USER MOD reduce.3.24.130724 H: found=0, std=0, add=492, rem=0, adj=11 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 Set 1.1: B 108 DT C7 :methyl -30:sc= -1.03 (180deg=-4.41!) USER MOD Set 1.2: B 109 DT C7 :methyl 150:sc= -1.02 (180deg=-0.825) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.177 K(o=-0.18,f=-0.77) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= 0.478 K(o=0.48,f=-2.6!) USER MOD Single : A 24 THR OG1 : rot -130:sc= 0.0244 USER MOD Single : A 27 ASN : amide:sc= 0.79 K(o=0.79,f=-4.5!) USER MOD Single : A 33 LYS NZ :NH3+ 163:sc= 0.716 (180deg=0.544) USER MOD Single : A 34 LYS NZ :NH3+ -175:sc= 1.23 (180deg=1.16) USER MOD Single : A 38 LYS NZ :NH3+ -108:sc= 1.18 (180deg=0.0156) USER MOD Single : A 41 LYS NZ :NH3+ -150:sc= 0.97 (180deg=0.466) USER MOD Single : A 44 HIS : no HD1:sc= 0.504 K(o=0.5,f=-4.8!) USER MOD Single : A 45 GLN : amide:sc= 0.777 K(o=0.78,f=-2.8!) USER MOD Single : A 46 MET CE :methyl -161:sc= -0.0731 (180deg=-0.449) USER MOD Single : A 47 LYS NZ :NH3+ -160:sc= 1.2 (180deg=0.385) USER MOD Single : A 50 THR OG1 : rot -46:sc= 0.294 USER MOD Single : A 53 GLN : amide:sc= -0.35 K(o=-0.35,f=-1.7) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 101 DG O5' : rot 180:sc= -0.148 USER MOD Single : B 102 DT C7 :methyl 150:sc= -0.297 (180deg=-0.297) USER MOD Single : B 106 DT C7 :methyl 150:sc= -1.6 (180deg=-1.6) USER MOD Single : B 114 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 12 -10.964 -11.511 -5.004 1.00 0.00 N ATOM 2 CA ASN A 12 -11.085 -10.822 -3.704 1.00 0.00 C ATOM 3 C ASN A 12 -9.895 -9.901 -3.449 1.00 0.00 C ATOM 4 O ASN A 12 -8.775 -10.220 -3.843 1.00 0.00 O ATOM 5 CB ASN A 12 -11.229 -11.812 -2.540 1.00 0.00 C ATOM 6 CG ASN A 12 -12.482 -12.679 -2.647 1.00 0.00 C ATOM 7 OD1 ASN A 12 -12.390 -13.861 -2.970 1.00 0.00 O ATOM 8 ND2 ASN A 12 -13.651 -12.102 -2.366 1.00 0.00 N ATOM 0 HA ASN A 12 -11.993 -10.221 -3.757 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -10.350 -12.456 -2.507 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -11.255 -11.259 -1.601 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -14.513 -12.645 -2.415 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -13.683 -11.117 -2.102 1.00 0.00 H new ATOM 17 N VAL A 13 -10.149 -8.769 -2.782 1.00 0.00 N ATOM 18 CA VAL A 13 -9.157 -7.750 -2.469 1.00 0.00 C ATOM 19 C VAL A 13 -9.316 -7.264 -1.034 1.00 0.00 C ATOM 20 O VAL A 13 -10.350 -7.483 -0.411 1.00 0.00 O ATOM 21 CB VAL A 13 -9.321 -6.537 -3.403 1.00 0.00 C ATOM 22 CG1 VAL A 13 -8.973 -6.881 -4.848 1.00 0.00 C ATOM 23 CG2 VAL A 13 -10.724 -5.913 -3.357 1.00 0.00 C ATOM 0 H VAL A 13 -11.080 -8.536 -2.438 1.00 0.00 H new ATOM 0 HA VAL A 13 -8.173 -8.199 -2.602 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.616 -5.797 -3.024 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -9.102 -5.998 -5.474 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.937 -7.216 -4.903 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.631 -7.675 -5.201 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -10.767 -5.064 -4.039 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -11.463 -6.657 -3.656 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -10.939 -5.575 -2.343 1.00 0.00 H new ATOM 33 N LYS A 14 -8.271 -6.591 -0.541 1.00 0.00 N ATOM 34 CA LYS A 14 -8.206 -5.911 0.741 1.00 0.00 C ATOM 35 C LYS A 14 -7.397 -4.644 0.501 1.00 0.00 C ATOM 36 O LYS A 14 -6.186 -4.698 0.294 1.00 0.00 O ATOM 37 CB LYS A 14 -7.682 -6.766 1.908 1.00 0.00 C ATOM 38 CG LYS A 14 -7.325 -8.215 1.555 1.00 0.00 C ATOM 39 CD LYS A 14 -6.873 -9.007 2.790 1.00 0.00 C ATOM 40 CE LYS A 14 -7.996 -9.158 3.828 1.00 0.00 C ATOM 41 NZ LYS A 14 -7.620 -10.088 4.906 1.00 0.00 N ATOM 0 H LYS A 14 -7.399 -6.506 -1.064 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.214 -5.678 1.084 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.797 -6.282 2.321 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.436 -6.777 2.695 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.190 -8.704 1.106 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -6.531 -8.222 0.808 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -6.532 -9.995 2.481 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -6.021 -8.505 3.249 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -8.231 -8.183 4.254 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.900 -9.517 3.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.402 -10.164 5.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -7.420 -11.025 4.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.772 -9.732 5.391 1.00 0.00 H new ATOM 55 N CYS A 15 -8.111 -3.517 0.463 1.00 0.00 N ATOM 56 CA CYS A 15 -7.609 -2.193 0.148 1.00 0.00 C ATOM 57 C CYS A 15 -6.326 -1.858 0.916 1.00 0.00 C ATOM 58 O CYS A 15 -6.305 -1.954 2.137 1.00 0.00 O ATOM 59 CB CYS A 15 -8.732 -1.222 0.502 1.00 0.00 C ATOM 60 SG CYS A 15 -8.279 0.510 0.450 1.00 0.00 S ATOM 0 H CYS A 15 -9.111 -3.512 0.664 1.00 0.00 H new ATOM 0 HA CYS A 15 -7.338 -2.129 -0.906 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -9.563 -1.385 -0.184 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -9.094 -1.458 1.503 1.00 0.00 H new ATOM 65 N PHE A 16 -5.265 -1.433 0.217 1.00 0.00 N ATOM 66 CA PHE A 16 -4.021 -1.006 0.848 1.00 0.00 C ATOM 67 C PHE A 16 -4.252 0.204 1.758 1.00 0.00 C ATOM 68 O PHE A 16 -3.774 0.238 2.890 1.00 0.00 O ATOM 69 CB PHE A 16 -2.993 -0.645 -0.227 1.00 0.00 C ATOM 70 CG PHE A 16 -2.564 -1.775 -1.141 1.00 0.00 C ATOM 71 CD1 PHE A 16 -1.720 -2.792 -0.658 1.00 0.00 C ATOM 72 CD2 PHE A 16 -2.955 -1.777 -2.492 1.00 0.00 C ATOM 73 CE1 PHE A 16 -1.200 -3.754 -1.542 1.00 0.00 C ATOM 74 CE2 PHE A 16 -2.381 -2.696 -3.383 1.00 0.00 C ATOM 75 CZ PHE A 16 -1.508 -3.688 -2.912 1.00 0.00 C ATOM 0 H PHE A 16 -5.251 -1.378 -0.801 1.00 0.00 H new ATOM 0 HA PHE A 16 -3.648 -1.830 1.456 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.405 0.156 -0.841 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.106 -0.246 0.266 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.471 -2.834 0.392 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.695 -1.073 -2.843 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.564 -4.543 -1.169 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.612 -2.640 -4.436 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.074 -4.399 -3.600 1.00 0.00 H new ATOM 85 N ASN A 17 -4.981 1.199 1.240 1.00 0.00 N ATOM 86 CA ASN A 17 -5.238 2.483 1.878 1.00 0.00 C ATOM 87 C ASN A 17 -5.969 2.352 3.228 1.00 0.00 C ATOM 88 O ASN A 17 -5.750 3.187 4.102 1.00 0.00 O ATOM 89 CB ASN A 17 -5.990 3.360 0.857 1.00 0.00 C ATOM 90 CG ASN A 17 -6.322 4.788 1.301 1.00 0.00 C ATOM 91 OD1 ASN A 17 -5.954 5.237 2.380 1.00 0.00 O ATOM 92 ND2 ASN A 17 -7.029 5.530 0.449 1.00 0.00 N ATOM 0 H ASN A 17 -5.425 1.122 0.325 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.295 2.960 2.147 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.392 3.415 -0.052 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -6.922 2.858 0.596 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -7.273 6.490 0.690 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.326 5.137 -0.444 1.00 0.00 H new ATOM 99 N CYS A 18 -6.822 1.332 3.427 1.00 0.00 N ATOM 100 CA CYS A 18 -7.630 1.230 4.647 1.00 0.00 C ATOM 101 C CYS A 18 -7.818 -0.196 5.188 1.00 0.00 C ATOM 102 O CYS A 18 -8.059 -0.350 6.383 1.00 0.00 O ATOM 103 CB CYS A 18 -8.980 1.920 4.420 1.00 0.00 C ATOM 104 SG CYS A 18 -10.238 0.917 3.586 1.00 0.00 S ATOM 0 H CYS A 18 -6.967 0.573 2.761 1.00 0.00 H new ATOM 0 HA CYS A 18 -7.067 1.739 5.429 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -9.374 2.236 5.386 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.813 2.823 3.833 1.00 0.00 H new ATOM 109 N GLY A 19 -7.744 -1.227 4.336 1.00 0.00 N ATOM 110 CA GLY A 19 -7.898 -2.630 4.714 1.00 0.00 C ATOM 111 C GLY A 19 -9.208 -3.204 4.187 1.00 0.00 C ATOM 112 O GLY A 19 -9.218 -4.306 3.641 1.00 0.00 O ATOM 0 H GLY A 19 -7.571 -1.100 3.339 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.061 -3.208 4.322 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -7.869 -2.722 5.800 1.00 0.00 H new ATOM 116 N LYS A 20 -10.307 -2.457 4.355 1.00 0.00 N ATOM 117 CA LYS A 20 -11.650 -2.906 4.008 1.00 0.00 C ATOM 118 C LYS A 20 -11.734 -3.351 2.548 1.00 0.00 C ATOM 119 O LYS A 20 -11.215 -2.689 1.649 1.00 0.00 O ATOM 120 CB LYS A 20 -12.689 -1.826 4.323 1.00 0.00 C ATOM 121 CG LYS A 20 -12.795 -1.587 5.833 1.00 0.00 C ATOM 122 CD LYS A 20 -13.896 -0.567 6.143 1.00 0.00 C ATOM 123 CE LYS A 20 -14.015 -0.363 7.657 1.00 0.00 C ATOM 124 NZ LYS A 20 -15.091 0.587 7.994 1.00 0.00 N ATOM 0 H LYS A 20 -10.282 -1.513 4.741 1.00 0.00 H new ATOM 0 HA LYS A 20 -11.876 -3.776 4.624 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.416 -0.897 3.823 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -13.660 -2.126 3.930 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.010 -2.527 6.341 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.840 -1.228 6.217 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -13.670 0.382 5.657 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -14.847 -0.913 5.739 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -14.210 -1.321 8.139 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.068 0.005 8.