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=-1.5) USER MOD Set 1.2: A 121 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 87 ASN : amide:sc= 2.09 K(o=2.4,f=-8.1!) USER MOD Set 2.2: A 90 THR OG1 : rot 166:sc= 0.303 USER MOD Single : A 81 LYS NZ :NH3+ 164:sc= 1.17 (180deg=0.661) USER MOD Single : A 83 LYS NZ :NH3+ -163:sc= 1.06 (180deg=0.575) 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 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.179 USER MOD Single : A 97 LYS NZ :NH3+ 165:sc= 1.24 (180deg=1.03) USER MOD Single : A 100 ASN : amide:sc= 0.0928 K(o=0.093,f=-1.4) USER MOD Single : A 101 HIS : no HE2:sc= 0.739 K(o=0.74,f=-2.3!) USER MOD Single : A 102 LYS NZ :NH3+ -172:sc= 1.25 (180deg=1.14) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -149:sc= 1.05 (180deg=0.379) USER MOD Single : A 108 LYS NZ :NH3+ -148:sc= 2.41 (180deg=0.203) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 125 HIS : no HD1:sc= -0.0569 X(o=-0.057,f=-0.51) 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= -0.272 (180deg=-0.321) USER MOD Single : B 12 DG O3' : rot 180:sc= 0 USER MOD Single : C 13 DC O5' : rot 180:sc= 0 USER MOD Single : C 17 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : C 19 DT C7 :methyl 150:sc= -0.225 (180deg=-0.225) USER MOD Single : C 21 DT C7 :methyl -30:sc= -1.19 (180deg=-1.33) USER MOD Single : C 24 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 79 -0.947 6.329 9.617 1.00 1.00 N ATOM 2 CA ALA A 79 0.192 5.761 8.842 1.00 1.00 C ATOM 3 C ALA A 79 0.502 6.609 7.611 1.00 1.00 C ATOM 4 O ALA A 79 -0.366 7.314 7.115 1.00 1.00 O ATOM 5 CB ALA A 79 -0.141 4.314 8.439 1.00 1.00 C ATOM 0 HA ALA A 79 1.083 5.765 9.470 1.00 1.00 H new ATOM 0 HB1 ALA A 79 0.690 3.894 7.872 1.00 1.00 H new ATOM 0 HB2 ALA A 79 -0.308 3.716 9.335 1.00 1.00 H new ATOM 0 HB3 ALA A 79 -1.041 4.305 7.825 1.00 1.00 H new ATOM 11 N ARG A 80 1.729 6.524 7.082 1.00 1.00 N ATOM 12 CA ARG A 80 2.201 7.169 5.829 1.00 1.00 C ATOM 13 C ARG A 80 1.516 6.602 4.559 1.00 1.00 C ATOM 14 O ARG A 80 2.165 6.050 3.674 1.00 1.00 O ATOM 15 CB ARG A 80 3.747 7.111 5.778 1.00 1.00 C ATOM 16 CG ARG A 80 4.383 7.963 6.896 1.00 1.00 C ATOM 17 CD ARG A 80 4.438 9.458 6.558 1.00 1.00 C ATOM 18 NE ARG A 80 4.537 10.290 7.776 1.00 1.00 N ATOM 19 CZ ARG A 80 3.555 10.920 8.396 1.00 1.00 C ATOM 20 NH1 ARG A 80 2.321 10.860 8.010 1.00 1.00 N ATOM 21 NH2 ARG A 80 3.765 11.690 9.414 1.00 1.00 N ATOM 0 H ARG A 80 2.464 5.978 7.531 1.00 1.00 H new ATOM 0 HA ARG A 80 1.901 8.217 5.840 1.00 1.00 H new ATOM 0 HB2 ARG A 80 4.077 6.077 5.876 1.00 1.00 H new ATOM 0 HB3 ARG A 80 4.093 7.466 4.807 1.00 1.00 H new ATOM 0 HG2 ARG A 80 3.815 7.826 7.816 1.00 1.00 H new ATOM 0 HG3 ARG A 80 5.394 7.603 7.088 1.00 1.00 H new ATOM 0 HD2 ARG A 80 5.294 9.654 5.913 1.00 1.00 H new ATOM 0 HD3 ARG A 80 3.546 9.738 5.998 1.00 1.00 H new ATOM 0 HE ARG A 80 5.467 10.389 8.183 1.00 1.00 H new ATOM 0 HH11 ARG A 80 2.069 10.307 7.191 1.00 1.00 H new ATOM 0 HH12 ARG A 80 1.600 11.366 8.525 1.00 1.00 H new ATOM 0 HH21 ARG A 80 4.714 11.827 9.763 1.00 1.00 H new ATOM 0 HH22 ARG A 80 2.982 12.160 9.868 1.00 1.00 H new ATOM 35 N LYS A 81 0.184 6.714 4.501 1.00 1.00 N ATOM 36 CA LYS A 81 -0.723 6.312 3.425 1.00 1.00 C ATOM 37 C LYS A 81 -0.305 6.928 2.094 1.00 1.00 C ATOM 38 O LYS A 81 -0.036 8.123 1.971 1.00 1.00 O ATOM 39 CB LYS A 81 -2.154 6.760 3.784 1.00 1.00 C ATOM 40 CG LYS A 81 -2.820 5.911 4.884 1.00 1.00 C ATOM 41 CD LYS A 81 -3.815 6.740 5.711 1.00 1.00 C ATOM 42 CE LYS A 81 -4.610 5.828 6.657 1.00 1.00 C ATOM 43 NZ LYS A 81 -5.341 6.610 7.693 1.00 1.00 N ATOM 0 H LYS A 81 -0.331 7.126 5.279 1.00 1.00 H new ATOM 0 HA LYS A 81 -0.685 5.228 3.318 1.00 1.00 H new ATOM 0 HB2 LYS A 81 -2.127 7.800 4.109 1.00 1.00 H new ATOM 0 HB3 LYS A 81 -2.771 6.722 2.886 1.00 1.00 H new ATOM 0 HG2 LYS A 81 -3.338 5.066 4.430 1.00 1.00 H new ATOM 0 HG3 LYS A 81 -2.054 5.499 5.541 1.00 1.00 H new ATOM 0 HD2 LYS A 81 -3.280 7.495 6.287 1.00 1.00 H new ATOM 0 HD3 LYS A 81 -4.498 7.270 5.047 1.00 1.00 H new ATOM 0 HE2 LYS A 81 -5.320 5.236 6.080 1.00 1.00 H new ATOM 0 HE3 LYS A 81 -3.931 5.127 7.142 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -6.066 6.009 8.134 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 -4.671 6.934 8.420 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -5.796 7.433 7.250 1.00 1.00 H new ATOM 57 N VAL A 82 -0.288 6.062 1.096 1.00 1.00 N ATOM 58 CA VAL A 82 -0.078 6.396 -0.312 1.00 1.00 C ATOM 59 C VAL A 82 -1.323 7.028 -0.932 1.00 1.00 C ATOM 60 O VAL A 82 -2.434 6.517 -0.787 1.00 1.00 O ATOM 61 CB VAL A 82 0.259 5.126 -1.121 1.00 1.00 C ATOM 62 CG1 VAL A 82 0.386 5.395 -2.628 1.00 1.00 C ATOM 63 CG2 VAL A 82 1.549 4.480 -0.610 1.00 1.00 C ATOM 0 H VAL A 82 -0.426 5.062 1.245 1.00 1.00 H new ATOM 0 HA VAL A 82 0.747 7.107 -0.349 1.00 1.00 H new ATOM 0 HB VAL A 82 -0.578 4.444 -0.975 1.00 1.00 H new ATOM 0 HG11 VAL A 82 0.624 4.465 -3.145 1.00 1.00 H new ATOM 0 HG12 VAL A 82 -0.556 5.790 -3.008 1.00 1.00 H new ATOM 0 HG13 VAL A 82 1.181 6.120 -2.802 1.00 1.00 H new ATOM 0 HG21 VAL A 82 1.765 3.587 -1.196 1.00 1.00 H new ATOM 0 HG22 VAL A 82 2.373 5.187 -0.708 1.00 1.00 H new ATOM 0 HG23 VAL A 82 1.428 4.206 0.438 1.00 1.00 H new ATOM 73 N LYS A 83 -1.130 8.105 -1.688 1.00 1.00 N ATOM 74 CA LYS A 83 -2.134 8.685 -2.565 1.00 1.00 C ATOM 75 C LYS A 83 -1.680 8.422 -3.993 1.00 1.00 C ATOM 76 O LYS A 83 -0.555 8.747 -4.377 1.00 1.00 O ATOM 77 CB LYS A 83 -2.326 10.191 -2.339 1.00 1.00 C ATOM 78 CG LYS A 83 -3.519 10.472 -1.420 1.00 1.00 C ATOM 79 CD LYS A 83 -3.654 11.986 -1.203 1.00 1.00 C ATOM 80 CE LYS A 83 -5.050 12.376 -0.692 1.00 1.00 C ATOM 81 NZ LYS A 83 -5.275 11.988 0.726 1.00 1.00 N ATOM 0 H LYS A 83 -0.244 8.610 -1.706 1.00 1.00 H new ATOM 0 HA LYS A 83 -3.100 8.227 -2.355 1.00 1.00 H new ATOM 0 HB2 LYS A 83 -1.421 10.613 -1.902 1.00 1.00 H new ATOM 0 HB3 LYS A 83 -2.478 10.688 -3.297 1.00 1.00 H new ATOM 0 HG2 LYS A 83 -4.433 10.074 -1.861 1.00 1.00 H new ATOM 0 HG3 LYS A 83 -3.381 9.968 -0.463 1.00 1.00 H new ATOM 0 HD2 LYS A 83 -2.901 12.318 -0.488 1.00 1.00 H new ATOM 0 HD3 LYS A 83 -3.454 12.505 -2.140 1.00 1.00 H new ATOM 0 HE2 LYS A 83 -5.181 13.453 -0.794 1.00 1.00 H new ATOM 0 HE3 LYS A 83 -5.806 11.902 -1.318 1.00 1.00 H new ATOM 0 HZ1 LYS A 83 -6.294 12.005 0.933 1.00 1.00 H new ATOM 0 HZ2 LYS A 83 -4.905 11.029 0.887 1.00 1.00 H new ATOM 0 HZ3 LYS A 83 -4.784 12.658 1.351 1.00 1.00 H new ATOM 95 N GLN A 84 -2.540 7.771 -4.764 1.00 1.00 N ATOM 96 CA GLN A 84 -2.361 7.671 -6.193 1.00 1.00 C ATOM 97 C GLN A 84 -2.955 8.966 -6.742 1.00 1.00 C ATOM 98 O GLN A 84 -3.968 9.460 -6.248 1.00 1.00 O ATOM 99 CB GLN A 84 -3.038 6.406 -6.757 1.00 1.00 C ATOM 100 CG GLN A 84 -3.747 6.574 -8.105 1.00 1.00 C ATOM 101 CD GLN A 84 -4.355 5.259 -8.590 1.00 1.00 C ATOM 102 OE1 GLN A 84 -5.556 5.041 -8.515 1.00 1.00 O ATOM 103 NE2 GLN A 84 -3.561 4.330 -9.087 1.00 1.00 N ATOM 0 H GLN A 84 -3.375 7.302 -4.412 1.00 1.00 H new ATOM 0 HA GLN A 84 -1.316 7.565 -6.483 1.00 1.00 H new ATOM 0 HB2 GLN A 84 -2.282 5.627 -6.860 1.00 1.00 H new ATOM 0 HB3 GLN A 84 -3.765 6.050 -6.027 1.00 1.00 H new ATOM 0 HG2 GLN A 84 -4.531 7.326 -8.013 1.00 1.00 H new ATOM 0 HG3 GLN A 84 -3.038 6.942 -8.846 1.00 1.00 H new ATOM 0 HE21 GLN A 84 -2.558 4.500 -9.155 1.00 1.00 H new ATOM 0 HE22 GLN A 84 -3.951 3.442 -9.403 1.00 1.00 H new ATOM 112 N TYR A 85 -2.354 9.471 -7.804 1.00 1.00 N ATOM 113 CA TYR A 85 -2.853 10.613 -8.558 1.00 1.00 C ATOM 114 C TYR A 85 -2.903 10.220 -10.035 1.00 1.00 C ATOM 115 O TYR A 85 -2.014 9.517 -10.506 1.00 1.00 O ATOM 116 CB TYR A 85 -1.936 11.823 -8.324 1.00 1.00 C ATOM 117 CG TYR A 85 -1.721 12.235 -6.879 1.00 1.00 C ATOM 118 CD1 TYR A 85 -2.632 13.118 -6.275 1.00 1.00 C ATOM 119 CD2 TYR A 85 -0.592 11.789 -6.164 1.00 1.00 C ATOM 120 CE1 TYR A 85 -2.419 13.573 -4.960 1.00 1.00 C ATOM 121 CE2 TYR A 85 -0.367 12.240 -4.847 1.00 1.00 C ATOM 122 CZ TYR A 85 -1.282 13.139 -4.246 1.00 1.00 C ATOM 123 OH TYR A 85 -1.086 13.589 -2.981 1.00 1.00 O ATOM 0 H TYR A 85 -1.484 9.091 -8.177 1.00 1.00 H new ATOM 0 HA TYR A 85 -3.855 10.893 -8.231 1.00 1.00 H new ATOM 0 HB2 TYR A 85 -0.964 11.606 -8.766 1.00 1.00 H new ATOM 0 HB3 TYR A 85 -2.349 12.675 -8.865 1.00 1.00 H new ATOM 0 HD1 TYR A 85 -3.501 13.450 -6.823 1.00 1.00 H new ATOM 0 HD2 TYR A 85 0.102 11.101 -6.625 1.00 1.00 H new ATOM 0 HE1 TYR A 85 -3.123 14.251 -4.500 1.00 1.00 H new ATOM 0 HE2 TYR A 85 0.500 11.901 -4.299 1.00 1.00 H new ATOM 0 HH TYR A 85 -0.262 13.201 -2.620 1.00 1.00 H new ATOM 133 N LYS A 86 -3.920 10.673 -10.772 1.00 1.00 N ATOM 134 CA LYS A 86 -4.092 10.416 -12.212 1.00 1.00 C ATOM 135 C LYS A 86 -4.426 11.722 -12.925 1.00 1.00 C ATOM 136 O LYS A 86 -5.176 12.530 -12.390 1.00 1.00 O ATOM 137 CB LYS A 86 -5.191 9.349 -12.393 1.00 1.00 C ATOM 138 CG LYS A 86 -5.561 9.098 -13.864 1.00 1.00 C ATOM 139 CD LYS A 86 -6.416 7.829 -13.999 1.00 1.00 C ATOM 140 CE LYS A 86 -6.713 7.541 -15.479 1.00 1.00 C ATOM 141 NZ LYS A 86 -7.582 6.341 -15.645 1.00 1.00 N ATOM 0 H LYS A 86 -4.668 11.244 -10.378 1.00 1.00 H new ATOM 0 HA LYS A 86 -3.173 10.033 -12.655 1.00 1.00 H new ATOM 0 HB2 LYS A 86 -4.856 8.413 -11.945 1.00 1.00 H new ATOM 0 HB3 LYS A 86 -6.083 9.661 -11.850 1.00 1.00 H new ATOM 0 HG2 LYS A 86 -6.108 9.955 -14.258 1.00 1.00 H new ATOM 0 HG3 LYS A 86 -4.654 8.997 -14.460 1.00 1.00 H new ATOM 0 HD2 LYS A 86 -5.894 6.982 -13.554 1.00 1.00 H new ATOM 0 HD3 LYS A 86 -7.350 7.952 -13.451 1.00 1.00 H new ATOM 0 HE2 LYS A 86 -7.200 8.407 -15.928 1.00 1.00 H new ATOM 0 HE3 LYS A 86 -5.776 7.389 -16.015 1.00 1.00 H new ATOM 0 HZ1 LYS A 86 -7.760 6.179 -16.657 1.00 1.00 H new ATOM 0 HZ2 LYS A 86 -7.107 5.510 -15.239 1.00 1.00 H new ATOM 0 HZ3 LYS A 86 -8.486 6.497 -15.155 1.00 1.00 H new ATOM 155 N ASN A 87 -3.880 11.934 -14.120 1.00 1.00 N ATOM 156 CA ASN A 87 -4.012 13.199 -14.846 1.00 1.00 C ATOM 157 C ASN A 87 -4.957 13.080 -16.063 1.00 1.00 C ATOM 158 O ASN A 87 -4.575 12.466 -17.065 1.00 1.00 O ATOM 159 CB ASN A 87 -2.603 13.657 -15.223 1.00 1.00 C ATOM 160 CG ASN A 87 -2.568 15.031 -15.858 1.00 1.00 C ATOM 161 OD1 ASN A 87 -3.513 15.511 -16.467 1.00 1.00 O ATOM 162 ND2 ASN A 87 -1.483 15.741 -15.695 1.00 1.00 N ATOM 0 H ASN A 87 -3.331 11.232 -14.616 1.00 1.00 H new ATOM 0 HA ASN A 87 -4.482 13.952 -14.214 1.00 1.00 H new ATOM 0 HB2 ASN A 87 -1.979 13.662 -14.329 1.00 1.00 H new ATOM 0 HB3 ASN A 87 -2.166 12.935 -15.913 1.00 1.00 H new ATOM 0 HD21 ASN A 87 -1.430 16.686 -16.074 1.00 1.00 H new ATOM 0 HD22 ASN A 87 -0.689 15.350 -15.188 1.00 1.00 H new ATOM 169 N PRO A 88 -6.163 13.690 -16.023 1.00 1.00 N ATOM 170 CA PRO A 88 -7.122 13.715 -17.136 1.00 1.00 C ATOM 171 C PRO A 88 -6.572 14.220 -18.483 1.00 1.00 C ATOM 172 O PRO A 88 -7.087 13.842 -19.537 1.00 1.00 O ATOM 173 CB PRO A 88 -8.271 14.618 -16.665 1.00 1.00 C ATOM 174 CG PRO A 88 -8.224 14.510 -15.145 1.00 1.00 C ATOM 175 CD PRO A 88 -6.731 14.379 -14.870 1.00 1.00 C ATOM 0 HA PRO A 88 -7.420 12.689 -17.352 1.00 1.00 H new ATOM 0 HB2 PRO A 88 -8.132 15.647 -16.997 1.00 1.00 H new ATOM 0 HB3 PRO A 88 -9.230 14.283 -17.060 1.00 1.00 H new ATOM 0 HG2 PRO A 88 -8.650 15.390 -14.662 1.00 1.00 H new ATOM 0 HG3 PRO A 88 -8.781 13.646 -14.782 1.00 1.00 H new ATOM 0 HD2 PRO A 88 -6.272 15.359 -14.737 1.00 1.00 H new ATOM 0 HD3 PRO A 88 -6.552 13.817 -13.954 1.00 1.00 H new ATOM 183 N HIS A 89 -5.540 15.073 -18.464 1.00 1.00 N ATOM 184 CA HIS A 89 -4.983 15.737 -19.657 1.00 1.00 C ATOM 185 C HIS A 89 -3.879 14.930 -20.362 1.00 1.00 C ATOM 186 O HIS A 89 -3.599 15.194 -21.532 1.00 1.00 O ATOM 187 CB HIS A 89 -4.460 17.127 -19.255 1.00 1.00 C ATOM 188 CG HIS A 89 -5.493 17.974 -18.554 1.00 1.00 C ATOM 189 ND1 HIS A 89 -6.530 18.664 -19.159 1.00 1.00 N ATOM 190 CD2 HIS A 89 -5.585 18.184 -17.202 1.00 1.00 C ATOM 191 CE1 HIS A 89 -7.234 19.291 -18.194 1.00 1.00 C ATOM 192 NE2 HIS A 89 -6.675 19.013 -16.996 1.00 1.00 N ATOM 0 H HIS A 89 -5.057 15.328 -17.603 1.00 1.00 H new ATOM 0 HA HIS A 89 -5.791 15.822 -20.384 1.00 1.00 H new ATOM 0 HB2 HIS A 89 -3.595 17.007 -18.603 1.00 1.00 H new ATOM 0 HB3 HIS A 89 -4.116 17.650 -20.147 1.00 1.00 H new ATOM 0 HD2 HIS A 89 -4.932 17.780 -16.443 1.00 1.00 H new ATOM 0 HE1 HIS A 89 -8.102 19.913 -18.353 1.00 1.00 H new ATOM 0 HE2 HIS A 89 -7.001 19.356 -16.092 1.00 1.00 H new ATOM 201 N THR A 90 -3.264 13.956 -19.679 1.00 1.00 N ATOM 202 CA THR A 90 -2.084 13.214 -20.177 1.00 1.00 C ATOM 203 C THR A 90 -2.210 11.688 -20.095 1.00 1.00 C ATOM 204 O THR A 90 -1.489 10.981 -20.805 1.00 1.00 O ATOM 205 CB THR A 90 -0.819 13.624 -19.408 1.00 1.00 C ATOM 206 OG1 THR A 90 -0.934 13.210 -18.067 1.00 1.00 O ATOM 207 CG2 THR A 90 -0.594 15.132 -19.371 1.00 1.00 C ATOM 0 H THR A 90 -3.570 13.653 -18.754 1.00 1.00 H new ATOM 0 HA THR A 90 -2.018 13.483 -21.231 1.00 1.00 H new ATOM 0 HB THR A 90 0.014 13.154 -19.931 1.00 1.00 H new ATOM 0 HG1 THR A 90 -0.057 13.263 -17.632 1.00 1.00 H new ATOM 0 HG21 THR A 90 0.316 15.350 -18.812 1.00 1.00 H new ATOM 0 HG22 THR A 90 -0.495 15.510 -20.388 1.00 1.00 H new ATOM 0 HG23 THR A 90 -1.442 15.615 -18.886 1.00 1.00 H new ATOM 215 N GLY A 91 -3.115 11.163 -19.258 1.00 1.00 N ATOM 216 CA GLY A 91 -3.236 9.724 -18.979 1.00 1.00 C ATOM 217 C GLY A 91 -2.096 9.148 -18.123 1.00 1.00 C ATOM 218 O GLY A 91 -1.976 7.927 -18.004 1.00 1.00 O ATOM 0 H GLY A 91 -3.792 11.732 -18.749 1.00 1.00 H new ATOM 0 HA2 GLY A 91 -4.183 9.543 -18.471 1.00 1.00 H new ATOM 0 HA3 GLY A 91 -3.273 9.184 -19.925 1.00 1.00 H new ATOM 222 N GLU A 92 -1.258 10.002 -17.525 1.00 1.00 N ATOM 223 CA GLU A 92 -0.248 9.637 -16.550 1.00 1.00 C ATOM 224 C GLU A 92 -0.919 9.355 -15.201 1.00 1.00 C ATOM 225 O GLU A 92 -1.914 9.973 -14.817 1.00 1.00 O ATOM 226 CB GLU A 92 0.736 10.800 -16.345 1.00 1.00 C ATOM 227 CG GLU A 92 1.627 11.135 -17.543 1.00 1.00 C ATOM 228 CD GLU A 92 2.468 12.399 -17.271 1.00 1.00 C ATOM 229 OE1 GLU A 92 1.897 13.443 -16.861 1.00 1.00 O ATOM 230 OE2 GLU A 92 3.708 12.361 -17.481 1.00 1.00 O ATOM 0 H GLU A 92 -1.273 11.003 -17.721 1.00 1.00 H new ATOM 0 HA GLU A 92 0.280 8.756 -16.915 1.00 1.00 H new ATOM 0 HB2 GLU A 92 0.167 11.691 -16.079 1.00 1.00 H new ATOM 0 HB3 GLU A 92 1.376 10.565 -15.494 1.00 1.00 H new ATOM 0 HG2 GLU A 92 2.287 10.294 -17.756 1.00 1.00 H new ATOM 0 HG3 GLU A 92 1.010 11.288 -18.428 1.00 1.00 H new ATOM 237 N VAL A 93 -0.297 8.463 -14.449 1.00 1.00 N ATOM 238 CA VAL A 93 -0.618 8.105 -13.067 1.00 1.00 C ATOM 239 C VAL A 93 0.677 8.086 -12.243 1.00 1.00 C ATOM 240 O VAL A 93 1.777 7.868 -12.760 1.00 1.00 O ATOM 241 CB VAL A 93 -1.315 6.734 -13.017 1.00 1.00 C ATOM 242 CG1 VAL A 93 -1.873 6.357 -11.630 1.00 1.00 C ATOM 243 CG2 VAL A 93 -2.486 6.660 -14.011 1.00 1.00 C ATOM 0 H VAL A 93 0.498 7.932 -14.805 1.00 1.00 H new ATOM 0 HA VAL A 93 -1.301 8.843 -12.647 1.00 1.00 H new ATOM 0 HB VAL A 93 -0.525 6.029 -13.277 1.00 1.00 H new ATOM 0 HG11 VAL A 93 -2.348 5.377 -11.683 1.00 1.00 H new ATOM 0 HG12 VAL A 93 -1.059 6.327 -10.906 1.00 1.00 H new ATOM 0 HG13 VAL A 93 -2.608 7.100 -11.319 1.00 1.00 H new ATOM 0 HG21 VAL A 93 -2.955 5.678 -13.948 1.00 1.00 H new ATOM 0 HG22 VAL A 93 -3.219 7.428 -13.767 1.00 1.00 H new ATOM 0 HG23 VAL A 93 -2.115 6.821 -15.023 1.00 1.00 H new ATOM 253 N ILE A 94 0.524 8.298 -10.944 1.00 1.00 N ATOM 254 CA ILE A 94 1.564 8.297 -9.913 1.00 1.00 C ATOM 255 C ILE A 94 1.002 7.699 -8.624 1.00 1.00 C ATOM 256 O ILE A 94 -0.209 7.599 -8.446 1.00 1.00 O ATOM 257 CB ILE A 94 2.112 9.712 -9.583 1.00 1.00 C ATOM 258 CG1 ILE A 94 1.532 10.874 -10.414 1.00 1.00 C ATOM 259 CG2 ILE A 94 3.649 9.713 -9.650 1.00 1.00 C ATOM 260 CD1 ILE A 94 1.940 12.238 -9.857 1.00 1.00 C ATOM 0 H ILE A 94 -0.397 8.490 -10.549 1.00 1.00 H new ATOM 0 HA ILE A 94 2.388 7.706 -10.313 1.00 1.00 H new ATOM 0 HB ILE A 94 1.767 9.912 -8.568 1.00 1.00 H new ATOM 0 HG12 ILE A 94 1.873 10.787 -11.446 1.00 1.00 H new ATOM 0 HG13 ILE A 94 0.445 10.800 -10.431 1.00 1.00 H new ATOM 0 HG21 ILE A 94 4.023 10.710 -9.417 1.00 1.00 H new ATOM 0 HG22 ILE A 94 4.045 8.999 -8.928 1.00 1.00 H new ATOM 0 HG23 ILE A 94 3.970 9.431 -10.653 1.00 1.00 H new ATOM 0 HD11 ILE A 94 1.509 13.027 -10.474 1.00 1.00 H new ATOM 0 HD12 ILE A 94 1.576 12.337 -8.834 1.00 1.00 H new ATOM 0 HD13 ILE A 94 3.027 12.324 -9.865 1.00 1.00 H new ATOM 272 N GLU A 95 1.900 7.414 -7.691 1.00 1.00 N ATOM 273 CA GLU A 95 1.658 6.965 -6.319 1.00 1.00 C ATOM 274 C GLU A 95 2.760 7.521 -5.407 1.00 1.00 C ATOM 275 O GLU A 95 3.945 7.251 -5.624 1.00 1.00 O ATOM 276 CB GLU A 95 1.705 5.435 -6.260 1.00 1.00 C ATOM 277 CG GLU A 95 0.392 4.787 -6.688 1.00 1.00 C ATOM 278 CD GLU A 95 0.536 3.254 -6.792 1.00 1.00 C ATOM 279 OE1 GLU A 95 0.857 2.591 -5.777 1.00 1.00 O ATOM 280 OE2 GLU A 95 0.322 2.699 -7.898 1.00 1.00 O ATOM 0 H GLU A 95 2.898 7.496 -7.886 1.00 1.00 H new ATOM 0 HA GLU A 95 0.680 7.318 -5.993 1.00 1.00 H new ATOM 0 HB2 GLU A 95 2.509 5.076 -6.903 1.00 1.00 H new ATOM 0 HB3 GLU A 95 1.945 5.122 -5.244 1.00 1.00 H new ATOM 0 HG2 GLU A 95 -0.390 5.034 -5.970 1.00 1.00 H new ATOM 0 HG3 GLU A 95 0.080 5.192 -7.651 1.00 1.00 H new ATOM 287 N THR A 96 2.383 8.295 -4.390 1.00 1.00 N ATOM 288 CA THR A 96 3.327 8.926 -3.446 1.00 1.00 C ATOM 289 C THR A 96 2.701 8.987 -2.047 1.00 1.00 C ATOM 290 O THR A 96 1.478 9.031 -1.915 1.00 1.00 O ATOM 291 CB THR A 96 3.797 10.332 -3.914 1.00 1.00 C ATOM 292 OG1 THR A 96 3.135 11.359 -3.208 1.00 1.00 O ATOM 293 CG2 THR A 96 3.576 10.648 -5.403 1.00 1.00 C ATOM 0 H THR A 96 1.406 8.509 -4.190 1.00 1.00 H new ATOM 0 HA THR A 96 4.222 8.305 -3.412 1.00 1.00 H new ATOM 0 HB THR A 96 4.869 10.298 -3.719 1.00 1.00 H new ATOM 0 HG1 THR A 96 3.453 12.231 -3.524 1.00 1.00 H new ATOM 0 HG21 THR A 96 3.940 11.652 -5.620 1.00 1.00 H new ATOM 0 HG22 THR A 96 4.119 9.926 -6.013 1.00 1.00 H new ATOM 0 HG23 THR A 96 2.512 10.590 -5.633 1.00 1.00 H new ATOM 301 N LYS A 97 3.508 8.986 -0.980 1.00 1.00 N ATOM 302 CA LYS A 97 3.037 9.156 0.413 1.00 1.00 C ATOM 303 C LYS A 97 3.084 10.632 0.863 1.00 1.00 C ATOM 304 O LYS A 97 2.909 10.928 2.048 1.00 1.00 O ATOM 305 CB LYS A 97 3.870 8.266 1.347 1.00 1.00 C ATOM 306 CG LYS A 97 3.940 6.785 0.929 1.00 1.00 C ATOM 307 CD LYS A 97 5.016 6.021 1.719 1.00 1.00 C ATOM 308 CE LYS A 97 5.371 4.661 1.100 1.00 1.00 C ATOM 309 NZ LYS A 97 6.126 4.802 -0.181 1.00 1.00 N ATOM 0 H LYS A 97 4.518 8.866 -1.053 1.00 1.00 H new ATOM 0 HA LYS A 97 1.992 8.849 0.461 1.00 1.00 H new ATOM 0 HB2 LYS A 97 4.884 8.664 1.398 1.00 1.00 H new ATOM 0 HB3 LYS A 97 3.453 8.327 2.352 1.00 1.00 H new ATOM 0 HG2 LYS A 97 2.969 6.316 1.089 1.00 1.00 H new ATOM 0 HG3 LYS A 97 4.155 6.718 -0.137 1.00 1.00 H new ATOM 0 HD2 LYS A 97 5.917 6.632 1.778 1.00 1.00 H new ATOM 0 HD3 LYS A 97 4.667 5.868 2.740 1.00 1.00 H new ATOM 0 HE2 LYS A 97 5.967 4.086 1.809 1.00 1.00 H new ATOM 0 HE3 LYS A 97 4.456 4.096 0.920 1.00 1.00 H new ATOM 0 HZ1 LYS A 97 6.561 3.891 -0.430 1.00 1.00 H new ATOM 0 HZ2 LYS A 97 5.475 5.093 -0.938 1.00 1.00 H new ATOM 0 HZ3 LYS A 97 6.869 5.521 -0.069 1.00 1.00 H new ATOM 323 N GLY A 98 3.376 11.536 -0.076 1.00 1.00 N ATOM 324 CA GLY A 98 3.641 12.954 0.125 1.00 1.00 C ATOM 325 C GLY A 98 4.943 13.424 -0.538 1.00 1.00 C ATOM 326 O GLY A 98 5.550 12.723 -1.355 1.00 1.00 O ATOM 0 H GLY A 98 3.436 11.274 -1.060 1.00 1.00 H new ATOM 0 HA2 GLY A 98 2.808 13.533 -0.274 1.00 1.00 H new ATOM 0 HA3 GLY A 98 3.690 13.160 1.194 1.00 1.00 H new ATOM 330 N GLY A 99 5.366 14.626 -0.148 1.00 1.00 N ATOM 331 CA GLY A 99 6.666 15.204 -0.464 1.00 1.00 C ATOM 332 C GLY A 99 6.859 15.735 -1.891 1.00 1.00 C ATOM 333 O GLY A 99 6.064 15.518 -2.809 1.00 1.00 O ATOM 0 H GLY A 99 4.787 15.246 0.419 1.00 1.00 H new ATOM 0 HA2 GLY A 99 6.852 16.023 0.231 1.00 1.00 H new ATOM 0 HA3 GLY A 99 7.428 14.448 -0.277 1.00 1.00 H new ATOM 337 N ASN A 100 7.976 16.441 -2.058 1.00 1.00 N ATOM 338 CA ASN A 100 8.561 16.896 -3.316 1.00 1.00 C ATOM 339 C ASN A 100 8.817 15.669 -4.223 1.00 1.00 C ATOM 340 O ASN A 100 9.746 14.893 -3.991 1.00 1.00 O ATOM 341 CB ASN A 100 9.830 17.691 -2.929 1.00 1.00 C ATOM 342 CG ASN A 100 10.881 17.908 -4.006 1.00 1.00 C ATOM 343 OD1 ASN A 100 10.673 17.720 -5.198 1.00 1.00 O ATOM 344 ND2 ASN A 100 12.050 18.339 -3.580 1.00 1.00 N ATOM 0 H ASN A 100 8.537 16.731 -1.257 1.00 1.00 H new ATOM 0 HA ASN A 100 7.912 17.551 -3.898 1.00 1.00 H new ATOM 0 HB2 ASN A 100 9.516 18.669 -2.565 1.00 1.00 H new ATOM 0 HB3 ASN A 100 10.306 17.178 -2.094 1.00 1.00 H new ATOM 0 HD21 ASN A 100 12.800 18.522 -4.247 1.00 1.00 H new ATOM 0 HD22 ASN A 100 12.206 18.490 -2.583 1.00 1.00 H new ATOM 351 N HIS A 101 7.946 15.465 -5.226 1.00 1.00 N ATOM 352 CA HIS A 101 8.041 14.390 -6.231 1.00 1.00 C ATOM 353 C HIS A 101 7.877 14.971 -7.646 1.00 1.00 C ATOM 354 O HIS A 101 6.932 15.718 -7.888 1.00 1.00 O ATOM 355 CB HIS A 101 7.026 13.287 -5.867 1.00 1.00 C ATOM 356 CG HIS A 101 7.243 11.997 -6.625 1.00 1.00 C ATOM 357 ND1 HIS A 101 8.199 11.028 -6.351 1.00 1.00 N ATOM 358 CD2 HIS A 101 6.523 11.570 -7.710 1.00 1.00 C ATOM 359 CE1 HIS A 101 8.060 10.036 -7.254 1.00 1.00 C ATOM 360 NE2 HIS A 101 7.053 10.347 -8.094 1.00 1.00 N ATOM 0 H HIS A 101 7.131 16.062 -5.365 1.00 1.00 H new ATOM 0 HA HIS A 101 9.027 13.924 -6.228 1.00 1.00 H new ATOM 0 HB2 HIS A 101 7.087 13.086 -4.797 1.00 1.00 H new ATOM 0 HB3 HIS A 101 6.018 13.651 -6.066 1.00 1.00 H new ATOM 0 HD1 HIS A 101 8.886 11.061 -5.598 1.00 1.00 H new ATOM 0 HD2 HIS A 101 5.699 12.088 -8.178 1.00 1.00 H new ATOM 0 HE1 HIS A 101 8.659 9.138 -7.297 1.00 1.00 H new ATOM 369 N LYS A 102 8.763 14.614 -8.588 1.00 1.00 N ATOM 370 CA LYS A 102 8.888 15.253 -9.923 1.00 1.00 C ATOM 371 C LYS A 102 7.581 15.429 -10.707 1.00 1.00 C ATOM 372 O LYS A 102 7.112 16.554 -10.838 1.00 1.00 O ATOM 373 CB LYS A 102 10.000 14.572 -10.716 1.00 1.00 C ATOM 374 CG LYS A 102 10.280 15.293 -12.053 1.00 1.00 C ATOM 375 CD LYS A 102 11.742 15.167 -12.497 1.00 1.00 C ATOM 376 CE LYS A 102 12.234 13.727 -12.342 1.00 1.00 C ATOM 377 NZ LYS A 102 13.675 13.595 -12.693 1.00 1.00 N ATOM 0 H LYS A 102 9.431 13.856 -8.447 1.00 1.00 H new ATOM 0 HA LYS A 102 9.170 16.290 -9.743 1.00 1.00 H new ATOM 0 HB2 LYS A 102 10.911 14.550 -10.118 1.00 1.00 H new ATOM 0 HB3 LYS A 102 9.723 13.536 -10.913 1.00 1.00 H new ATOM 0 HG2 LYS A 102 9.633 14.880 -12.827 1.00 1.00 H new ATOM 0 HG3 LYS A 102 10.024 16.348 -11.953 1.00 1.00 H new ATOM 0 HD2 LYS A 102 11.839 15.479 -13.537 1.00 1.00 H new ATOM 0 HD3 LYS A 102 12.366 15.835 -11.904 1.00 1.00 H new ATOM 0 HE2 LYS A 102 12.078 13.398 -11.314 1.00 1.00 H new ATOM 0 HE3 LYS A 102 11.643 13.070 -12.980 1.00 1.00 H new ATOM 0 HZ1 LYS A 102 13.938 12.589 -12.707 1.00 1.00 H new ATOM 0 HZ2 LYS A 102 13.843 14.010 -13.632 1.00 1.00 H new ATOM 0 HZ3 LYS A 102 14.252 14.094 -11.986 1.00 1.00 H new ATOM 391 N THR A 103 6.942 14.344 -11.153 1.00 1.00 N ATOM 392 CA THR A 103 5.717 14.423 -11.989 1.00 1.00 C ATOM 393 C THR A 103 4.582 15.154 -11.270 1.00 1.00 C ATOM 394 O THR A 103 3.914 16.006 -11.854 1.00 1.00 O ATOM 395 CB THR A 103 5.245 13.028 -12.429 1.00 1.00 C ATOM 396 OG1 THR A 103 6.312 12.347 -13.055 1.00 1.00 O ATOM 397 CG2 THR A 103 4.081 13.131 -13.411 1.00 1.00 C ATOM 0 H THR A 103 7.246 13.391 -10.954 1.00 1.00 H new ATOM 0 HA THR A 103 5.984 14.997 -12.876 1.00 1.00 H new ATOM 0 HB THR A 103 4.913 12.484 -11.545 1.00 1.00 H new ATOM 0 HG1 THR A 103 6.013 11.457 -13.334 1.00 1.00 H new ATOM 0 HG21 THR A 103 3.765 12.131 -13.707 1.00 1.00 H new ATOM 0 HG22 THR A 103 3.248 13.648 -12.935 1.00 1.00 H new ATOM 0 HG23 THR A 103 4.397 13.688 -14.293 1.00 1.00 H new ATOM 405 N LEU A 104 4.418 14.883 -9.968 1.00 1.00 N ATOM 406 CA LEU A 104 3.419 15.532 -9.113 1.00 1.00 C ATOM 407 C LEU A 104 3.607 17.058 -9.082 1.00 1.00 C ATOM 408 O LEU A 104 2.627 17.801 -9.155 1.00 1.00 O ATOM 409 CB LEU A 104 3.508 14.886 -7.711 1.00 1.00 C ATOM 410 CG LEU A 104 2.458 15.348 -6.682 1.00 1.00 C ATOM 411 CD1 LEU A 104 1.033 15.074 -7.157 1.00 1.00 C ATOM 412 CD2 LEU A 104 2.669 14.604 -5.366 1.00 1.00 C ATOM 0 H LEU A 104 4.986 14.195 -9.473 1.00 1.00 H new ATOM 0 HA LEU A 104 2.417 15.378 -9.513 1.00 1.00 H new ATOM 0 HB2 LEU A 104 3.423 13.805 -7.826 1.00 1.00 H new ATOM 0 HB3 LEU A 104 4.499 15.087 -7.303 1.00 1.00 H new ATOM 0 HG LEU A 104 2.584 16.423 -6.552 1.00 1.00 H new ATOM 0 HD11 LEU A 104 0.326 15.415 -6.401 1.00 1.00 H new ATOM 0 HD12 LEU A 104 0.852 15.607 -8.091 1.00 1.00 H new ATOM 0 HD13 LEU A 104 0.903 14.004 -7.319 1.00 1.00 H new ATOM 0 HD21 LEU A 104 1.926 14.932 -4.639 1.00 1.00 H new ATOM 0 HD22 LEU A 104 2.565 13.532 -5.533 1.00 1.00 H new ATOM 0 HD23 LEU A 104 3.668 14.816 -4.984 1.00 1.00 H new ATOM 424 N LYS A 105 4.857 17.542 -9.055 1.00 1.00 N ATOM 425 CA LYS A 105 5.178 18.976 -9.116 1.00 1.00 C ATOM 426 C LYS A 105 4.855 19.587 -10.481 1.00 1.00 C ATOM 427 O LYS A 105 4.372 20.714 -10.528 1.00 1.00 O ATOM 428 CB LYS A 105 6.652 19.198 -8.712 1.00 1.00 C ATOM 429 CG LYS A 105 7.137 20.658 -8.778 1.00 1.00 C ATOM 430 CD LYS A 105 6.379 21.654 -7.878 1.00 1.00 C ATOM 431 CE LYS A 105 6.717 21.453 -6.393 1.00 1.00 C ATOM 432 NZ LYS A 105 5.968 22.410 -5.529 1.00 1.00 N ATOM 0 H LYS A 105 5.681 16.944 -8.990 1.00 1.00 H new ATOM 0 HA LYS A 105 4.542 19.499 -8.402 1.00 1.00 H new ATOM 0 HB2 LYS A 105 6.793 18.831 -7.695 1.00 1.00 H new ATOM 0 HB3 LYS A 105 7.285 18.592 -9.360 1.00 1.00 H new ATOM 0 HG2 LYS A 105 8.193 20.684 -8.509 1.00 1.00 H new ATOM 0 HG3 LYS A 105 7.063 21.000 -9.810 1.00 1.00 H new ATOM 0 HD2 LYS A 105 6.629 22.673 -8.173 1.00 1.00 H new ATOM 0 HD3 LYS A 105 5.306 21.533 -8.026 1.00 1.00 H new ATOM 0 HE2 LYS A 105 6.477 20.431 -6.099 1.00 1.00 H new ATOM 0 HE3 LYS A 105 7.788 21.585 -6.241 1.00 1.00 H new ATOM 0 HZ1 LYS A 105 6.536 22.635 -4.687 1.00 1.00 H new ATOM 0 HZ2 LYS A 105 5.777 23.283 -6.062 1.00 1.00 H new ATOM 0 HZ3 LYS A 105 5.068 21.980 -5.234 1.00 1.00 H new ATOM 446 N GLU A 106 5.040 18.860 -11.583 1.00 1.00 N ATOM 447 CA GLU A 106 4.725 19.393 -12.912 1.00 1.00 C ATOM 448 C GLU A 106 3.232 19.606 -13.065 1.00 1.00 C ATOM 449 O GLU A 106 2.783 20.634 -13.558 1.00 1.00 O ATOM 450 CB GLU A 106 5.176 18.469 -14.046 1.00 1.00 C ATOM 451 CG GLU A 106 6.601 17.978 -13.868 1.00 1.00 C ATOM 452 CD GLU A 106 7.161 17.381 -15.169 1.00 1.00 C ATOM 453 OE1 GLU A 106 7.714 18.147 -16.000 1.00 1.00 O ATOM 454 OE2 GLU A 106 7.073 16.144 -15.367 1.00 1.00 O ATOM 0 H GLU A 106 5.404 17.907 -11.584 1.00 1.00 H new ATOM 0 HA GLU A 106 5.267 20.336 -12.986 1.00 1.00 H new ATOM 0 HB2 GLU A 106 4.505 17.612 -14.100 1.00 1.00 H new ATOM 0 HB3 GLU A 106 5.094 18.998 -14.995 1.00 1.00 H new ATOM 0 HG2 GLU A 106 7.233 18.805 -13.545 1.00 1.00 H new ATOM 0 HG3 GLU A 106 6.631 17.226 -13.079 1.00 1.00 H new ATOM 461 N TRP A 107 2.449 18.649 -12.582 1.00 1.00 N ATOM 462 CA TRP A 107 0.988 18.765 -12.601 1.00 1.00 C ATOM 463 C TRP A 107 0.482 19.964 -11.781 1.00 1.00 C ATOM 464 O TRP A 107 -0.429 20.675 -12.214 1.00 1.00 O ATOM 465 CB TRP A 107 0.340 17.473 -12.109 1.00 1.00 C ATOM 466 CG TRP A 107 0.566 16.201 -12.870 1.00 1.00 C ATOM 467 CD1 TRP A 107 1.372 15.990 -13.940 1.00 1.00 C ATOM 468 CD2 TRP A 107 -0.042 14.910 -12.575 1.00 1.00 C ATOM 469 NE1 TRP A 107 1.312 14.660 -14.308 1.00 1.00 N ATOM 470 CE2 TRP A 107 0.531 13.937 -13.440 1.00 1.00 C ATOM 471 CE3 TRP A 107 -1.023 14.463 -11.665 1.00 1.00 C ATOM 472 CZ2 TRP A 107 0.230 12.576 -13.337 1.00 1.00 C ATOM 473 CZ3 TRP A 107 -1.411 13.111 -11.634 1.00 1.00 C ATOM 474 CH2 TRP A 107 -0.765 12.162 -12.443 1.00 1.00 C ATOM 0 H TRP A 107 2.797 17.782 -12.172 1.00 1.00 H new ATOM 0 HA TRP A 107 0.698 18.939 -13.637 1.00 1.00 H new ATOM 0 HB2 TRP A 107 0.677 17.307 -11.086 1.00 1.00 H new ATOM 0 HB3 TRP A 107 -0.736 17.642 -12.066 1.00 1.00 H new ATOM 0 HD1 TRP A 107 1.969 16.746 -14.429 1.00 1.00 H new ATOM 0 HE1 TRP A 107 1.787 14.266 -15.120 1.00 1.00 H new ATOM 0 HE3 TRP A 107 -1.481 15.166 -10.985 1.00 1.00 H new ATOM 0 HZ2 TRP A 107 0.759 11.852 -13.940 1.00 1.00 H new ATOM 0 HZ3 TRP A 107 -2.214 12.800 -10.982 1.00 1.00 H new ATOM 0 HH2 TRP A 107 -1.034 11.118 -12.376 1.00 1.00 H new ATOM 485 N LYS A 108 1.101 20.247 -10.624 1.00 1.00 N ATOM 486 CA LYS A 108 0.799 21.455 -9.832 1.00 1.00 C ATOM 487 C LYS A 108 1.181 22.741 -10.574 1.00 1.00 C ATOM 488 O LYS A 108 0.476 23.738 -10.442 1.00 1.00 O ATOM 489 CB LYS A 108 1.528 21.429 -8.484 1.00 1.00 C ATOM 490 CG LYS A 108 0.962 20.370 -7.540 1.00 1.00 C ATOM 491 CD LYS A 108 1.590 20.542 -6.157 1.00 1.00 C ATOM 492 CE LYS A 108 1.165 19.380 -5.248 1.00 1.00 C ATOM 493 NZ LYS A 108 1.651 19.592 -3.863 1.00 1.00 N ATOM 0 H LYS A 108 1.820 19.652 -10.212 1.00 1.00 H new ATOM 0 HA LYS A 108 -0.279 21.451 -9.668 1.00 1.00 H new ATOM 0 HB2 LYS A 108 2.588 21.236 -8.650 1.00 1.00 H new ATOM 0 HB3 LYS A 108 1.453 22.409 -8.014 1.00 1.00 H new ATOM 0 HG2 LYS A 108 -0.122 20.466 -7.475 1.00 1.00 H new ATOM 0 HG3 LYS A 108 1.171 19.372 -7.926 1.00 1.00 H new ATOM 0 HD2 LYS A 108 2.676 20.572 -6.241 1.00 1.00 H new ATOM 0 HD3 LYS A 108 1.278 21.491 -5.721 1.00 1.00 H new ATOM 0 HE2 LYS A 108 0.079 19.291 -5.248 1.00 1.00 H new ATOM 0 HE3 LYS A 108 1.562 18.443 -5.638 1.00 1.00 H new ATOM 0 HZ1 LYS A 108 1.855 18.672 -3.422 1.00 1.00 H new ATOM 0 HZ2 LYS A 108 2.518 20.166 -3.883 1.00 1.00 H new ATOM 0 HZ3 LYS A 108 0.921 20.086 -3.311 1.00 1.00 H new ATOM 507 N ALA A 109 2.261 22.721 -11.364 1.00 1.00 N ATOM 508 CA ALA A 109 2.666 23.860 -12.176 1.00 1.00 C ATOM 509 C ALA A 109 1.670 24.117 -13.317 1.00 1.00 C ATOM 510 O ALA A 109 1.221 25.243 -13.545 1.00 1.00 O ATOM 511 CB ALA A 109 4.056 23.576 -12.763 1.00 1.00 C ATOM 0 H ALA A 109 2.875 21.911 -11.454 1.00 1.00 H new ATOM 0 HA ALA A 109 2.689 24.749 -11.545 1.00 1.00 H new ATOM 0 HB1 ALA A 109 4.373 24.421 -13.374 1.00 1.00 H new ATOM 0 HB2 ALA A 109 4.770 23.427 -11.953 1.00 1.00 H new ATOM 0 HB3 ALA A 109 4.014 22.678 -13.380 1.00 1.00 H new ATOM 517 N LYS A 110 1.339 23.034 -14.033 1.00 1.00 N ATOM 518 CA LYS A 110 0.600 23.036 -15.280 1.00 1.00 C ATOM 519 C LYS A 110 -0.907 23.282 -15.135 1.00 1.00 C ATOM 520 O LYS A 110 -1.491 23.934 -16.003 1.00 1.00 O ATOM 521 CB LYS A 110 0.875 21.723 -16.027 1.00 1.00 C ATOM 522 CG LYS A 110 2.276 21.711 -16.666 1.00 1.00 C ATOM 523 CD LYS A 110 2.595 20.387 -17.382 1.00 1.00 C ATOM 524 CE LYS A 110 1.829 20.220 -18.706 1.00 1.00 C ATOM 525 NZ LYS A 110 2.411 21.037 -19.816 1.00 1.00 N ATOM 0 H LYS A 110 1.597 22.093 -13.735 1.00 1.00 H new ATOM 0 HA LYS A 110 0.960 23.890 -15.854 1.00 1.00 H new ATOM 0 HB2 LYS A 110 0.784 20.885 -15.335 1.00 1.00 H new ATOM 0 HB3 LYS A 110 0.121 21.581 -16.801 1.00 1.00 H new ATOM 0 HG2 LYS A 110 2.352 22.532 -17.379 1.00 1.00 H new ATOM 0 HG3 LYS A 110 3.024 21.890 -15.894 1.00 1.00 H new ATOM 0 HD2 LYS A 110 3.666 20.336 -17.579 1.00 1.00 H new ATOM 0 HD3 LYS A 110 2.352 19.555 -16.721 1.00 1.00 H new ATOM 0 HE2 LYS A 110 1.833 19.169 -18.993 1.00 1.00 H new ATOM 0 HE3 LYS A 110 0.788 20.506 -18.557 1.00 1.00 H new ATOM 0 HZ1 LYS A 110 1.858 20.888 -20.684 1.00 1.00 H new ATOM 0 HZ2 LYS A 110 2.384 22.044 -19.557 1.00 1.00 H new ATOM 0 HZ3 LYS A 110 3.397 20.748 -19.980 1.00 1.00 H new ATOM 539 N TRP A 111 -1.521 22.805 -14.043 1.00 1.00 N ATOM 540 CA TRP A 111 -2.976 22.903 -13.804 1.00 1.00 C ATOM 541 C TRP A 111 -3.343 23.389 -12.387 1.00 1.00 C ATOM 542 O TRP A 111 -4.178 24.289 -12.260 1.00 1.00 O ATOM 543 CB TRP A 111 -3.641 21.555 -14.116 1.00 1.00 C ATOM 544 CG TRP A 111 -3.424 21.042 -15.511 1.00 1.00 C ATOM 545 CD1 TRP A 111 -4.096 21.437 -16.615 1.00 1.00 C ATOM 546 CD2 TRP A 111 -2.432 20.082 -15.983 1.00 1.00 C ATOM 547 NE1 TRP A 111 -3.581 20.798 -17.730 1.00 1.00 N ATOM 548 CE2 TRP A 111 -2.534 19.963 -17.401 1.00 1.00 C ATOM 549 CE3 TRP A 111 -1.431 19.322 -15.350 1.00 1.00 C ATOM 550 CZ2 TRP A 111 -1.685 