USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=30 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+ 163:sc= -2.51 (180deg=-2.92) USER MOD Set 1.2: B 212 A O2' : rot -3:sc= -4.18! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -104:sc= 0.12 (180deg=-0.0674) USER MOD Single : A 2 GLN : amide:sc= -0.0206 X(o=-0.021,f=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -5.89! C(o=-5.9!,f=-12!) USER MOD Single : A 8 ASN :FLIP amide:sc= 0.0748 F(o=-5!,f=0.075) USER MOD Single : A 9 GLN : amide:sc= -3.4! C(o=-3.4!,f=-6.4!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -1.03! USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -7.41! C(o=-7.4!,f=-14!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN :FLIP amide:sc= -4.4! C(o=-6.5!,f=-4.4!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 139:sc= -0.148 (180deg=-2.09!) USER MOD Single : A 38 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.577) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -1.75 K(o=-1.7,f=-8.1!) USER MOD Single : A 46 MET CE :methyl -173:sc= -13.4! (180deg=-14.6!) USER MOD Single : A 47 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.0759) USER MOD Single : A 50 THR OG1 : rot 20:sc= 1.01 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 201 CG1 O2' : rot 16:sc= -1.91 USER MOD Single : B 202 G O2' : rot 1:sc= -0.175 USER MOD Single : B 203 C O2' : rot 22:sc= -0.775 USER MOD Single : B 204 G O2' : rot -17:sc= -1.91! USER MOD Single : B 205 A O2' : rot -171:sc= -2 USER MOD Single : B 206 C O2' : rot -122:sc= 1.18 USER MOD Single : B 207 U O2' : rot -0:sc= -0.866 USER MOD Single : B 208 G O2' : rot 29:sc= 1.4 USER MOD Single : B 209 G O2' : rot 22:sc= 0.223 USER MOD Single : B 210 U O2' : rot 33:sc= -1.68! USER MOD Single : B 211 G O2' : rot 23:sc= 0.653 USER MOD Single : B 213 G O2' : rot -86:sc= -0.169 USER MOD Single : B 214 U O2' : rot 3:sc= 1.42 USER MOD Single : B 215 A O2' : rot -27:sc= 0.57 USER MOD Single : B 216 C O2' : rot 17:sc= -0.464 USER MOD Single : B 217 G O2' : rot -147:sc= 0.741 USER MOD Single : B 218 C O2' : rot -120:sc= 0.574 USER MOD Single : B 219 C O2' : rot -26:sc= 0.483 USER MOD Single : B 219 C O3' : rot 180:sc= 0.362 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -28.790 5.046 7.527 1.00 0.00 N ATOM 2 CA MET A 1 -28.813 6.313 6.817 1.00 0.00 C ATOM 3 C MET A 1 -30.047 7.133 7.199 1.00 0.00 C ATOM 4 O MET A 1 -30.944 6.633 7.877 1.00 0.00 O ATOM 5 CB MET A 1 -28.820 6.054 5.309 1.00 0.00 C ATOM 6 CG MET A 1 -27.420 5.691 4.808 1.00 0.00 C ATOM 7 SD MET A 1 -27.527 4.918 3.203 1.00 0.00 S ATOM 8 CE MET A 1 -25.976 4.033 3.183 1.00 0.00 C ATOM 0 H1 MET A 1 -28.092 5.092 8.297 1.00 0.00 H new ATOM 0 H2 MET A 1 -29.732 4.853 7.924 1.00 0.00 H new ATOM 0 H3 MET A 1 -28.529 4.284 6.869 1.00 0.00 H new ATOM 0 HA MET A 1 -27.923 6.879 7.093 1.00 0.00 H new ATOM 0 HB2 MET A 1 -29.514 5.245 5.079 1.00 0.00 H new ATOM 0 HB3 MET A 1 -29.179 6.940 4.786 1.00 0.00 H new ATOM 0 HG2 MET A 1 -26.802 6.587 4.749 1.00 0.00 H new ATOM 0 HG3 MET A 1 -26.936 5.016 5.514 1.00 0.00 H new ATOM 0 HE1 MET A 1 -25.879 3.490 2.243 1.00 0.00 H new ATOM 0 HE2 MET A 1 -25.152 4.740 3.280 1.00 0.00 H new ATOM 0 HE3 MET A 1 -25.949 3.328 4.014 1.00 0.00 H new ATOM 18 N GLN A 2 -30.054 8.379 6.748 1.00 0.00 N ATOM 19 CA GLN A 2 -31.163 9.273 7.035 1.00 0.00 C ATOM 20 C GLN A 2 -32.488 8.618 6.642 1.00 0.00 C ATOM 21 O GLN A 2 -33.468 8.697 7.381 1.00 0.00 O ATOM 22 CB GLN A 2 -30.983 10.616 6.324 1.00 0.00 C ATOM 23 CG GLN A 2 -30.920 10.429 4.806 1.00 0.00 C ATOM 24 CD GLN A 2 -30.078 11.526 4.152 1.00 0.00 C ATOM 25 OE1 GLN A 2 -30.363 12.707 4.254 1.00 0.00 O ATOM 26 NE2 GLN A 2 -29.027 11.070 3.477 1.00 0.00 N ATOM 0 H GLN A 2 -29.309 8.791 6.186 1.00 0.00 H new ATOM 0 HA GLN A 2 -31.180 9.467 8.108 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -31.809 11.280 6.578 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -30.069 11.097 6.673 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -30.495 9.453 4.574 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -31.928 10.444 4.392 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -28.846 10.067 3.432 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -28.402 11.723 3.005 1.00 0.00 H new ATOM 35 N LYS A 3 -32.476 7.985 5.477 1.00 0.00 N ATOM 36 CA LYS A 3 -33.665 7.317 4.976 1.00 0.00 C ATOM 37 C LYS A 3 -34.080 6.221 5.959 1.00 0.00 C ATOM 38 O LYS A 3 -35.266 6.049 6.237 1.00 0.00 O ATOM 39 CB LYS A 3 -33.435 6.810 3.551 1.00 0.00 C ATOM 40 CG LYS A 3 -34.090 7.736 2.526 1.00 0.00 C ATOM 41 CD LYS A 3 -33.114 8.820 2.064 1.00 0.00 C ATOM 42 CE LYS A 3 -33.833 9.890 1.239 1.00 0.00 C ATOM 43 NZ LYS A 3 -32.859 10.683 0.456 1.00 0.00 N ATOM 0 H LYS A 3 -31.662 7.921 4.866 1.00 0.00 H new ATOM 0 HA LYS A 3 -34.497 8.018 4.909 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -32.365 6.743 3.354 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -33.842 5.804 3.449 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -34.426 7.154 1.668 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -34.974 8.200 2.963 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -32.640 9.281 2.931 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -32.320 8.370 1.469 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -34.550 9.418 0.567 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -34.399 10.547 1.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -33.364 11.404 -0.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -32.190 11.148 1.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -32.337 10.055 -0.188 1.00 0.00 H new ATOM 57 N GLY A 4 -33.082 5.508 6.458 1.00 0.00 N ATOM 58 CA GLY A 4 -33.328 4.433 7.405 1.00 0.00 C ATOM 59 C GLY A 4 -34.032 4.958 8.658 1.00 0.00 C ATOM 60 O GLY A 4 -34.623 4.185 9.412 1.00 0.00 O ATOM 0 H GLY A 4 -32.100 5.653 6.224 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -33.940 3.663 6.936 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -32.384 3.965 7.683 1.00 0.00 H new ATOM 64 N ASN A 5 -33.947 6.267 8.842 1.00 0.00 N ATOM 65 CA ASN A 5 -34.568 6.903 9.992 1.00 0.00 C ATOM 66 C ASN A 5 -36.067 6.598 9.989 1.00 0.00 C ATOM 67 O ASN A 5 -36.672 6.429 11.047 1.00 0.00 O ATOM 68 CB ASN A 5 -34.393 8.423 9.940 1.00 0.00 C ATOM 69 CG ASN A 5 -32.913 8.804 9.917 1.00 0.00 C ATOM 70 OD1 ASN A 5 -32.051 8.029 9.535 1.00 0.00 O ATOM 71 ND2 ASN A 5 -32.666 10.038 10.346 1.00 0.00 N ATOM 0 H ASN A 5 -33.458 6.905 8.214 1.00 0.00 H new ATOM 0 HA ASN A 5 -34.091 6.516 10.892 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -34.888 8.819 9.053 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -34.876 8.878 10.805 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -31.708 10.388 10.369 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -33.434 10.635 10.652 1.00 0.00 H new ATOM 78 N PHE A 6 -36.624 6.538 8.789 1.00 0.00 N ATOM 79 CA PHE A 6 -38.041 6.256 8.635 1.00 0.00 C ATOM 80 C PHE A 6 -38.399 4.896 9.237 1.00 0.00 C ATOM 81 O PHE A 6 -39.574 4.590 9.436 1.00 0.00 O ATOM 82 CB PHE A 6 -38.331 6.227 7.133 1.00 0.00 C ATOM 83 CG PHE A 6 -39.790 5.922 6.786 1.00 0.00 C ATOM 84 CD1 PHE A 6 -40.774 6.191 7.686 1.00 0.00 C ATOM 85 CD2 PHE A 6 -40.103 5.380 5.578 1.00 0.00 C ATOM 86 CE1 PHE A 6 -42.127 5.908 7.365 1.00 0.00 C ATOM 87 CE2 PHE A 6 -41.457 5.098 5.256 1.00 0.00 C ATOM 88 CZ PHE A 6 -42.440 5.367 6.157 1.00 0.00 C ATOM 0 H PHE A 6 -36.120 6.680 7.914 1.00 0.00 H new ATOM 0 HA PHE A 6 -38.629 7.017 9.149 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -38.060 7.191 6.702 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -37.693 5.478 6.665 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -40.525 6.620 8.645 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -39.322 5.164 4.864 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -42.908 6.122 8.080 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -41.706 4.670 4.296 1.00 0.00 H new ATOM 0 HZ PHE A 6 -43.470 5.151 5.913 1.00 0.00 H new ATOM 98 N ARG A 7 -37.363 4.115 9.512 1.00 0.00 N ATOM 99 CA ARG A 7 -37.554 2.795 10.088 1.00 0.00 C ATOM 100 C ARG A 7 -38.295 2.901 11.422 1.00 0.00 C ATOM 101 O ARG A 7 -38.801 1.904 11.936 1.00 0.00 O ATOM 102 CB ARG A 7 -36.213 2.094 10.311 1.00 0.00 C ATOM 103 CG ARG A 7 -36.416 0.609 10.618 1.00 0.00 C ATOM 104 CD ARG A 7 -36.268 -0.237 9.351 1.00 0.00 C ATOM 105 NE ARG A 7 -35.858 -1.614 9.708 1.00 0.00 N ATOM 106 CZ ARG A 7 -35.902 -2.654 8.863 1.00 0.00 C ATOM 107 NH1 ARG A 7 -36.340 -2.480 7.609 1.00 0.00 N ATOM 108 NH2 ARG A 7 -35.510 -3.867 9.274 1.00 0.00 N ATOM 0 H ARG A 7 -36.390 4.372 9.346 1.00 0.00 H new ATOM 0 HA ARG A 7 -38.146 2.208 9.386 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -35.589 2.204 9.424 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -35.682 2.570 11.135 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -35.689 0.285 11.363 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -37.405 0.455 11.049 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -37.212 -0.259 8.806 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -35.528 0.212 8.688 1.00 0.00 H new ATOM 0 HE ARG A 7 -35.521 -1.782 10.656 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -36.640 -1.556 7.297 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -36.373 -3.271 6.966 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -35.178 -3.999 10.229 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -35.543 -4.659 8.632 1.00 0.00 H new ATOM 122 N ASN A 8 -38.335 4.116 11.946 1.00 0.00 N ATOM 123 CA ASN A 8 -39.006 4.365 13.211 1.00 0.00 C ATOM 124 C ASN A 8 -40.486 4.000 13.079 1.00 0.00 C ATOM 125 O ASN A 8 -41.193 3.885 14.079 1.00 0.00 O ATOM 126 CB ASN A 8 -38.917 5.841 13.602 1.00 0.00 C ATOM 127 CG ASN A 8 -39.692 6.717 12.617 1.00 0.00 C ATOM 128 OD1 ASN A 8 -41.009 6.703 12.801 1.00 0.00 O flip ATOM 129 ND2 ASN A 8 -39.133 7.364 11.747 1.00 0.00 N flip ATOM 0 H ASN A 8 -37.913 4.940 11.518 1.00 0.00 H new ATOM 0 HA ASN A 8 -38.518 3.760 13.975 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -39.315 5.979 14.607 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -37.873 6.152 13.627 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -38.117 7.331 11.660 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -39.681 7.938 11.107 1.00 0.00 H new ATOM 136 N GLN A 9 -40.912 3.828 11.836 1.00 0.00 N ATOM 137 CA GLN A 9 -42.294 3.479 11.559 1.00 0.00 C ATOM 138 C GLN A 9 -42.681 2.206 12.315 1.00 0.00 C ATOM 139 O GLN A 9 -43.839 2.032 12.693 1.00 0.00 O ATOM 140 CB GLN A 9 -42.529 3.317 10.056 1.00 0.00 C ATOM 141 CG GLN A 9 -43.953 2.832 9.774 1.00 0.00 C ATOM 142 CD GLN A 9 -44.540 3.542 8.551 1.00 0.00 C ATOM 143 OE1 GLN A 9 -43.916 3.658 7.509 1.00 0.00 O ATOM 144 NE2 GLN A 9 -45.772 4.009 8.737 1.00 0.00 N ATOM 0 H GLN A 9 -40.323 3.924 11.009 1.00 0.00 H new ATOM 0 HA GLN A 9 -42.930 4.293 11.906 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -42.359 4.269 9.553 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -41.811 2.607 9.646 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -43.948 1.755 9.607 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -44.583 3.017 10.644 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -46.237 3.877 9.635 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -46.251 