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -15.143 0.701 9.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -14.892 1.508 7.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -15.999 0.223 7.640 1.00 0.00 H new ATOM 138 N GLU A 21 -12.392 -4.493 2.340 1.00 0.00 N ATOM 139 CA GLU A 21 -12.515 -5.181 1.075 1.00 0.00 C ATOM 140 C GLU A 21 -13.563 -4.514 0.183 1.00 0.00 C ATOM 141 O GLU A 21 -13.977 -3.378 0.416 1.00 0.00 O ATOM 142 CB GLU A 21 -12.873 -6.652 1.352 1.00 0.00 C ATOM 143 CG GLU A 21 -11.928 -7.367 2.334 1.00 0.00 C ATOM 144 CD GLU A 21 -12.011 -6.960 3.805 1.00 0.00 C ATOM 145 OE1 GLU A 21 -13.086 -6.465 4.210 1.00 0.00 O ATOM 146 OE2 GLU A 21 -10.990 -7.153 4.499 1.00 0.00 O ATOM 0 H GLU A 21 -12.875 -4.980 3.095 1.00 0.00 H new ATOM 0 HA GLU A 21 -11.568 -5.131 0.538 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -13.888 -6.697 1.747 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -12.874 -7.196 0.408 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -12.120 -8.438 2.268 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.904 -7.205 1.996 1.00 0.00 H new ATOM 153 N GLY A 22 -13.977 -5.243 -0.856 1.00 0.00 N ATOM 154 CA GLY A 22 -14.902 -4.796 -1.888 1.00 0.00 C ATOM 155 C GLY A 22 -14.202 -3.875 -2.887 1.00 0.00 C ATOM 156 O GLY A 22 -14.172 -4.152 -4.086 1.00 0.00 O ATOM 0 H GLY A 22 -13.660 -6.201 -1.003 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -15.315 -5.659 -2.410 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -15.740 -4.271 -1.429 1.00 0.00 H new ATOM 160 N HIS A 23 -13.636 -2.780 -2.370 1.00 0.00 N ATOM 161 CA HIS A 23 -12.891 -1.787 -3.113 1.00 0.00 C ATOM 162 C HIS A 23 -11.392 -1.996 -2.926 1.00 0.00 C ATOM 163 O HIS A 23 -10.955 -2.779 -2.082 1.00 0.00 O ATOM 164 CB HIS A 23 -13.295 -0.391 -2.631 1.00 0.00 C ATOM 165 CG HIS A 23 -13.077 -0.146 -1.163 1.00 0.00 C ATOM 166 ND1 HIS A 23 -14.007 -0.436 -0.177 1.00 0.00 N ATOM 167 CD2 HIS A 23 -11.991 0.358 -0.498 1.00 0.00 C ATOM 168 CE1 HIS A 23 -13.445 -0.113 1.002 1.00 0.00 C ATOM 169 NE2 HIS A 23 -12.212 0.390 0.874 1.00 0.00 N ATOM 0 H HIS A 23 -13.694 -2.562 -1.375 1.00 0.00 H new ATOM 0 HA HIS A 23 -13.119 -1.886 -4.174 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -12.732 0.351 -3.197 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -14.349 -0.233 -2.859 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -11.081 0.688 -0.977 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -13.938 -0.246 1.953 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -11.584 0.718 1.608 1.00 0.00 H new ATOM 177 N THR A 24 -10.620 -1.246 -3.714 1.00 0.00 N ATOM 178 CA THR A 24 -9.169 -1.186 -3.652 1.00 0.00 C ATOM 179 C THR A 24 -8.749 0.246 -3.314 1.00 0.00 C ATOM 180 O THR A 24 -9.593 1.110 -3.075 1.00 0.00 O ATOM 181 CB THR A 24 -8.579 -1.654 -4.987 1.00 0.00 C ATOM 182 OG1 THR A 24 -9.101 -0.899 -6.058 1.00 0.00 O ATOM 183 CG2 THR A 24 -8.923 -3.120 -5.190 1.00 0.00 C ATOM 0 H THR A 24 -11.009 -0.643 -4.439 1.00 0.00 H new ATOM 0 HA THR A 24 -8.788 -1.848 -2.874 1.00 0.00 H new ATOM 0 HB THR A 24 -7.498 -1.517 -4.963 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.425 -1.504 -6.758 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.508 -3.463 -6.138 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.502 -3.709 -4.375 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.006 -3.241 -5.203 1.00 0.00 H new ATOM 191 N ALA A 25 -7.436 0.493 -3.301 1.00 0.00 N ATOM 192 CA ALA A 25 -6.839 1.788 -3.013 1.00 0.00 C ATOM 193 C ALA A 25 -7.445 2.923 -3.846 1.00 0.00 C ATOM 194 O ALA A 25 -7.667 4.008 -3.313 1.00 0.00 O ATOM 195 CB ALA A 25 -5.330 1.689 -3.244 1.00 0.00 C ATOM 0 H ALA A 25 -6.743 -0.229 -3.497 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.050 2.038 -1.973 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.866 2.652 -3.033 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.910 0.931 -2.583 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.138 1.413 -4.281 1.00 0.00 H new ATOM 201 N ARG A 26 -7.716 2.683 -5.137 1.00 0.00 N ATOM 202 CA ARG A 26 -8.216 3.709 -6.042 1.00 0.00 C ATOM 203 C ARG A 26 -9.613 4.188 -5.640 1.00 0.00 C ATOM 204 O ARG A 26 -9.854 5.391 -5.585 1.00 0.00 O ATOM 205 CB ARG A 26 -8.158 3.218 -7.495 1.00 0.00 C ATOM 206 CG ARG A 26 -9.196 2.153 -7.849 1.00 0.00 C ATOM 207 CD ARG A 26 -9.054 1.655 -9.289 1.00 0.00 C ATOM 208 NE ARG A 26 -9.120 2.739 -10.282 1.00 0.00 N ATOM 209 CZ ARG A 26 -10.198 3.487 -10.585 1.00 0.00 C ATOM 210 NH1 ARG A 26 -11.374 3.305 -9.969 1.00 0.00 N ATOM 211 NH2 ARG A 26 -10.102 4.440 -11.521 1.00 0.00 N ATOM 0 H ARG A 26 -7.592 1.771 -5.576 1.00 0.00 H new ATOM 0 HA ARG A 26 -7.565 4.580 -5.965 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -8.292 4.072 -8.159 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -7.164 2.816 -7.689 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -9.096 1.311 -7.165 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.196 2.563 -7.706 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -8.104 1.131 -9.394 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -9.842 0.931 -9.497 1.00 0.00 H new ATOM 0 HE ARG A 26 -8.262 2.945 -10.793 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -11.468 2.586 -9.252 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -12.175 3.885 -10.217 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -9.215 4.596 -12.001 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -10.915 5.009 -11.754 1.00 0.00 H new ATOM 225 N ASN A 27 -10.521 3.249 -5.338 1.00 0.00 N ATOM 226 CA ASN A 27 -11.875 3.565 -4.906 1.00 0.00 C ATOM 227 C ASN A 27 -11.888 4.093 -3.471 1.00 0.00 C ATOM 228 O ASN A 27 -12.869 4.702 -3.051 1.00 0.00 O ATOM 229 CB ASN A 27 -12.805 2.350 -5.059 1.00 0.00 C ATOM 230 CG ASN A 27 -13.361 2.214 -6.475 1.00 0.00 C ATOM 231 OD1 ASN A 27 -12.638 2.362 -7.457 1.00 0.00 O ATOM 232 ND2 ASN A 27 -14.661 1.940 -6.586 1.00 0.00 N ATOM 0 H ASN A 27 -10.329 2.249 -5.389 1.00 0.00 H new ATOM 0 HA ASN A 27 -12.253 4.356 -5.554 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -12.259 1.443 -4.798 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -13.632 2.438 -4.354 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -15.086 1.847 -7.509 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -15.231 1.824 -5.748 1.00 0.00 H new ATOM 239 N CYS A 28 -10.812 3.861 -2.709 1.00 0.00 N ATOM 240 CA CYS A 28 -10.711 4.326 -1.341 1.00 0.00 C ATOM 241 C CYS A 28 -10.330 5.802 -1.305 1.00 0.00 C ATOM 242 O CYS A 28 -9.150 6.138 -1.393 1.00 0.00 O ATOM 243 CB CYS A 28 -9.685 3.493 -0.586 1.00 0.00 C ATOM 244 SG CYS A 28 -9.865 3.627 1.204 1.00 0.00 S ATOM 0 H CYS A 28 -9.994 3.345 -3.033 1.00 0.00 H new ATOM 0 HA CYS A 28 -11.682 4.213 -0.858 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -9.783 2.448 -0.880 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -8.682 3.812 -0.872 1.00 0.00 H new ATOM 249 N ARG A 29 -11.319 6.685 -1.136 1.00 0.00 N ATOM 250 CA ARG A 29 -11.073 8.111 -0.984 1.00 0.00 C ATOM 251 C ARG A 29 -10.794 8.423 0.491 1.00 0.00 C ATOM 252 O ARG A 29 -11.513 9.202 1.113 1.00 0.00 O ATOM 253 CB ARG A 29 -12.244 8.918 -1.565 1.00 0.00 C ATOM 254 CG ARG A 29 -12.640 