USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 657 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 84 GLN : amide:sc= 0 K(o=0,f=-1.8) USER MOD Set 1.2: A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 166:sc= 1.21 (180deg=0.776) USER MOD Single : A 83 LYS NZ :NH3+ 166:sc= 2.09 (180deg=1.57) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= 1.64 K(o=1.6,f=-8.8!) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 THR OG1 : rot -170:sc= 0.0927 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.192 USER MOD Single : A 97 LYS NZ :NH3+ 163:sc= 1.27 (180deg=1.03) USER MOD Single : A 100 ASN : amide:sc= 0.116 K(o=0.12,f=-1.4) USER MOD Single : A 101 HIS : no HE2:sc= 0.797 K(o=0.8,f=-2.4!) USER MOD Single : A 102 LYS NZ :NH3+ -169:sc= 1.26 (180deg=1.22) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -158:sc= 1.14 (180deg=0.55) USER MOD Single : A 108 LYS NZ :NH3+ -146:sc= 2.38 (180deg=-0.485) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot 85:sc= 1.21 USER MOD Single : A 125 HIS : no HE2:sc= 1.13 K(o=1.1,f=-3.8!) USER MOD Single : B 1 DC O5' : rot 180:sc= 0 USER MOD Single : B 5 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 9 DT C7 :methyl -30:sc= -0.289 (180deg=-0.448) 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= -0.162 (180deg=-0.162) USER MOD Single : C 21 DT C7 :methyl 150:sc= -1.14 (180deg=-1.14) USER MOD Single : C 24 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 79 -0.968 6.754 9.557 1.00 1.00 N ATOM 2 CA ALA A 79 0.110 6.062 8.799 1.00 1.00 C ATOM 3 C ALA A 79 0.466 6.820 7.521 1.00 1.00 C ATOM 4 O ALA A 79 -0.354 7.559 6.989 1.00 1.00 O ATOM 5 CB ALA A 79 -0.336 4.622 8.477 1.00 1.00 C ATOM 0 HA ALA A 79 1.008 6.031 9.416 1.00 1.00 H new ATOM 0 HB1 ALA A 79 0.452 4.113 7.922 1.00 1.00 H new ATOM 0 HB2 ALA A 79 -0.531 4.085 9.405 1.00 1.00 H new ATOM 0 HB3 ALA A 79 -1.245 4.648 7.876 1.00 1.00 H new ATOM 11 N ARG A 80 1.678 6.625 6.992 1.00 1.00 N ATOM 12 CA ARG A 80 2.194 7.200 5.720 1.00 1.00 C ATOM 13 C ARG A 80 1.510 6.605 4.464 1.00 1.00 C ATOM 14 O ARG A 80 2.156 6.043 3.585 1.00 1.00 O ATOM 15 CB ARG A 80 3.735 7.082 5.695 1.00 1.00 C ATOM 16 CG ARG A 80 4.375 7.953 6.791 1.00 1.00 C ATOM 17 CD ARG A 80 4.457 9.437 6.411 1.00 1.00 C ATOM 18 NE ARG A 80 4.466 10.302 7.609 1.00 1.00 N ATOM 19 CZ ARG A 80 3.447 10.976 8.110 1.00 1.00 C ATOM 20 NH1 ARG A 80 2.267 10.982 7.568 1.00 1.00 N ATOM 21 NH2 ARG A 80 3.570 11.728 9.156 1.00 1.00 N ATOM 0 H ARG A 80 2.370 6.034 7.453 1.00 1.00 H new ATOM 0 HA ARG A 80 1.933 8.258 5.685 1.00 1.00 H new ATOM 0 HB2 ARG A 80 4.026 6.041 5.837 1.00 1.00 H new ATOM 0 HB3 ARG A 80 4.110 7.387 4.718 1.00 1.00 H new ATOM 0 HG2 ARG A 80 3.798 7.851 7.710 1.00 1.00 H new ATOM 0 HG3 ARG A 80 5.378 7.582 7.001 1.00 1.00 H new ATOM 0 HD2 ARG A 80 5.359 9.615 5.826 1.00 1.00 H new ATOM 0 HD3 ARG A 80 3.609 9.699 5.778 1.00 1.00 H new ATOM 0 HE ARG A 80 5.355 10.388 8.102 1.00 1.00 H new ATOM 0 HH11 ARG A 80 2.095 10.449 6.716 1.00 1.00 H new ATOM 0 HH12 ARG A 80 1.512 11.520 7.995 1.00 1.00 H new ATOM 0 HH21 ARG A 80 4.475 11.813 9.619 1.00 1.00 H new ATOM 0 HH22 ARG A 80 2.762 12.235 9.517 1.00 1.00 H new ATOM 35 N LYS A 81 0.177 6.701 4.412 1.00 1.00 N ATOM 36 CA LYS A 81 -0.738 6.272 3.353 1.00 1.00 C ATOM 37 C LYS A 81 -0.355 6.887 2.015 1.00 1.00 C ATOM 38 O LYS A 81 -0.154 8.093 1.877 1.00 1.00 O ATOM 39 CB LYS A 81 -2.168 6.712 3.728 1.00 1.00 C ATOM 40 CG LYS A 81 -2.799 5.906 4.878 1.00 1.00 C ATOM 41 CD LYS A 81 -3.863 6.722 5.622 1.00 1.00 C ATOM 42 CE LYS A 81 -4.618 5.829 6.621 1.00 1.00 C ATOM 43 NZ LYS A 81 -5.395 6.635 7.602 1.00 1.00 N ATOM 0 H LYS A 81 -0.336 7.122 5.186 1.00 1.00 H new ATOM 0 HA LYS A 81 -0.682 5.188 3.257 1.00 1.00 H new ATOM 0 HB2 LYS A 81 -2.150 7.766 4.006 1.00 1.00 H new ATOM 0 HB3 LYS A 81 -2.805 6.625 2.847 1.00 1.00 H new ATOM 0 HG2 LYS A 81 -3.249 4.996 4.481 1.00 1.00 H new ATOM 0 HG3 LYS A 81 -2.021 5.598 5.577 1.00 1.00 H new ATOM 0 HD2 LYS A 81 -3.392 7.552 6.149 1.00 1.00 H new ATOM 0 HD3 LYS A 81 -4.564 7.155 4.908 1.00 1.00 H new ATOM 0 HE2 LYS A 81 -5.293 5.166 6.079 1.00 1.00 H new ATOM 0 HE3 LYS A 81 -3.907 5.196 7.152 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -6.069 6.019 8.101 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 -4.745 7.066 8.290 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -5.915 7.384 7.102 1.00 1.00 H new ATOM 57 N VAL A 82 -0.289 6.012 1.027 1.00 1.00 N ATOM 58 CA VAL A 82 -0.076 6.359 -0.378 1.00 1.00 C ATOM 59 C VAL A 82 -1.316 6.986 -1.005 1.00 1.00 C ATOM 60 O VAL A 82 -2.423 6.453 -0.900 1.00 1.00 O ATOM 61 CB VAL A 82 0.305 5.105 -1.185 1.00 1.00 C ATOM 62 CG1 VAL A 82 0.399 5.372 -2.691 1.00 1.00 C ATOM 63 CG2 VAL A 82 1.646 4.571 -0.684 1.00 1.00 C ATOM 0 H VAL A 82 -0.384 5.008 1.179 1.00 1.00 H new ATOM 0 HA VAL A 82 0.734 7.088 -0.406 1.00 1.00 H new ATOM 0 HB VAL A 82 -0.488 4.372 -1.035 1.00 1.00 H new ATOM 0 HG11 VAL A 82 0.671 4.451 -3.207 1.00 1.00 H new ATOM 0 HG12 VAL A 82 -0.565 5.724 -3.059 1.00 1.00 H new ATOM 0 HG13 VAL A 82 1.158 6.131 -2.879 1.00 1.00 H new ATOM 0 HG21 VAL A 82 1.919 3.683 -1.253 1.00 1.00 H new ATOM 0 HG22 VAL A 82 2.413 5.335 -0.813 1.00 1.00 H new ATOM 0 HG23 VAL A 82 1.564 4.314 0.372 1.00 1.00 H new ATOM 73 N LYS A 83 -1.113 8.093 -1.712 1.00 1.00 N ATOM 74 CA LYS A 83 -2.096 8.696 -2.593 1.00 1.00 C ATOM 75 C LYS A 83 -1.644 8.410 -4.014 1.00 1.00 C ATOM 76 O LYS A 83 -0.517 8.723 -4.404 1.00 1.00 O ATOM 77 CB LYS A 83 -2.232 10.215 -2.400 1.00 1.00 C ATOM 78 CG LYS A 83 -3.421 10.569 -1.504 1.00 1.00 C ATOM 79 CD LYS A 83 -3.444 12.083 -1.279 1.00 1.00 C ATOM 80 CE LYS A 83 -4.760 12.531 -0.642 1.00 1.00 C ATOM 81 NZ LYS A 83 -4.618 13.865 -0.020 1.00 1.00 N ATOM 0 H LYS A 83 -0.233 8.607 -1.684 1.00 1.00 H new ATOM 0 HA LYS A 83 -3.075 8.272 -2.369 1.00 1.00 H new ATOM 0 HB2 LYS A 83 -1.316 10.609 -1.961 1.00 1.00 H new ATOM 0 HB3 LYS A 83 -2.353 10.696 -3.371 1.00 1.00 H new ATOM 0 HG2 LYS A 83 -4.352 10.243 -1.968 1.00 1.00 H new ATOM 0 HG3 LYS A 83 -3.341 10.048 -0.550 1.00 1.00 H new ATOM 0 HD2 LYS A 83 -2.611 12.370 -0.637 1.00 1.00 H new ATOM 0 HD3 LYS A 83 -3.305 12.596 -2.231 1.00 1.00 H new ATOM 0 HE2 LYS A 83 -5.544 12.560 -1.399 1.00 1.00 H new ATOM 0 HE3 LYS A 83 -5.070 11.806 0.110 1.00 1.00 H new ATOM 0 HZ1 LYS A 83 -5.560 14.251 0.193 1.00 1.00 H new ATOM 0 HZ2 LYS A 83 -4.071 13.781 0.861 1.00 1.00 H new ATOM 0 HZ3 LYS A 83 -4.123 14.503 -0.676 1.00 1.00 H new ATOM 95 N GLN A 84 -2.505 7.749 -4.776 1.00 1.00 N ATOM 96 CA GLN A 84 -2.324 7.636 -6.204 1.00 1.00 C ATOM 97 C GLN A 84 -2.921 8.931 -6.748 1.00 1.00 C ATOM 98 O GLN A 84 -3.942 9.410 -6.258 1.00 1.00 O ATOM 99 CB GLN A 84 -3.002 6.371 -6.773 1.00 1.00 C ATOM 100 CG GLN A 84 -3.729 6.549 -8.114 1.00 1.00 C ATOM 101 CD GLN A 84 -4.344 5.240 -8.604 1.00 1.00 C ATOM 102 OE1 GLN A 84 -5.542 5.023 -8.517 1.00 1.00 O ATOM 103 NE2 GLN A 84 -3.557 4.312 -9.108 1.00 1.00 N ATOM 0 H GLN A 84 -3.339 7.282 -4.419 1.00 1.00 H new ATOM 0 HA GLN A 84 -1.279 7.519 -6.493 1.00 1.00 H new ATOM 0 HB2 GLN A 84 -2.243 5.597 -6.892 1.00 1.00 H new ATOM 0 HB3 GLN A 84 -3.719 6.004 -6.038 1.00 1.00 H new ATOM 0 HG2 GLN A 84 -4.511 7.300 -8.006 1.00 1.00 H new ATOM 0 HG3 GLN A 84 -3.028 6.923 -8.860 1.00 1.00 H new ATOM 0 HE21 GLN A 84 -2.554 4.481 -9.186 1.00 1.00 H new ATOM 0 HE22 GLN A 84 -3.950 3.424 -9.420 1.00 1.00 H new ATOM 112 N TYR A 85 -2.318 9.447 -7.800 1.00 1.00 N ATOM 113 CA TYR A 85 -2.839 10.581 -8.555 1.00 1.00 C ATOM 114 C TYR A 85 -2.906 10.175 -10.027 1.00 1.00 C ATOM 115 O TYR A 85 -2.013 9.481 -10.508 1.00 1.00 O ATOM 116 CB TYR A 85 -1.935 11.806 -8.336 1.00 1.00 C ATOM 117 CG TYR A 85 -1.702 12.209 -6.891 1.00 1.00 C ATOM 118 CD1 TYR A 85 -2.639 13.035 -6.244 1.00 1.00 C ATOM 119 CD2 TYR A 85 -0.529 11.807 -6.218 1.00 1.00 C ATOM 120 CE1 TYR A 85 -2.404 13.488 -4.930 1.00 1.00 C ATOM 121 CE2 TYR A 85 -0.286 12.254 -4.905 1.00 1.00 C ATOM 122 CZ TYR A 85 -1.217 13.106 -4.264 1.00 1.00 C ATOM 123 OH TYR A 85 -0.977 13.556 -3.006 1.00 1.00 O ATOM 0 H TYR A 85 -1.436 9.087 -8.165 1.00 1.00 H new ATOM 0 HA TYR A 85 -3.839 10.855 -8.219 1.00 1.00 H new ATOM 0 HB2 TYR A 85 -0.968 11.607 -8.798 1.00 1.00 H new ATOM 0 HB3 TYR A 85 -2.371 12.654 -8.864 1.00 1.00 H new ATOM 0 HD1 TYR A 85 -3.544 13.324 -6.757 1.00 1.00 H new ATOM 0 HD2 TYR A 85 0.181 11.158 -6.709 1.00 1.00 H new ATOM 0 HE1 TYR A 85 -3.125 14.122 -4.436 1.00 1.00 H new ATOM 0 HE2 TYR A 85 0.611 11.947 -4.387 1.00 1.00 H new ATOM 0 HH TYR A 85 -0.120 13.202 -2.690 1.00 1.00 H new ATOM 133 N LYS A 86 -3.933 10.613 -10.757 1.00 1.00 N ATOM 134 CA LYS A 86 -4.116 10.355 -12.193 1.00 1.00 C ATOM 135 C LYS A 86 -4.473 11.662 -12.893 1.00 1.00 C ATOM 136 O LYS A 86 -5.264 12.430 -12.362 1.00 1.00 O ATOM 137 CB LYS A 86 -5.207 9.283 -12.370 1.00 1.00 C ATOM 138 CG LYS A 86 -5.594 9.050 -13.840 1.00 1.00 C ATOM 139 CD LYS A 86 -6.441 7.778 -13.983 1.00 1.00 C ATOM 140 CE LYS A 86 -6.741 7.505 -15.464 1.00 1.00 C ATOM 141 NZ LYS A 86 -7.603 6.299 -15.640 1.00 1.00 N ATOM 0 H LYS A 86 -4.685 11.174 -10.357 1.00 1.00 H new ATOM 0 HA LYS A 86 -3.198 9.978 -12.645 1.00 1.00 H new ATOM 0 HB2 LYS A 86 -4.858 8.344 -11.940 1.00 1.00 H new ATOM 0 HB3 LYS A 86 -6.094 9.580 -11.810 1.00 1.00 H new ATOM 0 HG2 LYS A 86 -6.152 9.908 -14.215 1.00 1.00 H new ATOM 0 HG3 LYS A 86 -4.694 8.964 -14.449 1.00 1.00 H new ATOM 0 HD2 LYS A 86 -5.912 6.929 -13.549 1.00 1.00 H new ATOM 0 HD3 LYS A 86 -7.374 7.889 -13.430 1.00 1.00 H new ATOM 0 HE2 LYS A 86 -7.235 8.373 -15.901 1.00 1.00 H new ATOM 0 HE3 LYS A 86 -5.805 7.365 -16.005 1.00 1.00 H new ATOM 0 HZ1 LYS A 86 -7.784 6.147 -16.653 1.00 1.00 H new ATOM 0 HZ2 LYS A 86 -7.120 5.467 -15.245 1.00 1.00 H new ATOM 0 HZ3 LYS A 86 -8.506 6.443 -15.145 1.00 1.00 H new ATOM 155 N ASN A 87 -3.907 11.909 -14.068 1.00 1.00 N ATOM 156 CA ASN A 87 -4.075 13.179 -14.776 1.00 1.00 C ATOM 157 C ASN A 87 -5.042 13.058 -15.979 1.00 1.00 C ATOM 158 O ASN A 87 -4.670 12.461 -16.995 1.00 1.00 O ATOM 159 CB ASN A 87 -2.678 13.661 -15.178 1.00 1.00 C ATOM 160 CG ASN A 87 -2.673 15.048 -15.780 1.00 1.00 C ATOM 161 OD1 ASN A 87 -3.625 15.511 -16.389 1.00 1.00 O ATOM 162 ND2 ASN A 87 -1.608 15.780 -15.597 1.00 1.00 N ATOM 0 H ASN A 87 -3.318 11.237 -14.560 1.00 1.00 H new ATOM 0 HA ASN A 87 -4.545 13.917 -14.126 1.00 1.00 H new ATOM 0 HB2 ASN A 87 -2.032 13.651 -14.300 1.00 1.00 H new ATOM 0 HB3 ASN A 87 -2.252 12.960 -15.895 1.00 1.00 H new ATOM 0 HD21 ASN A 87 -1.575 16.732 -15.962 1.00 1.00 H new ATOM 0 HD22 ASN A 87 -0.809 15.400 -15.089 1.00 1.00 