4.499 7.981 1.00 0.00 H new ATOM 153 N ARG A 10 -41.691 1.348 12.511 1.00 0.00 N ATOM 154 CA ARG A 10 -41.913 0.096 13.216 1.00 0.00 C ATOM 155 C ARG A 10 -42.521 0.363 14.594 1.00 0.00 C ATOM 156 O ARG A 10 -43.119 -0.528 15.195 1.00 0.00 O ATOM 157 CB ARG A 10 -40.606 -0.681 13.384 1.00 0.00 C ATOM 158 CG ARG A 10 -40.521 -1.834 12.382 1.00 0.00 C ATOM 159 CD ARG A 10 -39.186 -2.573 12.508 1.00 0.00 C ATOM 160 NE ARG A 10 -38.902 -3.320 11.263 1.00 0.00 N ATOM 161 CZ ARG A 10 -39.547 -4.433 10.891 1.00 0.00 C ATOM 162 NH1 ARG A 10 -40.517 -4.937 11.666 1.00 0.00 N ATOM 163 NH2 ARG A 10 -39.221 -5.045 9.743 1.00 0.00 N ATOM 0 H ARG A 10 -40.733 1.495 12.194 1.00 0.00 H new ATOM 0 HA ARG A 10 -42.603 -0.502 12.621 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -39.759 -0.009 13.244 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -40.539 -1.071 14.400 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -41.343 -2.529 12.552 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -40.633 -1.449 11.369 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -38.384 -1.862 12.706 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -39.219 -3.259 13.354 1.00 0.00 H new ATOM 0 HE ARG A 10 -38.169 -2.965 10.649 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -40.764 -4.473 12.540 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -41.008 -5.785 11.382 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -38.482 -4.663 9.153 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -39.712 -5.893 9.460 1.00 0.00 H new ATOM 177 N LYS A 11 -42.347 1.592 15.054 1.00 0.00 N ATOM 178 CA LYS A 11 -42.871 1.988 16.350 1.00 0.00 C ATOM 179 C LYS A 11 -43.654 3.293 16.203 1.00 0.00 C ATOM 180 O LYS A 11 -43.528 4.194 17.031 1.00 0.00 O ATOM 181 CB LYS A 11 -41.746 2.059 17.385 1.00 0.00 C ATOM 182 CG LYS A 11 -40.857 3.281 17.144 1.00 0.00 C ATOM 183 CD LYS A 11 -40.530 3.989 18.461 1.00 0.00 C ATOM 184 CE LYS A 11 -39.229 3.455 19.061 1.00 0.00 C ATOM 185 NZ LYS A 11 -39.337 3.360 20.534 1.00 0.00 N ATOM 0 H LYS A 11 -41.850 2.328 14.552 1.00 0.00 H new ATOM 0 HA LYS A 11 -43.569 1.238 16.723 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -42.171 2.106 18.387 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -41.144 1.151 17.336 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -39.934 2.973 16.654 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -41.360 3.974 16.469 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -40.442 5.062 18.289 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -41.347 3.845 19.168 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -39.005 2.474 18.643 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -38.402 4.112 18.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -38.445 2.996 20.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -39.529 4.303 20.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -40.113 2.715 20.784 1.00 0.00 H new ATOM 199 N THR A 12 -44.447 3.354 15.143 1.00 0.00 N ATOM 200 CA THR A 12 -45.251 4.535 14.877 1.00 0.00 C ATOM 201 C THR A 12 -44.429 5.580 14.118 1.00 0.00 C ATOM 202 O THR A 12 -43.227 5.711 14.342 1.00 0.00 O ATOM 203 CB THR A 12 -45.800 5.045 16.210 1.00 0.00 C ATOM 204 OG1 THR A 12 -46.088 3.857 16.943 1.00 0.00 O ATOM 205 CG2 THR A 12 -47.159 5.731 16.060 1.00 0.00 C ATOM 0 H THR A 12 -44.550 2.605 14.458 1.00 0.00 H new ATOM 0 HA THR A 12 -46.097 4.300 14.231 1.00 0.00 H new ATOM 0 HB THR A 12 -45.089 5.743 16.653 1.00 0.00 H new ATOM 0 HG1 THR A 12 -46.448 4.095 17.823 1.00 0.00 H new ATOM 0 HG21 THR A 12 -47.503 6.074 17.036 1.00 0.00 H new ATOM 0 HG22 THR A 12 -47.064 6.584 15.388 1.00 0.00 H new ATOM 0 HG23 THR A 12 -47.880 5.024 15.649 1.00 0.00 H new ATOM 213 N VAL A 13 -45.110 6.295 13.236 1.00 0.00 N ATOM 214 CA VAL A 13 -44.458 7.325 12.444 1.00 0.00 C ATOM 215 C VAL A 13 -45.164 8.662 12.673 1.00 0.00 C ATOM 216 O VAL A 13 -46.070 8.757 13.499 1.00 0.00 O ATOM 217 CB VAL A 13 -44.428 6.910 10.971 1.00 0.00 C ATOM 218 CG1 VAL A 13 -45.658 7.435 10.229 1.00 0.00 C ATOM 219 CG2 VAL A 13 -43.138 7.380 10.297 1.00 0.00 C ATOM 0 H VAL A 13 -46.107 6.182 13.052 1.00 0.00 H new ATOM 0 HA VAL A 13 -43.421 7.448 12.756 1.00 0.00 H new ATOM 0 HB VAL A 13 -44.451 5.821 10.928 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -45.612 7.126 9.185 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -46.560 7.030 10.688 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -45.680 8.523 10.285 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -43.141 7.073 9.251 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -43.072 8.466 10.356 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -42.281 6.936 10.803 1.00 0.00 H new ATOM 229 N LYS A 14 -44.722 9.664 11.927 1.00 0.00 N ATOM 230 CA LYS A 14 -45.299 10.993 12.039 1.00 0.00 C ATOM 231 C LYS A 14 -45.558 11.551 10.639 1.00 0.00 C ATOM 232 O LYS A 14 -44.619 11.881 9.914 1.00 0.00 O ATOM 233 CB LYS A 14 -44.413 11.891 12.906 1.00 0.00 C ATOM 234 CG LYS A 14 -45.112 13.217 13.213 1.00 0.00 C ATOM 235 CD LYS A 14 -44.100 14.284 13.636 1.00 0.00 C ATOM 236 CE LYS A 14 -44.786 15.417 14.401 1.00 0.00 C ATOM 237 NZ LYS A 14 -43.780 16.321 15.003 1.00 0.00 N ATOM 0 H LYS A 14 -43.971 9.582 11.242 1.00 0.00 H new ATOM 0 HA LYS A 14 -46.262 10.949 12.548 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -44.171 11.379 13.837 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -43.470 12.083 12.393 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -45.658 13.557 12.333 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -45.845 13.071 14.006 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -43.330 13.832 14.261 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -43.600 14.686 12.755 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -45.432 15.980 13.727 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -45.424 15.002 15.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -44.263 17.084 15.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -43.181 15.784 15.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -43.188 16.731 14.252 1.00 0.00 H new ATOM 251 N CYS A 15 -46.836 11.642 10.299 1.00 0.00 N ATOM 252 CA CYS A 15 -47.229 12.153 8.998 1.00 0.00 C ATOM 253 C CYS A 15 -46.978 13.663 8.980 1.00 0.00 C ATOM 254 O CYS A 15 -47.614 14.411 9.722 1.00 0.00 O ATOM 255 CB CYS A 15 -48.685 11.814 8.673 1.00 0.00 C ATOM 256 SG CYS A 15 -49.041 12.196 6.920 1.00 0.00 S ATOM 0 H CYS A 15 -47.612 11.370 10.903 1.00 0.00 H new ATOM 0 HA CYS A 15 -46.631 11.676 8.221 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -48.874 10.759 8.869 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -49.353 12.383 9.320 1.00 0.00 H new ATOM 261 N PHE A 16 -46.050 14.067 8.126 1.00 0.00 N ATOM 262 CA PHE A 16 -45.707 15.473 8.001 1.00 0.00 C ATOM 263 C PHE A 16 -46.717 16.208 7.119 1.00 0.00 C ATOM 264 O PHE A 16 -46.510 17.368 6.764 1.00 0.00 O ATOM 265 CB PHE A 16 -44.328 15.541 7.343 1.00 0.00 C ATOM 266 CG PHE A 16 -44.371 15.767 5.830 1.00 0.00 C ATOM 267 CD1 PHE A 16 -44.533 14.711 4.989 1.00 0.00 C ATOM 268 CD2 PHE A 16 -44.250 17.026 5.327 1.00 0.00 C ATOM 269 CE1 PHE A 16 -44.573 14.921 3.585 1.00 0.00 C ATOM 270 CE2 PHE A 16 -44.290 17.236 3.924 1.00 0.00 C ATOM 271 CZ PHE A 16 -44.451 16.179 3.082 1.00 0.00 C ATOM 0 H PHE A 16 -45.524 13.444 7.513 1.00 0.00 H new ATOM 0 HA PHE A 16 -45.712 15.945 8.983 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -43.756 16.346 7.804 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -43.793 14.613 7.546 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -44.631 13.712 5.389 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -44.124 17.865 5.995 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -44.700 14.082 2.917 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -44.193 18.235 3.524 1.00 0.00 H new ATOM 0 HZ PHE A 16 -44.482 16.339 2.014 1.00 0.00 H new ATOM 281 N ASN A 17 -47.790 15.503 6.790 1.00 0.00 N ATOM 282 CA ASN A 17 -48.834 16.075 5.956 1.00 0.00 C ATOM 283 C ASN A 17 -50.069 16.359 6.814 1.00 0.00 C ATOM 284 O ASN A 17 -50.454 17.515 6.989 1.00 0.00 O ATOM 285 CB ASN A 17 -49.244 15.106 4.845 1.00 0.00 C ATOM 286 CG ASN A 17 -50.671 15.387 4.371 1.00 0.00 C ATOM 287 OD1 ASN A 17 -51.076 16.521 4.176 1.00 0.00 O ATOM 288 ND2 ASN A 17 -51.407 14.293 4.196 1.00 0.00 N ATOM 0 H ASN A 17 -47.959 14.542 7.086 1.00 0.00 H new ATOM 0 HA ASN A 17 -48.446 16.991 5.511 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -48.554 15.196 4.006 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -49.173 14.081 5.207 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -52.373 14.374 3.880 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -51.005 13.373 4.378 1.00 0.00 H new ATOM 295 N CYS A 18 -50.654 15.287 7.327 1.00 0.00 N ATOM 296 CA CYS A 18 -51.836 15.407 8.162 1.00 0.00 C ATOM 297 C CYS A 18 -51.386 15.720 9.590 1.00 0.00 C ATOM 298 O CYS A 18 -52.125 16.336 10.357 1.00 0.00 O ATOM 299 CB CYS A 18 -52.703 14.148 8.100 1.00 0.00 C ATOM 300 SG CYS A 18 -51.867 12.770 8.967 1.00 0.00 S ATOM 0 H CYS A 18 -50.331 14.331 7.180 1.00 0.00 H new ATOM 0 HA CYS A 18 -52.463 16.219 7.794 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -53.673 14.341 8.558 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -52.889 13.875 7.061 1.00 0.00 H new ATOM 305 N GLY A 19 -50.176 15.281 9.904 1.00 0.00 N ATOM 306 CA GLY A 19 -49.618 15.506 11.227 1.00 0.00 C ATOM 307 C GLY A 19 -49.762 14.260 12.103 1.00 0.00 C ATOM 308 O GLY A 19 -48.880 13.954 12.904 1.00 0.00 O ATOM 0 H GLY A 19 -49.566 14.771 9.265 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -48.565 15.774 11.140 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -50.123 16.348 11.700 1.00 0.00 H new ATOM 312 N LYS A 20 -50.882 13.575 11.921 1.00 0.00 N ATOM 313 CA LYS A 20 -51.153 12.368 12.684 1.00 0.00 C ATOM 314 C LYS A 20 -49.913 11.473 12.672 1.00 0.00 C ATOM 315 O LYS A 20 -48.939 11.764 11.980 1.00 0.00 O ATOM 316 CB LYS A 20 -52.416 11.679 12.164 1.00 0.00 C ATOM 317 CG LYS A 20 -53.635 12.595 12.293 1.00 0.00 C ATOM 318 CD LYS A 20 -54.905 11.785 12.554 1.00 0.00 C ATOM 319 CE LYS A 20 -56.067 12.699 12.948 1.00 0.00 C ATOM 320 NZ LYS A 20 -56.774 13.187 11.742 1.00 0.00 N ATOM 0 H LYS A 20 -51.612 13.833 11.257 1.00 0.00 H new ATOM 0 HA LYS A 20 -51.358 12.613 13.726 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -52.277 11.398 11.120 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -52.588 10.759 12.722 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -53.478 13.303 13.107 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -53.753 13.179 11.380 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -55.170 11.219 11.661 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -54.722 11.061 13.348 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -56.762 12.158 13.590 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -55.693 13.545 13.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -57.560 13.806 12.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -56.112 13.721 11.