8.410 -2.960 1.00 0.00 C ATOM 255 CD ARG A 29 -13.393 9.484 -3.750 1.00 0.00 C ATOM 256 NE ARG A 29 -12.458 10.470 -4.306 1.00 0.00 N ATOM 257 CZ ARG A 29 -12.777 11.685 -4.776 1.00 0.00 C ATOM 258 NH1 ARG A 29 -14.044 12.123 -4.760 1.00 0.00 N ATOM 259 NH2 ARG A 29 -11.807 12.464 -5.269 1.00 0.00 N ATOM 0 H ARG A 29 -12.305 6.427 -1.102 1.00 0.00 H new ATOM 0 HA ARG A 29 -10.189 8.407 -1.549 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -13.101 8.851 -0.895 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -11.968 9.971 -1.625 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -11.746 8.112 -3.508 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -13.265 7.522 -2.862 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -13.961 9.019 -4.556 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -14.112 9.983 -3.101 1.00 0.00 H new ATOM 0 HE ARG A 29 -11.473 10.206 -4.338 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -14.784 11.529 -4.386 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -14.268 13.050 -5.122 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.843 12.131 -5.283 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -12.032 13.391 -5.631 1.00 0.00 H new ATOM 273 N ALA A 30 -9.743 7.795 1.037 1.00 0.00 N ATOM 274 CA ALA A 30 -9.283 7.950 2.415 1.00 0.00 C ATOM 275 C ALA A 30 -7.823 8.422 2.418 1.00 0.00 C ATOM 276 O ALA A 30 -7.155 8.304 1.390 1.00 0.00 O ATOM 277 CB ALA A 30 -9.434 6.619 3.160 1.00 0.00 C ATOM 0 H ALA A 30 -9.170 7.140 0.505 1.00 0.00 H new ATOM 0 HA ALA A 30 -9.888 8.699 2.926 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -9.090 6.736 4.188 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -10.482 6.319 3.160 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.837 5.854 2.663 1.00 0.00 H new ATOM 283 N PRO A 31 -7.313 8.951 3.547 1.00 0.00 N ATOM 284 CA PRO A 31 -5.931 9.394 3.689 1.00 0.00 C ATOM 285 C PRO A 31 -4.941 8.254 3.420 1.00 0.00 C ATOM 286 O PRO A 31 -4.729 7.396 4.275 1.00 0.00 O ATOM 287 CB PRO A 31 -5.809 9.943 5.119 1.00 0.00 C ATOM 288 CG PRO A 31 -7.242 10.337 5.466 1.00 0.00 C ATOM 289 CD PRO A 31 -8.057 9.257 4.759 1.00 0.00 C ATOM 0 HA PRO A 31 -5.683 10.162 2.957 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.420 9.192 5.807 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.134 10.798 5.166 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -7.414 10.337 6.542 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.488 11.335 5.104 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -8.168 8.373 5.387 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -9.061 9.611 4.526 1.00 0.00 H new ATOM 297 N ARG A 32 -4.347 8.247 2.221 1.00 0.00 N ATOM 298 CA ARG A 32 -3.434 7.203 1.775 1.00 0.00 C ATOM 299 C ARG A 32 -1.981 7.544 2.101 1.00 0.00 C ATOM 300 O ARG A 32 -1.667 8.614 2.620 1.00 0.00 O ATOM 301 CB ARG A 32 -3.658 6.909 0.281 1.00 0.00 C ATOM 302 CG ARG A 32 -3.257 8.055 -0.653 1.00 0.00 C ATOM 303 CD ARG A 32 -3.736 7.760 -2.081 1.00 0.00 C ATOM 304 NE ARG A 32 -3.656 8.950 -2.939 1.00 0.00 N ATOM 305 CZ ARG A 32 -4.505 9.993 -2.891 1.00 0.00 C ATOM 306 NH1 ARG A 32 -5.538 9.999 -2.035 1.00 0.00 N ATOM 307 NH2 ARG A 32 -4.326 11.045 -3.701 1.00 0.00 N ATOM 0 H ARG A 32 -4.493 8.980 1.527 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.653 6.288 2.326 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.091 6.019 0.009 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -4.711 6.678 0.122 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.691 8.991 -0.301 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -2.174 8.182 -0.643 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -3.131 6.961 -2.510 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.765 7.401 -2.053 1.00 0.00 H new ATOM 0 HE ARG A 32 -2.900 8.988 -3.623 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.687 9.207 -1.410 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.174 10.796 -2.009 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -3.545 11.057 -4.356 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -4.971 11.834 -3.662 1.00 0.00 H new ATOM 321 N LYS A 33 -1.098 6.603 1.766 1.00 0.00 N ATOM 322 CA LYS A 33 0.335 6.656 1.950 1.00 0.00 C ATOM 323 C LYS A 33 0.921 7.292 0.688 1.00 0.00 C ATOM 324 O LYS A 33 0.371 7.140 -0.401 1.00 0.00 O ATOM 325 CB LYS A 33 0.782 5.194 2.141 1.00 0.00 C ATOM 326 CG LYS A 33 2.259 4.854 1.918 1.00 0.00 C ATOM 327 CD LYS A 33 3.152 4.885 3.164 1.00 0.00 C ATOM 328 CE LYS A 33 3.289 6.275 3.780 1.00 0.00 C ATOM 329 NZ LYS A 33 4.307 6.287 4.847 1.00 0.00 N ATOM 0 H LYS A 33 -1.394 5.729 1.331 1.00 0.00 H new ATOM 0 HA LYS A 33 0.664 7.245 2.806 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.521 4.896 3.157 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.192 4.574 1.466 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.320 3.859 1.477 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.666 5.552 1.187 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.744 4.204 3.911 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.142 4.514 2.901 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.561 6.993 3.006 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.329 6.592 4.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.588 7.268 5.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.913 5.856 5.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.139 5.745 4.539 1.00 0.00 H new ATOM 343 N LYS A 34 2.054 7.981 0.836 1.00 0.00 N ATOM 344 CA LYS A 34 2.798 8.565 -0.270 1.00 0.00 C ATOM 345 C LYS A 34 3.797 7.522 -0.778 1.00 0.00 C ATOM 346 O LYS A 34 3.810 7.203 -1.964 1.00 0.00 O ATOM 347 CB LYS A 34 3.525 9.819 0.236 1.00 0.00 C ATOM 348 CG LYS A 34 4.209 10.603 -0.894 1.00 0.00 C ATOM 349 CD LYS A 34 5.410 11.407 -0.379 1.00 0.00 C ATOM 350 CE LYS A 34 5.042 12.385 0.744 1.00 0.00 C ATOM 351 NZ LYS A 34 6.238 13.072 1.263 1.00 0.00 N ATOM 0 H LYS A 34 2.484 8.149 1.746 1.00 0.00 H new ATOM 0 HA LYS A 34 2.135 8.851 -1.087 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.811 10.468 0.743 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.272 9.528 0.975 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.539 9.911 -1.669 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.489 11.279 -1.356 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.173 10.718 -0.017 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.850 11.963 -1.207 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.330 13.121 0.371 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.549 11.846 1.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.973 13.663 2.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.941 12.367 1.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.645 13.672 0.517 1.00 0.00 H new ATOM 365 N GLY A 35 4.625 7.002 0.135 1.00 0.00 N ATOM 366 CA GLY A 35 5.699 6.068 -0.146 1.00 0.00 C ATOM 367 C GLY A 35 5.239 4.612 -0.197 1.00 0.00 C ATOM 368 O GLY A 35 4.096 4.314 -0.539 1.00 0.00 O ATOM 0 H GLY A 35 4.555 7.235 1.126 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.158 6.330 -1.099 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.470 6.171 0.618 1.00 0.00 H new ATOM 372 N CYS A 36 6.155 3.705 0.163 1.00 0.00 N ATOM 373 CA CYS A 36 5.942 2.268 0.159 1.00 0.00 C ATOM 374 C CYS A 36 4.794 1.887 1.083 1.00 0.00 C ATOM 375 O CYS A 36 4.835 2.216 2.263 1.00 0.00 O ATOM 376 CB CYS A 36 7.205 1.544 0.630 1.00 0.00 C ATOM 377 SG CYS A 36 7.197 -0.204 0.220 1.00 0.00 S ATOM 0 H CYS A 36 7.091 3.967 0.473 1.00 0.00 H new ATOM 0 HA CYS A 36 5.700 1.972 -0.862 1.00 0.00 H new ATOM 0 HB2 CYS A 36 8.078 2.015 0.178 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.303 1.659 1.709 1.00 0.00 H new ATOM 382 N TRP A 37 3.790 1.166 0.580 1.00 0.00 N ATOM 383 CA TRP A 37 2.684 0.689 1.376 1.00 0.00 C ATOM 384 C TRP A 37 3.154 -0.318 2.425 1.00 0.00 C ATOM 385 O TRP A 37 2.736 -0.252 3.579 1.00 0.00 O ATOM 386 CB TRP A 37 1.680 0.061 0.402 1.00 0.00 C ATOM 387 CG TRP A 37 0.618 0.939 -0.181 1.00 0.00 C ATOM 388 CD1 TRP A 37 0.095 2.025 0.415 1.00 0.00 C ATOM 389 CD2 TRP A 37 -0.056 0.842 -1.472 1.00 0.00 C ATOM 390 NE1 TRP A 37 -0.819 2.639 -0.412 1.00 0.00 N ATOM 391 CE2 TRP A 37 -0.956 1.943 -1.595 1.00 0.00 C ATOM 392 