USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 643 hydrogens (11 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 NoAdj-H: A 23 HIS HE2 : A 23 HIS NE2 : A 128 ZNZN :(H bumps) USER MOD NoAdj-H: A 44 HIS HE2 : A 44 HIS NE2 : A 149 ZNZN :(H bumps) USER MOD Set 1.1: A 26 LYS NZ :NH3+ -115:sc= -4.21! (180deg=-9.17!) USER MOD Set 1.2: B 212 A O2' : rot -23:sc= -2.12 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -177:sc= 0 (180deg=-0.000695) USER MOD Single : A 2 GLN : amide:sc= -0.455 K(o=-0.46,f=-3!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 ASN :FLIP amide:sc= -2.19! C(o=-6.5!,f=-2.2!) USER MOD Single : A 9 GLN : amide:sc= 0.0646 K(o=0.065,f=-1.3!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc=-0.00748 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -1.55! C(o=-1.6!,f=-2.8!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN :FLIP amide:sc= -4.35! C(o=-7.8!,f=-4.4!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -3.27! C(o=-3.3!,f=-11!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 147:sc= 1.2 (180deg=0.174) USER MOD Single : A 50 THR OG1 : rot -61:sc= 1.09 USER MOD Single : A 53 GLN : amide:sc= -0.0175 X(o=-0.017,f=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 201 CG1 O2' : rot -154:sc= -1.34 USER MOD Single : B 202 G O2' : rot -23:sc= 0.413 USER MOD Single : B 203 C O2' : rot 13:sc= -0.861 USER MOD Single : B 204 G O2' : rot -134:sc= 0.764 USER MOD Single : B 205 A O2' : rot 12:sc= -1.97! USER MOD Single : B 206 C O2' : rot -164:sc= -2.57! USER MOD Single : B 207 U O2' : rot -25:sc= 0.442 USER MOD Single : B 208 G O2' : rot 131:sc= -3.16! USER MOD Single : B 209 G O2' : rot 28:sc= 0.438 USER MOD Single : B 210 U O2' : rot 35:sc= 0.366 USER MOD Single : B 211 G O2' : rot 85:sc= -0.997! USER MOD Single : B 213 G O2' : rot -79:sc= 0.758 USER MOD Single : B 214 U O2' : rot -67:sc= 1.53 USER MOD Single : B 215 A O2' : rot -28:sc= 0.653 USER MOD Single : B 216 C O2' : rot 180:sc= -0.325 USER MOD Single : B 217 G O2' : rot -5:sc= 0.626 USER MOD Single : B 218 C O2' : rot -120:sc= 0.0596 USER MOD Single : B 219 C O2' : rot -24:sc= 0.468 USER MOD Single : B 219 C O3' : rot 180:sc= 0.329 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -28.311 10.183 6.775 1.00 0.00 N ATOM 2 CA MET A 1 -29.723 10.250 6.441 1.00 0.00 C ATOM 3 C MET A 1 -30.524 9.216 7.236 1.00 0.00 C ATOM 4 O MET A 1 -31.480 9.565 7.929 1.00 0.00 O ATOM 5 CB MET A 1 -29.908 9.996 4.943 1.00 0.00 C ATOM 6 CG MET A 1 -29.484 11.217 4.125 1.00 0.00 C ATOM 7 SD MET A 1 -30.910 11.957 3.348 1.00 0.00 S ATOM 8 CE MET A 1 -30.356 13.649 3.228 1.00 0.00 C ATOM 0 H1 MET A 1 -27.797 10.927 6.261 1.00 0.00 H new ATOM 0 H2 MET A 1 -28.189 10.322 7.799 1.00 0.00 H new ATOM 0 H3 MET A 1 -27.934 9.252 6.505 1.00 0.00 H new ATOM 0 HA MET A 1 -30.090 11.244 6.698 1.00 0.00 H new ATOM 0 HB2 MET A 1 -29.319 9.129 4.642 1.00 0.00 H new ATOM 0 HB3 MET A 1 -30.952 9.760 4.736 1.00 0.00 H new ATOM 0 HG2 MET A 1 -28.993 11.945 4.771 1.00 0.00 H new ATOM 0 HG3 MET A 1 -28.758 10.923 3.367 1.00 0.00 H new ATOM 0 HE1 MET A 1 -31.133 14.254 2.761 1.00 0.00 H new ATOM 0 HE2 MET A 1 -30.146 14.035 4.226 1.00 0.00 H new ATOM 0 HE3 MET A 1 -29.450 13.693 2.624 1.00 0.00 H new ATOM 18 N GLN A 2 -30.106 7.966 7.110 1.00 0.00 N ATOM 19 CA GLN A 2 -30.772 6.879 7.807 1.00 0.00 C ATOM 20 C GLN A 2 -32.178 6.669 7.243 1.00 0.00 C ATOM 21 O GLN A 2 -33.165 6.771 7.970 1.00 0.00 O ATOM 22 CB GLN A 2 -30.821 7.143 9.314 1.00 0.00 C ATOM 23 CG GLN A 2 -30.486 5.876 10.104 1.00 0.00 C ATOM 24 CD GLN A 2 -29.256 6.090 10.988 1.00 0.00 C ATOM 25 OE1 GLN A 2 -28.748 7.189 11.133 1.00 0.00 O ATOM 26 NE2 GLN A 2 -28.808 4.980 11.569 1.00 0.00 N ATOM 0 H GLN A 2 -29.313 7.681 6.535 1.00 0.00 H new ATOM 0 HA GLN A 2 -30.198 5.966 7.649 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -30.116 7.933 9.571 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -31.813 7.498 9.593 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -31.338 5.593 10.722 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -30.304 5.051 9.415 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -29.281 4.092 11.404 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -27.991 5.018 12.179 1.00 0.00 H new ATOM 35 N LYS A 3 -32.225 6.379 5.951 1.00 0.00 N ATOM 36 CA LYS A 3 -33.494 6.153 5.279 1.00 0.00 C ATOM 37 C LYS A 3 -34.196 4.951 5.915 1.00 0.00 C ATOM 38 O LYS A 3 -35.399 4.991 6.164 1.00 0.00 O ATOM 39 CB LYS A 3 -33.286 6.016 3.770 1.00 0.00 C ATOM 40 CG LYS A 3 -32.689 7.296 3.181 1.00 0.00 C ATOM 41 CD LYS A 3 -32.269 7.085 1.724 1.00 0.00 C ATOM 42 CE LYS A 3 -30.953 7.805 1.424 1.00 0.00 C ATOM 43 NZ LYS A 3 -30.387 7.334 0.140 1.00 0.00 N ATOM 0 H LYS A 3 -31.404 6.295 5.351 1.00 0.00 H new ATOM 0 HA LYS A 3 -34.151 7.013 5.409 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -32.625 5.174 3.565 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -34.238 5.798 3.286 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -33.420 8.103 3.239 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -31.826 7.604 3.771 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -32.158 6.019 1.524 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -33.050 7.455 1.059 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -31.122 8.881 1.381 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -30.241 7.626 2.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -29.494 7.832 -0.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -30.208 6.311 0.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -31.061 7.527 -0.628 1.00 0.00 H new ATOM 57 N GLY A 4 -33.412 3.910 6.160 1.00 0.00 N ATOM 58 CA GLY A 4 -33.943 2.699 6.761 1.00 0.00 C ATOM 59 C GLY A 4 -34.516 2.983 8.151 1.00 0.00 C ATOM 60 O GLY A 4 -35.222 2.150 8.717 1.00 0.00 O ATOM 0 H GLY A 4 -32.414 3.881 5.953 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -34.721 2.282 6.121 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -33.155 1.949 6.835 1.00 0.00 H new ATOM 64 N ASN A 5 -34.192 4.163 8.660 1.00 0.00 N ATOM 65 CA ASN A 5 -34.666 4.567 9.973 1.00 0.00 C ATOM 66 C ASN A 5 -36.195 4.525 9.994 1.00 0.00 C ATOM 67 O ASN A 5 -36.801 4.381 11.054 1.00 0.00 O ATOM 68 CB ASN A 5 -34.227 5.996 10.301 1.00 0.00 C ATOM 69 CG ASN A 5 -34.502 6.331 11.768 1.00 0.00 C ATOM 70 OD1 ASN A 5 -35.383 7.107 12.101 1.00 0.00 O ATOM 71 ND2 ASN A 5 -33.701 5.703 12.624 1.00 0.00 N ATOM 0 H ASN A 5 -33.607 4.852 8.187 1.00 0.00 H new ATOM 0 HA ASN A 5 -34.245 3.882 10.709 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -33.164 6.111 10.091 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -34.756 6.699 9.658 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -33.804 5.858 13.627 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -32.984 5.066 12.278 1.00 0.00 H new ATOM 78 N PHE A 6 -36.775 4.654 8.809 1.00 0.00 N ATOM 79 CA PHE A 6 -38.222 4.633 8.678 1.00 0.00 C ATOM 80 C PHE A 6 -38.801 3.322 9.213 1.00 0.00 C ATOM 81 O PHE A 6 -40.008 3.216 9.432 1.00 0.00 O ATOM 82 CB PHE A 6 -38.538 4.744 7.185 1.00 0.00 C ATOM 83 CG PHE A 6 -40.020 4.572 6.848 1.00 0.00 C ATOM 84 CD1 PHE A 6 -40.968 5.146 7.636 1.00 0.00 C ATOM 85 CD2 PHE A 6 -40.390 3.846 5.760 1.00 0.00 C ATOM 86 CE1 PHE A 6 -42.343 4.987 7.323 1.00 0.00 C ATOM 87 CE2 PHE A 6 -41.766 3.685 5.447 1.00 0.00 C ATOM 88 CZ PHE A 6 -42.714 4.259 6.235 1.00 0.00 C ATOM 0 H PHE A 6 -36.269 4.773 7.931 1.00 0.00 H new ATOM 0 HA PHE A 6 -38.659 5.453 9.248 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -38.205 5.717 6.825 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -37.964 3.991 6.646 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -40.674 5.723 8.500 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -39.637 3.391 5.133 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -43.095 5.444 7.949 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -42.059 3.107 4.583 1.00 0.00 H new ATOM 0 HZ PHE A 6 -43.760 4.137 5.997 1.00 0.00 H new ATOM 98 N ARG A 7 -37.915 2.356 9.408 1.00 0.00 N ATOM 99 CA ARG A 7 -38.324 1.057 9.912 1.00 0.00 C ATOM 100 C ARG A 7 -39.069 1.213 11.240 1.00 0.00 C ATOM 101 O ARG A 7 -39.767 0.299 11.676 1.00 0.00 O ATOM 102 CB ARG A 7 -37.116 0.140 10.118 1.00 0.00 C ATOM 103 CG ARG A 7 -37.521 -1.332 10.019 1.00 0.00 C ATOM 104 CD ARG A 7 -36.590 -2.214 10.855 1.00 0.00 C ATOM 105 NE ARG A 7 -37.082 -3.610 10.853 1.00 0.00 N ATOM 106 CZ ARG A 7 -36.719 -4.535 11.753 1.00 0.00 C ATOM 107 NH1 ARG A 7 -35.860 -4.216 12.731 1.00 0.00 N ATOM 108 NH2 ARG A 7 -37.214 -5.777 11.674 1.00 0.00 N ATOM 0 H ARG A 7 -36.916 2.448 9.226 1.00 0.00 H new ATOM 0 HA ARG A 7 -38.985 0.608 9.171 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -36.355 0.362 9.370 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -36.671 0.333 11.094 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -38.548 -1.454 10.362 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -37.492 -1.652 8.977 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -35.578 -2.175 10.451 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -36.540 -1.838 11.877 1.00 0.00 H new ATOM 0 HE ARG A 7 -37.738 -3.885 10.122 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -35.483 -3.270 12.790 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -35.583 -4.919 13.416 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -37.867 -6.019 10.929 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -36.938 -6.481 12.359 1.00 0.00 H new ATOM 122 N ASN A 8 -38.894 2.377 11.846 1.00 0.00 N ATOM 123 CA ASN A 8 -39.539 2.666 13.116 1.00 0.00 C ATOM 124 C ASN A 8 -41.057 2.586 12.940 1.00 0.00 C ATOM 125 O ASN A 8 -41.799 2.560 13.921 1.00 0.00 O ATOM 126 CB ASN A 8 -39.193 4.074 13.603 1.00 0.00 C ATOM 127 CG ASN A 8 -39.961 5.133 12.811 1.00 0.00 C ATOM 128 OD1 ASN A 8 -41.236 5.260 13.171 1.00 0.00 O flip ATOM 129 ND2 ASN A 8 -39.432 5.792 11.931 1.00 0.00 N flip ATOM 0 H ASN A 8 -38.314 3.133 11.481 1.00 0.00 H new ATOM 0 HA ASN A 8 -39.188 1.937 13.846 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -39.431 4.164 14.663 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -38.121 4.245 13.501 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -38.449 5.644 11.704 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -39.973 6.491 11.422 1.00 0.00 H new ATOM 136 N GLN A 9 -41.474 2.551 11.682 1.00 0.00 N ATOM 137 CA GLN A 9 -42.890 2.476 11.365 1.00 0.00 C ATOM 138 C GLN A 9 -43.528 1.274 12.065 1.00 0.00 C ATOM 139 O GLN A 9 -44.703 1.313 12.426 1.00 0.00 O ATOM 140 CB GLN A 9 -43.110 2.410 9.852 1.00 0.00 C ATOM 141 CG GLN A 9 -44.389 3.148 9.452 1.00 0.00 C ATOM 142 CD GLN A 9 -45.571 2.180 9.348 1.00 0.00 C ATOM 143 OE1 GLN A 9 -45.429 1.023 8.988 1.00 0.00 O ATOM 144 NE2 GLN A 9 -46.740 2.717 9.682 1.00 0.00 N ATOM 0 H GLN A 9 -40.856 2.573 10.871 1.00 0.00 H new ATOM 0 HA GLN A 9 -43.373 3.382 11.730 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -42.256 2.850 9.337 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -43.172 1.369 9.535 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -44.612 3.922 10.187 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -44.240 3.650 8.496 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -46.788 3.693 9.975 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -47.589 