H new ATOM 169 N PRO A 88 -6.248 13.663 -15.921 1.00 1.00 N ATOM 170 CA PRO A 88 -7.211 13.696 -17.027 1.00 1.00 C ATOM 171 C PRO A 88 -6.674 14.212 -18.374 1.00 1.00 C ATOM 172 O PRO A 88 -7.186 13.834 -19.429 1.00 1.00 O ATOM 173 CB PRO A 88 -8.356 14.600 -16.542 1.00 1.00 C ATOM 174 CG PRO A 88 -8.302 14.477 -15.022 1.00 1.00 C ATOM 175 CD PRO A 88 -6.807 14.337 -14.755 1.00 1.00 C ATOM 0 HA PRO A 88 -7.508 12.671 -17.248 1.00 1.00 H new ATOM 0 HB2 PRO A 88 -8.215 15.632 -16.865 1.00 1.00 H new ATOM 0 HB3 PRO A 88 -9.318 14.272 -16.935 1.00 1.00 H new ATOM 0 HG2 PRO A 88 -8.722 15.354 -14.529 1.00 1.00 H new ATOM 0 HG3 PRO A 88 -8.861 13.612 -14.665 1.00 1.00 H new ATOM 0 HD2 PRO A 88 -6.344 15.313 -14.610 1.00 1.00 H new ATOM 0 HD3 PRO A 88 -6.626 13.761 -13.848 1.00 1.00 H new ATOM 183 N HIS A 89 -5.649 15.080 -18.354 1.00 1.00 N ATOM 184 CA HIS A 89 -5.100 15.762 -19.540 1.00 1.00 C ATOM 185 C HIS A 89 -4.008 14.964 -20.274 1.00 1.00 C ATOM 186 O HIS A 89 -3.716 15.264 -21.431 1.00 1.00 O ATOM 187 CB HIS A 89 -4.580 17.147 -19.121 1.00 1.00 C ATOM 188 CG HIS A 89 -5.618 17.974 -18.407 1.00 1.00 C ATOM 189 ND1 HIS A 89 -6.662 18.658 -19.001 1.00 1.00 N ATOM 190 CD2 HIS A 89 -5.716 18.153 -17.052 1.00 1.00 C ATOM 191 CE1 HIS A 89 -7.382 19.249 -18.027 1.00 1.00 C ATOM 192 NE2 HIS A 89 -6.824 18.956 -16.833 1.00 1.00 N ATOM 0 H HIS A 89 -5.167 15.334 -17.492 1.00 1.00 H new ATOM 0 HA HIS A 89 -5.912 15.859 -20.261 1.00 1.00 H new ATOM 0 HB2 HIS A 89 -3.713 17.023 -18.472 1.00 1.00 H new ATOM 0 HB3 HIS A 89 -4.241 17.685 -20.006 1.00 1.00 H new ATOM 0 HD2 HIS A 89 -5.057 17.746 -16.299 1.00 1.00 H new ATOM 0 HE1 HIS A 89 -8.262 19.858 -18.177 1.00 1.00 H new ATOM 0 HE2 HIS A 89 -7.161 19.272 -15.924 1.00 1.00 H new ATOM 201 N THR A 90 -3.415 13.952 -19.628 1.00 1.00 N ATOM 202 CA THR A 90 -2.279 13.173 -20.165 1.00 1.00 C ATOM 203 C THR A 90 -2.469 11.653 -20.103 1.00 1.00 C ATOM 204 O THR A 90 -1.832 10.927 -20.869 1.00 1.00 O ATOM 205 CB THR A 90 -0.982 13.507 -19.411 1.00 1.00 C ATOM 206 OG1 THR A 90 -1.087 13.035 -18.087 1.00 1.00 O ATOM 207 CG2 THR A 90 -0.706 15.004 -19.292 1.00 1.00 C ATOM 0 H THR A 90 -3.712 13.642 -18.703 1.00 1.00 H new ATOM 0 HA THR A 90 -2.222 13.463 -21.214 1.00 1.00 H new ATOM 0 HB THR A 90 -0.180 13.041 -19.984 1.00 1.00 H new ATOM 0 HG1 THR A 90 -0.338 13.379 -17.557 1.00 1.00 H new ATOM 0 HG21 THR A 90 0.226 15.160 -18.748 1.00 1.00 H new ATOM 0 HG22 THR A 90 -0.622 15.439 -20.288 1.00 1.00 H new ATOM 0 HG23 THR A 90 -1.524 15.483 -18.755 1.00 1.00 H new ATOM 215 N GLY A 91 -3.340 11.161 -19.213 1.00 1.00 N ATOM 216 CA GLY A 91 -3.521 9.735 -18.935 1.00 1.00 C ATOM 217 C GLY A 91 -2.406 9.112 -18.080 1.00 1.00 C ATOM 218 O GLY A 91 -2.389 7.891 -17.907 1.00 1.00 O ATOM 0 H GLY A 91 -3.951 11.758 -18.655 1.00 1.00 H new ATOM 0 HA2 GLY A 91 -4.475 9.594 -18.427 1.00 1.00 H new ATOM 0 HA3 GLY A 91 -3.581 9.197 -19.881 1.00 1.00 H new ATOM 222 N GLU A 92 -1.473 9.910 -17.547 1.00 1.00 N ATOM 223 CA GLU A 92 -0.452 9.459 -16.617 1.00 1.00 C ATOM 224 C GLU A 92 -1.033 9.291 -15.217 1.00 1.00 C ATOM 225 O GLU A 92 -2.013 9.919 -14.815 1.00 1.00 O ATOM 226 CB GLU A 92 0.725 10.443 -16.551 1.00 1.00 C ATOM 227 CG GLU A 92 1.682 10.278 -17.730 1.00 1.00 C ATOM 228 CD GLU A 92 2.693 9.133 -17.501 1.00 1.00 C ATOM 229 OE1 GLU A 92 2.294 7.943 -17.521 1.00 1.00 O ATOM 230 OE2 GLU A 92 3.901 9.416 -17.307 1.00 1.00 O ATOM 0 H GLU A 92 -1.413 10.906 -17.760 1.00 1.00 H new ATOM 0 HA GLU A 92 -0.090 8.498 -16.983 1.00 1.00 H new ATOM 0 HB2 GLU A 92 0.343 11.464 -16.536 1.00 1.00 H new ATOM 0 HB3 GLU A 92 1.270 10.293 -15.619 1.00 1.00 H new ATOM 0 HG2 GLU A 92 1.110 10.080 -18.636 1.00 1.00 H new ATOM 0 HG3 GLU A 92 2.222 11.211 -17.892 1.00 1.00 H new ATOM 237 N VAL A 93 -0.346 8.456 -14.458 1.00 1.00 N ATOM 238 CA VAL A 93 -0.641 8.085 -13.076 1.00 1.00 C ATOM 239 C VAL A 93 0.661 8.061 -12.264 1.00 1.00 C ATOM 240 O VAL A 93 1.755 7.848 -12.794 1.00 1.00 O ATOM 241 CB VAL A 93 -1.323 6.705 -13.038 1.00 1.00 C ATOM 242 CG1 VAL A 93 -1.861 6.303 -11.650 1.00 1.00 C ATOM 243 CG2 VAL A 93 -2.504 6.637 -14.017 1.00 1.00 C ATOM 0 H VAL A 93 0.488 7.986 -14.809 1.00 1.00 H new ATOM 0 HA VAL A 93 -1.318 8.819 -12.639 1.00 1.00 H new ATOM 0 HB VAL A 93 -0.530 6.011 -13.317 1.00 1.00 H new ATOM 0 HG11 VAL A 93 -2.326 5.319 -11.711 1.00 1.00 H new ATOM 0 HG12 VAL A 93 -1.038 6.272 -10.936 1.00 1.00 H new ATOM 0 HG13 VAL A 93 -2.600 7.033 -11.321 1.00 1.00 H new ATOM 0 HG21 VAL A 93 -2.963 5.650 -13.965 1.00 1.00 H new ATOM 0 HG22 VAL A 93 -3.241 7.394 -13.751 1.00 1.00 H new ATOM 0 HG23 VAL A 93 -2.147 6.818 -15.031 1.00 1.00 H new ATOM 253 N ILE A 94 0.514 8.252 -10.961 1.00 1.00 N ATOM 254 CA ILE A 94 1.562 8.240 -9.940 1.00 1.00 C ATOM 255 C ILE A 94 1.019 7.629 -8.648 1.00 1.00 C ATOM 256 O ILE A 94 -0.188 7.507 -8.460 1.00 1.00 O ATOM 257 CB ILE A 94 2.104 9.661 -9.600 1.00 1.00 C ATOM 258 CG1 ILE A 94 1.532 10.820 -10.443 1.00 1.00 C ATOM 259 CG2 ILE A 94 3.641 9.671 -9.646 1.00 1.00 C ATOM 260 CD1 ILE A 94 1.943 12.187 -9.894 1.00 1.00 C ATOM 0 H ILE A 94 -0.405 8.433 -10.557 1.00 1.00 H new ATOM 0 HA ILE A 94 2.381 7.651 -10.354 1.00 1.00 H new ATOM 0 HB ILE A 94 1.746 9.857 -8.589 1.00 1.00 H new ATOM 0 HG12 ILE A 94 1.878 10.724 -11.472 1.00 1.00 H new ATOM 0 HG13 ILE A 94 0.444 10.750 -10.464 1.00 1.00 H new ATOM 0 HG21 ILE A 94 4.006 10.670 -9.407 1.00 1.00 H new ATOM 0 HG22 ILE A 94 4.031 8.958 -8.920 1.00 1.00 H new ATOM 0 HG23 ILE A 94 3.977 9.392 -10.645 1.00 1.00 H new ATOM 0 HD11 ILE A 94 1.518 12.973 -10.519 1.00 1.00 H new ATOM 0 HD12 ILE A 94 1.575 12.295 -8.874 1.00 1.00 H new ATOM 0 HD13 ILE A 94 3.030 12.269 -9.898 1.00 1.00 H new ATOM 272 N GLU A 95 1.932 7.367 -7.720 1.00 1.00 N ATOM 273 CA GLU A 95 1.715 6.961 -6.334 1.00 1.00 C ATOM 274 C GLU A 95 2.817 7.550 -5.446 1.00 1.00 C ATOM 275 O GLU A 95 4.004 7.306 -5.685 1.00 1.00 O ATOM 276 CB GLU A 95 1.789 5.433 -6.229 1.00 1.00 C ATOM 277 CG GLU A 95 0.461 4.765 -6.576 1.00 1.00 C ATOM 278 CD GLU A 95 0.555 3.233 -6.434 1.00 1.00 C ATOM 279 OE1 GLU A 95 0.682 2.729 -5.290 1.00 1.00 O ATOM 280 OE2 GLU A 95 0.488 2.518 -7.462 1.00 1.00 O ATOM 0 H GLU A 95 2.927 7.439 -7.935 1.00 1.00 H new ATOM 0 HA GLU A 95 0.737 7.318 -6.012 1.00 1.00 H new ATOM 0 HB2 GLU A 95 2.566 5.062 -6.898 1.00 1.00 H new ATOM 0 HB3 GLU A 95 2.080 5.154 -5.216 1.00 1.00 H new ATOM 0 HG2 GLU A 95 -0.323 5.146 -5.922 1.00 1.00 H new ATOM 0 HG3 GLU A 95 0.177 5.022 -7.597 1.00 1.00 H new ATOM 287 N THR A 96 2.433 8.314 -4.422 1.00 1.00 N ATOM 288 CA THR A 96 3.368 8.942 -3.467 1.00 1.00 C ATOM 289 C THR A 96 2.738 8.971 -2.068 1.00 1.00 C ATOM 290 O THR A 96 1.515 8.950 -1.938 1.00 1.00 O ATOM 291 CB THR A 96 3.803 10.366 -3.909 1.00 1.00 C ATOM 292 OG1 THR A 96 3.069 11.367 -3.234 1.00 1.00 O ATOM 293 CG2 THR A 96 3.640 10.663 -5.409 1.00 1.00 C ATOM 0 H THR A 96 1.454 8.521 -4.224 1.00 1.00 H new ATOM 0 HA THR A 96 4.274 8.336 -3.444 1.00 1.00 H new ATOM 0 HB THR A 96 4.864 10.384 -3.659 1.00 1.00 H new ATOM 0 HG1 THR A 96 3.368 12.251 -3.534 1.00 1.00 H new ATOM 0 HG21 THR A 96 3.970 11.681 -5.616 1.00 1.00 H new ATOM 0 HG22 THR A 96 4.242 9.961 -5.986 1.00 1.00 H new ATOM 0 HG23 THR A 96 2.592 10.558 -5.689 1.00 1.00 H new ATOM 301 N LYS A 97 3.545 9.021 -1.006 1.00 1.00 N ATOM 302 CA LYS A 97 3.074 9.186 0.388 1.00 1.00 C ATOM 303 C LYS A 97 3.106 10.664 0.835 1.00 1.00 C ATOM 304 O LYS A 97 2.945 10.957 2.023 1.00 1.00 O ATOM 305 CB LYS A 97 3.927 8.308 1.319 1.00 1.00 C ATOM 306 CG LYS A 97 4.005 6.826 0.900 1.00 1.00 C ATOM 307 CD LYS A 97 5.080 6.059 1.686 1.00 1.00 C ATOM 308 CE LYS A 97 5.428 4.699 1.065 1.00 1.00 C ATOM 309 NZ LYS A 97 6.183 4.840 -0.215 1.00 1.00 N ATOM 0 H LYS A 97 4.560 8.948 -1.082 1.00 1.00 H new ATOM 0 HA LYS A 97 2.033 8.866 0.442 1.00 1.00 H new ATOM 0 HB2 LYS A 97 4.937 8.716 1.359 1.00 1.00 H new ATOM 0 HB3 LYS A 97 3.520 8.367 2.328 1.00 1.00 H new ATOM 0 HG2 LYS A 97 3.035 6.354 1.057 1.00 1.00 H new ATOM 0 HG3 LYS A 97 4.221 6.762 -0.166 1.00 1.00 H new ATOM 0 HD2 LYS A 97 5.983 6.667 1.742 1.00 1.00 H new ATOM 0 HD3 LYS A 97 4.734 5.907 2.708 1.00 1.00 H new ATOM 0 HE2 LYS A 97 6.021 4.120 1.773 1.00 1.00 H new ATOM 0 HE3 LYS A 97 4.511 4.139 0.884 1.00 1.00 H new ATOM 0 HZ1 LYS A 97 6.642 3.936 -0.449 1.00 1.00 H new ATOM 0 HZ2 LYS A 97 5.527 5.103 -0.978 1.00 1.00 H new ATOM 0 HZ3 LYS A 97 6.907 5.579 -0.111 1.00 1.00 H new ATOM 323 N GLY A 98 3.364 11.570 -0.110 1.00 1.00 N ATOM 324 CA GLY A 98 3.646 12.988 0.089 1.00 1.00 C ATOM 325 C GLY A 98 4.955 13.441 -0.564 1.00 1.00 C ATOM 326 O GLY A 98 5.554 12.733 -1.381 1.00 1.00 O ATOM 0 H GLY A 98 3.382 11.314 -1.097 1.00 1.00 H new ATOM 0 HA2 GLY A 98 2.823 13.576 -0.317 1.00 1.00 H new ATOM 0 HA3 GLY A 98 3.690 13.196 1.158 1.00 1.00 H new ATOM 330 N GLY A 99 5.400 14.632 -0.168 1.00 1.00 N ATOM 331 CA GLY A 99 6.707 15.194 -0.490 1.00 1.00 C ATOM 332 C GLY A 99 6.902 15.735 -1.913 1.00 1.00 C ATOM 333 O GLY A 99 6.106 15.528 -2.832 1.00 1.00 O ATOM 0 H GLY A 99 4.836 15.256 0.409 1.00 1.00 H new ATOM 0 HA2 GLY A 99 6.909 16.004 0.211 1.00 1.00 H new ATOM 0 HA3 GLY A 99 7.459 14.425 -0.314 1.00 1.00 H new ATOM 337 N ASN A 100 8.020 16.442 -2.076 1.00 1.00 N ATOM 338 CA ASN A 100 8.602 16.899 -3.333 1.00 1.00 C ATOM 339 C ASN A 100 8.865 15.671 -4.236 1.00 1.00 C ATOM 340 O ASN A 100 9.808 14.911 -4.014 1.00 1.00 O ATOM 341 CB ASN A 100 9.867 17.703 -2.951 1.00 1.00 C ATOM 342 CG ASN A 100 10.915 17.929 -4.033 1.00 1.00 C ATOM 343 OD1 ASN A 100 10.705 17.732 -5.223 1.00 1.00 O ATOM 344 ND2 ASN A 100 12.084 18.365 -3.614 1.00 1.00 N ATOM 0 H ASN A 100 8.581 16.730 -1.274 1.00 1.00 H new ATOM 0 HA ASN A 100 7.949 17.550 -3.915 1.00 1.00 H new ATOM 0 HB2 ASN A 100 9.547 18.679 -2.585 1.00 1.00 H new ATOM 0 HB3 ASN A 100 10.350 17.193 -2.118 1.00 1.00 H new ATOM 0 HD21 ASN A 100 12.832 18.544 -4.284 1.00 1.00 H new ATOM 0 HD22 ASN A 100 12.242 18.524 -2.619 1.00 1.00 H new ATOM 351 N HIS A 101 7.985 15.450 -5.224 1.00 1.00 N ATOM 352 CA HIS A 101 8.069 14.360 -6.213 1.00 1.00 C ATOM 353 C HIS A 101 7.892 14.933 -7.628 1.00 1.00 C ATOM 354 O HIS A 101 6.907 15.620 -7.887 1.00 1.00 O ATOM 355 CB HIS A 101 7.056 13.260 -5.840 1.00 1.00 C ATOM 356 CG HIS A 101 7.258 11.977 -6.611 1.00 1.00 C ATOM 357 ND1 HIS A 101 8.231 11.017 -6.377 1.00 1.00 N ATOM 358 CD2 HIS A 101 6.517 11.563 -7.687 1.00 1.00 C ATOM 359 CE1 HIS A 101 8.080 10.038 -7.293 1.00 1.00 C ATOM 360 NE2 HIS A 101 7.048 10.349 -8.103 1.00 1.00 N ATOM 0 H HIS A 101 7.167 16.044 -5.363 1.00 1.00 H new ATOM 