19.131 -18.149 1.00 1.00 C ATOM 551 CZ3 TRP A 111 -0.543 18.521 -16.095 1.00 1.00 C ATOM 552 CH2 TRP A 111 -0.681 18.405 -17.487 1.00 1.00 C ATOM 0 H TRP A 111 -1.020 22.334 -13.290 1.00 1.00 H new ATOM 0 HA TRP A 111 -3.358 23.669 -14.478 1.00 1.00 H new ATOM 0 HB2 TRP A 111 -3.268 20.812 -13.411 1.00 1.00 H new ATOM 0 HB3 TRP A 111 -4.713 21.648 -13.943 1.00 1.00 H new ATOM 0 HD1 TRP A 111 -4.912 22.145 -16.626 1.00 1.00 H new ATOM 0 HE1 TRP A 111 -3.933 20.929 -18.678 1.00 1.00 H new ATOM 0 HE3 TRP A 111 -1.342 19.353 -14.274 1.00 1.00 H new ATOM 0 HZ2 TRP A 111 -1.803 19.050 -19.220 1.00 1.00 H new ATOM 0 HZ3 TRP A 111 0.251 17.991 -15.590 1.00 1.00 H new ATOM 0 HH2 TRP A 111 -0.019 17.761 -18.046 1.00 1.00 H new ATOM 563 N GLY A 112 -2.715 22.852 -11.331 1.00 1.00 N ATOM 564 CA GLY A 112 -2.820 23.380 -9.956 1.00 1.00 C ATOM 565 C GLY A 112 -2.952 22.320 -8.858 1.00 1.00 C ATOM 566 O GLY A 112 -3.481 21.240 -9.117 1.00 1.00 O ATOM 0 H GLY A 112 -2.114 22.031 -11.404 1.00 1.00 H new ATOM 0 HA2 GLY A 112 -1.939 23.987 -9.749 1.00 1.00 H new ATOM 0 HA3 GLY A 112 -3.683 24.044 -9.904 1.00 1.00 H new ATOM 570 N PRO A 113 -2.542 22.604 -7.605 1.00 1.00 N ATOM 571 CA PRO A 113 -2.655 21.654 -6.490 1.00 1.00 C ATOM 572 C PRO A 113 -4.101 21.250 -6.164 1.00 1.00 C ATOM 573 O PRO A 113 -4.347 20.091 -5.848 1.00 1.00 O ATOM 574 CB PRO A 113 -1.959 22.315 -5.296 1.00 1.00 C ATOM 575 CG PRO A 113 -1.934 23.801 -5.644 1.00 1.00 C ATOM 576 CD PRO A 113 -1.890 23.831 -7.167 1.00 1.00 C ATOM 0 HA PRO A 113 -2.180 20.710 -6.759 1.00 1.00 H new ATOM 0 HB2 PRO A 113 -2.503 22.133 -4.369 1.00 1.00 H new ATOM 0 HB3 PRO A 113 -0.952 21.923 -5.157 1.00 1.00 H new ATOM 0 HG2 PRO A 113 -2.816 24.314 -5.261 1.00 1.00 H new ATOM 0 HG3 PRO A 113 -1.065 24.296 -5.211 1.00 1.00 H new ATOM 0 HD2 PRO A 113 -2.406 24.709 -7.556 1.00 1.00 H new ATOM 0 HD3 PRO A 113 -0.863 23.879 -7.528 1.00 1.00 H new ATOM 584 N GLU A 114 -5.072 22.161 -6.313 1.00 1.00 N ATOM 585 CA GLU A 114 -6.493 21.875 -6.072 1.00 1.00 C ATOM 586 C GLU A 114 -7.003 20.772 -6.997 1.00 1.00 C ATOM 587 O GLU A 114 -7.661 19.820 -6.578 1.00 1.00 O ATOM 588 CB GLU A 114 -7.335 23.128 -6.329 1.00 1.00 C ATOM 589 CG GLU A 114 -6.774 24.400 -5.696 1.00 1.00 C ATOM 590 CD GLU A 114 -7.784 25.559 -5.787 1.00 1.00 C ATOM 591 OE1 GLU A 114 -7.781 26.297 -6.803 1.00 1.00 O ATOM 592 OE2 GLU A 114 -8.593 25.741 -4.845 1.00 1.00 O ATOM 0 H GLU A 114 -4.893 23.122 -6.605 1.00 1.00 H new ATOM 0 HA GLU A 114 -6.585 21.553 -5.035 1.00 1.00 H new ATOM 0 HB2 GLU A 114 -7.422 23.279 -7.405 1.00 1.00 H new ATOM 0 HB3 GLU A 114 -8.342 22.960 -5.948 1.00 1.00 H new ATOM 0 HG2 GLU A 114 -6.526 24.211 -4.651 1.00 1.00 H new ATOM 0 HG3 GLU A 114 -5.848 24.681 -6.197 1.00 1.00 H new ATOM 599 N ALA A 115 -6.636 20.919 -8.271 1.00 1.00 N ATOM 600 CA ALA A 115 -6.921 19.963 -9.329 1.00 1.00 C ATOM 601 C ALA A 115 -6.293 18.607 -8.995 1.00 1.00 C ATOM 602 O ALA A 115 -6.967 17.584 -8.898 1.00 1.00 O ATOM 603 CB ALA A 115 -6.349 20.511 -10.642 1.00 1.00 C ATOM 0 H ALA A 115 -6.117 21.733 -8.599 1.00 1.00 H new ATOM 0 HA ALA A 115 -7.997 19.821 -9.427 1.00 1.00 H new ATOM 0 HB1 ALA A 115 -6.553 19.807 -11.449 1.00 1.00 H new ATOM 0 HB2 ALA A 115 -6.815 21.470 -10.870 1.00 1.00 H new ATOM 0 HB3 ALA A 115 -5.272 20.646 -10.541 1.00 1.00 H new ATOM 609 N VAL A 116 -4.984 18.647 -8.745 1.00 1.00 N ATOM 610 CA VAL A 116 -4.135 17.493 -8.503 1.00 1.00 C ATOM 611 C VAL A 116 -4.618 16.659 -7.315 1.00 1.00 C ATOM 612 O VAL A 116 -4.769 15.445 -7.437 1.00 1.00 O ATOM 613 CB VAL A 116 -2.690 17.988 -8.337 1.00 1.00 C ATOM 614 CG1 VAL A 116 -1.717 16.968 -7.744 1.00 1.00 C ATOM 615 CG2 VAL A 116 -2.158 18.419 -9.711 1.00 1.00 C ATOM 0 H VAL A 116 -4.469 19.527 -8.705 1.00 1.00 H new ATOM 0 HA VAL A 116 -4.183 16.815 -9.355 1.00 1.00 H new ATOM 0 HB VAL A 116 -2.739 18.810 -7.623 1.00 1.00 H new ATOM 0 HG11 VAL A 116 -0.725 17.413 -7.668 1.00 1.00 H new ATOM 0 HG12 VAL A 116 -2.059 16.672 -6.752 1.00 1.00 H new ATOM 0 HG13 VAL A 116 -1.672 16.090 -8.389 1.00 1.00 H new ATOM 0 HG21 VAL A 116 -1.132 18.773 -9.609 1.00 1.00 H new ATOM 0 HG22 VAL A 116 -2.183 17.569 -10.393 1.00 1.00 H new ATOM 0 HG23 VAL A 116 -2.781 19.221 -10.107 1.00 1.00 H new ATOM 625 N GLU A 117 -4.924 17.298 -6.184 1.00 1.00 N ATOM 626 CA GLU A 117 -5.478 16.619 -5.010 1.00 1.00 C ATOM 627 C GLU A 117 -6.896 16.079 -5.265 1.00 1.00 C ATOM 628 O GLU A 117 -7.240 15.002 -4.771 1.00 1.00 O ATOM 629 CB GLU A 117 -5.520 17.580 -3.809 1.00 1.00 C ATOM 630 CG GLU A 117 -4.137 17.944 -3.260 1.00 1.00 C ATOM 631 CD GLU A 117 -4.292 18.864 -2.028 1.00 1.00 C ATOM 632 OE1 GLU A 117 -4.676 18.365 -0.940 1.00 1.00 O ATOM 633 OE2 GLU A 117 -4.062 20.096 -2.136 1.00 1.00 O ATOM 0 H GLU A 117 -4.795 18.302 -6.056 1.00 1.00 H new ATOM 0 HA GLU A 117 -4.824 15.774 -4.796 1.00 1.00 H new ATOM 0 HB2 GLU A 117 -6.035 18.494 -4.105 1.00 1.00 H new ATOM 0 HB3 GLU A 117 -6.109 17.125 -3.012 1.00 1.00 H new ATOM 0 HG2 GLU A 117 -3.595 17.039 -2.985 1.00 1.00 H new ATOM 0 HG3 GLU A 117 -3.550 18.446 -4.029 1.00 1.00 H new ATOM 640 N SER A 118 -7.717 16.786 -6.053 1.00 1.00 N ATOM 641 CA SER A 118 -9.075 16.346 -6.403 1.00 1.00 C ATOM 642 C SER A 118 -9.073 15.067 -7.255 1.00 1.00 C ATOM 643 O SER A 118 -9.935 14.197 -7.093 1.00 1.00 O ATOM 644 CB SER A 118 -9.839 17.471 -7.117 1.00 1.00 C ATOM 645 OG SER A 118 -11.202 17.115 -7.297 1.00 1.00 O ATOM 0 H SER A 118 -7.458 17.681 -6.467 1.00 1.00 H new ATOM 0 HA SER A 118 -9.586 16.108 -5.470 1.00 1.00 H new ATOM 0 HB2 SER A 118 -9.772 18.390 -6.535 1.00 1.00 H new ATOM 0 HB3 SER A 118 -9.380 17.672 -8.085 1.00 1.00 H new ATOM 0 HG SER A 118 -11.673 17.844 -7.752 1.00 1.00 H new ATOM 651 N TRP A 119 -8.065 14.908 -8.117 1.00 1.00 N ATOM 652 CA TRP A 119 -7.852 13.701 -8.922 1.00 1.00 C ATOM 653 C TRP A 119 -7.345 12.487 -8.112 1.00 1.00 C ATOM 654 O TRP A 119 -7.254 11.388 -8.671 1.00 1.00 O ATOM 655 CB TRP A 119 -6.841 13.978 -10.048 1.00 1.00 C ATOM 656 CG TRP A 119 -7.038 15.165 -10.949 1.00 1.00 C ATOM 657 CD1 TRP A 119 -8.209 15.776 -11.244 1.00 1.00 C ATOM 658 CD2 TRP A 119 -6.013 15.887 -11.706 1.00 1.00 C ATOM 659 NE1 TRP A 119 -7.978 16.839 -12.098 1.00 1.00 N ATOM 660 CE2 TRP A 119 -6.641 16.955 -12.415 1.00 1.00 C ATOM 661 CE3 TRP A 119 -4.616 15.743 -11.877 1.00 1.00 C ATOM 662 CZ2 TRP A 119 -5.920 17.844 -13.229 1.00 1.00 C ATOM 663 CZ3 TRP A 119 -3.883 16.617 -12.707 1.00 1.00 C ATOM 664 CH2 TRP A 119 -4.534 17.668 -13.379 1.00 1.00 C ATOM 0 H TRP A 119 -7.361 15.628 -8.278 1.00 1.00 H new ATOM 0 HA TRP A 119 -8.834 13.447 -9.321 1.00 1.00 H new ATOM 0 HB2 TRP A 119 -5.859 14.079 -9.586 1.00 1.00 H new ATOM 0 HB3 TRP A 119 -6.807 13.091 -10.680 1.00 1.00 H new ATOM 0 HD1 TRP A 119 -9.177 15.479 -10.869 1.00 1.00 H new ATOM 0 HE1 TRP A 119 -8.706 17.460 -12.450 1.00 1.00 H new ATOM 0 HE3 TRP A 119 -4.100 14.947 -11.361 1.00 1.00 H new ATOM 0 HZ2 TRP A 119 -6.425 18.654 -13.734 1.00 1.00 H new ATOM 0 HZ3 TRP A 119 -2.819 16.479 -12.827 1.00 1.00 H new ATOM 0 HH2 TRP A 119 -3.969 18.339 -14.009 1.00 1.00 H new ATOM 675 N ALA A 120 -6.959 12.655 -6.839 1.00 1.00 N ATOM 676 CA ALA A 120 -6.340 11.602 -6.056 1.00 1.00 C ATOM 677 C ALA A 120 -7.281 10.452 -5.659 1.00 1.00 C ATOM 678 O ALA A 120 -8.513 10.518 -5.710 1.00 1.00 O ATOM 679 CB ALA A 120 -5.646 12.175 -4.810 1.00 1.00 C ATOM 0 H ALA A 120 -7.072 13.532 -6.331 1.00 1.00 H new ATOM 0 HA ALA A 120 -5.600 11.160 -6.723 1.00 1.00 H new ATOM 0 HB1 ALA A 120 -5.191 11.364 -4.242 1.00 1.00 H new ATOM 0 HB2 ALA A 120 -4.874 12.881 -5.116 1.00 1.00 H new ATOM 0 HB3 ALA A 120 -6.380 12.687 -4.188 1.00 1.00 H new ATOM 685 N THR A 121 -6.607 9.422 -5.171 1.00 1.00 N ATOM 686 CA THR A 121 -7.088 8.108 -4.735 1.00 1.00 C ATOM 687 C THR A 121 -6.261 7.675 -3.535 1.00 1.00 C ATOM 688 O THR A 121 -5.048 7.839 -3.535 1.00 1.00 O ATOM 689 CB THR A 121 -6.872 7.097 -5.863 1.00 1.00 C ATOM 690 OG1 THR A 121 -7.560 7.486 -7.035 1.00 1.00 O ATOM 691 CG2 THR A 121 -7.395 5.722 -5.464 1.00 1.00 C ATOM 0 H THR A 121 -5.596 9.488 -5.056 1.00 1.00 H new ATOM 0 HA THR A 121 -8.146 8.159 -4.479 1.00 1.00 H new ATOM 0 HB THR A 121 -5.799 7.060 -6.051 1.00 1.00 H new ATOM 0 HG1 THR A 121 -7.404 6.824 -7.741 1.00 1.00 H new ATOM 0 HG21 THR A 121 -7.231 5.019 -6.281 1.00 1.00 H new ATOM 0 HG22 THR A 121 -6.867 5.376 -4.576 1.00 1.00 H new ATOM 0 HG23 THR A 121 -8.462 5.787 -5.250 1.00 1.00 H new ATOM 699 N LEU A 122 -6.887 7.087 -2.522 1.00 1.00 N ATOM 700 CA LEU A 122 -6.233 6.658 -1.284 1.00 1.00 C ATOM 701 C LEU A 122 -5.931 5.156 -1.352 1.00 1.00 C ATOM 702 O LEU A 122 -6.822 4.345 -1.611 1.00 1.00 O ATOM 703 CB LEU A 122 -7.164 7.025 -0.115 1.00 1.00 C ATOM 704 CG LEU A 122 -6.775 6.411 1.247 1.00 1.00 C ATOM 705 CD1 LEU A 122 -5.379 6.798 1.736 1.00 1.00 C ATOM 706 CD2 LEU A 122 -7.779 6.833 2.315 1.00 1.00 C ATOM 0 H LEU A 122 -7.888 6.889 -2.536 1.00 1.00 H new ATOM 0 HA LEU A 122 -5.276 7.159 -1.138 1.00 1.00 H new ATOM 0 HB2 LEU A 122 -7.186 8.110 -0.014 1.00 1.00 H new ATOM 0 HB3 LEU A 122 -8.177 6.708 -0.364 1.00 1.00 H new ATOM 0 HG LEU A 122 -6.778 5.333 1.087 1.00 1.00 H new ATOM 0 HD11 LEU A 122 -5.186 6.324 2.699 1.00 1.00 H new ATOM 0 HD12 LEU A 122 -4.635 6.465 1.012 1.00 1.00 H new ATOM 0 HD13 LEU A 122 -5.319 7.881 1.846 1.00 1.00 H new ATOM 0 HD21 LEU A 122 -7.497 6.395 3.273 1.00 1.00 H new ATOM 0 HD22 LEU A 122 -7.784 7.920 2.400 1.00 1.00 H new ATOM 0 HD23 LEU A 122 -8.774 6.486 2.036 1.00 1.00 H new ATOM 718 N LEU A 123 -4.671 4.805 -1.091 1.00 1.00 N ATOM 719 CA LEU A 123 -4.124 3.454 -1.165 1.00 1.00 C ATOM 720 C LEU A 123 -3.453 3.063 0.157 1.00 1.00 C ATOM 721 O LEU A 123 -2.528 3.716 0.644 1.00 1.00 O ATOM 722 CB LEU A 123 -3.143 3.382 -2.350 1.00 1.00 C ATOM 723 CG LEU A 123 -3.779 3.702 -3.712 1.00 1.00 C ATOM 724 CD1 LEU A 123 -2.699 3.609 -4.780 1.00 1.00 C ATOM 725 CD2 LEU A 123 -4.890 2.724 -4.097 1.00 1.00 C ATOM 0 H LEU A 123 -3.971 5.491 -0.808 1.00 1.00 H new ATOM 0 HA LEU A 123 -4.928 2.737 -1.330 1.00 1.00 H new ATOM 0 HB2 LEU A 123 -2.323 4.078 -2.172 1.00 1.00 H new ATOM 0 HB3 LEU A 123 -2.710 2.382 -2.389 1.00 1.00 H new ATOM 0 HG LEU A 123 -4.214 4.699 -3.638 1.00 1.00 H new ATOM 0 HD11 LEU A 123 -3.131 3.833 -5.755 1.00 1.00 H new ATOM 0 HD12 LEU A 123 -1.908 4.326 -4.561 1.00 1.00 H new ATOM 0 HD13 LEU A 123 -2.283 2.601 -4.790 1.00 1.00 H new ATOM 0 HD21 LEU A 123 -5.300 3.003 -5.068 1.00 1.00 H new ATOM 0 HD22 LEU A 123 -4.483 1.714 -4.151 1.00 1.00 H new ATOM 0 HD23 LEU A 123 -5.680 2.757 -3.347 1.00 1.00 H new ATOM 737 N GLY A 124 -3.941 