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -57.148 12.377 11.207 1.00 0.00 H new ATOM 334 N GLU A 21 -49.989 10.400 13.446 1.00 0.00 N ATOM 335 CA GLU A 21 -48.886 9.460 13.533 1.00 0.00 C ATOM 336 C GLU A 21 -49.348 8.059 13.127 1.00 0.00 C ATOM 337 O GLU A 21 -50.542 7.761 13.160 1.00 0.00 O ATOM 338 CB GLU A 21 -48.282 9.452 14.939 1.00 0.00 C ATOM 339 CG GLU A 21 -49.377 9.389 16.006 1.00 0.00 C ATOM 340 CD GLU A 21 -48.778 9.469 17.411 1.00 0.00 C ATOM 341 OE1 GLU A 21 -48.019 10.433 17.651 1.00 0.00 O ATOM 342 OE2 GLU A 21 -49.091 8.564 18.215 1.00 0.00 O ATOM 0 H GLU A 21 -50.799 10.161 14.019 1.00 0.00 H new ATOM 0 HA GLU A 21 -48.107 9.779 12.840 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -47.614 8.597 15.047 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -47.679 10.348 15.085 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -50.080 10.209 15.859 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -49.941 8.462 15.899 1.00 0.00 H new ATOM 349 N GLY A 22 -48.379 7.235 12.753 1.00 0.00 N ATOM 350 CA GLY A 22 -48.673 5.874 12.340 1.00 0.00 C ATOM 351 C GLY A 22 -48.332 5.663 10.864 1.00 0.00 C ATOM 352 O GLY A 22 -47.936 4.569 10.465 1.00 0.00 O ATOM 0 H GLY A 22 -47.390 7.484 12.728 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -48.104 5.174 12.952 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -49.728 5.659 12.507 1.00 0.00 H new ATOM 356 N HIS A 23 -48.500 6.728 10.093 1.00 0.00 N ATOM 357 CA HIS A 23 -48.215 6.672 8.669 1.00 0.00 C ATOM 358 C HIS A 23 -47.575 7.988 8.222 1.00 0.00 C ATOM 359 O HIS A 23 -47.493 8.938 9.000 1.00 0.00 O ATOM 360 CB HIS A 23 -49.477 6.328 7.876 1.00 0.00 C ATOM 361 CG HIS A 23 -50.482 7.451 7.802 1.00 0.00 C ATOM 362 ND1 HIS A 23 -51.635 7.478 8.567 1.00 0.00 N ATOM 363 CD2 HIS A 23 -50.496 8.587 7.047 1.00 0.00 C ATOM 364 CE1 HIS A 23 -52.304 8.584 8.276 1.00 0.00 C ATOM 365 NE2 HIS A 23 -51.596 9.270 7.334 1.00 0.00 N ATOM 0 H HIS A 23 -48.830 7.634 10.427 1.00 0.00 H new ATOM 0 HA HIS A 23 -47.501 5.874 8.468 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -49.191 6.043 6.863 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -49.952 5.458 8.329 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -51.921 6.767 9.240 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -49.739 8.881 6.335 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -53.245 8.889 8.709 1.00 0.00 H new ATOM 373 N ILE A 24 -47.138 8.001 6.972 1.00 0.00 N ATOM 374 CA ILE A 24 -46.509 9.185 6.413 1.00 0.00 C ATOM 375 C ILE A 24 -47.366 9.720 5.264 1.00 0.00 C ATOM 376 O ILE A 24 -48.227 9.011 4.745 1.00 0.00 O ATOM 377 CB ILE A 24 -45.063 8.884 6.011 1.00 0.00 C ATOM 378 CG1 ILE A 24 -44.996 7.691 5.057 1.00 0.00 C ATOM 379 CG2 ILE A 24 -44.182 8.681 7.246 1.00 0.00 C ATOM 380 CD1 ILE A 24 -43.558 7.431 4.602 1.00 0.00 C ATOM 0 H ILE A 24 -47.207 7.211 6.331 1.00 0.00 H new ATOM 0 HA ILE A 24 -46.451 9.974 7.163 1.00 0.00 H new ATOM 0 HB ILE A 24 -44.671 9.748 5.474 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -45.391 6.803 5.551 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -45.627 7.880 4.189 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -43.160 8.469 6.933 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -44.195 9.585 7.855 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -44.563 7.844 7.831 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -43.539 6.577 3.924 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -43.175 8.312 4.087 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -42.934 7.219 5.470 1.00 0.00 H new ATOM 392 N ALA A 25 -47.102 10.967 4.901 1.00 0.00 N ATOM 393 CA ALA A 25 -47.840 11.605 3.824 1.00 0.00 C ATOM 394 C ALA A 25 -47.768 10.727 2.572 1.00 0.00 C ATOM 395 O ALA A 25 -48.740 10.624 1.826 1.00 0.00 O ATOM 396 CB ALA A 25 -47.281 13.009 3.585 1.00 0.00 C ATOM 0 H ALA A 25 -46.387 11.552 5.334 1.00 0.00 H new ATOM 0 HA ALA A 25 -48.891 11.713 4.090 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -47.834 13.488 2.777 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -47.382 13.601 4.495 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -46.228 12.940 3.312 1.00 0.00 H new ATOM 402 N LYS A 26 -46.607 10.118 2.383 1.00 0.00 N ATOM 403 CA LYS A 26 -46.396 9.252 1.235 1.00 0.00 C ATOM 404 C LYS A 26 -47.653 8.414 0.995 1.00 0.00 C ATOM 405 O LYS A 26 -47.945 8.036 -0.139 1.00 0.00 O ATOM 406 CB LYS A 26 -45.126 8.419 1.420 1.00 0.00 C ATOM 407 CG LYS A 26 -45.407 6.933 1.186 1.00 0.00 C ATOM 408 CD LYS A 26 -44.135 6.100 1.361 1.00 0.00 C ATOM 409 CE LYS A 26 -42.942 6.773 0.680 1.00 0.00 C ATOM 410 NZ LYS A 26 -42.223 7.645 1.637 1.00 0.00 N ATOM 0 H LYS A 26 -45.803 10.207 3.005 1.00 0.00 H new ATOM 0 HA LYS A 26 -46.233 9.845 0.335 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -44.358 8.761 0.727 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -44.734 8.565 2.427 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -46.170 6.589 1.884 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -45.805 6.788 0.182 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -43.926 5.968 2.422 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -44.286 5.106 0.940 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -42.263 6.015 0.289 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -43.286 7.362 -0.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -41.277 7.863 1.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -42.755 8.529 1.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -42.131 7.156 2.550 1.00 0.00 H new ATOM 424 N ASN A 27 -48.363 8.147 2.081 1.00 0.00 N ATOM 425 CA ASN A 27 -49.582 7.360 2.003 1.00 0.00 C ATOM 426 C ASN A 27 -50.537 7.796 3.116 1.00 0.00 C ATOM 427 O ASN A 27 -50.946 6.981 3.942 1.00 0.00 O ATOM 428 CB ASN A 27 -49.288 5.869 2.189 1.00 0.00 C ATOM 429 CG ASN A 27 -47.996 5.660 2.979 1.00 0.00 C ATOM 430 OD1 ASN A 27 -47.865 6.467 4.027 1.00 0.00 O flip ATOM 431 ND2 ASN A 27 -47.170 4.820 2.658 1.00 0.00 N flip ATOM 0 H ASN A 27 -48.118 8.462 3.020 1.00 0.00 H new ATOM 0 HA ASN A 27 -50.025 7.520 1.020 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -50.118 5.393 2.711 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -49.205 5.387 1.215 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -47.332 4.232 1.841 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -46.318 4.707 3.207 1.00 0.00 H new ATOM 438 N CYS A 28 -50.864 9.079 3.104 1.00 0.00 N ATOM 439 CA CYS A 28 -51.763 9.632 4.101 1.00 0.00 C ATOM 440 C CYS A 28 -53.182 9.151 3.790 1.00 0.00 C ATOM 441 O CYS A 28 -53.754 9.519 2.765 1.00 0.00 O ATOM 442 CB CYS A 28 -51.677 11.159 4.155 1.00 0.00 C ATOM 443 SG CYS A 28 -52.749 11.799 5.495 1.00 0.00 S ATOM 0 H CYS A 28 -50.522 9.752 2.418 1.00 0.00 H new ATOM 0 HA CYS A 28 -51.471 9.281 5.091 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -50.645 11.468 4.324 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -51.984 11.583 3.199 1.00 0.00 H new ATOM 448 N ARG A 29 -53.708 8.337 4.692 1.00 0.00 N ATOM 449 CA ARG A 29 -55.048 7.801 4.526 1.00 0.00 C ATOM 450 C ARG A 29 -56.076 8.735 5.170 1.00 0.00 C ATOM 451 O ARG A 29 -57.202 8.325 5.451 1.00 0.00 O ATOM 452 CB ARG A 29 -55.168 6.412 5.155 1.00 0.00 C ATOM 453 CG ARG A 29 -54.967 6.476 6.671 1.00 0.00 C ATOM 454 CD ARG A 29 -55.689 5.323 7.369 1.00 0.00 C ATOM 455 NE ARG A 29 -56.834 5.840 8.150 1.00 0.00 N ATOM 456 CZ ARG A 29 -57.431 5.169 9.145 1.00 0.00 C ATOM 457 NH1 ARG A 29 -56.992 3.951 9.488 1.00 0.00 N ATOM 458 NH2 ARG A 29 -58.464 5.718 9.798 1.00 0.00 N ATOM 0 H ARG A 29 -53.230 8.035 5.541 1.00 0.00 H new ATOM 0 HA ARG A 29 -55.243 7.721 3.457 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -56.149 5.992 4.932 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -54.428 5.744 4.714 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -53.903 6.436 6.902 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -55.340 7.427 7.051 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -56.039 4.602 6.630 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -54.998 4.796 8.027 1.00 0.00 H new ATOM 0 HE ARG A 29 -57.192 6.766 7.916 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -56.204 3.535 8.992 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -57.446 3.440 10.245 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -58.796 6.647 9.538 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -58.918 5.207 10.555 1.00 0.00 H new ATOM 472 N ALA A 30 -55.652 9.972 5.384 1.00 0.00 N ATOM 473 CA ALA A 30 -56.521 10.967 5.989 1.00 0.00 C ATOM 474 C ALA A 30 -57.883 10.939 5.292 1.00 0.00 C ATOM 475 O ALA A 30 -57.977 10.583 4.119 1.00 0.00 O ATOM 476 CB ALA A 30 -55.855 12.342 5.911 1.00 0.00 C ATOM 0 H ALA A 30 -54.718 10.308 5.149 1.00 0.00 H new ATOM 0 HA ALA A 30 -56.685 10.743 7.043 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -56.507 13.088 6.365 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -54.905 12.317 6.445 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -55.678 12.602 4.867 1.00 0.00 H new ATOM 482 N PRO A 31 -58.932 11.329 6.065 1.00 0.00 N ATOM 483 CA PRO A 31 -60.284 11.352 5.534 1.00 0.00 C ATOM 484 C PRO A 31 -60.486 12.545 4.597 1.00 0.00 C ATOM 485 O PRO A 31 -61.471 13.273 4.717 1.00 0.00 O ATOM 486 CB PRO A 31 -61.186 11.399 6.757 1.00 0.00 C ATOM 487 CG PRO A 31 -60.307 11.867 7.906 1.00 0.00 C ATOM 488 CD PRO A 31 -58.858 11.757 7.459 1.00 0.00 C ATOM 0 HA PRO A 31 -60.510 10.479 4.921 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -62.021 12.082 6.601 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -61.612 10.418 6.966 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -60.546 12.896 8.175 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -60.480 11.257 8.792 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -58.341 12.712 7.553 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -58.310 11.036 8.066 1.00 0.00 H new ATOM 496 N ARG A 32 -59.538 12.708 3.687 1.00 0.00 N ATOM 497 CA ARG A 32 -59.599 13.800 2.730 1.00 0.00 C ATOM 498 C ARG A 32 -58.243 13.982 2.045 1.00 0.00 C ATOM 499 O ARG A 32 -57.299 13.242 2.322 1.00 0.00 O ATOM 500 CB ARG A 32 -59.997 15.110 3.414 1.00 0.00 C ATOM 501 CG ARG A 32 -61.434 15.497 3.060 1.00 0.00 C ATOM 502 CD ARG A 32 -62.193 15.980 4.298 1.00 0.00 C ATOM 503 NE ARG A 32 -63.499 15.291 4.391 1.00 0.00 N ATOM 504 CZ ARG A 32 -64.239 15.232 5.507 1.00 0.00 C ATOM 505 NH1 ARG A 32 -63.806 15.820 6.631 1.00 0.00 N ATOM 506 NH2 ARG A 32 -65.412 14.585 5.499 1.00 0.00 N ATOM 0 H ARG A 32 -58.723 12.102 3.592 1.00 0.00 H new ATOM 0 HA ARG A 32 -60.355 13.547 1.986 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -59.900 15.004 4.495 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -59.317 15.905 3.109 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -61.427 16.282 2.304 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -61.948 14.640 2.625 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -61.605 15.785 5.195 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -62.344 17.058 4.244 1.00 0.00 H new ATOM 0 HE ARG A 32 -63.859 14.832 3.554 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -62.913 16.313 6.637 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -64.370 15.775 7.480 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -65.742 14.137 4.644 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -65.975 14.540 6.348 1.00 0.00 H new ATOM 520 N LYS A 33 -58.188 14.970 1.164 1.00 0.00 N ATOM 521 CA LYS A 33 -56.963 15.259 0.438 1.00 0.00 C ATOM 522 C LYS A 33 -56.132 16.271 1.229 1.00 0.00 C ATOM 523 O LYS A 33 -55.239 16.912 0.678 1.00 0.00 O ATOM 524 CB LYS A 33 -57.280 15.706 -0.991 1.00 0.00 C ATOM 525 CG LYS A 33 -56.589 14.803 -2.013 1.00 0.00 C ATOM 526 CD LYS A 33 -57.580 13.815 -2.632 1.00 0.00 C ATOM 527 CE LYS A 33 -58.561 14.532 -3.562 1.00 0.00 C ATOM 528 NZ LYS A 33 -58.462 13.991 -4.936 1.00 0.00 N ATOM 0 H LYS A 33 -58.973 15.581 0.936 1.00 0.00 H new ATOM 0 HA LYS A 33 -56.358 14.358 0.339 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -58.358 15.685 -1.152 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -56.956 16.737 -1.134 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -56.140 15.413 -2.797 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -55.778 14.256 -1.531 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -57.037 13.051 -3.189 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -58.130 13.303 -1.842 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -59.578 14.412 -3.190 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -58.349 15.601 -3.