USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 657 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 84 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Set 1.2: A 121 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 87 ASN : amide:sc= 1.66 K(o=1.7,f=-8.6!) USER MOD Set 2.2: A 89 HIS : no HD1:sc= 0 X(o=1.7,f=1.7) USER MOD Single : A 81 LYS NZ :NH3+ 168:sc= 1.24 (180deg=0.901) USER MOD Single : A 83 LYS NZ :NH3+ 155:sc= 1.55 (180deg=-0.113!) USER MOD Single : A 85 TYR OH : rot 4:sc= 0.0772 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot -170:sc= 0.0911 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.222 USER MOD Single : A 97 LYS NZ :NH3+ 165:sc= 1.23 (180deg=1.01) USER MOD Single : A 100 ASN : amide:sc= 0.0403 K(o=0.04,f=-1.4) USER MOD Single : A 101 HIS : no HE2:sc= 0.818 K(o=0.82,f=-2.5!) USER MOD Single : A 102 LYS NZ :NH3+ -175:sc= 1.28 (180deg=1.26) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -161:sc= 1.19 (180deg=0.558) USER MOD Single : A 108 LYS NZ :NH3+ -142:sc= 2.33 (180deg=-0.845) 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 X(o=0,f=-0.067) 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= -0.259 (180deg=-0.502) 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= -0.253 (180deg=-0.253) USER MOD Single : C 21 DT C7 :methyl -30:sc= -0.924 (180deg=-1.42) USER MOD Single : C 24 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 79 -0.848 7.068 9.511 1.00 1.00 N ATOM 2 CA ALA A 79 0.252 6.351 8.807 1.00 1.00 C ATOM 3 C ALA A 79 0.552 6.995 7.454 1.00 1.00 C ATOM 4 O ALA A 79 -0.306 7.658 6.887 1.00 1.00 O ATOM 5 CB ALA A 79 -0.130 4.870 8.633 1.00 1.00 C ATOM 0 HA ALA A 79 1.158 6.419 9.410 1.00 1.00 H new ATOM 0 HB1 ALA A 79 0.674 4.345 8.118 1.00 1.00 H new ATOM 0 HB2 ALA A 79 -0.290 4.418 9.612 1.00 1.00 H new ATOM 0 HB3 ALA A 79 -1.045 4.797 8.046 1.00 1.00 H new ATOM 11 N ARG A 80 1.756 6.786 6.914 1.00 1.00 N ATOM 12 CA ARG A 80 2.230 7.225 5.579 1.00 1.00 C ATOM 13 C ARG A 80 1.493 6.557 4.393 1.00 1.00 C ATOM 14 O ARG A 80 2.093 5.903 3.543 1.00 1.00 O ATOM 15 CB ARG A 80 3.764 7.068 5.519 1.00 1.00 C ATOM 16 CG ARG A 80 4.436 8.080 6.461 1.00 1.00 C ATOM 17 CD ARG A 80 4.305 9.524 5.964 1.00 1.00 C ATOM 18 NE ARG A 80 3.374 10.326 6.789 1.00 1.00 N ATOM 19 CZ ARG A 80 3.678 10.999 7.885 1.00 1.00 C ATOM 20 NH1 ARG A 80 4.856 10.982 8.424 1.00 1.00 N ATOM 21 NH2 ARG A 80 2.812 11.763 8.478 1.00 1.00 N ATOM 0 H ARG A 80 2.478 6.275 7.421 1.00 1.00 H new ATOM 0 HA ARG A 80 1.978 8.279 5.458 1.00 1.00 H new ATOM 0 HB2 ARG A 80 4.045 6.054 5.802 1.00 1.00 H new ATOM 0 HB3 ARG A 80 4.113 7.222 4.498 1.00 1.00 H new ATOM 0 HG2 ARG A 80 3.991 7.999 7.453 1.00 1.00 H new ATOM 0 HG3 ARG A 80 5.492 7.829 6.564 1.00 1.00 H new ATOM 0 HD2 ARG A 80 5.287 9.996 5.968 1.00 1.00 H new ATOM 0 HD3 ARG A 80 3.957 9.519 4.931 1.00 1.00 H new ATOM 0 HE ARG A 80 2.402 10.363 6.481 1.00 1.00 H new ATOM 0 HH11 ARG A 80 5.602 10.430 8.001 1.00 1.00 H new ATOM 0 HH12 ARG A 80 5.037 11.520 9.271 1.00 1.00 H new ATOM 0 HH21 ARG A 80 1.869 11.855 8.099 1.00 1.00 H new ATOM 0 HH22 ARG A 80 3.074 12.271 9.323 1.00 1.00 H new ATOM 35 N LYS A 81 0.167 6.714 4.362 1.00 1.00 N ATOM 36 CA LYS A 81 -0.782 6.285 3.337 1.00 1.00 C ATOM 37 C LYS A 81 -0.395 6.870 1.982 1.00 1.00 C ATOM 38 O LYS A 81 -0.188 8.071 1.817 1.00 1.00 O ATOM 39 CB LYS A 81 -2.190 6.767 3.734 1.00 1.00 C ATOM 40 CG LYS A 81 -2.784 5.983 4.918 1.00 1.00 C ATOM 41 CD LYS A 81 -3.839 6.805 5.673 1.00 1.00 C ATOM 42 CE LYS A 81 -4.577 5.915 6.687 1.00 1.00 C ATOM 43 NZ LYS A 81 -5.355 6.722 7.670 1.00 1.00 N ATOM 0 H LYS A 81 -0.312 7.190 5.127 1.00 1.00 H new ATOM 0 HA LYS A 81 -0.770 5.198 3.259 1.00 1.00 H new ATOM 0 HB2 LYS A 81 -2.146 7.825 3.992 1.00 1.00 H new ATOM 0 HB3 LYS A 81 -2.855 6.675 2.875 1.00 1.00 H new ATOM 0 HG2 LYS A 81 -3.235 5.060 4.553 1.00 1.00 H new ATOM 0 HG3 LYS A 81 -1.985 5.699 5.603 1.00 1.00 H new ATOM 0 HD2 LYS A 81 -3.361 7.638 6.189 1.00 1.00 H new ATOM 0 HD3 LYS A 81 -4.551 7.233 4.967 1.00 1.00 H new ATOM 0 HE2 LYS A 81 -5.250 5.241 6.157 1.00 1.00 H new ATOM 0 HE3 LYS A 81 -3.856 5.293 7.217 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -5.994 6.098 8.203 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 -4.701 7.192 8.328 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -5.914 7.439 7.165 1.00 1.00 H new ATOM 57 N VAL A 82 -0.307 5.967 1.021 1.00 1.00 N ATOM 58 CA VAL A 82 -0.075 6.275 -0.390 1.00 1.00 C ATOM 59 C VAL A 82 -1.305 6.933 -1.006 1.00 1.00 C ATOM 60 O VAL A 82 -2.430 6.447 -0.856 1.00 1.00 O ATOM 61 CB VAL A 82 0.255 4.996 -1.183 1.00 1.00 C ATOM 62 CG1 VAL A 82 0.391 5.255 -2.693 1.00 1.00 C ATOM 63 CG2 VAL A 82 1.538 4.362 -0.650 1.00 1.00 C ATOM 0 H VAL A 82 -0.397 4.967 1.201 1.00 1.00 H new ATOM 0 HA VAL A 82 0.771 6.961 -0.442 1.00 1.00 H new ATOM 0 HB VAL A 82 -0.582 4.312 -1.045 1.00 1.00 H new ATOM 0 HG11 VAL A 82 0.624 4.320 -3.203 1.00 1.00 H new ATOM 0 HG12 VAL A 82 -0.546 5.656 -3.079 1.00 1.00 H new ATOM 0 HG13 VAL A 82 1.192 5.973 -2.868 1.00 1.00 H new ATOM 0 HG21 VAL A 82 1.761 3.459 -1.218 1.00 1.00 H new ATOM 0 HG22 VAL A 82 2.362 5.068 -0.752 1.00 1.00 H new ATOM 0 HG23 VAL A 82 1.408 4.106 0.402 1.00 1.00 H new ATOM 73 N LYS A 83 -1.086 8.011 -1.750 1.00 1.00 N ATOM 74 CA LYS A 83 -2.073 8.632 -2.617 1.00 1.00 C ATOM 75 C LYS A 83 -1.651 8.323 -4.043 1.00 1.00 C ATOM 76 O LYS A 83 -0.517 8.596 -4.445 1.00 1.00 O ATOM 77 CB LYS A 83 -2.176 10.156 -2.439 1.00 1.00 C ATOM 78 CG LYS A 83 -3.329 10.553 -1.513 1.00 1.00 C ATOM 79 CD LYS A 83 -3.320 12.078 -1.334 1.00 1.00 C ATOM 80 CE LYS A 83 -4.602 12.600 -0.693 1.00 1.00 C ATOM 81 NZ LYS A 83 -4.373 13.915 -0.059 1.00 1.00 N ATOM 0 H LYS A 83 -0.186 8.491 -1.765 1.00 1.00 H new ATOM 0 HA LYS A 83 -3.056 8.234 -2.367 1.00 1.00 H new ATOM 0 HB2 LYS A 83 -1.239 10.537 -2.033 1.00 1.00 H new ATOM 0 HB3 LYS A 83 -2.316 10.625 -3.413 1.00 1.00 H new ATOM 0 HG2 LYS A 83 -4.280 10.229 -1.935 1.00 1.00 H new ATOM 0 HG3 LYS A 83 -3.224 10.059 -0.547 1.00 1.00 H new ATOM 0 HD2 LYS A 83 -2.468 12.363 -0.717 1.00 1.00 H new ATOM 0 HD3 LYS A 83 -3.184 12.554 -2.305 1.00 1.00 H new ATOM 0 HE2 LYS A 83 -5.383 12.686 -1.449 1.00 1.00 H new ATOM 0 HE3 LYS A 83 -4.957 11.889 0.052 1.00 1.00 H new ATOM 0 HZ1 LYS A 83 -5.271 14.438 -0.010 1.00 1.00 H new ATOM 0 HZ2 LYS A 83 -4.000 13.777 0.902 1.00 1.00 H new ATOM 0 HZ3 LYS A 83 -3.687 14.457 -0.622 1.00 1.00 H new ATOM 95 N GLN A 84 -2.538 7.675 -4.786 1.00 1.00 N ATOM 96 CA GLN A 84 -2.374 7.549 -6.214 1.00 1.00 C ATOM 97 C GLN A 84 -2.967 8.846 -6.762 1.00 1.00 C ATOM 98 O GLN A 84 -3.973 9.346 -6.262 1.00 1.00 O ATOM 99 CB GLN A 84 -3.064 6.282 -6.757 1.00 1.00 C ATOM 100 CG GLN A 84 -3.769 6.441 -8.108 1.00 1.00 C ATOM 101 CD GLN A 84 -4.310 5.104 -8.612 1.00 1.00 C ATOM 102 OE1 GLN A 84 -5.494 4.809 -8.529 1.00 1.00 O ATOM 103 NE2 GLN A 84 -3.469 4.230 -9.129 1.00 1.00 N ATOM 0 H GLN A 84 -3.378 7.230 -4.415 1.00 1.00 H new ATOM 0 HA GLN A 84 -1.335 7.424 -6.519 1.00 1.00 H new ATOM 0 HB2 GLN A 84 -2.317 5.493 -6.848 1.00 1.00 H new ATOM 0 HB3 GLN A 84 -3.796 5.945 -6.023 1.00 1.00 H new ATOM 0 HG2 GLN A 84 -4.588 7.154 -8.012 1.00 1.00 H new ATOM 0 HG3 GLN A 84 -3.072 6.852 -8.838 1.00 1.00 H new ATOM 0 HE21 GLN A 84 -2.478 4.460 -9.206 1.00 1.00 H new ATOM 0 HE22 GLN A 84 -3.809 3.324 -9.452 1.00 1.00 H new ATOM 112 N TYR A 85 -2.367 9.350 -7.824 1.00 1.00 N ATOM 113 CA TYR A 85 -2.856 10.509 -8.557 1.00 1.00 C ATOM 114 C TYR A 85 -2.947 10.121 -10.032 1.00 1.00 C ATOM 115 O TYR A 85 -2.056 9.442 -10.534 1.00 1.00 O ATOM 116 CB TYR A 85 -1.896 11.688 -8.343 1.00 1.00 C ATOM 117 CG TYR A 85 -1.664 12.105 -6.903 1.00 1.00 C ATOM 118 CD1 TYR A 85 -2.546 13.019 -6.299 1.00 1.00 C ATOM 119 CD2 TYR A 85 -0.543 11.635 -6.191 1.00 1.00 C ATOM 120 CE1 TYR A 85 -2.298 13.496 -4.998 1.00 1.00 C ATOM 121 CE2 TYR A 85 -0.288 12.106 -4.889 1.00 1.00 C ATOM 122 CZ TYR A 85 -1.157 13.052 -4.297 1.00 1.00 C ATOM 123 OH TYR A 85 -0.899 13.528 -3.053 1.00 1.00 O ATOM 0 H TYR A 85 -1.508 8.959 -8.211 1.00 1.00 H new ATOM 0 HA TYR A 85 -3.840 10.817 -8.205 1.00 1.00 H new ATOM 0 HB2 TYR A 85 -0.933 11.432 -8.786 1.00 1.00 H new ATOM 0 HB3 TYR A 85 -2.280 12.548 -8.892 1.00 1.00 H new ATOM 0 HD1 TYR A 85 -3.419 13.357 -6.837 1.00 1.00 H new ATOM 0 HD2 TYR A 85 0.121 10.913 -6.644 1.00 1.00 H new ATOM 0 HE1 TYR A 85 -2.978 14.198 -4.539 1.00 1.00 H new ATOM 0 HE2 TYR A 85 0.571 11.745 -4.342 1.00 1.00 H new ATOM 0 HH TYR A 85 -1.628 14.119 -2.771 1.00 1.00 H new ATOM 133 N LYS A 86 -3.990 10.558 -10.735 1.00 1.00 N ATOM 134 CA LYS A 86 -4.197 10.315 -12.170 1.00 1.00 C ATOM 135 C LYS A 86 -4.558 11.627 -12.861 1.00 1.00 C ATOM 136 O LYS A 86 -5.316 12.411 -12.304 1.00 1.00 O ATOM 137 CB LYS A 86 -5.289 9.243 -12.336 1.00 1.00 C ATOM 138 CG LYS A 86 -5.686 9.010 -13.805 1.00 1.00 C ATOM 139 CD LYS A 86 -6.530 7.735 -13.951 1.00 1.00 C ATOM 140 CE LYS A 86 -6.832 7.463 -15.430 1.00 1.00 C ATOM 141 NZ LYS A 86 -7.680 6.249 -15.604 1.00 1.00 N ATOM 0 H LYS A 86 -4.739 11.108 -10.314 1.00 1.00 H new ATOM 0 HA LYS A 86 -3.286 9.943 -12.640 1.00 1.00 H new ATOM 0 HB2 LYS A 86 -4.937 8.305 -11.907 1.00 1.00 H new ATOM 0 HB3 LYS A 86 -6.172 9.541 -11.770 1.00 1.00 H new ATOM 0 HG2 LYS A 86 -6.249 9.867 -14.174 1.00 1.00 H new ATOM 0 HG3 LYS A 86 -4.789 8.929 -14.419 1.00 1.00 H new ATOM 0 HD2 LYS A 86 -5.998 6.887 -13.520 1.00 1.00 H new ATOM 0 HD3 LYS A 86 -7.462 7.842 -13.396 1.00 1.00 H new ATOM 0 HE2 LYS A 86 -7.338 8.326 -15.863 1.00 1.00 H new ATOM 0 HE3 LYS A 86 -5.897 7.335 -15.975 1.00 1.00 H new ATOM 0 HZ1 LYS A 86 -7.864 6.096 -16.616 1.00 1.00 H new ATOM 0 HZ2 LYS A 86 -7.186 5.422 -15.213 1.00 1.00 H new ATOM 0 HZ3 LYS A 86 -8.582 6.381 -15.104 1.00 1.00 H new ATOM 155 N ASN A 87 -4.019 11.867 -14.050 1.00 1.00 N ATOM 156 CA ASN A 87 -4.181 13.143 -14.754 1.00 1.00 C ATOM 157 C ASN A 87 -5.166 13.041 -15.938 1.00 1.00 C ATOM 158 O ASN A 87 -4.825 12.435 -16.956 1.00 1.00 O ATOM 159 CB ASN A 87 -2.786 13.607 -15.180 1.00 1.00 C ATOM 160 CG ASN A 87 -2.772 14.998 -15.778 1.00 1.00 C ATOM 161 OD1 ASN A 87 -3.730 15.478 -16.363 1.00 1.00 O ATOM 162 ND2 ASN A 87 -1.689 15.708 -15.620 1.00 1.00 N ATOM 0 H ASN A 87 -3.456 11.185 -14.558 1.00 1.00 H new ATOM 0 HA ASN A 87 -4.630 13.884 -14.093 1.00 1.00 H new ATOM 0 HB2 ASN A 87 -2.124 13.585 -14.315 1.00 1.00 H new ATOM 0 HB3 ASN A 87 -2.383 12.903 -15.908 1.00 1.00 H new ATOM 0 HD21 ASN A 87 -1.645 16.660 -15.985 1.00 1.00 H new ATOM 0 HD22 ASN A 87 -0.886 15.311 -15.132 1.00 1.00 H new ATOM 169 N PRO A 