2.153 9.646 1.00 0.00 H new ATOM 153 N ARG A 10 -42.723 0.235 12.237 1.00 0.00 N ATOM 154 CA ARG A 10 -43.194 -0.976 12.888 1.00 0.00 C ATOM 155 C ARG A 10 -43.764 -0.649 14.270 1.00 0.00 C ATOM 156 O ARG A 10 -44.502 -1.447 14.846 1.00 0.00 O ATOM 157 CB ARG A 10 -42.064 -1.996 13.037 1.00 0.00 C ATOM 158 CG ARG A 10 -42.618 -3.384 13.364 1.00 0.00 C ATOM 159 CD ARG A 10 -41.486 -4.374 13.645 1.00 0.00 C ATOM 160 NE ARG A 10 -41.815 -5.697 13.069 1.00 0.00 N ATOM 161 CZ ARG A 10 -40.922 -6.679 12.883 1.00 0.00 C ATOM 162 NH1 ARG A 10 -39.641 -6.492 13.226 1.00 0.00 N ATOM 163 NH2 ARG A 10 -41.311 -7.847 12.354 1.00 0.00 N ATOM 0 H ARG A 10 -41.749 0.207 11.937 1.00 0.00 H new ATOM 0 HA ARG A 10 -43.976 -1.406 12.262 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -41.485 -2.040 12.115 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -41.383 -1.677 13.826 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -43.275 -3.322 14.231 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -43.222 -3.744 12.531 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -40.554 -4.004 13.218 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -41.330 -4.465 14.720 1.00 0.00 H new ATOM 0 HE ARG A 10 -42.782 -5.873 12.796 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -39.345 -5.603 13.629 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -38.961 -7.239 13.085 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -42.287 -7.989 12.093 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -40.631 -8.594 12.212 1.00 0.00 H new ATOM 177 N LYS A 11 -43.399 0.526 14.762 1.00 0.00 N ATOM 178 CA LYS A 11 -43.864 0.969 16.065 1.00 0.00 C ATOM 179 C LYS A 11 -44.423 2.388 15.948 1.00 0.00 C ATOM 180 O LYS A 11 -44.147 3.240 16.792 1.00 0.00 O ATOM 181 CB LYS A 11 -42.753 0.829 17.106 1.00 0.00 C ATOM 182 CG LYS A 11 -43.253 0.087 18.347 1.00 0.00 C ATOM 183 CD LYS A 11 -42.143 -0.044 19.393 1.00 0.00 C ATOM 184 CE LYS A 11 -42.241 1.070 20.437 1.00 0.00 C ATOM 185 NZ LYS A 11 -43.116 0.657 21.556 1.00 0.00 N ATOM 0 H LYS A 11 -42.786 1.185 14.281 1.00 0.00 H new ATOM 0 HA LYS A 11 -44.678 0.334 16.415 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -41.909 0.292 16.672 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -42.390 1.817 17.390 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -44.101 0.620 18.777 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -43.609 -0.903 18.064 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -42.213 -1.015 19.884 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -41.170 -0.004 18.903 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -41.247 1.311 20.815 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -42.635 1.975 19.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -43.171 1.425 22.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -44.068 0.450 21.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -42.724 -0.194 22.007 1.00 0.00 H new ATOM 199 N THR A 12 -45.198 2.600 14.894 1.00 0.00 N ATOM 200 CA THR A 12 -45.798 3.902 14.656 1.00 0.00 C ATOM 201 C THR A 12 -44.745 4.889 14.147 1.00 0.00 C ATOM 202 O THR A 12 -43.568 4.775 14.487 1.00 0.00 O ATOM 203 CB THR A 12 -46.479 4.352 15.949 1.00 0.00 C ATOM 204 OG1 THR A 12 -47.293 3.243 16.318 1.00 0.00 O ATOM 205 CG2 THR A 12 -47.480 5.487 15.719 1.00 0.00 C ATOM 0 H THR A 12 -45.424 1.892 14.195 1.00 0.00 H new ATOM 0 HA THR A 12 -46.556 3.852 13.874 1.00 0.00 H new ATOM 0 HB THR A 12 -45.722 4.674 16.664 1.00 0.00 H new ATOM 0 HG1 THR A 12 -47.770 3.449 17.149 1.00 0.00 H new ATOM 0 HG21 THR A 12 -47.935 5.769 16.669 1.00 0.00 H new ATOM 0 HG22 THR A 12 -46.963 6.348 15.295 1.00 0.00 H new ATOM 0 HG23 THR A 12 -48.256 5.154 15.030 1.00 0.00 H new ATOM 213 N VAL A 13 -45.206 5.834 13.342 1.00 0.00 N ATOM 214 CA VAL A 13 -44.318 6.840 12.784 1.00 0.00 C ATOM 215 C VAL A 13 -44.963 8.220 12.932 1.00 0.00 C ATOM 216 O VAL A 13 -46.039 8.348 13.515 1.00 0.00 O ATOM 217 CB VAL A 13 -43.978 6.491 11.334 1.00 0.00 C ATOM 218 CG1 VAL A 13 -45.117 6.889 10.392 1.00 0.00 C ATOM 219 CG2 VAL A 13 -42.662 7.144 10.907 1.00 0.00 C ATOM 0 H VAL A 13 -46.183 5.925 13.062 1.00 0.00 H new ATOM 0 HA VAL A 13 -43.374 6.862 13.328 1.00 0.00 H new ATOM 0 HB VAL A 13 -43.853 5.410 11.271 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -44.849 6.630 9.368 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -46.026 6.358 10.675 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -45.288 7.963 10.462 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -42.444 6.880 9.872 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -42.748 8.227 10.995 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -41.855 6.791 11.550 1.00 0.00 H new ATOM 229 N LYS A 14 -44.277 9.218 12.393 1.00 0.00 N ATOM 230 CA LYS A 14 -44.769 10.584 12.458 1.00 0.00 C ATOM 231 C LYS A 14 -44.946 11.125 11.038 1.00 0.00 C ATOM 232 O LYS A 14 -43.995 11.159 10.259 1.00 0.00 O ATOM 233 CB LYS A 14 -43.853 11.442 13.334 1.00 0.00 C ATOM 234 CG LYS A 14 -44.270 12.914 13.285 1.00 0.00 C ATOM 235 CD LYS A 14 -44.287 13.525 14.686 1.00 0.00 C ATOM 236 CE LYS A 14 -44.860 14.944 14.659 1.00 0.00 C ATOM 237 NZ LYS A 14 -45.754 15.164 15.818 1.00 0.00 N ATOM 0 H LYS A 14 -43.385 9.108 11.910 1.00 0.00 H new ATOM 0 HA LYS A 14 -45.748 10.615 12.936 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -43.888 11.084 14.363 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -42.822 11.341 12.996 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -43.580 13.470 12.650 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -45.259 13.001 12.834 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -44.883 12.901 15.352 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -43.275 13.545 15.090 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -44.048 15.671 14.675 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -45.411 15.103 13.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -46.134 16.131 15.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -46.539 14.482 15.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -45.218 15.033 16.700 1.00 0.00 H new ATOM 251 N CYS A 15 -46.170 11.537 10.743 1.00 0.00 N ATOM 252 CA CYS A 15 -46.484 12.075 9.431 1.00 0.00 C ATOM 253 C CYS A 15 -45.821 13.447 9.303 1.00 0.00 C ATOM 254 O CYS A 15 -46.237 14.405 9.953 1.00 0.00 O ATOM 255 CB CYS A 15 -47.995 12.147 9.196 1.00 0.00 C ATOM 256 SG CYS A 15 -48.335 12.580 7.451 1.00 0.00 S ATOM 0 H CYS A 15 -46.957 11.509 11.391 1.00 0.00 H new ATOM 0 HA CYS A 15 -46.094 11.411 8.660 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -48.455 11.189 9.438 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -48.440 12.891 9.857 1.00 0.00 H new ATOM 261 N PHE A 16 -44.799 13.499 8.461 1.00 0.00 N ATOM 262 CA PHE A 16 -44.073 14.737 8.240 1.00 0.00 C ATOM 263 C PHE A 16 -44.935 15.750 7.483 1.00 0.00 C ATOM 264 O PHE A 16 -44.454 16.814 7.098 1.00 0.00 O ATOM 265 CB PHE A 16 -42.848 14.393 7.391 1.00 0.00 C ATOM 266 CG PHE A 16 -42.336 15.555 6.538 1.00 0.00 C ATOM 267 CD1 PHE A 16 -41.437 16.434 7.055 1.00 0.00 C ATOM 268 CD2 PHE A 16 -42.780 15.708 5.261 1.00 0.00 C ATOM 269 CE1 PHE A 16 -40.962 17.513 6.262 1.00 0.00 C ATOM 270 CE2 PHE A 16 -42.304 16.786 4.468 1.00 0.00 C ATOM 271 CZ PHE A 16 -41.406 17.666 4.986 1.00 0.00 C ATOM 0 H PHE A 16 -44.457 12.703 7.923 1.00 0.00 H new ATOM 0 HA PHE A 16 -43.794 15.180 9.196 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -42.046 14.057 8.048 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -43.095 13.557 6.737 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -41.084 16.312 8.068 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -43.494 15.010 4.850 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -40.248 18.212 6.673 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -42.655 16.907 3.454 1.00 0.00 H new ATOM 0 HZ PHE A 16 -41.045 18.487 4.384 1.00 0.00 H new ATOM 281 N ASN A 17 -46.194 15.383 7.294 1.00 0.00 N ATOM 282 CA ASN A 17 -47.127 16.246 6.590 1.00 0.00 C ATOM 283 C ASN A 17 -48.246 16.666 7.545 1.00 0.00 C ATOM 284 O ASN A 17 -48.201 17.752 8.119 1.00 0.00 O ATOM 285 CB ASN A 17 -47.766 15.517 5.406 1.00 0.00 C ATOM 286 CG ASN A 17 -49.066 16.201 4.977 1.00 0.00 C ATOM 287 OD1 ASN A 17 -49.186 17.415 4.973 1.00 0.00 O ATOM 288 ND2 ASN A 17 -50.027 15.357 4.616 1.00 0.00 N ATOM 0 H ASN A 17 -46.590 14.500 7.616 1.00 0.00 H new ATOM 0 HA ASN A 17 -46.575 17.112 6.225 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -47.069 15.496 4.568 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -47.969 14.481 5.679 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -50.932 15.715 4.312 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -49.859 14.351 4.643 1.00 0.00 H new ATOM 295 N CYS A 18 -49.224 15.783 7.686 1.00 0.00 N ATOM 296 CA CYS A 18 -50.352 16.048 8.562 1.00 0.00 C ATOM 297 C CYS A 18 -49.830 16.162 9.996 1.00 0.00 C ATOM 298 O CYS A 18 -50.430 16.846 10.826 1.00 0.00 O ATOM 299 CB CYS A 18 -51.434 14.975 8.432 1.00 0.00 C ATOM 300 SG CYS A 18 -50.864 13.415 9.199 1.00 0.00 S ATOM 0 H CYS A 18 -49.258 14.883 7.208 1.00 0.00 H new ATOM 0 HA CYS A 18 -50.827 16.986 8.274 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -52.352 15.312 8.913 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -51.668 14.809 7.381 1.00 0.00 H new ATOM 305 N GLY A 19 -48.720 15.483 10.244 1.00 0.00 N ATOM 306 CA GLY A 19 -48.112 15.500 11.563 1.00 0.00 C ATOM 307 C GLY A 19 -48.532 14.274 12.377 1.00 0.00 C ATOM 308 O GLY A 19 -47.737 13.730 13.142 1.00 0.00 O ATOM 0 H GLY A 19 -48.226 14.918 9.554 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -47.027 15.522 11.467 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -48.404 16.408 12.090 1.00 0.00 H new ATOM 312 N LYS A 20 -49.781 13.874 12.182 1.00 0.00 N ATOM 313 CA LYS A 20 -50.315 12.722 12.888 1.00 0.00 C ATOM 314 C LYS A 20 -49.354 11.542 12.731 1.00 0.00 C ATOM 315 O LYS A 20 -48.681 11.416 11.710 1.00 0.00 O ATOM 316 CB LYS A 20 -51.740 12.421 12.420 1.00 0.00 C ATOM 317 CG LYS A 20 -52.758 12.742 13.516 1.00 0.00 C ATOM 318 CD LYS A 20 -52.847 11.602 14.532 1.00 0.00 C ATOM 319 CE LYS A 20 -54.205 10.901 14.450 1.00 0.00 C ATOM 320 NZ LYS A 20 -54.164 9.607 15.167 1.00 0.00 N ATOM 0 H LYS A 20 -50.437 14.327 11.546 1.00 0.00 H new ATOM 0 HA LYS A 20 -50.392 12.931 13.955 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -51.964 13.006 11.528 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -51.820 11.370 12.141 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -52.474 13.664 14.023 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -53.737 12.913 13.069 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -52.050 10.882 14.347 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -52.696 11.994 15.538 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -54.977 11.538 14.882 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -54.474 10.737 13.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -55.093 9.144 15.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -53.441 8.995 14.