0 HA HIS A 101 9.051 13.888 -6.204 1.00 1.00 H new ATOM 0 HB2 HIS A 101 7.133 13.051 -4.773 1.00 1.00 H new ATOM 0 HB3 HIS A 101 6.046 13.629 -6.020 1.00 1.00 H new ATOM 0 HD1 HIS A 101 8.937 11.046 -5.641 1.00 1.00 H new ATOM 0 HD2 HIS A 101 5.679 12.082 -8.128 1.00 1.00 H new ATOM 0 HE1 HIS A 101 8.688 9.148 -7.366 1.00 1.00 H new ATOM 369 N LYS A 102 8.817 14.631 -8.548 1.00 1.00 N ATOM 370 CA LYS A 102 8.944 15.271 -9.878 1.00 1.00 C ATOM 371 C LYS A 102 7.640 15.451 -10.666 1.00 1.00 C ATOM 372 O LYS A 102 7.180 16.579 -10.799 1.00 1.00 O ATOM 373 CB LYS A 102 10.061 14.565 -10.671 1.00 1.00 C ATOM 374 CG LYS A 102 10.534 15.432 -11.841 1.00 1.00 C ATOM 375 CD LYS A 102 11.874 14.917 -12.385 1.00 1.00 C ATOM 376 CE LYS A 102 12.644 16.114 -12.941 1.00 1.00 C ATOM 377 NZ LYS A 102 14.057 15.765 -13.233 1.00 1.00 N ATOM 0 H LYS A 102 9.523 13.913 -8.389 1.00 1.00 H new ATOM 0 HA LYS A 102 9.227 16.309 -9.703 1.00 1.00 H new ATOM 0 HB2 LYS A 102 10.901 14.350 -10.010 1.00 1.00 H new ATOM 0 HB3 LYS A 102 9.697 13.608 -11.046 1.00 1.00 H new ATOM 0 HG2 LYS A 102 9.786 15.423 -12.633 1.00 1.00 H new ATOM 0 HG3 LYS A 102 10.641 16.467 -11.515 1.00 1.00 H new ATOM 0 HD2 LYS A 102 12.445 14.429 -11.595 1.00 1.00 H new ATOM 0 HD3 LYS A 102 11.709 14.173 -13.165 1.00 1.00 H new ATOM 0 HE2 LYS A 102 12.160 16.468 -13.851 1.00 1.00 H new ATOM 0 HE3 LYS A 102 12.612 16.934 -12.223 1.00 1.00 H new ATOM 0 HZ1 LYS A 102 14.596 16.633 -13.429 1.00 1.00 H new ATOM 0 HZ2 LYS A 102 14.471 15.279 -12.412 1.00 1.00 H new ATOM 0 HZ3 LYS A 102 14.096 15.139 -14.062 1.00 1.00 H new ATOM 391 N THR A 103 6.988 14.369 -11.106 1.00 1.00 N ATOM 392 CA THR A 103 5.754 14.452 -11.926 1.00 1.00 C ATOM 393 C THR A 103 4.622 15.183 -11.199 1.00 1.00 C ATOM 394 O THR A 103 3.944 16.031 -11.776 1.00 1.00 O ATOM 395 CB THR A 103 5.269 13.060 -12.369 1.00 1.00 C ATOM 396 OG1 THR A 103 6.322 12.348 -12.987 1.00 1.00 O ATOM 397 CG2 THR A 103 4.094 13.165 -13.343 1.00 1.00 C ATOM 0 H THR A 103 7.290 13.415 -10.911 1.00 1.00 H new ATOM 0 HA THR A 103 6.021 15.030 -12.811 1.00 1.00 H new ATOM 0 HB THR A 103 4.938 12.528 -11.477 1.00 1.00 H new ATOM 0 HG1 THR A 103 6.001 11.464 -13.263 1.00 1.00 H new ATOM 0 HG21 THR A 103 3.775 12.165 -13.637 1.00 1.00 H new ATOM 0 HG22 THR A 103 3.266 13.683 -12.859 1.00 1.00 H new ATOM 0 HG23 THR A 103 4.403 13.722 -14.227 1.00 1.00 H new ATOM 405 N LEU A 104 4.465 14.908 -9.900 1.00 1.00 N ATOM 406 CA LEU A 104 3.459 15.547 -9.044 1.00 1.00 C ATOM 407 C LEU A 104 3.653 17.075 -8.985 1.00 1.00 C ATOM 408 O LEU A 104 2.679 17.823 -9.053 1.00 1.00 O ATOM 409 CB LEU A 104 3.528 14.866 -7.661 1.00 1.00 C ATOM 410 CG LEU A 104 2.474 15.311 -6.630 1.00 1.00 C ATOM 411 CD1 LEU A 104 1.057 15.049 -7.128 1.00 1.00 C ATOM 412 CD2 LEU A 104 2.672 14.535 -5.331 1.00 1.00 C ATOM 0 H LEU A 104 5.041 14.226 -9.406 1.00 1.00 H new ATOM 0 HA LEU A 104 2.458 15.413 -9.454 1.00 1.00 H new ATOM 0 HB2 LEU A 104 3.434 13.790 -7.804 1.00 1.00 H new ATOM 0 HB3 LEU A 104 4.517 15.046 -7.239 1.00 1.00 H new ATOM 0 HG LEU A 104 2.601 16.382 -6.470 1.00 1.00 H new ATOM 0 HD11 LEU A 104 0.340 15.376 -6.374 1.00 1.00 H new ATOM 0 HD12 LEU A 104 0.888 15.601 -8.053 1.00 1.00 H new ATOM 0 HD13 LEU A 104 0.928 13.983 -7.314 1.00 1.00 H new ATOM 0 HD21 LEU A 104 1.926 14.850 -4.602 1.00 1.00 H new ATOM 0 HD22 LEU A 104 2.562 13.468 -5.524 1.00 1.00 H new ATOM 0 HD23 LEU A 104 3.669 14.732 -4.938 1.00 1.00 H new ATOM 424 N LYS A 105 4.908 17.546 -8.942 1.00 1.00 N ATOM 425 CA LYS A 105 5.245 18.980 -8.992 1.00 1.00 C ATOM 426 C LYS A 105 4.951 19.608 -10.354 1.00 1.00 C ATOM 427 O LYS A 105 4.535 20.764 -10.392 1.00 1.00 O ATOM 428 CB LYS A 105 6.718 19.200 -8.589 1.00 1.00 C ATOM 429 CG LYS A 105 7.000 19.049 -7.082 1.00 1.00 C ATOM 430 CD LYS A 105 6.293 20.068 -6.161 1.00 1.00 C ATOM 431 CE LYS A 105 6.509 21.527 -6.605 1.00 1.00 C ATOM 432 NZ LYS A 105 5.934 22.491 -5.620 1.00 1.00 N ATOM 0 H LYS A 105 5.725 16.940 -8.871 1.00 1.00 H new ATOM 0 HA LYS A 105 4.601 19.486 -8.273 1.00 1.00 H new ATOM 0 HB2 LYS A 105 7.340 18.490 -9.135 1.00 1.00 H new ATOM 0 HB3 LYS A 105 7.022 20.198 -8.904 1.00 1.00 H new ATOM 0 HG2 LYS A 105 6.706 18.045 -6.775 1.00 1.00 H new ATOM 0 HG3 LYS A 105 8.075 19.129 -6.923 1.00 1.00 H new ATOM 0 HD2 LYS A 105 5.224 19.853 -6.143 1.00 1.00 H new ATOM 0 HD3 LYS A 105 6.660 19.945 -5.142 1.00 1.00 H new ATOM 0 HE2 LYS A 105 7.576 21.718 -6.722 1.00 1.00 H new ATOM 0 HE3 LYS A 105 6.048 21.683 -7.580 1.00 1.00 H new ATOM 0 HZ1 LYS A 105 5.755 23.402 -6.089 1.00 1.00 H new ATOM 0 HZ2 LYS A 105 5.040 22.113 -5.246 1.00 1.00 H new ATOM 0 HZ3 LYS A 105 6.605 22.630 -4.838 1.00 1.00 H new ATOM 446 N GLU A 106 5.085 18.874 -11.460 1.00 1.00 N ATOM 447 CA GLU A 106 4.735 19.410 -12.782 1.00 1.00 C ATOM 448 C GLU A 106 3.235 19.618 -12.904 1.00 1.00 C ATOM 449 O GLU A 106 2.769 20.645 -13.381 1.00 1.00 O ATOM 450 CB GLU A 106 5.146 18.486 -13.931 1.00 1.00 C ATOM 451 CG GLU A 106 6.573 17.982 -13.815 1.00 1.00 C ATOM 452 CD GLU A 106 7.045 17.321 -15.124 1.00 1.00 C ATOM 453 OE1 GLU A 106 7.593 18.032 -16.002 1.00 1.00 O ATOM 454 OE2 GLU A 106 6.875 16.086 -15.281 1.00 1.00 O ATOM 0 H GLU A 106 5.430 17.914 -11.470 1.00 1.00 H new ATOM 0 HA GLU A 106 5.279 20.351 -12.860 1.00 1.00 H new ATOM 0 HB2 GLU A 106 4.468 17.633 -13.962 1.00 1.00 H new ATOM 0 HB3 GLU A 106 5.032 19.019 -14.875 1.00 1.00 H new ATOM 0 HG2 GLU A 106 7.234 18.812 -13.566 1.00 1.00 H new ATOM 0 HG3 GLU A 106 6.641 17.264 -12.998 1.00 1.00 H new ATOM 461 N TRP A 107 2.464 18.647 -12.421 1.00 1.00 N ATOM 462 CA TRP A 107 0.999 18.740 -12.455 1.00 1.00 C ATOM 463 C TRP A 107 0.465 19.932 -11.645 1.00 1.00 C ATOM 464 O TRP A 107 -0.474 20.608 -12.075 1.00 1.00 O ATOM 465 CB TRP A 107 0.374 17.425 -11.985 1.00 1.00 C ATOM 466 CG TRP A 107 0.625 16.187 -12.793 1.00 1.00 C ATOM 467 CD1 TRP A 107 1.445 16.048 -13.863 1.00 1.00 C ATOM 468 CD2 TRP A 107 0.038 14.870 -12.574 1.00 1.00 C ATOM 469 NE1 TRP A 107 1.409 14.742 -14.306 1.00 1.00 N ATOM 470 CE2 TRP A 107 0.607 13.962 -13.510 1.00 1.00 C ATOM 471 CE3 TRP A 107 -0.916 14.348 -11.678 1.00 1.00 C ATOM 472 CZ2 TRP A 107 0.312 12.598 -13.513 1.00 1.00 C ATOM 473 CZ3 TRP A 107 -1.278 12.990 -11.719 1.00 1.00 C ATOM 474 CH2 TRP A 107 -0.654 12.112 -12.621 1.00 1.00 C ATOM 0 H TRP A 107 2.823 17.789 -12.002 1.00 1.00 H new ATOM 0 HA TRP A 107 0.707 18.918 -13.490 1.00 1.00 H new ATOM 0 HB2 TRP A 107 0.723 17.235 -10.970 1.00 1.00 H new ATOM 0 HB3 TRP A 107 -0.705 17.572 -11.929 1.00 1.00 H new ATOM 0 HD1 TRP A 107 2.036 16.838 -14.302 1.00 1.00 H new ATOM 0 HE1 TRP A 107 1.915 14.399 -15.123 1.00 1.00 H new ATOM 0 HE3 TRP A 107 -1.375 15.000 -10.950 1.00 1.00 H new ATOM 0 HZ2 TRP A 107 0.819 11.928 -14.191 1.00 1.00 H new ATOM 0 HZ3 TRP A 107 -2.042 12.619 -11.052 1.00 1.00 H new ATOM 0 HH2 TRP A 107 -0.918 11.065 -12.627 1.00 1.00 H new ATOM 485 N LYS A 108 1.098 20.257 -10.510 1.00 1.00 N ATOM 486 CA LYS A 108 0.780 21.476 -9.741 1.00 1.00 C ATOM 487 C LYS A 108 1.128 22.756 -10.505 1.00 1.00 C ATOM 488 O LYS A 108 0.396 23.737 -10.400 1.00 1.00 O ATOM 489 CB LYS A 108 1.529 21.488 -8.405 1.00 1.00 C ATOM 490 CG LYS A 108 0.998 20.413 -7.461 1.00 1.00 C ATOM 491 CD LYS A 108 1.661 20.589 -6.097 1.00 1.00 C ATOM 492 CE LYS A 108 1.242 19.437 -5.189 1.00 1.00 C ATOM 493 NZ LYS A 108 1.745 19.654 -3.813 1.00 1.00 N ATOM 0 H LYS A 108 1.839 19.690 -10.098 1.00 1.00 H new ATOM 0 HA LYS A 108 -0.296 21.455 -9.570 1.00 1.00 H new ATOM 0 HB2 LYS A 108 2.593 21.327 -8.581 1.00 1.00 H new ATOM 0 HB3 LYS A 108 1.428 22.468 -7.938 1.00 1.00 H new ATOM 0 HG2 LYS A 108 -0.085 20.493 -7.368 1.00 1.00 H new ATOM 0 HG3 LYS A 108 1.211 19.421 -7.860 1.00 1.00 H new ATOM 0 HD2 LYS A 108 2.745 20.608 -6.205 1.00 1.00 H new ATOM 0 HD3 LYS A 108 1.368 21.542 -5.656 1.00 1.00 H new ATOM 0 HE2 LYS A 108 0.155 19.352 -5.177 1.00 1.00 H new ATOM 0 HE3 LYS A 108 1.631 18.497 -5.581 1.00 1.00 H new ATOM 0 HZ1 LYS A 108 1.983 18.738 -3.382 1.00 1.00 H new ATOM 0 HZ2 LYS A 108 2.594 20.253 -3.844 1.00 1.00 H new ATOM 0 HZ3 LYS A 108 1.011 20.123 -3.245 1.00 1.00 H new ATOM 507 N ALA A 109 2.219 22.750 -11.276 1.00 1.00 N ATOM 508 CA ALA A 109 2.610 23.881 -12.109 1.00 1.00 C ATOM 509 C ALA A 109 1.604 24.100 -13.248 1.00 1.00 C ATOM 510 O ALA A 109 1.143 25.216 -13.500 1.00 1.00 O ATOM 511 CB ALA A 109 3.998 23.600 -12.703 1.00 1.00 C ATOM 0 H ALA A 109 2.856 21.955 -11.337 1.00 1.00 H new ATOM 0 HA ALA A 109 2.632 24.781 -11.494 1.00 1.00 H new ATOM 0 HB1 ALA A 109 4.303 24.439 -13.329 1.00 1.00 H new ATOM 0 HB2 ALA A 109 4.719 23.468 -11.896 1.00 1.00 H new ATOM 0 HB3 ALA A 109 3.959 22.693 -13.306 1.00 1.00 H new ATOM 517 N LYS A 110 1.286 22.997 -13.937 1.00 1.00 N ATOM 518 CA LYS A 110 0.536 22.959 -15.179 1.00 1.00 C ATOM 519 C LYS A 110 -0.975 23.190 -15.014 1.00 1.00 C ATOM 520 O LYS A 110 -1.585 23.805 -15.892 1.00 1.00 O ATOM 521 CB LYS A 110 0.825 21.628 -15.892 1.00 1.00 C ATOM 522 CG LYS A 110 2.222 21.618 -16.545 1.00 1.00 C ATOM 523 CD LYS A 110 2.565 20.280 -17.218 1.00 1.00 C ATOM 524 CE LYS A 110 1.808 20.048 -18.538 1.00 1.00 C ATOM 525 NZ LYS A 110 2.384 20.832 -19.674 1.00 1.00 N ATOM 0 H LYS A 110 1.562 22.067 -13.621 1.00 1.00 H new ATOM 0 HA LYS A 110 0.874 23.798 -15.787 1.00 1.00 H new ATOM 0 HB2 LYS A 110 0.753 20.809 -15.176 1.00 1.00 H new ATOM 0 HB3 LYS A 110 0.066 21.452 -16.655 1.00 1.00 H new ATOM 0 HG2 LYS A 110 2.275 22.415 -17.287 1.00 1.00 H new ATOM 0 HG3 LYS A 110 2.973 21.839 -15.786 1.00 1.00 H new ATOM 0 HD2 LYS A 110 3.637 20.243 -17.411 1.00 1.00 H new ATOM 0 HD3 LYS A 110 2.337 19.466 -16.529 1.00 1.00 H new ATOM 0 HE2 LYS A 110 1.831 18.987 -18.785 1.00 1.00 H new ATOM 0 HE3 LYS A 110 0.761 20.322 -18.406 1.00 1.00 H new ATOM 0 HZ1 LYS A 110 1.839 20.641 -20.539 1.00 1.00 H new ATOM 0 HZ2 LYS A 110 2.339 21.847 -19.453 1.00 1.00 H new ATOM 0 HZ3 LYS A 110 3.375 20.554 -19.821 1.00 1.00 H new ATOM 539 N TRP A 111 -1.565 22.736 -13.897 1.00 1.00 N ATOM 540 CA TRP A 111 -3.019 22.806 -13.641 1.00 1.00 C ATOM 541 C TRP A 111 -3.383 23.302 -12.229 1.00 1.00 C ATOM 542 O TRP A 111 -4.205 24.215 -12.109 1.00 1.00 O ATOM 543 CB TRP A 111 -3.667 21.443 -13.936 1.00 1.00 C ATOM 544 CG TRP A 111 -3.475 20.939 -15.337 1.00 1.00 C ATOM 545 CD1 TRP A 111 -4.181 21.322 -16.426 1.00 1.00 C ATOM 546 CD2 TRP A 111 -2.472 20.001 -15.838 1.00 1.00 C ATOM 547 NE1 TRP A 111 -3.678 20.697 -17.555 1.00 1.00 N ATOM 548 CE2 TRP A 111 -2.612 19.876 -17.249 1.00 1.00 C ATOM 549 CE3 TRP A 111 -1.435 19.269 -15.230 1.00 1.00 C ATOM 