88 -6.365 13.661 -15.854 1.00 1.00 N ATOM 170 CA PRO A 88 -7.352 13.707 -16.941 1.00 1.00 C ATOM 171 C PRO A 88 -6.832 14.212 -18.300 1.00 1.00 C ATOM 172 O PRO A 88 -7.377 13.838 -19.341 1.00 1.00 O ATOM 173 CB PRO A 88 -8.473 14.627 -16.435 1.00 1.00 C ATOM 174 CG PRO A 88 -8.389 14.507 -14.917 1.00 1.00 C ATOM 175 CD PRO A 88 -6.895 14.333 -14.675 1.00 1.00 C ATOM 0 HA PRO A 88 -7.671 12.687 -17.154 1.00 1.00 H new ATOM 0 HB2 PRO A 88 -8.324 15.656 -16.763 1.00 1.00 H new ATOM 0 HB3 PRO A 88 -9.448 14.311 -16.807 1.00 1.00 H new ATOM 0 HG2 PRO A 88 -8.779 15.395 -14.419 1.00 1.00 H new ATOM 0 HG3 PRO A 88 -8.961 13.656 -14.546 1.00 1.00 H new ATOM 0 HD2 PRO A 88 -6.410 15.298 -14.527 1.00 1.00 H new ATOM 0 HD3 PRO A 88 -6.713 13.743 -13.777 1.00 1.00 H new ATOM 183 N HIS A 89 -5.794 15.061 -18.305 1.00 1.00 N ATOM 184 CA HIS A 89 -5.259 15.730 -19.505 1.00 1.00 C ATOM 185 C HIS A 89 -4.187 14.921 -20.255 1.00 1.00 C ATOM 186 O HIS A 89 -3.919 15.213 -21.419 1.00 1.00 O ATOM 187 CB HIS A 89 -4.722 17.117 -19.106 1.00 1.00 C ATOM 188 CG HIS A 89 -5.739 17.955 -18.369 1.00 1.00 C ATOM 189 ND1 HIS A 89 -6.786 18.654 -18.942 1.00 1.00 N ATOM 190 CD2 HIS A 89 -5.800 18.140 -17.015 1.00 1.00 C ATOM 191 CE1 HIS A 89 -7.471 19.261 -17.952 1.00 1.00 C ATOM 192 NE2 HIS A 89 -6.885 18.966 -16.772 1.00 1.00 N ATOM 0 H HIS A 89 -5.289 15.309 -17.454 1.00 1.00 H new ATOM 0 HA HIS A 89 -6.083 15.825 -20.212 1.00 1.00 H new ATOM 0 HB2 HIS A 89 -3.840 16.992 -18.479 1.00 1.00 H new ATOM 0 HB3 HIS A 89 -4.403 17.648 -20.003 1.00 1.00 H new ATOM 0 HD2 HIS A 89 -5.131 17.722 -16.277 1.00 1.00 H new ATOM 0 HE1 HIS A 89 -8.345 19.882 -18.082 1.00 1.00 H new ATOM 0 HE2 HIS A 89 -7.190 19.296 -15.856 1.00 1.00 H new ATOM 201 N THR A 90 -3.587 13.907 -19.615 1.00 1.00 N ATOM 202 CA THR A 90 -2.462 13.122 -20.170 1.00 1.00 C ATOM 203 C THR A 90 -2.661 11.604 -20.096 1.00 1.00 C ATOM 204 O THR A 90 -2.039 10.866 -20.862 1.00 1.00 O ATOM 205 CB THR A 90 -1.153 13.457 -19.443 1.00 1.00 C ATOM 206 OG1 THR A 90 -1.241 12.996 -18.113 1.00 1.00 O ATOM 207 CG2 THR A 90 -0.867 14.949 -19.348 1.00 1.00 C ATOM 0 H THR A 90 -3.869 13.601 -18.684 1.00 1.00 H new ATOM 0 HA THR A 90 -2.419 13.405 -21.222 1.00 1.00 H new ATOM 0 HB THR A 90 -0.360 12.983 -20.022 1.00 1.00 H new ATOM 0 HG1 THR A 90 -0.482 13.340 -17.597 1.00 1.00 H new ATOM 0 HG21 THR A 90 0.074 15.106 -18.821 1.00 1.00 H new ATOM 0 HG22 THR A 90 -0.797 15.371 -20.351 1.00 1.00 H new ATOM 0 HG23 THR A 90 -1.674 15.440 -18.804 1.00 1.00 H new ATOM 215 N GLY A 91 -3.524 11.123 -19.193 1.00 1.00 N ATOM 216 CA GLY A 91 -3.700 9.697 -18.903 1.00 1.00 C ATOM 217 C GLY A 91 -2.567 9.072 -18.069 1.00 1.00 C ATOM 218 O GLY A 91 -2.550 7.853 -17.894 1.00 1.00 O ATOM 0 H GLY A 91 -4.129 11.725 -18.635 1.00 1.00 H new ATOM 0 HA2 GLY A 91 -4.643 9.560 -18.373 1.00 1.00 H new ATOM 0 HA3 GLY A 91 -3.783 9.155 -19.845 1.00 1.00 H new ATOM 222 N GLU A 92 -1.623 9.870 -17.555 1.00 1.00 N ATOM 223 CA GLU A 92 -0.588 9.418 -16.640 1.00 1.00 C ATOM 224 C GLU A 92 -1.150 9.249 -15.232 1.00 1.00 C ATOM 225 O GLU A 92 -2.124 9.879 -14.819 1.00 1.00 O ATOM 226 CB GLU A 92 0.590 10.401 -16.583 1.00 1.00 C ATOM 227 CG GLU A 92 1.547 10.231 -17.761 1.00 1.00 C ATOM 228 CD GLU A 92 2.540 9.070 -17.539 1.00 1.00 C ATOM 229 OE1 GLU A 92 2.130 7.886 -17.609 1.00 1.00 O ATOM 230 OE2 GLU A 92 3.746 9.333 -17.309 1.00 1.00 O ATOM 0 H GLU A 92 -1.563 10.865 -17.772 1.00 1.00 H new ATOM 0 HA GLU A 92 -0.231 8.460 -17.017 1.00 1.00 H new ATOM 0 HB2 GLU A 92 0.208 11.422 -16.573 1.00 1.00 H new ATOM 0 HB3 GLU A 92 1.136 10.256 -15.651 1.00 1.00 H new ATOM 0 HG2 GLU A 92 0.974 10.048 -18.670 1.00 1.00 H new ATOM 0 HG3 GLU A 92 2.101 11.157 -17.914 1.00 1.00 H new ATOM 237 N VAL A 93 -0.457 8.408 -14.483 1.00 1.00 N ATOM 238 CA VAL A 93 -0.725 8.042 -13.094 1.00 1.00 C ATOM 239 C VAL A 93 0.588 8.036 -12.303 1.00 1.00 C ATOM 240 O VAL A 93 1.675 7.831 -12.848 1.00 1.00 O ATOM 241 CB VAL A 93 -1.401 6.661 -13.035 1.00 1.00 C ATOM 242 CG1 VAL A 93 -1.917 6.263 -11.638 1.00 1.00 C ATOM 243 CG2 VAL A 93 -2.600 6.587 -13.994 1.00 1.00 C ATOM 0 H VAL A 93 0.365 7.928 -14.850 1.00 1.00 H new ATOM 0 HA VAL A 93 -1.400 8.773 -12.649 1.00 1.00 H new ATOM 0 HB VAL A 93 -0.610 5.968 -13.321 1.00 1.00 H new ATOM 0 HG11 VAL A 93 -2.378 5.277 -11.688 1.00 1.00 H new ATOM 0 HG12 VAL A 93 -1.084 6.239 -10.936 1.00 1.00 H new ATOM 0 HG13 VAL A 93 -2.654 6.992 -11.301 1.00 1.00 H new ATOM 0 HG21 VAL A 93 -3.057 5.599 -13.930 1.00 1.00 H new ATOM 0 HG22 VAL A 93 -3.334 7.345 -13.719 1.00 1.00 H new ATOM 0 HG23 VAL A 93 -2.261 6.764 -15.015 1.00 1.00 H new ATOM 253 N ILE A 94 0.464 8.229 -10.998 1.00 1.00 N ATOM 254 CA ILE A 94 1.522 8.222 -9.983 1.00 1.00 C ATOM 255 C ILE A 94 0.979 7.617 -8.687 1.00 1.00 C ATOM 256 O ILE A 94 -0.229 7.507 -8.493 1.00 1.00 O ATOM 257 CB ILE A 94 2.071 9.639 -9.653 1.00 1.00 C ATOM 258 CG1 ILE A 94 1.488 10.797 -10.492 1.00 1.00 C ATOM 259 CG2 ILE A 94 3.606 9.640 -9.715 1.00 1.00 C ATOM 260 CD1 ILE A 94 1.864 12.167 -9.921 1.00 1.00 C ATOM 0 H ILE A 94 -0.450 8.409 -10.582 1.00 1.00 H new ATOM 0 HA ILE A 94 2.340 7.633 -10.398 1.00 1.00 H new ATOM 0 HB ILE A 94 1.729 9.844 -8.639 1.00 1.00 H new ATOM 0 HG12 ILE A 94 1.851 10.720 -11.517 1.00 1.00 H new ATOM 0 HG13 ILE A 94 0.402 10.706 -10.530 1.00 1.00 H new ATOM 0 HG21 ILE A 94 3.979 10.637 -9.482 1.00 1.00 H new ATOM 0 HG22 ILE A 94 4.000 8.927 -8.991 1.00 1.00 H new ATOM 0 HG23 ILE A 94 3.930 9.356 -10.716 1.00 1.00 H new ATOM 0 HD11 ILE A 94 1.433 12.951 -10.543 1.00 1.00 H new ATOM 0 HD12 ILE A 94 1.479 12.256 -8.905 1.00 1.00 H new ATOM 0 HD13 ILE A 94 2.949 12.270 -9.908 1.00 1.00 H new ATOM 272 N GLU A 95 1.891 7.331 -7.767 1.00 1.00 N ATOM 273 CA GLU A 95 1.667 6.877 -6.394 1.00 1.00 C ATOM 274 C GLU A 95 2.786 7.423 -5.498 1.00 1.00 C ATOM 275 O GLU A 95 3.968 7.168 -5.747 1.00 1.00 O ATOM 276 CB GLU A 95 1.720 5.347 -6.342 1.00 1.00 C ATOM 277 CG GLU A 95 0.406 4.697 -6.772 1.00 1.00 C ATOM 278 CD GLU A 95 0.543 3.164 -6.870 1.00 1.00 C ATOM 279 OE1 GLU A 95 0.833 2.501 -5.844 1.00 1.00 O ATOM 280 OE2 GLU A 95 0.367 2.607 -7.982 1.00 1.00 O ATOM 0 H GLU A 95 2.886 7.416 -7.975 1.00 1.00 H new ATOM 0 HA GLU A 95 0.693 7.230 -6.054 1.00 1.00 H new ATOM 0 HB2 GLU A 95 2.524 4.993 -6.987 1.00 1.00 H new ATOM 0 HB3 GLU A 95 1.963 5.030 -5.328 1.00 1.00 H new ATOM 0 HG2 GLU A 95 -0.377 4.949 -6.057 1.00 1.00 H new ATOM 0 HG3 GLU A 95 0.098 5.099 -7.737 1.00 1.00 H new ATOM 287 N THR A 96 2.423 8.181 -4.466 1.00 1.00 N ATOM 288 CA THR A 96 3.377 8.802 -3.522 1.00 1.00 C ATOM 289 C THR A 96 2.760 8.864 -2.118 1.00 1.00 C ATOM 290 O THR A 96 1.539 8.837 -1.976 1.00 1.00 O ATOM 291 CB THR A 96 3.845 10.212 -3.978 1.00 1.00 C ATOM 292 OG1 THR A 96 3.186 11.239 -3.264 1.00 1.00 O ATOM 293 CG2 THR A 96 3.622 10.538 -5.464 1.00 1.00 C ATOM 0 H THR A 96 1.448 8.390 -4.251 1.00 1.00 H new ATOM 0 HA THR A 96 4.267 8.173 -3.502 1.00 1.00 H new ATOM 0 HB THR A 96 4.916 10.175 -3.781 1.00 1.00 H new ATOM 0 HG1 THR A 96 3.506 12.111 -3.576 1.00 1.00 H new ATOM 0 HG21 THR A 96 3.984 11.545 -5.674 1.00 1.00 H new ATOM 0 HG22 THR A 96 4.166 9.821 -6.079 1.00 1.00 H new ATOM 0 HG23 THR A 96 2.558 10.480 -5.694 1.00 1.00 H new ATOM 301 N LYS A 97 3.572 8.937 -1.060 1.00 1.00 N ATOM 302 CA LYS A 97 3.100 9.092 0.335 1.00 1.00 C ATOM 303 C LYS A 97 3.119 10.565 0.794 1.00 1.00 C ATOM 304 O LYS A 97 2.966 10.850 1.983 1.00 1.00 O ATOM 305 CB LYS A 97 3.954 8.204 1.253 1.00 1.00 C ATOM 306 CG LYS A 97 4.025 6.727 0.819 1.00 1.00 C ATOM 307 CD LYS A 97 5.098 5.949 1.597 1.00 1.00 C ATOM 308 CE LYS A 97 5.459 4.602 0.946 1.00 1.00 C ATOM 309 NZ LYS A 97 6.212 4.778 -0.332 1.00 1.00 N ATOM 0 H LYS A 97 4.588 8.890 -1.140 1.00 1.00 H new ATOM 0 HA LYS A 97 2.059 8.773 0.390 1.00 1.00 H new ATOM 0 HB2 LYS A 97 4.966 8.608 1.292 1.00 1.00 H new ATOM 0 HB3 LYS A 97 3.552 8.254 2.265 1.00 1.00 H new ATOM 0 HG2 LYS A 97 3.054 6.257 0.973 1.00 1.00 H new ATOM 0 HG3 LYS A 97 4.240 6.673 -0.248 1.00 1.00 H new ATOM 0 HD2 LYS A 97 5.997 6.561 1.675 1.00 1.00 H new ATOM 0 HD3 LYS A 97 4.745 5.772 2.613 1.00 1.00 H new ATOM 0 HE2 LYS A 97 6.058 4.013 1.641 1.00 1.00 H new ATOM 0 HE3 LYS A 97 4.547 4.037 0.754 1.00 1.00 H new ATOM 0 HZ1 LYS A 97 6.651 3.875 -0.603 1.00 1.00 H new ATOM 0 HZ2 LYS A 97 5.558 5.084 -1.081 1.00 1.00 H new ATOM 0 HZ3 LYS A 97 6.951 5.498 -0.203 1.00 1.00 H new ATOM 323 N GLY A 98 3.352 11.487 -0.143 1.00 1.00 N ATOM 324 CA GLY A 98 3.582 12.912 0.061 1.00 1.00 C ATOM 325 C GLY A 98 4.892 13.404 -0.571 1.00 1.00 C ATOM 326 O GLY A 98 5.538 12.699 -1.353 1.00 1.00 O ATOM 0 H GLY A 98 3.387 11.236 -1.131 1.00 1.00 H new ATOM 0 HA2 GLY A 98 2.748 13.473 -0.361 1.00 1.00 H new ATOM 0 HA3 GLY A 98 3.599 13.122 1.130 1.00 1.00 H new ATOM 330 N GLY A 99 5.281 14.624 -0.201 1.00 1.00 N ATOM 331 CA GLY A 99 6.585 15.211 -0.501 1.00 1.00 C ATOM 332 C GLY A 99 6.804 15.737 -1.929 1.00 1.00 C ATOM 333 O GLY A 99 6.021 15.520 -2.858 1.00 1.00 O ATOM 0 H GLY A 99 4.678 15.250 0.332 1.00 1.00 H new ATOM 0 HA2 GLY A 99 6.753 16.035 0.193 1.00 1.00 H new ATOM 0 HA3 GLY A 99 7.349 14.461 -0.296 1.00 1.00 H new ATOM 337 N ASN A 100 7.923 16.442 -2.083 1.00 1.00 N ATOM 338 CA ASN A 100 8.531 16.890 -3.332 1.00 1.00 C ATOM 339 C ASN A 100 8.806 15.657 -4.228 1.00 1.00 C ATOM 340 O ASN A 100 9.744 14.897 -3.985 1.00 1.00 O ATOM 341 CB ASN A 100 9.789 17.697 -2.922 1.00 1.00 C ATOM 342 CG ASN A 100 10.854 17.931 -3.981 1.00 1.00 C ATOM 343 OD1 ASN A 100 10.669 17.735 -5.177 1.00 1.00 O ATOM 344 ND2 ASN A 100 12.008 18.382 -3.534 1.00 1.00 N ATOM 0 H ASN A 100 8.470 16.737 -1.274 1.00 1.00 H new ATOM 0 HA ASN A 100 7.894 17.538 -3.934 1.00 1.00 H new ATOM 0 HB2 ASN A 100 9.459 18.670 -2.557 1.00 1.00 H new ATOM 0 HB3 ASN A 100 10.258 17.184 -2.082 1.00 1.00 H new ATOM 0 HD21 ASN A 100 12.768 18.575 -4.187 1.00 1.00 H new ATOM 0 HD22 ASN A 100 12.142 18.539 -2.535 1.00 1.00 H new ATOM 351 N HIS A 101 7.935 15.425 -5.228 1.00 1.00 N ATOM 352 CA HIS A 101 8.040 14.327 -6.207 1.00 1.00 C ATOM 353 C HIS A 101 7.875 14.860 -7.638 1.00 1.00 C ATOM 354 O HIS A 101 6.938 15.610 -7.899 1.00 1.00 O ATOM 355 CB HIS A 101 7.036 13.217 -5.832 1.00 1.00 C ATOM 356 CG HIS A 101 7.264 11.932 -6.592 1.00 1.00 C ATOM 357 ND1 HIS A 101 8.270 11.003 -6.361 1.00 1.00 N ATOM 358 CD2 HIS A 101 6.525 11.484 -7.655 1.00 1.00 C ATOM 359 CE1 HIS A 101 8.139 10.011 -7.263 1.00 1.00 C ATOM 360 NE2 HIS A 101 7.086 10.283 -8.064 1.00 1.00 N ATOM 0 H HIS A 101 7.116 16.013 -5.381 1.00 1.00 H new ATOM 0 HA HIS A 101 9.034 