1.966 0.741 1.00 1.00 N ATOM 738 CA GLY A 124 -3.508 1.474 2.060 1.00 1.00 C ATOM 739 C GLY A 124 -2.105 0.847 2.094 1.00 1.00 C ATOM 740 O GLY A 124 -1.504 0.759 3.168 1.00 1.00 O ATOM 0 H GLY A 124 -4.658 1.383 0.309 1.00 1.00 H new ATOM 0 HA2 GLY A 124 -3.536 2.303 2.767 1.00 1.00 H new ATOM 0 HA3 GLY A 124 -4.228 0.734 2.409 1.00 1.00 H new ATOM 744 N HIS A 125 -1.579 0.424 0.938 1.00 1.00 N ATOM 745 CA HIS A 125 -0.246 -0.175 0.761 1.00 1.00 C ATOM 746 C HIS A 125 0.317 0.067 -0.655 1.00 1.00 C ATOM 747 O HIS A 125 1.533 0.337 -0.775 1.00 1.00 O ATOM 748 CB HIS A 125 -0.290 -1.680 1.109 1.00 1.00 C ATOM 749 CG HIS A 125 -1.331 -2.505 0.385 1.00 1.00 C ATOM 750 ND1 HIS A 125 -1.728 -2.349 -0.930 1.00 1.00 N ATOM 751 CD2 HIS A 125 -2.033 -3.561 0.903 1.00 1.00 C ATOM 752 CE1 HIS A 125 -2.660 -3.282 -1.207 1.00 1.00 C ATOM 753 NE2 HIS A 125 -2.861 -4.034 -0.104 1.00 1.00 N ATOM 0 H HIS A 125 -2.093 0.492 0.059 1.00 1.00 H new ATOM 0 HA HIS A 125 0.439 0.319 1.450 1.00 1.00 H new ATOM 0 HB2 HIS A 125 0.691 -2.108 0.901 1.00 1.00 H new ATOM 0 HB3 HIS A 125 -0.460 -1.778 2.181 1.00 1.00 H new ATOM 0 HD2 HIS A 125 -1.956 -3.952 1.907 1.00 1.00 H new ATOM 0 HE1 HIS A 125 -3.163 -3.407 -2.155 1.00 1.00 H new ATOM 0 HE2 HIS A 125 -3.511 -4.816 -0.025 1.00 1.00 H new TER 762 HIS A 125 ATOM 763 O5' DC B 1 -3.666 27.763 6.635 1.00 1.00 O ATOM 764 C5' DC B 1 -3.871 28.882 7.507 1.00 1.00 C ATOM 765 C4' DC B 1 -3.098 28.793 8.838 1.00 1.00 C ATOM 766 O4' DC B 1 -3.616 27.755 9.665 1.00 1.00 O ATOM 767 C3' DC B 1 -1.597 28.562 8.618 1.00 1.00 C ATOM 768 O3' DC B 1 -0.833 29.489 9.391 1.00 1.00 O ATOM 769 C2' DC B 1 -1.415 27.105 9.027 1.00 1.00 C ATOM 770 C1' DC B 1 -2.571 26.855 9.998 1.00 1.00 C ATOM 771 N1 DC B 1 -3.096 25.470 9.956 1.00 1.00 N ATOM 772 C2 DC B 1 -3.298 24.745 11.137 1.00 1.00 C ATOM 773 O2 DC B 1 -2.995 25.194 12.243 1.00 1.00 O ATOM 774 N3 DC B 1 -3.852 23.508 11.104 1.00 1.00 N ATOM 775 C4 DC B 1 -4.154 22.993 9.928 1.00 1.00 C ATOM 776 N4 DC B 1 -4.707 21.813 9.950 1.00 1.00 N ATOM 777 C5 DC B 1 -3.959 23.677 8.695 1.00 1.00 C ATOM 778 C6 DC B 1 -3.433 24.919 8.758 1.00 1.00 C ATOM 0 H5' DC B 1 -4.936 28.970 7.723 1.00 1.00 H new ATOM 0 H5'' DC B 1 -3.574 29.793 6.987 1.00 1.00 H new ATOM 0 H4' DC B 1 -3.230 29.753 9.336 1.00 1.00 H new ATOM 0 H3' DC B 1 -1.250 28.729 7.598 1.00 1.00 H new ATOM 0 H2' DC B 1 -1.464 26.438 8.166 1.00 1.00 H new ATOM 0 H2'' DC B 1 -0.449 26.940 9.504 1.00 1.00 H new ATOM 0 HO5' DC B 1 -4.187 27.888 5.814 1.00 1.00 H new ATOM 0 H1' DC B 1 -2.193 27.009 11.009 1.00 1.00 H new ATOM 0 H41 DC B 1 -4.967 21.355 9.076 1.00 1.00 H new ATOM 0 H42 DC B 1 -4.880 21.347 10.841 1.00 1.00 H new ATOM 0 H5 DC B 1 -4.220 23.223 7.751 1.00 1.00 H new ATOM 0 H6 DC B 1 -3.278 25.481 7.849 1.00 1.00 H new ATOM 791 P DG B 2 0.790 29.557 9.343 1.00 1.00 P ATOM 792 OP1 DG B 2 1.190 30.944 9.713 1.00 1.00 O ATOM 793 OP2 DG B 2 1.254 29.017 8.035 1.00 1.00 O ATOM 794 O5' DG B 2 1.280 28.543 10.516 1.00 1.00 O ATOM 795 C5' DG B 2 1.096 28.864 11.895 1.00 1.00 C ATOM 796 C4' DG B 2 1.648 27.807 12.872 1.00 1.00 C ATOM 797 O4' DG B 2 0.784 26.668 12.941 1.00 1.00 O ATOM 798 C3' DG B 2 3.067 27.322 12.522 1.00 1.00 C ATOM 799 O3' DG B 2 3.883 27.324 13.693 1.00 1.00 O ATOM 800 C2' DG B 2 2.769 25.936 11.947 1.00 1.00 C ATOM 801 C1' DG B 2 1.564 25.495 12.775 1.00 1.00 C ATOM 802 N9 DG B 2 0.764 24.438 12.121 1.00 1.00 N ATOM 803 C8 DG B 2 0.354 24.402 10.818 1.00 1.00 C ATOM 804 N7 DG B 2 -0.386 23.372 10.503 1.00 1.00 N ATOM 805 C5 DG B 2 -0.444 22.645 11.703 1.00 1.00 C ATOM 806 C6 DG B 2 -1.088 21.399 12.034 1.00 1.00 C ATOM 807 O6 DG B 2 -1.817 20.688 11.343 1.00 1.00 O ATOM 808 N1 DG B 2 -0.841 20.974 13.319 1.00 1.00 N ATOM 809 C2 DG B 2 -0.096 21.669 14.210 1.00 1.00 C ATOM 810 N2 DG B 2 0.050 21.131 15.390 1.00 1.00 N ATOM 811 N3 DG B 2 0.487 22.843 13.972 1.00 1.00 N ATOM 812 C4 DG B 2 0.286 23.278 12.690 1.00 1.00 C ATOM 0 H5' DG B 2 0.031 28.997 12.086 1.00 1.00 H new ATOM 0 H5'' DG B 2 1.579 29.819 12.101 1.00 1.00 H new ATOM 0 H4' DG B 2 1.696 28.312 13.837 1.00 1.00 H new ATOM 0 H3' DG B 2 3.634 27.936 11.822 1.00 1.00 H new ATOM 0 H2' DG B 2 2.538 25.978 10.883 1.00 1.00 H new ATOM 0 H2'' DG B 2 3.614 25.257 12.063 1.00 1.00 H new ATOM 0 H1' DG B 2 1.892 25.059 13.719 1.00 1.00 H new ATOM 0 H8 DG B 2 0.621 25.166 10.103 1.00 1.00 H new ATOM 0 H1 DG B 2 -1.242 20.085 13.617 1.00 1.00 H new ATOM 0 H21 DG B 2 0.601 21.608 16.103 1.00 1.00 H new ATOM 0 H22 DG B 2 -0.387 20.233 15.599 1.00 1.00 H new ATOM 824 P DC B 3 5.443 26.863 13.691 1.00 1.00 P ATOM 825 OP1 DC B 3 6.160 27.678 14.713 1.00 1.00 O ATOM 826 OP2 DC B 3 5.961 26.866 12.293 1.00 1.00 O ATOM 827 O5' DC B 3 5.374 25.327 14.210 1.00 1.00 O ATOM 828 C5' DC B 3 4.979 25.033 15.549 1.00 1.00 C ATOM 829 C4' DC B 3 4.883 23.533 15.862 1.00 1.00 C ATOM 830 O4' DC B 3 3.813 22.954 15.129 1.00 1.00 O ATOM 831 C3' DC B 3 6.178 22.753 15.572 1.00 1.00 C ATOM 832 O3' DC B 3 6.726 22.253 16.792 1.00 1.00 O ATOM 833 C2' DC B 3 5.728 21.651 14.610 1.00 1.00 C ATOM 834 C1' DC B 3 4.203 21.677 14.665 1.00 1.00 C ATOM 835 N1 DC B 3 3.591 21.440 13.336 1.00 1.00 N ATOM 836 C2 DC B 3 2.802 20.304 13.122 1.00 1.00 C ATOM 837 O2 DC B 3 2.639 19.445 13.988 1.00 1.00 O ATOM 838 N3 DC B 3 2.180 20.108 11.937 1.00 1.00 N ATOM 839 C4 DC B 3 2.366 20.995 10.985 1.00 1.00 C ATOM 840 N4 DC B 3 1.722 20.751 9.879 1.00 1.00 N ATOM 841 C5 DC B 3 3.179 22.157 11.124 1.00 1.00 C ATOM 842 C6 DC B 3 3.780 22.345 12.327 1.00 1.00 C ATOM 0 H5' DC B 3 4.011 25.495 15.740 1.00 1.00 H new ATOM 0 H5'' DC B 3 5.692 25.491 16.235 1.00 1.00 H new ATOM 0 H4' DC B 3 4.705 23.459 16.935 1.00 1.00 H new ATOM 0 H3' DC B 3 6.976 23.351 15.132 1.00 1.00 H new ATOM 0 H2' DC B 3 6.090 21.838 13.599 1.00 1.00 H new ATOM 0 H2'' DC B 3 6.117 20.679 14.913 1.00 1.00 H new ATOM 0 H1' DC B 3 3.863 20.881 15.327 1.00 1.00 H new ATOM 0 H41 DC B 3 1.809 21.388 9.087 1.00 1.00 H new ATOM 0 H42 DC B 3 1.131 19.923 9.805 1.00 1.00 H new ATOM 0 H5 DC B 3 3.311 22.855 10.311 1.00 1.00 H new ATOM 0 H6 DC B 3 4.408 23.209 12.488 1.00 1.00 H new ATOM 854 P DA B 4 8.184 21.536 16.879 1.00 1.00 P ATOM 855 OP1 DA B 4 8.605 21.548 18.310 1.00 1.00 O ATOM 856 OP2 DA B 4 9.092 22.155 15.873 1.00 1.00 O ATOM 857 O5' DA B 4 7.917 19.999 16.436 1.00 1.00 O ATOM 858 C5' DA B 4 7.093 19.141 17.226 1.00 1.00 C ATOM 859 C4' DA B 4 6.801 17.780 16.572 1.00 1.00 C ATOM 860 O4' DA B 4 5.853 17.893 15.512 1.00 1.00 O ATOM 861 C3' DA B 4 8.060 17.072 16.026 1.00 1.00 C ATOM 862 O3' DA B 4 8.194 15.781 16.613 1.00 1.00 O ATOM 863 C2' DA B 4 7.780 17.061 14.524 1.00 1.00 C ATOM 864 C1' DA B 4 6.258 17.019 14.474 1.00 1.00 C ATOM 865 N9 DA B 4 5.736 17.508 13.187 1.00 1.00 N ATOM 866 C8 DA B 4 6.051 18.693 12.585 1.00 1.00 C ATOM 867 N7 DA B 4 5.393 18.938 11.484 1.00 1.00 N ATOM 868 C5 DA B 4 4.621 17.774 11.331 1.00 1.00 C ATOM 869 C6 DA B 4 3.699 17.312 10.363 1.00 1.00 C ATOM 870 N6 DA B 4 3.323 18.020 9.320 1.00 1.00 N ATOM 871 N1 DA B 4 3.147 16.096 10.433 1.00 1.00 N ATOM 872 C2 DA B 4 3.474 15.342 11.475 1.00 1.00 C ATOM 873 N3 DA B 4 4.300 15.638 12.474 1.00 1.00 N ATOM 874 C4 DA B 4 4.846 16.882 12.343 1.00 1.00 C ATOM 0 H5' DA B 4 6.148 19.646 17.428 1.00 1.00 H new ATOM 0 H5'' DA B 4 7.577 18.974 18.188 1.00 1.00 H new ATOM 0 H4' DA B 4 6.392 17.172 17.379 1.00 1.00 H new ATOM 0 H3' DA B 4 9.012 17.551 16.255 1.00 1.00 H new ATOM 0 H2' DA B 4 8.178 17.947 14.030 1.00 1.00 H new ATOM 0 H2'' DA B 4 8.226 16.196 14.034 1.00 1.00 H new ATOM 0 H1' DA B 4 5.884 16.001 14.587 1.00 1.00 H new ATOM 0 H8 DA B 4 6.786 19.374 12.988 1.00 1.00 H new ATOM 0 H61 DA B 4 2.654 17.632 8.655 1.00 1.00 H new ATOM 0 H62 DA B 4 3.701 18.957 9.176 1.00 1.00 H new ATOM 0 H2 DA B 4 3.012 14.367 11.517 1.00 1.00 H new ATOM 886 P DT B 5 9.499 14.844 16.371 1.00 1.00 P ATOM 887 OP1 DT B 5 9.621 13.926 17.540 1.00 1.00 O ATOM 888 OP2 DT B 5 10.666 15.704 16.030 1.00 1.00 O ATOM 889 O5' DT B 5 9.112 13.969 15.063 1.00 1.00 O ATOM 890 C5' DT B 5 8.065 13.004 15.116 1.00 1.00 C ATOM 891 C4' DT B 5 7.802 12.303 13.773 1.00 1.00 C ATOM 892 O4' DT B 5 7.159 13.187 12.861 1.00 1.00 O ATOM 893 C3' DT B 5 9.081 11.755 13.108 1.00 1.00 C ATOM 894 O3' DT B 5 8.911 10.365 12.844 1.00 1.00 O ATOM 895 C2' DT B 5 9.192 12.635 11.863 1.00 1.00 C ATOM 896 C1' DT B 5 7.735 13.001 11.583 1.00 1.00 C ATOM 897 N1 DT B 5 7.534 14.233 10.766 1.00 1.00 N ATOM 898 C2 DT B 5 6.613 14.175 9.714 1.00 1.00 C ATOM 899 O2 DT B 5 6.052 13.142 9.360 1.00 1.00 O ATOM 900 N3 DT B 5 6.345 15.342 9.038 1.00 1.00 N ATOM 901 C4 DT B 5 6.982 16.542 9.256 1.00 1.00 C ATOM 902 O4 DT B 5 6.656 17.512 8.580 1.00 1.00 O ATOM 903 C5 DT B 5 8.002 16.521 10.305 1.00 1.00 C ATOM 904 C7 DT B 5 8.836 17.756 10.590 1.00 1.00 C ATOM 905 C6 DT B 5 8.225 15.398 11.035 1.00 1.00 C ATOM 0 H5' DT B 5 7.149 13.493 15.446 1.00 1.00 H new ATOM 0 H5'' DT B 5 8.313 12.253 15.866 1.00 1.00 H new ATOM 0 H4' DT B 5 7.157 11.455 14.006 1.00 1.00 H new ATOM 0 H3' DT B 5 9.995 11.801 13.701 1.00 1.00 H new ATOM 0 H2' DT B 5 9.804 13.518 12.044 1.00 1.00 H new ATOM 0 H2'' DT B 5 9.643 12.100 11.027 1.00 1.00 H new ATOM 0 H1' DT B 5 7.281 12.209 10.988 1.00 1.00 H new ATOM 0 H3 DT B 5 5.620 15.316 8.321 1.00 1.00 H new ATOM 0 H71 DT B 5 9.119 17.769 11.643 1.00 1.00 H new ATOM 0 H72 DT B 5 9.734 17.739 9.973 1.00 1.00 H new ATOM 0 H73 DT B 5 8.255 18.649 10.360 1.00 1.00 H new ATOM 0 H6 DT B 5 8.951 15.416 11.835 1.00 1.00 H new ATOM 918 P DA B 6 10.044 9.449 12.129 1.00 1.00 P ATOM 919 OP1 DA B 6 10.035 8.109 12.782 1.00 1.00 O ATOM 920 OP2 DA B 6 11.332 10.194 12.057 1.00 1.00 O ATOM 921 O5' DA B 6 9.447 9.305 10.628 1.00 1.00 O ATOM 922 C5' DA B 6 8.215 8.618 10.413 1.00 1.00 C ATOM 923 C4' DA B 6 7.775 8.542 8.944 1.00 1.00 C ATOM 924 O4' DA B 6 7.353 9.825 8.487 1.00 1.00 O ATOM 925 C3' DA B 6 8.868 8.010 8.001 1.00 1.00 C ATOM 926 O3' DA B 6 8.291 7.054 7.115 1.00 1.00 O ATOM 927 C2' DA B 6 9.362 9.300 7.356 1.00 1.00 C ATOM 928 C1' DA B 6 8.128 10.198 7.359 1.00 1.00 C ATOM 929 N9 DA B 6 8.480 11.629 7.442 1.00 1.00 N ATOM 930 C8 DA B 6 9.458 12.216 8.204 1.00 1.00 C ATOM 931 N7 DA B 6 9.600 13.503 8.022 1.00 1.00 N ATOM 932 C5 DA B 6 8.632 13.775 7.044 1.00 1.00 C ATOM 933 C6 DA B 6 8.221 14.937 6.346 1.00 1.00 C ATOM 934 N6 DA B 6 8.737 16.140 6.516 1.00 1.00 N ATOM 935 N1 DA B 6 7.256 14.886 5.433 1.00 1.00 N ATOM 936 C2 DA B 6 6.682 13.716 5.193 1.00 1.00 C ATOM 937 N3 DA B 6 6.942 12.551 5.772 1.00 1.00 N ATOM 938 C4 DA B 6 7.939 12.647 6.694 1.00 1.00 C ATOM 0 H5' DA B 6 7.433 9.113 