550 CZ2 TRP A 111 -1.770 19.058 -18.019 1.00 1.00 C ATOM 551 CZ3 TRP A 111 -0.551 18.485 -15.997 1.00 1.00 C ATOM 552 CH2 TRP A 111 -0.735 18.352 -17.382 1.00 1.00 C ATOM 0 H TRP A 111 -1.043 22.304 -13.135 1.00 1.00 H new ATOM 0 HA TRP A 111 -3.420 23.559 -14.320 1.00 1.00 H new ATOM 0 HB2 TRP A 111 -3.261 20.707 -13.242 1.00 1.00 H new ATOM 0 HB3 TRP A 111 -4.736 21.515 -13.735 1.00 1.00 H new ATOM 0 HD1 TRP A 111 -5.012 22.012 -16.416 1.00 1.00 H new ATOM 0 HE1 TRP A 111 -4.049 20.827 -18.496 1.00 1.00 H new ATOM 0 HE3 TRP A 111 -1.315 19.309 -14.157 1.00 1.00 H new ATOM 0 HZ2 TRP A 111 -1.916 18.972 -19.086 1.00 1.00 H new ATOM 0 HZ3 TRP A 111 0.275 17.982 -15.516 1.00 1.00 H new ATOM 0 HH2 TRP A 111 -0.084 17.710 -17.956 1.00 1.00 H new ATOM 563 N GLY A 112 -2.766 22.761 -11.167 1.00 1.00 N ATOM 564 CA GLY A 112 -2.869 23.303 -9.795 1.00 1.00 C ATOM 565 C GLY A 112 -2.970 22.251 -8.682 1.00 1.00 C ATOM 566 O GLY A 112 -3.490 21.164 -8.924 1.00 1.00 O ATOM 0 H GLY A 112 -2.177 21.931 -11.232 1.00 1.00 H new ATOM 0 HA2 GLY A 112 -1.998 23.929 -9.603 1.00 1.00 H new ATOM 0 HA3 GLY A 112 -3.745 23.950 -9.742 1.00 1.00 H new ATOM 570 N PRO A 113 -2.536 22.548 -7.440 1.00 1.00 N ATOM 571 CA PRO A 113 -2.600 21.599 -6.319 1.00 1.00 C ATOM 572 C PRO A 113 -4.022 21.168 -5.935 1.00 1.00 C ATOM 573 O PRO A 113 -4.228 20.019 -5.555 1.00 1.00 O ATOM 574 CB PRO A 113 -1.876 22.282 -5.151 1.00 1.00 C ATOM 575 CG PRO A 113 -1.901 23.768 -5.501 1.00 1.00 C ATOM 576 CD PRO A 113 -1.899 23.792 -7.025 1.00 1.00 C ATOM 0 HA PRO A 113 -2.124 20.662 -6.607 1.00 1.00 H new ATOM 0 HB2 PRO A 113 -2.380 22.089 -4.204 1.00 1.00 H new ATOM 0 HB3 PRO A 113 -0.855 21.916 -5.049 1.00 1.00 H new ATOM 0 HG2 PRO A 113 -2.786 24.258 -5.096 1.00 1.00 H new ATOM 0 HG3 PRO A 113 -1.034 24.288 -5.093 1.00 1.00 H new ATOM 0 HD2 PRO A 113 -2.444 24.656 -7.404 1.00 1.00 H new ATOM 0 HD3 PRO A 113 -0.883 23.861 -7.414 1.00 1.00 H new ATOM 584 N GLU A 114 -5.012 22.052 -6.089 1.00 1.00 N ATOM 585 CA GLU A 114 -6.428 21.750 -5.825 1.00 1.00 C ATOM 586 C GLU A 114 -6.937 20.650 -6.756 1.00 1.00 C ATOM 587 O GLU A 114 -7.560 19.673 -6.337 1.00 1.00 O ATOM 588 CB GLU A 114 -7.288 22.997 -6.056 1.00 1.00 C ATOM 589 CG GLU A 114 -6.726 24.266 -5.415 1.00 1.00 C ATOM 590 CD GLU A 114 -7.742 25.423 -5.478 1.00 1.00 C ATOM 591 OE1 GLU A 114 -7.776 26.155 -6.498 1.00 1.00 O ATOM 592 OE2 GLU A 114 -8.515 25.616 -4.507 1.00 1.00 O ATOM 0 H GLU A 114 -4.854 23.009 -6.404 1.00 1.00 H new ATOM 0 HA GLU A 114 -6.503 21.420 -4.789 1.00 1.00 H new ATOM 0 HB2 GLU A 114 -7.393 23.160 -7.129 1.00 1.00 H new ATOM 0 HB3 GLU A 114 -8.288 22.815 -5.662 1.00 1.00 H new ATOM 0 HG2 GLU A 114 -6.464 24.066 -4.376 1.00 1.00 H new ATOM 0 HG3 GLU A 114 -5.808 24.557 -5.925 1.00 1.00 H new ATOM 599 N ALA A 115 -6.605 20.822 -8.037 1.00 1.00 N ATOM 600 CA ALA A 115 -6.911 19.887 -9.109 1.00 1.00 C ATOM 601 C ALA A 115 -6.279 18.526 -8.818 1.00 1.00 C ATOM 602 O ALA A 115 -6.947 17.494 -8.756 1.00 1.00 O ATOM 603 CB ALA A 115 -6.358 20.459 -10.423 1.00 1.00 C ATOM 0 H ALA A 115 -6.099 21.646 -8.362 1.00 1.00 H new ATOM 0 HA ALA A 115 -7.990 19.750 -9.188 1.00 1.00 H new ATOM 0 HB1 ALA A 115 -6.578 19.772 -11.240 1.00 1.00 H new ATOM 0 HB2 ALA A 115 -6.824 21.423 -10.625 1.00 1.00 H new ATOM 0 HB3 ALA A 115 -5.279 20.589 -10.338 1.00 1.00 H new ATOM 609 N VAL A 116 -4.973 18.575 -8.562 1.00 1.00 N ATOM 610 CA VAL A 116 -4.112 17.429 -8.336 1.00 1.00 C ATOM 611 C VAL A 116 -4.600 16.570 -7.163 1.00 1.00 C ATOM 612 O VAL A 116 -4.761 15.361 -7.315 1.00 1.00 O ATOM 613 CB VAL A 116 -2.676 17.939 -8.155 1.00 1.00 C ATOM 614 CG1 VAL A 116 -1.699 16.926 -7.565 1.00 1.00 C ATOM 615 CG2 VAL A 116 -2.143 18.385 -9.522 1.00 1.00 C ATOM 0 H VAL A 116 -4.468 19.460 -8.505 1.00 1.00 H new ATOM 0 HA VAL A 116 -4.141 16.763 -9.198 1.00 1.00 H new ATOM 0 HB VAL A 116 -2.736 18.755 -7.435 1.00 1.00 H new ATOM 0 HG11 VAL A 116 -0.712 17.381 -7.477 1.00 1.00 H new ATOM 0 HG12 VAL A 116 -2.046 16.617 -6.579 1.00 1.00 H new ATOM 0 HG13 VAL A 116 -1.640 16.055 -8.218 1.00 1.00 H new ATOM 0 HG21 VAL A 116 -1.122 18.751 -9.413 1.00 1.00 H new ATOM 0 HG22 VAL A 116 -2.154 17.540 -10.210 1.00 1.00 H new ATOM 0 HG23 VAL A 116 -2.774 19.182 -9.916 1.00 1.00 H new ATOM 625 N GLU A 117 -4.927 17.189 -6.025 1.00 1.00 N ATOM 626 CA GLU A 117 -5.534 16.505 -4.878 1.00 1.00 C ATOM 627 C GLU A 117 -6.933 15.954 -5.200 1.00 1.00 C ATOM 628 O GLU A 117 -7.287 14.860 -4.755 1.00 1.00 O ATOM 629 CB GLU A 117 -5.682 17.503 -3.717 1.00 1.00 C ATOM 630 CG GLU A 117 -4.380 17.752 -2.952 1.00 1.00 C ATOM 631 CD GLU A 117 -4.206 16.685 -1.847 1.00 1.00 C ATOM 632 OE1 GLU A 117 -4.035 15.486 -2.168 1.00 1.00 O ATOM 633 OE2 GLU A 117 -4.337 17.002 -0.641 1.00 1.00 O ATOM 0 H GLU A 117 -4.777 18.186 -5.872 1.00 1.00 H new ATOM 0 HA GLU A 117 -4.882 15.671 -4.618 1.00 1.00 H new ATOM 0 HB2 GLU A 117 -6.050 18.451 -4.109 1.00 1.00 H new ATOM 0 HB3 GLU A 117 -6.436 17.131 -3.023 1.00 1.00 H new ATOM 0 HG2 GLU A 117 -3.533 17.719 -3.638 1.00 1.00 H new ATOM 0 HG3 GLU A 117 -4.393 18.748 -2.509 1.00 1.00 H new ATOM 640 N SER A 118 -7.732 16.692 -5.981 1.00 1.00 N ATOM 641 CA SER A 118 -9.096 16.277 -6.349 1.00 1.00 C ATOM 642 C SER A 118 -9.107 15.030 -7.242 1.00 1.00 C ATOM 643 O SER A 118 -10.036 14.224 -7.175 1.00 1.00 O ATOM 644 CB SER A 118 -9.873 17.402 -7.051 1.00 1.00 C ATOM 645 OG SER A 118 -10.007 18.531 -6.205 1.00 1.00 O ATOM 0 H SER A 118 -7.455 17.591 -6.375 1.00 1.00 H new ATOM 0 HA SER A 118 -9.590 16.037 -5.407 1.00 1.00 H new ATOM 0 HB2 SER A 118 -9.357 17.689 -7.967 1.00 1.00 H new ATOM 0 HB3 SER A 118 -10.860 17.041 -7.341 1.00 1.00 H new ATOM 0 HG SER A 118 -9.207 19.092 -6.279 1.00 1.00 H new ATOM 651 N TRP A 119 -8.057 14.838 -8.047 1.00 1.00 N ATOM 652 CA TRP A 119 -7.843 13.631 -8.851 1.00 1.00 C ATOM 653 C TRP A 119 -7.339 12.418 -8.039 1.00 1.00 C ATOM 654 O TRP A 119 -7.235 11.325 -8.603 1.00 1.00 O ATOM 655 CB TRP A 119 -6.829 13.917 -9.968 1.00 1.00 C ATOM 656 CG TRP A 119 -7.008 15.115 -10.860 1.00 1.00 C ATOM 657 CD1 TRP A 119 -8.172 15.741 -11.156 1.00 1.00 C ATOM 658 CD2 TRP A 119 -5.972 15.839 -11.597 1.00 1.00 C ATOM 659 NE1 TRP A 119 -7.924 16.814 -11.992 1.00 1.00 N ATOM 660 CE2 TRP A 119 -6.582 16.924 -12.293 1.00 1.00 C ATOM 661 CE3 TRP A 119 -4.575 15.676 -11.758 1.00 1.00 C ATOM 662 CZ2 TRP A 119 -5.848 17.814 -13.090 1.00 1.00 C ATOM 663 CZ3 TRP A 119 -3.830 16.555 -12.568 1.00 1.00 C ATOM 664 CH2 TRP A 119 -4.461 17.627 -13.227 1.00 1.00 C ATOM 0 H TRP A 119 -7.317 15.531 -8.160 1.00 1.00 H new ATOM 0 HA TRP A 119 -8.821 13.370 -9.255 1.00 1.00 H new ATOM 0 HB2 TRP A 119 -5.848 14.005 -9.500 1.00 1.00 H new ATOM 0 HB3 TRP A 119 -6.798 13.037 -10.610 1.00 1.00 H new ATOM 0 HD1 TRP A 119 -9.146 15.447 -10.794 1.00 1.00 H new ATOM 0 HE1 TRP A 119 -8.644 17.446 -12.343 1.00 1.00 H new ATOM 0 HE3 TRP A 119 -4.073 14.865 -11.252 1.00 1.00 H new ATOM 0 HZ2 TRP A 119 -6.342 18.633 -13.592 1.00 1.00 H new ATOM 0 HZ3 TRP A 119 -2.767 16.405 -12.684 1.00 1.00 H new ATOM 0 HH2 TRP A 119 -3.881 18.304 -13.836 1.00 1.00 H new ATOM 675 N ALA A 120 -6.968 12.575 -6.759 1.00 1.00 N ATOM 676 CA ALA A 120 -6.329 11.516 -5.998 1.00 1.00 C ATOM 677 C ALA A 120 -7.258 10.357 -5.596 1.00 1.00 C ATOM 678 O ALA A 120 -8.491 10.412 -5.641 1.00 1.00 O ATOM 679 CB ALA A 120 -5.615 12.082 -4.760 1.00 1.00 C ATOM 0 H ALA A 120 -7.106 13.439 -6.234 1.00 1.00 H new ATOM 0 HA ALA A 120 -5.599 11.082 -6.682 1.00 1.00 H new ATOM 0 HB1 ALA A 120 -5.145 11.269 -4.208 1.00 1.00 H new ATOM 0 HB2 ALA A 120 -4.853 12.795 -5.074 1.00 1.00 H new ATOM 0 HB3 ALA A 120 -6.340 12.584 -4.119 1.00 1.00 H new ATOM 685 N THR A 121 -6.573 9.328 -5.121 1.00 1.00 N ATOM 686 CA THR A 121 -7.044 8.002 -4.705 1.00 1.00 C ATOM 687 C THR A 121 -6.215 7.549 -3.513 1.00 1.00 C ATOM 688 O THR A 121 -4.996 7.668 -3.528 1.00 1.00 O ATOM 689 CB THR A 121 -6.827 7.011 -5.852 1.00 1.00 C ATOM 690 OG1 THR A 121 -7.544 7.400 -7.009 1.00 1.00 O ATOM 691 CG2 THR A 121 -7.320 5.622 -5.456 1.00 1.00 C ATOM 0 H THR A 121 -5.563 9.403 -5.002 1.00 1.00 H new ATOM 0 HA THR A 121 -8.101 8.045 -4.444 1.00 1.00 H new ATOM 0 HB THR A 121 -5.758 6.998 -6.063 1.00 1.00 H new ATOM 0 HG1 THR A 121 -7.386 6.751 -7.726 1.00 1.00 H new ATOM 0 HG21 THR A 121 -7.159 4.929 -6.282 1.00 1.00 H new ATOM 0 HG22 THR A 121 -6.770 5.277 -4.580 1.00 1.00 H new ATOM 0 HG23 THR A 121 -8.384 5.666 -5.222 1.00 1.00 H new ATOM 699 N LEU A 122 -6.857 6.988 -2.495 1.00 1.00 N ATOM 700 CA LEU A 122 -6.216 6.504 -1.272 1.00 1.00 C ATOM 701 C LEU A 122 -5.878 5.018 -1.421 1.00 1.00 C ATOM 702 O LEU A 122 -6.749 4.209 -1.744 1.00 1.00 O ATOM 703 CB LEU A 122 -7.173 6.763 -0.095 1.00 1.00 C ATOM 704 CG LEU A 122 -6.792 6.060 1.227 1.00 1.00 C ATOM 705 CD1 LEU A 122 -5.410 6.447 1.760 1.00 1.00 C ATOM 706 CD2 LEU A 122 -7.820 6.389 2.310 1.00 1.00 C ATOM 0 H LEU A 122 -7.868 6.852 -2.495 1.00 1.00 H new ATOM 0 HA LEU A 122 -5.280 7.030 -1.084 1.00 1.00 H new ATOM 0 HB2 LEU A 122 -7.222 7.837 0.084 1.00 1.00 H new ATOM 0 HB3 LEU A 122 -8.174 6.442 -0.384 1.00 1.00 H new ATOM 0 HG LEU A 122 -6.773 4.995 0.995 1.00 1.00 H new ATOM 0 HD11 LEU A 122 -5.216 5.912 2.690 1.00 1.00 H new ATOM 0 HD12 LEU A 122 -4.650 6.184 1.025 1.00 1.00 H new ATOM 0 HD13 LEU A 122 -5.379 7.521 1.946 1.00 1.00 H new ATOM 0 HD21 LEU A 122 -7.543 5.889 3.238 1.00 1.00 H new ATOM 0 HD22 LEU A 122 -7.846 7.467 2.472 1.00 1.00 H new ATOM 0 HD23 LEU A 122 -8.805 6.046 1.993 1.00 1.00 H new ATOM 718 N LEU A 123 -4.621 4.673 -1.148 1.00 1.00 N ATOM 719 CA LEU A 123 -4.066 3.329 -1.238 1.00 1.00 C ATOM 720 C LEU A 123 -3.358 2.931 0.065 1.00 1.00 C ATOM 721 O LEU A 123 -2.500 3.644 0.581 1.00 1.00 O ATOM 722 CB LEU A 123 -3.098 3.276 -2.436 1.00 1.00 C ATOM 723 CG LEU A 123 -3.744 3.618 -3.788 1.00 1.00 C ATOM 724 CD1 LEU A 123 -2.651 3.561 -4.848 1.00 1.00 C ATOM 725 CD2 LEU A 123 -4.830 2.622 -4.201 1.00 1.00 C ATOM 0 H LEU A 123 -3.930 5.359 -0.843 1.00 1.00 H new ATOM 0 HA LEU A 123 -4.873 2.612 -1.390 1.00 1.00 H new ATOM 0 HB2 LEU A 123 -2.276 3.968 -2.254 1.00 1.00 H new ATOM 0 HB3 LEU A 123 -2.667 2.277 -2.495 1.00 1.00 H new ATOM 0 HG LEU A 123 -4.206 4.601 -3.695 1.00 1.00 H new ATOM 0 HD11 LEU A 123 -3.077 3.799 -5.823 1.00 1.00 H new ATOM 0 HD12 LEU A 123 -1.871 4.283 -4.606 1.00 1.00 H new ATOM 0 HD13 LEU A 123 -2.222 2.559 -4.875 1.00 1.00 H new ATOM 0 HD21 LEU A 123 -5.248 2.918 -5.163 1.00 1.00 H new ATOM 0 HD22 LEU A 123 -4.397 1.625 -4.284 1.00 1.00 H new ATOM 0 HD23 LEU A 123 -5.620 2.613 -3.450 1.00 1.00 H new ATOM 737 N