13.881 -6.177 1.00 1.00 H new ATOM 0 HB2 HIS A 101 7.107 13.017 -4.763 1.00 1.00 H new ATOM 0 HB3 HIS A 101 6.023 13.571 -6.024 1.00 1.00 H new ATOM 0 HD1 HIS A 101 8.984 11.062 -5.635 1.00 1.00 H new ATOM 0 HD2 HIS A 101 5.667 11.974 -8.092 1.00 1.00 H new ATOM 0 HE1 HIS A 101 8.773 9.140 -7.334 1.00 1.00 H new ATOM 369 N LYS A 102 8.744 14.444 -8.572 1.00 1.00 N ATOM 370 CA LYS A 102 8.892 15.009 -9.935 1.00 1.00 C ATOM 371 C LYS A 102 7.578 15.262 -10.690 1.00 1.00 C ATOM 372 O LYS A 102 7.162 16.409 -10.816 1.00 1.00 O ATOM 373 CB LYS A 102 9.887 14.139 -10.734 1.00 1.00 C ATOM 374 CG LYS A 102 10.499 14.897 -11.907 1.00 1.00 C ATOM 375 CD LYS A 102 11.571 15.882 -11.417 1.00 1.00 C ATOM 376 CE LYS A 102 12.365 16.294 -12.645 1.00 1.00 C ATOM 377 NZ LYS A 102 13.556 17.106 -12.284 1.00 1.00 N ATOM 0 H LYS A 102 9.391 13.675 -8.398 1.00 1.00 H new ATOM 0 HA LYS A 102 9.293 16.016 -9.819 1.00 1.00 H new ATOM 0 HB2 LYS A 102 10.681 13.796 -10.071 1.00 1.00 H new ATOM 0 HB3 LYS A 102 9.375 13.251 -11.104 1.00 1.00 H new ATOM 0 HG2 LYS A 102 10.941 14.192 -12.611 1.00 1.00 H new ATOM 0 HG3 LYS A 102 9.719 15.438 -12.444 1.00 1.00 H new ATOM 0 HD2 LYS A 102 11.114 16.749 -10.941 1.00 1.00 H new ATOM 0 HD3 LYS A 102 12.218 15.415 -10.674 1.00 1.00 H new ATOM 0 HE2 LYS A 102 12.683 15.404 -13.188 1.00 1.00 H new ATOM 0 HE3 LYS A 102 11.725 16.866 -13.317 1.00 1.00 H new ATOM 0 HZ1 LYS A 102 14.025 17.439 -13.151 1.00 1.00 H new ATOM 0 HZ2 LYS A 102 13.259 17.924 -11.715 1.00 1.00 H new ATOM 0 HZ3 LYS A 102 14.219 16.524 -11.734 1.00 1.00 H new ATOM 391 N THR A 103 6.875 14.209 -11.116 1.00 1.00 N ATOM 392 CA THR A 103 5.642 14.322 -11.929 1.00 1.00 C ATOM 393 C THR A 103 4.540 15.085 -11.193 1.00 1.00 C ATOM 394 O THR A 103 3.886 15.952 -11.770 1.00 1.00 O ATOM 395 CB THR A 103 5.133 12.936 -12.360 1.00 1.00 C ATOM 396 OG1 THR A 103 6.180 12.232 -12.996 1.00 1.00 O ATOM 397 CG2 THR A 103 3.960 13.063 -13.331 1.00 1.00 C ATOM 0 H THR A 103 7.139 13.246 -10.910 1.00 1.00 H new ATOM 0 HA THR A 103 5.903 14.891 -12.821 1.00 1.00 H new ATOM 0 HB THR A 103 4.798 12.400 -11.472 1.00 1.00 H new ATOM 0 HG1 THR A 103 5.860 11.347 -13.271 1.00 1.00 H new ATOM 0 HG21 THR A 103 3.618 12.069 -13.621 1.00 1.00 H new ATOM 0 HG22 THR A 103 3.144 13.601 -12.848 1.00 1.00 H new ATOM 0 HG23 THR A 103 4.280 13.610 -14.218 1.00 1.00 H new ATOM 405 N LEU A 104 4.392 14.813 -9.891 1.00 1.00 N ATOM 406 CA LEU A 104 3.423 15.482 -9.016 1.00 1.00 C ATOM 407 C LEU A 104 3.644 17.006 -8.982 1.00 1.00 C ATOM 408 O LEU A 104 2.683 17.771 -9.049 1.00 1.00 O ATOM 409 CB LEU A 104 3.523 14.819 -7.624 1.00 1.00 C ATOM 410 CG LEU A 104 2.482 15.265 -6.580 1.00 1.00 C ATOM 411 CD1 LEU A 104 1.058 14.958 -7.041 1.00 1.00 C ATOM 412 CD2 LEU A 104 2.723 14.528 -5.263 1.00 1.00 C ATOM 0 H LEU A 104 4.952 14.110 -9.408 1.00 1.00 H new ATOM 0 HA LEU A 104 2.409 15.360 -9.397 1.00 1.00 H new ATOM 0 HB2 LEU A 104 3.439 13.740 -7.752 1.00 1.00 H new ATOM 0 HB3 LEU A 104 4.517 15.016 -7.222 1.00 1.00 H new ATOM 0 HG LEU A 104 2.591 16.342 -6.450 1.00 1.00 H new ATOM 0 HD11 LEU A 104 0.350 15.286 -6.280 1.00 1.00 H new ATOM 0 HD12 LEU A 104 0.856 15.484 -7.974 1.00 1.00 H new ATOM 0 HD13 LEU A 104 0.950 13.885 -7.198 1.00 1.00 H new ATOM 0 HD21 LEU A 104 1.984 14.847 -4.527 1.00 1.00 H new ATOM 0 HD22 LEU A 104 2.633 13.454 -5.425 1.00 1.00 H new ATOM 0 HD23 LEU A 104 3.723 14.757 -4.896 1.00 1.00 H new ATOM 424 N LYS A 105 4.906 17.460 -8.963 1.00 1.00 N ATOM 425 CA LYS A 105 5.264 18.887 -9.032 1.00 1.00 C ATOM 426 C LYS A 105 4.983 19.507 -10.401 1.00 1.00 C ATOM 427 O LYS A 105 4.584 20.668 -10.453 1.00 1.00 O ATOM 428 CB LYS A 105 6.738 19.094 -8.632 1.00 1.00 C ATOM 429 CG LYS A 105 7.013 18.965 -7.119 1.00 1.00 C ATOM 430 CD LYS A 105 6.326 20.011 -6.218 1.00 1.00 C ATOM 431 CE LYS A 105 6.549 21.460 -6.689 1.00 1.00 C ATOM 432 NZ LYS A 105 6.005 22.448 -5.714 1.00 1.00 N ATOM 0 H LYS A 105 5.715 16.842 -8.899 1.00 1.00 H new ATOM 0 HA LYS A 105 4.623 19.406 -8.319 1.00 1.00 H new ATOM 0 HB2 LYS A 105 7.351 18.367 -9.164 1.00 1.00 H new ATOM 0 HB3 LYS A 105 7.056 20.082 -8.964 1.00 1.00 H new ATOM 0 HG2 LYS A 105 6.699 17.973 -6.796 1.00 1.00 H new ATOM 0 HG3 LYS A 105 8.089 19.026 -6.958 1.00 1.00 H new ATOM 0 HD2 LYS A 105 5.256 19.807 -6.187 1.00 1.00 H new ATOM 0 HD3 LYS A 105 6.700 19.905 -5.200 1.00 1.00 H new ATOM 0 HE2 LYS A 105 7.615 21.637 -6.829 1.00 1.00 H new ATOM 0 HE3 LYS A 105 6.072 21.605 -7.658 1.00 1.00 H new ATOM 0 HZ1 LYS A 105 5.877 23.366 -6.185 1.00 1.00 H new ATOM 0 HZ2 LYS A 105 5.089 22.112 -5.354 1.00 1.00 H new ATOM 0 HZ3 LYS A 105 6.670 22.556 -4.921 1.00 1.00 H new ATOM 446 N GLU A 106 5.101 18.763 -11.503 1.00 1.00 N ATOM 447 CA GLU A 106 4.754 19.288 -12.828 1.00 1.00 C ATOM 448 C GLU A 106 3.256 19.515 -12.955 1.00 1.00 C ATOM 449 O GLU A 106 2.805 20.545 -13.439 1.00 1.00 O ATOM 450 CB GLU A 106 5.169 18.353 -13.965 1.00 1.00 C ATOM 451 CG GLU A 106 6.587 17.834 -13.822 1.00 1.00 C ATOM 452 CD GLU A 106 7.091 17.224 -15.143 1.00 1.00 C ATOM 453 OE1 GLU A 106 6.880 16.010 -15.375 1.00 1.00 O ATOM 454 OE2 GLU A 106 7.713 17.953 -15.955 1.00 1.00 O ATOM 0 H GLU A 106 5.433 17.798 -11.506 1.00 1.00 H new ATOM 0 HA GLU A 106 5.301 20.227 -12.915 1.00 1.00 H new ATOM 0 HB2 GLU A 106 4.481 17.508 -14.002 1.00 1.00 H new ATOM 0 HB3 GLU A 106 5.076 18.881 -14.914 1.00 1.00 H new ATOM 0 HG2 GLU A 106 7.246 18.647 -13.519 1.00 1.00 H new ATOM 0 HG3 GLU A 106 6.625 17.083 -13.033 1.00 1.00 H new ATOM 461 N TRP A 107 2.471 18.559 -12.468 1.00 1.00 N ATOM 462 CA TRP A 107 1.009 18.675 -12.491 1.00 1.00 C ATOM 463 C TRP A 107 0.496 19.877 -11.677 1.00 1.00 C ATOM 464 O TRP A 107 -0.443 20.559 -12.097 1.00 1.00 O ATOM 465 CB TRP A 107 0.362 17.374 -12.014 1.00 1.00 C ATOM 466 CG TRP A 107 0.580 16.135 -12.829 1.00 1.00 C ATOM 467 CD1 TRP A 107 1.385 15.983 -13.911 1.00 1.00 C ATOM 468 CD2 TRP A 107 -0.024 14.825 -12.607 1.00 1.00 C ATOM 469 NE1 TRP A 107 1.327 14.675 -14.351 1.00 1.00 N ATOM 470 CE2 TRP A 107 0.523 13.909 -13.548 1.00 1.00 C ATOM 471 CE3 TRP A 107 -0.980 14.318 -11.701 1.00 1.00 C ATOM 472 CZ2 TRP A 107 0.209 12.551 -13.549 1.00 1.00 C ATOM 473 CZ3 TRP A 107 -1.355 12.961 -11.736 1.00 1.00 C ATOM 474 CH2 TRP A 107 -0.745 12.073 -12.639 1.00 1.00 C ATOM 0 H TRP A 107 2.818 17.695 -12.052 1.00 1.00 H new ATOM 0 HA TRP A 107 0.718 18.855 -13.526 1.00 1.00 H new ATOM 0 HB2 TRP A 107 0.719 17.175 -11.004 1.00 1.00 H new ATOM 0 HB3 TRP A 107 -0.713 17.542 -11.945 1.00 1.00 H new ATOM 0 HD1 TRP A 107 1.980 16.765 -14.359 1.00 1.00 H new ATOM 0 HE1 TRP A 107 1.821 14.323 -15.171 1.00 1.00 H new ATOM 0 HE3 TRP A 107 -1.429 14.978 -10.973 1.00 1.00 H new ATOM 0 HZ2 TRP A 107 0.693 11.877 -14.240 1.00 1.00 H new ATOM 0 HZ3 TRP A 107 -2.118 12.599 -11.063 1.00 1.00 H new ATOM 0 HH2 TRP A 107 -1.010 11.026 -12.632 1.00 1.00 H new ATOM 485 N LYS A 108 1.154 20.205 -10.555 1.00 1.00 N ATOM 486 CA LYS A 108 0.862 21.439 -9.798 1.00 1.00 C ATOM 487 C LYS A 108 1.213 22.709 -10.586 1.00 1.00 C ATOM 488 O LYS A 108 0.485 23.694 -10.498 1.00 1.00 O ATOM 489 CB LYS A 108 1.636 21.461 -8.479 1.00 1.00 C ATOM 490 CG LYS A 108 1.085 20.423 -7.510 1.00 1.00 C ATOM 491 CD LYS A 108 1.755 20.615 -6.152 1.00 1.00 C ATOM 492 CE LYS A 108 1.265 19.523 -5.205 1.00 1.00 C ATOM 493 NZ LYS A 108 1.743 19.794 -3.834 1.00 1.00 N ATOM 0 H LYS A 108 1.894 19.633 -10.148 1.00 1.00 H new ATOM 0 HA LYS A 108 -0.212 21.432 -9.610 1.00 1.00 H new ATOM 0 HB2 LYS A 108 2.691 21.264 -8.668 1.00 1.00 H new ATOM 0 HB3 LYS A 108 1.572 22.453 -8.031 1.00 1.00 H new ATOM 0 HG2 LYS A 108 0.004 20.530 -7.416 1.00 1.00 H new ATOM 0 HG3 LYS A 108 1.274 19.418 -7.886 1.00 1.00 H new ATOM 0 HD2 LYS A 108 2.839 20.567 -6.255 1.00 1.00 H new ATOM 0 HD3 LYS A 108 1.517 21.599 -5.749 1.00 1.00 H new ATOM 0 HE2 LYS A 108 0.176 19.480 -5.218 1.00 1.00 H new ATOM 0 HE3 LYS A 108 1.626 18.551 -5.540 1.00 1.00 H new ATOM 0 HZ1 LYS A 108 2.000 18.898 -3.373 1.00 1.00 H new ATOM 0 HZ2 LYS A 108 2.576 20.415 -3.873 1.00 1.00 H new ATOM 0 HZ3 LYS A 108 0.989 20.260 -3.289 1.00 1.00 H new ATOM 507 N ALA A 109 2.297 22.682 -11.365 1.00 1.00 N ATOM 508 CA ALA A 109 2.692 23.800 -12.216 1.00 1.00 C ATOM 509 C ALA A 109 1.670 24.018 -13.339 1.00 1.00 C ATOM 510 O ALA A 109 1.215 25.136 -13.597 1.00 1.00 O ATOM 511 CB ALA A 109 4.068 23.497 -12.829 1.00 1.00 C ATOM 0 H ALA A 109 2.925 21.880 -11.421 1.00 1.00 H new ATOM 0 HA ALA A 109 2.738 24.706 -11.611 1.00 1.00 H new ATOM 0 HB1 ALA A 109 4.373 24.327 -13.467 1.00 1.00 H new ATOM 0 HB2 ALA A 109 4.800 23.364 -12.032 1.00 1.00 H new ATOM 0 HB3 ALA A 109 4.009 22.585 -13.423 1.00 1.00 H new ATOM 517 N LYS A 110 1.322 22.910 -14.007 1.00 1.00 N ATOM 518 CA LYS A 110 0.550 22.870 -15.233 1.00 1.00 C ATOM 519 C LYS A 110 -0.955 23.115 -15.045 1.00 1.00 C ATOM 520 O LYS A 110 -1.575 23.723 -15.920 1.00 1.00 O ATOM 521 CB LYS A 110 0.814 21.533 -15.944 1.00 1.00 C ATOM 522 CG LYS A 110 2.202 21.503 -16.617 1.00 1.00 C ATOM 523 CD LYS A 110 2.511 20.163 -17.303 1.00 1.00 C ATOM 524 CE LYS A 110 1.727 19.963 -18.613 1.00 1.00 C ATOM 525 NZ LYS A 110 2.295 20.746 -19.751 1.00 1.00 N ATOM 0 H LYS A 110 1.589 21.980 -13.683 1.00 1.00 H new ATOM 0 HA LYS A 110 0.886 23.703 -15.850 1.00 1.00 H new ATOM 0 HB2 LYS A 110 0.742 20.718 -15.223 1.00 1.00 H new ATOM 0 HB3 LYS A 110 0.043 21.363 -16.695 1.00 1.00 H new ATOM 0 HG2 LYS A 110 2.259 22.303 -17.355 1.00 1.00 H new ATOM 0 HG3 LYS A 110 2.967 21.705 -15.867 1.00 1.00 H new ATOM 0 HD2 LYS A 110 3.579 20.106 -17.513 1.00 1.00 H new ATOM 0 HD3 LYS A 110 2.277 19.348 -16.618 1.00 1.00 H new ATOM 0 HE2 LYS A 110 1.724 18.904 -18.872 1.00 1.00 H new ATOM 0 HE3 LYS A 110 0.689 20.256 -18.458 1.00 1.00 H new ATOM 0 HZ1 LYS A 110 1.730 20.575 -20.607 1.00 1.00 H new ATOM 0 HZ2 LYS A 110 2.274 21.760 -19.520 1.00 1.00 H new ATOM 0 HZ3 LYS A 110 3.277 20.450 -19.920 1.00 1.00 H new ATOM 539 N TRP A 111 -1.529 22.688 -13.909 1.00 1.00 N ATOM 540 CA TRP A 111 -2.977 22.779 -13.621 1.00 1.00 C ATOM 541 C TRP A 111 -3.304 23.294 -12.204 1.00 1.00 C ATOM 542 O TRP A 111 -4.088 24.239 -12.084 1.00 1.00 O ATOM 543 CB TRP A 111 -3.650 21.423 -13.890 1.00 1.00 C ATOM 544 CG TRP A 111 -3.498 20.908 -15.293 1.00 1.00 C ATOM 545 CD1 TRP A 111 -4.228 21.296 -16.364 1.00 1.00 C ATOM 546 CD2 TRP A 111 -2.517 19.961 -15.814 1.00 1.00 C ATOM 547 NE1 TRP A 111 -3.758 20.666 -17.504 1.00 1.00 N ATOM 548 CE2 TRP A 111 -2.689 19.842 -17.224 1.00 1.00 C ATOM 549 CE3 TRP A 111 -1.480 19.211 -15.228 1.00 1.00 C ATOM 550 CZ2 TRP A 111 -1.869 19.018 -18.013 1.00 1.00 C ATOM 551 CZ3 TRP A 111 -0.621 18.418 -16.017 1.00 1.00 C ATOM 552 CH2 TRP A 111 -0.829 18.297 -17.401 1.00 1.00 C ATOM 0 H TRP A 111 -0.996 22.263 -13.151 1.00 1.00 H new ATOM 0 HA TRP A 111 -3.383 23.531 -14.298 1.00 1.00 H new ATOM 0 HB2 TRP A 111 -3.237 20.686 -13.201 1.00 1.00 H new ATOM 0 HB3 TRP A 111 -4.713 21.510 -13.664 1.00 1.00 H new ATOM 0 HD1 TRP A 111 -5.053 21.992 -16.334 1.00 1.00 H new ATOM 0 HE1 TRP A 111 -4.154 20.796 -18.435 1.00 1.00 H new ATOM 0 HE3 TRP A 111 -1.340 19.243 -14.158 1.00 1.00 H new ATOM 0 HZ2 TRP A 111 -2.036 18.939 -19.077 1.00 1.00 H new ATOM 0 HZ3 TRP A 111 0.204 17.899 -15.553 1.00 1.00 H new ATOM 0 HH2 TRP A 111 -0.193 17.654 -17.991 1.00 1.00 H new ATOM 563 N GLY A 112 -2.703 22.731 -11.146 1.00 1.00 N ATOM 564 CA GLY A 112 -2.772 23.278 -9.776 1.00 1.00 C ATOM 565 C GLY A 112 -2.875 22.235 -8.653 1.00 1.00 C ATOM 566 O GLY A 112 -3.414 21.154 -8.874 1.00 1.00 O ATOM 0 H GLY A 112 -2.150 21.876 -11.214 1.00 1.00 H new ATOM 0 HA2 GLY A 112 -1.886 23.888 -9.602 1.00 1.00 H new ATOM 0 HA3 GLY A 112 -3.634 23.942 -9.712 1.00 1.00 H new ATOM 570 N PRO A 113 -2.425 22.541 -7.420 1.00 1.00 N ATOM 571 CA PRO A 113 -2.460 21.598 -6.291 1.00 1.00 C ATOM 572 C PRO A 113 -3.871 21.159 -5.880 1.00 1.00 C ATOM 573 O PRO A 113 -4.073 20.008 -5.500 1.00 1.00 O ATOM 574 CB PRO A 113 -1.720 22.294 -5.142 1.00 1.00 C ATOM 575 CG PRO A 113 -1.756 23.777 -5.502 1.00 1.00 C ATOM 576 CD PRO A 113 -1.783 23.788 -7.026 1.00 1.00 C ATOM 0 HA PRO A 113 -1.981 20.662 -6.580 1.00 1.00 H new ATOM 0 HB2 PRO A 113 -2.208 22.106 -4.185 1.00 1.00 H new ATOM 0 HB3 PRO A 113 -0.696 21.932 -5.054 1.00 1.00 H new ATOM 0 HG2 PRO A 113 -2.635 24.268 -5.084 1.00 1.00 H new ATOM 0 HG3 PRO A 113 -0.883 24.303 -5.115 1.00 1.00 H new ATOM 0 HD2 PRO A 113 -2.337 24.649 -7.401 1.00 1.00 H new ATOM 0 HD3 PRO A 113 -0.775 23.855 -7.435 1.00 1.00 H new ATOM 584 N GLU A 114 -4.865 22.045 -6.011 1.00 1.00 N ATOM 585 CA GLU A 114 -6.269 21.743 -5.703 1.00 1.00 C ATOM 586 C GLU A 114 -6.811 20.658 -6.636 1.00 1.00 C ATOM 587 O GLU A 114 -7.415 19.675 -6.209 1.00 1.00 O ATOM 588 CB GLU A 114 -7.132 22.994 -5.895 1.00 1.00 C ATOM 589 CG GLU A 114 -6.552 24.258 -5.256 1.00 1.00 C ATOM 590 CD GLU A 114 -7.570 25.415 -5.286 1.00 1.00 C ATOM 591 OE1 GLU A 114 -7.599 26.179 -6.283 1.00 1.00 O ATOM 592 OE2 GLU A 114 -8.344 25.573 -4.312 1.00 1.00 O ATOM 0 H GLU A 114 -4.717 23.000 -6.337 1.00 1.00 H new ATOM 0 HA GLU A 114 -6.311 21.400 -4.669 1.00 1.00 H new ATOM 0 HB2 GLU A 114 -7.267 23.169 -6.962 1.00 1.00 H new ATOM 0 HB3 GLU A 114 -8.120 22.808 -5.475 1.00 1.00 H new ATOM 0 HG2 GLU A 114 -6.265 24.049 -4.225 1.00 1.00 H new ATOM 0 HG3 GLU A 114 -5.646 24.553 -5.785 1.00 1.00 H new ATOM 599 N ALA A 115 -6.526 20.847 -7.925 1.00 1.00 N ATOM 600 CA ALA A 115 -6.855 19.926 -9.000 1.00 1.00 C ATOM 601 C ALA A 115 -6.225 18.559 -8.735 1.00 1.00 C ATOM 602 O ALA A 115 -6.897 17.533 -8.666 1.00 1.00 O ATOM 603 CB ALA A 115 -6.330 20.506 -10.318 1.00 1.00 C ATOM 0 H ALA A 115 -6.040 21.681 -8.256 1.00 1.00 H new ATOM 0 HA ALA A 115 -7.936 19.796 -9.059 1.00 1.00 H new ATOM 0 HB1 ALA A 115 -6.569 19.826 -11.136 1.00 1.00 H new ATOM 0 HB2 ALA A 115 -6.798 21.473 -10.502 1.00 1.00 H new ATOM 0 HB3 ALA A 115 -5.249 20.632 -10.255 1.00 1.00 H new ATOM 609 N VAL A 116 -4.914 18.594 -8.506 1.00 1.00 N ATOM 610 CA VAL A 116 -4.058 17.441 -8.301 1.00 1.00 C ATOM 611 C VAL A 116 -4.533 16.582 -7.127 1.00 1.00 C ATOM 612 O VAL A 116 -4.708 15.375 -7.278 1.00 1.00 O ATOM 613 CB VAL A 116 -2.616 17.944 -8.145 1.00 1.00 C ATOM 614 CG1 VAL A 116 -1.628 16.938 -7.561 1.00 1.00 C ATOM 615 CG2 VAL A 116 -2.111 18.384 -9.527 1.00 1.00 C ATOM 0 H VAL A 116 -4.400 19.474 -8.457 1.00 1.00 H new ATOM 0 HA VAL A 116 -4.104 16.776 -9.163 1.00 1.00 H new ATOM 0 HB VAL A 116 -2.659 18.760 -7.424 1.00 1.00 H new ATOM 0 HG11 VAL A 116 -0.641 17.395 -7.494 1.00 1.00 H new ATOM 0 HG12 VAL A 116 -1.958 16.639 -6.566 1.00 1.00 H new ATOM 0 HG13 VAL A 116 -1.579 16.060 -8.205 1.00 1.00 H new ATOM 0 HG21 VAL A 116 -1.086 18.746 -9.442 1.00 1.00 H new ATOM 0 HG22 VAL A 116 -2.141 17.537 -10.212 1.00 1.00 H new ATOM 0 HG23 VAL A 116 -2.747 19.182 -9.910 1.00 1.00 H new ATOM 625 N GLU A 117 -4.825 17.197 -5.978 1.00 1.00 N ATOM 626 CA GLU A 117 -5.387 16.493 -4.819 1.00 1.00 C ATOM 627 C GLU A 117 -6.809 15.972 -5.078 1.00 1.00 C ATOM 628 O GLU A 117 -7.165 14.889 -4.611 1.00 1.00 O ATOM 629 CB GLU A 117 -5.429 17.446 -3.615 1.00 1.00 C ATOM 630 CG GLU A 117 -4.065 17.644 -2.951 1.00 1.00 C ATOM 631 CD GLU A 117 -3.821 16.521 -1.910 1.00 1.00 C ATOM 632 OE1 GLU A 117 -3.418 15.394 -2.282 1.00 1.00 O ATOM 633 OE2 GLU A 117 -4.135 16.710 -0.712 1.00 1.00 O ATOM 0 H GLU A 117 -4.679 18.195 -5.824 1.00 1.00 H new ATOM 0 HA GLU A 117 -4.744 15.635 -4.622 1.00 1.00 H new ATOM 0 HB2 GLU A 117 -5.811 18.414 -3.940 1.00 1.00 H new ATOM 0 HB3 GLU A 117 -6.131 17.057 -2.877 1.00 1.00 H new ATOM 0 HG2 GLU A 117 -3.278 17.631 -3.705 1.00 1.00 H new ATOM 0 HG3 GLU A 117 -4.025 18.619 -2.465 1.00 1.00 H new ATOM 640 N SER A 118 -7.625 16.716 -5.836 1.00 1.00 N ATOM 641 CA SER A 118 -8.999 16.316 -6.173 1.00 1.00 C ATOM 642 C SER A 118 -9.034 15.062 -7.060 1.00 1.00 C ATOM 643 O SER A 118 -9.910 14.206 -6.909 1.00 1.00 O ATOM 644 CB SER A 118 -9.743 17.472 -6.855 1.00 1.00 C ATOM 645 OG SER A 118 -11.119 17.159 -7.016 1.00 1.00 O ATOM 0 H SER A 118 -7.351 17.614 -6.234 1.00 1.00 H new ATOM 0 HA SER A 118 -9.503 16.069 -5.238 1.00 1.00 H new ATOM 0 HB2 SER A 118 -9.639 18.379 -6.260 1.00 1.00 H new ATOM 0 HB3 SER A 118 -9.295 17.676 -7.828 1.00 1.00 H new ATOM 0 HG SER A 118 -11.576 17.909 -7.451 1.00 1.00 H new ATOM 651 N TRP A 119 -8.036 14.904 -7.934 1.00 1.00 N ATOM 652 CA TRP A 119 -7.857 13.713 -8.767 1.00 1.00 C ATOM 653 C TRP A 119 -7.368 12.473 -7.992 1.00 1.00 C ATOM 654 O TRP A 119 -7.325 11.382 -8.565 1.00 1.00 O ATOM 655 CB TRP A 119 -6.848 13.992 -9.894 1.00 1.00 C ATOM 656 CG TRP A 119 -7.025 15.191 -10.782 1.00 1.00 C ATOM 657 CD1 TRP A 119 -8.179 15.847 -11.050 1.00 1.00 C ATOM 658 CD2 TRP A 119 -5.992 15.885 -11.553 1.00 1.00 C ATOM 659 NE1 TRP A 119 -7.924 16.915 -11.893 1.00 1.00 N ATOM 660 CE2 TRP A 119 -6.591 16.987 -12.232 1.00 1.00 C ATOM 661 CE3 TRP A 119 -4.606 15.683 -11.756 1.00 1.00 C ATOM 662 CZ2 TRP A 119 -5.851 17.864 -13.042 1.00 1.00 C ATOM 663 CZ3 TRP A 119 -3.858 16.546 -12.584 1.00 1.00 C ATOM 664 CH2 TRP A 119 -4.476 17.638 -13.216 1.00 1.00 C ATOM 0 H TRP A 119 -7.318 15.613 -8.085 1.00 1.00 H new ATOM 0 HA TRP A 119 -8.848 13.491 -9.162 1.00 1.00 H new ATOM 0 HB2 TRP A 119 -5.863 14.072 -9.434 1.00 1.00 H new ATOM 0 HB3 TRP A 119 -6.829 13.112 -10.537 1.00 1.00 H new ATOM 0 HD1 TRP A 119 -9.151 15.578 -10.664 1.00 1.00 H new ATOM 0 HE1 TRP A 119 -8.635 17.568 -12.222 1.00 1.00 H new ATOM 0 HE3 TRP A 119 -4.113 14.855 -11.269 1.00 1.00 H new ATOM 0 HZ2 TRP A 119 -6.333 18.701 -13.525 1.00 1.00 H new ATOM 0 HZ3 TRP A 119 -2.804 16.366 -12.733 1.00 1.00 H new ATOM 0 HH2 TRP A 119 -3.894 18.304 -13.836 1.00 1.00 H new ATOM 675 N ALA A 120 -6.939 12.608 -6.729 1.00 1.00 N ATOM 676 CA ALA A 120 -6.313 11.532 -5.986 1.00 1.00 C ATOM 677 C ALA A 120 -7.263 10.392 -5.573 1.00 1.00 C ATOM 678 O ALA A 120 -8.496 10.468 -5.601 1.00 1.00 O ATOM 679 CB ALA A 120 -5.565 12.082 -4.763 1.00 1.00 C ATOM 0 H ALA A 120 -7.022 13.477 -6.201 1.00 1.00 H new ATOM 0 HA ALA A 120 -5.606 11.078 -6.681 1.00 1.00 H new ATOM 0 HB1 ALA A 120 -5.102 11.259 -4.219 1.00 1.00 H new ATOM 0 HB2 ALA A 120 -4.794 12.779 -5.091 1.00 1.00 H new ATOM 0 HB3 ALA A 120 -6.267 12.600 -4.109 1.00 1.00 H new ATOM 685 N THR A 121 -6.595 9.350 -5.107 1.00 1.00 N ATOM 686 CA THR A 121 -7.078 8.036 -4.668 1.00 1.00 C ATOM 687 C THR A 121 -6.224 7.600 -3.486 1.00 1.00 C ATOM 688 O THR A 121 -5.020 7.818 -3.500 1.00 1.00 O ATOM 689 CB THR A 121 -6.883 7.031 -5.810 1.00 1.00 C ATOM 690 OG1 THR A 121 -7.556 7.438 -6.987 1.00 1.00 O ATOM 691 CG2 THR A 121 -7.412 5.656 -5.416 1.00 1.00 C ATOM 0 H THR A 121 -5.581 9.404 -5.014 1.00 1.00 H new ATOM 0 HA THR A 121 -8.131 8.084 -4.391 1.00 1.00 H new ATOM 0 HB THR A 121 -5.811 6.985 -6.004 1.00 1.00 H new ATOM 0 HG1 THR A 121 -7.409 6.775 -7.694 1.00 1.00 H new ATOM 0 HG21 THR A 121 -7.263 4.959 -6.241 1.00 1.00 H new ATOM 0 HG22 THR A 121 -6.876 5.298 -4.537 1.00 1.00 H new ATOM 0 HG23 THR A 121 -8.476 5.727 -5.188 1.00 1.00 H new ATOM 699 N LEU A 122 -6.808 6.952 -2.483 1.00 1.00 N ATOM 700 CA LEU A 122 -6.124 6.570 -1.242 1.00 1.00 C ATOM 701 C LEU A 122 -5.881 5.055 -1.234 1.00 1.00 C ATOM 702 O LEU A 122 -6.814 4.261 -1.364 1.00 1.00 O ATOM 703 CB LEU A 122 -6.957 7.076 -0.050 1.00 1.00 C ATOM 704 CG LEU A 122 -6.147 7.294 1.244 1.00 1.00 C ATOM 705 CD1 LEU A 122 -7.058 7.899 2.309 1.00 1.00 C ATOM 706 CD2 LEU A 122 -5.536 6.015 1.817 1.00 1.00 C ATOM 0 H LEU A 122 -7.788 6.670 -2.506 1.00 1.00 H new ATOM 0 HA LEU A 122 -5.140 7.032 -1.165 1.00 1.00 H new ATOM 0 HB2 LEU A 122 -7.434 8.015 -0.328 1.00 1.00 H new ATOM 0 HB3 LEU A 122 -7.754 6.360 0.151 1.00 1.00 H new ATOM 0 HG LEU A 122 -5.324 7.957 0.978 1.00 1.00 H new ATOM 0 HD11 LEU A 122 -6.491 8.056 3.227 1.00 1.00 H new ATOM 0 HD12 LEU A 122 -7.447 8.854 1.955 1.00 1.00 H new ATOM 0 HD13 LEU A 122 -7.888 7.220 2.507 1.00 1.00 H new ATOM 0 HD21 LEU A 122 -4.982 6.252 2.726 1.00 1.00 H new ATOM 0 HD22 LEU A 122 -6.330 5.305 2.050 1.00 1.00 H new ATOM 0 HD23 LEU A 122 -4.860 5.575 1.084 1.00 1.00 H new ATOM 718 N LEU A 123 -4.610 4.676 -1.092 1.00 1.00 N ATOM 719 CA LEU A 123 -4.095 3.314 -1.195 1.00 1.00 C ATOM 720 C LEU A 123 -3.404 2.889 0.111 1.00 1.00 C ATOM 721 O LEU A 123 -2.502 3.559 0.617 1.00 1.00 O ATOM 722 CB LEU A 123 -3.136 3.244 -2.400 1.00 1.00 C ATOM 723 CG LEU A 123 -3.771 3.597 -3.754 1.00 1.00 C ATOM 724 CD1 LEU A 123 -2.704 3.438 -4.833 1.00 1.00 C ATOM 725 CD2 LEU A 123 -4.949 2.690 -4.115 1.00 1.00 C ATOM 0 H LEU A 123 -3.872 5.351 -0.891 1.00 1.00 H new ATOM 0 HA LEU A 123 -4.917 2.615 -1.353 1.00 1.00 H new ATOM 0 HB2 LEU A 123 -2.300 3.920 -2.220 1.00 1.00 H new ATOM 0 HB3 LEU A 123 -2.724 2.237 -2.460 1.00 1.00 H new ATOM 0 HG LEU A 123 -4.148 4.617 -3.686 1.00 1.00 H new ATOM 0 HD11 LEU A 123 -3.131 3.683 -5.806 1.00 1.00 H new ATOM 0 HD12 LEU A 123 -1.871 4.109 -4.623 1.00 1.00 H new ATOM 0 HD13 LEU A 123 -2.347 2.408 -4.843 1.00 1.00 H new ATOM 0 HD21 LEU A 123 -5.355 2.989 -5.081 1.00 1.00 H new ATOM 0 HD22 LEU A 123 -4.609 1.656 -4.168 1.00 1.00 H new ATOM 0 HD23 LEU A 123 -5.723 2.779 -3.353 1.00 1.00 H new ATOM 737 N GLY A 124 -3.843 1.747 0.644 1.00 1.00 N ATOM 738 CA GLY A 124 -3.420 1.232 1.956 1.00 1.00 C ATOM 739 C GLY A 124 -2.108 0.428 1.956 1.00 1.00 C ATOM 740 O GLY A 124 -1.524 0.215 3.022 1.00 1.00 O ATOM 0 H GLY A 124 -4.514 1.141 0.171 1.00 1.00 H new ATOM 0 HA2 GLY A 124 -3.311 2.074 2.640 1.00 1.00 H new ATOM 0 HA3 GLY A 124 -4.214 0.600 2.353 1.00 1.00 H new ATOM 744 N HIS A 125 -1.640 -0.009 0.777 1.00 1.00 N ATOM 745 CA HIS A 125 -0.410 -0.791 0.574 1.00 1.00 C ATOM 746 C HIS A 125 0.217 -0.489 -0.798 1.00 1.00 C ATOM 747 O HIS A 125 -0.446 -0.734 -1.833 1.00 1.00 O ATOM 748 CB HIS A 125 -0.726 -2.282 0.744 1.00 1.00 C ATOM 749 CG HIS A 125 0.454 -3.188 0.486 1.00 1.00 C ATOM 750 ND1 HIS A 125 0.817 -3.728 -0.736 1.00 1.00 N ATOM 751 CD2 HIS A 125 1.362 -3.614 1.415 1.00 1.00 C ATOM 752 CE1 HIS A 125 1.930 -4.470 -0.553 1.00 1.00 C ATOM 753 NE2 HIS A 125 2.275 -4.417 0.751 1.00 1.00 N ATOM 0 H HIS A 125 -2.129 0.181 -0.098 1.00 1.00 H new ATOM 0 HA HIS A 125 0.329 -0.506 1.323 1.00 1.00 H new ATOM 0 HB2 HIS A 125 -1.089 -2.454 1.757 1.00 1.00 H new ATOM 0 HB3 HIS A 125 -1.535 -2.552 0.065 1.00 1.00 H new ATOM 0 HD2 HIS A 125 1.367 -3.371 2.467 1.00 1.00 H new ATOM 0 HE1 HIS A 125 2.457 -5.015 -1.322 1.00 1.00 H new ATOM 0 HE2 HIS A 125 3.073 -4.889 1.176 1.00 1.00 H new TER 762 HIS A 125 ATOM 763 O5' DC B 1 -3.120 28.314 6.282 1.00 1.00 O ATOM 764 C5' DC B 1 -3.328 29.437 7.147 1.00 1.00 C ATOM 765 C4' DC B 1 -2.665 29.301 8.531 1.00 1.00 C ATOM 766 O4' DC B 1 -3.297 28.286 9.306 1.00 1.00 O ATOM 767 C3' DC B 1 -1.166 28.990 8.425 1.00 1.00 C ATOM 768 O3' DC B 1 -0.423 29.865 9.274 1.00 1.00 O ATOM 769 C2' DC B 1 -1.096 27.523 8.827 1.00 1.00 C ATOM 770 C1' DC B 1 -2.328 27.331 9.712 1.00 1.00 C ATOM 771 N1 DC B 1 -2.915 25.974 9.623 1.00 1.00 N ATOM 772 C2 DC B 1 -3.219 25.247 10.778 1.00 1.00 C ATOM 773 O2 DC B 1 -2.965 25.676 11.906 1.00 1.00 O ATOM 774 N3 DC B 1 -3.820 24.032 10.695 1.00 1.00 N ATOM 775 C4 DC B 1 -4.065 23.538 9.496 1.00 1.00 C ATOM 776 N4 DC B 1 -4.667 22.381 9.479 1.00 1.00 N ATOM 777 C5 DC B 1 -3.763 24.226 8.287 1.00 1.00 C ATOM 778 C6 DC B 1 -3.197 25.448 8.398 1.00 1.00 C ATOM 0 H5' DC B 1 -4.400 29.583 7.283 1.00 1.00 H new ATOM 0 H5'' DC B 1 -2.944 30.333 6.659 1.00 1.00 H new ATOM 0 H4' DC B 1 -2.785 30.265 9.025 1.00 1.00 H new ATOM 0 H3' DC B 1 -0.730 29.147 7.439 1.00 1.00 H new ATOM 0 H2' DC B 1 -1.122 26.868 7.957 1.00 1.00 H new ATOM 0 H2'' DC B 1 -0.176 27.299 9.367 1.00 1.00 H new ATOM 0 HO5' DC B 1 -3.570 28.472 5.426 1.00 1.00 H new ATOM 0 H1' DC B 1 -2.022 27.463 10.750 1.00 1.00 H new ATOM 0 H41 DC B 1 -4.890 21.935 8.589 1.00 1.00 H new ATOM 0 H42 DC B 1 -4.915 21.922 10.356 1.00 1.00 H new ATOM 0 H5 DC B 1 -3.977 23.790 7.322 1.00 1.00 H new ATOM 0 H6 DC B 1 -2.966 26.013 7.507 1.00 1.00 H new ATOM 791 P DG B 2 1.199 29.856 9.349 1.00 1.00 P ATOM 792 OP1 DG B 2 1.641 31.215 9.776 1.00 1.00 O ATOM 793 OP2 DG B 2 1.737 29.312 8.072 1.00 1.00 O ATOM 794 O5' DG B 2 1.548 28.800 10.540 1.00 1.00 O ATOM 795 C5' DG B 2 1.281 29.107 11.909 1.00 1.00 C ATOM 796 C4' DG B 2 1.764 28.037 12.910 1.00 1.00 C ATOM 797 O4' DG B 2 0.867 26.925 12.946 1.00 1.00 O ATOM 798 C3' DG B 2 3.182 27.510 12.617 1.00 1.00 C ATOM 799 O3' DG B 2 3.953 27.472 13.819 1.00 1.00 O ATOM 800 C2' DG B 2 2.865 26.140 12.017 1.00 1.00 C ATOM 801 C1' DG B 2 1.613 25.727 12.787 1.00 1.00 C ATOM 802 N9 DG B 2 0.801 24.719 12.076 1.00 1.00 N ATOM 803 C8 DG B 2 0.438 24.728 10.759 1.00 1.00 C ATOM 804 N7 DG B 2 -0.345 23.746 10.399 1.00 1.00 N ATOM 805 C5 DG B 2 -0.485 23.002 11.580 1.00 1.00 C ATOM 806 C6 DG B 2 -1.210 21.789 11.863 1.00 1.00 C ATOM 807 O6 DG B 2 -1.947 21.127 11.132 1.00 1.00 O ATOM 808 N1 DG B 2 -1.036 21.329 13.149 1.00 1.00 N ATOM 809 C2 DG B 2 -0.298 21.972 14.082 1.00 1.00 C ATOM 810 N2 DG B 2 -0.242 21.413 15.261 1.00 1.00 N ATOM 811 N3 DG B 2 0.364 23.110 13.886 1.00 1.00 N ATOM 812 C4 DG B 2 0.236 23.579 12.606 1.00 1.00 C ATOM 0 H5' DG B 2 0.207 29.245 12.034 1.00 1.00 H new ATOM 0 H5'' DG B 2 1.756 30.057 12.155 1.00 1.00 H new ATOM 0 H4' DG B 2 1.788 28.543 13.875 1.00 1.00 H new ATOM 0 H3' DG B 2 3.795 28.116 11.950 1.00 1.00 H new ATOM 0 H2' DG B 2 2.681 26.199 10.944 1.00 1.00 H new ATOM 0 H2'' DG B 2 3.683 25.434 12.162 1.00 1.00 H new ATOM 0 H1' DG B 2 1.889 25.260 13.732 1.00 1.00 H new ATOM 0 H8 DG B 2 0.772 25.488 10.069 1.00 1.00 H new ATOM 0 H1 DG B 2 -1.489 20.454 13.413 1.00 1.00 H new ATOM 0 H21 DG B 2 0.299 21.850 16.007 1.00 1.00 H new ATOM 0 H22 DG B 2 -0.739 20.540 15.435 1.00 1.00 H new ATOM 824 P DC B 3 5.509 27.000 13.857 1.00 1.00 P ATOM 825 OP1 DC B 3 6.198 27.786 14.923 1.00 1.00 O ATOM 826 OP2 DC B 3 6.073 27.037 12.478 1.00 1.00 O ATOM 827 O5' DC B 3 5.416 25.452 14.330 1.00 1.00 O ATOM 828 C5' DC B 3 4.985 25.122 15.650 1.00 1.00 C ATOM 829 C4' DC B 3 4.845 23.612 15.907 1.00 1.00 C ATOM 830 O4' DC B 3 3.770 23.094 15.136 1.00 1.00 O ATOM 831 C3' DC B 3 6.119 22.800 15.605 1.00 1.00 C ATOM 832 O3' DC B 3 6.645 22.245 16.812 1.00 1.00 O ATOM 833 C2' DC B 3 5.644 21.735 14.610 1.00 1.00 C ATOM 834 C1' DC B 3 4.121 21.812 14.659 1.00 1.00 C ATOM 835 N1 DC B 3 3.503 21.612 13.326 1.00 1.00 N ATOM 836 C2 DC B 3 2.650 20.525 13.106 1.00 1.00 C ATOM 837 O2 DC B 3 2.434 19.673 13.966 1.00 1.00 O ATOM 838 N3 DC B 3 2.023 20.371 11.915 1.00 1.00 N ATOM 839 C4 DC B 3 2.269 21.248 10.966 1.00 1.00 C ATOM 840 N4 DC B 3 1.621 21.055 9.853 1.00 1.00 N ATOM 841 C5 DC B 3 3.146 22.361 11.117 1.00 1.00 C ATOM 842 C6 DC B 3 3.750 22.508 12.322 1.00 1.00 C ATOM 0 H5' DC B 3 4.024 25.602 15.837 1.00 1.00 H new ATOM 0 H5'' DC B 3 5.694 25.537 16.366 1.00 1.00 H new ATOM 0 H4' DC B 3 4.655 23.506 16.975 1.00 1.00 H new ATOM 0 H3' DC B 3 6.935 23.391 15.189 1.00 1.00 H new ATOM 0 H2' DC B 3 6.019 21.936 13.606 1.00 1.00 H new ATOM 0 H2'' DC B 3 6.000 20.744 14.891 1.00 1.00 H new ATOM 0 H1' DC B 3 3.755 21.018 15.311 1.00 1.00 H new ATOM 0 H41 DC B 3 1.756 21.691 9.067 1.00 1.00 H new ATOM 0 H42 DC B 3 0.979 20.267 9.767 1.00 1.00 H new ATOM 0 H5 DC B 3 3.321 23.056 10.309 1.00 1.00 H new ATOM 0 H6 DC B 3 4.427 23.333 12.489 1.00 1.00 H new ATOM 854 P DA B 4 8.091 21.496 16.886 1.00 1.00 P ATOM 855 OP1 DA B 4 8.515 21.470 18.313 1.00 1.00 O ATOM 856 OP2 DA B 4 9.009 22.119 15.892 1.00 1.00 O ATOM 857 O5' DA B 4 7.790 19.970 16.413 1.00 1.00 O ATOM 858 C5' DA B 4 6.941 19.121 17.185 1.00 1.00 C ATOM 859 C4' DA B 4 6.586 17.796 16.489 1.00 1.00 C ATOM 860 O4' DA B 4 5.648 17.990 15.434 1.00 1.00 O ATOM 861 C3' DA B 4 7.806 17.040 15.927 1.00 1.00 C ATOM 862 O3' DA B 4 7.891 15.742 16.514 1.00 1.00 O ATOM 863 C2' DA B 4 7.516 17.049 14.426 1.00 1.00 C ATOM 864 C1' DA B 4 5.994 17.112 14.380 1.00 1.00 C ATOM 865 N9 DA B 4 5.493 17.653 13.105 1.00 1.00 N ATOM 866 C8 DA B 4 5.898 18.805 12.492 1.00 1.00 C ATOM 867 N7 DA B 4 5.248 19.103 11.400 1.00 1.00 N ATOM 868 C5 DA B 4 4.374 18.012 11.265 1.00 1.00 C ATOM 869 C6 DA B 4 3.401 17.620 10.311 1.00 1.00 C ATOM 870 N6 DA B 4 3.070 18.330 9.253 1.00 1.00 N ATOM 871 N1 DA B 4 2.755 16.456 10.408 1.00 1.00 N ATOM 872 C2 DA B 4 3.028 15.681 11.450 1.00 1.00 C ATOM 873 N3 DA B 4 3.889 15.915 12.434 1.00 1.00 N ATOM 874 C4 DA B 4 4.536 17.108 12.283 1.00 1.00 C ATOM 0 H5' DA B 4 6.020 19.657 17.416 1.00 1.00 H new ATOM 0 H5'' DA B 4 7.429 18.902 18.135 1.00 1.00 H new ATOM 0 H4' DA B 4 6.147 17.184 17.277 1.00 1.00 H new ATOM 0 H3' DA B 4 8.781 17.477 16.145 1.00 1.00 H new ATOM 0 H2' DA B 4 7.972 17.906 13.930 1.00 1.00 H new ATOM 0 H2'' DA B 4 7.899 16.155 13.934 1.00 1.00 H new ATOM 0 H1' DA B 4 5.559 16.117 14.475 1.00 1.00 H new ATOM 0 H8 DA B 4 6.695 19.422 12.881 1.00 1.00 H new ATOM 0 H61 DA B 4 2.359 17.984 8.608 1.00 1.00 H new ATOM 0 H62 DA B 4 3.524 19.226 9.078 1.00 1.00 H new ATOM 0 H2 DA B 4 2.485 14.749 11.504 1.00 1.00 H new ATOM 886 P DT B 5 9.185 14.776 16.323 1.00 1.00 P ATOM 887 OP1 DT B 5 9.268 13.887 17.517 1.00 1.00 O ATOM 888 OP2 DT B 5 10.375 15.604 15.978 1.00 1.00 O ATOM 889 O5' DT B 5 8.803 13.873 15.034 1.00 1.00 O ATOM 890 C5' DT B 5 7.775 12.888 15.115 1.00 1.00 C ATOM 891 C4' DT B 5 7.399 12.293 13.749 1.00 1.00 C ATOM 892 O4' DT B 5 6.756 13.280 12.952 1.00 1.00 O ATOM 893 C3' DT B 5 8.600 11.731 12.962 1.00 1.00 C ATOM 894 O3' DT B 5 8.458 10.332 12.726 1.00 1.00 O ATOM 895 C2' DT B 5 8.572 12.555 11.675 1.00 1.00 C ATOM 896 C1' DT B 5 7.128 13.059 11.610 1.00 1.00 C ATOM 897 N1 DT B 5 6.939 14.307 10.819 1.00 1.00 N ATOM 898 C2 DT B 5 5.898 14.342 9.880 1.00 1.00 C ATOM 899 O2 DT B 5 5.104 13.418 9.698 1.00 1.00 O ATOM 900 N3 DT B 5 5.782 15.480 9.118 1.00 1.00 N ATOM 901 C4 DT B 5 6.574 16.599 9.227 1.00 1.00 C ATOM 902 O4 DT B 5 6.326 17.566 8.510 1.00 1.00 O ATOM 903 C5 DT B 5 7.643 16.501 10.219 1.00 1.00 C ATOM 904 C7 DT B 5 8.624 17.642 10.402 1.00 1.00 C ATOM 905 C6 DT B 5 7.785 15.386 10.978 1.00 1.00 C ATOM 0 H5' DT B 5 6.889 13.333 15.567 1.00 1.00 H new ATOM 0 H5'' DT B 5 8.101 12.085 15.777 1.00 1.00 H new ATOM 0 H4' DT B 5 6.732 11.457 13.961 1.00 1.00 H new ATOM 0 H3' DT B 5 9.551 11.813 13.489 1.00 1.00 H new ATOM 0 H2' DT B 5 9.284 13.379 11.710 1.00 1.00 H new ATOM 0 H2'' DT B 5 8.826 11.950 10.805 1.00 1.00 H new ATOM 0 H1' DT B 5 6.514 12.320 11.095 1.00 1.00 H new ATOM 0 H3 DT B 5 5.046 15.496 8.412 1.00 1.00 H new ATOM 0 H71 DT B 5 8.968 17.664 11.436 1.00 1.00 H new ATOM 0 H72 DT B 5 9.477 17.498 9.739 1.00 1.00 H new ATOM 0 H73 DT B 5 8.133 18.586 10.163 1.00 1.00 H new ATOM 0 H6 DT B 5 8.571 15.342 11.717 1.00 1.00 H new ATOM 918 P DA B 6 9.642 9.439 12.059 1.00 1.00 P ATOM 919 OP1 DA B 6 9.605 8.088 12.688 1.00 1.00 O ATOM 920 OP2 DA B 6 10.923 10.198 12.099 1.00 1.00 O ATOM 921 O5' DA B 6 9.189 9.299 10.505 1.00 1.00 O ATOM 922 C5' DA B 6 8.059 8.507 10.149 1.00 1.00 C ATOM 923 C4' DA B 6 7.796 8.410 8.636 1.00 1.00 C ATOM 924 O4' DA B 6 7.319 9.657 8.131 1.00 1.00 O ATOM 925 C3' DA B 6 9.020 7.978 7.815 1.00 1.00 C ATOM 926 O3' DA B 6 8.602 6.968 6.901 1.00 1.00 O ATOM 927 C2' DA B 6 9.463 9.303 7.196 1.00 1.00 C ATOM 928 C1' DA B 6 8.180 10.129 7.111 1.00 1.00 C ATOM 929 N9 DA B 6 8.410 11.579 7.298 1.00 1.00 N ATOM 930 C8 DA B 6 9.317 12.191 8.125 1.00 1.00 C ATOM 931 N7 DA B 6 9.367 13.493 8.019 1.00 1.00 N ATOM 932 C5 DA B 6 8.417 13.753 7.024 1.00 1.00 C ATOM 933 C6 DA B 6 7.966 14.920 6.361 1.00 1.00 C ATOM 934 N6 DA B 6 8.433 16.133 6.584 1.00 1.00 N ATOM 935 N1 DA B 6 7.022 14.861 5.424 1.00 1.00 N ATOM 936 C2 DA B 6 6.511 13.672 5.129 1.00 1.00 C ATOM 937 N3 DA B 6 6.834 12.496 5.657 1.00 1.00 N ATOM 938 C4 DA B 6 7.810 12.600 6.599 1.00 1.00 C ATOM 0 H5' DA B 6 7.174 8.922 