10.988 1.00 1.00 H new ATOM 0 H5'' DA B 6 8.306 7.605 10.805 1.00 1.00 H new ATOM 0 H4' DA B 6 6.949 7.831 8.917 1.00 1.00 H new ATOM 0 H3' DA B 6 9.696 7.464 8.453 1.00 1.00 H new ATOM 0 H2' DA B 6 10.182 9.743 7.922 1.00 1.00 H new ATOM 0 H2'' DA B 6 9.730 9.127 6.345 1.00 1.00 H new ATOM 0 H1' DA B 6 7.578 10.068 6.427 1.00 1.00 H new ATOM 0 H8 DA B 6 10.065 11.657 8.901 1.00 1.00 H new ATOM 0 H61 DA B 6 8.384 16.928 5.972 1.00 1.00 H new ATOM 0 H62 DA B 6 9.489 16.282 7.191 1.00 1.00 H new ATOM 0 H2 DA B 6 5.911 13.710 4.436 1.00 1.00 H new ATOM 950 P DT B 7 9.108 6.349 5.901 1.00 1.00 P ATOM 951 OP1 DT B 7 8.466 5.035 5.617 1.00 1.00 O ATOM 952 OP2 DT B 7 10.570 6.377 6.197 1.00 1.00 O ATOM 953 O5' DT B 7 8.799 7.355 4.673 1.00 1.00 O ATOM 954 C5' DT B 7 7.457 7.584 4.265 1.00 1.00 C ATOM 955 C4' DT B 7 7.315 8.724 3.251 1.00 1.00 C ATOM 956 O4' DT B 7 7.724 9.954 3.827 1.00 1.00 O ATOM 957 C3' DT B 7 8.106 8.506 1.949 1.00 1.00 C ATOM 958 O3' DT B 7 7.240 8.714 0.838 1.00 1.00 O ATOM 959 C2' DT B 7 9.173 9.585 2.052 1.00 1.00 C ATOM 960 C1' DT B 7 8.411 10.663 2.817 1.00 1.00 C ATOM 961 N1 DT B 7 9.300 11.694 3.403 1.00 1.00 N ATOM 962 C2 DT B 7 9.124 13.024 3.008 1.00 1.00 C ATOM 963 O2 DT B 7 8.324 13.394 2.149 1.00 1.00 O ATOM 964 N3 DT B 7 9.917 13.958 3.628 1.00 1.00 N ATOM 965 C4 DT B 7 10.917 13.696 4.529 1.00 1.00 C ATOM 966 O4 DT B 7 11.562 14.649 4.965 1.00 1.00 O ATOM 967 C5 DT B 7 11.092 12.279 4.856 1.00 1.00 C ATOM 968 C7 DT B 7 12.180 11.850 5.827 1.00 1.00 C ATOM 969 C6 DT B 7 10.290 11.339 4.293 1.00 1.00 C ATOM 0 H5' DT B 7 6.852 7.811 5.143 1.00 1.00 H new ATOM 0 H5'' DT B 7 7.056 6.669 3.830 1.00 1.00 H new ATOM 0 H4' DT B 7 6.257 8.746 2.989 1.00 1.00 H new ATOM 0 H3' DT B 7 8.526 7.509 1.816 1.00 1.00 H new ATOM 0 H2' DT B 7 10.057 9.243 2.590 1.00 1.00 H new ATOM 0 H2'' DT B 7 9.508 9.930 1.074 1.00 1.00 H new ATOM 0 H1' DT B 7 7.746 11.219 2.156 1.00 1.00 H new ATOM 0 H3 DT B 7 9.747 14.937 3.397 1.00 1.00 H new ATOM 0 H71 DT B 7 11.865 10.948 6.351 1.00 1.00 H new ATOM 0 H72 DT B 7 13.099 11.648 5.277 1.00 1.00 H new ATOM 0 H73 DT B 7 12.357 12.646 6.550 1.00 1.00 H new ATOM 0 H6 DT B 7 10.430 10.299 4.546 1.00 1.00 H new ATOM 982 P DA B 8 7.485 8.040 -0.604 1.00 1.00 P ATOM 983 OP1 DA B 8 6.189 8.077 -1.329 1.00 1.00 O ATOM 984 OP2 DA B 8 8.125 6.712 -0.402 1.00 1.00 O ATOM 985 O5' DA B 8 8.522 9.032 -1.339 1.00 1.00 O ATOM 986 C5' DA B 8 8.046 10.173 -2.039 1.00 1.00 C ATOM 987 C4' DA B 8 9.145 11.138 -2.505 1.00 1.00 C ATOM 988 O4' DA B 8 9.564 11.962 -1.430 1.00 1.00 O ATOM 989 C3' DA B 8 10.400 10.476 -3.112 1.00 1.00 C ATOM 990 O3' DA B 8 10.440 10.687 -4.523 1.00 1.00 O ATOM 991 C2' DA B 8 11.540 11.157 -2.348 1.00 1.00 C ATOM 992 C1' DA B 8 10.882 12.373 -1.713 1.00 1.00 C ATOM 993 N9 DA B 8 11.517 12.809 -0.450 1.00 1.00 N ATOM 994 C8 DA B 8 11.797 12.087 0.687 1.00 1.00 C ATOM 995 N7 DA B 8 12.327 12.789 1.659 1.00 1.00 N ATOM 996 C5 DA B 8 12.403 14.078 1.104 1.00 1.00 C ATOM 997 C6 DA B 8 12.831 15.356 1.553 1.00 1.00 C ATOM 998 N6 DA B 8 13.261 15.658 2.765 1.00 1.00 N ATOM 999 N1 DA B 8 12.764 16.423 0.759 1.00 1.00 N ATOM 1000 C2 DA B 8 12.273 16.265 -0.455 1.00 1.00 C ATOM 1001 N3 DA B 8 11.824 15.156 -1.016 1.00 1.00 N ATOM 1002 C4 DA B 8 11.919 14.089 -0.178 1.00 1.00 C ATOM 0 H5' DA B 8 7.353 10.715 -1.396 1.00 1.00 H new ATOM 0 H5'' DA B 8 7.480 9.840 -2.909 1.00 1.00 H new ATOM 0 H4' DA B 8 8.675 11.709 -3.306 1.00 1.00 H new ATOM 0 H3' DA B 8 10.444 9.392 -3.009 1.00 1.00 H new ATOM 0 H2' DA B 8 11.967 10.495 -1.595 1.00 1.00 H new ATOM 0 H2'' DA B 8 12.352 11.445 -3.016 1.00 1.00 H new ATOM 0 H1' DA B 8 10.960 13.222 -2.392 1.00 1.00 H new ATOM 0 H8 DA B 8 11.597 11.029 0.772 1.00 1.00 H new ATOM 0 H61 DA B 8 13.546 16.613 2.982 1.00 1.00 H new ATOM 0 H62 DA B 8 13.308 14.936 3.484 1.00 1.00 H new ATOM 0 H2 DA B 8 12.233 17.154 -1.067 1.00 1.00 H new ATOM 1014 P DT B 9 11.674 10.164 -5.455 1.00 1.00 P ATOM 1015 OP1 DT B 9 11.090 9.637 -6.716 1.00 1.00 O ATOM 1016 OP2 DT B 9 12.604 9.300 -4.676 1.00 1.00 O ATOM 1017 O5' DT B 9 12.400 11.567 -5.776 1.00 1.00 O ATOM 1018 C5' DT B 9 11.690 12.594 -6.455 1.00 1.00 C ATOM 1019 C4' DT B 9 12.495 13.885 -6.662 1.00 1.00 C ATOM 1020 O4' DT B 9 12.690 14.535 -5.416 1.00 1.00 O ATOM 1021 C3' DT B 9 13.851 13.632 -7.333 1.00 1.00 C ATOM 1022 O3' DT B 9 14.002 14.509 -8.448 1.00 1.00 O ATOM 1023 C2' DT B 9 14.821 13.867 -6.179 1.00 1.00 C ATOM 1024 C1' DT B 9 14.063 14.821 -5.253 1.00 1.00 C ATOM 1025 N1 DT B 9 14.424 14.667 -3.820 1.00 1.00 N ATOM 1026 C2 DT B 9 14.746 15.822 -3.088 1.00 1.00 C ATOM 1027 O2 DT B 9 14.709 16.966 -3.545 1.00 1.00 O ATOM 1028 N3 DT B 9 15.129 15.635 -1.778 1.00 1.00 N ATOM 1029 C4 DT B 9 15.203 14.423 -1.133 1.00 1.00 C ATOM 1030 O4 DT B 9 15.514 14.405 0.057 1.00 1.00 O ATOM 1031 C5 DT B 9 14.859 13.260 -1.950 1.00 1.00 C ATOM 1032 C7 DT B 9 14.947 11.866 -1.358 1.00 1.00 C ATOM 1033 C6 DT B 9 14.466 13.417 -3.240 1.00 1.00 C ATOM 0 H5' DT B 9 10.787 12.829 -5.892 1.00 1.00 H new ATOM 0 H5'' DT B 9 11.371 12.218 -7.427 1.00 1.00 H new ATOM 0 H4' DT B 9 11.917 14.522 -7.331 1.00 1.00 H new ATOM 0 H3' DT B 9 14.002 12.644 -7.769 1.00 1.00 H new ATOM 0 H2' DT B 9 15.074 12.935 -5.673 1.00 1.00 H new ATOM 0 H2'' DT B 9 15.757 14.306 -6.526 1.00 1.00 H new ATOM 0 H1' DT B 9 14.321 15.845 -5.522 1.00 1.00 H new ATOM 0 H3 DT B 9 15.379 16.466 -1.241 1.00 1.00 H new ATOM 0 H71 DT B 9 15.728 11.842 -0.598 1.00 1.00 H new ATOM 0 H72 DT B 9 13.991 11.602 -0.905 1.00 1.00 H new ATOM 0 H73 DT B 9 15.185 11.151 -2.145 1.00 1.00 H new ATOM 0 H6 DT B 9 14.182 12.551 -3.820 1.00 1.00 H new ATOM 1046 P DG B 10 15.365 14.620 -9.317 1.00 1.00 P ATOM 1047 OP1 DG B 10 14.986 14.991 -10.708 1.00 1.00 O ATOM 1048 OP2 DG B 10 16.189 13.396 -9.115 1.00 1.00 O ATOM 1049 O5' DG B 10 16.112 15.879 -8.631 1.00 1.00 O ATOM 1050 C5' DG B 10 15.529 17.179 -8.678 1.00 1.00 C ATOM 1051 C4' DG B 10 16.401 18.286 -8.059 1.00 1.00 C ATOM 1052 O4' DG B 10 16.455 18.155 -6.637 1.00 1.00 O ATOM 1053 C3' DG B 10 17.841 18.287 -8.606 1.00 1.00 C ATOM 1054 O3' DG B 10 18.264 19.628 -8.864 1.00 1.00 O ATOM 1055 C2' DG B 10 18.584 17.589 -7.469 1.00 1.00 C ATOM 1056 C1' DG B 10 17.815 18.066 -6.238 1.00 1.00 C ATOM 1057 N9 DG B 10 17.950 17.145 -5.092 1.00 1.00 N ATOM 1058 C8 DG B 10 17.818 15.784 -5.108 1.00 1.00 C ATOM 1059 N7 DG B 10 17.926 15.207 -3.940 1.00 1.00 N ATOM 1060 C5 DG B 10 18.209 16.283 -3.084 1.00 1.00 C ATOM 1061 C6 DG B 10 18.474 16.325 -1.667 1.00 1.00 C ATOM 1062 O6 DG B 10 18.430 15.411 -0.841 1.00 1.00 O ATOM 1063 N1 DG B 10 18.827 17.575 -1.210 1.00 1.00 N ATOM 1064 C2 DG B 10 18.873 18.673 -1.996 1.00 1.00 C ATOM 1065 N2 DG B 10 19.250 19.780 -1.415 1.00 1.00 N ATOM 1066 N3 DG B 10 18.579 18.706 -3.297 1.00 1.00 N ATOM 1067 C4 DG B 10 18.263 17.470 -3.790 1.00 1.00 C ATOM 0 H5' DG B 10 14.571 17.154 -8.159 1.00 1.00 H new ATOM 0 H5'' DG B 10 15.322 17.434 -9.717 1.00 1.00 H new ATOM 0 H4' DG B 10 15.929 19.229 -8.336 1.00 1.00 H new ATOM 0 H3' DG B 10 17.999 17.788 -9.562 1.00 1.00 H new ATOM 0 H2' DG B 10 18.557 16.504 -7.571 1.00 1.00 H new ATOM 0 H2'' DG B 10 19.634 17.879 -7.431 1.00 1.00 H new ATOM 0 H1' DG B 10 18.212 19.022 -5.898 1.00 1.00 H new ATOM 0 H8 DG B 10 17.638 15.228 -6.016 1.00 1.00 H new ATOM 0 H1 DG B 10 19.067 17.678 -0.224 1.00 1.00 H new ATOM 0 H21 DG B 10 19.306 20.645 -1.953 1.00 1.00 H new ATOM 0 H22 DG B 10 19.489 19.780 -0.423 1.00 1.00 H new ATOM 1079 P DC B 11 19.709 20.000 -9.510 1.00 1.00 P ATOM 1080 OP1 DC B 11 19.500 21.113 -10.480 1.00 1.00 O ATOM 1081 OP2 DC B 11 20.377 18.761 -9.995 1.00 1.00 O ATOM 1082 O5' DC B 11 20.553 20.568 -8.244 1.00 1.00 O ATOM 1083 C5' DC B 11 20.157 21.773 -7.588 1.00 1.00 C ATOM 1084 C4' DC B 11 21.072 22.206 -6.427 1.00 1.00 C ATOM 1085 O4' DC B 11 20.951 21.308 -5.329 1.00 1.00 O ATOM 1086 C3' DC B 11 22.553 22.311 -6.834 1.00 1.00 C ATOM 1087 O3' DC B 11 23.123 23.515 -6.314 1.00 1.00 O ATOM 1088 C2' DC B 11 23.129 21.026 -6.236 1.00 1.00 C ATOM 1089 C1' DC B 11 22.228 20.776 -5.019 1.00 1.00 C ATOM 1090 N1 DC B 11 22.075 19.353 -4.621 1.00 1.00 N ATOM 1091 C2 DC B 11 22.212 18.983 -3.274 1.00 1.00 C ATOM 1092 O2 DC B 11 22.559 19.782 -2.402 1.00 1.00 O ATOM 1093 N3 DC B 11 21.975 17.709 -2.879 1.00 1.00 N ATOM 1094 C4 DC B 11 21.614 16.832 -3.793 1.00 1.00 C ATOM 1095 N4 DC B 11 21.337 15.639 -3.349 1.00 1.00 N ATOM 1096 C5 DC B 11 21.496 17.131 -5.175 1.00 1.00 C ATOM 1097 C6 DC B 11 21.734 18.413 -5.550 1.00 1.00 C ATOM 0 H5' DC B 11 19.144 21.646 -7.206 1.00 1.00 H new ATOM 0 H5'' DC B 11 20.122 22.576 -8.324 1.00 1.00 H new ATOM 0 H4' DC B 11 20.738 23.202 -6.136 1.00 1.00 H new ATOM 0 H3' DC B 11 22.749 22.380 -7.904 1.00 1.00 H new ATOM 0 H2' DC B 11 23.089 20.198 -6.944 1.00 1.00 H new ATOM 0 H2'' DC B 11 24.173 21.148 -5.947 1.00 1.00 H new ATOM 0 H1' DC B 11 22.706 21.258 -4.166 1.00 1.00 H new ATOM 0 H41 DC B 11 21.050 14.907 -3.999 1.00 1.00 H new ATOM 0 H42 DC B 11 21.407 15.437 -2.352 1.00 1.00 H new ATOM 0 H5 DC B 11 21.229 16.372 -5.896 1.00 1.00 H new ATOM 0 H6 DC B 11 21.653 18.691 -6.590 1.00 1.00 H new ATOM 1109 P DG B 12 24.594 24.050 -6.757 1.00 1.00 P ATOM 1110 OP1 DG B 12 24.675 25.499 -6.418 1.00 1.00 O ATOM 1111 OP2 DG B 12 24.857 23.641 -8.165 1.00 1.00 O ATOM 1112 O5' DG B 12 25.621 23.240 -5.800 1.00 1.00 O ATOM 1113 C5' DG B 12 25.697 23.513 -4.403 1.00 1.00 C ATOM 1114 C4' DG B 12 26.400 22.403 -3.610 1.00 1.00 C ATOM 1115 O4' DG B 12 25.594 21.237 -3.535 1.00 1.00 O ATOM 1116 C3' DG B 12 27.762 21.951 -4.165 1.00 1.00 C ATOM 1117 O3' DG B 12 28.865 22.641 -3.575 1.00 1.00 O ATOM 1118 C2' DG B 12 27.811 20.462 -3.808 1.00 1.00 C ATOM 1119 C1' DG B 12 26.445 20.170 -3.172 1.00 1.00 C ATOM 1120 N9 DG B 12 25.875 18.889 -3.625 1.00 1.00 N ATOM 1121 C8 DG B 12 25.567 18.514 -4.902 1.00 1.00 C ATOM 1122 N7 DG B 12 25.108 17.295 -5.013 1.00 1.00 N ATOM 1123 C5 DG B 12 25.130 16.818 -3.692 1.00 1.00 C ATOM 1124 C6 DG B 12 24.770 15.544 -3.116 1.00 1.00 C ATOM 1125 O6 DG B 12 24.323 14.528 -3.650 1.00 1.00 O ATOM 1126 N1 DG B 12 24.970 15.483 -1.754 1.00 1.00 N ATOM 1127 C2 DG B 12 25.475 16.494 -1.014 1.00 1.00 C ATOM 1128 N2 DG B 12 25.663 16.260 0.256 1.00 1.00 N ATOM 1129 N3 DG B 12 25.817 17.688 -1.489 1.00 1.00 N ATOM 1130 C4 DG B 12 25.613 17.791 -2.839 1.00 1.00 C ATOM 0 H5' DG B 12 24.689 23.650 -4.010 1.00 1.00 H new ATOM 0 H5'' DG B 12 26.228 24.452 -4.251 1.00 1.00 H new ATOM 0 H4' DG B 12 26.566 22.865 -2.637 1.00 1.00 H new ATOM 0 H3' DG B 12 27.848 22.158 -5.232 1.00 1.00 H new ATOM 0 H2' DG B 12 27.975 