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -53.929 9.771 16.167 1.00 0.00 H new ATOM 334 N GLU A 21 -49.321 10.707 13.760 1.00 0.00 N ATOM 335 CA GLU A 21 -48.453 9.541 13.749 1.00 0.00 C ATOM 336 C GLU A 21 -49.216 8.317 13.240 1.00 0.00 C ATOM 337 O GLU A 21 -50.444 8.330 13.170 1.00 0.00 O ATOM 338 CB GLU A 21 -47.866 9.283 15.139 1.00 0.00 C ATOM 339 CG GLU A 21 -48.933 9.445 16.224 1.00 0.00 C ATOM 340 CD GLU A 21 -48.870 10.838 16.851 1.00 0.00 C ATOM 341 OE1 GLU A 21 -49.340 11.783 16.182 1.00 0.00 O ATOM 342 OE2 GLU A 21 -48.353 10.927 17.986 1.00 0.00 O ATOM 0 H GLU A 21 -49.881 10.815 14.606 1.00 0.00 H new ATOM 0 HA GLU A 21 -47.623 9.735 13.070 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -47.450 8.276 15.181 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -47.045 9.975 15.325 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -49.921 9.280 15.795 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -48.790 8.688 16.995 1.00 0.00 H new ATOM 349 N GLY A 22 -48.456 7.287 12.897 1.00 0.00 N ATOM 350 CA GLY A 22 -49.045 6.057 12.397 1.00 0.00 C ATOM 351 C GLY A 22 -48.618 5.793 10.951 1.00 0.00 C ATOM 352 O GLY A 22 -48.464 4.643 10.545 1.00 0.00 O ATOM 0 H GLY A 22 -47.438 7.279 12.956 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -48.742 5.222 13.028 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -50.132 6.121 12.453 1.00 0.00 H new ATOM 356 N HIS A 23 -48.441 6.880 10.213 1.00 0.00 N ATOM 357 CA HIS A 23 -48.035 6.782 8.821 1.00 0.00 C ATOM 358 C HIS A 23 -47.166 7.986 8.454 1.00 0.00 C ATOM 359 O HIS A 23 -46.869 8.824 9.303 1.00 0.00 O ATOM 360 CB HIS A 23 -49.254 6.629 7.910 1.00 0.00 C ATOM 361 CG HIS A 23 -50.131 7.857 7.849 1.00 0.00 C ATOM 362 ND1 HIS A 23 -51.280 7.995 8.608 1.00 0.00 N ATOM 363 CD2 HIS A 23 -50.017 9.000 7.112 1.00 0.00 C ATOM 364 CE1 HIS A 23 -51.824 9.172 8.333 1.00 0.00 C ATOM 365 NE2 HIS A 23 -51.040 9.793 7.405 1.00 0.00 N ATOM 0 H HIS A 23 -48.571 7.833 10.553 1.00 0.00 H new ATOM 0 HA HIS A 23 -47.432 5.886 8.676 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -48.914 6.387 6.903 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -49.851 5.785 8.257 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -51.646 7.308 9.267 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -49.228 9.222 6.409 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -52.729 9.570 8.767 1.00 0.00 H new ATOM 373 N ILE A 24 -46.781 8.032 7.186 1.00 0.00 N ATOM 374 CA ILE A 24 -45.952 9.120 6.695 1.00 0.00 C ATOM 375 C ILE A 24 -46.688 9.849 5.569 1.00 0.00 C ATOM 376 O ILE A 24 -47.592 9.290 4.950 1.00 0.00 O ATOM 377 CB ILE A 24 -44.571 8.600 6.292 1.00 0.00 C ATOM 378 CG1 ILE A 24 -44.690 7.417 5.330 1.00 0.00 C ATOM 379 CG2 ILE A 24 -43.733 8.255 7.525 1.00 0.00 C ATOM 380 CD1 ILE A 24 -43.310 6.947 4.865 1.00 0.00 C ATOM 0 H ILE A 24 -47.028 7.334 6.485 1.00 0.00 H new ATOM 0 HA ILE A 24 -45.775 9.850 7.484 1.00 0.00 H new ATOM 0 HB ILE A 24 -44.048 9.395 5.761 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -45.211 6.595 5.821 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -45.290 7.705 4.467 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -42.756 7.888 7.210 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -43.605 9.147 8.139 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -44.240 7.485 8.106 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -43.423 6.105 4.182 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -42.801 7.764 4.353 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -42.721 6.637 5.728 1.00 0.00 H new ATOM 392 N ALA A 25 -46.273 11.085 5.338 1.00 0.00 N ATOM 393 CA ALA A 25 -46.882 11.897 4.297 1.00 0.00 C ATOM 394 C ALA A 25 -46.830 11.138 2.970 1.00 0.00 C ATOM 395 O ALA A 25 -47.762 11.213 2.171 1.00 0.00 O ATOM 396 CB ALA A 25 -46.172 13.250 4.224 1.00 0.00 C ATOM 0 H ALA A 25 -45.522 11.545 5.853 1.00 0.00 H new ATOM 0 HA ALA A 25 -47.930 12.092 4.525 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -46.628 13.859 3.444 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -46.263 13.761 5.183 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -45.118 13.096 3.994 1.00 0.00 H new ATOM 402 N LYS A 26 -45.731 10.425 2.775 1.00 0.00 N ATOM 403 CA LYS A 26 -45.545 9.652 1.558 1.00 0.00 C ATOM 404 C LYS A 26 -46.862 8.968 1.188 1.00 0.00 C ATOM 405 O LYS A 26 -47.124 8.714 0.013 1.00 0.00 O ATOM 406 CB LYS A 26 -44.371 8.683 1.712 1.00 0.00 C ATOM 407 CG LYS A 26 -44.824 7.237 1.507 1.00 0.00 C ATOM 408 CD LYS A 26 -43.650 6.267 1.660 1.00 0.00 C ATOM 409 CE LYS A 26 -42.341 6.915 1.206 1.00 0.00 C ATOM 410 NZ LYS A 26 -42.406 7.267 -0.230 1.00 0.00 N ATOM 0 H LYS A 26 -44.959 10.366 3.439 1.00 0.00 H new ATOM 0 HA LYS A 26 -45.280 10.307 0.728 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -43.593 8.930 0.989 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -43.931 8.793 2.703 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -45.601 6.990 2.230 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -45.264 7.127 0.516 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -43.564 5.956 2.701 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -43.838 5.368 1.073 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -42.148 7.810 1.797 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -41.510 6.231 1.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -41.713 6.700 -0.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -43.361 7.072 -0.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -42.190 8.277 -0.350 1.00 0.00 H new ATOM 424 N ASN A 27 -47.657 8.691 2.210 1.00 0.00 N ATOM 425 CA ASN A 27 -48.940 8.042 2.007 1.00 0.00 C ATOM 426 C ASN A 27 -49.912 8.486 3.102 1.00 0.00 C ATOM 427 O ASN A 27 -50.460 7.656 3.825 1.00 0.00 O ATOM 428 CB ASN A 27 -48.806 6.519 2.084 1.00 0.00 C ATOM 429 CG ASN A 27 -47.629 6.117 2.974 1.00 0.00 C ATOM 430 OD1 ASN A 27 -47.565 6.786 4.122 1.00 0.00 O flip ATOM 431 ND2 ASN A 27 -46.831 5.256 2.642 1.00 0.00 N flip ATOM 0 H ASN A 27 -47.437 8.905 3.183 1.00 0.00 H new ATOM 0 HA ASN A 27 -49.306 8.323 1.020 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -49.727 6.089 2.477 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -48.665 6.112 1.083 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -46.937 4.780 1.746 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -46.057 5.012 3.260 1.00 0.00 H new ATOM 438 N CYS A 28 -50.096 9.796 3.188 1.00 0.00 N ATOM 439 CA CYS A 28 -50.992 10.361 4.183 1.00 0.00 C ATOM 440 C CYS A 28 -52.430 10.045 3.768 1.00 0.00 C ATOM 441 O CYS A 28 -52.728 9.938 2.580 1.00 0.00 O ATOM 442 CB CYS A 28 -50.765 11.864 4.359 1.00 0.00 C ATOM 443 SG CYS A 28 -51.901 12.523 5.633 1.00 0.00 S ATOM 0 H CYS A 28 -49.640 10.481 2.586 1.00 0.00 H new ATOM 0 HA CYS A 28 -50.789 9.913 5.156 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -49.731 12.053 4.649 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -50.929 12.378 3.412 1.00 0.00 H new ATOM 448 N ARG A 29 -53.284 9.907 4.772 1.00 0.00 N ATOM 449 CA ARG A 29 -54.685 9.606 4.526 1.00 0.00 C ATOM 450 C ARG A 29 -55.569 10.748 5.031 1.00 0.00 C ATOM 451 O ARG A 29 -56.676 10.513 5.516 1.00 0.00 O ATOM 452 CB ARG A 29 -55.098 8.305 5.218 1.00 0.00 C ATOM 453 CG ARG A 29 -55.656 7.301 4.207 1.00 0.00 C ATOM 454 CD ARG A 29 -56.478 6.217 4.908 1.00 0.00 C ATOM 455 NE ARG A 29 -57.822 6.737 5.245 1.00 0.00 N ATOM 456 CZ ARG A 29 -58.893 5.963 5.464 1.00 0.00 C ATOM 457 NH1 ARG A 29 -58.784 4.630 5.384 1.00 0.00 N ATOM 458 NH2 ARG A 29 -60.074 6.523 5.763 1.00 0.00 N ATOM 0 H ARG A 29 -53.033 9.998 5.757 1.00 0.00 H new ATOM 0 HA ARG A 29 -54.816 9.489 3.450 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -54.238 7.872 5.730 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -55.849 8.516 5.979 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -56.279 7.821 3.479 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -54.836 6.841 3.655 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -56.569 5.344 4.262 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -55.968 5.892 5.814 1.00 0.00 H new ATOM 0 HE ARG A 29 -57.940 7.748 5.315 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -57.885 4.205 5.156 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -59.600 4.041 5.551 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -60.156 7.538 5.824 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -60.890 5.934 5.930 1.00 0.00 H new ATOM 472 N ALA A 30 -55.049 11.959 4.901 1.00 0.00 N ATOM 473 CA ALA A 30 -55.778 13.138 5.338 1.00 0.00 C ATOM 474 C ALA A 30 -57.249 12.997 4.944 1.00 0.00 C ATOM 475 O ALA A 30 -57.563 12.461 3.882 1.00 0.00 O ATOM 476 CB ALA A 30 -55.131 14.389 4.741 1.00 0.00 C ATOM 0 H ALA A 30 -54.131 12.150 4.499 1.00 0.00 H new ATOM 0 HA ALA A 30 -55.735 13.236 6.423 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -55.678 15.273 5.069 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -54.096 14.458 5.075 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -55.158 14.329 3.653 1.00 0.00 H new ATOM 482 N PRO A 31 -58.136 13.502 5.844 1.00 0.00 N ATOM 483 CA PRO A 31 -59.567 13.438 5.600 1.00 0.00 C ATOM 484 C PRO A 31 -59.992 14.468 4.552 1.00 0.00 C ATOM 485 O PRO A 31 -60.944 15.218 4.762 1.00 0.00 O ATOM 486 CB PRO A 31 -60.208 13.674 6.958 1.00 0.00 C ATOM 487 CG PRO A 31 -59.134 14.320 7.819 1.00 0.00 C ATOM 488 CD PRO A 31 -57.801 14.144 7.111 1.00 0.00 C ATOM 0 HA PRO A 31 -59.880 12.479 5.187 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -61.081 14.321 6.871 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -60.549 12.737 7.397 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -59.350 15.378 7.969 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -59.106 13.857 8.806 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -57.308 15.103 6.951 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -57.119 13.529 7.698 1.00 0.00 H new ATOM 496 N ARG A 32 -59.264 14.473 3.445 1.00 0.00 N ATOM 497 CA ARG A 32 -59.553 15.399 2.362 1.00 0.00 C ATOM 498 C ARG A 32 -58.650 15.111 1.161 1.00 0.00 C ATOM 499 O ARG A 32 -57.487 14.744 1.328 1.00 0.00 O ATOM 500 CB ARG A 32 -59.350 16.848 2.809 1.00 0.00 C ATOM 501 CG ARG A 32 -60.679 17.604 2.839 1.00 0.00 C ATOM 502 CD ARG A 32 -61.115 17.890 4.278 1.00 0.00 C ATOM 503 NE ARG A 32 -62.497 17.407 4.493 1.00 0.00 N ATOM 504 CZ ARG A 32 -63.041 17.202 5.700 1.00 0.00 C ATOM 505 NH1 ARG A 32 -62.324 17.439 6.807 1.00 0.00 N ATOM 506 NH2 ARG A 32 -64.303 16.762 5.801 1.00 0.00 N ATOM 0 H ARG A 32 -58.474 13.851 3.274 1.00 0.00 H new ATOM 0 HA ARG A 32 -60.596 15.261 2.077 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -58.895 16.866 3.799 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -58.658 17.348 2.131 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -60.581 18.542 2.292 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -61.446 17.018 2.332 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -60.437 17.400 4.977 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -61.060 18.960 4.478 1.00 0.00 H new ATOM 0 HE ARG A 32 -63.071 17.218 3.671 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -61.364 17.775 6.731 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -62.738 17.283 7.726 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -64.850 16.583 4.959 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -64.717 16.606 6.720 1.00 0.00 H new ATOM 520 N LYS A 33 -59.218 15.288 -0.022 1.00 0.00 N ATOM 521 CA LYS A 33 -58.479 15.051 -1.250 1.00 0.00 C ATOM 522 C LYS A 33 -57.451 16.169 -1.445 1.00 0.00 C ATOM 523 O LYS A 33 -56.251 15.908 -1.508 1.00 0.00 O ATOM 524 CB LYS A 33 -59.439 14.887 -2.430 1.00 0.00 C ATOM 525 CG LYS A 33 -59.731 13.409 -2.698 1.00 0.00 C ATOM 526 CD LYS A 33 -58.817 12.859 -3.795 1.00 0.00 C ATOM 527 CE LYS A 33 -59.223 11.437 -4.185 1.00 0.00 C ATOM 528 NZ LYS A 33 -59.082 11.239 -5.645 1.00 0.00 N ATOM 0 H LYS A 33 -60.182 15.593 -0.157 1.00 0.00 H new ATOM 0 HA LYS A 33 -57.925 14.114 -1.187 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -60.370 15.413 -2.222 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -59.007 15.343 -3.321 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -59.591 12.835 -1.782 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -60.773 13.288 -2.994 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -58.863 13.507 -4.670 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -57.784 12.864 -3.449 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -58.602 10.716 -3.653 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -60.254 11.252 -3.