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -59.134 14.488 -5.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -57.495 14.128 -5.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -58.687 12.976 -4.926 1.00 0.00 H new ATOM 542 N LYS A 34 -56.456 16.382 2.509 1.00 0.00 N ATOM 543 CA LYS A 34 -55.751 17.305 3.382 1.00 0.00 C ATOM 544 C LYS A 34 -56.021 18.740 2.924 1.00 0.00 C ATOM 545 O LYS A 34 -56.831 18.967 2.028 1.00 0.00 O ATOM 546 CB LYS A 34 -54.264 16.950 3.448 1.00 0.00 C ATOM 547 CG LYS A 34 -53.838 16.641 4.885 1.00 0.00 C ATOM 548 CD LYS A 34 -53.352 17.905 5.597 1.00 0.00 C ATOM 549 CE LYS A 34 -54.467 18.516 6.449 1.00 0.00 C ATOM 550 NZ LYS A 34 -54.344 19.991 6.482 1.00 0.00 N ATOM 0 H LYS A 34 -57.197 15.848 2.962 1.00 0.00 H new ATOM 0 HA LYS A 34 -56.121 17.221 4.404 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -54.064 16.088 2.812 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -53.671 17.778 3.059 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -54.677 16.211 5.432 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -53.044 15.894 4.880 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -52.497 17.665 6.228 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -53.011 18.633 4.861 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -55.439 18.235 6.043 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -54.418 18.118 7.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -55.288 20.420 6.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -53.906 20.283 7.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -53.752 20.308 5.688 1.00 0.00 H new ATOM 564 N GLY A 35 -55.324 19.671 3.561 1.00 0.00 N ATOM 565 CA GLY A 35 -55.479 21.077 3.230 1.00 0.00 C ATOM 566 C GLY A 35 -54.203 21.859 3.553 1.00 0.00 C ATOM 567 O GLY A 35 -53.203 21.278 3.969 1.00 0.00 O ATOM 0 H GLY A 35 -54.652 19.479 4.304 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -55.716 21.181 2.171 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -56.317 21.495 3.787 1.00 0.00 H new ATOM 571 N CYS A 36 -54.282 23.166 3.347 1.00 0.00 N ATOM 572 CA CYS A 36 -53.146 24.034 3.611 1.00 0.00 C ATOM 573 C CYS A 36 -52.794 23.926 5.096 1.00 0.00 C ATOM 574 O CYS A 36 -53.639 24.167 5.958 1.00 0.00 O ATOM 575 CB CYS A 36 -53.430 25.478 3.195 1.00 0.00 C ATOM 576 SG CYS A 36 -51.961 26.521 3.515 1.00 0.00 S ATOM 0 H CYS A 36 -55.114 23.644 3.001 1.00 0.00 H new ATOM 0 HA CYS A 36 -52.293 23.714 3.013 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -53.690 25.516 2.137 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -54.287 25.863 3.748 1.00 0.00 H new ATOM 581 N TRP A 37 -51.545 23.563 5.350 1.00 0.00 N ATOM 582 CA TRP A 37 -51.071 23.420 6.716 1.00 0.00 C ATOM 583 C TRP A 37 -50.969 24.818 7.330 1.00 0.00 C ATOM 584 O TRP A 37 -50.683 24.960 8.518 1.00 0.00 O ATOM 585 CB TRP A 37 -49.749 22.651 6.760 1.00 0.00 C ATOM 586 CG TRP A 37 -49.761 21.347 5.959 1.00 0.00 C ATOM 587 CD1 TRP A 37 -50.803 20.541 5.709 1.00 0.00 C ATOM 588 CD2 TRP A 37 -48.632 20.729 5.305 1.00 0.00 C ATOM 589 NE1 TRP A 37 -50.429 19.453 4.948 1.00 0.00 N ATOM 590 CE2 TRP A 37 -49.067 19.572 4.694 1.00 0.00 C ATOM 591 CE3 TRP A 37 -47.289 21.135 5.235 1.00 0.00 C ATOM 592 CZ2 TRP A 37 -48.222 18.724 3.969 1.00 0.00 C ATOM 593 CZ3 TRP A 37 -46.456 20.278 4.506 1.00 0.00 C ATOM 594 CH2 TRP A 37 -46.877 19.108 3.884 1.00 0.00 C ATOM 0 H TRP A 37 -50.847 23.364 4.633 1.00 0.00 H new ATOM 0 HA TRP A 37 -51.771 22.830 7.307 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -48.954 23.292 6.379 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -49.506 22.425 7.798 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -51.809 20.721 6.059 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -51.039 18.700 4.630 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -46.928 22.037 5.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -48.587 17.822 3.500 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -45.413 20.544 4.421 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -46.172 18.499 3.339 1.00 0.00 H new ATOM 605 N LYS A 38 -51.209 25.816 6.492 1.00 0.00 N ATOM 606 CA LYS A 38 -51.147 27.199 6.937 1.00 0.00 C ATOM 607 C LYS A 38 -52.528 27.632 7.431 1.00 0.00 C ATOM 608 O LYS A 38 -52.760 27.721 8.636 1.00 0.00 O ATOM 609 CB LYS A 38 -50.580 28.092 5.832 1.00 0.00 C ATOM 610 CG LYS A 38 -49.585 29.105 6.403 1.00 0.00 C ATOM 611 CD LYS A 38 -48.974 29.958 5.291 1.00 0.00 C ATOM 612 CE LYS A 38 -47.460 30.089 5.470 1.00 0.00 C ATOM 613 NZ LYS A 38 -46.835 30.621 4.238 1.00 0.00 N ATOM 0 H LYS A 38 -51.447 25.695 5.507 1.00 0.00 H new ATOM 0 HA LYS A 38 -50.461 27.299 7.778 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -50.087 27.477 5.079 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -51.393 28.618 5.331 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -50.089 29.748 7.125 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -48.795 28.581 6.940 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -49.192 29.509 4.322 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -49.431 30.947 5.294 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -47.243 30.750 6.309 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -47.031 29.116 5.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -45.921 30.150 4.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -47.461 30.443 3.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -46.683 31.645 4.340 1.00 0.00 H new ATOM 627 N CYS A 39 -53.409 27.889 6.477 1.00 0.00 N ATOM 628 CA CYS A 39 -54.762 28.312 6.800 1.00 0.00 C ATOM 629 C CYS A 39 -55.487 27.138 7.461 1.00 0.00 C ATOM 630 O CYS A 39 -56.150 27.309 8.482 1.00 0.00 O ATOM 631 CB CYS A 39 -55.507 28.819 5.564 1.00 0.00 C ATOM 632 SG CYS A 39 -55.908 27.419 4.456 1.00 0.00 S ATOM 0 H CYS A 39 -53.213 27.813 5.479 1.00 0.00 H new ATOM 0 HA CYS A 39 -54.727 29.153 7.492 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -56.422 29.329 5.865 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -54.895 29.549 5.034 1.00 0.00 H new ATOM 637 N GLY A 40 -55.333 25.971 6.852 1.00 0.00 N ATOM 638 CA GLY A 40 -55.965 24.769 7.370 1.00 0.00 C ATOM 639 C GLY A 40 -57.276 24.479 6.636 1.00 0.00 C ATOM 640 O GLY A 40 -58.279 24.138 7.260 1.00 0.00 O ATOM 0 H GLY A 40 -54.781 25.832 6.006 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -55.288 23.922 7.261 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -56.159 24.886 8.436 1.00 0.00 H new ATOM 644 N LYS A 41 -57.225 24.625 5.319 1.00 0.00 N ATOM 645 CA LYS A 41 -58.396 24.384 4.494 1.00 0.00 C ATOM 646 C LYS A 41 -58.109 23.226 3.536 1.00 0.00 C ATOM 647 O LYS A 41 -57.120 23.249 2.805 1.00 0.00 O ATOM 648 CB LYS A 41 -58.830 25.671 3.789 1.00 0.00 C ATOM 649 CG LYS A 41 -60.312 25.958 4.036 1.00 0.00 C ATOM 650 CD LYS A 41 -60.842 26.994 3.042 1.00 0.00 C ATOM 651 CE LYS A 41 -61.729 28.024 3.745 1.00 0.00 C ATOM 652 NZ LYS A 41 -61.353 29.396 3.335 1.00 0.00 N ATOM 0 H LYS A 41 -56.391 24.907 4.804 1.00 0.00 H new ATOM 0 HA LYS A 41 -59.243 24.086 5.113 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -58.229 26.507 4.148 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -58.646 25.583 2.718 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -60.885 25.035 3.945 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -60.451 26.321 5.054 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -60.006 27.499 2.557 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -61.411 26.494 2.258 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -62.775 27.839 3.501 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -61.630 27.921 4.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -61.964 30.083 3.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -60.361 29.575 3.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -61.470 29.495 2.306 1.00 0.00 H new ATOM 666 N GLU A 42 -58.993 22.239 3.571 1.00 0.00 N ATOM 667 CA GLU A 42 -58.846 21.073 2.715 1.00 0.00 C ATOM 668 C GLU A 42 -59.185 21.432 1.267 1.00 0.00 C ATOM 669 O GLU A 42 -60.040 22.281 1.018 1.00 0.00 O ATOM 670 CB GLU A 42 -59.717 19.917 3.211 1.00 0.00 C ATOM 671 CG GLU A 42 -61.203 20.264 3.106 1.00 0.00 C ATOM 672 CD GLU A 42 -61.804 20.524 4.489 1.00 0.00 C ATOM 673 OE1 GLU A 42 -62.212 19.530 5.127 1.00 0.00 O ATOM 674 OE2 GLU A 42 -61.843 21.713 4.876 1.00 0.00 O ATOM 0 H GLU A 42 -59.813 22.223 4.178 1.00 0.00 H new ATOM 0 HA GLU A 42 -57.807 20.746 2.754 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -59.507 19.022 2.626 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -59.466 19.687 4.246 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -61.331 21.146 2.478 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -61.738 19.447 2.621 1.00 0.00 H new ATOM 681 N GLY A 43 -58.497 20.768 0.350 1.00 0.00 N ATOM 682 CA GLY A 43 -58.713 21.007 -1.067 1.00 0.00 C ATOM 683 C GLY A 43 -57.524 21.742 -1.687 1.00 0.00 C ATOM 684 O GLY A 43 -57.246 21.588 -2.876 1.00 0.00 O ATOM 0 H GLY A 43 -57.789 20.064 0.561 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -58.866 20.058 -1.580 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -59.621 21.594 -1.206 1.00 0.00 H new ATOM 688 N HIS A 44 -56.853 22.526 -0.855 1.00 0.00 N ATOM 689 CA HIS A 44 -55.701 23.285 -1.307 1.00 0.00 C ATOM 690 C HIS A 44 -54.545 23.100 -0.320 1.00 0.00 C ATOM 691 O HIS A 44 -54.759 22.705 0.825 1.00 0.00 O ATOM 692 CB HIS A 44 -56.068 24.754 -1.520 1.00 0.00 C ATOM 693 CG HIS A 44 -55.985 25.597 -0.270 1.00 0.00 C ATOM 694 ND1 HIS A 44 -57.077 25.838 0.545 1.00 0.00 N ATOM 695 CD2 HIS A 44 -54.930 26.250 0.297 1.00 0.00 C ATOM 696 CE1 HIS A 44 -56.686 26.604 1.554 1.00 0.00 C ATOM 697 NE2 HIS A 44 -55.356 26.858 1.398 1.00 0.00 N ATOM 0 H HIS A 44 -57.086 22.651 0.130 1.00 0.00 H new ATOM 0 HA HIS A 44 -55.371 22.909 -2.275 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -55.406 25.177 -2.275 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -57.082 24.810 -1.917 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -58.022 25.486 0.395 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -53.920 26.269 -0.085 