1.00 1.00 H new ATOM 0 H1' DC C 23 -2.389 17.292 16.925 1.00 1.00 H new ATOM 0 H41 DC C 23 -4.229 18.117 10.670 1.00 1.00 H new ATOM 0 H42 DC C 23 -3.190 19.470 11.132 1.00 1.00 H new ATOM 0 H5 DC C 23 -4.739 16.302 12.173 1.00 1.00 H new ATOM 0 H6 DC C 23 -4.331 15.407 14.428 1.00 1.00 H new ATOM 1490 P DG C 24 -4.233 15.744 20.515 1.00 1.00 P ATOM 1491 OP1 DG C 24 -3.473 15.670 21.796 1.00 1.00 O ATOM 1492 OP2 DG C 24 -5.481 14.939 20.391 1.00 1.00 O ATOM 1493 O5' DG C 24 -4.600 17.295 20.226 1.00 1.00 O ATOM 1494 C5' DG C 24 -3.634 18.323 20.411 1.00 1.00 C ATOM 1495 C4' DG C 24 -4.005 19.639 19.717 1.00 1.00 C ATOM 1496 O4' DG C 24 -3.868 19.546 18.310 1.00 1.00 O ATOM 1497 C3' DG C 24 -5.435 20.143 19.972 1.00 1.00 C ATOM 1498 O3' DG C 24 -5.535 21.008 21.105 1.00 1.00 O ATOM 1499 C2' DG C 24 -5.769 20.903 18.688 1.00 1.00 C ATOM 1500 C1' DG C 24 -4.570 20.645 17.766 1.00 1.00 C ATOM 1501 N9 DG C 24 -4.977 20.386 16.374 1.00 1.00 N ATOM 1502 C8 DG C 24 -5.772 19.378 15.905 1.00 1.00 C ATOM 1503 N7 DG C 24 -6.046 19.457 14.627 1.00 1.00 N ATOM 1504 C5 DG C 24 -5.385 20.631 14.223 1.00 1.00 C ATOM 1505 C6 DG C 24 -5.308 21.315 12.953 1.00 1.00 C ATOM 1506 O6 DG C 24 -5.808 21.024 11.865 1.00 1.00 O ATOM 1507 N1 DG C 24 -4.571 22.482 12.998 1.00 1.00 N ATOM 1508 C2 DG C 24 -3.964 22.947 14.115 1.00 1.00 C ATOM 1509 N2 DG C 24 -3.309 24.068 14.012 1.00 1.00 N ATOM 1510 N3 DG C 24 -3.998 22.356 15.302 1.00 1.00 N ATOM 1511 C4 DG C 24 -4.725 21.197 15.294 1.00 1.00 C ATOM 0 H5' DG C 24 -2.672 17.980 20.032 1.00 1.00 H new ATOM 0 H5'' DG C 24 -3.509 18.506 21.478 1.00 1.00 H new ATOM 0 H4' DG C 24 -3.304 20.346 20.161 1.00 1.00 H new ATOM 0 H3' DG C 24 -6.115 19.322 20.198 1.00 1.00 H new ATOM 0 H2' DG C 24 -6.697 20.542 18.243 1.00 1.00 H new ATOM 0 H2'' DG C 24 -5.900 21.968 18.880 1.00 1.00 H new ATOM 0 HO3' DG C 24 -6.465 21.297 21.215 1.00 1.00 H new ATOM 0 H1' DG C 24 -3.937 21.531 17.720 1.00 1.00 H new ATOM 0 H8 DG C 24 -6.143 18.583 16.535 1.00 1.00 H new ATOM 0 H1 DG C 24 -4.479 23.025 12.140 1.00 1.00 H new ATOM 0 H21 DG C 24 -2.835 24.458 14.826 1.00 1.00 H new ATOM 0 H22 DG C 24 -3.270 24.555 13.117 1.00 1.00 H new TER 1524 DG C 24