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -59.362 10.268 -5.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -59.693 11.914 -6.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -58.092 11.395 -5.923 1.00 0.00 H new ATOM 542 N LYS A 34 -57.960 17.388 -1.534 1.00 0.00 N ATOM 543 CA LYS A 34 -57.102 18.545 -1.720 1.00 0.00 C ATOM 544 C LYS A 34 -57.462 19.614 -0.686 1.00 0.00 C ATOM 545 O LYS A 34 -58.578 20.131 -0.687 1.00 0.00 O ATOM 546 CB LYS A 34 -57.175 19.040 -3.167 1.00 0.00 C ATOM 547 CG LYS A 34 -56.001 18.505 -3.989 1.00 0.00 C ATOM 548 CD LYS A 34 -56.223 18.746 -5.483 1.00 0.00 C ATOM 549 CE LYS A 34 -54.914 19.124 -6.179 1.00 0.00 C ATOM 550 NZ LYS A 34 -54.862 20.581 -6.430 1.00 0.00 N ATOM 0 H LYS A 34 -58.956 17.600 -1.481 1.00 0.00 H new ATOM 0 HA LYS A 34 -56.059 18.276 -1.551 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -58.115 18.720 -3.618 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -57.168 20.130 -3.183 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -55.079 18.991 -3.672 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -55.879 17.438 -3.803 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -56.637 17.848 -5.942 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -56.955 19.541 -5.622 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -54.067 18.825 -5.561 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -54.827 18.583 -7.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -53.967 20.820 -6.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -55.659 20.857 -7.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -54.923 21.091 -5.526 1.00 0.00 H new ATOM 564 N GLY A 35 -56.496 19.912 0.170 1.00 0.00 N ATOM 565 CA GLY A 35 -56.698 20.910 1.208 1.00 0.00 C ATOM 566 C GLY A 35 -55.386 21.624 1.543 1.00 0.00 C ATOM 567 O GLY A 35 -54.313 21.031 1.458 1.00 0.00 O ATOM 0 H GLY A 35 -55.572 19.481 0.167 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -57.439 21.638 0.878 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -57.096 20.433 2.104 1.00 0.00 H new ATOM 571 N CYS A 36 -55.519 22.888 1.917 1.00 0.00 N ATOM 572 CA CYS A 36 -54.357 23.690 2.266 1.00 0.00 C ATOM 573 C CYS A 36 -53.880 23.265 3.656 1.00 0.00 C ATOM 574 O CYS A 36 -54.509 23.594 4.660 1.00 0.00 O ATOM 575 CB CYS A 36 -54.664 25.187 2.201 1.00 0.00 C ATOM 576 SG CYS A 36 -53.142 26.152 2.517 1.00 0.00 S ATOM 0 H CYS A 36 -56.412 23.377 1.986 1.00 0.00 H new ATOM 0 HA CYS A 36 -53.561 23.517 1.542 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -55.069 25.441 1.222 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -55.426 25.443 2.937 1.00 0.00 H new ATOM 581 N TRP A 37 -52.771 22.539 3.670 1.00 0.00 N ATOM 582 CA TRP A 37 -52.203 22.066 4.920 1.00 0.00 C ATOM 583 C TRP A 37 -51.259 23.148 5.450 1.00 0.00 C ATOM 584 O TRP A 37 -50.474 22.898 6.364 1.00 0.00 O ATOM 585 CB TRP A 37 -51.515 20.712 4.732 1.00 0.00 C ATOM 586 CG TRP A 37 -50.011 20.733 5.013 1.00 0.00 C ATOM 587 CD1 TRP A 37 -49.355 20.169 6.036 1.00 0.00 C ATOM 588 CD2 TRP A 37 -48.997 21.376 4.213 1.00 0.00 C ATOM 589 NE1 TRP A 37 -47.997 20.402 5.955 1.00 0.00 N ATOM 590 CE2 TRP A 37 -47.772 21.158 4.811 1.00 0.00 C ATOM 591 CE3 TRP A 37 -49.109 22.117 3.023 1.00 0.00 C ATOM 592 CZ2 TRP A 37 -46.568 21.648 4.293 1.00 0.00 C ATOM 593 CZ3 TRP A 37 -47.896 22.600 2.518 1.00 0.00 C ATOM 594 CH2 TRP A 37 -46.656 22.389 3.108 1.00 0.00 C ATOM 0 H TRP A 37 -52.251 22.267 2.835 1.00 0.00 H new ATOM 0 HA TRP A 37 -52.986 21.895 5.659 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -51.987 19.982 5.390 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -51.678 20.372 3.709 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -49.829 19.603 6.825 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -47.289 20.079 6.614 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -50.056 22.299 2.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -45.622 21.465 4.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -47.926 23.177 1.606 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -45.764 22.795 2.655 1.00 0.00 H new ATOM 605 N LYS A 38 -51.365 24.324 4.853 1.00 0.00 N ATOM 606 CA LYS A 38 -50.530 25.445 5.253 1.00 0.00 C ATOM 607 C LYS A 38 -51.337 26.380 6.155 1.00 0.00 C ATOM 608 O LYS A 38 -50.797 26.958 7.096 1.00 0.00 O ATOM 609 CB LYS A 38 -49.937 26.137 4.023 1.00 0.00 C ATOM 610 CG LYS A 38 -48.934 27.217 4.432 1.00 0.00 C ATOM 611 CD LYS A 38 -47.500 26.690 4.351 1.00 0.00 C ATOM 612 CE LYS A 38 -46.689 27.113 5.578 1.00 0.00 C ATOM 613 NZ LYS A 38 -45.732 26.051 5.959 1.00 0.00 N ATOM 0 H LYS A 38 -52.016 24.527 4.095 1.00 0.00 H new ATOM 0 HA LYS A 38 -49.678 25.096 5.836 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -49.445 25.400 3.389 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -50.736 26.583 3.432 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -49.044 28.085 3.782 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -49.146 27.550 5.448 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -47.512 25.603 4.276 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -47.021 27.066 3.447 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -46.150 28.036 5.364 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -47.361 27.321 6.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -45.190 26.355 6.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -46.252 25.179 6.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -45.080 25.872 5.169 1.00 0.00 H new ATOM 627 N CYS A 39 -52.618 26.499 5.836 1.00 0.00 N ATOM 628 CA CYS A 39 -53.505 27.354 6.607 1.00 0.00 C ATOM 629 C CYS A 39 -54.491 26.463 7.366 1.00 0.00 C ATOM 630 O CYS A 39 -54.743 26.678 8.550 1.00 0.00 O ATOM 631 CB CYS A 39 -54.222 28.371 5.719 1.00 0.00 C ATOM 632 SG CYS A 39 -55.253 27.505 4.480 1.00 0.00 S ATOM 0 H CYS A 39 -53.063 26.018 5.054 1.00 0.00 H new ATOM 0 HA CYS A 39 -52.923 27.939 7.319 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -54.845 29.024 6.330 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -53.492 29.006 5.217 1.00 0.00 H new ATOM 637 N GLY A 40 -55.022 25.481 6.652 1.00 0.00 N ATOM 638 CA GLY A 40 -55.975 24.557 7.242 1.00 0.00 C ATOM 639 C GLY A 40 -57.359 24.718 6.610 1.00 0.00 C ATOM 640 O GLY A 40 -58.375 24.480 7.262 1.00 0.00 O ATOM 0 H GLY A 40 -54.810 25.305 5.670 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -55.626 23.533 7.106 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -56.039 24.732 8.316 1.00 0.00 H new ATOM 644 N LYS A 41 -57.355 25.121 5.348 1.00 0.00 N ATOM 645 CA LYS A 41 -58.598 25.317 4.621 1.00 0.00 C ATOM 646 C LYS A 41 -58.641 24.361 3.427 1.00 0.00 C ATOM 647 O LYS A 41 -57.756 24.389 2.572 1.00 0.00 O ATOM 648 CB LYS A 41 -58.768 26.787 4.237 1.00 0.00 C ATOM 649 CG LYS A 41 -59.816 27.467 5.120 1.00 0.00 C ATOM 650 CD LYS A 41 -59.355 28.864 5.543 1.00 0.00 C ATOM 651 CE LYS A 41 -60.258 29.943 4.943 1.00 0.00 C ATOM 652 NZ LYS A 41 -59.972 30.116 3.501 1.00 0.00 N ATOM 0 H LYS A 41 -56.511 25.317 4.810 1.00 0.00 H new ATOM 0 HA LYS A 41 -59.452 25.076 5.254 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -57.814 27.305 4.335 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -59.065 26.861 3.191 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -60.760 27.540 4.580 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -60.001 26.858 6.005 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -59.364 28.940 6.630 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -58.326 29.025 5.221 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -61.304 29.669 5.082 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -60.104 30.887 5.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -60.594 30.852 3.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -58.979 30.399 3.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -60.142 29.219 3.003 1.00 0.00 H new ATOM 666 N GLU A 42 -59.678 23.536 3.405 1.00 0.00 N ATOM 667 CA GLU A 42 -59.847 22.573 2.331 1.00 0.00 C ATOM 668 C GLU A 42 -60.356 23.272 1.068 1.00 0.00 C ATOM 669 O GLU A 42 -60.923 24.361 1.142 1.00 0.00 O ATOM 670 CB GLU A 42 -60.791 21.444 2.750 1.00 0.00 C ATOM 671 CG GLU A 42 -62.217 21.964 2.940 1.00 0.00 C ATOM 672 CD GLU A 42 -63.001 21.072 3.905 1.00 0.00 C ATOM 673 OE1 GLU A 42 -62.930 19.838 3.722 1.00 0.00 O ATOM 674 OE2 GLU A 42 -63.654 21.645 4.804 1.00 0.00 O ATOM 0 H GLU A 42 -60.410 23.515 4.115 1.00 0.00 H new ATOM 0 HA GLU A 42 -58.876 22.128 2.112 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -60.784 20.660 1.993 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -60.437 20.995 3.678 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -62.188 22.984 3.324 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -62.726 22.000 1.977 1.00 0.00 H new ATOM 681 N GLY A 43 -60.133 22.618 -0.062 1.00 0.00 N ATOM 682 CA GLY A 43 -60.561 23.162 -1.340 1.00 0.00 C ATOM 683 C GLY A 43 -59.365 23.670 -2.148 1.00 0.00 C ATOM 684 O GLY A 43 -59.407 23.693 -3.377 1.00 0.00 O ATOM 0 H GLY A 43 -59.661 21.716 -0.120 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -61.088 22.395 -1.907 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -61.265 23.977 -1.175 1.00 0.00 H new ATOM 688 N HIS A 44 -58.328 24.064 -1.425 1.00 0.00 N ATOM 689 CA HIS A 44 -57.122 24.569 -2.059 1.00 0.00 C ATOM 690 C HIS A 44 -55.892 23.945 -1.396 1.00 0.00 C ATOM 691 O HIS A 44 -56.021 23.107 -0.505 1.00 0.00 O ATOM 692 CB HIS A 44 -57.097 26.100 -2.035 1.00 0.00 C ATOM 693 CG HIS A 44 -56.704 26.686 -0.700 1.00 0.00 C ATOM 694 ND1 HIS A 44 -57.553 26.696 0.393 1.00 0.00 N ATOM 695 CD2 HIS A 44 -55.546 27.281 -0.293 1.00 0.00 C ATOM 696 CE1 HIS A 44 -56.924 27.274 1.406 1.00 0.00 C ATOM 697 NE2 HIS A 44 -55.680 27.637 0.979 1.00 0.00 N ATOM 0 H HIS A 44 -58.298 24.044 -0.406 1.00 0.00 H new ATOM 0 HA HIS A 44 -57.110 24.279 -3.110 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -56.400 26.454 -2.795 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -58.084 26.474 -2.308 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -58.502 26.322 0.415 