GLY A 124 -3.687 1.735 0.548 1.00 1.00 N ATOM 738 CA GLY A 124 -3.080 1.097 1.730 1.00 1.00 C ATOM 739 C GLY A 124 -1.705 0.448 1.481 1.00 1.00 C ATOM 740 O GLY A 124 -1.248 -0.339 2.313 1.00 1.00 O ATOM 0 H GLY A 124 -4.409 1.157 0.117 1.00 1.00 H new ATOM 0 HA2 GLY A 124 -2.976 1.845 2.516 1.00 1.00 H new ATOM 0 HA3 GLY A 124 -3.763 0.335 2.105 1.00 1.00 H new ATOM 744 N HIS A 125 -1.071 0.733 0.333 1.00 1.00 N ATOM 745 CA HIS A 125 0.277 0.268 -0.033 1.00 1.00 C ATOM 746 C HIS A 125 1.373 0.729 0.957 1.00 1.00 C ATOM 747 O HIS A 125 2.338 -0.043 1.170 1.00 1.00 O ATOM 748 CB HIS A 125 0.613 0.684 -1.473 1.00 1.00 C ATOM 749 CG HIS A 125 -0.298 0.153 -2.559 1.00 1.00 C ATOM 750 ND1 HIS A 125 -0.350 0.611 -3.867 1.00 1.00 N ATOM 751 CD2 HIS A 125 -1.157 -0.912 -2.464 1.00 1.00 C ATOM 752 CE1 HIS A 125 -1.216 -0.166 -4.550 1.00 1.00 C ATOM 753 NE2 HIS A 125 -1.728 -1.092 -3.712 1.00 1.00 N ATOM 0 H HIS A 125 -1.496 1.313 -0.390 1.00 1.00 H new ATOM 0 HA HIS A 125 0.263 -0.820 0.027 1.00 1.00 H new ATOM 0 HB2 HIS A 125 0.606 1.773 -1.524 1.00 1.00 H new ATOM 0 HB3 HIS A 125 1.631 0.361 -1.693 1.00 1.00 H new ATOM 0 HD1 HIS A 125 0.175 1.399 -4.247 1.00 1.00 H new ATOM 0 HD2 HIS A 125 -1.352 -1.501 -1.580 1.00 1.00 H new ATOM 0 HE1 HIS A 125 -1.460 -0.064 -5.597 1.00 1.00 H new TER 762 HIS A 125 ATOM 763 O5' DC B 1 -2.921 28.085 6.110 1.00 1.00 O ATOM 764 C5' DC B 1 -3.094 29.235 6.946 1.00 1.00 C ATOM 765 C4' DC B 1 -2.395 29.132 8.317 1.00 1.00 C ATOM 766 O4' DC B 1 -3.010 28.138 9.131 1.00 1.00 O ATOM 767 C3' DC B 1 -0.902 28.814 8.178 1.00 1.00 C ATOM 768 O3' DC B 1 -0.126 29.710 8.977 1.00 1.00 O ATOM 769 C2' DC B 1 -0.825 27.357 8.613 1.00 1.00 C ATOM 770 C1' DC B 1 -2.037 27.188 9.532 1.00 1.00 C ATOM 771 N1 DC B 1 -2.635 25.832 9.484 1.00 1.00 N ATOM 772 C2 DC B 1 -2.931 25.135 10.663 1.00 1.00 C ATOM 773 O2 DC B 1 -2.651 25.583 11.777 1.00 1.00 O ATOM 774 N3 DC B 1 -3.549 23.928 10.618 1.00 1.00 N ATOM 775 C4 DC B 1 -3.825 23.412 9.437 1.00 1.00 C ATOM 776 N4 DC B 1 -4.440 22.262 9.451 1.00 1.00 N ATOM 777 C5 DC B 1 -3.534 24.068 8.207 1.00 1.00 C ATOM 778 C6 DC B 1 -2.945 25.281 8.279 1.00 1.00 C ATOM 0 H5' DC B 1 -4.160 29.397 7.106 1.00 1.00 H new ATOM 0 H5'' DC B 1 -2.713 30.112 6.422 1.00 1.00 H new ATOM 0 H4' DC B 1 -2.499 30.108 8.792 1.00 1.00 H new ATOM 0 H3' DC B 1 -0.494 28.945 7.176 1.00 1.00 H new ATOM 0 H2' DC B 1 -0.873 26.681 7.759 1.00 1.00 H new ATOM 0 H2'' DC B 1 0.107 27.144 9.136 1.00 1.00 H new ATOM 0 HO5' DC B 1 -3.392 28.223 5.262 1.00 1.00 H new ATOM 0 H1' DC B 1 -1.703 27.338 10.559 1.00 1.00 H new ATOM 0 H41 DC B 1 -4.685 21.804 8.573 1.00 1.00 H new ATOM 0 H42 DC B 1 -4.676 21.821 10.340 1.00 1.00 H new ATOM 0 H5 DC B 1 -3.774 23.615 7.257 1.00 1.00 H new ATOM 0 H6 DC B 1 -2.718 25.819 7.371 1.00 1.00 H new ATOM 791 P DG B 2 1.497 29.690 9.009 1.00 1.00 P ATOM 792 OP1 DG B 2 1.956 31.060 9.376 1.00 1.00 O ATOM 793 OP2 DG B 2 1.996 29.099 7.736 1.00 1.00 O ATOM 794 O5' DG B 2 1.869 28.675 10.223 1.00 1.00 O ATOM 795 C5' DG B 2 1.633 29.030 11.585 1.00 1.00 C ATOM 796 C4' DG B 2 2.078 27.966 12.610 1.00 1.00 C ATOM 797 O4' DG B 2 1.156 26.873 12.653 1.00 1.00 O ATOM 798 C3' DG B 2 3.489 27.408 12.338 1.00 1.00 C ATOM 799 O3' DG B 2 4.243 27.384 13.551 1.00 1.00 O ATOM 800 C2' DG B 2 3.154 26.030 11.770 1.00 1.00 C ATOM 801 C1' DG B 2 1.886 25.661 12.540 1.00 1.00 C ATOM 802 N9 DG B 2 1.072 24.636 11.856 1.00 1.00 N ATOM 803 C8 DG B 2 0.720 24.602 10.536 1.00 1.00 C ATOM 804 N7 DG B 2 -0.061 23.611 10.203 1.00 1.00 N ATOM 805 C5 DG B 2 -0.211 22.904 11.407 1.00 1.00 C ATOM 806 C6 DG B 2 -0.940 21.701 11.722 1.00 1.00 C ATOM 807 O6 DG B 2 -1.682 21.027 11.007 1.00 1.00 O ATOM 808 N1 DG B 2 -0.768 21.275 13.021 1.00 1.00 N ATOM 809 C2 DG B 2 -0.028 21.943 13.934 1.00 1.00 C ATOM 810 N2 DG B 2 0.036 21.414 15.125 1.00 1.00 N ATOM 811 N3 DG B 2 0.627 23.081 13.712 1.00 1.00 N ATOM 812 C4 DG B 2 0.506 23.511 12.418 1.00 1.00 C ATOM 0 H5' DG B 2 0.568 29.221 11.718 1.00 1.00 H new ATOM 0 H5'' DG B 2 2.154 29.963 11.800 1.00 1.00 H new ATOM 0 H4' DG B 2 2.099 28.483 13.570 1.00 1.00 H new ATOM 0 H3' DG B 2 4.118 27.985 11.660 1.00 1.00 H new ATOM 0 H2' DG B 2 2.981 26.064 10.694 1.00 1.00 H new ATOM 0 H2'' DG B 2 3.957 25.313 11.941 1.00 1.00 H new ATOM 0 H1' DG B 2 2.143 25.224 13.505 1.00 1.00 H new ATOM 0 H8 DG B 2 1.062 25.338 9.824 1.00 1.00 H new ATOM 0 H1 DG B 2 -1.224 20.409 13.309 1.00 1.00 H new ATOM 0 H21 DG B 2 0.579 21.871 15.858 1.00 1.00 H new ATOM 0 H22 DG B 2 -0.457 20.543 15.323 1.00 1.00 H new ATOM 824 P DC B 3 5.783 26.865 13.626 1.00 1.00 P ATOM 825 OP1 DC B 3 6.480 27.660 14.677 1.00 1.00 O ATOM 826 OP2 DC B 3 6.368 26.843 12.254 1.00 1.00 O ATOM 827 O5' DC B 3 5.634 25.335 14.144 1.00 1.00 O ATOM 828 C5' DC B 3 5.174 25.062 15.467 1.00 1.00 C ATOM 829 C4' DC B 3 4.987 23.567 15.770 1.00 1.00 C ATOM 830 O4' DC B 3 3.922 23.045 14.987 1.00 1.00 O ATOM 831 C3' DC B 3 6.253 22.722 15.534 1.00 1.00 C ATOM 832 O3' DC B 3 6.724 22.188 16.776 1.00 1.00 O ATOM 833 C2' DC B 3 5.787 21.642 14.555 1.00 1.00 C ATOM 834 C1' DC B 3 4.260 21.741 14.556 1.00 1.00 C ATOM 835 N1 DC B 3 3.684 21.517 13.209 1.00 1.00 N ATOM 836 C2 DC B 3 2.833 20.431 12.988 1.00 1.00 C ATOM 837 O2 DC B 3 2.582 19.599 13.863 1.00 1.00 O ATOM 838 N3 DC B 3 2.244 20.252 11.782 1.00 1.00 N ATOM 839 C4 DC B 3 2.520 21.104 10.820 1.00 1.00 C ATOM 840 N4 DC B 3 1.908 20.879 9.693 1.00 1.00 N ATOM 841 C5 DC B 3 3.404 22.212 10.971 1.00 1.00 C ATOM 842 C6 DC B 3 3.971 22.386 12.193 1.00 1.00 C ATOM 0 H5' DC B 3 4.225 25.575 15.623 1.00 1.00 H new ATOM 0 H5'' DC B 3 5.884 25.480 16.181 1.00 1.00 H new ATOM 0 H4' DC B 3 4.758 23.500 16.834 1.00 1.00 H new ATOM 0 H3' DC B 3 7.096 23.283 15.131 1.00 1.00 H new ATOM 0 H2' DC B 3 6.193 21.811 13.558 1.00 1.00 H new ATOM 0 H2'' DC B 3 6.119 20.653 14.871 1.00 1.00 H new ATOM 0 H1' DC B 3 3.857 20.972 15.215 1.00 1.00 H new ATOM 0 H41 DC B 3 2.067 21.494 8.895 1.00 1.00 H new ATOM 0 H42 DC B 3 1.270 20.088 9.608 1.00 1.00 H new ATOM 0 H5 DC B 3 3.613 22.883 10.151 1.00 1.00 H new ATOM 0 H6 DC B 3 4.648 23.210 12.362 1.00 1.00 H new ATOM 854 P DA B 4 8.142 21.403 16.919 1.00 1.00 P ATOM 855 OP1 DA B 4 8.508 21.387 18.364 1.00 1.00 O ATOM 856 OP2 DA B 4 9.118 21.982 15.953 1.00 1.00 O ATOM 857 O5' DA B 4 7.804 19.882 16.459 1.00 1.00 O ATOM 858 C5' DA B 4 6.897 19.073 17.210 1.00 1.00 C ATOM 859 C4' DA B 4 6.566 17.723 16.549 1.00 1.00 C ATOM 860 O4' DA B 4 5.655 17.868 15.460 1.00 1.00 O ATOM 861 C3' DA B 4 7.811 16.958 16.045 1.00 1.00 C ATOM 862 O3' DA B 4 7.864 15.664 16.642 1.00 1.00 O ATOM 863 C2' DA B 4 7.577 16.960 14.536 1.00 1.00 C ATOM 864 C1' DA B 4 6.057 16.970 14.441 1.00 1.00 C ATOM 865 N9 DA B 4 5.592 17.472 13.137 1.00 1.00 N ATOM 866 C8 DA B 4 5.967 18.642 12.542 1.00 1.00 C ATOM 867 N7 DA B 4 5.352 18.908 11.420 1.00 1.00 N ATOM 868 C5 DA B 4 4.542 17.773 11.245 1.00 1.00 C ATOM 869 C6 DA B 4 3.629 17.341 10.254 1.00 1.00 C ATOM 870 N6 DA B 4 3.297 18.065 9.206 1.00 1.00 N ATOM 871 N1 DA B 4 3.037 16.146 10.311 1.00 1.00 N ATOM 872 C2 DA B 4 3.310 15.382 11.360 1.00 1.00 C ATOM 873 N3 DA B 4 4.118 15.651 12.381 1.00 1.00 N ATOM 874 C4 DA B 4 4.707 16.877 12.266 1.00 1.00 C ATOM 0 H5' DA B 4 5.971 19.628 17.361 1.00 1.00 H new ATOM 0 H5'' DA B 4 7.323 18.888 18.196 1.00 1.00 H new ATOM 0 H4' DA B 4 6.105 17.139 17.345 1.00 1.00 H new ATOM 0 H3' DA B 4 8.779 17.390 16.301 1.00 1.00 H new ATOM 0 H2' DA B 4 8.020 17.834 14.057 1.00 1.00 H new ATOM 0 H2'' DA B 4 8.008 16.081 14.057 1.00 1.00 H new ATOM 0 H1' DA B 4 5.644 15.967 14.548 1.00 1.00 H new ATOM 0 H8 DA B 4 6.714 19.297 12.966 1.00 1.00 H new ATOM 0 H61 DA B 4 2.632 17.700 8.524 1.00 1.00 H new ATOM 0 H62 DA B 4 3.704 18.991 9.076 1.00 1.00 H new ATOM 0 H2 DA B 4 2.815 14.423 11.388 1.00 1.00 H new ATOM 886 P DT B 5 9.151 14.685 16.491 1.00 1.00 P ATOM 887 OP1 DT B 5 9.154 13.746 17.650 1.00 1.00 O ATOM 888 OP2 DT B 5 10.370 15.509 16.251 1.00 1.00 O ATOM 889 O5' DT B 5 8.836 13.841 15.148 1.00 1.00 O ATOM 890 C5' DT B 5 7.782 12.884 15.118 1.00 1.00 C ATOM 891 C4' DT B 5 7.570 12.250 13.735 1.00 1.00 C ATOM 892 O4' DT B 5 6.974 13.179 12.836 1.00 1.00 O ATOM 893 C3' DT B 5 8.861 11.703 13.096 1.00 1.00 C ATOM 894 O3' DT B 5 8.711 10.311 12.835 1.00 1.00 O ATOM 895 C2' DT B 5 8.993 12.577 11.846 1.00 1.00 C ATOM 896 C1' DT B 5 7.546 12.977 11.560 1.00 1.00 C ATOM 897 N1 DT B 5 7.379 14.210 10.737 1.00 1.00 N ATOM 898 C2 DT B 5 6.479 14.160 9.666 1.00 1.00 C ATOM 899 O2 DT B 5 5.899 13.137 9.315 1.00 1.00 O ATOM 900 N3 DT B 5 6.257 15.326 8.976 1.00 1.00 N ATOM 901 C4 DT B 5 6.917 16.513 9.196 1.00 1.00 C ATOM 902 O4 DT B 5 6.627 17.478 8.495 1.00 1.00 O ATOM 903 C5 DT B 5 7.908 16.482 10.270 1.00 1.00 C ATOM 904 C7 DT B 5 8.762 17.699 10.563 1.00 1.00 C ATOM 905 C6 DT B 5 8.088 15.360 11.012 1.00 1.00 C ATOM 0 H5' DT B 5 6.856 13.365 15.434 1.00 1.00 H new ATOM 0 H5'' DT B 5 7.996 12.097 15.841 1.00 1.00 H new ATOM 0 H4' DT B 5 6.906 11.403 13.909 1.00 1.00 H new ATOM 0 H3' DT B 5 9.760 11.757 13.710 1.00 1.00 H new ATOM 0 H2' DT B 5 9.625 13.447 12.025 1.00 1.00 H new ATOM 0 H2'' DT B 5 9.433 12.029 11.013 1.00 1.00 H new ATOM 0 H1' DT B 5 7.072 12.196 10.966 1.00 1.00 H new ATOM 0 H3 DT B 5 5.548 15.311 8.243 1.00 1.00 H new ATOM 0 H71 DT B 5 9.018 17.718 11.622 1.00 1.00 H new ATOM 0 H72 DT B 5 9.675 17.654 9.970 1.00 1.00 H new ATOM 0 H73 DT B 5 8.208 18.602 10.308 1.00 1.00 H new ATOM 0 H6 DT B 5 8.795 15.368 11.828 1.00 1.00 H new ATOM 918 P DA B 6 9.868 9.405 12.141 1.00 1.00 P ATOM 919 OP1 DA B 6 9.835 8.052 12.768 1.00 1.00 O ATOM 920 OP2 DA B 6 11.159 10.154 12.131 1.00 1.00 O ATOM 921 O5' DA B 6 9.329 9.285 10.615 1.00 1.00 O ATOM 922 C5' DA B 6 8.103 8.609 10.343 1.00 1.00 C ATOM 923 C4' DA B 6 7.720 8.550 8.859 1.00 1.00 C ATOM 924 O4' DA B 6 7.308 9.835 8.393 1.00 1.00 O ATOM 925 C3' DA B 6 8.850 8.030 7.958 1.00 1.00 C ATOM 926 O3' DA B 6 8.314 7.063 7.059 1.00 1.00 O ATOM 927 C2' DA B 6 9.356 9.320 7.325 1.00 1.00 C ATOM 928 C1' DA B 6 8.122 10.219 7.297 1.00 1.00 C ATOM 929 N9 DA B 6 8.468 11.650 7.405 1.00 1.00 N ATOM 930 C8 DA B 6 9.429 12.231 8.194 1.00 1.00 C ATOM 931 N7 DA B 6 9.576 13.518 8.026 1.00 1.00 N ATOM 932 C5 DA B 6 8.632 13.799 7.026 1.00 1.00 C ATOM 933 C6 DA B 6 8.249 14.963 6.317 1.00 1.00 C ATOM 934 N6 DA B 6 8.782 16.159 6.494 1.00 1.00 N ATOM 935 N1 DA B 6 7.305 14.923 5.383 1.00 1.00 N ATOM 936 C2 DA B 6 6.725 13.757 5.130 1.00 1.00 C ATOM 937 N3 DA B 6 6.965 12.587 5.709 1.00 1.00 N ATOM 938 C4 DA B 6 7.942 12.674 6.655 1.00 1.00 C ATOM 0 H5' DA B 6 7.302 