10.632 1.00 1.00 H new ATOM 0 H5'' DA B 6 8.197 7.501 10.546 1.00 1.00 H new ATOM 0 H4' DA B 6 7.042 7.631 8.523 1.00 1.00 H new ATOM 0 H3' DA B 6 9.853 7.520 8.348 1.00 1.00 H new ATOM 0 H2' DA B 6 10.214 9.798 7.811 1.00 1.00 H new ATOM 0 H2'' DA B 6 9.906 9.153 6.211 1.00 1.00 H new ATOM 0 H1' DA B 6 7.753 10.012 6.115 1.00 1.00 H new ATOM 0 H8 DA B 6 9.942 11.639 8.811 1.00 1.00 H new ATOM 0 H61 DA B 6 8.057 16.927 6.066 1.00 1.00 H new ATOM 0 H62 DA B 6 9.170 16.277 7.275 1.00 1.00 H new ATOM 0 H2 DA B 6 5.742 13.659 4.371 1.00 1.00 H new ATOM 950 P DT B 7 9.523 6.397 5.692 1.00 1.00 P ATOM 951 OP1 DT B 7 9.054 5.022 5.362 1.00 1.00 O ATOM 952 OP2 DT B 7 10.965 6.604 6.011 1.00 1.00 O ATOM 953 O5' DT B 7 9.100 7.390 4.486 1.00 1.00 O ATOM 954 C5' DT B 7 7.736 7.485 4.096 1.00 1.00 C ATOM 955 C4' DT B 7 7.452 8.620 3.105 1.00 1.00 C ATOM 956 O4' DT B 7 7.752 9.883 3.677 1.00 1.00 O ATOM 957 C3' DT B 7 8.232 8.479 1.788 1.00 1.00 C ATOM 958 O3' DT B 7 7.329 8.664 0.705 1.00 1.00 O ATOM 959 C2' DT B 7 9.234 9.618 1.901 1.00 1.00 C ATOM 960 C1' DT B 7 8.414 10.640 2.681 1.00 1.00 C ATOM 961 N1 DT B 7 9.245 11.694 3.306 1.00 1.00 N ATOM 962 C2 DT B 7 9.005 13.028 2.962 1.00 1.00 C ATOM 963 O2 DT B 7 8.200 13.393 2.106 1.00 1.00 O ATOM 964 N3 DT B 7 9.744 13.975 3.625 1.00 1.00 N ATOM 965 C4 DT B 7 10.738 13.729 4.536 1.00 1.00 C ATOM 966 O4 DT B 7 11.318 14.697 5.024 1.00 1.00 O ATOM 967 C5 DT B 7 10.984 12.312 4.810 1.00 1.00 C ATOM 968 C7 DT B 7 12.079 11.904 5.778 1.00 1.00 C ATOM 969 C6 DT B 7 10.241 11.353 4.196 1.00 1.00 C ATOM 0 H5' DT B 7 7.123 7.630 4.986 1.00 1.00 H new ATOM 0 H5'' DT B 7 7.429 6.540 3.649 1.00 1.00 H new ATOM 0 H4' DT B 7 6.388 8.551 2.878 1.00 1.00 H new ATOM 0 H3' DT B 7 8.712 7.515 1.620 1.00 1.00 H new ATOM 0 H2' DT B 7 10.139 9.322 2.432 1.00 1.00 H new ATOM 0 H2'' DT B 7 9.545 9.994 0.926 1.00 1.00 H new ATOM 0 H1' DT B 7 7.732 11.172 2.018 1.00 1.00 H new ATOM 0 H3 DT B 7 9.534 14.952 3.421 1.00 1.00 H new ATOM 0 H71 DT B 7 11.806 10.966 6.262 1.00 1.00 H new ATOM 0 H72 DT B 7 13.015 11.773 5.235 1.00 1.00 H new ATOM 0 H73 DT B 7 12.204 12.679 6.534 1.00 1.00 H new ATOM 0 H6 DT B 7 10.433 10.312 4.408 1.00 1.00 H new ATOM 982 P DA B 8 7.564 8.010 -0.746 1.00 1.00 P ATOM 983 OP1 DA B 8 6.260 8.051 -1.457 1.00 1.00 O ATOM 984 OP2 DA B 8 8.210 6.683 -0.562 1.00 1.00 O ATOM 985 O5' DA B 8 8.589 9.018 -1.469 1.00 1.00 O ATOM 986 C5' DA B 8 8.099 10.176 -2.130 1.00 1.00 C ATOM 987 C4' DA B 8 9.191 11.166 -2.568 1.00 1.00 C ATOM 988 O4' DA B 8 9.580 11.979 -1.473 1.00 1.00 O ATOM 989 C3' DA B 8 10.463 10.535 -3.170 1.00 1.00 C ATOM 990 O3' DA B 8 10.538 10.814 -4.567 1.00 1.00 O ATOM 991 C2' DA B 8 11.578 11.190 -2.348 1.00 1.00 C ATOM 992 C1' DA B 8 10.902 12.400 -1.721 1.00 1.00 C ATOM 993 N9 DA B 8 11.504 12.839 -0.441 1.00 1.00 N ATOM 994 C8 DA B 8 11.775 12.114 0.698 1.00 1.00 C ATOM 995 N7 DA B 8 12.262 12.820 1.688 1.00 1.00 N ATOM 996 C5 DA B 8 12.316 14.115 1.151 1.00 1.00 C ATOM 997 C6 DA B 8 12.715 15.393 1.623 1.00 1.00 C ATOM 998 N6 DA B 8 13.120 15.684 2.845 1.00 1.00 N ATOM 999 N1 DA B 8 12.638 16.469 0.842 1.00 1.00 N ATOM 1000 C2 DA B 8 12.176 16.314 -0.382 1.00 1.00 C ATOM 1001 N3 DA B 8 11.763 15.205 -0.972 1.00 1.00 N ATOM 1002 C4 DA B 8 11.862 14.129 -0.144 1.00 1.00 C ATOM 0 H5' DA B 8 7.403 10.691 -1.467 1.00 1.00 H new ATOM 0 H5'' DA B 8 7.533 9.866 -3.008 1.00 1.00 H new ATOM 0 H4' DA B 8 8.725 11.741 -3.368 1.00 1.00 H new ATOM 0 H3' DA B 8 10.510 9.447 -3.115 1.00 1.00 H new ATOM 0 H2' DA B 8 11.967 10.511 -1.589 1.00 1.00 H new ATOM 0 H2'' DA B 8 12.419 11.482 -2.976 1.00 1.00 H new ATOM 0 H1' DA B 8 10.995 13.253 -2.393 1.00 1.00 H new ATOM 0 H8 DA B 8 11.600 11.051 0.769 1.00 1.00 H new ATOM 0 H61 DA B 8 13.385 16.640 3.080 1.00 1.00 H new ATOM 0 H62 DA B 8 13.168 14.952 3.554 1.00 1.00 H new ATOM 0 H2 DA B 8 12.128 17.210 -0.982 1.00 1.00 H new ATOM 1014 P DT B 9 11.789 10.336 -5.501 1.00 1.00 P ATOM 1015 OP1 DT B 9 11.223 9.836 -6.783 1.00 1.00 O ATOM 1016 OP2 DT B 9 12.719 9.459 -4.737 1.00 1.00 O ATOM 1017 O5' DT B 9 12.510 11.756 -5.776 1.00 1.00 O ATOM 1018 C5' DT B 9 11.791 12.793 -6.434 1.00 1.00 C ATOM 1019 C4' DT B 9 12.558 14.113 -6.594 1.00 1.00 C ATOM 1020 O4' DT B 9 12.729 14.728 -5.326 1.00 1.00 O ATOM 1021 C3' DT B 9 13.925 13.931 -7.261 1.00 1.00 C ATOM 1022 O3' DT B 9 14.083 14.905 -8.290 1.00 1.00 O ATOM 1023 C2' DT B 9 14.873 14.082 -6.076 1.00 1.00 C ATOM 1024 C1' DT B 9 14.097 14.992 -5.121 1.00 1.00 C ATOM 1025 N1 DT B 9 14.425 14.781 -3.686 1.00 1.00 N ATOM 1026 C2 DT B 9 14.711 15.910 -2.905 1.00 1.00 C ATOM 1027 O2 DT B 9 14.659 17.071 -3.321 1.00 1.00 O ATOM 1028 N3 DT B 9 15.068 15.684 -1.597 1.00 1.00 N ATOM 1029 C4 DT B 9 15.139 14.453 -0.988 1.00 1.00 C ATOM 1030 O4 DT B 9 15.410 14.403 0.209 1.00 1.00 O ATOM 1031 C5 DT B 9 14.838 13.315 -1.854 1.00 1.00 C ATOM 1032 C7 DT B 9 14.938 11.902 -1.309 1.00 1.00 C ATOM 1033 C6 DT B 9 14.476 13.509 -3.148 1.00 1.00 C ATOM 0 H5' DT B 9 10.874 12.988 -5.878 1.00 1.00 H new ATOM 0 H5'' DT B 9 11.496 12.440 -7.422 1.00 1.00 H new ATOM 0 H4' DT B 9 11.961 14.748 -7.248 1.00 1.00 H new ATOM 0 H3' DT B 9 14.093 12.985 -7.776 1.00 1.00 H new ATOM 0 H2' DT B 9 15.102 13.120 -5.618 1.00 1.00 H new ATOM 0 H2'' DT B 9 15.822 14.527 -6.374 1.00 1.00 H new ATOM 0 H1' DT B 9 14.369 16.025 -5.339 1.00 1.00 H new ATOM 0 H3 DT B 9 15.300 16.499 -1.029 1.00 1.00 H new ATOM 0 H71 DT B 9 15.700 11.865 -0.530 1.00 1.00 H new ATOM 0 H72 DT B 9 13.977 11.605 -0.890 1.00 1.00 H new ATOM 0 H73 DT B 9 15.210 11.220 -2.114 1.00 1.00 H new ATOM 0 H6 DT B 9 14.225 12.659 -3.765 1.00 1.00 H new ATOM 1046 P DG B 10 15.434 15.045 -9.177 1.00 1.00 P ATOM 1047 OP1 DG B 10 15.056 15.617 -10.498 1.00 1.00 O ATOM 1048 OP2 DG B 10 16.192 13.763 -9.147 1.00 1.00 O ATOM 1049 O5' DG B 10 16.272 16.167 -8.366 1.00 1.00 O ATOM 1050 C5' DG B 10 15.794 17.506 -8.281 1.00 1.00 C ATOM 1051 C4' DG B 10 16.748 18.463 -7.543 1.00 1.00 C ATOM 1052 O4' DG B 10 16.713 18.216 -6.138 1.00 1.00 O ATOM 1053 C3' DG B 10 18.204 18.356 -8.032 1.00 1.00 C ATOM 1054 O3' DG B 10 18.751 19.659 -8.237 1.00 1.00 O ATOM 1055 C2' DG B 10 18.839 17.571 -6.886 1.00 1.00 C ATOM 1056 C1' DG B 10 18.048 18.066 -5.680 1.00 1.00 C ATOM 1057 N9 DG B 10 18.091 17.135 -4.534 1.00 1.00 N ATOM 1058 C8 DG B 10 17.910 15.780 -4.557 1.00 1.00 C ATOM 1059 N7 DG B 10 17.958 15.204 -3.384 1.00 1.00 N ATOM 1060 C5 DG B 10 18.242 16.273 -2.517 1.00 1.00 C ATOM 1061 C6 DG B 10 18.456 16.313 -1.091 1.00 1.00 C ATOM 1062 O6 DG B 10 18.360 15.404 -0.264 1.00 1.00 O ATOM 1063 N1 DG B 10 18.826 17.554 -0.624 1.00 1.00 N ATOM 1064 C2 DG B 10 18.928 18.649 -1.411 1.00 1.00 C ATOM 1065 N2 DG B 10 19.304 19.751 -0.820 1.00 1.00 N ATOM 1066 N3 DG B 10 18.690 18.683 -2.721 1.00 1.00 N ATOM 1067 C4 DG B 10 18.357 17.454 -3.222 1.00 1.00 C ATOM 0 H5' DG B 10 14.830 17.506 -7.772 1.00 1.00 H new ATOM 0 H5'' DG B 10 15.623 17.885 -9.289 1.00 1.00 H new ATOM 0 H4' DG B 10 16.396 19.471 -7.762 1.00 1.00 H new ATOM 0 H3' DG B 10 18.357 17.868 -8.995 1.00 1.00 H new ATOM 0 H2' DG B 10 18.739 16.495 -7.025 1.00 1.00 H new ATOM 0 H2'' DG B 10 19.904 17.782 -6.789 1.00 1.00 H new ATOM 0 H1' DG B 10 18.478 18.997 -5.310 1.00 1.00 H new ATOM 0 H8 DG B 10 17.741 15.230 -5.471 1.00 1.00 H new ATOM 0 H1 DG B 10 19.035 17.653 0.370 1.00 1.00 H new ATOM 0 H21 DG B 10 19.400 20.612 -1.359 1.00 1.00 H new ATOM 0 H22 DG B 10 19.502 19.751 0.181 1.00 1.00 H new ATOM 1079 P DC B 11 20.241 19.911 -8.842 1.00 1.00 P ATOM 1080 OP1 DC B 11 20.149 21.027 -9.828 1.00 1.00 O ATOM 1081 OP2 DC B 11 20.829 18.617 -9.291 1.00 1.00 O ATOM 1082 O5' DC B 11 21.076 20.427 -7.548 1.00 1.00 O ATOM 1083 C5' DC B 11 20.745 21.664 -6.915 1.00 1.00 C ATOM 1084 C4' DC B 11 21.651 22.035 -5.726 1.00 1.00 C ATOM 1085 O4' DC B 11 21.408 21.164 -4.624 1.00 1.00 O ATOM 1086 C3' DC B 11 23.151 22.000 -6.076 1.00 1.00 C ATOM 1087 O3' DC B 11 23.804 23.161 -5.559 1.00 1.00 O ATOM 1088 C2' DC B 11 23.589 20.682 -5.433 1.00 1.00 C ATOM 1089 C1' DC B 11 22.622 20.527 -4.255 1.00 1.00 C ATOM 1090 N1 DC B 11 22.338 19.128 -3.845 1.00 1.00 N ATOM 1091 C2 DC B 11 22.391 18.771 -2.490 1.00 1.00 C ATOM 1092 O2 DC B 11 22.745 19.561 -1.613 1.00 1.00 O ATOM 1093 N3 DC B 11 22.062 17.520 -2.088 1.00 1.00 N ATOM 1094 C4 DC B 11 21.689 16.653 -3.004 1.00 1.00 C ATOM 1095 N4 DC B 11 21.325 15.484 -2.560 1.00 1.00 N ATOM 1096 C5 DC B 11 21.643 16.939 -4.396 1.00 1.00 C ATOM 1097 C6 DC B 11 21.969 18.199 -4.776 1.00 1.00 C ATOM 0 H5' DC B 11 19.713 21.615 -6.568 1.00 1.00 H new ATOM 0 H5'' DC B 11 20.795 22.462 -7.656 1.00 1.00 H new ATOM 0 H4' DC B 11 21.399 23.062 -5.461 1.00 1.00 H new ATOM 0 H3' DC B 11 23.394 22.027 -7.138 1.00 1.00 H new ATOM 0 H2' DC B 11 23.510 19.848 -6.131 1.00 1.00 H new ATOM 0 H2'' DC B 11 24.626 20.722 -5.100 1.00 1.00 H new ATOM 0 H1' DC B 11 23.101 20.979 -3.387 1.00 1.00 H new ATOM 0 H41 DC B 11 21.023 14.762 -3.214 1.00 1.00 H new ATOM 0 H42 DC B 11 21.342 15.291 -1.559 1.00 1.00 H new ATOM 0 H5 DC B 11 21.361 16.187 -5.118 1.00 1.00 H new ATOM 0 H6 DC B 11 21.937 18.470 -5.821 1.00 1.00 H new ATOM 1109 P DG B 12 25.331 23.559 -5.957 1.00 1.00 P ATOM 1110 OP1 DG B 12 25.527 25.003 -5.647 1.00 1.00 O ATOM 1111 OP2 DG B 12 25.612 23.090 -7.344 1.00 1.00 O ATOM 1112 O5' DG B 12 26.241 22.689 -4.935 1.00 1.00 O ATOM 1113 C5' DG B 12 26.291 23.000 -3.545 1.00 1.00 C ATOM 1114 C4' DG B 12 26.851 21.857 -2.682 1.00 1.00 C ATOM 1115 O4' DG B 12 25.954 20.762 -2.632 1.00 1.00 O ATOM 1116 C3' DG B 12 28.203 21.289 -3.146 1.00 1.00 C ATOM 1117 O3' DG B 12 29.309 21.919 -2.497 1.00 1.00 O ATOM 1118 C2' DG B 12 28.115 19.812 -2.763 1.00 1.00 C ATOM 1119 C1' DG B 12 26.699 19.643 -2.201 1.00 1.00 C ATOM 1120 N9 DG B 12 26.056 18.400 -2.657 1.00 1.00 N ATOM 1121 C8 DG B 12 25.786 18.024 -3.943 1.00 1.00 C ATOM 1122 N7 DG B 12 25.252 16.834 -4.057 1.00 1.00 N ATOM 1123 C5 DG B 12 25.176 16.382 -2.728 1.00 1.00 C ATOM 1124 C6 DG B 12 24.701 15.147 -2.152 1.00 1.00 C ATOM 1125 O6 DG B 12 24.222 14.149 -2.698 1.00 1.00 O ATOM 1126 N1 DG B 12 24.821 15.102 -0.781 1.00 1.00 N ATOM 1127 C2 DG B 12 25.357 16.093 -0.032 1.00 1.00 C ATOM 1128 N2 DG B 12 25.466 15.874 1.250 1.00 1.00 N ATOM 1129 N3 DG B 12 25.803 17.250 -0.509 1.00 1.00 N ATOM 1130 C4 DG B 12 25.678 17.340 -1.869 1.00 1.00 C ATOM 0 H5' DG B 12 25.287 23.248 -3.200 1.00 1.00 H new ATOM 0 H5'' DG B 12 26.906 23.888 -3.401 1.00 1.00 H new ATOM 0 H4' DG B 12 26.990 22.327 -1.708 1.00 1.00 H new ATOM 0 H3' DG B 12 28.375 21.454 -4.210 1.00 1.00 H new ATOM 0 H2' DG B 12 28.278 