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -54.668 27.436 -0.903 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -57.326 27.430 2.396 1.00 0.00 H new ATOM 705 N GLN A 45 -54.728 24.378 -1.857 1.00 0.00 N ATOM 706 CA GLN A 45 -53.476 23.872 -1.319 1.00 0.00 C ATOM 707 C GLN A 45 -52.565 25.032 -0.917 1.00 0.00 C ATOM 708 O GLN A 45 -52.875 26.193 -1.182 1.00 0.00 O ATOM 709 CB GLN A 45 -52.781 22.951 -2.324 1.00 0.00 C ATOM 710 CG GLN A 45 -52.208 23.751 -3.495 1.00 0.00 C ATOM 711 CD GLN A 45 -50.756 23.355 -3.771 1.00 0.00 C ATOM 712 OE1 GLN A 45 -49.918 23.314 -2.886 1.00 0.00 O ATOM 713 NE2 GLN A 45 -50.506 23.069 -5.046 1.00 0.00 N ATOM 0 H GLN A 45 -54.625 25.073 -2.596 1.00 0.00 H new ATOM 0 HA GLN A 45 -53.696 23.283 -0.428 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -51.981 22.403 -1.827 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -53.490 22.212 -2.696 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -52.811 23.580 -4.387 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -52.262 24.817 -3.273 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -51.254 23.123 -5.737 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -49.566 22.795 -5.332 1.00 0.00 H new ATOM 722 N MET A 46 -51.456 24.679 -0.282 1.00 0.00 N ATOM 723 CA MET A 46 -50.496 25.676 0.160 1.00 0.00 C ATOM 724 C MET A 46 -50.060 26.571 -1.003 1.00 0.00 C ATOM 725 O MET A 46 -50.103 27.796 -0.897 1.00 0.00 O ATOM 726 CB MET A 46 -49.272 24.978 0.755 1.00 0.00 C ATOM 727 CG MET A 46 -48.302 25.994 1.363 1.00 0.00 C ATOM 728 SD MET A 46 -47.076 26.467 0.156 1.00 0.00 S ATOM 729 CE MET A 46 -45.789 25.293 0.546 1.00 0.00 C ATOM 0 H MET A 46 -51.201 23.716 -0.063 1.00 0.00 H new ATOM 0 HA MET A 46 -50.971 26.301 0.916 1.00 0.00 H new ATOM 0 HB2 MET A 46 -49.589 24.270 1.520 1.00 0.00 H new ATOM 0 HB3 MET A 46 -48.764 24.404 -0.020 1.00 0.00 H new ATOM 0 HG2 MET A 46 -48.849 26.874 1.701 1.00 0.00 H new ATOM 0 HG3 MET A 46 -47.815 25.565 2.239 1.00 0.00 H new ATOM 0 HE1 MET A 46 -44.940 25.449 -0.120 1.00 0.00 H new ATOM 0 HE2 MET A 46 -45.470 25.432 1.579 1.00 0.00 H new ATOM 0 HE3 MET A 46 -46.170 24.280 0.417 1.00 0.00 H new ATOM 739 N LYS A 47 -49.651 25.924 -2.084 1.00 0.00 N ATOM 740 CA LYS A 47 -49.207 26.645 -3.264 1.00 0.00 C ATOM 741 C LYS A 47 -50.367 27.478 -3.814 1.00 0.00 C ATOM 742 O LYS A 47 -50.169 28.332 -4.676 1.00 0.00 O ATOM 743 CB LYS A 47 -48.604 25.680 -4.287 1.00 0.00 C ATOM 744 CG LYS A 47 -47.512 24.819 -3.650 1.00 0.00 C ATOM 745 CD LYS A 47 -46.889 23.874 -4.680 1.00 0.00 C ATOM 746 CE LYS A 47 -45.549 24.416 -5.181 1.00 0.00 C ATOM 747 NZ LYS A 47 -44.456 23.470 -4.863 1.00 0.00 N ATOM 0 H LYS A 47 -49.618 24.908 -2.167 1.00 0.00 H new ATOM 0 HA LYS A 47 -48.408 27.340 -3.007 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -49.387 25.039 -4.693 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -48.187 26.243 -5.122 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -46.740 25.460 -3.225 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -47.933 24.240 -2.828 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -46.744 22.890 -4.235 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -47.571 23.746 -5.521 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -45.595 24.579 -6.258 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -45.346 25.383 -4.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -43.734 23.510 -5.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -44.027 23.729 -3.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -44.839 22.505 -4.803 1.00 0.00 H new ATOM 761 N ASP A 48 -51.553 27.199 -3.291 1.00 0.00 N ATOM 762 CA ASP A 48 -52.745 27.912 -3.719 1.00 0.00 C ATOM 763 C ASP A 48 -53.367 28.624 -2.516 1.00 0.00 C ATOM 764 O ASP A 48 -54.559 28.927 -2.517 1.00 0.00 O ATOM 765 CB ASP A 48 -53.788 26.948 -4.288 1.00 0.00 C ATOM 766 CG ASP A 48 -54.492 27.433 -5.558 1.00 0.00 C ATOM 767 OD1 ASP A 48 -53.868 27.310 -6.634 1.00 0.00 O ATOM 768 OD2 ASP A 48 -55.636 27.915 -5.422 1.00 0.00 O ATOM 0 H ASP A 48 -51.713 26.490 -2.576 1.00 0.00 H new ATOM 0 HA ASP A 48 -52.453 28.625 -4.490 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -53.303 25.996 -4.501 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -54.541 26.758 -3.523 1.00 0.00 H new ATOM 773 N CYS A 49 -52.531 28.873 -1.518 1.00 0.00 N ATOM 774 CA CYS A 49 -52.983 29.544 -0.312 1.00 0.00 C ATOM 775 C CYS A 49 -53.239 31.014 -0.648 1.00 0.00 C ATOM 776 O CYS A 49 -52.681 31.541 -1.609 1.00 0.00 O ATOM 777 CB CYS A 49 -51.981 29.385 0.834 1.00 0.00 C ATOM 778 SG CYS A 49 -52.764 29.855 2.419 1.00 0.00 S ATOM 0 H CYS A 49 -51.542 28.622 -1.521 1.00 0.00 H new ATOM 0 HA CYS A 49 -53.908 29.086 0.037 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -51.633 28.353 0.883 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -51.106 30.009 0.652 1.00 0.00 H new ATOM 783 N THR A 50 -54.084 31.635 0.163 1.00 0.00 N ATOM 784 CA THR A 50 -54.421 33.034 -0.037 1.00 0.00 C ATOM 785 C THR A 50 -54.634 33.728 1.310 1.00 0.00 C ATOM 786 O THR A 50 -55.295 34.764 1.381 1.00 0.00 O ATOM 787 CB THR A 50 -55.642 33.101 -0.956 1.00 0.00 C ATOM 788 OG1 THR A 50 -55.975 34.485 -0.992 1.00 0.00 O ATOM 789 CG2 THR A 50 -56.876 32.437 -0.339 1.00 0.00 C ATOM 0 H THR A 50 -54.545 31.195 0.959 1.00 0.00 H new ATOM 0 HA THR A 50 -53.605 33.572 -0.519 1.00 0.00 H new ATOM 0 HB THR A 50 -55.407 32.621 -1.906 1.00 0.00 H new ATOM 0 HG1 THR A 50 -56.198 34.791 -0.088 1.00 0.00 H new ATOM 0 HG21 THR A 50 -57.714 32.512 -1.032 1.00 0.00 H new ATOM 0 HG22 THR A 50 -56.663 31.387 -0.140 1.00 0.00 H new ATOM 0 HG23 THR A 50 -57.131 32.939 0.595 1.00 0.00 H new ATOM 797 N GLU A 51 -54.064 33.129 2.346 1.00 0.00 N ATOM 798 CA GLU A 51 -54.184 33.677 3.686 1.00 0.00 C ATOM 799 C GLU A 51 -53.160 34.795 3.896 1.00 0.00 C ATOM 800 O GLU A 51 -53.442 35.779 4.579 1.00 0.00 O ATOM 801 CB GLU A 51 -54.025 32.582 4.741 1.00 0.00 C ATOM 802 CG GLU A 51 -52.582 32.075 4.792 1.00 0.00 C ATOM 803 CD GLU A 51 -51.780 32.813 5.867 1.00 0.00 C ATOM 804 OE1 GLU A 51 -52.137 33.978 6.142 1.00 0.00 O ATOM 805 OE2 GLU A 51 -50.826 32.194 6.389 1.00 0.00 O ATOM 0 H GLU A 51 -53.518 32.270 2.284 1.00 0.00 H new ATOM 0 HA GLU A 51 -55.182 34.100 3.797 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -54.313 32.969 5.718 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -54.697 31.754 4.515 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -52.576 31.005 4.999 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -52.109 32.215 3.820 1.00 0.00 H new ATOM 812 N ARG A 52 -51.995 34.607 3.296 1.00 0.00 N ATOM 813 CA ARG A 52 -50.927 35.586 3.409 1.00 0.00 C ATOM 814 C ARG A 52 -51.489 37.003 3.263 1.00 0.00 C ATOM 815 O ARG A 52 -51.797 37.441 2.156 1.00 0.00 O ATOM 816 CB ARG A 52 -49.855 35.359 2.342 1.00 0.00 C ATOM 817 CG ARG A 52 -48.572 36.120 2.683 1.00 0.00 C ATOM 818 CD ARG A 52 -48.271 37.187 1.629 1.00 0.00 C ATOM 819 NE ARG A 52 -46.831 37.169 1.287 1.00 0.00 N ATOM 820 CZ ARG A 52 -46.187 38.184 0.695 1.00 0.00 C ATOM 821 NH1 ARG A 52 -46.850 39.303 0.376 1.00 0.00 N ATOM 822 NH2 ARG A 52 -44.879 38.079 0.422 1.00 0.00 N ATOM 0 H ARG A 52 -51.766 33.790 2.729 1.00 0.00 H new ATOM 0 HA ARG A 52 -50.474 35.469 4.393 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -49.639 34.294 2.259 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -50.228 35.685 1.371 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -48.672 36.589 3.662 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -47.737 35.422 2.748 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -48.868 37.005 0.735 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -48.552 38.171 2.005 1.00 0.00 H new ATOM 0 HE ARG A 52 -46.295 36.332 1.516 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -47.845 39.383 0.584 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -46.360 40.076 -0.075 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -44.374 37.227 0.665 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -44.388 38.851 -0.029 1.00 0.00 H new ATOM 836 N GLN A 53 -51.607 37.678 4.397 1.00 0.00 N ATOM 837 CA GLN A 53 -52.127 39.034 4.409 1.00 0.00 C ATOM 838 C GLN A 53 -52.106 39.597 5.832 1.00 0.00 C ATOM 839 O GLN A 53 -53.149 39.958 6.376 1.00 0.00 O ATOM 840 CB GLN A 53 -53.537 39.086 3.819 1.00 0.00 C ATOM 841 CG GLN A 53 -53.901 40.511 3.393 1.00 0.00 C ATOM 842 CD GLN A 53 -55.252 40.929 3.977 1.00 0.00 C ATOM 843 OE1 GLN A 53 -56.305 40.673 3.418 1.00 0.00 O ATOM 844 NE2 GLN A 53 -55.163 41.586 5.130 1.00 0.00 N ATOM 0 H GLN A 53 -51.351 37.311 5.314 1.00 0.00 H new ATOM 0 HA GLN A 53 -51.485 39.655 3.784 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -53.600 38.418 2.960 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -54.257 38.728 4.555 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -53.127 41.203 3.726 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -53.936 40.571 2.305 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -54.249 41.767 5.544 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -56.009 41.908 5.600 1.00 0.00 H new ATOM 853 N ALA A 54 -50.908 39.656 6.393 1.00 0.00 N ATOM 854 CA ALA A 54 -50.738 40.170 7.743 1.00 0.00 C ATOM 855 C ALA A 54 -50.217 41.606 7.674 1.00 0.00 C ATOM 856 O ALA A 54 -50.873 42.532 8.150 1.00 0.00 O ATOM 857 CB ALA A 54 -49.803 39.246 8.526 1.00 0.00 C ATOM 0 H ALA A 54 -50.045 39.357 5.939 1.00 0.00 H new ATOM 0 HA ALA A 54 -51.692 40.191 8.270 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -49.675 39.630 9.538 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -50.233 38.245 8.570 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -48.834 39.203 8.029 1.00 0.00 H new ATOM 863 N ASN A 55 -49.041 41.748 7.080 1.00 0.00 N ATOM 864 CA ASN A 55 -48.424 43.056 6.945 1.00 0.00 C ATOM 865 C ASN A 55 -48.291 43.699 8.326 1.00 0.00 C ATOM 866 O ASN A 55 -47.959 43.024 9.299 1.00 0.00 O ATOM 867 CB ASN A 55 -49.278 43.981 6.074 1.00 0.00 C ATOM 868 CG ASN A 55 -48.706 44.082 4.658 1.00 0.00 C ATOM 869 OD1 ASN A 55 -48.014 45.025 4.307 1.00 0.00 O ATOM 870 ND2 ASN A 55 -49.031 43.063 3.868 1.00 0.00 N ATOM 0 H ASN A 55 -48.499 40.978 6.687 1.00 0.00 H new ATOM 0 HA ASN A 55 -47.448 42.921 6.479 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -50.300 43.605 6.031 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -49.322 44.973 6.524 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -48.697 43.038 2.904 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -49.614 42.306 4.226 1.00 0.00 H new HETATM 877 N NH2 A 56 -48.559 44.996 8.369 1.00 0.00 N TER 878 NH2 A 56 HETATM 879 OP3 CG1 B 201 -39.976 -5.848 4.964 1.00 0.00 O HETATM 880 P CG1 B 201 -40.232 -5.471 3.431 1.00 0.00 P HETATM 881 OP1 CG1 B 201 -39.159 -6.046 2.589 1.00 0.00 O HETATM 882 OP2 CG1 B 201 -40.490 -4.019 3.311 1.00 0.00 O HETATM 883 O5' CG1 B 201 -41.592 -6.244 3.094 1.00 0.00 O HETATM 884 C5' CG1 B 201 -41.633 -7.669 3.146 1.00 0.00 C HETATM 885 C4' CG1 B 201 -42.986 -8.166 2.688 1.00 0.00 C HETATM 886 O4' CG1 B 201 -44.019 -8.148 3.292 1.00 0.00 O HETATM 887 C3' CG1 B 201 -43.430 -7.628 1.330 1.00 0.00 C HETATM 888 O3' CG1 B 201 -42.573 -8.144 0.314 1.00 0.00 O HETATM 889 C2' CG1 B 201 -44.844 -8.107 1.155 1.00 0.00 C HETATM 890 O2' CG1 B 201 -44.691 -9.221 0.304 1.00 0.00 O