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -57.311 26.963 2.358 1.00 0.00 H new ATOM 705 N GLN A 45 -53.346 23.394 -0.802 1.00 0.00 N ATOM 706 CA GLN A 45 -52.157 23.264 0.023 1.00 0.00 C ATOM 707 C GLN A 45 -51.448 24.615 0.147 1.00 0.00 C ATOM 708 O GLN A 45 -51.872 25.601 -0.454 1.00 0.00 O ATOM 709 CB GLN A 45 -51.213 22.200 -0.539 1.00 0.00 C ATOM 710 CG GLN A 45 -50.861 22.493 -1.999 1.00 0.00 C ATOM 711 CD GLN A 45 -49.355 22.367 -2.235 1.00 0.00 C ATOM 712 OE1 GLN A 45 -48.537 22.712 -1.398 1.00 0.00 O ATOM 713 NE2 GLN A 45 -49.035 21.852 -3.420 1.00 0.00 N ATOM 0 H GLN A 45 -53.173 23.721 -1.752 1.00 0.00 H new ATOM 0 HA GLN A 45 -52.462 22.942 1.019 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -50.302 22.165 0.058 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -51.681 21.218 -0.464 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -51.394 21.801 -2.651 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -51.191 23.498 -2.262 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -49.770 21.584 -4.075 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -48.055 21.726 -3.673 1.00 0.00 H new ATOM 722 N MET A 46 -50.380 24.616 0.931 1.00 0.00 N ATOM 723 CA MET A 46 -49.607 25.829 1.141 1.00 0.00 C ATOM 724 C MET A 46 -49.160 26.433 -0.192 1.00 0.00 C ATOM 725 O MET A 46 -49.341 27.627 -0.428 1.00 0.00 O ATOM 726 CB MET A 46 -48.378 25.510 1.996 1.00 0.00 C ATOM 727 CG MET A 46 -48.777 25.239 3.448 1.00 0.00 C ATOM 728 SD MET A 46 -47.327 24.853 4.415 1.00 0.00 S ATOM 729 CE MET A 46 -46.805 23.351 3.605 1.00 0.00 C ATOM 0 H MET A 46 -50.032 23.797 1.428 1.00 0.00 H new ATOM 0 HA MET A 46 -50.238 26.555 1.653 1.00 0.00 H new ATOM 0 HB2 MET A 46 -47.862 24.641 1.588 1.00 0.00 H new ATOM 0 HB3 MET A 46 -47.677 26.344 1.957 1.00 0.00 H new ATOM 0 HG2 MET A 46 -49.281 26.111 3.865 1.00 0.00 H new ATOM 0 HG3 MET A 46 -49.485 24.411 3.491 1.00 0.00 H new ATOM 0 HE1 MET A 46 -45.981 22.905 4.161 1.00 0.00 H new ATOM 0 HE2 MET A 46 -47.638 22.650 3.567 1.00 0.00 H new ATOM 0 HE3 MET A 46 -46.477 23.580 2.591 1.00 0.00 H new ATOM 739 N LYS A 47 -48.585 25.580 -1.027 1.00 0.00 N ATOM 740 CA LYS A 47 -48.111 26.014 -2.330 1.00 0.00 C ATOM 741 C LYS A 47 -49.279 26.605 -3.123 1.00 0.00 C ATOM 742 O LYS A 47 -49.072 27.296 -4.119 1.00 0.00 O ATOM 743 CB LYS A 47 -47.397 24.869 -3.051 1.00 0.00 C ATOM 744 CG LYS A 47 -46.247 25.394 -3.912 1.00 0.00 C ATOM 745 CD LYS A 47 -44.974 25.567 -3.081 1.00 0.00 C ATOM 746 CE LYS A 47 -43.861 24.648 -3.588 1.00 0.00 C ATOM 747 NZ LYS A 47 -44.235 23.228 -3.402 1.00 0.00 N ATOM 0 H LYS A 47 -48.437 24.591 -0.827 1.00 0.00 H new ATOM 0 HA LYS A 47 -47.367 26.803 -2.219 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -47.013 24.158 -2.320 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -48.108 24.330 -3.677 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -46.058 24.703 -4.733 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -46.528 26.349 -4.357 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -44.643 26.605 -3.127 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -45.185 25.346 -2.035 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -43.671 24.845 -4.643 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -42.935 24.859 -3.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -43.388 22.631 -3.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -44.651 23.099 -2.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -44.929 22.954 -4.127 1.00 0.00 H new ATOM 761 N ASP A 48 -50.482 26.313 -2.650 1.00 0.00 N ATOM 762 CA ASP A 48 -51.683 26.806 -3.302 1.00 0.00 C ATOM 763 C ASP A 48 -52.612 27.419 -2.252 1.00 0.00 C ATOM 764 O ASP A 48 -53.823 27.207 -2.290 1.00 0.00 O ATOM 765 CB ASP A 48 -52.438 25.672 -3.997 1.00 0.00 C ATOM 766 CG ASP A 48 -51.860 25.242 -5.347 1.00 0.00 C ATOM 767 OD1 ASP A 48 -51.506 26.151 -6.128 1.00 0.00 O ATOM 768 OD2 ASP A 48 -51.786 24.014 -5.567 1.00 0.00 O ATOM 0 H ASP A 48 -50.650 25.741 -1.823 1.00 0.00 H new ATOM 0 HA ASP A 48 -51.384 27.547 -4.043 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -52.455 24.807 -3.334 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -53.473 25.981 -4.144 1.00 0.00 H new ATOM 773 N CYS A 49 -52.010 28.169 -1.340 1.00 0.00 N ATOM 774 CA CYS A 49 -52.768 28.814 -0.282 1.00 0.00 C ATOM 775 C CYS A 49 -53.133 30.226 -0.745 1.00 0.00 C ATOM 776 O CYS A 49 -52.254 31.066 -0.936 1.00 0.00 O ATOM 777 CB CYS A 49 -51.997 28.828 1.039 1.00 0.00 C ATOM 778 SG CYS A 49 -53.056 29.493 2.375 1.00 0.00 S ATOM 0 H CYS A 49 -51.006 28.344 -1.312 1.00 0.00 H new ATOM 0 HA CYS A 49 -53.680 28.249 -0.088 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -51.671 27.819 1.290 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -51.099 29.437 0.939 1.00 0.00 H new ATOM 783 N THR A 50 -54.428 30.444 -0.911 1.00 0.00 N ATOM 784 CA THR A 50 -54.919 31.741 -1.348 1.00 0.00 C ATOM 785 C THR A 50 -55.208 32.635 -0.142 1.00 0.00 C ATOM 786 O THR A 50 -55.676 33.762 -0.299 1.00 0.00 O ATOM 787 CB THR A 50 -56.141 31.507 -2.239 1.00 0.00 C ATOM 788 OG1 THR A 50 -56.809 32.766 -2.248 1.00 0.00 O ATOM 789 CG2 THR A 50 -57.153 30.551 -1.606 1.00 0.00 C ATOM 0 H THR A 50 -55.153 29.745 -0.751 1.00 0.00 H new ATOM 0 HA THR A 50 -54.169 32.272 -1.934 1.00 0.00 H new ATOM 0 HB THR A 50 -55.819 31.108 -3.201 1.00 0.00 H new ATOM 0 HG1 THR A 50 -56.183 33.470 -1.978 1.00 0.00 H new ATOM 0 HG21 THR A 50 -58.000 30.420 -2.279 1.00 0.00 H new ATOM 0 HG22 THR A 50 -56.679 29.586 -1.427 1.00 0.00 H new ATOM 0 HG23 THR A 50 -57.502 30.965 -0.660 1.00 0.00 H new ATOM 797 N GLU A 51 -54.918 32.100 1.034 1.00 0.00 N ATOM 798 CA GLU A 51 -55.141 32.836 2.267 1.00 0.00 C ATOM 799 C GLU A 51 -53.832 32.976 3.047 1.00 0.00 C ATOM 800 O GLU A 51 -53.712 32.472 4.162 1.00 0.00 O ATOM 801 CB GLU A 51 -56.217 32.162 3.121 1.00 0.00 C ATOM 802 CG GLU A 51 -57.032 33.200 3.895 1.00 0.00 C ATOM 803 CD GLU A 51 -58.534 32.972 3.703 1.00 0.00 C ATOM 804 OE1 GLU A 51 -58.975 31.836 3.982 1.00 0.00 O ATOM 805 OE2 GLU A 51 -59.205 33.938 3.281 1.00 0.00 O ATOM 0 H GLU A 51 -54.530 31.165 1.160 1.00 0.00 H new ATOM 0 HA GLU A 51 -55.498 33.834 2.011 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -56.879 31.577 2.483 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -55.750 31.467 3.819 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -56.785 33.145 4.955 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -56.766 34.202 3.557 1.00 0.00 H new ATOM 812 N ARG A 52 -52.884 33.665 2.428 1.00 0.00 N ATOM 813 CA ARG A 52 -51.588 33.879 3.050 1.00 0.00 C ATOM 814 C ARG A 52 -51.427 35.346 3.451 1.00 0.00 C ATOM 815 O ARG A 52 -50.969 36.164 2.656 1.00 0.00 O ATOM 816 CB ARG A 52 -50.451 33.489 2.102 1.00 0.00 C ATOM 817 CG ARG A 52 -49.332 32.769 2.855 1.00 0.00 C ATOM 818 CD ARG A 52 -47.973 33.410 2.562 1.00 0.00 C ATOM 819 NE ARG A 52 -47.234 32.597 1.570 1.00 0.00 N ATOM 820 CZ ARG A 52 -46.256 33.073 0.788 1.00 0.00 C ATOM 821 NH1 ARG A 52 -45.894 34.360 0.877 1.00 0.00 N ATOM 822 NH2 ARG A 52 -45.641 32.263 -0.084 1.00 0.00 N ATOM 0 H ARG A 52 -52.987 34.082 1.503 1.00 0.00 H new ATOM 0 HA ARG A 52 -51.539 33.249 3.938 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -50.836 32.844 1.312 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -50.053 34.381 1.619 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -49.530 32.802 3.926 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -49.312 31.718 2.566 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -48.113 34.422 2.183 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -47.394 33.491 3.482 1.00 0.00 H new ATOM 0 HE ARG A 52 -47.485 31.613 1.476 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -46.363 34.977 1.540 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -45.149 34.723 0.282 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -45.917 31.284 -0.153 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -44.896 32.626 -0.679 1.00 0.00 H new ATOM 836 N GLN A 53 -51.813 35.634 4.685 1.00 0.00 N ATOM 837 CA GLN A 53 -51.717 36.989 5.202 1.00 0.00 C ATOM 838 C GLN A 53 -52.704 37.905 4.476 1.00 0.00 C ATOM 839 O GLN A 53 -52.594 38.107 3.267 1.00 0.00 O ATOM 840 CB GLN A 53 -50.288 37.520 5.085 1.00 0.00 C ATOM 841 CG GLN A 53 -49.708 37.840 6.465 1.00 0.00 C ATOM 842 CD GLN A 53 -48.609 38.901 6.365 1.00 0.00 C ATOM 843 OE1 GLN A 53 -47.468 38.621 6.040 1.00 0.00 O ATOM 844 NE2 GLN A 53 -49.018 40.132 6.661 1.00 0.00 N ATOM 0 H GLN A 53 -52.193 34.953 5.342 1.00 0.00 H new ATOM 0 HA GLN A 53 -51.978 36.973 6.260 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -49.661 36.781 4.585 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -50.279 38.417 4.466 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -50.501 38.194 7.124 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -49.303 36.932 6.913 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -49.989 40.297 6.926 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -48.360 40.911 6.623 1.00 0.00 H new ATOM 853 N ALA A 54 -53.645 38.435 5.243 1.00 0.00 N ATOM 854 CA ALA A 54 -54.650 39.325 4.687 1.00 0.00 C ATOM 855 C ALA A 54 -54.001 40.665 4.336 1.00 0.00 C ATOM 856 O ALA A 54 -52.825 40.883 4.624 1.00 0.00 O ATOM 857 CB ALA A 54 -55.803 39.478 5.682 1.00 0.00 C ATOM 0 H ALA A 54 -53.733 38.265 6.245 1.00 0.00 H new ATOM 0 HA ALA A 54 -55.065 38.909 3.769 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -56.557 40.146 5.265 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -56.249 38.502 5.875 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -55.425 39.895 6.615 1.00 0.00 H new ATOM 863 N ASN A 55 -54.796 41.528 3.719 1.00 0.00 N ATOM 864 CA ASN A 55 -54.312 42.840 3.326 1.00 0.00 C ATOM 865 C ASN A 55 -53.977 43.652 4.578 1.00 0.00 C ATOM 866 O ASN A 55 -54.831 43.849 5.442 1.00 0.00 O ATOM 867 CB ASN A 55 -55.377 43.605 2.537 1.00 0.00 C ATOM 868 CG ASN A 55 -54.929 43.837 1.093 1.00 0.00 C ATOM 869 OD1 ASN A 55 -54.146 44.723 0.794 1.00 0.00 O ATOM 870 ND2 ASN A 55 -55.469 42.994 0.218 1.00 0.00 N ATOM 0 H ASN A 55 -55.771 41.344 3.482 1.00 0.00 H new ATOM 0 HA ASN A 55 -53.430 42.701 2.701 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -56.313 43.046 2.546 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -55.574 44.563 3.019 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -55.234 43.067 -0.772 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -56.118 42.275 0.537 1.00 0.00 H new HETATM 877 N NH2 A 56 -52.732 44.102 4.638 1.00 0.00 N TER 878 NH2 A 56 HETATM 879 OP3 CG1 B 201 -40.315 -6.765 1.165 1.00 0.00 O HETATM 880 P CG1 B 201 -40.309 -6.526 -0.417 1.00 0.00 P HETATM 881 OP1 CG1 B 201 -39.123 -7.178 -1.015 1.00 0.00 O HETATM 882 OP2 CG1 B 201 -40.516 -5.089 -0.704 1.00 0.00 O HETATM 883 O5' CG1 B 201 -41.609 -7.320 -0.906 1.00 0.00 O HETATM 884 C5' CG1 B 201 -41.654 -8.742 -0.812 1.00 0.00 C HETATM 885 C4' CG1 B 201 -43.001 -9.252 -1.272 1.00 0.00 C HETATM 886 O4' CG1 B 201 -43.937 -9.388 -0.575 1.00 0.00 O HETATM 887 C3' CG1 B 201 -43.587 -8.497 -2.461 1.00 0.00 C HETATM 888 O3' CG1 B 201 -42.869 -8.844 -3.643 1.00 0.00 O HETATM 889 C2' CG1 B 201 -45.023 -8.934 -2.540 1.00 0.00 C HETATM 890 O2' CG1 B 201 -45.000 -9.889 -3.578 1.00 0.00 O HETATM 891 C1' CG1 B 201 -45.226 -9.496 -1.137 1.00 0.00 