19.848 -4.693 1.00 1.00 H new ATOM 0 H2'' DG B 12 28.625 20.247 -3.115 1.00 1.00 H new ATOM 0 HO3' DG B 12 29.702 22.312 -3.964 1.00 1.00 H new ATOM 0 H1' DG B 12 26.555 20.086 -2.091 1.00 1.00 H new ATOM 0 H8 DG B 12 25.692 19.171 -5.750 1.00 1.00 H new ATOM 0 H1 DG B 12 24.721 14.619 -1.273 1.00 1.00 H new ATOM 0 H21 DG B 12 26.042 16.990 0.858 1.00 1.00 H new ATOM 0 H22 DG B 12 25.431 15.347 0.646 1.00 1.00 H new TER 1143 DG B 12 ATOM 1144 O5' DC C 13 23.536 8.050 3.621 1.00 1.00 O ATOM 1145 C5' DC C 13 24.886 8.225 4.068 1.00 1.00 C ATOM 1146 C4' DC C 13 25.315 9.697 4.215 1.00 1.00 C ATOM 1147 O4' DC C 13 25.343 10.348 2.945 1.00 1.00 O ATOM 1148 C3' DC C 13 24.375 10.479 5.142 1.00 1.00 C ATOM 1149 O3' DC C 13 25.123 11.283 6.055 1.00 1.00 O ATOM 1150 C2' DC C 13 23.550 11.294 4.147 1.00 1.00 C ATOM 1151 C1' DC C 13 24.561 11.529 3.023 1.00 1.00 C ATOM 1152 N1 DC C 13 23.990 11.848 1.689 1.00 1.00 N ATOM 1153 C2 DC C 13 24.508 12.912 0.937 1.00 1.00 C ATOM 1154 O2 DC C 13 25.348 13.694 1.387 1.00 1.00 O ATOM 1155 N3 DC C 13 24.104 13.121 -0.342 1.00 1.00 N ATOM 1156 C4 DC C 13 23.175 12.330 -0.840 1.00 1.00 C ATOM 1157 N4 DC C 13 22.861 12.544 -2.088 1.00 1.00 N ATOM 1158 C5 DC C 13 22.589 11.253 -0.115 1.00 1.00 C ATOM 1159 C6 DC C 13 23.029 11.045 1.147 1.00 1.00 C ATOM 0 H5' DC C 13 25.557 7.731 3.365 1.00 1.00 H new ATOM 0 H5'' DC C 13 25.007 7.725 5.029 1.00 1.00 H new ATOM 0 H4' DC C 13 26.314 9.686 4.652 1.00 1.00 H new ATOM 0 H3' DC C 13 23.749 9.863 5.788 1.00 1.00 H new ATOM 0 H2' DC C 13 22.672 10.749 3.800 1.00 1.00 H new ATOM 0 H2'' DC C 13 23.194 12.229 4.580 1.00 1.00 H new ATOM 0 HO5' DC C 13 23.336 7.093 3.550 1.00 1.00 H new ATOM 0 H1' DC C 13 25.133 12.422 3.276 1.00 1.00 H new ATOM 0 H41 DC C 13 22.150 11.970 -2.541 1.00 1.00 H new ATOM 0 H42 DC C 13 23.327 13.285 -2.611 1.00 1.00 H new ATOM 0 H5 DC C 13 21.825 10.629 -0.555 1.00 1.00 H new ATOM 0 H6 DC C 13 22.616 10.236 1.731 1.00 1.00 H new ATOM 1172 P DG C 14 24.428 12.116 7.267 1.00 1.00 P ATOM 1173 OP1 DG C 14 25.341 12.035 8.443 1.00 1.00 O ATOM 1174 OP2 DG C 14 23.023 11.646 7.433 1.00 1.00 O ATOM 1175 O5' DG C 14 24.382 13.656 6.743 1.00 1.00 O ATOM 1176 C5' DG C 14 25.562 14.461 6.701 1.00 1.00 C ATOM 1177 C4' DG C 14 25.323 15.958 6.412 1.00 1.00 C ATOM 1178 O4' DG C 14 25.071 16.179 5.024 1.00 1.00 O ATOM 1179 C3' DG C 14 24.157 16.560 7.222 1.00 1.00 C ATOM 1180 O3' DG C 14 24.525 17.854 7.704 1.00 1.00 O ATOM 1181 C2' DG C 14 23.039 16.556 6.179 1.00 1.00 C ATOM 1182 C1' DG C 14 23.790 16.771 4.869 1.00 1.00 C ATOM 1183 N9 DG C 14 23.122 16.152 3.708 1.00 1.00 N ATOM 1184 C8 DG C 14 22.552 14.911 3.644 1.00 1.00 C ATOM 1185 N7 DG C 14 22.099 14.580 2.465 1.00 1.00 N ATOM 1186 C5 DG C 14 22.356 15.723 1.692 1.00 1.00 C ATOM 1187 C6 DG C 14 22.077 16.025 0.310 1.00 1.00 C ATOM 1188 O6 DG C 14 21.584 15.312 -0.560 1.00 1.00 O ATOM 1189 N1 DG C 14 22.423 17.307 -0.053 1.00 1.00 N ATOM 1190 C2 DG C 14 23.016 18.192 0.780 1.00 1.00 C ATOM 1191 N2 DG C 14 23.300 19.364 0.277 1.00 1.00 N ATOM 1192 N3 DG C 14 23.331 17.955 2.050 1.00 1.00 N ATOM 1193 C4 DG C 14 22.966 16.699 2.455 1.00 1.00 C ATOM 0 H5' DG C 14 26.229 14.061 5.937 1.00 1.00 H new ATOM 0 H5'' DG C 14 26.080 14.369 7.656 1.00 1.00 H new ATOM 0 H4' DG C 14 26.241 16.460 6.718 1.00 1.00 H new ATOM 0 H3' DG C 14 23.863 16.027 8.126 1.00 1.00 H new ATOM 0 H2' DG C 14 22.490 15.614 6.180 1.00 1.00 H new ATOM 0 H2'' DG C 14 22.313 17.348 6.363 1.00 1.00 H new ATOM 0 H1' DG C 14 23.837 17.842 4.670 1.00 1.00 H new ATOM 0 H8 DG C 14 22.482 14.257 4.500 1.00 1.00 H new ATOM 0 H1 DG C 14 22.220 17.607 -1.007 1.00 1.00 H new ATOM 0 H21 DG C 14 23.748 20.073 0.857 1.00 1.00 H new ATOM 0 H22 DG C 14 23.074 19.570 -0.696 1.00 1.00 H new ATOM 1205 P DC C 15 23.541 18.775 8.617 1.00 1.00 P ATOM 1206 OP1 DC C 15 24.390 19.754 9.352 1.00 1.00 O ATOM 1207 OP2 DC C 15 22.643 17.889 9.411 1.00 1.00 O ATOM 1208 O5' DC C 15 22.641 19.578 7.533 1.00 1.00 O ATOM 1209 C5' DC C 15 23.239 20.508 6.633 1.00 1.00 C ATOM 1210 C4' DC C 15 22.349 20.856 5.427 1.00 1.00 C ATOM 1211 O4' DC C 15 22.107 19.715 4.618 1.00 1.00 O ATOM 1212 C3' DC C 15 20.981 21.463 5.784 1.00 1.00 C ATOM 1213 O3' DC C 15 21.058 22.889 5.737 1.00 1.00 O ATOM 1214 C2' DC C 15 20.049 20.840 4.733 1.00 1.00 C ATOM 1215 C1' DC C 15 20.954 19.992 3.849 1.00 1.00 C ATOM 1216 N1 DC C 15 20.296 18.739 3.411 1.00 1.00 N ATOM 1217 C2 DC C 15 19.890 18.593 2.079 1.00 1.00 C ATOM 1218 O2 DC C 15 19.991 19.501 1.254 1.00 1.00 O ATOM 1219 N3 DC C 15 19.377 17.423 1.640 1.00 1.00 N ATOM 1220 C4 DC C 15 19.233 16.441 2.505 1.00 1.00 C ATOM 1221 N4 DC C 15 18.753 15.335 2.014 1.00 1.00 N ATOM 1222 C5 DC C 15 19.574 16.545 3.885 1.00 1.00 C ATOM 1223 C6 DC C 15 20.104 17.721 4.305 1.00 1.00 C ATOM 0 H5' DC C 15 24.182 20.097 6.272 1.00 1.00 H new ATOM 0 H5'' DC C 15 23.477 21.423 7.175 1.00 1.00 H new ATOM 0 H4' DC C 15 22.923 21.614 4.895 1.00 1.00 H new ATOM 0 H3' DC C 15 20.624 21.253 6.792 1.00 1.00 H new ATOM 0 H2' DC C 15 19.276 20.232 5.203 1.00 1.00 H new ATOM 0 H2'' DC C 15 19.540 21.609 4.152 1.00 1.00 H new ATOM 0 H1' DC C 15 21.200 20.528 2.932 1.00 1.00 H new ATOM 0 H41 DC C 15 18.612 14.527 2.620 1.00 1.00 H new ATOM 0 H42 DC C 15 18.518 15.277 1.023 1.00 1.00 H new ATOM 0 H5 DC C 15 19.417 15.723 4.567 1.00 1.00 H new ATOM 0 H6 DC C 15 20.374 17.853 5.342 1.00 1.00 H new ATOM 1235 P DA C 16 19.787 23.863 6.027 1.00 1.00 P ATOM 1236 OP1 DA C 16 20.319 25.223 6.327 1.00 1.00 O ATOM 1237 OP2 DA C 16 18.898 23.216 7.033 1.00 1.00 O ATOM 1238 O5' DA C 16 18.996 23.931 4.611 1.00 1.00 O ATOM 1239 C5' DA C 16 19.651 24.378 3.425 1.00 1.00 C ATOM 1240 C4' DA C 16 18.785 24.289 2.154 1.00 1.00 C ATOM 1241 O4' DA C 16 18.612 22.938 1.715 1.00 1.00 O ATOM 1242 C3' DA C 16 17.393 24.923 2.339 1.00 1.00 C ATOM 1243 O3' DA C 16 17.096 25.797 1.251 1.00 1.00 O ATOM 1244 C2' DA C 16 16.516 23.674 2.421 1.00 1.00 C ATOM 1245 C1' DA C 16 17.231 22.713 1.479 1.00 1.00 C ATOM 1246 N9 DA C 16 16.907 21.310 1.782 1.00 1.00 N ATOM 1247 C8 DA C 16 17.006 20.709 3.003 1.00 1.00 C ATOM 1248 N7 DA C 16 16.782 19.421 2.999 1.00 1.00 N ATOM 1249 C5 DA C 16 16.441 19.183 1.657 1.00 1.00 C ATOM 1250 C6 DA C 16 16.043 18.042 0.920 1.00 1.00 C ATOM 1251 N6 DA C 16 15.972 16.827 1.424 1.00 1.00 N ATOM 1252 N1 DA C 16 15.670 18.124 -0.360 1.00 1.00 N ATOM 1253 C2 DA C 16 15.704 19.320 -0.932 1.00 1.00 C ATOM 1254 N3 DA C 16 16.098 20.471 -0.392 1.00 1.00 N ATOM 1255 C4 DA C 16 16.463 20.335 0.916 1.00 1.00 C ATOM 0 H5' DA C 16 20.555 23.787 3.278 1.00 1.00 H new ATOM 0 H5'' DA C 16 19.966 25.412 3.565 1.00 1.00 H new ATOM 0 H4' DA C 16 19.333 24.851 1.398 1.00 1.00 H new ATOM 0 H3' DA C 16 17.266 25.569 3.208 1.00 1.00 H new ATOM 0 H2' DA C 16 16.460 23.282 3.437 1.00 1.00 H new ATOM 0 H2'' DA C 16 15.494 23.873 2.100 1.00 1.00 H new ATOM 0 H1' DA C 16 16.934 22.885 0.444 1.00 1.00 H new ATOM 0 H8 DA C 16 17.250 21.255 3.902 1.00 1.00 H new ATOM 0 H61 DA C 16 15.677 16.047 0.836 1.00 1.00 H new ATOM 0 H62 DA C 16 16.212 16.666 2.402 1.00 1.00 H new ATOM 0 H2 DA C 16 15.372 19.366 -1.959 1.00 1.00 H new ATOM 1267 P DT C 17 15.753 26.712 1.200 1.00 1.00 P ATOM 1268 OP1 DT C 17 16.027 27.874 0.307 1.00 1.00 O ATOM 1269 OP2 DT C 17 15.299 26.988 2.593 1.00 1.00 O ATOM 1270 O5' DT C 17 14.658 25.756 0.480 1.00 1.00 O ATOM 1271 C5' DT C 17 14.816 25.373 -0.885 1.00 1.00 C ATOM 1272 C4' DT C 17 13.776 24.345 -1.363 1.00 1.00 C ATOM 1273 O4' DT C 17 13.995 23.080 -0.750 1.00 1.00 O ATOM 1274 C3' DT C 17 12.317 24.770 -1.104 1.00 1.00 C ATOM 1275 O3' DT C 17 11.603 24.780 -2.338 1.00 1.00 O ATOM 1276 C2' DT C 17 11.846 23.708 -0.106 1.00 1.00 C ATOM 1277 C1' DT C 17 12.731 22.513 -0.467 1.00 1.00 C ATOM 1278 N1 DT C 17 12.863 21.489 0.605 1.00 1.00 N ATOM 1279 C2 DT C 17 12.700 20.137 0.263 1.00 1.00 C ATOM 1280 O2 DT C 17 12.406 19.723 -0.862 1.00 1.00 O ATOM 1281 N3 DT C 17 12.895 19.227 1.273 1.00 1.00 N ATOM 1282 C4 DT C 17 13.221 19.508 2.577 1.00 1.00 C ATOM 1283 O4 DT C 17 13.393 18.566 3.351 1.00 1.00 O ATOM 1284 C5 DT C 17 13.341 20.932 2.876 1.00 1.00 C ATOM 1285 C7 DT C 17 13.662 21.395 4.284 1.00 1.00 C ATOM 1286 C6 DT C 17 13.179 21.859 1.898 1.00 1.00 C ATOM 0 H5' DT C 17 15.814 24.958 -1.024 1.00 1.00 H new ATOM 0 H5'' DT C 17 14.750 26.262 -1.513 1.00 1.00 H new ATOM 0 H4' DT C 17 13.914 24.280 -2.442 1.00 1.00 H new ATOM 0 H3' DT C 17 12.173 25.774 -0.705 1.00 1.00 H new ATOM 0 H2' DT C 17 11.992 24.026 0.926 1.00 1.00 H new ATOM 0 H2'' DT C 17 10.786 23.480 -0.223 1.00 1.00 H new ATOM 0 H1' DT C 17 12.286 21.969 -1.300 1.00 1.00 H new ATOM 0 H3 DT C 17 12.787 18.242 1.030 1.00 1.00 H new ATOM 0 H71 DT C 17 14.215 22.333 4.241 1.00 1.00 H new ATOM 0 H72 DT C 17 12.735 21.545 4.838 1.00 1.00 H new ATOM 0 H73 DT C 17 14.266 20.640 4.786 1.00 1.00 H new ATOM 0 H6 DT C 17 13.299 22.906 2.135 1.00 1.00 H new ATOM 1299 P DA C 18 10.065 25.279 -2.459 1.00 1.00 P ATOM 1300 OP1 DA C 18 9.807 25.620 -3.886 1.00 1.00 O ATOM 1301 OP2 DA C 18 9.806 26.324 -1.425 1.00 1.00 O ATOM 1302 O5' DA C 18 9.220 23.950 -2.080 1.00 1.00 O ATOM 1303 C5' DA C 18 9.316 22.780 -2.883 1.00 1.00 C ATOM 1304 C4' DA C 18 8.447 21.615 -2.388 1.00 1.00 C ATOM 1305 O4' DA C 18 9.090 20.876 -1.362 1.00 1.00 O ATOM 1306 C3' DA C 18 7.050 22.009 -1.881 1.00 1.00 C ATOM 1307 O3' DA C 18 6.141 21.412 -2.796 1.00 1.00 O ATOM 1308 C2' DA C 18 7.056 21.483 -0.442 1.00 1.00 C ATOM 1309 C1' DA C 18 8.097 20.371 -0.491 1.00 1.00 C ATOM 1310 N9 DA C 18 8.757 20.017 0.783 1.00 1.00 N ATOM 1311 C8 DA C 18 9.141 20.835 1.812 1.00 1.00 C ATOM 1312 N7 DA C 18 9.718 20.217 2.814 1.00 1.00 N ATOM 1313 C5 DA C 18 9.694 18.874 2.408 1.00 1.00 C ATOM 1314 C6 DA C 18 10.086 17.634 2.978 1.00 1.00 C ATOM 1315 N6 DA C 18 10.612 17.444 4.174 1.00 1.00 N ATOM 1316 N1 DA C 18 9.942 16.492 2.309 1.00 1.00 N ATOM 1317 C2 DA C 18 9.446 16.547 1.088 1.00 1.00 C ATOM 1318 N3 DA C 18 9.004 17.608 0.433 1.00 1.00 N ATOM 1319 C4 DA C 18 9.145 18.754 1.158 1.00 1.00 C ATOM 0 H5' DA C 18 10.357 22.457 -2.915 1.00 1.00 H new ATOM 0 H5'' DA C 18 9.028 23.027 -3.905 1.00 1.00 H new ATOM 0 H4' DA C 18 8.311 21.009 -3.284 1.00 1.00 H new ATOM 0 H3' DA C 18 6.768 23.061 -1.846 1.00 1.00 H new ATOM 0 H2' DA C 18 7.329 22.261 0.271 1.00 1.00 H new ATOM 0 H2'' DA C 18 6.077 21.107 -0.145 1.00 1.00 H new ATOM 0 H1' DA C 18 7.592 19.453 -0.793 1.00 1.00 H new ATOM 0 H8 DA C 18 8.981 21.903 1.799 1.00 1.00 H new ATOM 0 H61 DA C 18 10.856 16.502 4.480 1.00 1.00 H new ATOM 0 H62 DA C 18 10.774 18.239 4.792 1.00 1.00 H new ATOM 0 H2 DA