CE3 TRP A 37 0.010 -0.054 -2.560 1.00 0.00 C ATOM 393 CZ2 TRP A 37 -1.739 2.151 -2.739 1.00 0.00 C ATOM 394 CZ3 TRP A 37 -0.763 0.151 -3.717 1.00 0.00 C ATOM 395 CH2 TRP A 37 -1.635 1.249 -3.811 1.00 0.00 C ATOM 0 H TRP A 37 3.732 0.900 -0.403 1.00 0.00 H new ATOM 0 HA TRP A 37 2.221 1.506 1.929 1.00 0.00 H new ATOM 0 HB2 TRP A 37 2.244 -0.373 -0.424 1.00 0.00 H new ATOM 0 HB3 TRP A 37 1.186 -0.762 0.918 1.00 0.00 H new ATOM 0 HD1 TRP A 37 0.356 2.368 1.405 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -1.326 3.493 -0.181 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.665 -0.911 -2.503 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -2.413 2.993 -2.795 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.686 -0.542 -4.541 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -2.223 1.399 -4.704 1.00 0.00 H new ATOM 406 N LYS A 38 4.017 -1.249 2.014 1.00 0.00 N ATOM 407 CA LYS A 38 4.483 -2.344 2.847 1.00 0.00 C ATOM 408 C LYS A 38 5.473 -1.844 3.902 1.00 0.00 C ATOM 409 O LYS A 38 5.108 -1.730 5.070 1.00 0.00 O ATOM 410 CB LYS A 38 5.039 -3.443 1.933 1.00 0.00 C ATOM 411 CG LYS A 38 5.730 -4.606 2.657 1.00 0.00 C ATOM 412 CD LYS A 38 4.838 -5.249 3.729 1.00 0.00 C ATOM 413 CE LYS A 38 5.499 -6.492 4.336 1.00 0.00 C ATOM 414 NZ LYS A 38 5.510 -7.632 3.401 1.00 0.00 N ATOM 0 H LYS A 38 4.415 -1.258 1.075 1.00 0.00 H new ATOM 0 HA LYS A 38 3.663 -2.778 3.419 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.221 -3.843 1.334 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.750 -2.993 1.241 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.018 -5.363 1.928 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.648 -4.246 3.122 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.632 -4.524 4.516 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.879 -5.523 3.290 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.522 -6.252 4.625 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.969 -6.776 5.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.826 -8.348 3.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.250 -7.303 2.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.462 -8.050 3.374 1.00 0.00 H new ATOM 428 N CYS A 39 6.722 -1.568 3.505 1.00 0.00 N ATOM 429 CA CYS A 39 7.750 -1.144 4.468 1.00 0.00 C ATOM 430 C CYS A 39 7.417 0.231 5.069 1.00 0.00 C ATOM 431 O CYS A 39 7.611 0.403 6.270 1.00 0.00 O ATOM 432 CB CYS A 39 9.189 -1.200 3.923 1.00 0.00 C ATOM 433 SG CYS A 39 9.594 0.107 2.764 1.00 0.00 S ATOM 0 H CYS A 39 7.043 -1.629 2.539 1.00 0.00 H new ATOM 0 HA CYS A 39 7.725 -1.883 5.269 1.00 0.00 H new ATOM 0 HB2 CYS A 39 9.884 -1.154 4.761 1.00 0.00 H new ATOM 0 HB3 CYS A 39 9.342 -2.162 3.435 1.00 0.00 H new ATOM 438 N GLY A 40 6.920 1.196 4.269 1.00 0.00 N ATOM 439 CA GLY A 40 6.475 2.491 4.793 1.00 0.00 C ATOM 440 C GLY A 40 7.303 3.681 4.302 1.00 0.00 C ATOM 441 O GLY A 40 6.826 4.815 4.350 1.00 0.00 O ATOM 0 H GLY A 40 6.819 1.097 3.259 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.433 2.646 4.512 1.00 0.00 H new ATOM 0 HA3 GLY A 40 6.510 2.462 5.882 1.00 0.00 H new ATOM 445 N LYS A 41 8.539 3.431 3.857 1.00 0.00 N ATOM 446 CA LYS A 41 9.498 4.457 3.467 1.00 0.00 C ATOM 447 C LYS A 41 9.214 4.966 2.059 1.00 0.00 C ATOM 448 O LYS A 41 8.779 4.205 1.200 1.00 0.00 O ATOM 449 CB LYS A 41 10.908 3.868 3.546 1.00 0.00 C ATOM 450 CG LYS A 41 11.328 3.582 4.994 1.00 0.00 C ATOM 451 CD LYS A 41 12.148 2.294 5.025 1.00 0.00 C ATOM 452 CE LYS A 41 12.609 1.892 6.424 1.00 0.00 C ATOM 453 NZ LYS A 41 13.368 0.629 6.363 1.00 0.00 N ATOM 0 H LYS A 41 8.904 2.484 3.757 1.00 0.00 H new ATOM 0 HA LYS A 41 9.411 5.305 4.146 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.949 2.945 2.967 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.617 4.561 3.092 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.915 4.412 5.387 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.448 3.484 5.630 1.00 0.00 H new ATOM 0 HD2 LYS A 41 11.553 1.485 4.602 1.00 0.00 H new ATOM 0 HD3 LYS A 41 13.022 2.415 4.385 1.00 0.00 H new ATOM 0 HE2 LYS A 41 13.231 2.679 6.851 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.747 1.776 7.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.245 0.107 7.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 13.018 0.052 5.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 14.377 0.837 6.220 1.00 0.00 H new ATOM 467 N GLU A 42 9.462 6.260 1.839 1.00 0.00 N ATOM 468 CA GLU A 42 9.165 6.952 0.593 1.00 0.00 C ATOM 469 C GLU A 42 10.357 7.002 -0.350 1.00 0.00 C ATOM 470 O GLU A 42 11.425 6.460 -0.065 1.00 0.00 O ATOM 471 CB GLU A 42 8.496 8.323 0.826 1.00 0.00 C ATOM 472 CG GLU A 42 8.251 8.687 2.296 1.00 0.00 C ATOM 473 CD GLU A 42 7.431 9.968 2.412 1.00 0.00 C ATOM 474 OE1 GLU A 42 7.998 11.042 2.114 1.00 0.00 O ATOM 475 OE2 GLU A 42 6.240 9.854 2.773 1.00 0.00 O ATOM 0 H GLU A 42 9.885 6.865 2.543 1.00 0.00 H new ATOM 0 HA GLU A 42 8.419 6.352 0.072 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.120 9.095 0.376 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.541 8.338 0.300 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.729 7.870 2.795 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.205 8.814 2.807 1.00 0.00 H new ATOM 482 N GLY A 43 10.122 7.614 -1.514 1.00 0.00 N ATOM 483 CA GLY A 43 11.072 7.671 -2.612 1.00 0.00 C ATOM 484 C GLY A 43 10.815 6.486 -3.544 1.00 0.00 C ATOM 485 O GLY A 43 10.868 6.632 -4.763 1.00 0.00 O ATOM 0 H GLY A 43 9.244 8.092 -1.717 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.965 8.610 -3.156 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.093 7.638 -2.231 1.00 0.00 H new ATOM 489 N HIS A 44 10.510 5.325 -2.948 1.00 0.00 N ATOM 490 CA HIS A 44 10.126 4.093 -3.614 1.00 0.00 C ATOM 491 C HIS A 44 8.717 3.678 -3.175 1.00 0.00 C ATOM 492 O HIS A 44 8.312 3.941 -2.042 1.00 0.00 O ATOM 493 CB HIS A 44 11.147 3.002 -3.258 1.00 0.00 C ATOM 494 CG HIS A 44 11.162 2.615 -1.797 1.00 0.00 C ATOM 495 ND1 HIS A 44 12.117 3.072 -0.899 1.00 0.00 N ATOM 496 CD2 HIS A 44 10.341 1.796 -1.061 1.00 0.00 C ATOM 497 CE1 HIS A 44 11.857 2.497 0.290 1.00 0.00 C ATOM 498 NE2 HIS A 44 10.781 1.708 0.255 1.00 0.00 N ATOM 0 H HIS A 44 10.528 5.225 -1.933 1.00 0.00 H new ATOM 0 HA HIS A 44 10.115 4.240 -4.694 1.00 0.00 H new ATOM 0 HB2 HIS A 44 10.935 2.115 -3.854 1.00 0.00 H new ATOM 0 HB3 HIS A 44 12.142 3.346 -3.541 1.00 0.00 H new ATOM 0 HD2 HIS A 44 9.471 1.289 -1.452 1.00 0.00 H new ATOM 0 HE1 HIS A 44 12.454 2.657 1.176 1.00 0.00 H new ATOM 0 HE2 HIS A 44 10.375 1.166 1.018 1.00 0.00 H new ATOM 506 N GLN A 45 7.982 3.021 -4.079 1.00 0.00 N ATOM 507 CA GLN A 45 6.671 2.435 -3.830 1.00 0.00 C ATOM 508 C GLN A 45 6.873 0.967 -3.444 1.00 0.00 C ATOM 509 O GLN A 45 7.991 0.468 -3.459 1.00 0.00 O ATOM 510 CB GLN A 45 5.796 2.559 -5.089 1.00 0.00 C ATOM 511 CG GLN A 45 5.517 4.007 -5.522 1.00 0.00 C ATOM 512 CD GLN A 45 4.510 4.719 -4.615 1.00 0.00 C ATOM 513 OE1 GLN A 45 4.689 4.779 -3.403 1.00 0.00 O ATOM 514 NE2 GLN A 45 3.442 5.266 -5.196 1.00 0.00 N ATOM 0 H GLN A 45 8.300 2.881 -5.038 1.00 0.00 H new ATOM 0 HA GLN A 45 6.163 2.958 -3.020 1.00 0.00 H new ATOM 0 HB2 GLN A 45 6.284 2.034 -5.910 1.00 0.00 H new ATOM 0 HB3 GLN A 45 4.846 2.056 -4.909 1.00 0.00 H new ATOM 0 HG2 GLN A 45 6.453 4.566 -5.526 1.00 0.00 H new ATOM 0 HG3 GLN A 45 5.141 4.008 -6.545 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.321 5.199 -6.207 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.746 5.751 -4.630 1.00 0.00 H new ATOM 523 N MET A 46 5.797 0.263 -3.088 1.00 0.00 N ATOM 524 CA MET A 46 5.841 -1.143 -2.698 1.00 0.00 C ATOM 525 C MET A 46 6.326 -2.043 -3.827 1.00 0.00 C ATOM 526 O MET A 46 7.105 -2.968 -3.593 1.00 0.00 O ATOM 527 CB MET A 46 4.499 -1.511 -2.066 1.00 0.00 C ATOM 528 CG MET A 46 4.386 -2.992 -1.704 1.00 0.00 C ATOM 529 SD MET A 46 3.915 -4.118 -3.048 1.00 0.00 S ATOM 530 CE MET A 46 2.241 -3.528 -3.412 1.00 0.00 C ATOM 0 H MET A 46 4.858 0.661 -3.063 1.00 0.00 H new ATOM 0 HA MET A 46 6.599 -1.312 -1.933 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.353 -0.912 -1.167 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.697 -1.251 -2.756 1.00 0.00 H new ATOM 0 HG2 MET A 46 5.345 -3.320 -1.304 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.655 -3.093 -0.902 1.00 0.00 H new ATOM 0 HE1 MET A 46 1.694 -4.298 -3.956 1.00 0.00 H new ATOM 0 HE2 MET A 46 1.723 -3.305 -2.479 1.00 0.00 H new ATOM 0 HE3 MET A 46 2.298 -2.625 -4.020 1.00 0.00 H new ATOM 540 N LYS A 47 5.892 -1.735 -5.045 1.00 0.00 N ATOM 541 CA LYS A 47 6.333 -2.398 -6.262 1.00 0.00 C ATOM 542 C LYS A 47 7.844 -2.208 -6.467 1.00 0.00 C ATOM 543 O LYS A 47 8.540 -3.152 -6.836 1.00 0.00 O ATOM 544 CB LYS A 47 5.554 -1.831 -7.454 1.00 0.00 C ATOM 545 CG LYS A 47 4.027 -1.876 -7.272 1.00 0.00 C ATOM 546 CD LYS A 47 3.465 -3.281 -6.993 1.00 0.00 C ATOM 547 CE LYS A 47 3.640 -4.261 -8.161 1.00 0.00 C ATOM 548 NZ LYS A 47 3.005 -3.767 -9.395 1.00 0.00 N ATOM 0 H LYS A 47 5.207 -0.999 -5.215 1.00 0.00 H new ATOM 0 HA LYS A 47 6.139 -3.467 -6.178 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.861 -0.798 -7.619 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.821 -2.390 -8.351 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.751 -1.217 -6.449 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.554 -1.480 -8.170 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.957 -3.690 -6.111 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.404 -3.198 -6.757 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.703 -4.425 -8.341 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.209 -5.226 -7.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.843 -4.563 -10.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.096 -3.320 -9.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.627 -3.069 -9.850 1.00 0.00 H new ATOM 562 N ASP A 48 8.340 -0.988 -6.229 1.00 0.00 N ATOM 563 CA ASP A 48 9.729 -0.593 -6.436 1.00 0.00 C ATOM 564 C ASP A 48 10.665 -1.211 -5.397 1.00 0.00 C ATOM 565 O ASP A 48 11.747 -1.689 -5.730 1.00 0.00 O ATOM 566 CB ASP A 48 9.835 0.929 -6.279 1.00 0.00 C ATOM 567 CG ASP A 48 9.011 1.732 -7.276 1.00 0.00 C ATOM 568 OD1 ASP A 48 8.771 1.217 -8.389 1.00 0.00 O ATOM 569 OD2 ASP A 48 8.629 2.859 -6.893 1.00 0.00 O ATOM 0 H ASP A 48 7.762 -0.226 -5.875 1.00 0.00 H new ATOM 0 HA ASP A 48 10.020 -0.934 -7.429 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.523 1.199 -5.270 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.881 1.218 -6.377 1.00 0.00 H new ATOM 574 N CYS A 49 10.234 -1.132 -4.135 1.00 0.00 N ATOM 575 CA CYS A 49 10.931 -1.512 -2.922 1.00 0.00 C ATOM 576 C CYS A 49 11.795 -2.766 -3.042 1.00 0.00 C ATOM 577 O CYS A 49 11.384 -3.760 -3.637 1.00 0.00 O ATOM 578 CB CYS A 49 9.915 -1.697 -1.804 1.00 0.00 C ATOM 579 SG CYS A 49 10.686 -1.625 -0.182 1.00 0.00 S ATOM 0 H CYS A 49 9.305 -0.767 -3.928 1.00 0.00 H new ATOM 0 HA CYS A 49 11.626 -0.701 -2.706 1.00 0.00 H new ATOM 0 HB2 CYS A 49 9.150 -0.924 -1.877 1.00 0.00 H new ATOM 0 HB3 CYS A 49 9.412 -2.656 -1.925 1.00 0.00 H new ATOM 584 N THR A 50 12.980 -2.710 -2.427 1.00 0.00 N ATOM 585 CA THR A 50 13.942 -3.802 -2.379 1.00 0.00 C ATOM 586 C THR A 50 14.569 -3.891 -0.979 1.00 0.00 C ATOM 587 O THR A 50 15.769 -4.112 -0.833 1.00 0.00 O ATOM 588 CB THR A 50 14.949 -3.638 -3.535 1.00 0.00 C ATOM 589 OG1 THR A 50 15.827 -4.743 -3.605 1.00 0.00 O ATOM 590 CG2 THR A 50 15.760 -2.337 -3.460 1.00 0.00 C ATOM 0 H THR A 50 13.301 -1.876 -1.936 1.00 0.00 H new ATOM 0 HA THR A 50 13.458 -4.766 -2.534 1.00 0.00 H new ATOM 0 HB THR A 50 14.347 -3.589 -4.443 1.00 0.00 H new ATOM 0 HG1 THR A 50 16.163 -4.951 -2.708 1.00 0.00 H new ATOM 0 HG21 THR A 50 16.448 -2.288 -4.304 1.00 0.00 H new ATOM 0 HG22 THR A 50 15.083 -1.484 -3.494 1.00 0.00 H new ATOM 0 HG23 THR A 50 16.326 -2.314 -2.529 1.00 0.00 H new ATOM 598 N GLU A 51 13.735 -3.737 0.060 1.00 0.00 N ATOM 599 CA GLU A 51 14.122 -3.894 1.455 1.00 0.00 C ATOM 600 C GLU A 51 14.154 -5.395 1.775 1.00 0.00 C ATOM 601 O GLU A 51 15.087 -6.083 1.368 1.00 0.00 O ATOM 602 CB GLU A 51 13.170 -3.065 2.336 1.00 0.00 C ATOM 603 CG GLU A 51 13.459 -1.570 2.126 1.00 0.00 C ATOM 604 CD GLU A 51 12.763 -0.636 3.094 1.00 0.00 C ATOM 605 OE1 GLU A 51 12.431 -1.071 4.219 1.00 0.00 O ATOM 606 OE2 GLU A 51 12.622 0.535 2.690 1.00 0.00 O ATOM 0 H GLU A 51 12.751 -3.494 -0.058 1.00 0.00 H new ATOM 0 HA GLU A 51 15.121 -3.510 1.660 1.00 0.00 H new ATOM 0 HB2 GLU A 51 12.134 -3.287 2.081 1.00 0.00 H new ATOM 0 HB3 GLU A 51 13.303 -3.329 3.385 1.00 0.00 H new ATOM 0 HG2 GLU A 51 14.535 -1.410 2.202 1.00 0.00 H new ATOM 0 HG3 GLU A 51 13.167 -1.299 1.111 1.00 0.00 H new ATOM 613 N ARG A 52 13.143 -5.911 2.483 1.00 0.00 N ATOM 614 CA ARG A 52 12.993 -7.337 2.756 1.00 0.00 C ATOM 615 C ARG A 52 11.520 -7.628 3.027 1.00 0.00 C ATOM 616 O ARG A 52 11.141 -8.144 4.076 1.00 0.00 O ATOM 617 CB ARG A 52 13.939 -7.813 3.868 1.00 0.00 C ATOM 618 CG ARG A 52 13.822 -7.055 5.198 1.00 0.00 C ATOM 619 CD ARG A 52 14.714 -7.732 6.244 1.00 0.00 C ATOM 620 NE ARG A 52 14.487 -7.169 7.581 1.00 0.00 N ATOM 621 CZ ARG A 52 14.894 -7.727 8.734 1.00 0.00 C ATOM 622 NH1 ARG A 52 15.597 -8.869 8.734 1.00 0.00 N ATOM 623 NH2 ARG A 52 14.592 -7.135 9.897 1.00 0.00 N ATOM 0 H ARG A 52 12.400 -5.340 2.885 1.00 0.00 H new ATOM 0 HA ARG A 52 13.294 -7.918 1.884 1.00 0.00 H new ATOM 0 HB2 ARG A 52 13.752 -8.871 4.054 1.00 0.00 H new ATOM 0 HB3 ARG A 52 14.965 -7.729 3.510 1.00 0.00 H new ATOM 0 HG2 ARG A 52 14.121 -6.015 5.065 1.00 0.00 H new ATOM 0 HG3 ARG A 52 12.786 -7.048 5.536 1.00 0.00 H new ATOM 0 HD2 ARG A 52 14.513 -8.803 6.259 1.00 0.00 H new ATOM 0 HD3 ARG A 52 15.761 -7.608 5.968 1.00 0.00 H new ATOM 0 HE ARG A 52 13.981 -6.285 7.639 1.00 0.00 H new ATOM 0 HH11 ARG A 52 15.829 -9.325 7.852 1.00 0.00 H new ATOM 0 HH12 ARG A 52 15.900 -9.282 9.616 1.00 0.00 H new ATOM 0 HH21 ARG A 52 14.057 -6.267 9.903 1.00 0.00 H new ATOM 0 HH22 ARG A 52 14.897 -7.552 10.776 1.00 0.00 H new ATOM 637 N GLN A 53 10.691 -7.269 2.043 1.00 0.00 N ATOM 638 CA GLN A 53 9.241 -7.351 2.120 1.00 0.00 C ATOM 639 C GLN A 53 8.792 -8.799 2.310 1.00 0.00 C ATOM 640 O GLN A 53 7.928 -9.067 3.144 1.00 0.00 O ATOM 641 CB GLN A 53 8.614 -6.679 0.894 1.00 0.00 C ATOM 642 CG GLN A 53 9.017 -5.198 0.910 1.00 0.00 C ATOM 643 CD GLN A 53 8.257 -4.324 -0.081 1.00 0.00 C ATOM 644 OE1 GLN A 53 7.981 -3.168 0.235 1.00 0.00 O ATOM 645 NE2 GLN A 53 7.944 -4.837 -1.272 1.00 0.00 N ATOM 0 H GLN A 53 11.024 -6.905 1.150 1.00 0.00 H new ATOM 0 HA GLN A 53 8.888 -6.807 2.996 1.00 0.00 H new ATOM 0 HB2 GLN A 53 8.959 -7.158 -0.022 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.529 -6.779 0.917 1.00 0.00 H new ATOM 0 HG2 GLN A 53 8.863 -4.804 1.915 1.00 0.00 H new ATOM 0 HG3 GLN A 53 10.083 -5.123 0.698 1.00 0.00 H new ATOM 0 HE21 GLN A 53 8.192 -5.801 -1.493 1.00 0.00 H new ATOM 0 HE22 GLN A 53 7.457 -4.265 -1.962 1.00 0.00 H new ATOM 654 N ALA A 54 9.397 -9.727 1.559 1.00 0.00 N ATOM 655 CA ALA A 54 9.168 -11.157 1.710 1.00 0.00 C ATOM 656 C ALA A 54 10.050 -11.644 2.864 1.00 0.00 C ATOM 657 O ALA A 54 11.011 -12.381 2.655 1.00 0.00 O ATOM 658 CB ALA A 54 9.488 -11.866 0.390 1.00 0.00 C ATOM 0 H ALA A 54 10.065 -9.497 0.823 1.00 0.00 H new ATOM 0 HA ALA A 54 8.127 -11.380 1.944 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.317 -12.937 0.501 1.00 0.00 H new ATOM 0 HB2 ALA A 54 8.844 -11.476 -0.398 1.00 0.00 H new ATOM 0 HB3 ALA A 54 10.531 -11.691 0.126 1.00 0.00 H new ATOM 664 N ASN A 55 9.729 -11.184 4.080 1.00 0.00 N ATOM 665 CA ASN A 55 10.503 -11.439 5.285 1.00 0.00 C ATOM 666 C ASN A 55 10.389 -12.903 5.709 1.00 0.00 C ATOM 667 O ASN A 55 11.441 -13.471 6.074 1.00 0.00 O ATOM 668 CB ASN A 55 10.020 -10.507 6.403 1.00 0.00 C ATOM 669 CG ASN A 55 10.944 -10.555 7.617 1.00 0.00 C ATOM 670 OD1 ASN A 55 10.590 -11.107 8.655 1.00 0.00 O ATOM 671 ND2 ASN A 55 12.130 -9.955 7.496 1.00 0.00 N ATOM 672 OXT ASN A 55 9.251 -13.422 5.675 1.00 0.00 O ATOM 0 H ASN A 55 8.902 -10.611 4.249 1.00 0.00 H new ATOM 0 HA ASN A 55 11.555 -11.239 5.082 1.00 0.00 H new ATOM 0 HB2 ASN A 55 9.966 -9.485 6.027 1.00 0.00 H new ATOM 0 HB3 ASN A 55 9.011 -10.790 6.702 1.00 0.00 H new ATOM 0 HD21 ASN A 55 12.779 -9.944 8.283 1.00 0.00 H new ATOM 0 HD22 ASN A 55 12.388 -9.507 6.617 1.00 0.00 H new TER 679 ASN A 55 HETATM 680 ZN ZN A 56 -10.102 1.428 1.404 1.00 0.00 ZN HETATM 681 ZN ZN A 57 8.952 -1.192 1.166 1.00 0.00 ZN ATOM 682 O5' DG B 101 -21.743 -1.536 -2.996 1.00 0.00 O ATOM 683 C5' DG B 101 -21.937 -0.981 -4.280 1.00 0.00 C ATOM 684 C4' DG B 101 -22.540 -1.900 -5.364 1.00 0.00 C ATOM 685 O4' DG B 101 -21.607 -2.149 -6.399 1.00 0.00 O ATOM 686 C3' DG B 101 -22.995 -3.255 -4.834 1.00 0.00 C ATOM 687 O3' DG B 101 -23.953 -3.870 -5.681 1.00 0.00 O ATOM 688 C2' DG B 101 -21.633 -3.888 -4.866 1.00 0.00 C ATOM 689 C1' DG B 101 -20.852 -3.266 -5.995 1.00 0.00 C ATOM 690 N9 DG B 101 -19.465 -2.917 -5.619 1.00 0.00 N ATOM 691 C8 DG B 101 -18.779 -3.335 -4.516 1.00 0.00 C ATOM 692 N7 DG B 101 -17.579 -2.842 -4.402 1.00 0.00 N ATOM 693 C5 DG B 101 -17.446 -2.051 -5.540 1.00 0.00 C ATOM 694 C6 DG B 101 -16.351 -1.246 -5.975 1.00 0.00 C ATOM 695 O6 DG B 101 -15.277 -1.054 -5.410 1.00 0.00 O ATOM 696 N1 DG B 101 -16.599 -0.633 -7.199 1.00 0.00 N ATOM 697 C2 DG B 101 -17.758 -0.784 -7.935 1.00 0.00 C ATOM 698 N2 DG B 101 -17.803 -0.172 -9.123 1.00 0.00 N ATOM 699 N3 DG B 101 -18.797 -1.529 -7.522 1.00 0.00 N ATOM 700 C4 DG B 101 -18.583 -2.122 -6.314 1.00 0.00 C ATOM 0 H5' DG B 101 -20.974 -0.621 -4.641 1.00 0.00 H new ATOM 0 H5'' DG B 101 -22.585 -0.110 -4.177 1.00 0.00 H new ATOM 0 H4' DG B 101 -23.410 -1.356 -5.733 1.00 0.00 H new ATOM 0 H3' DG B 101 -23.519 -3.289 -3.879 1.00 0.00 H new ATOM 0 H2' DG B 101 -21.119 -3.733 -3.917 1.00 0.00 H new ATOM 0 H2'' DG B 101 -21.718 -4.965 -5.010 1.00 0.00 H new ATOM 0 HO5' DG B 101 -21.356 -0.859 -2.402 1.00 0.00 H new ATOM 0 H1' DG B 101 -20.718 -3.972 -6.815 1.00 0.00 H new ATOM 0 H8 DG B 101 -19.198 -4.021 -3.794 1.00 0.00 H new ATOM 0 H1 DG B 101 -15.872 -0.028 -7.581 1.00 0.00 H new ATOM 0 H21 DG B 101 -18.636 -0.251 -9.706 1.00 0.00 H new ATOM 0 H22 DG B 101 -17.004 0.374 -9.446 1.00 0.00 H new ATOM 713 P DT B 102 -24.968 -5.002 -5.124 1.00 0.00 P ATOM 714 OP1 DT B 102 -26.118 -5.049 -6.054 1.00 0.00 O ATOM 715 OP2 DT B 102 -25.211 -4.764 -3.684 1.00 0.00 O ATOM 716 O5' DT B 102 -24.150 -6.389 -5.269 1.00 0.00 O ATOM 717 C5' DT B 102 -24.645 -7.460 -6.052 1.00 0.00 C ATOM 718 C4' DT B 102 -23.714 -8.687 -6.146 1.00 0.00 C ATOM 719 O4' DT B 102 -23.120 -8.711 -7.429 1.00 0.00 O ATOM 720 C3' DT B 102 -22.575 -8.727 -5.116 1.00 0.00 C ATOM 721 O3' DT B 102 -22.123 -10.058 -4.928 1.00 0.00 O ATOM 722 C2' DT B 102 -21.569 -7.866 -5.871 1.00 0.00 C ATOM 723 C1' DT B 102 -21.766 -8.336 -7.311 1.00 0.00 C ATOM 724 N1 DT B 102 -21.459 -7.315 -8.342 1.00 0.00 N ATOM 725 C2 DT B 102 -20.881 -7.733 -9.543 1.00 0.00 C ATOM 726 O2 DT B 102 -20.469 -8.874 -9.735 1.00 0.00 O ATOM 727 N3 DT B 102 -20.791 -6.780 -10.547 1.00 0.00 N ATOM 728 C4 DT B 102 -21.266 -5.478 -10.476 1.00 0.00 C ATOM 729 O4 DT B 102 -21.151 -4.728 -11.442 1.00 0.00 O ATOM 730 C5 DT B 102 -21.867 -5.127 -9.202 1.00 0.00 C ATOM 731 C7 DT B 102 -22.449 -3.739 -9.030 1.00 0.00 C ATOM 732 C6 DT B 102 -21.937 -6.037 -8.194 1.00 0.00 C ATOM 0 H5' DT B 102 -24.840 -7.093 -7.060 1.00 0.00 H new ATOM 0 H5'' DT B 102 -25.602 -7.780 -5.639 1.00 0.00 H new ATOM 0 H4' DT B 102 -24.352 -9.547 -5.945 1.00 0.00 H new ATOM 0 H3' DT B 102 -22.807 -8.387 -4.107 1.00 0.00 H new ATOM 0 H2' DT B 102 -21.776 -6.802 -5.757 1.00 0.00 H new ATOM 0 H2'' DT B 102 -20.549 -8.031 -5.524 1.00 0.00 H new ATOM 0 H1' DT B 102 -21.068 -9.153 -7.494 1.00 0.00 H new ATOM 0 H3 DT B 102 -20.335 -7.061 -11.415 1.00 0.00 H new ATOM 0 H71 DT B 102 -23.276 -3.777 -8.321 1.00 0.00 H new ATOM 0 H72 DT B 102 -21.679 -3.066 -8.653 1.00 0.00 H new ATOM 0 H73 DT B 102 -22.811 -3.375 -9.991 1.00 0.00 H new ATOM 0 H6 DT B 102 -22.380 -5.747 -7.253 1.00 0.00 H new ATOM 745 P DC B 103 -20.895 -10.412 -3.936 1.00 0.00 P ATOM 746 OP1 DC B 103 -20.967 -11.853 -3.610 1.00 0.00 O ATOM 747 OP2 DC B 103 -20.868 -9.412 -2.846 1.00 0.00 O ATOM 748 O5' DC B 103 -19.604 -10.170 -4.872 1.00 0.00 O ATOM 749 C5' DC B 103 -19.224 -11.120 -5.846 1.00 0.00 C ATOM 750 C4' DC B 103 -18.136 -10.559 -6.764 1.00 0.00 C ATOM 751 O4' DC B 103 -18.597 -9.441 -7.499 1.00 0.00 O ATOM 752 C3' DC B 103 -16.853 -10.103 -6.049 1.00 0.00 C ATOM 753 O3' DC B 103 -15.841 -11.087 -6.229 1.00 0.00 O ATOM 754 C2' DC B 103 -16.542 -8.775 -6.754 1.00 0.00 C ATOM 755 C1' DC B 103 -17.433 -8.817 -7.984 1.00 0.00 C ATOM 756 N1 DC B 103 -17.680 -7.466 -8.553 1.00 0.00 N ATOM 757 C2 DC B 103 -17.265 -7.190 -9.859 1.00 0.00 C ATOM 758 O2 DC B 103 -16.656 -8.014 -10.538 1.00 0.00 O ATOM 759 N3 DC B 103 -17.535 -5.960 -10.375 1.00 0.00 N ATOM 760 C4 DC B 103 -18.131 -5.006 -9.652 1.00 0.00 C ATOM 761 N4 DC B 103 -18.357 -3.815 -10.219 1.00 0.00 N ATOM 762 C5 DC B 103 -18.495 -5.246 -8.287 1.00 0.00 C ATOM 763 C6 DC B 103 -18.261 -6.483 -7.789 1.00 0.00 C ATOM 0 H5' DC B 103 -20.093 -11.406 -6.439 1.00 0.00 H new ATOM 0 H5'' DC B 103 -18.861 -12.023 -5.356 1.00 0.00 H new ATOM 0 H4' DC B 103 -17.897 -11.407 -7.406 1.00 0.00 H new ATOM 0 H3' DC B 103 -16.935 -9.977 -4.969 1.00 0.00 H new ATOM 0 H2' DC B 103 -16.772 -7.919 -6.120 1.00 0.00 H new ATOM 0 H2'' DC B 103 -15.488 -8.699 -7.023 1.00 0.00 H new ATOM 0 H1' DC B 103 -16.990 -9.353 -8.823 1.00 0.00 H new ATOM 0 H41 DC B 103 -18.810 -3.074 -9.685 1.00 0.00 H new ATOM 0 H42 DC B 103 -18.076 -3.649 -11.185 1.00 0.00 H new ATOM 0 H5 DC B 103 -18.938 -4.471 -7.680 1.00 0.00 H new ATOM 0 H6 DC B 103 -18.537 -6.702 -6.768 1.00 0.00 H new ATOM 775 P DC B 104 -14.337 -10.898 -5.665 1.00 0.00 P ATOM 776 OP1 DC B 104 -13.710 -12.228 -5.490 1.00 0.00 O ATOM 777 OP2 DC B 104 -14.374 -9.956 -4.525 1.00 0.00 O ATOM 778 O5' DC B 104 -13.566 -10.173 -6.877 1.00 0.00 O ATOM 779 C5' DC B 104 -13.260 -10.856 -8.081 1.00 0.00 C ATOM 780 C4' DC B 104 -12.548 -9.894 -9.037 1.00 0.00 C ATOM 781 O4' DC B 104 -13.407 -8.803 -9.312 1.00 0.00 O ATOM 782 C3' DC B 104 -11.264 -9.322 -8.419 1.00 0.00 C ATOM 783 O3' DC B 104 -10.096 -9.811 -9.058 1.00 0.00 O ATOM 784 C2' DC B 104 -11.429 -7.819 -8.599 1.00 0.00 C ATOM 785 C1' DC B 104 -12.601 -7.671 -9.555 1.00 0.00 C ATOM 786 N1 DC B 104 -13.347 -6.414 -9.281 1.00 0.00 N ATOM 787 C2 DC B 104 -13.163 -5.317 -10.120 1.00 0.00 C ATOM 788 O2 DC B 104 -12.294 -5.323 -10.987 1.00 0.00 O ATOM 789 N3 DC B 104 -13.972 -4.231 -9.955 1.00 0.00 N ATOM 790 C4 DC B 104 -14.882 -4.190 -8.968 1.00 0.00 C ATOM 791 N4 DC B 104 -15.661 -3.112 -8.867 1.00 0.00 N ATOM 792 C5 DC B 104 -14.991 -5.255 -8.008 1.00 0.00 C ATOM 793 C6 DC B 104 -14.200 -6.332 -8.210 1.00 0.00 C ATOM 0 H5' DC B 104 -14.173 -11.235 -8.540 1.00 0.00 H new ATOM 0 H5'' DC B 104 -12.626 -11.718 -7.873 1.00 0.00 H new ATOM 0 H4' DC B 104 -12.293 -10.452 -9.938 1.00 0.00 H new ATOM 0 H3' DC B 104 -11.134 -9.612 -7.376 1.00 0.00 H new ATOM 0 H2' DC B 104 -11.629 -7.326 -7.648 1.00 0.00 H new ATOM 0 H2'' DC B 104 -10.525 -7.368 -9.008 1.00 0.00 H new ATOM 0 H1' DC B 104 -12.282 -7.613 -10.596 1.00 0.00 H new ATOM 0 H41 DC B 104 -16.360 -3.056 -8.126 1.00 0.00 H new ATOM 0 H42 DC B 104 -15.557 -2.344 -9.530 1.00 0.00 H new ATOM 0 H5 DC B 104 -15.669 -5.197 -7.170 1.00 0.00 H new ATOM 0 H6 DC B 104 -14.241 -7.152 -7.508 1.00 0.00 H new ATOM 805 P DC B 105 -8.629 -9.641 -8.386 1.00 0.00 P ATOM 806 OP1 DC B 105 -7.707 -10.567 -9.078 1.00 0.00 O ATOM 807 OP2 DC B 105 -8.795 -9.744 -6.917 1.00 0.00 O ATOM 808 O5' DC B 105 -8.181 -8.124 -8.739 1.00 0.00 O ATOM 809 C5' DC B 105 -7.704 -7.773 -10.028 1.00 0.00 C ATOM 810 C4' DC B 105 -7.438 -6.265 -10.159 1.00 0.00 C ATOM 811 O4' DC B 105 -8.654 -5.553 -9.983 1.00 0.00 O ATOM 812 C3' DC B 105 -6.438 -5.730 -9.114 1.00 0.00 C ATOM 813 O3' DC B 105 -5.605 -4.690 -9.616 1.00 0.00 O ATOM 814 C2' DC B 105 -7.380 -5.115 -8.086 1.00 0.00 C ATOM 815 C1' DC B 105 -8.434 -4.532 -9.031 1.00 0.00 C ATOM 816 N1 DC B 105 -9.722 -4.125 -8.401 1.00 0.00 N ATOM 817 C2 DC B 105 -10.292 -2.894 -8.745 1.00 0.00 C ATOM 818 O2 DC B 105 -9.768 -2.147 -9.569 1.00 0.00 O ATOM 819 N3 DC B 105 -11.457 -2.523 -8.139 1.00 0.00 N ATOM 820 C4 DC B 105 -12.066 -3.327 -7.252 1.00 0.00 C ATOM 821 N4 DC B 105 -13.174 -2.899 -6.642 1.00 0.00 N ATOM 822 C5 DC B 105 -11.545 -4.628 -6.950 1.00 0.00 C ATOM 823 C6 DC B 105 -10.381 -4.972 -7.549 1.00 0.00 C ATOM 0 H5' DC B 105 -8.433 -8.078 -10.779 1.00 0.00 H new ATOM 0 H5'' DC B 105 -6.785 -8.321 -10.235 1.00 0.00 H new ATOM 0 H4' DC B 105 -7.012 -6.116 -11.151 1.00 0.00 H new ATOM 0 H3' DC B 105 -5.763 -6.510 -8.762 1.00 0.00 H new ATOM 0 H2' DC B 105 -7.794 -5.855 -7.401 1.00 0.00 H new ATOM 0 H2'' DC B 105 -6.895 -4.352 -7.476 1.00 0.00 H new ATOM 0 H1' DC B 105 -8.060 -3.595 -9.444 1.00 0.00 H new ATOM 0 H41 DC B 105 -13.648 -3.498 -5.966 1.00 0.00 H new ATOM 0 H42 DC B 105 -13.547 -1.973 -6.852 1.00 0.00 H new ATOM 0 H5 DC B 105 -12.056 -5.301 -6.277 1.00 0.00 H new ATOM 0 H6 DC B 105 -9.958 -5.945 -7.349 1.00 0.00 H new ATOM 835 P DT B 106 -4.499 -4.936 -10.770 1.00 0.00 P ATOM 836 OP1 DT B 106 -5.126 -4.666 -12.083 1.00 0.00 O ATOM 837 OP2 DT B 106 -3.861 -6.247 -10.516 1.00 0.00 O ATOM 838 O5' DT B 106 -3.396 -3.790 -10.491 1.00 0.00 O ATOM 839 C5' DT B 106 -3.653 -2.405 -10.677 1.00 0.00 C ATOM 840 C4' DT B 106 -3.334 -1.649 -9.381 1.00 0.00 C ATOM 841 O4' DT B 106 -4.189 -2.142 -8.366 1.00 0.00 O ATOM 842 C3' DT B 106 -1.891 -1.848 -8.909 1.00 0.00 C ATOM 843 O3' DT B 106 -0.997 -0.853 -9.382 1.00 0.00 O ATOM 844 C2' DT B 106 -2.036 -1.816 -7.386 1.00 0.00 C ATOM 845 C1' DT B 106 -3.491 -2.240 -7.141 1.00 0.00 C ATOM 846 N1 DT B 106 -3.701 -3.611 -6.581 1.00 0.00 N ATOM 847 C2 DT B 106 -2.993 -4.717 -7.070 1.00 0.00 C ATOM 848 O2 DT B 106 -2.107 -4.651 -7.912 1.00 0.00 O ATOM 849 N3 DT B 106 -3.321 -5.954 -6.532 1.00 0.00 N ATOM 850 C4 DT B 106 -4.275 -6.194 -5.559 1.00 0.00 C ATOM 851 O4 DT B 106 -4.475 -7.337 -5.156 1.00 0.00 O ATOM 852 C5 DT B 106 -4.969 -5.002 -5.110 1.00 0.00 C ATOM 853 C7 DT B 106 -6.112 -5.118 -4.137 1.00 0.00 C ATOM 854 C6 DT B 106 -4.680 -3.787 -5.634 1.00 0.00 C ATOM 0 H5' DT B 106 -4.696 -2.251 -10.953 1.00 0.00 H new ATOM 0 H5'' DT B 106 -3.046 -2.018 -11.496 1.00 0.00 H new ATOM 0 H4' DT B 106 -3.477 -0.587 -9.578 1.00 0.00 H new ATOM 0 H3' DT B 106 -1.451 -2.769 -9.291 1.00 0.00 H new ATOM 0 H2' DT B 106 -1.335 -2.498 -6.904 1.00 0.00 H new ATOM 0 H2'' DT B 106 -1.838 -0.821 -6.987 1.00 0.00 H new ATOM 0 H1' DT B 106 -3.862 -1.565 -6.370 1.00 0.00 H new ATOM 0 H3 DT B 106 -2.810 -6.762 -6.888 1.00 0.00 H new ATOM 0 H71 DT B 106 -6.161 -4.218 -3.524 1.00 0.00 H new ATOM 0 H72 DT B 106 -7.047 -5.234 -4.686 1.00 0.00 H new ATOM 0 H73 DT B 106 -5.957 -5.986 -3.496 1.00 0.00 H new ATOM 0 H6 DT B 106 -5.239 -2.927 -5.295 1.00 0.00 H new ATOM 867 P DG B 107 0.565 -1.207 -9.609 1.00 0.00 P ATOM 868 OP1 DG B 107 0.740 -1.647 -11.010 1.00 0.00 O ATOM 869 OP2 DG B 107 0.979 -2.119 -8.521 1.00 0.00 O ATOM 870 O5' DG B 107 1.391 0.167 -9.415 1.00 0.00 O ATOM 871 C5' DG B 107 1.087 1.332 -10.155 1.00 0.00 C ATOM 872 C4' DG B 107 0.486 2.403 -9.237 1.00 0.00 C ATOM 873 O4' DG B 107 -0.197 1.846 -8.113 1.00 0.00 O ATOM 874 C3' DG B 107 1.495 3.406 -8.687 1.00 0.00 C ATOM 875 O3' DG B 107 1.809 4.411 -9.641 1.00 0.00 O ATOM 876 C2' DG B 107 0.653 3.938 -7.540 1.00 0.00 C ATOM 877 C1' DG B 107 -0.040 2.707 -6.993 1.00 0.00 C ATOM 878 N9 DG B 107 0.842 2.133 -5.956 1.00 0.00 N ATOM 879 C8 DG B 107 1.652 1.040 -6.048 1.00 0.00 C ATOM 880 N7 DG B 107 2.408 0.831 -5.006 1.00 0.00 N ATOM 881 C5 DG B 107 2.091 1.888 -4.159 1.00 0.00 C ATOM 882 C6 DG B 107 2.612 2.231 -2.875 1.00 0.00 C ATOM 883 O6 DG B 107 3.442 1.620 -2.210 1.00 0.00 O ATOM 884 N1 DG B 107 2.073 3.414 -2.377 1.00 0.00 N ATOM 885 C2 DG B 107 1.121 4.170 -3.034 1.00 0.00 C ATOM 886 N2 DG B 107 0.708 5.294 -2.445 1.00 0.00 N ATOM 887 N3 DG B 107 0.611 3.839 -4.229 1.00 0.00 N ATOM 888 C4 DG B 107 1.141 2.695 -4.739 1.00 0.00 C ATOM 0 H5' DG B 107 0.385 1.091 -10.953 1.00 0.00 H new ATOM 0 H5'' DG B 107 1.990 1.715 -10.630 1.00 0.00 H new ATOM 0 H4' DG B 107 -0.207 2.922 -9.898 1.00 0.00 H new ATOM 0 H3' DG B 107 2.474 3.012 -8.414 1.00 0.00 H new ATOM 0 H2' DG B 107 1.270 4.419 -6.781 1.00 0.00 H new ATOM 0 H2'' DG B 107 -0.066 4.681 -7.884 1.00 0.00 H new ATOM 0 H1' DG B 107 -1.011 2.894 -6.533 1.00 0.00 H new ATOM 0 H8 DG B 107 1.666 0.397 -6.916 1.00 0.00 H new ATOM 0 H1 DG B 107 2.402 3.744 -1.469 1.00 0.00 H new ATOM 0 H21 DG B 107 0.006 5.879 -2.898 1.00 0.00 H new ATOM 0 H22 DG B 107 1.094 5.568 -1.541 1.00 0.00 H new ATOM 900 P DT B 108 2.465 5.825 -9.205 1.00 0.00 P ATOM 901 OP1 DT B 108 3.129 6.401 -10.395 1.00 0.00 O ATOM 902 OP2 DT B 108 3.243 5.618 -7.964 1.00 0.00 O ATOM 903 O5' DT B 108 1.157 6.722 -8.851 1.00 0.00 O ATOM 904 C5' DT B 108 0.851 7.918 -9.551 1.00 0.00 C ATOM 905 C4' DT B 108 -0.625 8.330 -9.428 1.00 0.00 C ATOM 906 O4' DT B 108 -1.393 7.561 -10.334 1.00 0.00 O ATOM 907 C3' DT B 108 -1.259 8.172 -8.036 1.00 0.00 C ATOM 908 O3' DT B 108 -1.968 9.369 -7.744 1.00 0.00 O ATOM 909 C2' DT B 108 -2.178 6.960 -8.230 1.00 0.00 C ATOM 910 C1' DT B 108 -2.571 7.113 -9.698 1.00 0.00 C ATOM 911 N1 DT B 108 -3.063 5.929 -10.461 1.00 0.00 N ATOM 912 C2 DT B 108 -3.805 6.199 -11.613 1.00 0.00 C ATOM 913 O2 DT B 108 -4.178 7.328 -11.922 1.00 0.00 O ATOM 914 N3 DT B 108 -4.121 5.116 -12.422 1.00 0.00 N ATOM 915 C4 DT B 108 -3.773 3.795 -12.184 1.00 0.00 C ATOM 916 O4 DT B 108 -4.121 2.916 -12.968 1.00 0.00 O ATOM 917 C5 DT B 108 -3.011 3.590 -10.966 1.00 0.00 C ATOM 918 C7 DT B 108 -2.660 2.174 -10.552 1.00 0.00 C ATOM 919 C6 DT B 108 -2.677 4.638 -10.169 1.00 0.00 C ATOM 0 H5' DT B 108 1.099 7.789 -10.604 1.00 0.00 H new ATOM 0 H5'' DT B 108 1.479 8.724 -9.172 1.00 0.00 H new ATOM 0 H4' DT B 108 -0.631 9.398 -9.644 1.00 0.00 H new ATOM 0 H3' DT B 108 -0.570 8.017 -7.206 1.00 0.00 H new ATOM 0 H2' DT B 108 -1.663 6.019 -8.039 1.00 0.00 H new ATOM 0 H2'' DT B 108 -3.043 6.990 -7.568 1.00 0.00 H new ATOM 0 H1' DT B 108 -3.440 7.771 -9.697 1.00 0.00 H new ATOM 0 H3 DT B 108 -4.658 5.309 -13.268 1.00 0.00 H new ATOM 0 H71 DT B 108 -3.433 1.490 -10.903 1.00 0.00 H new ATOM 0 H72 DT B 108 -1.702 1.894 -10.989 1.00 0.00 H new ATOM 0 H73 DT B 108 -2.593 2.119 -9.465 1.00 0.00 H new ATOM 0 H6 DT B 108 -2.092 4.455 -9.280 1.00 0.00 H new ATOM 932 P DT B 109 -2.777 9.596 -6.365 1.00 0.00 P ATOM 933 OP1 DT B 109 -2.513 10.966 -5.869 1.00 0.00 O ATOM 934 OP2 DT B 109 -2.536 8.447 -5.464 1.00 0.00 O ATOM 935 O5' DT B 109 -4.314 9.538 -6.844 1.00 0.00 O ATOM 936 C5' DT B 109 -4.940 10.635 -7.490 1.00 0.00 C ATOM 937 C4' DT B 109 -6.278 10.229 -8.129 1.00 0.00 C ATOM 938 O4' DT B 109 -6.027 9.145 -9.021 1.00 0.00 O ATOM 939 C3' DT B 109 -7.364 9.773 -7.126 1.00 0.00 C ATOM 940 O3' DT B 109 -8.640 10.134 -7.643 1.00 0.00 O ATOM 941 C2' DT B 109 -7.113 8.274 -7.182 1.00 0.00 C ATOM 942 C1' DT B 109 -6.947 8.127 -8.696 1.00 0.00 C ATOM 943 N1 DT B 109 -6.546 6.764 -9.126 1.00 0.00 N ATOM 944 C2 DT B 109 -6.998 6.286 -10.357 1.00 0.00 C ATOM 945 O2 DT B 109 -7.631 6.968 -11.159 1.00 0.00 O ATOM 946 N3 DT B 109 -6.707 4.958 -10.644 1.00 0.00 N ATOM 947 C4 DT B 109 -6.019 4.080 -9.818 1.00 0.00 C ATOM 948 O4 DT B 109 -5.909 2.900 -10.142 1.00 0.00 O ATOM 949 C5 DT B 109 -5.520 4.680 -8.592 1.00 0.00 C ATOM 950 C7 DT B 109 -4.623 3.906 -7.649 1.00 0.00 C ATOM 951 C6 DT B 109 -5.813 5.966 -8.291 1.00 0.00 C ATOM 0 H5' DT B 109 -4.276 11.033 -8.257 1.00 0.00 H new ATOM 0 H5'' DT B 109 -5.109 11.434 -6.769 1.00 0.00 H new ATOM 0 H4' DT B 109 -6.666 11.120 -8.623 1.00 0.00 H new ATOM 0 H3' DT B 109 -7.336 10.192 -6.120 1.00 0.00 H new ATOM 0 H2' DT B 109 -6.224 7.973 -6.628 1.00 0.00 H new ATOM 0 H2'' DT B 109 -7.946 7.691 -6.789 1.00 0.00 H new ATOM 0 H1' DT B 109 -7.886 8.243 -9.237 1.00 0.00 H new ATOM 0 H3 DT B 109 -7.028 4.596 -11.542 1.00 0.00 H new ATOM 0 H71 DT B 109 -3.956 4.596 -7.133 1.00 0.00 H new ATOM 0 H72 DT B 109 -5.234 3.377 -6.918 1.00 0.00 H new ATOM 0 H73 DT B 109 -4.032 3.187 -8.217 1.00 0.00 H new ATOM 0 H6 DT B 109 -5.456 6.377 -7.358 1.00 0.00 H new ATOM 964 P DC B 110 -10.049 9.912 -6.867 1.00 0.00 P ATOM 965 OP1 DC B 110 -11.069 10.696 -7.595 1.00 0.00 O ATOM 966 OP2 DC B 110 -9.840 10.190 -5.427 1.00 0.00 O ATOM 967 O5' DC B 110 -10.453 8.352 -7.027 1.00 0.00 O ATOM 968 C5' DC B 110 -10.336 7.665 -8.262 1.00 0.00 C ATOM 969 C4' DC B 110 -11.565 6.824 -8.617 1.00 0.00 C ATOM 970 O4' DC B 110 -12.193 6.200 -7.517 1.00 0.00 O ATOM 971 C3' DC B 110 -12.685 7.617 -9.279 1.00 0.00 C ATOM 972 O3' DC B 110 -12.333 7.936 -10.613 1.00 0.00 O ATOM 973 C2' DC B 110 -13.858 6.641 -9.145 1.00 0.00 C ATOM 974 C1' DC B 110 -13.412 5.694 -8.030 1.00 0.00 C ATOM 975 N1 DC B 110 -14.540 5.435 -7.096 1.00 0.00 N ATOM 976 C2 DC B 110 -14.496 5.817 -5.752 1.00 0.00 C ATOM 977 O2 DC B 110 -13.590 6.512 -5.303 1.00 0.00 O ATOM 978 N3 DC B 110 -15.506 5.398 -4.934 1.00 0.00 N ATOM 979 C4 DC B 110 -16.552 4.708 -5.411 1.00 0.00 C ATOM 980 N4 DC B 110 -17.500 4.308 -4.556 