C HETATM 892 N9 CG1 B 201 -46.220 -8.746 -0.340 1.00 0.00 N HETATM 893 C8 CG1 B 201 -46.023 -7.606 0.353 1.00 0.00 C HETATM 894 N7 CG1 B 201 -47.123 -7.182 0.968 1.00 0.00 N HETATM 895 C5 CG1 B 201 -48.065 -8.118 0.636 1.00 0.00 C HETATM 896 C6 CG1 B 201 -49.430 -8.231 0.976 1.00 0.00 C HETATM 897 O6 CG1 B 201 -50.056 -7.444 1.685 1.00 0.00 O HETATM 898 N1 CG1 B 201 -50.113 -9.298 0.479 1.00 0.00 N HETATM 899 C2 CG1 B 201 -49.452 -10.179 -0.304 1.00 0.00 C HETATM 900 N2 CG1 B 201 -50.252 -11.162 -0.709 1.00 0.00 N HETATM 901 N3 CG1 B 201 -48.161 -10.171 -0.690 1.00 0.00 N HETATM 902 C4 CG1 B 201 -47.537 -9.082 -0.161 1.00 0.00 C HETATM 906 C CG1 B 201 -41.450 -7.358 1.793 1.00 0.00 C HETATM 0 HO2' CG1 B 201 -44.075 -10.162 -3.751 1.00 0.00 H new HETATM 0 HN2A CG1 B 201 -49.887 -11.902 -1.309 1.00 0.00 H new HETATM 0 H5'A CG1 B 201 -40.864 -9.179 -1.422 1.00 0.00 H new HETATM 0 HN2 CG1 B 201 -51.230 -11.175 -0.420 1.00 0.00 H new HETATM 0 HN1 CG1 B 201 -51.102 -9.430 0.693 1.00 0.00 H new HETATM 0 HB CG1 B 201 -42.329 -6.737 1.618 1.00 0.00 H new HETATM 0 HA CG1 B 201 -41.619 -8.351 1.377 1.00 0.00 H new HETATM 0 H8 CG1 B 201 -45.065 -7.088 0.404 1.00 0.00 H new HETATM 0 H5' CG1 B 201 -41.471 -9.052 0.217 1.00 0.00 H new HETATM 0 H4' CG1 B 201 -42.597 -10.251 -1.437 1.00 0.00 H new HETATM 0 H3' CG1 B 201 -43.516 -7.415 -2.354 1.00 0.00 H new HETATM 0 H2' CG1 B 201 -45.816 -8.220 -2.764 1.00 0.00 H new HETATM 0 H1' CG1 B 201 -45.625 -10.510 -1.156 1.00 0.00 H new HETATM 0 H CG1 B 201 -41.271 -7.440 2.865 1.00 0.00 H new ATOM 915 P G B 202 -42.462 -7.709 -4.695 1.00 0.00 P ATOM 916 OP1 G B 202 -41.481 -8.252 -5.661 1.00 0.00 O ATOM 917 OP2 G B 202 -42.096 -6.469 -3.974 1.00 0.00 O ATOM 918 O5' G B 202 -43.830 -7.438 -5.479 1.00 0.00 O ATOM 919 C5' G B 202 -44.553 -8.527 -6.050 1.00 0.00 C ATOM 920 C4' G B 202 -46.036 -8.342 -5.823 1.00 0.00 C ATOM 921 O4' G B 202 -46.737 -8.408 -4.617 1.00 0.00 O ATOM 922 C3' G B 202 -46.556 -6.948 -6.159 1.00 0.00 C ATOM 923 O3' G B 202 -46.299 -6.665 -7.534 1.00 0.00 O ATOM 924 C2' G B 202 -48.031 -6.995 -5.874 1.00 0.00 C ATOM 925 O2' G B 202 -48.560 -7.556 -7.054 1.00 0.00 O ATOM 926 C1' G B 202 -48.054 -7.905 -4.649 1.00 0.00 C ATOM 927 N9 G B 202 -48.387 -7.198 -3.394 1.00 0.00 N ATOM 928 C8 G B 202 -47.565 -6.439 -2.640 1.00 0.00 C ATOM 929 N7 G B 202 -48.170 -5.940 -1.567 1.00 0.00 N ATOM 930 C5 G B 202 -49.450 -6.417 -1.659 1.00 0.00 C ATOM 931 C6 G B 202 -50.575 -6.242 -0.826 1.00 0.00 C ATOM 932 O6 G B 202 -50.600 -5.578 0.208 1.00 0.00 O ATOM 933 N1 G B 202 -51.730 -6.860 -1.196 1.00 0.00 N ATOM 934 C2 G B 202 -51.733 -7.598 -2.329 1.00 0.00 C ATOM 935 N2 G B 202 -52.931 -8.134 -2.553 1.00 0.00 N ATOM 936 N3 G B 202 -50.727 -7.830 -3.192 1.00 0.00 N ATOM 937 C4 G B 202 -49.605 -7.188 -2.768 1.00 0.00 C ATOM 0 H5' G B 202 -44.223 -9.466 -5.605 1.00 0.00 H new ATOM 0 H5'' G B 202 -44.346 -8.591 -7.118 1.00 0.00 H new ATOM 0 H4' G B 202 -46.203 -9.240 -6.418 1.00 0.00 H new ATOM 0 H3' G B 202 -46.072 -6.163 -5.577 1.00 0.00 H new ATOM 0 H2' G B 202 -48.590 -6.084 -5.662 1.00 0.00 H new ATOM 0 HO2' G B 202 -47.831 -7.753 -7.678 1.00 0.00 H new ATOM 0 H1' G B 202 -48.826 -8.671 -4.723 1.00 0.00 H new ATOM 0 H8 G B 202 -46.528 -6.257 -2.882 1.00 0.00 H new ATOM 0 H1 G B 202 -52.574 -6.768 -0.631 1.00 0.00 H new ATOM 0 H21 G B 202 -53.083 -8.718 -3.375 1.00 0.00 H new ATOM 0 H22 G B 202 -53.697 -7.960 -1.902 1.00 0.00 H new ATOM 949 P C B 203 -45.954 -5.171 -7.992 1.00 0.00 P ATOM 950 OP1 C B 203 -45.150 -5.203 -9.233 1.00 0.00 O ATOM 951 OP2 C B 203 -45.409 -4.412 -6.845 1.00 0.00 O ATOM 952 O5' C B 203 -47.391 -4.564 -8.348 1.00 0.00 O ATOM 953 C5' C B 203 -48.278 -5.284 -9.201 1.00 0.00 C ATOM 954 C4' C B 203 -49.691 -5.202 -8.669 1.00 0.00 C ATOM 955 O4' C B 203 -49.493 -5.199 -7.381 1.00 0.00 O ATOM 956 C3' C B 203 -50.318 -3.815 -8.756 1.00 0.00 C ATOM 957 O3' C B 203 -51.042 -3.697 -9.979 1.00 0.00 O ATOM 958 C2' C B 203 -51.229 -3.715 -7.564 1.00 0.00 C ATOM 959 O2' C B 203 -52.494 -4.006 -8.116 1.00 0.00 O ATOM 960 C1' C B 203 -50.640 -4.799 -6.666 1.00 0.00 C ATOM 961 N1 C B 203 -50.286 -4.317 -5.314 1.00 0.00 N ATOM 962 C2 C B 203 -51.271 -4.373 -4.328 1.00 0.00 C ATOM 963 O2 C B 203 -52.384 -4.819 -4.628 1.00 0.00 O ATOM 964 N3 C B 203 -50.973 -3.940 -3.091 1.00 0.00 N ATOM 965 C4 C B 203 -49.780 -3.466 -2.789 1.00 0.00 C ATOM 966 N4 C B 203 -49.506 -3.044 -1.561 1.00 0.00 N ATOM 967 C5 C B 203 -48.743 -3.398 -3.791 1.00 0.00 C ATOM 968 C6 C B 203 -49.055 -3.834 -5.021 1.00 0.00 C ATOM 0 H5' C B 203 -47.966 -6.326 -9.267 1.00 0.00 H new ATOM 0 H5'' C B 203 -48.237 -4.875 -10.210 1.00 0.00 H new ATOM 0 H4' C B 203 -50.286 -5.959 -9.180 1.00 0.00 H new ATOM 0 H3' C B 203 -49.579 -3.014 -8.748 1.00 0.00 H new ATOM 0 H2' C B 203 -51.319 -2.786 -7.001 1.00 0.00 H new ATOM 0 HO2' C B 203 -52.379 -4.504 -8.952 1.00 0.00 H new ATOM 0 H1' C B 203 -51.352 -5.602 -6.473 1.00 0.00 H new ATOM 0 H41 C B 203 -48.579 -2.680 -1.342 1.00 0.00 H new ATOM 0 H42 C B 203 -50.223 -3.084 -0.836 1.00 0.00 H new ATOM 0 H5 C B 203 -47.760 -3.014 -3.561 1.00 0.00 H new ATOM 0 H6 C B 203 -48.305 -3.799 -5.797 1.00 0.00 H new ATOM 980 P G B 204 -50.736 -2.482 -10.976 1.00 0.00 P ATOM 981 OP1 G B 204 -50.857 -2.946 -12.376 1.00 0.00 O ATOM 982 OP2 G B 204 -49.472 -1.821 -10.582 1.00 0.00 O ATOM 983 O5' G B 204 -51.938 -1.467 -10.685 1.00 0.00 O ATOM 984 C5' G B 204 -53.218 -1.967 -10.307 1.00 0.00 C ATOM 985 C4' G B 204 -53.799 -1.122 -9.195 1.00 0.00 C ATOM 986 O4' G B 204 -53.781 -1.305 -7.884 1.00 0.00 O ATOM 987 C3' G B 204 -53.365 0.340 -9.223 1.00 0.00 C ATOM 988 O3' G B 204 -53.814 0.944 -10.435 1.00 0.00 O ATOM 989 C2' G B 204 -54.013 0.970 -8.021 1.00 0.00 C ATOM 990 O2' G B 204 -55.292 1.315 -8.503 1.00 0.00 O ATOM 991 C1' G B 204 -53.976 -0.196 -7.037 1.00 0.00 C ATOM 992 N9 G B 204 -52.893 -0.089 -6.037 1.00 0.00 N ATOM 993 C8 G B 204 -51.578 -0.333 -6.224 1.00 0.00 C ATOM 994 N7 G B 204 -50.860 -0.145 -5.122 1.00 0.00 N ATOM 995 C5 G B 204 -51.784 0.241 -4.189 1.00 0.00 C ATOM 996 C6 G B 204 -51.651 0.585 -2.827 1.00 0.00 C ATOM 997 O6 G B 204 -50.595 0.597 -2.196 1.00 0.00 O ATOM 998 N1 G B 204 -52.782 0.933 -2.156 1.00 0.00 N ATOM 999 C2 G B 204 -53.957 0.928 -2.823 1.00 0.00 C ATOM 1000 N2 G B 204 -54.965 1.289 -2.033 1.00 0.00 N ATOM 1001 N3 G B 204 -54.199 0.620 -4.111 1.00 0.00 N ATOM 1002 C4 G B 204 -53.032 0.282 -4.726 1.00 0.00 C ATOM 0 H5' G B 204 -53.130 -3.003 -9.979 1.00 0.00 H new ATOM 0 H5'' G B 204 -53.888 -1.961 -11.167 1.00 0.00 H new ATOM 0 H4' G B 204 -54.767 -1.493 -9.531 1.00 0.00 H new ATOM 0 H3' G B 204 -52.282 0.462 -9.189 1.00 0.00 H new ATOM 0 H2' G B 204 -53.586 1.856 -7.552 1.00 0.00 H new ATOM 0 HO2' G B 204 -55.285 1.308 -9.483 1.00 0.00 H new ATOM 0 H1' G B 204 -54.880 -0.249 -6.430 1.00 0.00 H new ATOM 0 H8 G B 204 -51.156 -0.647 -7.167 1.00 0.00 H new ATOM 0 H1 G B 204 -52.744 1.192 -1.170 1.00 0.00 H new ATOM 0 H21 G B 204 -55.914 1.330 -2.404 1.00 0.00 H new ATOM 0 H22 G B 204 -54.788 1.525 -1.056 1.00 0.00 H new ATOM 1014 P A B 205 -53.891 2.539 -10.553 1.00 0.00 P ATOM 1015 OP1 A B 205 -53.507 2.956 -11.920 1.00 0.00 O ATOM 1016 OP2 A B 205 -53.166 3.158 -9.421 1.00 0.00 O ATOM 1017 O5' A B 205 -55.451 2.837 -10.365 1.00 0.00 O ATOM 1018 C5' A B 205 -55.886 4.138 -9.974 1.00 0.00 C ATOM 1019 C4' A B 205 -55.343 4.478 -8.605 1.00 0.00 C ATOM 1020 O4' A B 205 -54.643 3.764 -7.619 1.00 0.00 O ATOM 1021 C3' A B 205 -54.323 5.613 -8.596 1.00 0.00 C ATOM 1022 O3' A B 205 -54.850 6.729 -9.310 1.00 0.00 O ATOM 1023 C2' A B 205 -54.107 5.940 -7.144 1.00 0.00 C ATOM 1024 O2' A B 205 -55.133 6.870 -6.879 1.00 0.00 O ATOM 1025 C1' A B 205 -54.291 4.564 -6.512 1.00 0.00 C ATOM 1026 N9 A B 205 -53.073 4.051 -5.849 1.00 0.00 N ATOM 1027 C8 A B 205 -52.029 3.422 -6.427 1.00 0.00 C ATOM 1028 N7 A B 205 -51.086 3.085 -5.554 1.00 0.00 N ATOM 1029 C5 A B 205 -51.573 3.532 -4.355 1.00 0.00 C ATOM 1030 C6 A B 205 -51.041 3.475 -3.049 1.00 0.00 C ATOM 1031 N6 A B 205 -49.845 2.917 -2.730 1.00 0.00 N ATOM 1032 N1 A B 205 -51.783 4.020 -2.046 1.00 0.00 N ATOM 1033 C2 A B 205 -52.975 4.577 -2.355 1.00 0.00 C ATOM 1034 N3 A B 205 -53.576 4.685 -3.555 1.00 0.00 N ATOM 1035 C4 A B 205 -52.786 4.125 -4.511 1.00 0.00 C ATOM 0 H5' A B 205 -56.975 4.177 -9.962 1.00 0.00 H new ATOM 0 H5'' A B 205 -55.549 4.877 -10.701 1.00 0.00 H new ATOM 0 H4' A B 205 -56.402 4.464 -8.346 1.00 0.00 H new ATOM 0 H3' A B 205 -53.383 5.344 -9.078 1.00 0.00 H new ATOM 0 H2' A B 205 -53.169 6.375 -6.800 1.00 0.00 H new ATOM 0 HO2' A B 205 -54.999 7.261 -5.990 1.00 0.00 H new ATOM 0 H1' A B 205 -55.031 4.577 -5.712 1.00 0.00 H new ATOM 0 H8 A B 205 -51.967 3.215 -7.485 1.00 0.00 H new ATOM 0 H61 A B 205 -49.526 2.913 -1.761 1.00 0.00 H new ATOM 0 H62 A B 205 -49.265 2.501 -3.459 1.00 0.00 H new ATOM 0 H2 A B 205 -53.522 4.994 -1.523 1.00 0.00 H new ATOM 1047 P C B 206 -53.894 7.595 -10.257 1.00 0.00 P ATOM 1048 OP1 C B 206 -54.649 8.051 -11.445 1.00 0.00 O ATOM 1049 OP2 C B 206 -52.628 6.865 -10.491 1.00 0.00 O ATOM 1050 O5' C B 206 -53.565 8.878 -9.359 1.00 0.00 O ATOM 1051 C5' C B 206 -54.480 9.294 -8.347 1.00 0.00 C ATOM 1052 C4' C B 206 -53.772 9.397 -7.015 1.00 0.00 C ATOM 1053 O4' C B 206 -53.157 8.504 -6.721 1.00 0.00 O ATOM 1054 C3' C B 206 -52.831 10.592 -6.893 1.00 0.00 C ATOM 1055 O3' C B 206 -53.536 11.696 -6.332 1.00 0.00 O ATOM 1056 C2' C B 206 -51.720 10.132 -5.991 1.00 0.00 C ATOM 1057 O2' C B 206 -52.025 10.771 -4.772 1.00 0.00 O ATOM 1058 C1' C B 206 -51.943 8.622 -6.014 1.00 0.00 C ATOM 1059 N1 C B 206 -50.858 7.877 -6.686 1.00 0.00 N ATOM 1060 C2 C B 206 -49.829 7.371 -5.891 1.00 0.00 C ATOM 1061 O2 C B 206 -49.873 7.569 -4.672 1.00 0.00 O ATOM 1062 N3 C B 206 -48.831 6.689 -6.480 1.00 0.00 N ATOM 1063 C4 C B 206 -48.801 6.487 -7.782 1.00 0.00 C ATOM 1064 N4 C B 206 -47.807 5.812 -8.344 1.00 0.00 N ATOM 1065 C5 C B 206 -49.854 7.000 -8.628 1.00 0.00 C ATOM 1066 C6 C B 206 -50.842 7.678 -8.027 1.00 0.00 C ATOM 0 H5' C B 206 -55.303 8.583 -8.276 1.00 0.00 H new ATOM 0 H5'' C B 206 -54.914 10.258 -8.612 1.00 0.00 H new ATOM 0 H4' C B 206 -54.630 9.495 -6.350 1.00 0.00 H new ATOM 0 H3' C B 206 -52.439 10.923 -7.855 1.00 0.00 H new ATOM 0 H2' C B 206 -50.678 10.349 -6.227 1.00 0.00 H new ATOM 0 HO2' C B 206 -51.272 11.337 -4.502 1.00 0.00 H new ATOM 0 H1' C B 206 -51.963 8.195 -5.012 1.00 0.00 H new ATOM 0 H41 C B 206 -47.798 5.664 -9.353 1.00 0.00 H new ATOM 0 H42 C B 206 -47.052 5.441 -7.767 1.00 0.00 H new ATOM 0 H5 C B 206 -49.845 6.844 -9.697 1.00 0.00 H new ATOM 0 H6 C B 206 -51.647 8.076 -8.627 1.00 0.00 H new ATOM 1078 P U B 207 -53.681 13.058 -7.160 1.00 0.00 P ATOM 1079 OP1 U B 207 -54.978 13.698 -6.844 1.00 0.00 O ATOM 1080 OP2 U B 207 -53.373 12.809 -8.586 1.00 0.00 O ATOM 1081 O5' U B 207 -52.517 13.973 -6.555 1.00 0.00 O ATOM 1082 C5' U B 207 -52.467 14.229 -5.152 1.00 0.00 C ATOM 1083 C4' U B 207 -51.079 13.951 -4.623 1.00 0.00 C ATOM 1084 O4' U B 207 -50.447 12.773 -5.016 1.00 0.00 O ATOM 1085 C3' U B 207 -49.986 14.825 -5.231 1.00 0.00 C ATOM 1086 O3' U B 207 -50.136 16.165 -4.766 1.00 0.00 O ATOM 1087 C2' U B 207 -48.690 14.221 -4.766 1.00 0.00 C ATOM 1088 O2' U B 207 -48.434 14.921 -3.568 1.00 0.00 O ATOM 1089 C1' U B 207 -49.100 12.761 -4.596 1.00 0.00 C ATOM 1090 N1 U B 207 -48.295 11.825 -5.408 1.00 0.00 N