19.168 -3.627 1.00 1.00 H new ATOM 0 H2'' DG B 12 28.870 19.549 -2.022 1.00 1.00 H new ATOM 0 HO3' DG B 12 30.146 21.526 -2.821 1.00 1.00 H new ATOM 0 H1' DG B 12 26.744 19.578 -1.114 1.00 1.00 H new ATOM 0 H8 DG B 12 25.996 18.655 -4.794 1.00 1.00 H new ATOM 0 H1 DG B 12 24.484 14.268 -0.299 1.00 1.00 H new ATOM 0 H21 DG B 12 25.864 16.590 1.858 1.00 1.00 H new ATOM 0 H22 DG B 12 25.153 14.987 1.644 1.00 1.00 H new TER 1143 DG B 12 ATOM 1144 O5' DC C 13 22.708 7.928 4.775 1.00 1.00 O ATOM 1145 C5' DC C 13 24.039 8.052 5.288 1.00 1.00 C ATOM 1146 C4' DC C 13 24.539 9.506 5.401 1.00 1.00 C ATOM 1147 O4' DC C 13 24.675 10.100 4.109 1.00 1.00 O ATOM 1148 C3' DC C 13 23.592 10.373 6.240 1.00 1.00 C ATOM 1149 O3' DC C 13 24.326 11.175 7.167 1.00 1.00 O ATOM 1150 C2' DC C 13 22.870 11.189 5.170 1.00 1.00 C ATOM 1151 C1' DC C 13 23.957 11.324 4.100 1.00 1.00 C ATOM 1152 N1 DC C 13 23.485 11.630 2.726 1.00 1.00 N ATOM 1153 C2 DC C 13 24.111 12.635 1.975 1.00 1.00 C ATOM 1154 O2 DC C 13 24.980 13.371 2.450 1.00 1.00 O ATOM 1155 N3 DC C 13 23.789 12.831 0.672 1.00 1.00 N ATOM 1156 C4 DC C 13 22.839 12.089 0.143 1.00 1.00 C ATOM 1157 N4 DC C 13 22.602 12.287 -1.125 1.00 1.00 N ATOM 1158 C5 DC C 13 22.149 11.072 0.861 1.00 1.00 C ATOM 1159 C6 DC C 13 22.507 10.872 2.150 1.00 1.00 C ATOM 0 H5' DC C 13 24.718 7.495 4.643 1.00 1.00 H new ATOM 0 H5'' DC C 13 24.082 7.587 6.273 1.00 1.00 H new ATOM 0 H4' DC C 13 25.510 9.462 5.895 1.00 1.00 H new ATOM 0 H3' DC C 13 22.899 9.815 6.870 1.00 1.00 H new ATOM 0 H2' DC C 13 21.985 10.677 4.792 1.00 1.00 H new ATOM 0 H2'' DC C 13 22.542 12.158 5.546 1.00 1.00 H new ATOM 0 HO5' DC C 13 22.462 6.981 4.730 1.00 1.00 H new ATOM 0 H1' DC C 13 24.565 12.192 4.357 1.00 1.00 H new ATOM 0 H41 DC C 13 21.879 11.746 -1.599 1.00 1.00 H new ATOM 0 H42 DC C 13 23.140 12.983 -1.642 1.00 1.00 H new ATOM 0 H5 DC C 13 21.372 10.484 0.396 1.00 1.00 H new ATOM 0 H6 DC C 13 22.014 10.105 2.729 1.00 1.00 H new ATOM 1172 P DG C 14 23.607 12.067 8.320 1.00 1.00 P ATOM 1173 OP1 DG C 14 24.439 11.964 9.554 1.00 1.00 O ATOM 1174 OP2 DG C 14 22.172 11.679 8.409 1.00 1.00 O ATOM 1175 O5' DG C 14 23.677 13.596 7.767 1.00 1.00 O ATOM 1176 C5' DG C 14 24.896 14.342 7.785 1.00 1.00 C ATOM 1177 C4' DG C 14 24.752 15.840 7.443 1.00 1.00 C ATOM 1178 O4' DG C 14 24.608 16.036 6.038 1.00 1.00 O ATOM 1179 C3' DG C 14 23.566 16.516 8.156 1.00 1.00 C ATOM 1180 O3' DG C 14 23.958 17.807 8.628 1.00 1.00 O ATOM 1181 C2' DG C 14 22.520 16.528 7.036 1.00 1.00 C ATOM 1182 C1' DG C 14 23.364 16.674 5.773 1.00 1.00 C ATOM 1183 N9 DG C 14 22.752 16.049 4.584 1.00 1.00 N ATOM 1184 C8 DG C 14 22.125 14.838 4.510 1.00 1.00 C ATOM 1185 N7 DG C 14 21.742 14.494 3.310 1.00 1.00 N ATOM 1186 C5 DG C 14 22.106 15.602 2.529 1.00 1.00 C ATOM 1187 C6 DG C 14 21.935 15.884 1.125 1.00 1.00 C ATOM 1188 O6 DG C 14 21.469 15.171 0.239 1.00 1.00 O ATOM 1189 N1 DG C 14 22.364 17.140 0.758 1.00 1.00 N ATOM 1190 C2 DG C 14 22.951 18.009 1.607 1.00 1.00 C ATOM 1191 N2 DG C 14 23.329 19.153 1.101 1.00 1.00 N ATOM 1192 N3 DG C 14 23.172 17.788 2.900 1.00 1.00 N ATOM 1193 C4 DG C 14 22.711 16.567 3.311 1.00 1.00 C ATOM 0 H5' DG C 14 25.591 13.889 7.078 1.00 1.00 H new ATOM 0 H5'' DG C 14 25.344 14.253 8.775 1.00 1.00 H new ATOM 0 H4' DG C 14 25.671 16.306 7.798 1.00 1.00 H new ATOM 0 H3' DG C 14 23.190 16.025 9.054 1.00 1.00 H new ATOM 0 H2' DG C 14 21.932 15.610 7.024 1.00 1.00 H new ATOM 0 H2'' DG C 14 21.818 17.354 7.149 1.00 1.00 H new ATOM 0 H1' DG C 14 23.466 17.735 5.545 1.00 1.00 H new ATOM 0 H8 DG C 14 21.959 14.214 5.376 1.00 1.00 H new ATOM 0 H1 DG C 14 22.230 17.430 -0.211 1.00 1.00 H new ATOM 0 H21 DG C 14 23.779 19.850 1.695 1.00 1.00 H new ATOM 0 H22 DG C 14 23.174 19.349 0.112 1.00 1.00 H new ATOM 1205 P DC C 15 22.957 18.793 9.449 1.00 1.00 P ATOM 1206 OP1 DC C 15 23.799 19.765 10.204 1.00 1.00 O ATOM 1207 OP2 DC C 15 21.979 17.967 10.212 1.00 1.00 O ATOM 1208 O5' DC C 15 22.156 19.597 8.290 1.00 1.00 O ATOM 1209 C5' DC C 15 22.845 20.485 7.410 1.00 1.00 C ATOM 1210 C4' DC C 15 22.049 20.830 6.141 1.00 1.00 C ATOM 1211 O4' DC C 15 21.828 19.678 5.343 1.00 1.00 O ATOM 1212 C3' DC C 15 20.680 21.484 6.391 1.00 1.00 C ATOM 1213 O3' DC C 15 20.797 22.906 6.292 1.00 1.00 O ATOM 1214 C2' DC C 15 19.792 20.850 5.310 1.00 1.00 C ATOM 1215 C1' DC C 15 20.735 19.968 4.499 1.00 1.00 C ATOM 1216 N1 DC C 15 20.079 18.723 4.043 1.00 1.00 N ATOM 1217 C2 DC C 15 19.766 18.555 2.689 1.00 1.00 C ATOM 1218 O2 DC C 15 19.975 19.433 1.852 1.00 1.00 O ATOM 1219 N3 DC C 15 19.226 17.399 2.242 1.00 1.00 N ATOM 1220 C4 DC C 15 18.968 16.455 3.120 1.00 1.00 C ATOM 1221 N4 DC C 15 18.461 15.365 2.621 1.00 1.00 N ATOM 1222 C5 DC C 15 19.218 16.582 4.519 1.00 1.00 C ATOM 1223 C6 DC C 15 19.775 17.743 4.944 1.00 1.00 C ATOM 0 H5' DC C 15 23.795 20.034 7.122 1.00 1.00 H new ATOM 0 H5'' DC C 15 23.078 21.406 7.945 1.00 1.00 H new ATOM 0 H4' DC C 15 22.680 21.560 5.633 1.00 1.00 H new ATOM 0 H3' DC C 15 20.262 21.318 7.384 1.00 1.00 H new ATOM 0 H2' DC C 15 18.986 20.265 5.753 1.00 1.00 H new ATOM 0 H2'' DC C 15 19.326 21.611 4.684 1.00 1.00 H new ATOM 0 H1' DC C 15 21.052 20.485 3.593 1.00 1.00 H new ATOM 0 H41 DC C 15 18.231 14.582 3.234 1.00 1.00 H new ATOM 0 H42 DC C 15 18.293 15.293 1.617 1.00 1.00 H new ATOM 0 H5 DC C 15 18.974 15.788 5.209 1.00 1.00 H new ATOM 0 H6 DC C 15 19.978 17.892 5.994 1.00 1.00 H new ATOM 1235 P DA C 16 19.541 23.917 6.489 1.00 1.00 P ATOM 1236 OP1 DA C 16 20.091 25.277 6.754 1.00 1.00 O ATOM 1237 OP2 DA C 16 18.598 23.330 7.481 1.00 1.00 O ATOM 1238 O5' DA C 16 18.817 23.940 5.035 1.00 1.00 O ATOM 1239 C5' DA C 16 19.531 24.326 3.860 1.00 1.00 C ATOM 1240 C4' DA C 16 18.710 24.223 2.557 1.00 1.00 C ATOM 1241 O4' DA C 16 18.538 22.874 2.128 1.00 1.00 O ATOM 1242 C3' DA C 16 17.320 24.878 2.680 1.00 1.00 C ATOM 1243 O3' DA C 16 17.079 25.762 1.583 1.00 1.00 O ATOM 1244 C2' DA C 16 16.424 23.640 2.716 1.00 1.00 C ATOM 1245 C1' DA C 16 17.171 22.675 1.803 1.00 1.00 C ATOM 1246 N9 DA C 16 16.808 21.277 2.077 1.00 1.00 N ATOM 1247 C8 DA C 16 16.863 20.659 3.291 1.00 1.00 C ATOM 1248 N7 DA C 16 16.625 19.374 3.264 1.00 1.00 N ATOM 1249 C5 DA C 16 16.324 19.156 1.908 1.00 1.00 C ATOM 1250 C6 DA C 16 15.939 18.029 1.143 1.00 1.00 C ATOM 1251 N6 DA C 16 15.866 16.803 1.615 1.00 1.00 N ATOM 1252 N1 DA C 16 15.588 18.136 -0.140 1.00 1.00 N ATOM 1253 C2 DA C 16 15.642 19.340 -0.694 1.00 1.00 C ATOM 1254 N3 DA C 16 16.043 20.478 -0.131 1.00 1.00 N ATOM 1255 C4 DA C 16 16.375 20.319 1.185 1.00 1.00 C ATOM 0 H5' DA C 16 20.419 23.701 3.767 1.00 1.00 H new ATOM 0 H5'' DA C 16 19.875 25.353 3.979 1.00 1.00 H new ATOM 0 H4' DA C 16 19.295 24.765 1.814 1.00 1.00 H new ATOM 0 H3' DA C 16 17.166 25.524 3.544 1.00 1.00 H new ATOM 0 H2' DA C 16 16.317 23.244 3.726 1.00 1.00 H new ATOM 0 H2'' DA C 16 15.420 23.853 2.349 1.00 1.00 H new ATOM 0 H1' DA C 16 16.937 22.859 0.754 1.00 1.00 H new ATOM 0 H8 DA C 16 17.086 21.190 4.205 1.00 1.00 H new ATOM 0 H61 DA C 16 15.580 16.038 1.004 1.00 1.00 H new ATOM 0 H62 DA C 16 16.095 16.618 2.592 1.00 1.00 H new ATOM 0 H2 DA C 16 15.323 19.405 -1.724 1.00 1.00 H new ATOM 1267 P DT C 17 15.747 26.690 1.478 1.00 1.00 P ATOM 1268 OP1 DT C 17 16.076 27.856 0.609 1.00 1.00 O ATOM 1269 OP2 DT C 17 15.229 26.955 2.849 1.00 1.00 O ATOM 1270 O5' DT C 17 14.680 25.746 0.699 1.00 1.00 O ATOM 1271 C5' DT C 17 14.894 25.374 -0.660 1.00 1.00 C ATOM 1272 C4' DT C 17 13.852 24.380 -1.199 1.00 1.00 C ATOM 1273 O4' DT C 17 14.015 23.099 -0.596 1.00 1.00 O ATOM 1274 C3' DT C 17 12.393 24.833 -0.994 1.00 1.00 C ATOM 1275 O3' DT C 17 11.723 24.861 -2.255 1.00 1.00 O ATOM 1276 C2' DT C 17 11.866 23.782 -0.012 1.00 1.00 C ATOM 1277 C1' DT C 17 12.729 22.567 -0.350 1.00 1.00 C ATOM 1278 N1 DT C 17 12.806 21.536 0.719 1.00 1.00 N ATOM 1279 C2 DT C 17 12.632 20.191 0.359 1.00 1.00 C ATOM 1280 O2 DT C 17 12.372 19.790 -0.779 1.00 1.00 O ATOM 1281 N3 DT C 17 12.788 19.269 1.365 1.00 1.00 N ATOM 1282 C4 DT C 17 13.076 19.536 2.680 1.00 1.00 C ATOM 1283 O4 DT C 17 13.217 18.586 3.451 1.00 1.00 O ATOM 1284 C5 DT C 17 13.207 20.956 2.999 1.00 1.00 C ATOM 1285 C7 DT C 17 13.490 21.402 4.419 1.00 1.00 C ATOM 1286 C6 DT C 17 13.083 21.894 2.024 1.00 1.00 C ATOM 0 H5' DT C 17 15.887 24.934 -0.755 1.00 1.00 H new ATOM 0 H5'' DT C 17 14.882 26.271 -1.279 1.00 1.00 H new ATOM 0 H4' DT C 17 14.035 24.331 -2.272 1.00 1.00 H new ATOM 0 H3' DT C 17 12.253 25.840 -0.601 1.00 1.00 H new ATOM 0 H2' DT C 17 11.990 24.094 1.025 1.00 1.00 H new ATOM 0 H2'' DT C 17 10.805 23.582 -0.160 1.00 1.00 H new ATOM 0 H1' DT C 17 12.290 22.039 -1.196 1.00 1.00 H new ATOM 0 H3 DT C 17 12.679 18.288 1.109 1.00 1.00 H new ATOM 0 H71 DT C 17 14.057 22.333 4.402 1.00 1.00 H new ATOM 0 H72 DT C 17 12.549 21.561 4.945 1.00 1.00 H new ATOM 0 H73 DT C 17 14.068 20.634 4.933 1.00 1.00 H new ATOM 0 H6 DT C 17 13.203 22.938 2.274 1.00 1.00 H new ATOM 1299 P DA C 18 10.191 25.368 -2.421 1.00 1.00 P ATOM 1300 OP1 DA C 18 9.977 25.726 -3.854 1.00 1.00 O ATOM 1301 OP2 DA C 18 9.895 26.400 -1.385 1.00 1.00 O ATOM 1302 O5' DA C 18 9.328 24.039 -2.089 1.00 1.00 O ATOM 1303 C5' DA C 18 9.445 22.878 -2.898 1.00 1.00 C ATOM 1304 C4' DA C 18 8.578 21.701 -2.430 1.00 1.00 C ATOM 1305 O4' DA C 18 9.199 20.953 -1.398 1.00 1.00 O ATOM 1306 C3' DA C 18 7.169 22.084 -1.956 1.00 1.00 C ATOM 1307 O3' DA C 18 6.276 21.483 -2.887 1.00 1.00 O ATOM 1308 C2' DA C 18 7.152 21.555 -0.520 1.00 1.00 C ATOM 1309 C1' DA C 18 8.185 20.437 -0.558 1.00 1.00 C ATOM 1310 N9 DA C 18 8.793 20.060 0.736 1.00 1.00 N ATOM 1311 C8 DA C 18 9.175 20.872 1.770 1.00 1.00 C ATOM 1312 N7 DA C 18 9.689 20.239 2.797 1.00 1.00 N ATOM 1313 C5 DA C 18 9.621 18.894 2.399 1.00 1.00 C ATOM 1314 C6 DA C 18 9.939 17.645 2.994 1.00 1.00 C ATOM 1315 N6 DA C 18 10.408 17.454 4.214 1.00 1.00 N ATOM 1316 N1 DA C 18 9.779 16.507 2.329 1.00 1.00 N ATOM 1317 C2 DA C 18 9.329 16.568 1.091 1.00 1.00 C ATOM 1318 N3 DA C 18 8.958 17.640 0.407 1.00 1.00 N ATOM 1319 C4 DA C 18 9.119 18.786 1.130 1.00 1.00 C ATOM 0 H5' DA C 18 10.488 22.563 -2.915 1.00 1.00 H new ATOM 0 H5'' DA C 18 9.172 23.132 -3.922 1.00 1.00 H new ATOM 0 H4' DA C 18 8.473 21.098 -3.332 1.00 1.00 H new ATOM 0 H3' DA C 18 6.881 23.135 -1.931 1.00 1.00 H new ATOM 0 H2' DA C 18 7.420 22.329 0.199 1.00 1.00 H new ATOM 0 H2'' DA C 18 6.166 21.185 -0.237 1.00 1.00 H new ATOM 0 H1' DA C 18 7.697 19.521 -0.890 1.00 1.00 H new ATOM 0 H8 DA C 18 9.062 21.946 1.742 1.00 1.00 H new ATOM 0 H61 DA C 18 10.603 16.509 4.543 1.00 1.00 H new ATOM 0 H62 DA C 18 10.575 18.252 4.827 1.00 1.00 H new ATOM 0 H2 DA C 18 9.253 