1.00 0.00 N ATOM 981 C5 DC B 110 -16.677 4.421 -6.813 1.00 0.00 C ATOM 982 C6 DC B 110 -15.647 4.804 -7.603 1.00 0.00 C ATOM 0 H5' DC B 110 -9.461 7.016 -8.225 1.00 0.00 H new ATOM 0 H5'' DC B 110 -10.162 8.391 -9.056 1.00 0.00 H new ATOM 0 H4' DC B 110 -11.124 6.090 -9.291 1.00 0.00 H new ATOM 0 H3' DC B 110 -12.912 8.589 -8.841 1.00 0.00 H new ATOM 0 H2' DC B 110 -14.782 7.158 -8.886 1.00 0.00 H new ATOM 0 H2'' DC B 110 -14.042 6.105 -10.076 1.00 0.00 H new ATOM 0 H1' DC B 110 -13.173 4.683 -8.359 1.00 0.00 H new ATOM 0 H41 DC B 110 -18.305 3.782 -4.896 1.00 0.00 H new ATOM 0 H42 DC B 110 -17.418 4.529 -3.564 1.00 0.00 H new ATOM 0 H5 DC B 110 -17.548 3.925 -7.216 1.00 0.00 H new ATOM 0 H6 DC B 110 -15.698 4.607 -8.664 1.00 0.00 H new ATOM 994 P DG B 111 -13.398 8.539 -11.662 1.00 0.00 P ATOM 995 OP1 DG B 111 -12.668 9.366 -12.649 1.00 0.00 O ATOM 996 OP2 DG B 111 -14.540 9.110 -10.914 1.00 0.00 O ATOM 997 O5' DG B 111 -13.885 7.186 -12.388 1.00 0.00 O ATOM 998 C5' DG B 111 -13.087 6.561 -13.374 1.00 0.00 C ATOM 999 C4' DG B 111 -13.617 5.159 -13.682 1.00 0.00 C ATOM 1000 O4' DG B 111 -13.402 4.294 -12.573 1.00 0.00 O ATOM 1001 C3' DG B 111 -15.130 5.140 -13.990 1.00 0.00 C ATOM 1002 O3' DG B 111 -15.444 4.392 -15.153 1.00 0.00 O ATOM 1003 C2' DG B 111 -15.670 4.370 -12.791 1.00 0.00 C ATOM 1004 C1' DG B 111 -14.505 3.417 -12.574 1.00 0.00 C ATOM 1005 N9 DG B 111 -14.638 2.599 -11.354 1.00 0.00 N ATOM 1006 C8 DG B 111 -15.647 2.606 -10.426 1.00 0.00 C ATOM 1007 N7 DG B 111 -15.511 1.719 -9.480 1.00 0.00 N ATOM 1008 C5 DG B 111 -14.337 1.056 -9.821 1.00 0.00 C ATOM 1009 C6 DG B 111 -13.664 -0.012 -9.158 1.00 0.00 C ATOM 1010 O6 DG B 111 -13.981 -0.558 -8.109 1.00 0.00 O ATOM 1011 N1 DG B 111 -12.512 -0.417 -9.821 1.00 0.00 N ATOM 1012 C2 DG B 111 -12.063 0.135 -11.006 1.00 0.00 C ATOM 1013 N2 DG B 111 -10.939 -0.371 -11.522 1.00 0.00 N ATOM 1014 N3 DG B 111 -12.689 1.146 -11.632 1.00 0.00 N ATOM 1015 C4 DG B 111 -13.813 1.564 -10.985 1.00 0.00 C ATOM 0 H5' DG B 111 -12.055 6.498 -13.029 1.00 0.00 H new ATOM 0 H5'' DG B 111 -13.084 7.163 -14.283 1.00 0.00 H new ATOM 0 H4' DG B 111 -13.072 4.825 -14.565 1.00 0.00 H new ATOM 0 H3' DG B 111 -15.527 6.142 -14.153 1.00 0.00 H new ATOM 0 H2' DG B 111 -15.856 5.010 -11.929 1.00 0.00 H new ATOM 0 H2'' DG B 111 -16.603 3.851 -13.010 1.00 0.00 H new ATOM 0 H1' DG B 111 -14.423 2.643 -13.337 1.00 0.00 H new ATOM 0 H8 DG B 111 -16.483 3.288 -10.474 1.00 0.00 H new ATOM 0 H1 DG B 111 -11.962 -1.170 -9.407 1.00 0.00 H new ATOM 0 H21 DG B 111 -10.566 0.002 -12.395 1.00 0.00 H new ATOM 0 H22 DG B 111 -10.454 -1.130 -11.043 1.00 0.00 H new ATOM 1027 P DG B 112 -15.135 4.916 -16.649 1.00 0.00 P ATOM 1028 OP1 DG B 112 -14.281 6.123 -16.575 1.00 0.00 O ATOM 1029 OP2 DG B 112 -16.414 4.958 -17.391 1.00 0.00 O ATOM 1030 O5' DG B 112 -14.261 3.688 -17.221 1.00 0.00 O ATOM 1031 C5' DG B 112 -12.862 3.774 -17.410 1.00 0.00 C ATOM 1032 C4' DG B 112 -12.248 2.371 -17.437 1.00 0.00 C ATOM 1033 O4' DG B 112 -12.463 1.739 -16.182 1.00 0.00 O ATOM 1034 C3' DG B 112 -12.848 1.462 -18.518 1.00 0.00 C ATOM 1035 O3' DG B 112 -11.776 0.701 -19.051 1.00 0.00 O ATOM 1036 C2' DG B 112 -13.844 0.635 -17.706 1.00 0.00 C ATOM 1037 C1' DG B 112 -13.082 0.484 -16.397 1.00 0.00 C ATOM 1038 N9 DG B 112 -13.968 0.152 -15.253 1.00 0.00 N ATOM 1039 C8 DG B 112 -15.166 0.721 -14.897 1.00 0.00 C ATOM 1040 N7 DG B 112 -15.673 0.261 -13.787 1.00 0.00 N ATOM 1041 C5 DG B 112 -14.759 -0.702 -13.379 1.00 0.00 C ATOM 1042 C6 DG B 112 -14.771 -1.554 -12.232 1.00 0.00 C ATOM 1043 O6 DG B 112 -15.587 -1.576 -11.314 1.00 0.00 O ATOM 1044 N1 DG B 112 -13.693 -2.437 -12.217 1.00 0.00 N ATOM 1045 C2 DG B 112 -12.682 -2.449 -13.163 1.00 0.00 C ATOM 1046 N2 DG B 112 -11.708 -3.350 -13.018 1.00 0.00 N ATOM 1047 N3 DG B 112 -12.643 -1.609 -14.208 1.00 0.00 N ATOM 1048 C4 DG B 112 -13.713 -0.774 -14.270 1.00 0.00 C ATOM 0 H5' DG B 112 -12.414 4.360 -16.608 1.00 0.00 H new ATOM 0 H5'' DG B 112 -12.644 4.293 -18.344 1.00 0.00 H new ATOM 0 H4' DG B 112 -11.189 2.507 -17.657 1.00 0.00 H new ATOM 0 H3' DG B 112 -13.336 1.941 -19.367 1.00 0.00 H new ATOM 0 H2' DG B 112 -14.797 1.148 -17.574 1.00 0.00 H new ATOM 0 H2'' DG B 112 -14.061 -0.326 -18.172 1.00 0.00 H new ATOM 0 H1' DG B 112 -12.370 -0.338 -16.464 1.00 0.00 H new ATOM 0 H8 DG B 112 -15.648 1.486 -15.487 1.00 0.00 H new ATOM 0 H1 DG B 112 -13.646 -3.119 -11.460 1.00 0.00 H new ATOM 0 H21 DG B 112 -10.946 -3.390 -13.694 1.00 0.00 H new ATOM 0 H22 DG B 112 -11.726 -3.998 -12.231 1.00 0.00 H new ATOM 1060 P DG B 113 -11.989 -0.579 -20.006 1.00 0.00 P ATOM 1061 OP1 DG B 113 -10.785 -0.728 -20.853 1.00 0.00 O ATOM 1062 OP2 DG B 113 -13.325 -0.490 -20.637 1.00 0.00 O ATOM 1063 O5' DG B 113 -12.006 -1.780 -18.926 1.00 0.00 O ATOM 1064 C5' DG B 113 -10.862 -2.083 -18.145 1.00 0.00 C ATOM 1065 C4' DG B 113 -10.949 -3.485 -17.533 1.00 0.00 C ATOM 1066 O4' DG B 113 -11.857 -3.452 -16.448 1.00 0.00 O ATOM 1067 C3' DG B 113 -11.447 -4.550 -18.523 1.00 0.00 C ATOM 1068 O3' DG B 113 -10.731 -5.756 -18.293 1.00 0.00 O ATOM 1069 C2' DG B 113 -12.919 -4.663 -18.137 1.00 0.00 C ATOM 1070 C1' DG B 113 -12.823 -4.465 -16.630 1.00 0.00 C ATOM 1071 N9 DG B 113 -14.097 -4.043 -16.013 1.00 0.00 N ATOM 1072 C8 DG B 113 -14.934 -3.021 -16.381 1.00 0.00 C ATOM 1073 N7 DG B 113 -15.939 -2.834 -15.572 1.00 0.00 N ATOM 1074 C5 DG B 113 -15.759 -3.801 -14.589 1.00 0.00 C ATOM 1075 C6 DG B 113 -16.532 -4.087 -13.423 1.00 0.00 C ATOM 1076 O6 DG B 113 -17.528 -3.505 -12.998 1.00 0.00 O ATOM 1077 N1 DG B 113 -16.031 -5.178 -12.721 1.00 0.00 N ATOM 1078 C2 DG B 113 -14.906 -5.896 -13.067 1.00 0.00 C ATOM 1079 N2 DG B 113 -14.625 -6.976 -12.330 1.00 0.00 N ATOM 1080 N3 DG B 113 -14.153 -5.600 -14.136 1.00 0.00 N ATOM 1081 C4 DG B 113 -14.637 -4.552 -14.857 1.00 0.00 C ATOM 0 H5' DG B 113 -10.758 -1.345 -17.350 1.00 0.00 H new ATOM 0 H5'' DG B 113 -9.969 -2.011 -18.765 1.00 0.00 H new ATOM 0 H4' DG B 113 -9.939 -3.758 -17.225 1.00 0.00 H new ATOM 0 H3' DG B 113 -11.310 -4.321 -19.580 1.00 0.00 H new ATOM 0 H2' DG B 113 -13.534 -3.902 -18.617 1.00 0.00 H new ATOM 0 H2'' DG B 113 -13.345 -5.631 -18.402 1.00 0.00 H new ATOM 0 H1' DG B 113 -12.562 -5.409 -16.151 1.00 0.00 H new ATOM 0 H8 DG B 113 -14.774 -2.422 -17.265 1.00 0.00 H new ATOM 0 H1 DG B 113 -16.536 -5.470 -11.884 1.00 0.00 H new ATOM 0 H21 DG B 113 -13.804 -7.541 -12.546 1.00 0.00 H new ATOM 0 H22 DG B 113 -15.232 -7.235 -11.552 1.00 0.00 H new ATOM 1093 P DC B 114 -11.003 -7.107 -19.141 1.00 0.00 P ATOM 1094 OP1 DC B 114 -9.751 -7.896 -19.165 1.00 0.00 O ATOM 1095 OP2 DC B 114 -11.663 -6.740 -20.414 1.00 0.00 O ATOM 1096 O5' DC B 114 -12.078 -7.893 -18.229 1.00 0.00 O ATOM 1097 C5' DC B 114 -11.676 -8.663 -17.111 1.00 0.00 C ATOM 1098 C4' DC B 114 -12.899 -9.198 -16.359 1.00 0.00 C ATOM 1099 O4' DC B 114 -13.661 -8.139 -15.823 1.00 0.00 O ATOM 1100 C3' DC B 114 -13.878 -9.980 -17.232 1.00 0.00 C ATOM 1101 O3' DC B 114 -13.460 -11.313 -17.437 1.00 0.00 O ATOM 1102 C2' DC B 114 -15.144 -9.912 -16.386 1.00 0.00 C ATOM 1103 C1' DC B 114 -14.981 -8.606 -15.597 1.00 0.00 C ATOM 1104 N1 DC B 114 -15.953 -7.569 -16.041 1.00 0.00 N ATOM 1105 C2 DC B 114 -17.040 -7.255 -15.220 1.00 0.00 C ATOM 1106 O2 DC B 114 -17.249 -7.869 -14.175 1.00 0.00 O ATOM 1107 N3 DC B 114 -17.858 -6.228 -15.591 1.00 0.00 N ATOM 1108 C4 DC B 114 -17.650 -5.546 -16.727 1.00 0.00 C ATOM 1109 N4 DC B 114 -18.468 -4.531 -17.024 1.00 0.00 N ATOM 1110 C5 DC B 114 -16.571 -5.887 -17.611 1.00 0.00 C ATOM 1111 C6 DC B 114 -15.760 -6.900 -17.226 1.00 0.00 C ATOM 0 H5' DC B 114 -11.069 -8.054 -16.442 1.00 0.00 H new ATOM 0 H5'' DC B 114 -11.052 -9.494 -17.440 1.00 0.00 H new ATOM 0 H4' DC B 114 -12.472 -9.853 -15.599 1.00 0.00 H new ATOM 0 H3' DC B 114 -13.987 -9.582 -18.241 1.00 0.00 H new ATOM 0 H2' DC B 114 -16.040 -9.897 -17.006 1.00 0.00 H new ATOM 0 H2'' DC B 114 -15.230 -10.773 -15.723 1.00 0.00 H new ATOM 0 HO3' DC B 114 -14.115 -11.778 -17.999 1.00 0.00 H new ATOM 0 H1' DC B 114 -15.168 -8.796 -14.540 1.00 0.00 H new ATOM 0 H41 DC B 114 -18.329 -3.998 -17.883 1.00 0.00 H new ATOM 0 H42 DC B 114 -19.231 -4.289 -16.392 1.00 0.00 H new ATOM 0 H5 DC B 114 -16.414 -5.360 -18.540 1.00 0.00 H new ATOM 0 H6 DC B 114 -14.940 -7.190 -17.866 1.00 0.00 H new TER 1124 DC B 114