ATOM 1091 C2 U B 207 -47.210 11.276 -4.797 1.00 0.00 C ATOM 1092 O2 U B 207 -46.887 11.519 -3.644 1.00 0.00 O ATOM 1093 N3 U B 207 -46.459 10.403 -5.551 1.00 0.00 N ATOM 1094 C4 U B 207 -46.753 10.076 -6.852 1.00 0.00 C ATOM 1095 O4 U B 207 -46.010 9.284 -7.429 1.00 0.00 O ATOM 1096 C5 U B 207 -47.895 10.677 -7.441 1.00 0.00 C ATOM 1097 C6 U B 207 -48.610 11.520 -6.692 1.00 0.00 C ATOM 0 H5' U B 207 -53.194 13.604 -4.634 1.00 0.00 H new ATOM 0 H5'' U B 207 -52.739 15.266 -4.954 1.00 0.00 H new ATOM 0 H4' U B 207 -51.336 14.042 -3.568 1.00 0.00 H new ATOM 0 H3' U B 207 -50.029 14.862 -6.320 1.00 0.00 H new ATOM 0 H2' U B 207 -47.792 14.277 -5.382 1.00 0.00 H new ATOM 0 HO2' U B 207 -49.150 15.571 -3.410 1.00 0.00 H new ATOM 0 H1' U B 207 -48.950 12.408 -3.576 1.00 0.00 H new ATOM 0 H3 U B 207 -45.639 9.976 -5.120 1.00 0.00 H new ATOM 0 H5 U B 207 -48.177 10.460 -8.461 1.00 0.00 H new ATOM 0 H6 U B 207 -49.482 11.982 -7.130 1.00 0.00 H new ATOM 1108 P G B 208 -49.562 17.381 -5.632 1.00 0.00 P ATOM 1109 OP1 G B 208 -49.696 18.643 -4.869 1.00 0.00 O ATOM 1110 OP2 G B 208 -50.142 17.342 -6.993 1.00 0.00 O ATOM 1111 O5' G B 208 -48.004 17.036 -5.748 1.00 0.00 O ATOM 1112 C5' G B 208 -47.143 17.242 -4.630 1.00 0.00 C ATOM 1113 C4' G B 208 -45.913 16.371 -4.754 1.00 0.00 C ATOM 1114 O4' G B 208 -45.734 15.303 -4.761 1.00 0.00 O ATOM 1115 C3' G B 208 -44.735 17.040 -5.457 1.00 0.00 C ATOM 1116 O3' G B 208 -44.031 17.861 -4.526 1.00 0.00 O ATOM 1117 C2' G B 208 -43.877 15.912 -5.956 1.00 0.00 C ATOM 1118 O2' G B 208 -42.676 16.095 -5.241 1.00 0.00 O ATOM 1119 C1' G B 208 -44.715 14.709 -5.532 1.00 0.00 C ATOM 1120 N9 G B 208 -45.278 13.953 -6.670 1.00 0.00 N ATOM 1121 C8 G B 208 -46.379 14.255 -7.390 1.00 0.00 C ATOM 1122 N7 G B 208 -46.621 13.370 -8.353 1.00 0.00 N ATOM 1123 C5 G B 208 -45.607 12.460 -8.225 1.00 0.00 C ATOM 1124 C6 G B 208 -45.307 11.287 -8.950 1.00 0.00 C ATOM 1125 O6 G B 208 -45.958 10.849 -9.897 1.00 0.00 O ATOM 1126 N1 G B 208 -44.206 10.581 -8.571 1.00 0.00 N ATOM 1127 C2 G B 208 -43.471 11.040 -7.533 1.00 0.00 C ATOM 1128 N2 G B 208 -42.433 10.244 -7.288 1.00 0.00 N ATOM 1129 N3 G B 208 -43.663 12.136 -6.776 1.00 0.00 N ATOM 1130 C4 G B 208 -44.776 12.795 -7.204 1.00 0.00 C ATOM 0 H5' G B 208 -47.672 17.008 -3.706 1.00 0.00 H new ATOM 0 H5'' G B 208 -46.851 18.291 -4.574 1.00 0.00 H new ATOM 0 H4' G B 208 -46.246 16.296 -3.719 1.00 0.00 H new ATOM 0 H3' G B 208 -45.043 17.686 -6.279 1.00 0.00 H new ATOM 0 H2' G B 208 -43.623 15.825 -7.012 1.00 0.00 H new ATOM 0 HO2' G B 208 -42.869 16.523 -4.381 1.00 0.00 H new ATOM 0 H1' G B 208 -44.124 13.965 -4.998 1.00 0.00 H new ATOM 0 H8 G B 208 -46.997 15.121 -7.204 1.00 0.00 H new ATOM 0 H1 G B 208 -43.942 9.725 -9.059 1.00 0.00 H new ATOM 0 H21 G B 208 -41.788 10.466 -6.530 1.00 0.00 H new ATOM 0 H22 G B 208 -42.283 9.412 -7.858 1.00 0.00 H new ATOM 1142 P G B 209 -43.678 19.375 -4.902 1.00 0.00 P ATOM 1143 OP1 G B 209 -44.701 19.911 -5.827 1.00 0.00 O ATOM 1144 OP2 G B 209 -42.262 19.466 -5.324 1.00 0.00 O ATOM 1145 O5' G B 209 -43.827 20.137 -3.503 1.00 0.00 O ATOM 1146 C5' G B 209 -43.313 19.547 -2.311 1.00 0.00 C ATOM 1147 C4' G B 209 -44.437 19.280 -1.337 1.00 0.00 C ATOM 1148 O4' G B 209 -45.034 19.632 -0.083 1.00 0.00 O ATOM 1149 C3' G B 209 -45.502 18.316 -1.851 1.00 0.00 C ATOM 1150 O3' G B 209 -45.216 17.000 -1.384 1.00 0.00 O ATOM 1151 C2' G B 209 -46.803 18.827 -1.296 1.00 0.00 C ATOM 1152 O2' G B 209 -47.639 17.694 -1.371 1.00 0.00 O ATOM 1153 C1' G B 209 -46.371 19.231 0.111 1.00 0.00 C ATOM 1154 N9 G B 209 -47.180 20.327 0.683 1.00 0.00 N ATOM 1155 C8 G B 209 -46.884 21.644 0.696 1.00 0.00 C ATOM 1156 N7 G B 209 -47.821 22.375 1.291 1.00 0.00 N ATOM 1157 C5 G B 209 -48.762 21.456 1.672 1.00 0.00 C ATOM 1158 C6 G B 209 -49.993 21.603 2.345 1.00 0.00 C ATOM 1159 O6 G B 209 -50.469 22.668 2.737 1.00 0.00 O ATOM 1160 N1 G B 209 -50.715 20.474 2.583 1.00 0.00 N ATOM 1161 C2 G B 209 -50.217 19.290 2.165 1.00 0.00 C ATOM 1162 N2 G B 209 -51.036 18.285 2.470 1.00 0.00 N ATOM 1163 N3 G B 209 -49.064 19.034 1.518 1.00 0.00 N ATOM 1164 C4 G B 209 -48.392 20.200 1.311 1.00 0.00 C ATOM 0 H5' G B 209 -42.577 20.210 -1.856 1.00 0.00 H new ATOM 0 H5'' G B 209 -42.799 18.616 -2.549 1.00 0.00 H new ATOM 0 H4' G B 209 -43.516 19.800 -1.073 1.00 0.00 H new ATOM 0 H3' G B 209 -45.537 18.265 -2.939 1.00 0.00 H new ATOM 0 H2' G B 209 -47.328 19.657 -1.768 1.00 0.00 H new ATOM 0 HO2' G B 209 -47.089 16.884 -1.413 1.00 0.00 H new ATOM 0 H1' G B 209 -46.497 18.419 0.828 1.00 0.00 H new ATOM 0 H8 G B 209 -45.983 22.059 0.269 1.00 0.00 H new ATOM 0 H1 G B 209 -51.612 20.521 3.066 1.00 0.00 H new ATOM 0 H21 G B 209 -50.788 17.329 2.214 1.00 0.00 H new ATOM 0 H22 G B 209 -51.911 18.471 2.959 1.00 0.00 H new ATOM 1176 P U B 210 -43.752 16.383 -1.580 1.00 0.00 P ATOM 1177 OP1 U B 210 -42.761 17.216 -0.862 1.00 0.00 O ATOM 1178 OP2 U B 210 -43.509 16.119 -3.015 1.00 0.00 O ATOM 1179 O5' U B 210 -43.851 14.975 -0.827 1.00 0.00 O ATOM 1180 C5' U B 210 -42.913 14.645 0.196 1.00 0.00 C ATOM 1181 C4' U B 210 -42.601 13.166 0.156 1.00 0.00 C ATOM 1182 O4' U B 210 -43.725 12.821 0.583 1.00 0.00 O ATOM 1183 C3' U B 210 -42.560 12.568 -1.247 1.00 0.00 C ATOM 1184 O3' U B 210 -41.893 11.308 -1.207 1.00 0.00 O ATOM 1185 C2' U B 210 -43.999 12.417 -1.656 1.00 0.00 C ATOM 1186 O2' U B 210 -43.970 11.266 -2.471 1.00 0.00 O ATOM 1187 C1' U B 210 -44.665 12.239 -0.294 1.00 0.00 C ATOM 1188 N1 U B 210 -45.979 12.907 -0.188 1.00 0.00 N ATOM 1189 C2 U B 210 -47.038 12.240 -0.722 1.00 0.00 C ATOM 1190 O2 U B 210 -46.949 11.151 -1.265 1.00 0.00 O ATOM 1191 N3 U B 210 -48.264 12.860 -0.625 1.00 0.00 N ATOM 1192 C4 U B 210 -48.451 14.082 -0.030 1.00 0.00 C ATOM 1193 O4 U B 210 -49.591 14.542 -0.001 1.00 0.00 O ATOM 1194 C5 U B 210 -47.312 14.736 0.510 1.00 0.00 C ATOM 1195 C6 U B 210 -46.134 14.116 0.404 1.00 0.00 C ATOM 0 H5' U B 210 -43.318 14.913 1.172 1.00 0.00 H new ATOM 0 H5'' U B 210 -41.998 15.222 0.061 1.00 0.00 H new ATOM 0 H4' U B 210 -41.661 12.895 0.637 1.00 0.00 H new ATOM 0 H3' U B 210 -42.017 13.191 -1.958 1.00 0.00 H new ATOM 0 H2' U B 210 -44.511 13.204 -2.210 1.00 0.00 H new ATOM 0 HO2' U B 210 -43.284 10.649 -2.141 1.00 0.00 H new ATOM 0 H1' U B 210 -44.892 11.194 -0.082 1.00 0.00 H new ATOM 0 H3 U B 210 -49.077 12.385 -1.017 1.00 0.00 H new ATOM 0 H5 U B 210 -47.395 15.700 0.989 1.00 0.00 H new ATOM 0 H6 U B 210 -45.260 14.603 0.811 1.00 0.00 H new ATOM 1206 P G B 211 -40.424 11.161 -1.823 1.00 0.00 P ATOM 1207 OP1 G B 211 -40.012 12.441 -2.440 1.00 0.00 O ATOM 1208 OP2 G B 211 -40.356 9.944 -2.664 1.00 0.00 O ATOM 1209 O5' G B 211 -39.513 10.920 -0.530 1.00 0.00 O ATOM 1210 C5' G B 211 -40.107 10.475 0.687 1.00 0.00 C ATOM 1211 C4' G B 211 -39.058 10.378 1.772 1.00 0.00 C ATOM 1212 O4' G B 211 -39.351 11.033 2.567 1.00 0.00 O ATOM 1213 C3' G B 211 -38.885 8.980 2.359 1.00 0.00 C ATOM 1214 O3' G B 211 -37.535 8.557 2.185 1.00 0.00 O ATOM 1215 C2' G B 211 -39.238 9.114 3.815 1.00 0.00 C ATOM 1216 O2' G B 211 -38.031 8.771 4.458 1.00 0.00 O ATOM 1217 C1' G B 211 -39.618 10.591 3.880 1.00 0.00 C ATOM 1218 N9 G B 211 -41.032 10.820 4.243 1.00 0.00 N ATOM 1219 C8 G B 211 -42.116 10.663 3.456 1.00 0.00 C ATOM 1220 N7 G B 211 -43.252 10.951 4.083 1.00 0.00 N ATOM 1221 C5 G B 211 -42.850 11.311 5.342 1.00 0.00 C ATOM 1222 C6 G B 211 -43.582 11.724 6.474 1.00 0.00 C ATOM 1223 O6 G B 211 -44.806 11.841 6.528 1.00 0.00 O ATOM 1224 N1 G B 211 -42.879 12.019 7.602 1.00 0.00 N ATOM 1225 C2 G B 211 -41.533 11.899 7.572 1.00 0.00 C ATOM 1226 N2 G B 211 -40.993 12.220 8.745 1.00 0.00 N ATOM 1227 N3 G B 211 -40.737 11.517 6.556 1.00 0.00 N ATOM 1228 C4 G B 211 -41.499 11.238 5.461 1.00 0.00 C ATOM 0 H5' G B 211 -40.577 9.503 0.537 1.00 0.00 H new ATOM 0 H5'' G B 211 -40.893 11.166 0.991 1.00 0.00 H new ATOM 0 H4' G B 211 -38.105 10.646 1.315 1.00 0.00 H new ATOM 0 H3' G B 211 -39.515 8.235 1.874 1.00 0.00 H new ATOM 0 H2' G B 211 -40.033 8.514 4.258 1.00 0.00 H new ATOM 0 HO2' G B 211 -37.280 8.920 3.846 1.00 0.00 H new ATOM 0 H1' G B 211 -39.066 11.123 4.655 1.00 0.00 H new ATOM 0 H8 G B 211 -42.066 10.338 2.427 1.00 0.00 H new ATOM 0 H1 G B 211 -43.357 12.324 8.450 1.00 0.00 H new ATOM 0 H21 G B 211 -39.982 12.176 8.870 1.00 0.00 H new ATOM 0 H22 G B 211 -41.590 12.510 9.519 1.00 0.00 H new ATOM 1240 P A B 212 -37.209 7.014 1.914 1.00 0.00 P ATOM 1241 OP1 A B 212 -38.462 6.285 1.615 1.00 0.00 O ATOM 1242 OP2 A B 212 -36.356 6.487 3.002 1.00 0.00 O ATOM 1243 O5' A B 212 -36.332 7.060 0.578 1.00 0.00 O ATOM 1244 C5' A B 212 -36.729 7.897 -0.508 1.00 0.00 C ATOM 1245 C4' A B 212 -38.150 7.580 -0.914 1.00 0.00 C ATOM 1246 O4' A B 212 -39.149 8.086 -1.760 1.00 0.00 O ATOM 1247 C3' A B 212 -38.369 6.140 -1.369 1.00 0.00 C ATOM 1248 O3' A B 212 -37.724 5.252 -0.460 1.00 0.00 O ATOM 1249 C2' A B 212 -39.860 5.945 -1.366 1.00 0.00 C ATOM 1250 O2' A B 212 -40.131 5.649 -0.014 1.00 0.00 O ATOM 1251 C1' A B 212 -40.327 7.317 -1.843 1.00 0.00 C ATOM 1252 N9 A B 212 -40.865 7.310 -3.220 1.00 0.00 N ATOM 1253 C8 A B 212 -40.289 6.786 -4.322 1.00 0.00 C ATOM 1254 N7 A B 212 -41.031 6.944 -5.413 1.00 0.00 N ATOM 1255 C5 A B 212 -42.140 7.609 -4.962 1.00 0.00 C ATOM 1256 C6 A B 212 -43.294 8.065 -5.634 1.00 0.00 C ATOM 1257 N6 A B 212 -43.522 7.910 -6.964 1.00 0.00 N ATOM 1258 N1 A B 212 -44.238 8.706 -4.893 1.00 0.00 N ATOM 1259 C2 A B 212 -44.019 8.866 -3.569 1.00 0.00 C ATOM 1260 N3 A B 212 -42.965 8.475 -2.829 1.00 0.00 N ATOM 1261 C4 A B 212 -42.059 7.843 -3.627 1.00 0.00 C ATOM 0 H5' A B 212 -36.059 7.750 -1.355 1.00 0.00 H new ATOM 0 H5'' A B 212 -36.650 8.945 -0.218 1.00 0.00 H new ATOM 0 H4' A B 212 -38.275 8.131 0.018 1.00 0.00 H new ATOM 0 H3' A B 212 -37.953 5.939 -2.356 1.00 0.00 H new ATOM 0 H2' A B 212 -40.326 5.171 -1.975 1.00 0.00 H new ATOM 0 HO2' A B 212 -39.290 5.618 0.489 1.00 0.00 H new ATOM 0 H1' A B 212 -41.156 7.699 -1.247 1.00 0.00 H new ATOM 0 H8 A B 212 -39.329 6.292 -4.318 1.00 0.00 H new ATOM 0 H61 A B 212 -44.382 8.268 -7.379 1.00 0.00 H new ATOM 0 H62 A B 212 -42.833 7.436 -7.548 1.00 0.00 H new ATOM 0 H2 A B 212 -44.800 9.380 -3.029 1.00 0.00 H new ATOM 1273 P G B 213 -37.691 3.681 -0.761 1.00 0.00 P ATOM 1274 OP1 G B 213 -37.280 2.947 0.457 1.00 0.00 O ATOM 1275 OP2 G B 213 -36.924 3.429 -2.002 1.00 0.00 O ATOM 1276 O5' G B 213 -39.226 3.338 -1.051 1.00 0.00 O ATOM 1277 C5' G B 213 -40.087 2.964 0.023 1.00 0.00 C ATOM 1278 C4' G B 213 -41.506 3.392 -0.275 1.00 0.00 C ATOM 1279 O4' G B 213 -41.863 4.054 -1.202 1.00 0.00 O ATOM 1280 C3' G B 213 -42.514 2.247 -0.319 1.00 0.00 C ATOM 1281 O3' G B 213 -42.693 1.723 0.994 1.00 0.00 O ATOM 1282 C2' G B 213 -43.784 2.857 -0.847 1.00 0.00 C ATOM 1283 O2' G B 213 -44.557 3.024 0.320 1.00 0.00 O ATOM 1284 C1' G B 213 -43.244 4.144 -1.465 1.00 0.00 C ATOM 1285 N9 G B 213 -43.506 4.256 -2.916 1.00 0.00 N ATOM 1286 C8 G B 213 -42.765 3.750 -3.923 1.00 0.00 C ATOM 1287 N7 G B 213 -43.271 4.025 -5.122 1.00 0.00 N ATOM 1288 C5 G B 213 -44.399 4.748 -4.843 1.00 0.00 C ATOM 1289 C6 G B 213 -45.368 5.330 -5.687 1.00 0.00 C ATOM 1290 O6 G B 213 -45.364 5.282 -6.916 1.00 0.00 O ATOM 1291 N1 G B 213 -46.395 6.000 -5.094 1.00 0.00 N ATOM 1292 C2 G B 213 -46.424 6.069 -3.745 1.00 0.00 C ATOM 1293 N2 G B 213 -47.484 6.754 -3.319 1.00 0.00 N ATOM 1294 N3 G B 213 -45.561 5.557 -2.849 1.00 0.00 N ATOM 