C 18 9.394 15.608 0.556 1.00 1.00 H new ATOM 1331 P DT C 19 4.555 21.501 -2.664 1.00 1.00 P ATOM 1332 OP1 DT C 19 3.994 21.183 -3.997 1.00 1.00 O ATOM 1333 OP2 DT C 19 4.158 22.746 -1.977 1.00 1.00 O ATOM 1334 O5' DT C 19 4.290 20.247 -1.761 1.00 1.00 O ATOM 1335 C5' DT C 19 4.571 18.935 -2.219 1.00 1.00 C ATOM 1336 C4' DT C 19 4.043 17.933 -1.199 1.00 1.00 C ATOM 1337 O4' DT C 19 5.040 17.791 -0.200 1.00 1.00 O ATOM 1338 C3' DT C 19 2.753 18.419 -0.499 1.00 1.00 C ATOM 1339 O3' DT C 19 1.801 17.401 -0.339 1.00 1.00 O ATOM 1340 C2' DT C 19 3.257 18.831 0.867 1.00 1.00 C ATOM 1341 C1' DT C 19 4.373 17.798 1.036 1.00 1.00 C ATOM 1342 N1 DT C 19 5.345 18.056 2.122 1.00 1.00 N ATOM 1343 C2 DT C 19 5.801 16.960 2.860 1.00 1.00 C ATOM 1344 O2 DT C 19 5.493 15.794 2.624 1.00 1.00 O ATOM 1345 N3 DT C 19 6.617 17.240 3.928 1.00 1.00 N ATOM 1346 C4 DT C 19 6.942 18.489 4.390 1.00 1.00 C ATOM 1347 O4 DT C 19 7.633 18.568 5.403 1.00 1.00 O ATOM 1348 C5 DT C 19 6.412 19.595 3.589 1.00 1.00 C ATOM 1349 C7 DT C 19 6.654 21.039 3.999 1.00 1.00 C ATOM 1350 C6 DT C 19 5.686 19.342 2.469 1.00 1.00 C ATOM 0 H5' DT C 19 5.645 18.805 -2.355 1.00 1.00 H new ATOM 0 H5'' DT C 19 4.104 18.766 -3.190 1.00 1.00 H new ATOM 0 H4' DT C 19 3.814 17.003 -1.719 1.00 1.00 H new ATOM 0 H3' DT C 19 2.255 19.201 -1.073 1.00 1.00 H new ATOM 0 H2' DT C 19 3.627 19.856 0.887 1.00 1.00 H new ATOM 0 H2'' DT C 19 2.491 18.753 1.639 1.00 1.00 H new ATOM 0 H1' DT C 19 3.921 16.849 1.325 1.00 1.00 H new ATOM 0 H3 DT C 19 7.019 16.444 4.424 1.00 1.00 H new ATOM 0 H71 DT C 19 6.685 21.669 3.110 1.00 1.00 H new ATOM 0 H72 DT C 19 5.847 21.372 4.652 1.00 1.00 H new ATOM 0 H73 DT C 19 7.604 21.112 4.529 1.00 1.00 H new ATOM 0 H6 DT C 19 5.372 20.163 1.842 1.00 1.00 H new ATOM 1363 P DA C 20 0.764 17.054 -1.517 1.00 1.00 P ATOM 1364 OP1 DA C 20 1.513 17.035 -2.799 1.00 1.00 O ATOM 1365 OP2 DA C 20 -0.407 17.965 -1.397 1.00 1.00 O ATOM 1366 O5' DA C 20 0.393 15.566 -1.040 1.00 1.00 O ATOM 1367 C5' DA C 20 -0.313 15.381 0.178 1.00 1.00 C ATOM 1368 C4' DA C 20 0.042 14.058 0.854 1.00 1.00 C ATOM 1369 O4' DA C 20 1.313 14.184 1.493 1.00 1.00 O ATOM 1370 C3' DA C 20 -1.005 13.807 1.940 1.00 1.00 C ATOM 1371 O3' DA C 20 -1.346 12.433 2.006 1.00 1.00 O ATOM 1372 C2' DA C 20 -0.288 14.361 3.164 1.00 1.00 C ATOM 1373 C1' DA C 20 1.182 14.082 2.899 1.00 1.00 C ATOM 1374 N9 DA C 20 2.019 15.102 3.581 1.00 1.00 N ATOM 1375 C8 DA C 20 2.120 16.431 3.255 1.00 1.00 C ATOM 1376 N7 DA C 20 2.833 17.151 4.079 1.00 1.00 N ATOM 1377 C5 DA C 20 3.249 16.202 5.020 1.00 1.00 C ATOM 1378 C6 DA C 20 4.060 16.259 6.179 1.00 1.00 C ATOM 1379 N6 DA C 20 4.648 17.359 6.607 1.00 1.00 N ATOM 1380 N1 DA C 20 4.297 15.176 6.924 1.00 1.00 N ATOM 1381 C2 DA C 20 3.748 14.039 6.520 1.00 1.00 C ATOM 1382 N3 DA C 20 2.967 13.821 5.467 1.00 1.00 N ATOM 1383 C4 DA C 20 2.758 14.955 4.738 1.00 1.00 C ATOM 0 H5' DA C 20 -1.385 15.412 -0.017 1.00 1.00 H new ATOM 0 H5'' DA C 20 -0.088 16.205 0.855 1.00 1.00 H new ATOM 0 H4' DA C 20 0.070 13.250 0.123 1.00 1.00 H new ATOM 0 H3' DA C 20 -1.977 14.276 1.791 1.00 1.00 H new ATOM 0 H2' DA C 20 -0.474 15.428 3.285 1.00 1.00 H new ATOM 0 H2'' DA C 20 -0.627 13.873 4.078 1.00 1.00 H new ATOM 0 H1' DA C 20 1.503 13.109 3.270 1.00 1.00 H new ATOM 0 H8 DA C 20 1.645 16.851 2.381 1.00 1.00 H new ATOM 0 H61 DA C 20 5.221 17.336 7.451 1.00 1.00 H new ATOM 0 H62 DA C 20 4.530 18.233 6.094 1.00 1.00 H new ATOM 0 H2 DA C 20 3.965 13.173 7.128 1.00 1.00 H new ATOM 1395 P DT C 21 -2.650 11.936 2.807 1.00 1.00 P ATOM 1396 OP1 DT C 21 -3.051 10.606 2.285 1.00 1.00 O ATOM 1397 OP2 DT C 21 -3.673 13.015 2.759 1.00 1.00 O ATOM 1398 O5' DT C 21 -2.120 11.781 4.310 1.00 1.00 O ATOM 1399 C5' DT C 21 -1.145 10.798 4.616 1.00 1.00 C ATOM 1400 C4' DT C 21 -0.961 10.592 6.123 1.00 1.00 C ATOM 1401 O4' DT C 21 -0.098 11.588 6.640 1.00 1.00 O ATOM 1402 C3' DT C 21 -2.265 10.646 6.917 1.00 1.00 C ATOM 1403 O3' DT C 21 -2.200 9.630 7.901 1.00 1.00 O ATOM 1404 C2' DT C 21 -2.261 12.057 7.489 1.00 1.00 C ATOM 1405 C1' DT C 21 -0.764 12.309 7.660 1.00 1.00 C ATOM 1406 N1 DT C 21 -0.291 13.718 7.578 1.00 1.00 N ATOM 1407 C2 DT C 21 0.786 14.071 8.408 1.00 1.00 C ATOM 1408 O2 DT C 21 1.347 13.286 9.177 1.00 1.00 O ATOM 1409 N3 DT C 21 1.250 15.362 8.321 1.00 1.00 N ATOM 1410 C4 DT C 21 0.779 16.319 7.452 1.00 1.00 C ATOM 1411 O4 DT C 21 1.331 17.415 7.429 1.00 1.00 O ATOM 1412 C5 DT C 21 -0.332 15.893 6.601 1.00 1.00 C ATOM 1413 C7 DT C 21 -0.945 16.876 5.619 1.00 1.00 C ATOM 1414 C6 DT C 21 -0.818 14.626 6.672 1.00 1.00 C ATOM 0 H5' DT C 21 -0.192 11.089 4.175 1.00 1.00 H new ATOM 0 H5'' DT C 21 -1.433 9.852 4.157 1.00 1.00 H new ATOM 0 H4' DT C 21 -0.544 9.591 6.236 1.00 1.00 H new ATOM 0 H3' DT C 21 -3.183 10.469 6.356 1.00 1.00 H new ATOM 0 H2' DT C 21 -2.724 12.776 6.813 1.00 1.00 H new ATOM 0 H2'' DT C 21 -2.798 12.118 8.435 1.00 1.00 H new ATOM 0 H1' DT C 21 -0.544 11.996 8.681 1.00 1.00 H new ATOM 0 H3 DT C 21 2.005 15.632 8.952 1.00 1.00 H new ATOM 0 H71 DT C 21 -0.852 17.888 6.012 1.00 1.00 H new ATOM 0 H72 DT C 21 -0.424 16.809 4.664 1.00 1.00 H new ATOM 0 H73 DT C 21 -1.999 16.638 5.475 1.00 1.00 H new ATOM 0 H6 DT C 21 -1.622 14.324 6.017 1.00 1.00 H new ATOM 1427 P DG C 22 -3.430 9.253 8.846 1.00 1.00 P ATOM 1428 OP1 DG C 22 -3.284 7.812 9.160 1.00 1.00 O ATOM 1429 OP2 DG C 22 -4.703 9.717 8.248 1.00 1.00 O ATOM 1430 O5' DG C 22 -3.104 10.106 10.155 1.00 1.00 O ATOM 1431 C5' DG C 22 -1.998 9.756 10.974 1.00 1.00 C ATOM 1432 C4' DG C 22 -1.698 10.795 12.057 1.00 1.00 C ATOM 1433 O4' DG C 22 -1.096 11.950 11.481 1.00 1.00 O ATOM 1434 C3' DG C 22 -2.940 11.237 12.853 1.00 1.00 C ATOM 1435 O3' DG C 22 -2.684 11.053 14.243 1.00 1.00 O ATOM 1436 C2' DG C 22 -3.077 12.693 12.420 1.00 1.00 C ATOM 1437 C1' DG C 22 -1.623 13.064 12.173 1.00 1.00 C ATOM 1438 N9 DG C 22 -1.461 14.304 11.397 1.00 1.00 N ATOM 1439 C8 DG C 22 -2.097 14.659 10.241 1.00 1.00 C ATOM 1440 N7 DG C 22 -1.752 15.830 9.774 1.00 1.00 N ATOM 1441 C5 DG C 22 -0.830 16.303 10.724 1.00 1.00 C ATOM 1442 C6 DG C 22 -0.088 17.538 10.816 1.00 1.00 C ATOM 1443 O6 DG C 22 -0.034 18.480 10.024 1.00 1.00 O ATOM 1444 N1 DG C 22 0.659 17.644 11.968 1.00 1.00 N ATOM 1445 C2 DG C 22 0.726 16.679 12.911 1.00 1.00 C ATOM 1446 N2 DG C 22 1.449 16.932 13.967 1.00 1.00 N ATOM 1447 N3 DG C 22 0.104 15.504 12.854 1.00 1.00 N ATOM 1448 C4 DG C 22 -0.671 15.377 11.734 1.00 1.00 C ATOM 0 H5' DG C 22 -1.116 9.629 10.347 1.00 1.00 H new ATOM 0 H5'' DG C 22 -2.194 8.794 11.447 1.00 1.00 H new ATOM 0 H4' DG C 22 -1.019 10.304 12.754 1.00 1.00 H new ATOM 0 H3' DG C 22 -3.862 10.683 12.674 1.00 1.00 H new ATOM 0 H2' DG C 22 -3.687 12.800 11.523 1.00 1.00 H new ATOM 0 H2'' DG C 22 -3.534 13.311 13.193 1.00 1.00 H new ATOM 0 H1' DG C 22 -1.105 13.272 13.109 1.00 1.00 H new ATOM 0 H8 DG C 22 -2.824 14.025 9.754 1.00 1.00 H new ATOM 0 H1 DG C 22 1.192 18.500 12.118 1.00 1.00 H new ATOM 0 H21 DG C 22 1.531 16.235 14.708 1.00 1.00 H new ATOM 0 H22 DG C 22 1.932 17.826 14.052 1.00 1.00 H new ATOM 1460 P DC C 23 -3.775 11.351 15.409 1.00 1.00 P ATOM 1461 OP1 DC C 23 -3.727 10.220 16.380 1.00 1.00 O ATOM 1462 OP2 DC C 23 -5.088 11.706 14.800 1.00 1.00 O ATOM 1463 O5' DC C 23 -3.170 12.675 16.125 1.00 1.00 O ATOM 1464 C5' DC C 23 -1.906 12.629 16.786 1.00 1.00 C ATOM 1465 C4' DC C 23 -1.504 13.933 17.496 1.00 1.00 C ATOM 1466 O4' DC C 23 -1.150 14.938 16.547 1.00 1.00 O ATOM 1467 C3' DC C 23 -2.618 14.475 18.411 1.00 1.00 C ATOM 1468 O3' DC C 23 -2.083 14.874 19.675 1.00 1.00 O ATOM 1469 C2' DC C 23 -3.178 15.625 17.568 1.00 1.00 C ATOM 1470 C1' DC C 23 -1.974 16.075 16.735 1.00 1.00 C ATOM 1471 N1 DC C 23 -2.337 16.651 15.416 1.00 1.00 N ATOM 1472 C2 DC C 23 -1.832 17.901 15.022 1.00 1.00 C ATOM 1473 O2 DC C 23 -1.115 18.584 15.754 1.00 1.00 O ATOM 1474 N3 DC C 23 -2.129 18.411 13.801 1.00 1.00 N ATOM 1475 C4 DC C 23 -2.912 17.708 13.005 1.00 1.00 C ATOM 1476 N4 DC C 23 -3.132 18.230 11.834 1.00 1.00 N ATOM 1477 C5 DC C 23 -3.458 16.440 13.346 1.00 1.00 C ATOM 1478 C6 DC C 23 -3.142 15.945 14.570 1.00 1.00 C ATOM 0 H5' DC C 23 -1.138 12.378 16.055 1.00 1.00 H new ATOM 0 H5'' DC C 23 -1.924 11.823 17.519 1.00 1.00 H new ATOM 0 H4' DC C 23 -0.643 13.689 18.118 1.00 1.00 H new ATOM 0 H3' DC C 23 -3.392 13.758 18.686 1.00 1.00 H new ATOM 0 H2' DC C 23 -4.003 15.295 16.936 1.00 1.00 H new ATOM 0 H2'' DC C 23 -3.558 16.433 18.193 1.00 1.00 H new ATOM 0 H1' DC C 23 -1.467 16.875 17.274 1.00 1.00 H new ATOM 0 H41 DC C 23 -3.728 17.745 11.163 1.00 1.00 H new ATOM 0 H42 DC C 23 -2.709 19.125 11.587 1.00 1.00 H new ATOM 0 H5 DC C 23 -4.094 15.896 12.663 1.00 1.00 H new ATOM 0 H6 DC C 23 -3.531 14.985 14.877 1.00 1.00 H new ATOM 1490 P DG C 24 -3.031 15.205 20.954 1.00 1.00 P ATOM 1491 OP1 DG C 24 -2.183 15.146 22.179 1.00 1.00 O ATOM 1492 OP2 DG C 24 -4.247 14.347 20.897 1.00 1.00 O ATOM 1493 O5' DG C 24 -3.484 16.742 20.718 1.00 1.00 O ATOM 1494 C5' DG C 24 -2.560 17.812 20.886 1.00 1.00 C ATOM 1495 C4' DG C 24 -3.018 19.126 20.237 1.00 1.00 C ATOM 1496 O4' DG C 24 -2.964 19.064 18.821 1.00 1.00 O ATOM 1497 C3' DG C 24 -4.445 19.575 20.585 1.00 1.00 C ATOM 1498 O3' DG C 24 -4.488 20.404 21.745 1.00 1.00 O ATOM 1499 C2' DG C 24 -4.884 20.348 19.340 1.00 1.00 C ATOM 1500 C1' DG C 24 -3.730 20.154 18.348 1.00 1.00 C ATOM 1501 N9 DG C 24 -4.203 19.915 16.974 1.00 1.00 N ATOM 1502 C8 DG C 24 -4.989 18.890 16.528 1.00 1.00 C ATOM 1503 N7 DG C 24 -5.341 18.984 15.269 1.00 1.00 N ATOM 1504 C5 DG C 24 -4.737 20.185 14.855 1.00 1.00 C ATOM 1505 C6 DG C 24 -4.747 20.893 13.596 1.00 1.00 C ATOM 1506 O6 DG C 24 -5.290 20.600 12.529 1.00 1.00 O ATOM 1507 N1 DG C 24 -4.051 22.084 13.625 1.00 1.00 N ATOM 1508 C2 DG C 24 -3.406 22.554 14.717 1.00 1.00 C ATOM 1509 N2 DG C 24 -2.791 23.697 14.601 1.00 1.00 N ATOM 1510 N3 DG C 24 -3.360 21.942 15.895 1.00 1.00 N ATOM 1511 C4 DG C 24 -4.045 20.759 15.902 1.00 1.00 C ATOM 0 H5' DG C 24 -1.599 17.522 20.461 1.00 1.00 H new ATOM 0 H5'' DG C 24 -2.400 17.979 21.951 1.00 1.00 H new ATOM 0 H4' DG C 24 -2.314 19.847 20.652 1.00 1.00 H new ATOM 0 H3' DG C 24 -5.094 18.733 20.826 1.00 1.00 H new ATOM 0 H2' DG C 24 -5.821 19.960 18.941 1.00 1.00 H new ATOM 0 H2'' DG C 24 -5.044 21.403 19.563 1.00 1.00 H new ATOM 0 HO3' DG C 24 -5.415 20.666 21.926 1.00 1.00 H new ATOM 0 H1' DG C 24 -3.131 21.063 18.294 1.00 1.00 H new ATOM 0 H8 DG C 24 -5.295 18.070 17.161 1.00 1.00 H new ATOM 0 H1 DG C 24 -4.021 22.643 12.772 1.00 1.00 H new ATOM 0 H21 DG C 24 -2.291 24.090 15.398 1.00 1.00 H new ATOM 0 H22 DG C 24 -2.809 24.198 13.713 1.00 1.00 H new TER 1524 DG C 24