9.104 10.892 1.00 1.00 H new ATOM 0 H5'' DA B 6 8.172 7.591 10.727 1.00 1.00 H new ATOM 0 H4' DA B 6 6.895 7.840 8.794 1.00 1.00 H new ATOM 0 H3' DA B 6 9.669 7.498 8.441 1.00 1.00 H new ATOM 0 H2' DA B 6 10.161 9.764 7.910 1.00 1.00 H new ATOM 0 H2'' DA B 6 9.748 9.147 6.323 1.00 1.00 H new ATOM 0 H1' DA B 6 7.606 10.098 6.345 1.00 1.00 H new ATOM 0 H8 DA B 6 10.019 11.667 8.901 1.00 1.00 H new ATOM 0 H61 DA B 6 8.451 16.951 5.943 1.00 1.00 H new ATOM 0 H62 DA B 6 9.524 16.290 7.182 1.00 1.00 H new ATOM 0 H2 DA B 6 5.967 13.760 4.361 1.00 1.00 H new ATOM 950 P DT B 7 9.167 6.381 5.858 1.00 1.00 P ATOM 951 OP1 DT B 7 8.555 5.057 5.548 1.00 1.00 O ATOM 952 OP2 DT B 7 10.622 6.437 6.185 1.00 1.00 O ATOM 953 O5' DT B 7 8.861 7.396 4.633 1.00 1.00 O ATOM 954 C5' DT B 7 7.518 7.615 4.220 1.00 1.00 C ATOM 955 C4' DT B 7 7.363 8.751 3.203 1.00 1.00 C ATOM 956 O4' DT B 7 7.760 9.988 3.773 1.00 1.00 O ATOM 957 C3' DT B 7 8.159 8.534 1.905 1.00 1.00 C ATOM 958 O3' DT B 7 7.302 8.762 0.794 1.00 1.00 O ATOM 959 C2' DT B 7 9.235 9.605 2.025 1.00 1.00 C ATOM 960 C1' DT B 7 8.465 10.687 2.769 1.00 1.00 C ATOM 961 N1 DT B 7 9.345 11.721 3.361 1.00 1.00 N ATOM 962 C2 DT B 7 9.174 13.049 2.960 1.00 1.00 C ATOM 963 O2 DT B 7 8.385 13.415 2.089 1.00 1.00 O ATOM 964 N3 DT B 7 9.959 13.984 3.585 1.00 1.00 N ATOM 965 C4 DT B 7 10.942 13.728 4.505 1.00 1.00 C ATOM 966 O4 DT B 7 11.581 14.684 4.945 1.00 1.00 O ATOM 967 C5 DT B 7 11.112 12.314 4.843 1.00 1.00 C ATOM 968 C7 DT B 7 12.182 11.887 5.833 1.00 1.00 C ATOM 969 C6 DT B 7 10.320 11.369 4.271 1.00 1.00 C ATOM 0 H5' DT B 7 6.910 7.839 5.096 1.00 1.00 H new ATOM 0 H5'' DT B 7 7.126 6.695 3.786 1.00 1.00 H new ATOM 0 H4' DT B 7 6.305 8.763 2.942 1.00 1.00 H new ATOM 0 H3' DT B 7 8.571 7.535 1.765 1.00 1.00 H new ATOM 0 H2' DT B 7 10.105 9.258 2.582 1.00 1.00 H new ATOM 0 H2'' DT B 7 9.593 9.944 1.053 1.00 1.00 H new ATOM 0 H1' DT B 7 7.812 11.239 2.093 1.00 1.00 H new ATOM 0 H3 DT B 7 9.796 14.961 3.342 1.00 1.00 H new ATOM 0 H71 DT B 7 11.856 10.987 6.355 1.00 1.00 H new ATOM 0 H72 DT B 7 13.110 11.681 5.300 1.00 1.00 H new ATOM 0 H73 DT B 7 12.348 12.686 6.556 1.00 1.00 H new ATOM 0 H6 DT B 7 10.456 10.330 4.532 1.00 1.00 H new ATOM 982 P DA B 8 7.535 8.085 -0.650 1.00 1.00 P ATOM 983 OP1 DA B 8 6.235 8.131 -1.366 1.00 1.00 O ATOM 984 OP2 DA B 8 8.168 6.755 -0.446 1.00 1.00 O ATOM 985 O5' DA B 8 8.573 9.068 -1.388 1.00 1.00 O ATOM 986 C5' DA B 8 8.095 10.203 -2.101 1.00 1.00 C ATOM 987 C4' DA B 8 9.196 11.164 -2.577 1.00 1.00 C ATOM 988 O4' DA B 8 9.615 11.999 -1.511 1.00 1.00 O ATOM 989 C3' DA B 8 10.449 10.498 -3.182 1.00 1.00 C ATOM 990 O3' DA B 8 10.496 10.722 -4.590 1.00 1.00 O ATOM 991 C2' DA B 8 11.587 11.171 -2.409 1.00 1.00 C ATOM 992 C1' DA B 8 10.939 12.396 -1.783 1.00 1.00 C ATOM 993 N9 DA B 8 11.567 12.828 -0.513 1.00 1.00 N ATOM 994 C8 DA B 8 11.840 12.104 0.625 1.00 1.00 C ATOM 995 N7 DA B 8 12.359 12.803 1.601 1.00 1.00 N ATOM 996 C5 DA B 8 12.436 14.094 1.054 1.00 1.00 C ATOM 997 C6 DA B 8 12.863 15.370 1.508 1.00 1.00 C ATOM 998 N6 DA B 8 13.295 15.667 2.721 1.00 1.00 N ATOM 999 N1 DA B 8 12.798 16.441 0.719 1.00 1.00 N ATOM 1000 C2 DA B 8 12.313 16.286 -0.496 1.00 1.00 C ATOM 1001 N3 DA B 8 11.870 15.178 -1.067 1.00 1.00 N ATOM 1002 C4 DA B 8 11.961 14.108 -0.232 1.00 1.00 C ATOM 0 H5' DA B 8 7.402 10.752 -1.464 1.00 1.00 H new ATOM 0 H5'' DA B 8 7.529 9.861 -2.967 1.00 1.00 H new ATOM 0 H4' DA B 8 8.725 11.727 -3.383 1.00 1.00 H new ATOM 0 H3' DA B 8 10.487 9.413 -3.087 1.00 1.00 H new ATOM 0 H2' DA B 8 12.000 10.507 -1.650 1.00 1.00 H new ATOM 0 H2'' DA B 8 12.408 11.449 -3.070 1.00 1.00 H new ATOM 0 H1' DA B 8 11.034 13.243 -2.463 1.00 1.00 H new ATOM 0 H8 DA B 8 11.642 11.045 0.706 1.00 1.00 H new ATOM 0 H61 DA B 8 13.579 16.622 2.942 1.00 1.00 H new ATOM 0 H62 DA B 8 13.345 14.942 3.436 1.00 1.00 H new ATOM 0 H2 DA B 8 12.272 17.178 -1.104 1.00 1.00 H new ATOM 1014 P DT B 9 11.719 10.184 -5.528 1.00 1.00 P ATOM 1015 OP1 DT B 9 11.124 9.651 -6.782 1.00 1.00 O ATOM 1016 OP2 DT B 9 12.646 9.320 -4.747 1.00 1.00 O ATOM 1017 O5' DT B 9 12.459 11.580 -5.864 1.00 1.00 O ATOM 1018 C5' DT B 9 11.759 12.601 -6.564 1.00 1.00 C ATOM 1019 C4' DT B 9 12.562 13.896 -6.762 1.00 1.00 C ATOM 1020 O4' DT B 9 12.733 14.557 -5.516 1.00 1.00 O ATOM 1021 C3' DT B 9 13.927 13.655 -7.415 1.00 1.00 C ATOM 1022 O3' DT B 9 14.091 14.523 -8.534 1.00 1.00 O ATOM 1023 C2' DT B 9 14.878 13.903 -6.250 1.00 1.00 C ATOM 1024 C1' DT B 9 14.101 14.848 -5.333 1.00 1.00 C ATOM 1025 N1 DT B 9 14.450 14.694 -3.896 1.00 1.00 N ATOM 1026 C2 DT B 9 14.774 15.847 -3.163 1.00 1.00 C ATOM 1027 O2 DT B 9 14.739 16.992 -3.619 1.00 1.00 O ATOM 1028 N3 DT B 9 15.156 15.657 -1.854 1.00 1.00 N ATOM 1029 C4 DT B 9 15.226 14.446 -1.207 1.00 1.00 C ATOM 1030 O4 DT B 9 15.536 14.432 -0.019 1.00 1.00 O ATOM 1031 C5 DT B 9 14.882 13.284 -2.026 1.00 1.00 C ATOM 1032 C7 DT B 9 14.974 11.890 -1.434 1.00 1.00 C ATOM 1033 C6 DT B 9 14.491 13.443 -3.316 1.00 1.00 C ATOM 0 H5' DT B 9 10.843 12.835 -6.022 1.00 1.00 H new ATOM 0 H5'' DT B 9 11.462 12.218 -7.541 1.00 1.00 H new ATOM 0 H4' DT B 9 11.988 14.524 -7.443 1.00 1.00 H new ATOM 0 H3' DT B 9 14.089 12.667 -7.846 1.00 1.00 H new ATOM 0 H2' DT B 9 15.136 12.975 -5.740 1.00 1.00 H new ATOM 0 H2'' DT B 9 15.813 14.352 -6.586 1.00 1.00 H new ATOM 0 H1' DT B 9 14.352 15.876 -5.595 1.00 1.00 H new ATOM 0 H3 DT B 9 15.409 16.487 -1.318 1.00 1.00 H new ATOM 0 H71 DT B 9 15.756 11.868 -0.675 1.00 1.00 H new ATOM 0 H72 DT B 9 14.020 11.624 -0.979 1.00 1.00 H new ATOM 0 H73 DT B 9 15.212 11.175 -2.222 1.00 1.00 H new ATOM 0 H6 DT B 9 14.208 12.578 -3.897 1.00 1.00 H new ATOM 1046 P DG B 10 15.465 14.625 -9.389 1.00 1.00 P ATOM 1047 OP1 DG B 10 15.122 15.009 -10.785 1.00 1.00 O ATOM 1048 OP2 DG B 10 16.285 13.400 -9.173 1.00 1.00 O ATOM 1049 O5' DG B 10 16.214 15.881 -8.693 1.00 1.00 O ATOM 1050 C5' DG B 10 15.625 17.181 -8.719 1.00 1.00 C ATOM 1051 C4' DG B 10 16.491 18.281 -8.081 1.00 1.00 C ATOM 1052 O4' DG B 10 16.529 18.137 -6.663 1.00 1.00 O ATOM 1053 C3' DG B 10 17.933 18.289 -8.617 1.00 1.00 C ATOM 1054 O3' DG B 10 18.348 19.634 -8.865 1.00 1.00 O ATOM 1055 C2' DG B 10 18.668 17.593 -7.473 1.00 1.00 C ATOM 1056 C1' DG B 10 17.885 18.060 -6.249 1.00 1.00 C ATOM 1057 N9 DG B 10 18.022 17.133 -5.108 1.00 1.00 N ATOM 1058 C8 DG B 10 17.895 15.773 -5.131 1.00 1.00 C ATOM 1059 N7 DG B 10 17.998 15.192 -3.966 1.00 1.00 N ATOM 1060 C5 DG B 10 18.270 16.265 -3.102 1.00 1.00 C ATOM 1061 C6 DG B 10 18.526 16.303 -1.683 1.00 1.00 C ATOM 1062 O6 DG B 10 18.476 15.389 -0.858 1.00 1.00 O ATOM 1063 N1 DG B 10 18.877 17.551 -1.223 1.00 1.00 N ATOM 1064 C2 DG B 10 18.921 18.651 -2.004 1.00 1.00 C ATOM 1065 N2 DG B 10 19.289 19.757 -1.421 1.00 1.00 N ATOM 1066 N3 DG B 10 18.635 18.688 -3.306 1.00 1.00 N ATOM 1067 C4 DG B 10 18.328 17.452 -3.804 1.00 1.00 C ATOM 0 H5' DG B 10 14.667 17.143 -8.201 1.00 1.00 H new ATOM 0 H5'' DG B 10 15.418 17.453 -9.754 1.00 1.00 H new ATOM 0 H4' DG B 10 16.023 19.227 -8.351 1.00 1.00 H new ATOM 0 H3' DG B 10 18.104 17.793 -9.572 1.00 1.00 H new ATOM 0 H2' DG B 10 18.649 16.508 -7.578 1.00 1.00 H new ATOM 0 H2'' DG B 10 19.716 17.890 -7.423 1.00 1.00 H new ATOM 0 H1' DG B 10 18.266 19.019 -5.899 1.00 1.00 H new ATOM 0 H8 DG B 10 17.723 15.221 -6.043 1.00 1.00 H new ATOM 0 H1 DG B 10 19.117 17.651 -0.237 1.00 1.00 H new ATOM 0 H21 DG B 10 19.342 20.623 -1.957 1.00 1.00 H new ATOM 0 H22 DG B 10 19.524 19.757 -0.428 1.00 1.00 H new ATOM 1079 P DC B 11 19.800 20.020 -9.491 1.00 1.00 P ATOM 1080 OP1 DC B 11 19.599 21.139 -10.457 1.00 1.00 O ATOM 1081 OP2 DC B 11 20.482 18.786 -9.977 1.00 1.00 O ATOM 1082 O5' DC B 11 20.623 20.585 -8.210 1.00 1.00 O ATOM 1083 C5' DC B 11 20.208 21.780 -7.549 1.00 1.00 C ATOM 1084 C4' DC B 11 21.123 22.221 -6.390 1.00 1.00 C ATOM 1085 O4' DC B 11 21.006 21.321 -5.290 1.00 1.00 O ATOM 1086 C3' DC B 11 22.605 22.330 -6.793 1.00 1.00 C ATOM 1087 O3' DC B 11 23.173 23.537 -6.277 1.00 1.00 O ATOM 1088 C2' DC B 11 23.189 21.053 -6.188 1.00 1.00 C ATOM 1089 C1' DC B 11 22.282 20.791 -4.980 1.00 1.00 C ATOM 1090 N1 DC B 11 22.143 19.365 -4.591 1.00 1.00 N ATOM 1091 C2 DC B 11 22.278 18.988 -3.249 1.00 1.00 C ATOM 1092 O2 DC B 11 22.624 19.783 -2.372 1.00 1.00 O ATOM 1093 N3 DC B 11 22.048 17.712 -2.859 1.00 1.00 N ATOM 1094 C4 DC B 11 21.692 16.837 -3.775 1.00 1.00 C ATOM 1095 N4 DC B 11 21.409 15.642 -3.341 1.00 1.00 N ATOM 1096 C5 DC B 11 21.575 17.143 -5.158 1.00 1.00 C ATOM 1097 C6 DC B 11 21.809 18.429 -5.526 1.00 1.00 C ATOM 0 H5' DC B 11 19.199 21.635 -7.163 1.00 1.00 H new ATOM 0 H5'' DC B 11 20.157 22.586 -8.281 1.00 1.00 H new ATOM 0 H4' DC B 11 20.785 23.217 -6.105 1.00 1.00 H new ATOM 0 H3' DC B 11 22.798 22.395 -7.864 1.00 1.00 H new ATOM 0 H2' DC B 11 23.166 20.225 -6.896 1.00 1.00 H new ATOM 0 H2'' DC B 11 24.229 21.188 -5.889 1.00 1.00 H new ATOM 0 H1' DC B 11 22.748 21.271 -4.119 1.00 1.00 H new ATOM 0 H41 DC B 11 21.126 14.915 -3.998 1.00 1.00 H new ATOM 0 H42 DC B 11 21.471 15.434 -2.344 1.00 1.00 H new ATOM 0 H5 DC B 11 21.312 16.387 -5.883 1.00 1.00 H new ATOM 0 H6 DC B 11 21.730 18.713 -6.565 1.00 1.00 H new ATOM 1109 P DG B 12 24.638 24.080 -6.734 1.00 1.00 P ATOM 1110 OP1 DG B 12 24.708 25.533 -6.412 1.00 1.00 O ATOM 1111 OP2 DG B 12 24.899 23.658 -8.140 1.00 1.00 O ATOM 1112 O5' DG B 12 25.674 23.289 -5.769 1.00 1.00 O ATOM 1113 C5' DG B 12 25.761 23.594 -4.379 1.00 1.00 C ATOM 1114 C4' DG B 12 26.452 22.494 -3.557 1.00 1.00 C ATOM 1115 O4' DG B 12 25.655 21.323 -3.484 1.00 1.00 O ATOM 1116 C3' DG B 12 27.825 22.049 -4.086 1.00 1.00 C ATOM 1117 O3' DG B 12 28.895 22.762 -3.469 1.00 1.00 O ATOM 1118 C2' DG B 12 27.880 20.562 -3.726 1.00 1.00 C ATOM 1119 C1' DG B 12 26.509 20.264 -3.107 1.00 1.00 C ATOM 1120 N9 DG B 12 25.952 18.978 -3.563 1.00 1.00 N ATOM 1121 C8 DG B 12 25.644 18.614 -4.845 1.00 1.00 C ATOM 1122 N7 DG B 12 25.189 17.393 -4.966 1.00 1.00 N ATOM 1123 C5 DG B 12 25.214 16.906 -3.648 1.00 1.00 C ATOM 1124 C6 DG B 12 24.856 15.629 -3.083 1.00 1.00 C ATOM 1125 O6 DG B 12 24.421 14.614 -3.633 1.00 1.00 O ATOM 1126 N1 DG B 12 25.047 15.558 -1.720 1.00 1.00 N ATOM 1127 C2 DG B 12 25.552 16.564 -0.973 1.00 1.00 C ATOM 1128 N2 DG B 12 25.731 16.323 0.296 1.00 1.00 N ATOM 1129 N3 DG B 12 25.894 17.761 -1.438 1.00 1.00 N ATOM 1130 C4 DG B 12 25.694 17.874 -2.786 1.00 1.00 C ATOM 0 H5' DG B 12 24.757 23.755 -3.986 1.00 1.00 H new ATOM 0 H5'' DG B 12 26.307 24.529 -4.253 1.00 1.00 H new ATOM 0 H4' DG B 12 26.591 22.964 -2.583 1.00 1.00 H new ATOM 0 H3' DG B 12 27.938 22.241 -5.153 1.00 1.00 H new ATOM 0 H2' DG B 12 