1295 C4 G B 213 -44.563 4.902 -3.503 1.00 0.00 C ATOM 0 H5' G B 213 -39.747 3.426 0.950 1.00 0.00 H new ATOM 0 H5'' G B 213 -40.048 1.885 0.172 1.00 0.00 H new ATOM 0 H4' G B 213 -41.477 4.066 0.581 1.00 0.00 H new ATOM 0 H3' G B 213 -42.189 1.419 -0.949 1.00 0.00 H new ATOM 0 H2' G B 213 -44.398 2.331 -1.578 1.00 0.00 H new ATOM 0 HO2' G B 213 -45.051 2.199 0.506 1.00 0.00 H new ATOM 0 H1' G B 213 -43.723 5.030 -1.049 1.00 0.00 H new ATOM 0 H8 G B 213 -41.858 3.183 -3.772 1.00 0.00 H new ATOM 0 H1 G B 213 -47.125 6.439 -5.655 1.00 0.00 H new ATOM 0 H21 G B 213 -47.637 6.888 -2.319 1.00 0.00 H new ATOM 0 H22 G B 213 -48.143 7.145 -3.992 1.00 0.00 H new ATOM 1307 P U B 214 -42.338 0.193 1.299 1.00 0.00 P ATOM 1308 OP1 U B 214 -40.993 0.106 1.913 1.00 0.00 O ATOM 1309 OP2 U B 214 -42.592 -0.628 0.094 1.00 0.00 O ATOM 1310 O5' U B 214 -43.415 -0.213 2.411 1.00 0.00 O ATOM 1311 C5' U B 214 -44.091 0.801 3.152 1.00 0.00 C ATOM 1312 C4' U B 214 -45.554 0.830 2.775 1.00 0.00 C ATOM 1313 O4' U B 214 -46.049 1.321 1.917 1.00 0.00 O ATOM 1314 C3' U B 214 -46.292 -0.484 3.008 1.00 0.00 C ATOM 1315 O3' U B 214 -47.103 -0.373 4.177 1.00 0.00 O ATOM 1316 C2' U B 214 -47.128 -0.696 1.776 1.00 0.00 C ATOM 1317 O2' U B 214 -48.393 -1.015 2.310 1.00 0.00 O ATOM 1318 C1' U B 214 -47.020 0.679 1.121 1.00 0.00 C ATOM 1319 N1 U B 214 -46.600 0.625 -0.295 1.00 0.00 N ATOM 1320 C2 U B 214 -47.466 1.153 -1.202 1.00 0.00 C ATOM 1321 O2 U B 214 -48.539 1.653 -0.902 1.00 0.00 O ATOM 1322 N3 U B 214 -47.076 1.105 -2.521 1.00 0.00 N ATOM 1323 C4 U B 214 -45.889 0.562 -2.943 1.00 0.00 C ATOM 1324 O4 U B 214 -45.645 0.573 -4.148 1.00 0.00 O ATOM 1325 C5 U B 214 -45.022 0.025 -1.956 1.00 0.00 C ATOM 1326 C6 U B 214 -45.419 0.082 -0.682 1.00 0.00 C ATOM 0 H5' U B 214 -43.637 1.772 2.953 1.00 0.00 H new ATOM 0 H5'' U B 214 -43.986 0.613 4.220 1.00 0.00 H new ATOM 0 H4' U B 214 -45.623 1.656 3.482 1.00 0.00 H new ATOM 0 H3' U B 214 -45.618 -1.325 3.169 1.00 0.00 H new ATOM 0 H2' U B 214 -46.872 -1.467 1.049 1.00 0.00 H new ATOM 0 HO2' U B 214 -48.358 -0.962 3.288 1.00 0.00 H new ATOM 0 H1' U B 214 -47.981 1.192 1.083 1.00 0.00 H new ATOM 0 H3 U B 214 -47.704 1.495 -3.224 1.00 0.00 H new ATOM 0 H5 U B 214 -44.073 -0.415 -2.226 1.00 0.00 H new ATOM 0 H6 U B 214 -44.767 -0.324 0.077 1.00 0.00 H new ATOM 1337 P A B 215 -46.553 -0.895 5.585 1.00 0.00 P ATOM 1338 OP1 A B 215 -45.156 -0.447 5.772 1.00 0.00 O ATOM 1339 OP2 A B 215 -46.829 -2.343 5.721 1.00 0.00 O ATOM 1340 O5' A B 215 -47.468 -0.117 6.641 1.00 0.00 O ATOM 1341 C5' A B 215 -48.889 -0.175 6.533 1.00 0.00 C ATOM 1342 C4' A B 215 -49.521 0.854 7.442 1.00 0.00 C ATOM 1343 O4' A B 215 -48.889 2.049 7.064 1.00 0.00 O ATOM 1344 C3' A B 215 -50.994 1.130 7.153 1.00 0.00 C ATOM 1345 O3' A B 215 -51.791 0.617 8.219 1.00 0.00 O ATOM 1346 C2' A B 215 -51.106 2.626 7.051 1.00 0.00 C ATOM 1347 O2' A B 215 -51.278 3.016 8.395 1.00 0.00 O ATOM 1348 C1' A B 215 -49.753 2.970 6.436 1.00 0.00 C ATOM 1349 N9 A B 215 -49.717 2.819 4.966 1.00 0.00 N ATOM 1350 C8 A B 215 -48.840 2.097 4.237 1.00 0.00 C ATOM 1351 N7 A B 215 -49.079 2.167 2.932 1.00 0.00 N ATOM 1352 C5 A B 215 -50.174 2.984 2.840 1.00 0.00 C ATOM 1353 C6 A B 215 -50.909 3.443 1.727 1.00 0.00 C ATOM 1354 N6 A B 215 -50.629 3.124 0.437 1.00 0.00 N ATOM 1355 N1 A B 215 -51.969 4.262 1.970 1.00 0.00 N ATOM 1356 C2 A B 215 -52.253 4.585 3.251 1.00 0.00 C ATOM 1357 N3 A B 215 -51.627 4.208 4.381 1.00 0.00 N ATOM 1358 C4 A B 215 -50.580 3.394 4.072 1.00 0.00 C ATOM 0 H5' A B 215 -49.241 -1.172 6.799 1.00 0.00 H new ATOM 0 H5'' A B 215 -49.191 0.005 5.501 1.00 0.00 H new ATOM 0 H4' A B 215 -49.427 0.512 8.473 1.00 0.00 H new ATOM 0 H3' A B 215 -51.343 0.651 6.238 1.00 0.00 H new ATOM 0 H2' A B 215 -51.900 3.092 6.467 1.00 0.00 H new ATOM 0 HO2' A B 215 -51.694 2.285 8.897 1.00 0.00 H new ATOM 0 H1' A B 215 -49.487 4.015 6.592 1.00 0.00 H new ATOM 0 H8 A B 215 -48.032 1.525 4.668 1.00 0.00 H new ATOM 0 H61 A B 215 -51.207 3.495 -0.317 1.00 0.00 H new ATOM 0 H62 A B 215 -49.841 2.513 0.222 1.00 0.00 H new ATOM 0 H2 A B 215 -53.102 5.238 3.387 1.00 0.00 H new ATOM 1370 P C B 216 -52.896 -0.502 7.926 1.00 0.00 P ATOM 1371 OP1 C B 216 -53.829 -0.593 9.071 1.00 0.00 O ATOM 1372 OP2 C B 216 -52.234 -1.751 7.484 1.00 0.00 O ATOM 1373 O5' C B 216 -53.697 0.100 6.680 1.00 0.00 O ATOM 1374 C5' C B 216 -54.346 1.365 6.793 1.00 0.00 C ATOM 1375 C4' C B 216 -54.919 1.777 5.457 1.00 0.00 C ATOM 1376 O4' C B 216 -54.681 2.476 4.620 1.00 0.00 O ATOM 1377 C3' C B 216 -56.036 0.874 4.942 1.00 0.00 C ATOM 1378 O3' C B 216 -57.280 1.296 5.497 1.00 0.00 O ATOM 1379 C2' C B 216 -56.017 1.030 3.447 1.00 0.00 C ATOM 1380 O2' C B 216 -57.330 1.459 3.164 1.00 0.00 O ATOM 1381 C1' C B 216 -54.931 2.091 3.287 1.00 0.00 C ATOM 1382 N1 C B 216 -53.704 1.584 2.637 1.00 0.00 N ATOM 1383 C2 C B 216 -53.581 1.760 1.260 1.00 0.00 C ATOM 1384 O2 C B 216 -54.496 2.326 0.651 1.00 0.00 O ATOM 1385 N3 C B 216 -52.473 1.308 0.646 1.00 0.00 N ATOM 1386 C4 C B 216 -51.507 0.706 1.310 1.00 0.00 C ATOM 1387 N4 C B 216 -50.421 0.267 0.686 1.00 0.00 N ATOM 1388 C5 C B 216 -51.610 0.512 2.738 1.00 0.00 C ATOM 1389 C6 C B 216 -52.720 0.968 3.336 1.00 0.00 C ATOM 0 H5' C B 216 -53.637 2.116 7.140 1.00 0.00 H new ATOM 0 H5'' C B 216 -55.141 1.309 7.537 1.00 0.00 H new ATOM 0 H4' C B 216 -54.475 2.534 6.103 1.00 0.00 H new ATOM 0 H3' C B 216 -55.902 -0.170 5.224 1.00 0.00 H new ATOM 0 H2' C B 216 -55.797 0.184 2.796 1.00 0.00 H new ATOM 0 HO2' C B 216 -57.756 1.774 3.988 1.00 0.00 H new ATOM 0 H1' C B 216 -55.247 2.906 2.636 1.00 0.00 H new ATOM 0 H41 C B 216 -49.682 -0.197 1.214 1.00 0.00 H new ATOM 0 H42 C B 216 -50.326 0.394 -0.322 1.00 0.00 H new ATOM 0 H5 C B 216 -50.828 0.022 3.299 1.00 0.00 H new ATOM 0 H6 C B 216 -52.833 0.841 4.403 1.00 0.00 H new ATOM 1401 P G B 217 -58.297 0.214 6.095 1.00 0.00 P ATOM 1402 OP1 G B 217 -59.621 0.841 6.309 1.00 0.00 O ATOM 1403 OP2 G B 217 -57.673 -0.474 7.247 1.00 0.00 O ATOM 1404 O5' G B 217 -58.438 -0.843 4.903 1.00 0.00 O ATOM 1405 C5' G B 217 -59.319 -0.578 3.814 1.00 0.00 C ATOM 1406 C4' G B 217 -58.925 -1.408 2.612 1.00 0.00 C ATOM 1407 O4' G B 217 -58.143 -1.259 1.769 1.00 0.00 O ATOM 1408 C3' G B 217 -58.960 -2.915 2.849 1.00 0.00 C ATOM 1409 O3' G B 217 -60.305 -3.327 3.083 1.00 0.00 O ATOM 1410 C2' G B 217 -58.407 -3.527 1.592 1.00 0.00 C ATOM 1411 O2' G B 217 -59.571 -3.912 0.896 1.00 0.00 O ATOM 1412 C1' G B 217 -57.653 -2.337 1.005 1.00 0.00 C ATOM 1413 N9 G B 217 -56.185 -2.453 1.123 1.00 0.00 N ATOM 1414 C8 G B 217 -55.430 -2.220 2.217 1.00 0.00 C ATOM 1415 N7 G B 217 -54.134 -2.413 1.996 1.00 0.00 N ATOM 1416 C5 G B 217 -54.076 -2.790 0.682 1.00 0.00 C ATOM 1417 C6 G B 217 -52.987 -3.135 -0.146 1.00 0.00 C ATOM 1418 O6 G B 217 -51.807 -3.156 0.201 1.00 0.00 O ATOM 1419 N1 G B 217 -53.262 -3.472 -1.436 1.00 0.00 N ATOM 1420 C2 G B 217 -54.550 -3.457 -1.846 1.00 0.00 C ATOM 1421 N2 G B 217 -54.654 -3.809 -3.126 1.00 0.00 N ATOM 1422 N3 G B 217 -55.659 -3.148 -1.150 1.00 0.00 N ATOM 1423 C4 G B 217 -55.317 -2.822 0.129 1.00 0.00 C ATOM 0 H5' G B 217 -59.287 0.482 3.560 1.00 0.00 H new ATOM 0 H5'' G B 217 -60.345 -0.806 4.103 1.00 0.00 H new ATOM 0 H4' G B 217 -59.705 -0.789 2.168 1.00 0.00 H new ATOM 0 H3' G B 217 -58.379 -3.222 3.719 1.00 0.00 H new ATOM 0 H2' G B 217 -57.745 -4.392 1.632 1.00 0.00 H new ATOM 0 HO2' G B 217 -59.390 -4.726 0.381 1.00 0.00 H new ATOM 0 H1' G B 217 -57.815 -2.238 -0.068 1.00 0.00 H new ATOM 0 H8 G B 217 -55.835 -1.910 3.169 1.00 0.00 H new ATOM 0 H1 G B 217 -52.513 -3.730 -2.079 1.00 0.00 H new ATOM 0 H21 G B 217 -55.570 -3.842 -3.573 1.00 0.00 H new ATOM 0 H22 G B 217 -53.817 -4.045 -3.659 1.00 0.00 H new ATOM 1435 P C B 218 -60.603 -4.582 4.030 1.00 0.00 P ATOM 1436 OP1 C B 218 -62.065 -4.804 4.118 1.00 0.00 O ATOM 1437 OP2 C B 218 -59.857 -4.439 5.299 1.00 0.00 O ATOM 1438 O5' C B 218 -59.967 -5.805 3.218 1.00 0.00 O ATOM 1439 C5' C B 218 -60.698 -6.412 2.154 1.00 0.00 C ATOM 1440 C4' C B 218 -59.748 -7.083 1.187 1.00 0.00 C ATOM 1441 O4' C B 218 -58.680 -6.434 0.706 1.00 0.00 O ATOM 1442 C3' C B 218 -58.996 -8.277 1.769 1.00 0.00 C ATOM 1443 O3' C B 218 -59.896 -9.370 1.935 1.00 0.00 O ATOM 1444 C2' C B 218 -57.920 -8.594 0.767 1.00 0.00 C ATOM 1445 O2' C B 218 -58.590 -9.423 -0.155 1.00 0.00 O ATOM 1446 C1' C B 218 -57.579 -7.194 0.264 1.00 0.00 C ATOM 1447 N1 C B 218 -56.310 -6.666 0.808 1.00 0.00 N ATOM 1448 C2 C B 218 -55.175 -6.752 0.004 1.00 0.00 C ATOM 1449 O2 C B 218 -55.279 -7.263 -1.116 1.00 0.00 O ATOM 1450 N3 C B 218 -54.008 -6.278 0.478 1.00 0.00 N ATOM 1451 C4 C B 218 -53.914 -5.736 1.676 1.00 0.00 C ATOM 1452 N4 C B 218 -52.754 -5.273 2.125 1.00 0.00 N ATOM 1453 C5 C B 218 -55.076 -5.635 2.528 1.00 0.00 C ATOM 1454 C6 C B 218 -56.232 -6.112 2.043 1.00 0.00 C ATOM 0 H5' C B 218 -61.288 -5.659 1.632 1.00 0.00 H new ATOM 0 H5'' C B 218 -61.398 -7.145 2.555 1.00 0.00 H new ATOM 0 H4' C B 218 -60.510 -7.251 0.426 1.00 0.00 H new ATOM 0 H3' C B 218 -58.566 -8.071 2.749 1.00 0.00 H new ATOM 0 H2' C B 218 -57.005 -9.105 1.067 1.00 0.00 H new ATOM 0 HO2' C B 218 -58.145 -10.295 -0.194 1.00 0.00 H new ATOM 0 H1' C B 218 -57.423 -7.172 -0.815 1.00 0.00 H new ATOM 0 H41 C B 218 -52.697 -4.856 3.054 1.00 0.00 H new ATOM 0 H42 C B 218 -51.920 -5.334 1.541 1.00 0.00 H new ATOM 0 H5 C B 218 -55.017 -5.195 3.512 1.00 0.00 H new ATOM 0 H6 C B 218 -57.123 -6.053 2.651 1.00 0.00 H new ATOM 1466 P C B 219 -59.833 -10.265 3.260 1.00 0.00 P ATOM 1467 OP1 C B 219 -61.180 -10.792 3.570 1.00 0.00 O ATOM 1468 OP2 C B 219 -59.127 -9.523 4.329 1.00 0.00 O ATOM 1469 O5' C B 219 -58.910 -11.494 2.819 1.00 0.00 O ATOM 1470 C5' C B 219 -59.130 -12.138 1.566 1.00 0.00 C ATOM 1471 C4' C B 219 -57.817 -12.625 0.994 1.00 0.00 C ATOM 1472 O4' C B 219 -56.939 -11.621 0.588 1.00 0.00 O ATOM 1473 C3' C B 219 -56.870 -13.238 2.022 1.00 0.00 C ATOM 1474 O3' C B 219 -57.311 -14.568 2.338 1.00 0.00 O ATOM 1475 C2' C B 219 -55.519 -13.244 1.363 1.00 0.00 C ATOM 1476 O2' C B 219 -55.576 -14.394 0.551 1.00 0.00 O ATOM 1477 C1' C B 219 -55.560 -11.912 0.620 1.00 0.00 C ATOM 1478 N1 C B 219 -54.804 -10.837 1.295 1.00 0.00 N ATOM 1479 C2 C B 219 -53.532 -10.536 0.809 1.00 0.00 C ATOM 1480 O2 C B 219 -53.100 -11.176 -0.155 1.00 0.00 O ATOM 1481 N3 C B 219 -52.823 -9.560 1.408 1.00 0.00 N ATOM 1482 C4 C B 219 -53.300 -8.886 2.436 1.00 0.00 C ATOM 1483 N4 C B 219 -52.586 -7.928 3.012 1.00 0.00 N ATOM 1484 C5 C B 219 -54.615 -9.180 2.958 1.00 0.00 C ATOM 1485 C6 C B 219 -55.309 -10.154 2.351 1.00 0.00 C ATOM 0 H5' C B 219 -59.604 -11.445 0.871 1.00 0.00 H new ATOM 0 H5'' C B 219 -59.813 -12.978 1.695 1.00 0.00 H new ATOM 0 H4' C B 219 -58.208 -13.280 0.216 1.00 0.00 H new ATOM 0 H3' C B 219 -56.840 -12.683 2.959 1.00 0.00 H new ATOM 0 H2' C B 219 -54.605 -13.301 1.954 1.00 0.00 H new ATOM 0 HO2' C B 219 -56.213 -15.033 0.933 1.00 0.00 H new ATOM 0 HO3' C B 219 -56.704 -14.966 2.997 1.00 0.00 H new ATOM 0 H1' C B 219 -55.091 -11.977 -0.362 1.00 0.00 H new ATOM 0 H41 C B 219 -52.968 -7.415 3.807 1.00 0.00 H new ATOM 0 H42 C B 219 -51.655 -7.704 2.660 1.00 0.00 H new ATOM 0 H5 C B 219 -55.021 -8.639 3.800 1.00 0.00 H new ATOM 0 H6 C B 219 -56.296 -10.400 2.713 1.00 0.00 H new TER 1497 C B 219 HETATM 1498 ZN ZN A 128 -51.270 11.376 7.208 1.00 0.00 ZN HETATM 1499 ZN ZN A 149 -54.065 27.490 2.901 1.00 0.00 ZN