15.625 0.569 1.00 1.00 H new ATOM 1331 P DT C 19 4.693 21.578 -2.768 1.00 1.00 P ATOM 1332 OP1 DT C 19 4.137 21.249 -4.098 1.00 1.00 O ATOM 1333 OP2 DT C 19 4.281 22.823 -2.088 1.00 1.00 O ATOM 1334 O5' DT C 19 4.410 20.332 -1.870 1.00 1.00 O ATOM 1335 C5' DT C 19 4.660 19.011 -2.330 1.00 1.00 C ATOM 1336 C4' DT C 19 4.079 18.023 -1.321 1.00 1.00 C ATOM 1337 O4' DT C 19 5.048 17.843 -0.303 1.00 1.00 O ATOM 1338 C3' DT C 19 2.792 18.557 -0.646 1.00 1.00 C ATOM 1339 O3' DT C 19 1.798 17.578 -0.493 1.00 1.00 O ATOM 1340 C2' DT C 19 3.296 18.964 0.722 1.00 1.00 C ATOM 1341 C1' DT C 19 4.362 17.884 0.923 1.00 1.00 C ATOM 1342 N1 DT C 19 5.317 18.109 2.032 1.00 1.00 N ATOM 1343 C2 DT C 19 5.685 17.003 2.806 1.00 1.00 C ATOM 1344 O2 DT C 19 5.334 15.846 2.569 1.00 1.00 O ATOM 1345 N3 DT C 19 6.464 17.258 3.906 1.00 1.00 N ATOM 1346 C4 DT C 19 6.815 18.501 4.373 1.00 1.00 C ATOM 1347 O4 DT C 19 7.458 18.566 5.417 1.00 1.00 O ATOM 1348 C5 DT C 19 6.377 19.619 3.533 1.00 1.00 C ATOM 1349 C7 DT C 19 6.661 21.058 3.936 1.00 1.00 C ATOM 1350 C6 DT C 19 5.697 19.383 2.382 1.00 1.00 C ATOM 0 H5' DT C 19 5.731 18.847 -2.445 1.00 1.00 H new ATOM 0 H5'' DT C 19 4.207 18.860 -3.310 1.00 1.00 H new ATOM 0 H4' DT C 19 3.831 17.101 -1.847 1.00 1.00 H new ATOM 0 H3' DT C 19 2.326 19.347 -1.235 1.00 1.00 H new ATOM 0 H2' DT C 19 3.712 19.972 0.734 1.00 1.00 H new ATOM 0 H2'' DT C 19 2.517 18.932 1.483 1.00 1.00 H new ATOM 0 H1' DT C 19 3.872 16.954 1.209 1.00 1.00 H new ATOM 0 H3 DT C 19 6.814 16.452 4.424 1.00 1.00 H new ATOM 0 H71 DT C 19 6.765 21.672 3.042 1.00 1.00 H new ATOM 0 H72 DT C 19 5.837 21.436 4.542 1.00 1.00 H new ATOM 0 H73 DT C 19 7.584 21.099 4.514 1.00 1.00 H new ATOM 0 H6 DT C 19 5.451 20.209 1.731 1.00 1.00 H new ATOM 1363 P DA C 20 0.776 17.263 -1.694 1.00 1.00 P ATOM 1364 OP1 DA C 20 1.560 17.198 -2.954 1.00 1.00 O ATOM 1365 OP2 DA C 20 -0.349 18.232 -1.612 1.00 1.00 O ATOM 1366 O5' DA C 20 0.315 15.798 -1.244 1.00 1.00 O ATOM 1367 C5' DA C 20 -0.401 15.634 -0.035 1.00 1.00 C ATOM 1368 C4' DA C 20 -0.059 14.298 0.623 1.00 1.00 C ATOM 1369 O4' DA C 20 1.217 14.411 1.256 1.00 1.00 O ATOM 1370 C3' DA C 20 -1.109 14.059 1.711 1.00 1.00 C ATOM 1371 O3' DA C 20 -1.484 12.694 1.804 1.00 1.00 O ATOM 1372 C2' DA C 20 -0.388 14.614 2.930 1.00 1.00 C ATOM 1373 C1' DA C 20 1.083 14.331 2.663 1.00 1.00 C ATOM 1374 N9 DA C 20 1.903 15.364 3.341 1.00 1.00 N ATOM 1375 C8 DA C 20 1.989 16.694 3.016 1.00 1.00 C ATOM 1376 N7 DA C 20 2.651 17.430 3.866 1.00 1.00 N ATOM 1377 C5 DA C 20 3.048 16.494 4.827 1.00 1.00 C ATOM 1378 C6 DA C 20 3.808 16.568 6.017 1.00 1.00 C ATOM 1379 N6 DA C 20 4.359 17.676 6.474 1.00 1.00 N ATOM 1380 N1 DA C 20 4.035 15.489 6.768 1.00 1.00 N ATOM 1381 C2 DA C 20 3.529 14.341 6.341 1.00 1.00 C ATOM 1382 N3 DA C 20 2.799 14.104 5.258 1.00 1.00 N ATOM 1383 C4 DA C 20 2.598 15.236 4.526 1.00 1.00 C ATOM 0 H5' DA C 20 -1.472 15.684 -0.232 1.00 1.00 H new ATOM 0 H5'' DA C 20 -0.164 16.451 0.647 1.00 1.00 H new ATOM 0 H4' DA C 20 -0.042 13.491 -0.109 1.00 1.00 H new ATOM 0 H3' DA C 20 -2.075 14.535 1.543 1.00 1.00 H new ATOM 0 H2' DA C 20 -0.572 15.682 3.048 1.00 1.00 H new ATOM 0 H2'' DA C 20 -0.726 14.129 3.846 1.00 1.00 H new ATOM 0 H1' DA C 20 1.413 13.361 3.036 1.00 1.00 H new ATOM 0 H8 DA C 20 1.541 17.102 2.122 1.00 1.00 H new ATOM 0 H61 DA C 20 4.896 17.659 7.341 1.00 1.00 H new ATOM 0 H62 DA C 20 4.248 18.550 5.960 1.00 1.00 H new ATOM 0 H2 DA C 20 3.739 13.480 6.959 1.00 1.00 H new ATOM 1395 P DT C 21 -2.786 12.247 2.646 1.00 1.00 P ATOM 1396 OP1 DT C 21 -3.232 10.920 2.155 1.00 1.00 O ATOM 1397 OP2 DT C 21 -3.754 13.378 2.585 1.00 1.00 O ATOM 1398 O5' DT C 21 -2.219 12.105 4.150 1.00 1.00 O ATOM 1399 C5' DT C 21 -1.260 11.104 4.474 1.00 1.00 C ATOM 1400 C4' DT C 21 -1.034 10.942 5.984 1.00 1.00 C ATOM 1401 O4' DT C 21 -0.169 11.956 6.483 1.00 1.00 O ATOM 1402 C3' DT C 21 -2.337 10.994 6.783 1.00 1.00 C ATOM 1403 O3' DT C 21 -2.290 9.990 7.784 1.00 1.00 O ATOM 1404 C2' DT C 21 -2.338 12.408 7.340 1.00 1.00 C ATOM 1405 C1' DT C 21 -0.844 12.683 7.494 1.00 1.00 C ATOM 1406 N1 DT C 21 -0.424 14.113 7.405 1.00 1.00 N ATOM 1407 C2 DT C 21 0.563 14.539 8.304 1.00 1.00 C ATOM 1408 O2 DT C 21 1.047 13.822 9.177 1.00 1.00 O ATOM 1409 N3 DT C 21 1.016 15.824 8.183 1.00 1.00 N ATOM 1410 C4 DT C 21 0.571 16.744 7.269 1.00 1.00 C ATOM 1411 O4 DT C 21 1.105 17.851 7.254 1.00 1.00 O ATOM 1412 C5 DT C 21 -0.485 16.265 6.375 1.00 1.00 C ATOM 1413 C7 DT C 21 -1.083 17.207 5.346 1.00 1.00 C ATOM 1414 C6 DT C 21 -0.935 14.984 6.457 1.00 1.00 C ATOM 0 H5' DT C 21 -0.312 11.352 3.997 1.00 1.00 H new ATOM 0 H5'' DT C 21 -1.586 10.151 4.059 1.00 1.00 H new ATOM 0 H4' DT C 21 -0.582 9.958 6.111 1.00 1.00 H new ATOM 0 H3' DT C 21 -3.248 10.800 6.217 1.00 1.00 H new ATOM 0 H2' DT C 21 -2.816 13.115 6.662 1.00 1.00 H new ATOM 0 H2'' DT C 21 -2.866 12.472 8.291 1.00 1.00 H new ATOM 0 H1' DT C 21 -0.588 12.376 8.508 1.00 1.00 H new ATOM 0 H3 DT C 21 1.747 16.123 8.828 1.00 1.00 H new ATOM 0 H71 DT C 21 -1.043 18.229 5.722 1.00 1.00 H new ATOM 0 H72 DT C 21 -0.516 17.139 4.418 1.00 1.00 H new ATOM 0 H73 DT C 21 -2.120 16.930 5.159 1.00 1.00 H new ATOM 0 H6 DT C 21 -1.700 14.642 5.775 1.00 1.00 H new ATOM 1427 P DG C 22 -3.573 9.568 8.640 1.00 1.00 P ATOM 1428 OP1 DG C 22 -3.370 8.147 9.015 1.00 1.00 O ATOM 1429 OP2 DG C 22 -4.819 9.933 7.928 1.00 1.00 O ATOM 1430 O5' DG C 22 -3.417 10.469 9.951 1.00 1.00 O ATOM 1431 C5' DG C 22 -2.416 10.177 10.911 1.00 1.00 C ATOM 1432 C4' DG C 22 -2.252 11.270 11.970 1.00 1.00 C ATOM 1433 O4' DG C 22 -1.583 12.398 11.411 1.00 1.00 O ATOM 1434 C3' DG C 22 -3.571 11.750 12.611 1.00 1.00 C ATOM 1435 O3' DG C 22 -3.473 11.574 14.022 1.00 1.00 O ATOM 1436 C2' DG C 22 -3.624 13.206 12.148 1.00 1.00 C ATOM 1437 C1' DG C 22 -2.144 13.539 12.022 1.00 1.00 C ATOM 1438 N9 DG C 22 -1.880 14.755 11.234 1.00 1.00 N ATOM 1439 C8 DG C 22 -2.410 15.105 10.025 1.00 1.00 C ATOM 1440 N7 DG C 22 -1.993 16.254 9.563 1.00 1.00 N ATOM 1441 C5 DG C 22 -1.124 16.709 10.569 1.00 1.00 C ATOM 1442 C6 DG C 22 -0.339 17.915 10.692 1.00 1.00 C ATOM 1443 O6 DG C 22 -0.198 18.840 9.893 1.00 1.00 O ATOM 1444 N1 DG C 22 0.328 18.018 11.891 1.00 1.00 N ATOM 1445 C2 DG C 22 0.299 17.065 12.849 1.00 1.00 C ATOM 1446 N2 DG C 22 0.986 17.297 13.933 1.00 1.00 N ATOM 1447 N3 DG C 22 -0.374 15.920 12.775 1.00 1.00 N ATOM 1448 C4 DG C 22 -1.074 15.802 11.606 1.00 1.00 C ATOM 0 H5' DG C 22 -1.464 10.031 10.400 1.00 1.00 H new ATOM 0 H5'' DG C 22 -2.660 9.237 11.405 1.00 1.00 H new ATOM 0 H4' DG C 22 -1.666 10.808 12.765 1.00 1.00 H new ATOM 0 H3' DG C 22 -4.482 11.219 12.333 1.00 1.00 H new ATOM 0 H2' DG C 22 -4.151 13.316 11.200 1.00 1.00 H new ATOM 0 H2'' DG C 22 -4.129 13.848 12.870 1.00 1.00 H new ATOM 0 H1' DG C 22 -1.709 13.761 12.996 1.00 1.00 H new ATOM 0 H8 DG C 22 -3.116 14.483 9.494 1.00 1.00 H new ATOM 0 H1 DG C 22 0.875 18.861 12.067 1.00 1.00 H new ATOM 0 H21 DG C 22 0.997 16.610 14.687 1.00 1.00 H new ATOM 0 H22 DG C 22 1.512 18.166 14.027 1.00 1.00 H new ATOM 1460 P DC C 23 -4.673 11.927 15.059 1.00 1.00 P ATOM 1461 OP1 DC C 23 -4.795 10.797 16.022 1.00 1.00 O ATOM 1462 OP2 DC C 23 -5.891 12.353 14.311 1.00 1.00 O ATOM 1463 O5' DC C 23 -4.069 13.215 15.837 1.00 1.00 O ATOM 1464 C5' DC C 23 -2.878 13.099 16.619 1.00 1.00 C ATOM 1465 C4' DC C 23 -2.463 14.390 17.347 1.00 1.00 C ATOM 1466 O4' DC C 23 -1.971 15.354 16.418 1.00 1.00 O ATOM 1467 C3' DC C 23 -3.612 15.010 18.165 1.00 1.00 C ATOM 1468 O3' DC C 23 -3.151 15.383 19.464 1.00 1.00 O ATOM 1469 C2' DC C 23 -4.023 16.180 17.268 1.00 1.00 C ATOM 1470 C1' DC C 23 -2.735 16.544 16.527 1.00 1.00 C ATOM 1471 N1 DC C 23 -2.948 17.119 15.174 1.00 1.00 N ATOM 1472 C2 DC C 23 -2.337 18.330 14.810 1.00 1.00 C ATOM 1473 O2 DC C 23 -1.626 18.970 15.585 1.00 1.00 O ATOM 1474 N3 DC C 23 -2.521 18.855 13.574 1.00 1.00 N ATOM 1475 C4 DC C 23 -3.293 18.195 12.734 1.00 1.00 C ATOM 1476 N4 DC C 23 -3.403 18.722 11.547 1.00 1.00 N ATOM 1477 C5 DC C 23 -3.936 16.961 13.037 1.00 1.00 C ATOM 1478 C6 DC C 23 -3.732 16.454 14.278 1.00 1.00 C ATOM 0 H5' DC C 23 -2.061 12.785 15.969 1.00 1.00 H new ATOM 0 H5'' DC C 23 -3.019 12.310 17.358 1.00 1.00 H new ATOM 0 H4' DC C 23 -1.674 14.108 18.045 1.00 1.00 H new ATOM 0 H3' DC C 23 -4.454 14.354 18.383 1.00 1.00 H new ATOM 0 H2' DC C 23 -4.815 15.894 16.576 1.00 1.00 H new ATOM 0 H2'' DC C 23 -4.399 17.020 17.853 1.00 1.00 H new ATOM 0 H1' DC C 23 -2.230 17.324 17.096 1.00 1.00 H new ATOM 0 H41 DC C 23 -3.983 18.270 10.840 1.00 1.00 H new ATOM 0 H42 DC C 23 -2.909 19.586 11.325 1.00 1.00 H new ATOM 0 H5 DC C 23 -4.556 16.453 12.313 1.00 1.00 H new ATOM 0 H6 DC C 23 -4.193 15.518 14.558 1.00 1.00 H new ATOM 1490 P DG C 24 -4.169 15.799 20.661 1.00 1.00 P ATOM 1491 OP1 DG C 24 -3.428 15.694 21.950 1.00 1.00 O ATOM 1492 OP2 DG C 24 -5.440 15.033 20.513 1.00 1.00 O ATOM 1493 O5' DG C 24 -4.482 17.362 20.383 1.00 1.00 O ATOM 1494 C5' DG C 24 -3.485 18.357 20.590 1.00 1.00 C ATOM 1495 C4' DG C 24 -3.813 19.690 19.903 1.00 1.00 C ATOM 1496 O4' DG C 24 -3.657 19.606 18.495 1.00 1.00 O ATOM 1497 C3' DG C 24 -5.234 20.236 20.136 1.00 1.00 C ATOM 1498 O3' DG C 24 -5.335 21.097 21.272 1.00 1.00 O ATOM 1499 C2' DG C 24 -5.526 21.011 18.852 1.00 1.00 C ATOM 1500 C1' DG C 24 -4.317 20.731 17.952 1.00 1.00 C ATOM 1501 N9 DG C 24 -4.706 20.504 16.548 1.00 1.00 N ATOM 1502 C8 DG C 24 -5.522 19.526 16.053 1.00 1.00 C ATOM 1503 N7 DG C 24 -5.778 19.636 14.773 1.00 1.00 N ATOM 1504 C5 DG C 24 -5.077 20.795 14.396 1.00 1.00 C ATOM 1505 C6 DG C 24 -4.964 21.492 13.134 1.00 1.00 C ATOM 1506 O6 DG C 24 -5.456 21.227 12.037 1.00 1.00 O ATOM 1507 N1 DG C 24 -4.196 22.636 13.210 1.00 1.00 N ATOM 1508 C2 DG C 24 -3.595 23.071 14.342 1.00 1.00 C ATOM 1509 N2 DG C 24 -2.907 24.178 14.263 1.00 1.00 N ATOM 1510 N3 DG C 24 -3.663 22.467 15.521 1.00 1.00 N ATOM 1511 C4 DG C 24 -4.418 21.328 15.485 1.00 1.00 C ATOM 0 H5' DG C 24 -2.529 17.988 20.217 1.00 1.00 H new ATOM 0 H5'' DG C 24 -3.366 18.526 21.660 1.00 1.00 H new ATOM 0 H4' DG C 24 -3.101 20.371 20.370 1.00 1.00 H new ATOM 0 H3' DG C 24 -5.938 19.431 20.346 1.00 1.00 H new ATOM 0 H2' DG C 24 -6.453 20.675 18.388 1.00 1.00 H new ATOM 0 H2'' DG C 24 -5.636 22.077 19.048 1.00 1.00 H new ATOM 0 HO3' DG C 24 -6.259 21.410 21.364 1.00 1.00 H new ATOM 0 H1' DG C 24 -3.656 21.598 17.930 1.00 1.00 H new ATOM 0 H8 DG C 24 -5.922 18.731 16.665 1.00 1.00 H new ATOM 0 H1 DG C 24 -4.074 23.188 12.361 1.00 1.00 H new ATOM 0 H21 DG C 24 -2.436 24.546 15.090 1.00 1.00 H new ATOM 0 H22 DG C 24 -2.841 24.675 13.375 1.00 1.00 H new TER 1524 DG C 24