28.059 19.947 -4.608 1.00 1.00 H new ATOM 0 H2'' DG B 12 28.686 20.354 -3.023 1.00 1.00 H new ATOM 0 HO3' DG B 12 29.749 22.448 -3.832 1.00 1.00 H new ATOM 0 H1' DG B 12 26.607 20.185 -2.024 1.00 1.00 H new ATOM 0 H8 DG B 12 25.766 19.279 -5.687 1.00 1.00 H new ATOM 0 H1 DG B 12 24.791 14.692 -1.246 1.00 1.00 H new ATOM 0 H21 DG B 12 26.110 17.049 0.904 1.00 1.00 H new ATOM 0 H22 DG B 12 25.492 15.409 0.680 1.00 1.00 H new TER 1143 DG B 12 ATOM 1144 O5' DC C 13 23.593 8.107 3.556 1.00 1.00 O ATOM 1145 C5' DC C 13 24.931 8.271 4.037 1.00 1.00 C ATOM 1146 C4' DC C 13 25.367 9.737 4.225 1.00 1.00 C ATOM 1147 O4' DC C 13 25.429 10.413 2.971 1.00 1.00 O ATOM 1148 C3' DC C 13 24.408 10.502 5.148 1.00 1.00 C ATOM 1149 O3' DC C 13 25.138 11.297 6.087 1.00 1.00 O ATOM 1150 C2' DC C 13 23.598 11.328 4.147 1.00 1.00 C ATOM 1151 C1' DC C 13 24.624 11.582 3.042 1.00 1.00 C ATOM 1152 N1 DC C 13 24.067 11.896 1.700 1.00 1.00 N ATOM 1153 C2 DC C 13 24.578 12.971 0.961 1.00 1.00 C ATOM 1154 O2 DC C 13 25.401 13.760 1.428 1.00 1.00 O ATOM 1155 N3 DC C 13 24.186 13.186 -0.320 1.00 1.00 N ATOM 1156 C4 DC C 13 23.275 12.386 -0.833 1.00 1.00 C ATOM 1157 N4 DC C 13 22.973 12.603 -2.085 1.00 1.00 N ATOM 1158 C5 DC C 13 22.696 11.296 -0.124 1.00 1.00 C ATOM 1159 C6 DC C 13 23.125 11.083 1.141 1.00 1.00 C ATOM 0 H5' DC C 13 25.616 7.788 3.340 1.00 1.00 H new ATOM 0 H5'' DC C 13 25.027 7.751 4.990 1.00 1.00 H new ATOM 0 H4' DC C 13 26.356 9.713 4.683 1.00 1.00 H new ATOM 0 H3' DC C 13 23.774 9.876 5.776 1.00 1.00 H new ATOM 0 H2' DC C 13 22.728 10.785 3.779 1.00 1.00 H new ATOM 0 H2'' DC C 13 23.232 12.256 4.585 1.00 1.00 H new ATOM 0 HO5' DC C 13 23.394 7.152 3.462 1.00 1.00 H new ATOM 0 H1' DC C 13 25.179 12.482 3.308 1.00 1.00 H new ATOM 0 H41 DC C 13 22.275 12.022 -2.549 1.00 1.00 H new ATOM 0 H42 DC C 13 23.435 13.354 -2.598 1.00 1.00 H new ATOM 0 H5 DC C 13 21.945 10.665 -0.577 1.00 1.00 H new ATOM 0 H6 DC C 13 22.718 10.262 1.713 1.00 1.00 H new ATOM 1172 P DG C 14 24.415 12.111 7.293 1.00 1.00 P ATOM 1173 OP1 DG C 14 25.305 12.027 8.485 1.00 1.00 O ATOM 1174 OP2 DG C 14 23.011 11.631 7.431 1.00 1.00 O ATOM 1175 O5' DG C 14 24.368 13.656 6.783 1.00 1.00 O ATOM 1176 C5' DG C 14 25.545 14.467 6.760 1.00 1.00 C ATOM 1177 C4' DG C 14 25.301 15.964 6.468 1.00 1.00 C ATOM 1178 O4' DG C 14 25.062 16.182 5.076 1.00 1.00 O ATOM 1179 C3' DG C 14 24.127 16.562 7.266 1.00 1.00 C ATOM 1180 O3' DG C 14 24.486 17.860 7.747 1.00 1.00 O ATOM 1181 C2' DG C 14 23.019 16.549 6.211 1.00 1.00 C ATOM 1182 C1' DG C 14 23.777 16.768 4.904 1.00 1.00 C ATOM 1183 N9 DG C 14 23.120 16.151 3.737 1.00 1.00 N ATOM 1184 C8 DG C 14 22.551 14.910 3.662 1.00 1.00 C ATOM 1185 N7 DG C 14 22.111 14.581 2.477 1.00 1.00 N ATOM 1186 C5 DG C 14 22.380 15.723 1.711 1.00 1.00 C ATOM 1187 C6 DG C 14 22.116 16.028 0.328 1.00 1.00 C ATOM 1188 O6 DG C 14 21.626 15.317 -0.547 1.00 1.00 O ATOM 1189 N1 DG C 14 22.467 17.309 -0.034 1.00 1.00 N ATOM 1190 C2 DG C 14 23.052 18.190 0.806 1.00 1.00 C ATOM 1191 N2 DG C 14 23.342 19.363 0.312 1.00 1.00 N ATOM 1192 N3 DG C 14 23.354 17.952 2.081 1.00 1.00 N ATOM 1193 C4 DG C 14 22.979 16.697 2.481 1.00 1.00 C ATOM 0 H5' DG C 14 26.226 14.072 6.006 1.00 1.00 H new ATOM 0 H5'' DG C 14 26.049 14.377 7.723 1.00 1.00 H new ATOM 0 H4' DG C 14 26.213 16.471 6.784 1.00 1.00 H new ATOM 0 H3' DG C 14 23.827 16.032 8.170 1.00 1.00 H new ATOM 0 H2' DG C 14 22.477 15.603 6.208 1.00 1.00 H new ATOM 0 H2'' DG C 14 22.286 17.336 6.388 1.00 1.00 H new ATOM 0 H1' DG C 14 23.820 17.838 4.700 1.00 1.00 H new ATOM 0 H8 DG C 14 22.472 14.253 4.516 1.00 1.00 H new ATOM 0 H1 DG C 14 22.275 17.609 -0.990 1.00 1.00 H new ATOM 0 H21 DG C 14 23.785 20.069 0.900 1.00 1.00 H new ATOM 0 H22 DG C 14 23.126 19.574 -0.662 1.00 1.00 H new ATOM 1205 P DC C 15 23.498 18.775 8.659 1.00 1.00 P ATOM 1206 OP1 DC C 15 24.342 19.762 9.393 1.00 1.00 O ATOM 1207 OP2 DC C 15 22.601 17.885 9.448 1.00 1.00 O ATOM 1208 O5' DC C 15 22.604 19.576 7.570 1.00 1.00 O ATOM 1209 C5' DC C 15 23.208 20.505 6.673 1.00 1.00 C ATOM 1210 C4' DC C 15 22.333 20.841 5.454 1.00 1.00 C ATOM 1211 O4' DC C 15 22.099 19.697 4.652 1.00 1.00 O ATOM 1212 C3' DC C 15 20.964 21.456 5.787 1.00 1.00 C ATOM 1213 O3' DC C 15 21.048 22.881 5.736 1.00 1.00 O ATOM 1214 C2' DC C 15 20.047 20.836 4.723 1.00 1.00 C ATOM 1215 C1' DC C 15 20.966 19.980 3.858 1.00 1.00 C ATOM 1216 N1 DC C 15 20.309 18.730 3.414 1.00 1.00 N ATOM 1217 C2 DC C 15 19.920 18.584 2.076 1.00 1.00 C ATOM 1218 O2 DC C 15 20.040 19.490 1.250 1.00 1.00 O ATOM 1219 N3 DC C 15 19.401 17.418 1.632 1.00 1.00 N ATOM 1220 C4 DC C 15 19.243 16.439 2.497 1.00 1.00 C ATOM 1221 N4 DC C 15 18.764 15.335 2.000 1.00 1.00 N ATOM 1222 C5 DC C 15 19.572 16.541 3.882 1.00 1.00 C ATOM 1223 C6 DC C 15 20.099 17.716 4.304 1.00 1.00 C ATOM 0 H5' DC C 15 24.158 20.098 6.327 1.00 1.00 H new ATOM 0 H5'' DC C 15 23.433 21.425 7.213 1.00 1.00 H new ATOM 0 H4' DC C 15 22.917 21.592 4.922 1.00 1.00 H new ATOM 0 H3' DC C 15 20.590 21.250 6.790 1.00 1.00 H new ATOM 0 H2' DC C 15 19.263 20.234 5.181 1.00 1.00 H new ATOM 0 H2'' DC C 15 19.553 21.606 4.131 1.00 1.00 H new ATOM 0 H1' DC C 15 21.235 20.512 2.945 1.00 1.00 H new ATOM 0 H41 DC C 15 18.611 14.528 2.604 1.00 1.00 H new ATOM 0 H42 DC C 15 18.541 15.278 1.006 1.00 1.00 H new ATOM 0 H5 DC C 15 19.408 15.719 4.563 1.00 1.00 H new ATOM 0 H6 DC C 15 20.353 17.850 5.345 1.00 1.00 H new ATOM 1235 P DA C 16 19.779 23.864 5.995 1.00 1.00 P ATOM 1236 OP1 DA C 16 20.310 25.225 6.294 1.00 1.00 O ATOM 1237 OP2 DA C 16 18.866 23.230 6.988 1.00 1.00 O ATOM 1238 O5' DA C 16 19.016 23.920 4.561 1.00 1.00 O ATOM 1239 C5' DA C 16 19.696 24.354 3.383 1.00 1.00 C ATOM 1240 C4' DA C 16 18.847 24.280 2.099 1.00 1.00 C ATOM 1241 O4' DA C 16 18.657 22.935 1.654 1.00 1.00 O ATOM 1242 C3' DA C 16 17.464 24.941 2.263 1.00 1.00 C ATOM 1243 O3' DA C 16 17.201 25.814 1.163 1.00 1.00 O ATOM 1244 C2' DA C 16 16.567 23.705 2.346 1.00 1.00 C ATOM 1245 C1' DA C 16 17.274 22.727 1.414 1.00 1.00 C ATOM 1246 N9 DA C 16 16.937 21.329 1.722 1.00 1.00 N ATOM 1247 C8 DA C 16 17.023 20.734 2.949 1.00 1.00 C ATOM 1248 N7 DA C 16 16.799 19.445 2.948 1.00 1.00 N ATOM 1249 C5 DA C 16 16.469 19.201 1.605 1.00 1.00 C ATOM 1250 C6 DA C 16 16.072 18.057 0.870 1.00 1.00 C ATOM 1251 N6 DA C 16 15.999 16.844 1.373 1.00 1.00 N ATOM 1252 N1 DA C 16 15.706 18.134 -0.412 1.00 1.00 N ATOM 1253 C2 DA C 16 15.747 19.327 -0.988 1.00 1.00 C ATOM 1254 N3 DA C 16 16.148 20.480 -0.455 1.00 1.00 N ATOM 1255 C4 DA C 16 16.499 20.349 0.858 1.00 1.00 C ATOM 0 H5' DA C 16 20.591 23.746 3.249 1.00 1.00 H new ATOM 0 H5'' DA C 16 20.028 25.382 3.527 1.00 1.00 H new ATOM 0 H4' DA C 16 19.417 24.832 1.352 1.00 1.00 H new ATOM 0 H3' DA C 16 17.331 25.596 3.124 1.00 1.00 H new ATOM 0 H2' DA C 16 16.498 23.320 3.363 1.00 1.00 H new ATOM 0 H2'' DA C 16 15.550 23.918 2.017 1.00 1.00 H new ATOM 0 H1' DA C 16 16.979 22.897 0.379 1.00 1.00 H new ATOM 0 H8 DA C 16 17.257 21.284 3.848 1.00 1.00 H new ATOM 0 H61 DA C 16 15.705 16.065 0.784 1.00 1.00 H new ATOM 0 H62 DA C 16 16.237 16.683 2.352 1.00 1.00 H new ATOM 0 H2 DA C 16 15.415 19.369 -2.015 1.00 1.00 H new ATOM 1267 P DT C 17 15.881 26.757 1.086 1.00 1.00 P ATOM 1268 OP1 DT C 17 16.189 27.891 0.167 1.00 1.00 O ATOM 1269 OP2 DT C 17 15.423 27.075 2.469 1.00 1.00 O ATOM 1270 O5' DT C 17 14.767 25.811 0.383 1.00 1.00 O ATOM 1271 C5' DT C 17 14.921 25.383 -0.967 1.00 1.00 C ATOM 1272 C4' DT C 17 13.872 24.351 -1.416 1.00 1.00 C ATOM 1273 O4' DT C 17 14.086 23.099 -0.776 1.00 1.00 O ATOM 1274 C3' DT C 17 12.418 24.790 -1.161 1.00 1.00 C ATOM 1275 O3' DT C 17 11.705 24.811 -2.398 1.00 1.00 O ATOM 1276 C2' DT C 17 11.938 23.733 -0.162 1.00 1.00 C ATOM 1277 C1' DT C 17 12.818 22.533 -0.512 1.00 1.00 C ATOM 1278 N1 DT C 17 12.934 21.511 0.562 1.00 1.00 N ATOM 1279 C2 DT C 17 12.759 20.161 0.220 1.00 1.00 C ATOM 1280 O2 DT C 17 12.471 19.751 -0.909 1.00 1.00 O ATOM 1281 N3 DT C 17 12.941 19.247 1.229 1.00 1.00 N ATOM 1282 C4 DT C 17 13.256 19.525 2.534 1.00 1.00 C ATOM 1283 O4 DT C 17 13.417 18.580 3.307 1.00 1.00 O ATOM 1284 C5 DT C 17 13.385 20.948 2.838 1.00 1.00 C ATOM 1285 C7 DT C 17 13.694 21.404 4.248 1.00 1.00 C ATOM 1286 C6 DT C 17 13.240 21.878 1.859 1.00 1.00 C ATOM 0 H5' DT C 17 15.915 24.954 -1.091 1.00 1.00 H new ATOM 0 H5'' DT C 17 14.865 26.252 -1.622 1.00 1.00 H new ATOM 0 H4' DT C 17 14.005 24.261 -2.494 1.00 1.00 H new ATOM 0 H3' DT C 17 12.280 25.796 -0.764 1.00 1.00 H new ATOM 0 H2' DT C 17 12.080 24.054 0.870 1.00 1.00 H new ATOM 0 H2'' DT C 17 10.878 23.510 -0.284 1.00 1.00 H new ATOM 0 H1' DT C 17 12.381 21.988 -1.349 1.00 1.00 H new ATOM 0 H3 DT C 17 12.831 18.263 0.983 1.00 1.00 H new ATOM 0 H71 DT C 17 14.256 22.337 4.214 1.00 1.00 H new ATOM 0 H72 DT C 17 12.763 21.561 4.792 1.00 1.00 H new ATOM 0 H73 DT C 17 14.286 20.642 4.755 1.00 1.00 H new ATOM 0 H6 DT C 17 13.366 22.924 2.098 1.00 1.00 H new ATOM 1299 P DA C 18 10.167 25.324 -2.511 1.00 1.00 P ATOM 1300 OP1 DA C 18 9.903 25.676 -3.935 1.00 1.00 O ATOM 1301 OP2 DA C 18 9.917 26.361 -1.467 1.00 1.00 O ATOM 1302 O5' DA C 18 9.316 23.998 -2.137 1.00 1.00 O ATOM 1303 C5' DA C 18 9.412 22.826 -2.937 1.00 1.00 C ATOM 1304 C4' DA C 18 8.547 21.661 -2.442 1.00 1.00 C ATOM 1305 O4' DA C 18 9.186 20.921 -1.416 1.00 1.00 O ATOM 1306 C3' DA C 18 7.150 22.058 -1.938 1.00 1.00 C ATOM 1307 O3' DA C 18 6.237 21.460 -2.853 1.00 1.00 O ATOM 1308 C2' DA C 18 7.157 21.529 -0.499 1.00 1.00 C ATOM 1309 C1' DA C 18 8.192 20.415 -0.548 1.00 1.00 C ATOM 1310 N9 DA C 18 8.845 20.058 0.730 1.00 1.00 N ATOM 1311 C8 DA C 18 9.238 20.876 1.755 1.00 1.00 C ATOM 1312 N7 DA C 18 9.799 20.256 2.765 1.00 1.00 N ATOM 1313 C5 DA C 18 9.756 18.910 2.369 1.00 1.00 C ATOM 1314 C6 DA C 18 10.122 17.666 2.950 1.00 1.00 C ATOM 1315 N6 DA C 18 10.627 17.479 4.156 1.00 1.00 N ATOM 1316 N1 DA C 18 9.979 16.526 2.282 1.00 1.00 N ATOM 1317 C2 DA C 18 9.494 16.581 1.056 1.00 1.00 C ATOM 1318 N3 DA C 18 9.068 17.645 0.391 1.00 1.00 N ATOM 1319 C4 DA C 18 9.216 18.790 1.113 1.00 1.00 C ATOM 0 H5' DA C 18 10.453 22.504 -2.969 1.00 1.00 H new ATOM 0 H5'' DA C 18 9.123 23.071 -3.959 1.00 1.00 H new ATOM 0 H4' DA C 18 8.416 21.052 -3.337 1.00 1.00 H new ATOM 0 H3' DA C 18 6.870 23.111 -1.905 1.00 1.00 H new ATOM 0 H2' DA C 18 7.433 22.305 0.215 1.00 1.00 H new ATOM 0 H2'' DA C 18 6.177 21.156 -0.201 1.00 1.00 H new ATOM 0 H1' DA C 18 7.690 19.497 -0.853 1.00 1.00 H new ATOM 0 H8 DA C 18 9.097 21.947 1.733 1.00 1.00 H new ATOM 0 H61 DA C 18 10.855 16.537 4.473 1.00 1.00 H new ATOM 0 H62 DA C 18 10.789 18.277 4.770 1.00 1.00 H new ATOM 0 H2 DA