HETATM 891 C1' CG1 B 201 -45.214 -8.433 2.600 1.00 0.00 C HETATM 892 N9 CG1 B 201 -46.337 -7.623 3.118 1.00 0.00 N HETATM 893 C8 CG1 B 201 -46.279 -6.381 3.641 1.00 0.00 C HETATM 894 N7 CG1 B 201 -47.470 -5.926 4.016 1.00 0.00 N HETATM 895 C5 CG1 B 201 -48.325 -6.949 3.706 1.00 0.00 C HETATM 896 C6 CG1 B 201 -49.721 -7.080 3.862 1.00 0.00 C HETATM 897 O6 CG1 B 201 -50.468 -6.228 4.340 1.00 0.00 O HETATM 898 N1 CG1 B 201 -50.291 -8.245 3.449 1.00 0.00 N HETATM 899 C2 CG1 B 201 -49.494 -9.201 2.919 1.00 0.00 C HETATM 900 N2 CG1 B 201 -50.197 -10.275 2.565 1.00 0.00 N HETATM 901 N3 CG1 B 201 -48.162 -9.184 2.724 1.00 0.00 N HETATM 902 C4 CG1 B 201 -47.655 -7.996 3.158 1.00 0.00 C HETATM 906 C CG1 B 201 -38.641 -5.974 5.453 1.00 0.00 C HETATM 0 HO2' CG1 B 201 -45.519 -9.363 -0.201 1.00 0.00 H new HETATM 0 HN2A CG1 B 201 -49.726 -11.079 2.149 1.00 0.00 H new HETATM 0 H5'A CG1 B 201 -40.850 -8.087 2.513 1.00 0.00 H new HETATM 0 HN2 CG1 B 201 -51.207 -10.294 2.709 1.00 0.00 H new HETATM 0 HN1 CG1 B 201 -51.296 -8.394 3.537 1.00 0.00 H new HETATM 0 HB CG1 B 201 -38.123 -6.757 4.899 1.00 0.00 H new HETATM 0 HA CG1 B 201 -38.115 -5.028 5.323 1.00 0.00 H new HETATM 0 H8 CG1 B 201 -45.355 -5.812 3.745 1.00 0.00 H new HETATM 0 H5' CG1 B 201 -41.437 -8.010 4.163 1.00 0.00 H new HETATM 0 H4' CG1 B 201 -42.608 -9.181 2.808 1.00 0.00 H new HETATM 0 H3' CG1 B 201 -43.379 -6.541 1.266 1.00 0.00 H new HETATM 0 H2' CG1 B 201 -45.606 -7.460 0.721 1.00 0.00 H new HETATM 0 H1' CG1 B 201 -45.566 -9.459 2.712 1.00 0.00 H new HETATM 0 H CG1 B 201 -38.664 -6.233 6.511 1.00 0.00 H new ATOM 915 P G B 202 -42.016 -7.175 -0.831 1.00 0.00 P ATOM 916 OP1 G B 202 -40.866 -7.814 -1.509 1.00 0.00 O ATOM 917 OP2 G B 202 -41.813 -5.817 -0.278 1.00 0.00 O ATOM 918 O5' G B 202 -43.230 -7.110 -1.870 1.00 0.00 O ATOM 919 C5' G B 202 -43.879 -8.310 -2.285 1.00 0.00 C ATOM 920 C4' G B 202 -45.378 -8.119 -2.278 1.00 0.00 C ATOM 921 O4' G B 202 -46.198 -7.961 -1.213 1.00 0.00 O ATOM 922 C3' G B 202 -45.857 -6.859 -2.994 1.00 0.00 C ATOM 923 O3' G B 202 -45.450 -6.906 -4.360 1.00 0.00 O ATOM 924 C2' G B 202 -47.355 -6.872 -2.863 1.00 0.00 C ATOM 925 O2' G B 202 -47.756 -7.634 -3.979 1.00 0.00 O ATOM 926 C1' G B 202 -47.515 -7.557 -1.509 1.00 0.00 C ATOM 927 N9 G B 202 -48.049 -6.665 -0.458 1.00 0.00 N ATOM 928 C8 G B 202 -47.366 -5.759 0.273 1.00 0.00 C ATOM 929 N7 G B 202 -48.139 -5.114 1.141 1.00 0.00 N ATOM 930 C5 G B 202 -49.381 -5.651 0.939 1.00 0.00 C ATOM 931 C6 G B 202 -50.624 -5.386 1.550 1.00 0.00 C ATOM 932 O6 G B 202 -50.820 -4.561 2.440 1.00 0.00 O ATOM 933 N1 G B 202 -51.699 -6.102 1.119 1.00 0.00 N ATOM 934 C2 G B 202 -51.515 -7.016 0.140 1.00 0.00 C ATOM 935 N2 G B 202 -52.655 -7.630 -0.169 1.00 0.00 N ATOM 936 N3 G B 202 -50.383 -7.349 -0.509 1.00 0.00 N ATOM 937 C4 G B 202 -49.350 -6.600 -0.034 1.00 0.00 C ATOM 0 H5' G B 202 -43.606 -9.129 -1.620 1.00 0.00 H new ATOM 0 H5'' G B 202 -43.544 -8.586 -3.285 1.00 0.00 H new ATOM 0 H4' G B 202 -45.468 -9.133 -2.667 1.00 0.00 H new ATOM 0 H3' G B 202 -45.439 -5.946 -2.571 1.00 0.00 H new ATOM 0 H2' G B 202 -47.928 -5.945 -2.871 1.00 0.00 H new ATOM 0 HO2' G B 202 -47.057 -7.603 -4.665 1.00 0.00 H new ATOM 0 H1' G B 202 -48.237 -8.372 -1.545 1.00 0.00 H new ATOM 0 H8 G B 202 -46.307 -5.578 0.165 1.00 0.00 H new ATOM 0 H1 G B 202 -52.622 -5.952 1.526 1.00 0.00 H new ATOM 0 H21 G B 202 -52.668 -8.347 -0.894 1.00 0.00 H new ATOM 0 H22 G B 202 -53.516 -7.383 0.319 1.00 0.00 H new ATOM 949 P C B 203 -44.913 -5.582 -5.081 1.00 0.00 P ATOM 950 OP1 C B 203 -44.127 -5.951 -6.280 1.00 0.00 O ATOM 951 OP2 C B 203 -44.264 -4.700 -4.085 1.00 0.00 O ATOM 952 O5' C B 203 -46.258 -4.868 -5.572 1.00 0.00 O ATOM 953 C5' C B 203 -47.113 -5.524 -6.505 1.00 0.00 C ATOM 954 C4' C B 203 -48.557 -5.380 -6.078 1.00 0.00 C ATOM 955 O4' C B 203 -48.646 -5.307 -4.820 1.00 0.00 O ATOM 956 C3' C B 203 -49.182 -4.030 -6.419 1.00 0.00 C ATOM 957 O3' C B 203 -49.657 -4.053 -7.763 1.00 0.00 O ATOM 958 C2' C B 203 -50.309 -3.857 -5.438 1.00 0.00 C ATOM 959 O2' C B 203 -51.437 -4.239 -6.191 1.00 0.00 O ATOM 960 C1' C B 203 -49.888 -4.837 -4.346 1.00 0.00 C ATOM 961 N1 C B 203 -49.749 -4.210 -3.014 1.00 0.00 N ATOM 962 C2 C B 203 -50.873 -4.178 -2.192 1.00 0.00 C ATOM 963 O2 C B 203 -51.927 -4.671 -2.610 1.00 0.00 O ATOM 964 N3 C B 203 -50.772 -3.613 -0.975 1.00 0.00 N ATOM 965 C4 C B 203 -49.641 -3.093 -0.545 1.00 0.00 C ATOM 966 N4 C B 203 -49.560 -2.540 0.659 1.00 0.00 N ATOM 967 C5 C B 203 -48.460 -3.112 -1.378 1.00 0.00 C ATOM 968 C6 C B 203 -48.577 -3.679 -2.587 1.00 0.00 C ATOM 0 H5' C B 203 -46.849 -6.579 -6.572 1.00 0.00 H new ATOM 0 H5'' C B 203 -46.975 -5.097 -7.499 1.00 0.00 H new ATOM 0 H4' C B 203 -49.033 -6.229 -6.569 1.00 0.00 H new ATOM 0 H3' C B 203 -48.474 -3.204 -6.348 1.00 0.00 H new ATOM 0 H2' C B 203 -50.521 -2.885 -4.993 1.00 0.00 H new ATOM 0 HO2' C B 203 -51.145 -4.684 -7.014 1.00 0.00 H new ATOM 0 H1' C B 203 -50.632 -5.617 -4.185 1.00 0.00 H new ATOM 0 H41 C B 203 -48.677 -2.141 0.979 1.00 0.00 H new ATOM 0 H42 C B 203 -50.380 -2.514 1.264 1.00 0.00 H new ATOM 0 H5 C B 203 -47.525 -2.688 -1.041 1.00 0.00 H new ATOM 0 H6 C B 203 -47.716 -3.714 -3.238 1.00 0.00 H new ATOM 980 P G B 204 -49.538 -2.744 -8.676 1.00 0.00 P ATOM 981 OP1 G B 204 -49.595 -3.126 -10.105 1.00 0.00 O ATOM 982 OP2 G B 204 -48.385 -1.930 -8.231 1.00 0.00 O ATOM 983 O5' G B 204 -50.876 -1.940 -8.326 1.00 0.00 O ATOM 984 C5' G B 204 -52.149 -2.548 -8.529 1.00 0.00 C ATOM 985 C4' G B 204 -53.219 -1.775 -7.794 1.00 0.00 C ATOM 986 O4' G B 204 -53.376 -1.795 -6.725 1.00 0.00 O ATOM 987 C3' G B 204 -53.383 -0.330 -8.256 1.00 0.00 C ATOM 988 O3' G B 204 -54.365 -0.270 -9.287 1.00 0.00 O ATOM 989 C2' G B 204 -53.818 0.431 -7.034 1.00 0.00 C ATOM 990 O2' G B 204 -55.139 0.804 -7.356 1.00 0.00 O ATOM 991 C1' G B 204 -53.682 -0.648 -5.964 1.00 0.00 C ATOM 992 N9 G B 204 -52.623 -0.366 -4.973 1.00 0.00 N ATOM 993 C8 G B 204 -51.300 -0.608 -5.094 1.00 0.00 C ATOM 994 N7 G B 204 -50.610 -0.237 -4.021 1.00 0.00 N ATOM 995 C5 G B 204 -51.562 0.269 -3.177 1.00 0.00 C ATOM 996 C6 G B 204 -51.465 0.822 -1.882 1.00 0.00 C ATOM 997 O6 G B 204 -50.424 0.954 -1.241 1.00 0.00 O ATOM 998 N1 G B 204 -52.617 1.245 -1.294 1.00 0.00 N ATOM 999 C2 G B 204 -53.777 1.112 -1.976 1.00 0.00 C ATOM 1000 N2 G B 204 -54.808 1.569 -1.270 1.00 0.00 N ATOM 1001 N3 G B 204 -53.985 0.604 -3.204 1.00 0.00 N ATOM 1002 C4 G B 204 -52.798 0.200 -3.738 1.00 0.00 C ATOM 0 H5' G B 204 -52.128 -3.579 -8.177 1.00 0.00 H new ATOM 0 H5'' G B 204 -52.379 -2.580 -9.594 1.00 0.00 H new ATOM 0 H4' G B 204 -53.984 -2.475 -8.130 1.00 0.00 H new ATOM 0 H3' G B 204 -52.466 0.090 -8.669 1.00 0.00 H new ATOM 0 H2' G B 204 -53.290 1.329 -6.713 1.00 0.00 H new ATOM 0 HO2' G B 204 -55.277 1.747 -7.129 1.00 0.00 H new ATOM 0 H1' G B 204 -54.582 -0.738 -5.356 1.00 0.00 H new ATOM 0 H8 G B 204 -50.851 -1.055 -5.969 1.00 0.00 H new ATOM 0 H1 G B 204 -52.606 1.653 -0.359 1.00 0.00 H new ATOM 0 H21 G B 204 -55.750 1.533 -1.660 1.00 0.00 H new ATOM 0 H22 G B 204 -54.657 1.956 -0.338 1.00 0.00 H new ATOM 1014 P A B 205 -54.112 0.636 -10.582 1.00 0.00 P ATOM 1015 OP1 A B 205 -55.350 0.709 -11.389 1.00 0.00 O ATOM 1016 OP2 A B 205 -52.877 0.194 -11.266 1.00 0.00 O ATOM 1017 O5' A B 205 -53.843 2.085 -9.960 1.00 0.00 O ATOM 1018 C5' A B 205 -54.920 3.005 -9.802 1.00 0.00 C ATOM 1019 C4' A B 205 -54.847 3.662 -8.441 1.00 0.00 C ATOM 1020 O4' A B 205 -54.348 3.198 -7.441 1.00 0.00 O ATOM 1021 C3' A B 205 -54.222 5.054 -8.446 1.00 0.00 C ATOM 1022 O3' A B 205 -55.084 5.957 -9.138 1.00 0.00 O ATOM 1023 C2' A B 205 -54.077 5.429 -6.998 1.00 0.00 C ATOM 1024 O2' A B 205 -55.205 6.246 -6.775 1.00 0.00 O ATOM 1025 C1' A B 205 -54.125 4.053 -6.342 1.00 0.00 C ATOM 1026 N9 A B 205 -52.880 3.695 -5.632 1.00 0.00 N ATOM 1027 C8 A B 205 -51.761 3.157 -6.160 1.00 0.00 C ATOM 1028 N7 A B 205 -50.811 2.952 -5.252 1.00 0.00 N ATOM 1029 C5 A B 205 -51.374 3.390 -4.083 1.00 0.00 C ATOM 1030 C6 A B 205 -50.875 3.438 -2.765 1.00 0.00 C ATOM 1031 N6 A B 205 -49.637 3.020 -2.397 1.00 0.00 N ATOM 1032 N1 A B 205 -51.696 3.938 -1.802 1.00 0.00 N ATOM 1033 C2 A B 205 -52.930 4.357 -2.160 1.00 0.00 C ATOM 1034 N3 A B 205 -53.506 4.359 -3.376 1.00 0.00 N ATOM 1035 C4 A B 205 -52.637 3.847 -4.291 1.00 0.00 C ATOM 0 H5' A B 205 -55.872 2.485 -9.913 1.00 0.00 H new ATOM 0 H5'' A B 205 -54.878 3.764 -10.583 1.00 0.00 H new ATOM 0 H4' A B 205 -55.924 3.530 -8.335 1.00 0.00 H new ATOM 0 H3' A B 205 -53.258 5.086 -8.953 1.00 0.00 H new ATOM 0 H2' A B 205 -53.200 5.970 -6.643 1.00 0.00 H new ATOM 0 HO2' A B 205 -55.818 6.172 -7.536 1.00 0.00 H new ATOM 0 H1' A B 205 -54.888 3.996 -5.566 1.00 0.00 H new ATOM 0 H8 A B 205 -51.649 2.918 -7.207 1.00 0.00 H new ATOM 0 H61 A B 205 -49.345 3.086 -1.422 1.00 0.00 H new ATOM 0 H62 A B 205 -48.998 2.640 -3.096 1.00 0.00 H new ATOM 0 H2 A B 205 -53.539 4.745 -1.357 1.00 0.00 H new ATOM 1047 P C B 206 -54.504 6.872 -10.315 1.00 0.00 P ATOM 1048 OP1 C B 206 -55.610 7.319 -11.190 1.00 0.00 O ATOM 1049 OP2 C B 206 -53.356 6.192 -10.956 1.00 0.00 O ATOM 1050 O5' C B 206 -53.944 8.152 -9.533 1.00 0.00 O ATOM 1051 C5' C B 206 -54.685 8.705 -8.447 1.00 0.00 C ATOM 1052 C4' C B 206 -53.813 8.796 -7.216 1.00 0.00 C ATOM 1053 O4' C B 206 -53.356 8.043 -6.392 1.00 0.00 O ATOM 1054 C3' C B 206 -53.047 10.108 -7.082 1.00 0.00 C ATOM 1055 O3' C B 206 -53.969 11.175 -6.860 1.00 0.00 O ATOM 1056 C2' C B 206 -52.132 9.917 -5.905 1.00 0.00 C ATOM 1057 O2' C B 206 -52.808 10.599 -4.872 1.00 0.00 O ATOM 1058 C1' C B 206 -52.130 8.394 -5.792 1.00 0.00 C ATOM 1059 N1 C B 206 -50.992 7.754 -6.486 1.00 0.00 N ATOM 1060 C2 C B 206 -49.930 7.300 -5.706 1.00 0.00 C ATOM 1061 O2 C B 206 -49.988 7.453 -4.481 1.00 0.00 O ATOM 1062 N3 C B 206 -48.884 6.715 -6.315 1.00 0.00 N ATOM 1063 C4 C B 206 -48.839 6.559 -7.623 1.00 0.00 C ATOM 1064 N4 C B 206 -47.797 5.978 -8.205 1.00 0.00 N ATOM 1065 C5 C B 206 -49.927 7.021 -8.455 1.00 0.00 C ATOM 1066 C6 C B 206 -50.963 7.603 -7.833 1.00 0.00 C ATOM 0 H5' C B 206 -55.557 8.086 -8.239 1.00 0.00 H new ATOM 0 H5'' C B 206 -55.054 9.695 -8.715 1.00 0.00 H new ATOM 0 H4' C B 206 -54.750 8.255 -7.082 1.00 0.00 H new ATOM 0 H3' C B 206 -52.479 10.361 -7.978 1.00 0.00 H new ATOM 0 H2' C B 206 -51.105 10.282 -5.927 1.00 0.00 H new ATOM 0 HO2' C B 206 -52.191 10.761 -4.128 1.00 0.00 H new ATOM 0 H1' C B 206 -52.022 8.058 -4.761 1.00 0.00 H new ATOM 0 H41 C B 206 -47.777 5.864 -9.218 1.00 0.00 H new ATOM 0 H42 C B 206 -47.017 5.645 -7.639 1.00 0.00 H new ATOM 0 H5 C B 206 -49.907 6.903 -9.528 1.00 0.00 H new ATOM 0 H6 C B 206 -51.796 7.961 -8.420 1.00 0.00 H new ATOM 1078 P U B 207 -53.825 12.541 -7.681 1.00 0.00 P ATOM 1079 OP1 U B 207 -55.143 13.207 -7.774 1.00 0.00 O ATOM 1080 OP2 U B 207 -53.096 12.287 -8.945 1.00 0.00 O ATOM 1081 O5' U B 207 -52.886 13.429 -6.739 1.00 0.00 O ATOM 1082 C5' U B 207 -53.014 13.345 -5.321 1.00 0.00 C ATOM 1083 C4' U B 207 -51.680 12.995 -4.700 1.00 0.00 C ATOM 1084 O4' U B 207 -50.932 11.926 -4.181 1.00 0.00 O ATOM 1085 C3' U B 207 -50.546 13.948 -5.065 1.00 0.00 C ATOM 1086 O3' U B 207 -51.012 15.294 -4.984 1.00 0.00 O ATOM 1087 C2' U B 207 -49.462 13.678 -4.058 1.00 0.00 C ATOM 1088 O2' U B 207 -49.892 14.413 -2.934 1.00 0.00 O ATOM 1089 C1' U B 207 -49.565 12.162 -3.928 1.00 0.00 C ATOM 1090 N1 U B 207 -48.711 11.428 -4.887 1.00 0.00 N ATOM 1091 C2 U B 207 -47.592 10.846 -4.374 1.00 0.00 C ATOM 1092 O2 U B 207 -47.279 10.902 -3.196 1.00 0.00 O ATOM 1093 N3 U B 207 -46.795 10.162 -5.265 1.00 0.00 N ATOM 1094 C4 U B 207 -47.076 10.050 -6.603 1.00 0.00 C ATOM 1095 O4 U B 207 -46.292 9.415 -7.307 1.00 0.00 O ATOM 1096 C5 U B 207 -48.255 10.677 -7.085 1.00 0.00 C ATOM 1097 C6 U B 207 -49.013 11.334 -6.205 1.00 0.00 C ATOM 0 H5' U B 207 -53.755 12.590 -5.059 1.00 0.00 H new ATOM 0 H5'' U B 207 -53.371 14.295 -4.923 1.00 0.00 H new ATOM 0 H4' U B 207 -52.552 12.785 -4.080 1.00 0.00 H new ATOM 0 H3' U B 207 -50.179 13.802 -6.081 1.00 0.00 H new ATOM 0 H2' U B 207 -48.427 13.956 -4.259 1.00 0.00 H new ATOM 0 HO2' U B 207 -50.468 15.150 -3.226 1.00 0.00 H new ATOM 0 H1' U B 207 -49.219 11.810 -2.956 1.00 0.00 H new ATOM 0 H3 U B 207 -45.950 9.714 -4.911 1.00 0.00 H new ATOM 0 H5 U B 207 -48.529 10.624 -8.128 1.00 0.00 H new ATOM 0 H6 U B 207 -49.912 11.815 -6.561 1.00 0.00 H new ATOM 1108 P G B 208 -50.940 16.243 -6.271 1.00 0.00 P ATOM 1109 OP1 G B 208 -51.796 17.431 -6.060 1.00 0.00 O ATOM 1110 OP2 G B 208 -51.172 15.442 -7.494 1.00 0.00 O ATOM 1111 O5' G B 208 -49.416 16.725 -6.278 1.00 0.00 O ATOM 1112 C5' G B 208 -48.818 17.218 -5.080 1.00 0.00 C ATOM 1113 C4' G B 208 -47.454 16.597 -4.886 1.00 0.00 C ATOM 1114 O4' G B 208 -47.006 15.563 -4.614 1.00 0.00 O ATOM 1115 C3' G B 208 -46.289 17.483 -5.321 1.00 0.00 C ATOM 1116 O3' G B 208 -46.104 18.524 -4.365 1.00 0.00 O ATOM 1117 C2' G B 208 -45.097 16.570 -5.381 1.00 0.00 C ATOM 1118 O2' G B 208 -44.310 17.015 -4.299 1.00 0.00 O ATOM 1119 C1' G B 208 -45.767 15.213 -5.189 1.00 0.00 C ATOM 1120 N9 G B 208 -45.957 14.465 -6.450 1.00 0.00 N ATOM 1121 C8 G B 208 -46.894 14.681 -7.398 1.00 0.00 C ATOM 1122 N7 G B 208 -46.797 13.833 -8.417 1.00 0.00 N ATOM 1123 C5 G B 208 -45.734 13.039 -8.083 1.00 0.00 C ATOM 1124 C6 G B 208 -45.131 11.953 -8.754 1.00 0.00 C ATOM 1125 O6 G B 208 -45.488 11.500 -9.841 1.00 0.00 O ATOM 1126 N1 G B 208 -44.066 11.358 -8.151 1.00 0.00 N ATOM 1127 C2 G B 208 -43.651 11.836 -6.957 1.00 0.00 C ATOM 1128 N2 G B 208 -42.605 11.151 -6.500 1.00 0.00 N ATOM 1129 N3 G B 208 -44.146 12.856 -6.232 1.00 0.00 N ATOM 1130 C4 G B 208 -45.205 13.407 -6.887 1.00 0.00 C ATOM 0 H5' G B 208 -49.455 16.989 -4.226 1.00 0.00 H new ATOM 0 H5'' G B 208 -48.728 18.303 -5.129 1.00 0.00 H new ATOM 0 H4' G B 208 -48.294 16.259 -4.278 1.00 0.00 H new ATOM 0 H3' G B 208 -46.457 17.964 -6.284 1.00 0.00 H new ATOM 0 H2' G B 208 -44.459 16.538 -6.264 1.00 0.00 H new ATOM 0 HO2' G B 208 -44.041 16.247 -3.753 1.00 0.00 H new ATOM 0 H1' G B 208 -45.162 14.540 -4.581 1.00 0.00 H new ATOM 0 H8 G B 208 -47.641 15.458 -7.335 1.00 0.00 H new ATOM 0 H1 G B 208 -43.592 10.569 -8.590 1.00 0.00 H new ATOM 0 H21 G B 208 -42.183 11.401 -5.605 1.00 0.00 H new ATOM 0 H22 G B 208 -42.225 10.376 -7.044 1.00 0.00 H new ATOM 1142 P G B 209 -45.006 19.660 -4.622 1.00 0.00 P ATOM 1143 OP1 G B 209 -45.583 20.989 -4.322 1.00 0.00 O ATOM 1144 OP2 G B 209 -44.392 19.467 -5.955 1.00 0.00 O ATOM 1145 O5' G B 209 -43.894 19.342 -3.516 1.00 0.00 O ATOM 1146 C5' G B 209 -43.780 20.171 -2.362 1.00 0.00 C ATOM 1147 C4' G B 209 -44.790 19.749 -1.318 1.00 0.00 C ATOM 1148 O4' G B 209 -45.625 20.150 -0.249 1.00 0.00 O ATOM 1149 C3' G B 209 -45.382 18.360 -1.538 1.00 0.00 C ATOM 1150 O3' G B 209 -44.776 17.436 -0.636 1.00 0.00 O ATOM 1151 C2' G B 209 -46.854 18.508 -1.270 1.00 0.00 C ATOM 1152 O2' G B 209 -47.255 17.182 -1.003 1.00 0.00 O ATOM 1153 C1' G B 209 -46.830 19.442 -0.063 1.00 0.00 C ATOM 1154 N9 G B 209 -47.986 20.360 -0.004 1.00 0.00 N ATOM 1155 C8 G B 209 -48.055 21.621 -0.480 1.00 0.00 C ATOM 1156 N7 G B 209 -49.241 22.184 -0.270 1.00 0.00 N ATOM 1157 C5 G B 209 -49.956 21.212 0.376 1.00 0.00 C ATOM 1158 C6 G B 209 -51.279 21.194 0.867 1.00 0.00 C ATOM 1159 O6 G B 209 -52.080 22.126 0.790 1.00 0.00 O ATOM 1160 N1 G B 209 -51.706 20.055 1.476 1.00 0.00 N ATOM 1161 C2 G B 209 -50.848 19.015 1.574 1.00 0.00 C ATOM 1162 N2 G B 209 -51.412 17.979 2.192 1.00 0.00 N ATOM 1163 N3 G B 209 -49.575 18.921 1.147 1.00 0.00 N ATOM 1164 C4 G B 209 -49.209 20.090 0.550 1.00 0.00 C ATOM 0 H5' G B 209 -43.942 21.213 -2.636 1.00 0.00 H new ATOM 0 H5'' G B 209 -42.772 20.102 -1.953 1.00 0.00 H new ATOM 0 H4' G B 209 -44.074 20.551 -1.137 1.00 0.00 H new ATOM 0 H3' G B 209 -45.207 17.980 -2.544 1.00 0.00 H new ATOM 0 H2' G B 209 -47.526 18.911 -2.028 1.00 0.00 H new ATOM 0 HO2' G B 209 -46.501 16.681 -0.628 1.00 0.00 H new ATOM 0 H1' G B 209 -46.890 18.896 0.879 1.00 0.00 H new ATOM 0 H8 G B 209 -47.236 22.119 -0.977 1.00 0.00 H new ATOM 0 H1 G B 209 -52.652 19.987 1.850 1.00 0.00 H new ATOM 0 H21 G B 209 -50.880 17.121 2.338 1.00 0.00 H new ATOM 0 H22 G B 209 -52.376 18.044 2.520 1.00 0.00 H new ATOM 1176 P U B 210 -43.188 17.235 -0.645 1.00 0.00 P ATOM 1177 OP1 U B 210 -42.520 18.534 -0.403 1.00 0.00 O ATOM 1178 OP2 U B 210 -42.788 16.476 -1.851 1.00 0.00 O ATOM 1179 O5' U B 210 -42.937 16.305 0.632 1.00 0.00 O ATOM 1180 C5' U B 210 -41.609 15.922 0.985 1.00 0.00 C ATOM 1181 C4' U B 210 -41.509 14.416 1.072 1.00 0.00 C ATOM 1182 O4' U B 210 -42.717 14.194 1.749 1.00 0.00 O ATOM 1183 C3' U B 210 -41.770 13.689 -0.244 1.00 0.00 C ATOM 1184 O3' U B 210 -41.285 12.351 -0.152 1.00 0.00 O ATOM 1185 C2' U B 210 -43.262 13.723 -0.426 1.00 0.00 C ATOM 1186 O2' U B 210 -43.495 12.627 -1.282 1.00 0.00 O ATOM 1187 C1' U B 210 -43.729 13.540 1.016 1.00 0.00 C ATOM 1188 N1 U B 210 -45.055 14.134 1.286 1.00 0.00 N ATOM 1189 C2 U B 210 -46.134 13.420 0.864 1.00 0.00 C ATOM 1190 O2 U B 210 -46.052 12.345 0.292 1.00 0.00 O ATOM 1191 N3 U B 210 -47.369 13.973 1.115 1.00 0.00 N ATOM 1192 C4 U B 210 -47.549 15.174 1.753 1.00 0.00 C ATOM 1193 O4 U B 210 -48.700 15.571 1.924 1.00 0.00 O ATOM 1194 C5 U B 210 -46.390 15.878 2.172 1.00 0.00 C ATOM 1195 C6 U B 210 -45.201 15.325 1.918 1.00 0.00 C ATOM 0 H5' U B 210 -41.335 16.368 1.941 1.00 0.00 H new ATOM 0 H5'' U B 210 -40.904 16.299 0.244 1.00 0.00 H new ATOM 0 H4' U B 210 -40.541 14.097 1.457 1.00 0.00 H new ATOM 0 H3' U B 210 -41.264 14.151 -1.092 1.00 0.00 H new ATOM 0 H2' U B 210 -43.755 14.593 -0.860 1.00 0.00 H new ATOM 0 HO2' U B 210 -42.869 11.905 -1.067 1.00 0.00 H new ATOM 0 H1' U B 210 -43.863 12.490 1.274 1.00 0.00 H new ATOM 0 H3 U B 210 -48.197 13.461 0.810 1.00 0.00 H new ATOM 0 H5 U B 210 -46.467 16.829 2.679 1.00 0.00 H new ATOM 0 H6 U B 210 -44.312 15.852 2.231 1.00 0.00 H new ATOM 1206 P G B 211 -40.174 11.831 -1.180 1.00 0.00 P ATOM 1207 OP1 G B 211 -39.235 12.930 -1.496 1.00 0.00 O ATOM 1208 OP2 G B 211 -40.829 11.144 -2.315 1.00 0.00 O ATOM 1209 O5' G B 211 -39.381 10.733 -0.327 1.00 0.00 O ATOM 1210 C5' G B 211 -39.864 10.342 0.957 1.00 0.00 C ATOM 1211 C4' G B 211 -38.714 9.891 1.828 1.00 0.00 C ATOM 1212 O4' G B 211 -38.790 10.501 2.754 1.00 0.00 O ATOM 1213 C3' G B 211 -38.775 8.424 2.243 1.00 0.00 C ATOM 1214 O3' G B 211 -37.627 7.742 1.744 1.00 0.00 O ATOM 1215 C2' G B 211 -38.800 8.436 3.747 1.00 0.00 C ATOM 1216 O2' G B 211 -37.516 7.962 4.082 1.00 0.00 O ATOM 1217 C1' G B 211 -39.041 9.919 4.015 1.00 0.00 C ATOM 1218 N9 G B 211 -40.412 10.219 4.478 1.00 0.00 N ATOM 1219 C8 G B 211 -41.533 10.293 3.729 1.00 0.00 C ATOM 1220 N7 G B 211 -42.612 10.583 4.449 1.00 0.00 N ATOM 1221 C5 G B 211 -42.134 10.698 5.726 1.00 0.00 C ATOM 1222 C6 G B 211 -42.782 10.993 6.944 1.00 0.00 C ATOM 1223 O6 G B 211 -43.985 11.214 7.076 1.00 0.00 O ATOM 1224 N1 G B 211 -42.016 11.036 8.068 1.00 0.00 N ATOM 1225 C2 G B 211 -40.690 10.797 7.954 1.00 0.00 C ATOM 1226 N2 G B 211 -40.081 10.875 9.135 1.00 0.00 N ATOM 1227 N3 G B 211 -39.971 10.508 6.853 1.00 0.00 N ATOM 1228 C4 G B 211 -40.793 10.480 5.768 1.00 0.00 C ATOM 0 H5' G B 211 -40.589 9.535 0.851 1.00 0.00 H new ATOM 0 H5'' G B 211 -40.383 11.177 1.429 1.00 0.00 H new ATOM 0 H4' G B 211 -37.789 10.013 1.265 1.00 0.00 H new ATOM 0 H3' G B 211 -39.648 7.907 1.845 1.00 0.00 H new ATOM 0 H2' G B 211 -39.528 7.843 4.301 1.00 0.00 H new ATOM 0 HO2' G B 211 -36.882 8.709 4.086 1.00 0.00 H new ATOM 0 H1' G B 211 -38.411 10.298 4.819 1.00 0.00 H new ATOM 0 H8 G B 211 -41.551 10.134 2.661 1.00 0.00 H new ATOM 0 H1 G B 211 -42.433 11.244 8.976 1.00 0.00 H new ATOM 0 H21 G B 211 -39.076 10.717 9.202 1.00 0.00 H new ATOM 0 H22 G B 211 -40.620 11.093 9.973 1.00 0.00 H new ATOM 1240 P A B 212 -36.183 8.424 1.850 1.00 0.00 P ATOM 1241 OP1 A B 212 -35.153 7.382 2.057 1.00 0.00 O ATOM 1242 OP2 A B 212 -36.229 9.541 2.820 1.00 0.00 O ATOM 1243 O5' A B 212 -35.970 9.045 0.391 1.00 0.00 O ATOM 1244 C5' A B 212 -36.145 8.227 -0.764 1.00 0.00 C ATOM 1245 C4' A B 212 -37.613 8.109 -1.101 1.00 0.00 C ATOM 1246 O4' A B 212 -38.514 8.671 -2.027 1.00 0.00 O ATOM 1247 C3' A B 212 -38.075 6.690 -1.419 1.00 0.00 C ATOM 1248 O3' A B 212 -37.564 5.794 -0.433 1.00 0.00 O ATOM 1249 C2' A B 212 -39.577 6.745 -1.389 1.00 0.00 C ATOM 1250 O2' A B 212 -39.866 6.568 -0.020 1.00 0.00 O ATOM 1251 C1' A B 212 -39.821 8.149 -1.935 1.00 0.00 C ATOM 1252 N9 A B 212 -40.495 8.161 -3.249 1.00 0.00 N ATOM 1253 C8 A B 212 -40.004 7.723 -4.428 1.00 0.00 C ATOM 1254 N7 A B 212 -40.864 7.874 -5.430 1.00 0.00 N ATOM 1255 C5 A B 212 -41.961 8.441 -4.839 1.00 0.00 C ATOM 1256 C6 A B 212 -43.206 8.842 -5.370 1.00 0.00 C ATOM 1257 N6 A B 212 -43.559 8.725 -6.675 1.00 0.00 N ATOM 1258 N1 A B 212 -44.109 9.384 -4.507 1.00 0.00 N ATOM 1259 C2 A B 212 -43.765 9.505 -3.205 1.00 0.00 C ATOM 1260 N3 A B 212 -42.617 9.158 -2.595 1.00 0.00 N ATOM 1261 C4 A B 212 -41.759 8.626 -3.508 1.00 0.00 C ATOM 0 H5' A B 212 -35.725 7.237 -0.585 1.00 0.00 H new ATOM 0 H5'' A B 212 -35.604 8.655 -1.608 1.00 0.00 H new ATOM 0 H4' A B 212 -37.654 8.737 -0.211 1.00 0.00 H new ATOM 0 H3' A B 212 -37.719 6.334 -2.386 1.00 0.00 H new ATOM 0 H2' A B 212 -40.177 6.028 -1.950 1.00 0.00 H new ATOM 0 HO2' A B 212 -39.118 6.109 0.416 1.00 0.00 H new ATOM 0 H1' A B 212 -40.492 8.726 -1.299 1.00 0.00 H new ATOM 0 H8 A B 212 -39.019 7.296 -4.544 1.00 0.00 H new ATOM 0 H61 A B 212 -44.479 9.038 -6.984 1.00 0.00 H new ATOM 0 H62 A B 212 -42.904 8.324 -7.346 1.00 0.00 H new ATOM 0 H2 A B 212 -44.517 9.941 -2.565 1.00 0.00 H new ATOM 1273 P G B 213 -37.505 4.223 -0.734 1.00 0.00 P ATOM 1274 OP1 G B 213 -37.086 3.498 0.486 1.00 0.00 O ATOM 1275 OP2 G B 213 -36.730 3.982 -1.971 1.00 0.00 O ATOM 1276 O5' G B 213 -39.034 3.855 -1.029 1.00 0.00 O ATOM 1277 C5' G B 213 -39.882 3.428 0.035 1.00 0.00 C ATOM 1278 C4' G B 213 -41.317 3.795 -0.266 1.00 0.00 C ATOM 1279 O4' G B 213 -41.722 4.462 -1.150 1.00 0.00 O ATOM 1280 C3' G B 213 -42.278 2.610 -0.296 1.00 0.00 C ATOM 1281 O3' G B 213 -42.413 2.075 1.018 1.00 0.00 O ATOM 1282 C2' G B 213 -43.579 3.166 -0.802 1.00 0.00 C ATOM 1283 O2' G B 213 -44.345 3.284 0.376 1.00 0.00 O ATOM 1284 C1' G B 213 -43.108 4.483 -1.412 1.00 0.00 C ATOM 1285 N9 G B 213 -43.376 4.592 -2.861 1.00 0.00 N ATOM 1286 C8 G B 213 -42.606 4.141 -3.873 1.00 0.00 C ATOM 1287 N7 G B 213 -43.127 4.396 -5.068 1.00 0.00 N ATOM 1288 C5 G B 213 -44.297 5.048 -4.783 1.00 0.00 C ATOM 1289 C6 G B 213 -45.300 5.579 -5.622 1.00 0.00 C ATOM 1290 O6 G B 213 -45.293 5.541 -6.852 1.00 0.00 O ATOM 1291 N1 G B 213 -46.363 6.181 -5.023 1.00 0.00 N ATOM 1292 C2 G B 213 -46.398 6.235 -3.673 1.00 0.00 C ATOM 1293 N2 G B 213 -47.495 6.853 -3.242 1.00 0.00 N ATOM 1294 N3 G B 213 -45.504 5.768 -2.782 1.00 0.00 N ATOM 1295 C4 G B 213 -44.468 5.180 -3.442 1.00 0.00 C ATOM 0 H5' G B 213 -39.568 3.893 0.970 1.00 0.00 H new ATOM 0 H5'' G B 213 -39.795 2.350 0.170 1.00 0.00 H new ATOM 0 H4' G B 213 -41.281 4.473 0.586 1.00 0.00 H new ATOM 0 H3' G B 213 -41.929 1.797 -0.933 1.00 0.00 H new ATOM 0 H2' G B 213 -44.176 2.620 -1.533 1.00 0.00 H new ATOM 0 HO2' G B 213 -44.698 2.405 0.626 1.00 0.00 H new ATOM 0 H1' G B 213 -43.633 5.340 -0.991 1.00 0.00 H new ATOM 0 H8 G B 213 -41.667 3.628 -3.727 1.00 0.00 H new ATOM 0 H1 G B 213 -47.117 6.583 -5.580 1.00 0.00 H new ATOM 0 H21 G B 213 -47.656 6.968 -2.241 1.00 0.00 H new ATOM 0 H22 G B 213 -48.175 7.212 -3.912 1.00 0.00 H new ATOM 1307 P U B 214 -41.965 0.569 1.319 1.00 0.00 P ATOM 1308 OP1 U B 214 -40.580 0.555 1.841 1.00 0.00 O ATOM 1309 OP2 U B 214 -42.261 -0.284 0.145 1.00 0.00 O ATOM 1310 O5' U B 214 -42.945 0.131 2.505 1.00 0.00 O ATOM 1311 C5' U B 214 -43.552 1.124 3.331 1.00 0.00 C ATOM 1312 C4' U B 214 -45.022 1.247 3.001 1.00 0.00 C ATOM 1313 O4' U B 214 -45.546 1.753 2.172 1.00 0.00 O ATOM 1314 C3' U B 214 -45.851 0.011 3.340 1.00 0.00 C ATOM 1315 O3' U B 214 -46.568 0.238 4.550 1.00 0.00 O ATOM 1316 C2' U B 214 -46.780 -0.177 2.173 1.00 0.00 C ATOM 1317 O2' U B 214 -48.032 -0.350 2.799 1.00 0.00 O ATOM 1318 C1' U B 214 -46.591 1.150 1.444 1.00 0.00 C ATOM 1319 N1 U B 214 -46.229 0.993 0.020 1.00 0.00 N ATOM 1320 C2 U B 214 -47.129 1.462 -0.887 1.00 0.00 C ATOM 1321 O2 U B 214 -48.187 1.988 -0.582 1.00 0.00 O ATOM 1322 N3 U B 214 -46.794 1.316 -2.215 1.00 0.00 N ATOM 1323 C4 U B 214 -45.625 0.737 -2.644 1.00 0.00 C ATOM 1324 O4 U B 214 -45.430 0.661 -3.856 1.00 0.00 O ATOM 1325 C5 U B 214 -44.722 0.265 -1.655 1.00 0.00 C ATOM 1326 C6 U B 214 -45.068 0.416 -0.375 1.00 0.00 C ATOM 0 H5' U B 214 -43.057 2.084 3.183 1.00 0.00 H new ATOM 0 H5'' U B 214 -43.428 0.860 4.381 1.00 0.00 H new ATOM 0 H4' U B 214 -44.929 2.129 3.635 1.00 0.00 H new ATOM 0 H3' U B 214 -45.242 -0.879 3.497 1.00 0.00 H new ATOM 0 H2' U B 214 -46.642 -1.000 1.472 1.00 0.00 H new ATOM 0 HO2' U B 214 -48.033 -1.191 3.302 1.00 0.00 H new ATOM 0 H1' U B 214 -47.511 1.734 1.411 1.00 0.00 H new ATOM 0 H3 U B 214 -47.450 1.656 -2.918 1.00 0.00 H new ATOM 0 H5 U B 214 -43.787 -0.200 -1.929 1.00 0.00 H new ATOM 0 H6 U B 214 -44.388 0.060 0.385 1.00 0.00 H new ATOM 1337 P A B 215 -46.866 -0.978 5.545 1.00 0.00 P ATOM 1338 OP1 A B 215 -45.600 -1.448 6.151 1.00 0.00 O ATOM 1339 OP2 A B 215 -47.712 -1.984 4.865 1.00 0.00 O ATOM 1340 O5' A B 215 -47.740 -0.295 6.698 1.00 0.00 O ATOM 1341 C5' A B 215 -49.079 0.119 6.428 1.00 0.00 C ATOM 1342 C4' A B 215 -49.472 1.243 7.359 1.00 0.00 C ATOM 1343 O4' A B 215 -48.739 2.439 7.312 1.00 0.00 O ATOM 1344 C3' A B 215 -50.933 1.671 7.248 1.00 0.00 C ATOM 1345 O3' A B 215 -51.660 1.171 8.368 1.00 0.00 O ATOM 1346 C2' A B 215 -50.907 3.174 7.233 1.00 0.00 C ATOM 1347 O2' A B 215 -51.081 3.501 8.593 1.00 0.00 O ATOM 1348 C1' A B 215 -49.511 3.428 6.670 1.00 0.00 C ATOM 1349 N9 A B 215 -49.436 3.295 5.199 1.00 0.00 N ATOM 1350 C8 A B 215 -48.541 2.578 4.487 1.00 0.00 C ATOM 1351 N7 A B 215 -48.743 2.664 3.177 1.00 0.00 N ATOM 1352 C5 A B 215 -49.831 3.487 3.065 1.00 0.00 C ATOM 1353 C6 A B 215 -50.532 3.963 1.936 1.00 0.00 C ATOM 1354 N6 A B 215 -50.218 3.658 0.650 1.00 0.00 N ATOM 1355 N1 A B 215 -51.594 4.784 2.158 1.00 0.00 N ATOM 1356 C2 A B 215 -51.915 5.092 3.434 1.00 0.00 C ATOM 1357 N3 A B 215 -51.322 4.699 4.578 1.00 0.00 N ATOM 1358 C4 A B 215 -50.271 3.885 4.288 1.00 0.00 C ATOM 0 H5' A B 215 -49.760 -0.722 6.553 1.00 0.00 H new ATOM 0 H5'' A B 215 -49.165 0.447 5.392 1.00 0.00 H new ATOM 0 H4' A B 215 -49.245 0.738 8.298 1.00 0.00 H new ATOM 0 H3' A B 215 -51.422 1.283 6.355 1.00 0.00 H new ATOM 0 H2' A B 215 -51.639 3.743 6.660 1.00 0.00 H new ATOM 0 HO2' A B 215 -51.592 2.792 9.037 1.00 0.00 H new ATOM 0 H1' A B 215 -49.174 4.449 6.851 1.00 0.00 H new ATOM 0 H8 A B 215 -47.747 1.998 4.934 1.00 0.00 H new ATOM 0 H61 A B 215 -50.773 4.041 -0.115 1.00 0.00 H new ATOM 0 H62 A B 215 -49.427 3.046 0.450 1.00 0.00 H new ATOM 0 H2 A B 215 -52.767 5.745 3.553 1.00 0.00 H new ATOM 1370 P C B 216 -52.901 0.187 8.143 1.00 0.00 P ATOM 1371 OP1 C B 216 -53.709 0.112 9.381 1.00 0.00 O ATOM 1372 OP2 C B 216 -52.427 -1.088 7.559 1.00 0.00 O ATOM 1373 O5' C B 216 -53.766 0.947 7.032 1.00 0.00 O ATOM 1374 C5' C B 216 -54.231 2.273 7.275 1.00 0.00 C ATOM 1375 C4' C B 216 -55.009 2.778 6.082 1.00 0.00 C ATOM 1376 O4' C B 216 -54.794 3.451 5.195 1.00 0.00 O ATOM 1377 C3' C B 216 -56.117 1.840 5.611 1.00 0.00 C ATOM 1378 O3' C B 216 -57.374 2.309 6.096 1.00 0.00 O ATOM 1379 C2' C B 216 -56.057 1.879 4.109 1.00 0.00 C ATOM 1380 O2' C B 216 -57.368 2.263 3.756 1.00 0.00 O ATOM 1381 C1' C B 216 -54.983 2.941 3.894 1.00 0.00 C ATOM 1382 N1 C B 216 -53.722 2.401 3.345 1.00 0.00 N ATOM 1383 C2 C B 216 -53.540 2.459 1.963 1.00 0.00 C ATOM 1384 O2 C B 216 -54.434 2.955 1.269 1.00 0.00 O ATOM 1385 N3 C B 216 -52.400 1.973 1.440 1.00 0.00 N ATOM 1386 C4 C B 216 -51.457 1.447 2.194 1.00 0.00 C ATOM 1387 N4 C B 216 -50.339 0.974 1.658 1.00 0.00 N ATOM 1388 C5 C B 216 -51.621 1.376 3.628 1.00 0.00 C ATOM 1389 C6 C B 216 -52.763 1.863 4.136 1.00 0.00 C ATOM 0 H5' C B 216 -53.386 2.932 7.473 1.00 0.00 H new ATOM 0 H5'' C B 216 -54.862 2.288 8.163 1.00 0.00 H new ATOM 0 H4' C B 216 -54.959 3.608 6.786 1.00 0.00 H new ATOM 0 H3' C B 216 -55.996 0.821 5.979 1.00 0.00 H new ATOM 0 H2' C B 216 -55.806 0.988 3.534 1.00 0.00 H new ATOM 0 HO2' C B 216 -57.440 2.321 2.780 1.00 0.00 H new ATOM 0 H1' C B 216 -55.285 3.686 3.158 1.00 0.00 H new ATOM 0 H41 C B 216 -49.618 0.570 2.256 1.00 0.00 H new ATOM 0 H42 C B 216 -50.201 1.015 0.648 1.00 0.00 H new ATOM 0 H5 C B 216 -50.858 0.950 4.263 1.00 0.00 H new ATOM 0 H6 C B 216 -52.922 1.825 5.204 1.00 0.00 H new ATOM 1401 P G B 217 -58.522 1.263 6.482 1.00 0.00 P ATOM 1402 OP1 G B 217 -59.819 1.968 6.596 1.00 0.00 O ATOM 1403 OP2 G B 217 -58.085 0.446 7.635 1.00 0.00 O ATOM 1404 O5' G B 217 -58.588 0.311 5.197 1.00 0.00 O ATOM 1405 C5' G B 217 -59.665 0.437 4.271 1.00 0.00 C ATOM 1406 C4' G B 217 -59.477 -0.527 3.121 1.00 0.00 C ATOM 1407 O4' G B 217 -58.555 -0.472 2.411 1.00 0.00 O ATOM 1408 C3' G B 217 -59.570 -1.999 3.513 1.00 0.00 C ATOM 1409 O3' G B 217 -60.941 -2.386 3.583 1.00 0.00 O ATOM 1410 C2' G B 217 -58.841 -2.745 2.429 1.00 0.00 C ATOM 1411 O2' G B 217 -59.891 -3.192 1.600 1.00 0.00 O ATOM 1412 C1' G B 217 -57.977 -1.629 1.850 1.00 0.00 C ATOM 1413 N9 G B 217 -56.549 -1.743 2.211 1.00 0.00 N ATOM 1414 C8 G B 217 -55.971 -1.406 3.383 1.00 0.00 C ATOM 1415 N7 G B 217 -54.661 -1.630 3.392 1.00 0.00 N ATOM 1416 C5 G B 217 -54.405 -2.138 2.147 1.00 0.00 C ATOM 1417 C6 G B 217 -53.207 -2.571 1.542 1.00 0.00 C ATOM 1418 O6 G B 217 -52.097 -2.565 2.072 1.00 0.00 O ATOM 1419 N1 G B 217 -53.282 -3.034 0.263 1.00 0.00 N ATOM 1420 C2 G B 217 -54.488 -3.051 -0.346 1.00 0.00 C ATOM 1421 N2 G B 217 -54.397 -3.529 -1.585 1.00 0.00 N ATOM 1422 N3 G B 217 -55.687 -2.666 0.131 1.00 0.00 N ATOM 1423 C4 G B 217 -55.543 -2.215 1.408 1.00 0.00 C ATOM 0 H5' G B 217 -59.714 1.459 3.895 1.00 0.00 H new ATOM 0 H5'' G B 217 -60.612 0.237 4.773 1.00 0.00 H new ATOM 0 H4' G B 217 -60.322 -0.137 2.553 1.00 0.00 H new ATOM 0 H3' G B 217 -59.133 -2.207 4.490 1.00 0.00 H new ATOM 0 H2' G B 217 -58.214 -3.606 2.662 1.00 0.00 H new ATOM 0 HO2' G B 217 -60.751 -2.967 2.012 1.00 0.00 H new ATOM 0 H1' G B 217 -57.967 -1.642 0.760 1.00 0.00 H new ATOM 0 H8 G B 217 -56.514 -0.998 4.223 1.00 0.00 H new ATOM 0 H1 G B 217 -52.447 -3.360 -0.224 1.00 0.00 H new ATOM 0 H21 G B 217 -55.232 -3.600 -2.167 1.00 0.00 H new ATOM 0 H22 G B 217 -53.492 -3.824 -1.953 1.00 0.00 H new ATOM 1435 P C B 218 -61.390 -3.569 4.562 1.00 0.00 P ATOM 1436 OP1 C B 218 -62.811 -3.904 4.321 1.00 0.00 O ATOM 1437 OP2 C B 218 -60.991 -3.247 5.949 1.00 0.00 O ATOM 1438 O5' C B 218 -60.500 -4.803 4.066 1.00 0.00 O ATOM 1439 C5' C B 218 -61.064 -5.787 3.200 1.00 0.00 C ATOM 1440 C4' C B 218 -59.968 -6.511 2.453 1.00 0.00 C ATOM 1441 O4' C B 218 -58.872 -5.840 1.927 1.00 0.00 O ATOM 1442 C3' C B 218 -59.162 -7.487 3.306 1.00 0.00 C ATOM 1443 O3' C B 218 -59.978 -8.608 3.640 1.00 0.00 O ATOM 1444 C2' C B 218 -57.994 -7.890 2.450 1.00 0.00 C ATOM 1445 O2' C B 218 -58.546 -8.887 1.620 1.00 0.00 O ATOM 1446 C1' C B 218 -57.675 -6.566 1.761 1.00 0.00 C ATOM 1447 N1 C B 218 -56.529 -5.851 2.359 1.00 0.00 N ATOM 1448 C2 C B 218 -55.297 -5.945 1.713 1.00 0.00 C ATOM 1449 O2 C B 218 -55.222 -6.617 0.679 1.00 0.00 O ATOM 1450 N3 C B 218 -54.239 -5.303 2.240 1.00 0.00 N ATOM 1451 C4 C B 218 -54.337 -4.591 3.344 1.00 0.00 C ATOM 1452 N4 C B 218 -53.281 -3.965 3.847 1.00 0.00 N ATOM 1453 C5 C B 218 -55.602 -4.478 4.034 1.00 0.00 C ATOM 1454 C6 C B 218 -56.648 -5.124 3.497 1.00 0.00 C ATOM 0 H5' C B 218 -61.745 -5.313 2.493 1.00 0.00 H new ATOM 0 H5'' C B 218 -61.651 -6.499 3.780 1.00 0.00 H new ATOM 0 H4' C B 218 -60.645 -6.880 1.682 1.00 0.00 H new ATOM 0 H3' C B 218 -58.822 -7.051 4.246 1.00 0.00 H new ATOM 0 H2' C B 218 -57.086 -8.296 2.896 1.00 0.00 H new ATOM 0 HO2' C B 218 -58.060 -9.728 1.751 1.00 0.00 H new ATOM 0 H1' C B 218 -57.374 -6.706 0.723 1.00 0.00 H new ATOM 0 H41 C B 218 -53.372 -3.417 4.703 1.00 0.00 H new ATOM 0 H42 C B 218 -52.378 -4.031 3.378 1.00 0.00 H new ATOM 0 H5 C B 218 -55.701 -3.900 4.941 1.00 0.00 H new ATOM 0 H6 C B 218 -57.610 -5.063 3.984 1.00 0.00 H new ATOM 1466 P C B 219 -59.900 -9.243 5.107 1.00 0.00 P ATOM 1467 OP1 C B 219 -61.247 -9.686 5.530 1.00 0.00 O ATOM 1468 OP2 C B 219 -59.168 -8.326 6.009 1.00 0.00 O ATOM 1469 O5' C B 219 -58.997 -10.545 4.889 1.00 0.00 O ATOM 1470 C5' C B 219 -59.128 -11.311 3.693 1.00 0.00 C ATOM 1471 C4' C B 219 -57.805 -11.951 3.337 1.00 0.00 C ATOM 1472 O4' C B 219 -56.960 -10.926 2.920 1.00 0.00 O ATOM 1473 C3' C B 219 -56.954 -12.349 4.541 1.00 0.00 C ATOM 1474 O3' C B 219 -57.332 -13.666 4.975 1.00 0.00 O ATOM 1475 C2' C B 219 -55.534 -12.315 4.053 1.00 0.00 C ATOM 1476 O2' C B 219 -55.399 -13.557 3.398 1.00 0.00 O ATOM 1477 C1' C B 219 -55.577 -11.093 3.138 1.00 0.00 C ATOM 1478 N1 C B 219 -54.981 -9.883 3.741 1.00 0.00 N ATOM 1479 C2 C B 219 -53.682 -9.546 3.367 1.00 0.00 C ATOM 1480 O2 C B 219 -53.093 -10.268 2.554 1.00 0.00 O ATOM 1481 N3 C B 219 -53.117 -8.448 3.901 1.00 0.00 N ATOM 1482 C4 C B 219 -53.760 -7.689 4.767 1.00 0.00 C ATOM 1483 N4 C B 219 -53.185 -6.610 5.284 1.00 0.00 N ATOM 1484 C5 C B 219 -55.107 -8.017 5.172 1.00 0.00 C ATOM 1485 C6 C B 219 -55.656 -9.114 4.630 1.00 0.00 C ATOM 0 H5' C B 219 -59.462 -10.671 2.877 1.00 0.00 H new ATOM 0 H5'' C B 219 -59.889 -12.080 3.826 1.00 0.00 H new ATOM 0 H4' C B 219 -58.070 -12.774 2.674 1.00 0.00 H new ATOM 0 H3' C B 219 -57.086 -11.683 5.394 1.00 0.00 H new ATOM 0 H2' C B 219 -54.703 -12.218 4.752 1.00 0.00 H new ATOM 0 HO2' C B 219 -56.052 -14.191 3.761 1.00 0.00 H new ATOM 0 HO3' C B 219 -56.786 -13.925 5.747 1.00 0.00 H new ATOM 0 H1' C B 219 -54.992 -11.239 2.230 1.00 0.00 H new ATOM 0 H41 C B 219 -53.694 -6.032 5.953 1.00 0.00 H new ATOM 0 H42 C B 219 -52.234 -6.359 5.012 1.00 0.00 H new ATOM 0 H5 C B 219 -55.648 -7.406 5.880 1.00 0.00 H new ATOM 0 H6 C B 219 -56.662 -9.392 4.909 1.00 0.00 H new TER 1497 C B 219 HETATM 1498 ZN ZN A 128 -50.628 11.886 7.444 1.00 0.00 ZN HETATM 1499 ZN ZN A 149 -54.338 28.174 2.417 1.00 0.00 ZN