C 18 9.437 15.640 0.528 1.00 1.00 H new ATOM 1331 P DT C 19 4.655 21.543 -2.707 1.00 1.00 P ATOM 1332 OP1 DT C 19 4.081 21.217 -4.030 1.00 1.00 O ATOM 1333 OP2 DT C 19 4.241 22.778 -2.011 1.00 1.00 O ATOM 1334 O5' DT C 19 4.411 20.284 -1.809 1.00 1.00 O ATOM 1335 C5' DT C 19 4.700 18.977 -2.277 1.00 1.00 C ATOM 1336 C4' DT C 19 4.156 17.966 -1.267 1.00 1.00 C ATOM 1337 O4' DT C 19 5.135 17.813 -0.254 1.00 1.00 O ATOM 1338 C3' DT C 19 2.858 18.455 -0.586 1.00 1.00 C ATOM 1339 O3' DT C 19 1.907 17.436 -0.441 1.00 1.00 O ATOM 1340 C2' DT C 19 3.347 18.870 0.785 1.00 1.00 C ATOM 1341 C1' DT C 19 4.456 17.833 0.975 1.00 1.00 C ATOM 1342 N1 DT C 19 5.417 18.093 2.068 1.00 1.00 N ATOM 1343 C2 DT C 19 5.862 16.995 2.810 1.00 1.00 C ATOM 1344 O2 DT C 19 5.536 15.831 2.586 1.00 1.00 O ATOM 1345 N3 DT C 19 6.684 17.271 3.873 1.00 1.00 N ATOM 1346 C4 DT C 19 7.009 18.522 4.337 1.00 1.00 C ATOM 1347 O4 DT C 19 7.698 18.596 5.355 1.00 1.00 O ATOM 1348 C5 DT C 19 6.486 19.630 3.535 1.00 1.00 C ATOM 1349 C7 DT C 19 6.730 21.074 3.944 1.00 1.00 C ATOM 1350 C6 DT C 19 5.763 19.377 2.413 1.00 1.00 C ATOM 0 H5' DT C 19 5.775 18.848 -2.399 1.00 1.00 H new ATOM 0 H5'' DT C 19 4.246 18.816 -3.255 1.00 1.00 H new ATOM 0 H4' DT C 19 3.936 17.038 -1.795 1.00 1.00 H new ATOM 0 H3' DT C 19 2.366 19.237 -1.164 1.00 1.00 H new ATOM 0 H2' DT C 19 3.721 19.894 0.805 1.00 1.00 H new ATOM 0 H2'' DT C 19 2.571 18.799 1.547 1.00 1.00 H new ATOM 0 H1' DT C 19 3.996 16.889 1.268 1.00 1.00 H new ATOM 0 H3 DT C 19 7.091 16.475 4.363 1.00 1.00 H new ATOM 0 H71 DT C 19 6.766 21.703 3.055 1.00 1.00 H new ATOM 0 H72 DT C 19 5.922 21.410 4.594 1.00 1.00 H new ATOM 0 H73 DT C 19 7.678 21.146 4.477 1.00 1.00 H new ATOM 0 H6 DT C 19 5.455 20.198 1.782 1.00 1.00 H new ATOM 1363 P DA C 20 0.887 17.105 -1.638 1.00 1.00 P ATOM 1364 OP1 DA C 20 1.668 17.040 -2.897 1.00 1.00 O ATOM 1365 OP2 DA C 20 -0.247 18.063 -1.562 1.00 1.00 O ATOM 1366 O5' DA C 20 0.449 15.640 -1.162 1.00 1.00 O ATOM 1367 C5' DA C 20 -0.288 15.505 0.036 1.00 1.00 C ATOM 1368 C4' DA C 20 -0.001 14.177 0.732 1.00 1.00 C ATOM 1369 O4' DA C 20 1.272 14.247 1.381 1.00 1.00 O ATOM 1370 C3' DA C 20 -1.073 13.999 1.803 1.00 1.00 C ATOM 1371 O3' DA C 20 -1.532 12.660 1.856 1.00 1.00 O ATOM 1372 C2' DA C 20 -0.339 14.505 3.038 1.00 1.00 C ATOM 1373 C1' DA C 20 1.123 14.175 2.787 1.00 1.00 C ATOM 1374 N9 DA C 20 1.990 15.181 3.456 1.00 1.00 N ATOM 1375 C8 DA C 20 2.117 16.510 3.125 1.00 1.00 C ATOM 1376 N7 DA C 20 2.841 17.220 3.947 1.00 1.00 N ATOM 1377 C5 DA C 20 3.242 16.269 4.892 1.00 1.00 C ATOM 1378 C6 DA C 20 4.051 16.319 6.049 1.00 1.00 C ATOM 1379 N6 DA C 20 4.646 17.415 6.478 1.00 1.00 N ATOM 1380 N1 DA C 20 4.279 15.235 6.793 1.00 1.00 N ATOM 1381 C2 DA C 20 3.718 14.103 6.391 1.00 1.00 C ATOM 1382 N3 DA C 20 2.930 13.892 5.340 1.00 1.00 N ATOM 1383 C4 DA C 20 2.735 15.028 4.610 1.00 1.00 C ATOM 0 H5' DA C 20 -1.353 15.578 -0.183 1.00 1.00 H new ATOM 0 H5'' DA C 20 -0.043 16.328 0.708 1.00 1.00 H new ATOM 0 H4' DA C 20 -0.000 13.356 0.016 1.00 1.00 H new ATOM 0 H3' DA C 20 -2.007 14.538 1.644 1.00 1.00 H new ATOM 0 H2' DA C 20 -0.485 15.577 3.173 1.00 1.00 H new ATOM 0 H2'' DA C 20 -0.704 14.018 3.942 1.00 1.00 H new ATOM 0 H1' DA C 20 1.406 13.198 3.178 1.00 1.00 H new ATOM 0 H8 DA C 20 1.651 16.935 2.248 1.00 1.00 H new ATOM 0 H61 DA C 20 5.218 17.388 7.322 1.00 1.00 H new ATOM 0 H62 DA C 20 4.534 18.290 5.966 1.00 1.00 H new ATOM 0 H2 DA C 20 3.929 13.235 6.998 1.00 1.00 H new ATOM 1395 P DT C 21 -2.888 12.277 2.644 1.00 1.00 P ATOM 1396 OP1 DT C 21 -3.399 10.988 2.110 1.00 1.00 O ATOM 1397 OP2 DT C 21 -3.791 13.460 2.600 1.00 1.00 O ATOM 1398 O5' DT C 21 -2.354 12.055 4.144 1.00 1.00 O ATOM 1399 C5' DT C 21 -1.452 10.992 4.421 1.00 1.00 C ATOM 1400 C4' DT C 21 -1.194 10.782 5.916 1.00 1.00 C ATOM 1401 O4' DT C 21 -0.284 11.756 6.403 1.00 1.00 O ATOM 1402 C3' DT C 21 -2.467 10.865 6.754 1.00 1.00 C ATOM 1403 O3' DT C 21 -2.395 9.840 7.728 1.00 1.00 O ATOM 1404 C2' DT C 21 -2.402 12.271 7.335 1.00 1.00 C ATOM 1405 C1' DT C 21 -0.893 12.478 7.458 1.00 1.00 C ATOM 1406 N1 DT C 21 -0.385 13.879 7.387 1.00 1.00 N ATOM 1407 C2 DT C 21 0.713 14.195 8.200 1.00 1.00 C ATOM 1408 O2 DT C 21 1.275 13.381 8.935 1.00 1.00 O ATOM 1409 N3 DT C 21 1.200 15.476 8.135 1.00 1.00 N ATOM 1410 C4 DT C 21 0.746 16.454 7.279 1.00 1.00 C ATOM 1411 O4 DT C 21 1.330 17.535 7.259 1.00 1.00 O ATOM 1412 C5 DT C 21 -0.382 16.065 6.436 1.00 1.00 C ATOM 1413 C7 DT C 21 -0.979 17.077 5.472 1.00 1.00 C ATOM 1414 C6 DT C 21 -0.900 14.810 6.502 1.00 1.00 C ATOM 0 H5' DT C 21 -0.504 11.191 3.922 1.00 1.00 H new ATOM 0 H5'' DT C 21 -1.848 10.070 3.996 1.00 1.00 H new ATOM 0 H4' DT C 21 -0.781 9.778 6.012 1.00 1.00 H new ATOM 0 H3' DT C 21 -3.409 10.718 6.226 1.00 1.00 H new ATOM 0 H2' DT C 21 -2.865 13.008 6.679 1.00 1.00 H new ATOM 0 H2'' DT C 21 -2.906 12.341 8.299 1.00 1.00 H new ATOM 0 H1' DT C 21 -0.643 12.140 8.464 1.00 1.00 H new ATOM 0 H3 DT C 21 1.958 15.723 8.771 1.00 1.00 H new ATOM 0 H71 DT C 21 -1.387 16.557 4.605 1.00 1.00 H new ATOM 0 H72 DT C 21 -1.775 17.630 5.971 1.00 1.00 H new ATOM 0 H73 DT C 21 -0.204 17.771 5.147 1.00 1.00 H new ATOM 0 H6 DT C 21 -1.722 14.537 5.857 1.00 1.00 H new ATOM 1427 P DG C 22 -3.624 9.440 8.664 1.00 1.00 P ATOM 1428 OP1 DG C 22 -3.423 8.015 9.020 1.00 1.00 O ATOM 1429 OP2 DG C 22 -4.904 9.831 8.031 1.00 1.00 O ATOM 1430 O5' DG C 22 -3.358 10.340 9.958 1.00 1.00 O ATOM 1431 C5' DG C 22 -2.287 10.039 10.834 1.00 1.00 C ATOM 1432 C4' DG C 22 -2.030 11.128 11.879 1.00 1.00 C ATOM 1433 O4' DG C 22 -1.374 12.244 11.285 1.00 1.00 O ATOM 1434 C3' DG C 22 -3.303 11.630 12.594 1.00 1.00 C ATOM 1435 O3' DG C 22 -3.138 11.451 13.999 1.00 1.00 O ATOM 1436 C2' DG C 22 -3.352 13.088 12.137 1.00 1.00 C ATOM 1437 C1' DG C 22 -1.874 13.391 11.941 1.00 1.00 C ATOM 1438 N9 DG C 22 -1.624 14.614 11.160 1.00 1.00 N ATOM 1439 C8 DG C 22 -2.203 14.989 9.980 1.00 1.00 C ATOM 1440 N7 DG C 22 -1.793 16.143 9.523 1.00 1.00 N ATOM 1441 C5 DG C 22 -0.884 16.577 10.502 1.00 1.00 C ATOM 1442 C6 DG C 22 -0.091 17.778 10.615 1.00 1.00 C ATOM 1443 O6 DG C 22 0.029 18.712 9.822 1.00 1.00 O ATOM 1444 N1 DG C 22 0.619 17.859 11.794 1.00 1.00 N ATOM 1445 C2 DG C 22 0.607 16.897 12.742 1.00 1.00 C ATOM 1446 N2 DG C 22 1.316 17.126 13.813 1.00 1.00 N ATOM 1447 N3 DG C 22 -0.063 15.750 12.668 1.00 1.00 N ATOM 1448 C4 DG C 22 -0.800 15.652 11.520 1.00 1.00 C ATOM 0 H5' DG C 22 -1.380 9.887 10.248 1.00 1.00 H new ATOM 0 H5'' DG C 22 -2.498 9.099 11.344 1.00 1.00 H new ATOM 0 H4' DG C 22 -1.400 10.657 12.633 1.00 1.00 H new ATOM 0 H3' DG C 22 -4.235 11.114 12.365 1.00 1.00 H new ATOM 0 H2' DG C 22 -3.922 13.211 11.216 1.00 1.00 H new ATOM 0 H2'' DG C 22 -3.809 13.737 12.884 1.00 1.00 H new ATOM 0 H1' DG C 22 -1.382 13.589 12.893 1.00 1.00 H new ATOM 0 H8 DG C 22 -2.937 14.383 9.469 1.00 1.00 H new ATOM 0 H1 DG C 22 1.185 18.691 11.960 1.00 1.00 H new ATOM 0 H21 DG C 22 1.345 16.435 14.563 1.00 1.00 H new ATOM 0 H22 DG C 22 1.841 17.996 13.900 1.00 1.00 H new ATOM 1460 P DC C 23 -4.276 11.827 15.095 1.00 1.00 P ATOM 1461 OP1 DC C 23 -4.345 10.714 16.085 1.00 1.00 O ATOM 1462 OP2 DC C 23 -5.533 12.242 14.408 1.00 1.00 O ATOM 1463 O5' DC C 23 -3.638 13.131 15.821 1.00 1.00 O ATOM 1464 C5' DC C 23 -2.418 13.030 16.555 1.00 1.00 C ATOM 1465 C4' DC C 23 -1.986 14.329 17.258 1.00 1.00 C ATOM 1466 O4' DC C 23 -1.526 15.292 16.313 1.00 1.00 O ATOM 1467 C3' DC C 23 -3.111 14.950 18.105 1.00 1.00 C ATOM 1468 O3' DC C 23 -2.612 15.339 19.386 1.00 1.00 O ATOM 1469 C2' DC C 23 -3.558 16.113 17.218 1.00 1.00 C ATOM 1470 C1' DC C 23 -2.290 16.480 16.443 1.00 1.00 C ATOM 1471 N1 DC C 23 -2.558 17.053 15.102 1.00 1.00 N ATOM 1472 C2 DC C 23 -1.982 18.274 14.720 1.00 1.00 C ATOM 1473 O2 DC C 23 -1.261 18.931 15.473 1.00 1.00 O ATOM 1474 N3 DC C 23 -2.204 18.787 13.485 1.00 1.00 N ATOM 1475 C4 DC C 23 -2.985 18.113 12.668 1.00 1.00 C ATOM 1476 N4 DC C 23 -3.131 18.629 11.479 1.00 1.00 N ATOM 1477 C5 DC C 23 -3.600 16.871 12.992 1.00 1.00 C ATOM 1478 C6 DC C 23 -3.357 16.374 14.229 1.00 1.00 C ATOM 0 H5' DC C 23 -1.625 12.719 15.875 1.00 1.00 H new ATOM 0 H5'' DC C 23 -2.523 12.245 17.303 1.00 1.00 H new ATOM 0 H4' DC C 23 -1.173 14.052 17.930 1.00 1.00 H new ATOM 0 H3' DC C 23 -3.941 14.287 18.351 1.00 1.00 H new ATOM 0 H2' DC C 23 -4.367 15.819 16.549 1.00 1.00 H new ATOM 0 H2'' DC C 23 -3.923 16.952 17.810 1.00 1.00 H new ATOM 0 H1' DC C 23 -1.761 17.257 16.994 1.00 1.00 H new ATOM 0 H41 DC C 23 -3.722 18.163 10.790 1.00 1.00 H new ATOM 0 H42 DC C 23 -2.655 19.498 11.238 1.00 1.00 H new ATOM 0 H5 DC C 23 -4.230 16.350 12.286 1.00 1.00 H new ATOM 0 H6 DC C 23 -3.799 15.434 14.526 1.00 1.00 H new ATOM 1490 P DG C 24 -3.596 15.748 20.616 1.00 1.00 P ATOM 1491 OP1 DG C 24 -2.810 15.660 21.879 1.00 1.00 O ATOM 1492 OP2 DG C 24 -4.857 14.962 20.512 1.00 1.00 O ATOM 1493 O5' DG C 24 -3.946 17.305 20.338 1.00 1.00 O ATOM 1494 C5' DG C 24 -2.964 18.319 20.518 1.00 1.00 C ATOM 1495 C4' DG C 24 -3.319 19.645 19.829 1.00 1.00 C ATOM 1496 O4' DG C 24 -3.214 19.555 18.418 1.00 1.00 O ATOM 1497 C3' DG C 24 -4.731 20.183 20.113 1.00 1.00 C ATOM 1498 O3' DG C 24 -4.772 21.040 21.255 1.00 1.00 O ATOM 1499 C2' DG C 24 -5.075 20.955 18.837 1.00 1.00 C ATOM 1500 C1' DG C 24 -3.895 20.679 17.900 1.00 1.00 C ATOM 1501 N9 DG C 24 -4.330 20.444 16.511 1.00 1.00 N ATOM 1502 C8 DG C 24 -5.149 19.452 16.047 1.00 1.00 C ATOM 1503 N7 DG C 24 -5.440 19.549 14.774 1.00 1.00 N ATOM 1504 C5 DG C 24 -4.758 20.712 14.370 1.00 1.00 C ATOM 1505 C6 DG C 24 -4.682 21.399 13.100 1.00 1.00 C ATOM 1506 O6 DG C 24 -5.203 21.122 12.019 1.00 1.00 O ATOM 1507 N1 DG C 24 -3.922 22.552 13.145 1.00 1.00 N ATOM 1508 C2 DG C 24 -3.303 23.007 14.258 1.00 1.00 C ATOM 1509 N2 DG C 24 -2.626 24.115 14.156 1.00 1.00 N ATOM 1510 N3 DG C 24 -3.337 22.412 15.444 1.00 1.00 N ATOM 1511 C4 DG C 24 -4.080 21.263 15.436 1.00 1.00 C ATOM 0 H5' DG C 24 -2.009 17.962 20.131 1.00 1.00 H new ATOM 0 H5'' DG C 24 -2.829 18.498 21.585 1.00 1.00 H new ATOM 0 H4' DG C 24 -2.590 20.331 20.259 1.00 1.00 H new ATOM 0 H3' DG C 24 -5.435 19.384 20.345 1.00 1.00 H new ATOM 0 H2' DG C 24 -6.015 20.612 18.405 1.00 1.00 H new ATOM 0 H2'' DG C 24 -5.186 22.021 19.034 1.00 1.00 H new ATOM 0 HO3' DG C 24 -5.689 21.357 21.393 1.00 1.00 H new ATOM 0 H1' DG C 24 -3.240 21.549 17.859 1.00 1.00 H new ATOM 0 H8 DG C 24 -5.523 18.658 16.676 1.00 1.00 H new ATOM 0 H1 DG C 24 -3.822 23.093 12.286 1.00 1.00 H new ATOM 0 H21 DG C 24 -2.143 24.495 14.970 1.00 1.00 H new ATOM 0 H22 DG C 24 -2.579 24.603 13.262 1.00 1.00 H new TER 1524 DG C 24