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+ 151:sc= -4.44! (180deg=-5.48!) USER MOD Set 1.2: B 212 A O2' : rot -6:sc= -1.34! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -100:sc= 0.0243 (180deg=-0.139) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) 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= -1.64! C(o=-7.2!,f=-1.6!) USER MOD Single : A 9 GLN : amide:sc= -1.46 K(o=-1.5,f=-2.6!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc=-0.00462 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -1.74! C(o=-1.7!,f=-1.7!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN :FLIP amide:sc= -2.93 F(o=-5.8,f=-2.9) 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= -6.53! C(o=-6.5!,f=-11!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.0212) USER MOD Single : A 50 THR OG1 : rot -29:sc= 0.0992! USER MOD Single : A 53 GLN : amide:sc= -3.29! C(o=-3.3!,f=-5.8!) USER MOD Single : A 55 ASN : amide:sc= -1.14 X(o=-1.1,f=-1.4) USER MOD Single : B 201 CG1 O2' : rot -152:sc= -1.2 USER MOD Single : B 202 G O2' : rot -20:sc= 0.19 USER MOD Single : B 203 C O2' : rot 14:sc= -0.773 USER MOD Single : B 204 G O2' : rot -158:sc= -2.52 USER MOD Single : B 205 A O2' : rot 19:sc= -2.95 USER MOD Single : B 206 C O2' : rot -65:sc= 0.643 USER MOD Single : B 207 U O2' : rot 12:sc= -1.12 USER MOD Single : B 208 G O2' : rot 5:sc= 1.58 USER MOD Single : B 209 G O2' : rot 59:sc= 1.53 USER MOD Single : B 210 U O2' : rot 13:sc= 0.601 USER MOD Single : B 211 G O2' : rot 18:sc= 0.613 USER MOD Single : B 213 G O2' : rot 2:sc= -0.543 USER MOD Single : B 214 U O2' : rot 25:sc= 1.42 USER MOD Single : B 215 A O2' : rot -13:sc= 0.529 USER MOD Single : B 216 C O2' : rot 28:sc= -0.739 USER MOD Single : B 217 G O2' : rot -8:sc= 0.504 USER MOD Single : B 218 C O2' : rot 4:sc= -0.821 USER MOD Single : B 219 C O2' : rot -32:sc= 0.496 USER MOD Single : B 219 C O3' : rot 180:sc= 0.334 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -28.882 2.864 4.353 1.00 0.00 N ATOM 2 CA MET A 1 -28.740 3.993 5.255 1.00 0.00 C ATOM 3 C MET A 1 -29.822 5.043 4.994 1.00 0.00 C ATOM 4 O MET A 1 -30.247 5.230 3.855 1.00 0.00 O ATOM 5 CB MET A 1 -27.359 4.625 5.071 1.00 0.00 C ATOM 6 CG MET A 1 -26.266 3.736 5.667 1.00 0.00 C ATOM 7 SD MET A 1 -25.705 4.416 7.219 1.00 0.00 S ATOM 8 CE MET A 1 -24.512 3.174 7.688 1.00 0.00 C ATOM 0 H1 MET A 1 -29.359 2.083 4.847 1.00 0.00 H new ATOM 0 H2 MET A 1 -29.447 3.148 3.528 1.00 0.00 H new ATOM 0 H3 MET A 1 -27.942 2.551 4.037 1.00 0.00 H new ATOM 0 HA MET A 1 -28.850 3.632 6.278 1.00 0.00 H new ATOM 0 HB2 MET A 1 -27.166 4.783 4.010 1.00 0.00 H new ATOM 0 HB3 MET A 1 -27.337 5.605 5.549 1.00 0.00 H new ATOM 0 HG2 MET A 1 -26.649 2.727 5.820 1.00 0.00 H new ATOM 0 HG3 MET A 1 -25.430 3.657 4.972 1.00 0.00 H new ATOM 0 HE1 MET A 1 -24.062 3.444 8.643 1.00 0.00 H new ATOM 0 HE2 MET A 1 -25.009 2.209 7.781 1.00 0.00 H new ATOM 0 HE3 MET A 1 -23.735 3.110 6.926 1.00 0.00 H new ATOM 18 N GLN A 2 -30.235 5.702 6.066 1.00 0.00 N ATOM 19 CA GLN A 2 -31.259 6.728 5.966 1.00 0.00 C ATOM 20 C GLN A 2 -32.633 6.089 5.759 1.00 0.00 C ATOM 21 O GLN A 2 -33.539 6.280 6.569 1.00 0.00 O ATOM 22 CB GLN A 2 -30.938 7.714 4.841 1.00 0.00 C ATOM 23 CG GLN A 2 -30.694 9.119 5.397 1.00 0.00 C ATOM 24 CD GLN A 2 -31.893 10.031 5.127 1.00 0.00 C ATOM 25 OE1 GLN A 2 -31.994 10.679 4.098 1.00 0.00 O ATOM 26 NE2 GLN A 2 -32.793 10.044 6.106 1.00 0.00 N ATOM 0 H GLN A 2 -29.879 5.545 7.009 1.00 0.00 H new ATOM 0 HA GLN A 2 -31.278 7.287 6.901 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -30.056 7.376 4.297 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -31.762 7.739 4.128 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -30.510 9.063 6.470 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -29.799 9.544 4.942 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -32.646 9.477 6.941 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -33.630 10.621 6.022 1.00 0.00 H new ATOM 35 N LYS A 3 -32.745 5.342 4.671 1.00 0.00 N ATOM 36 CA LYS A 3 -33.994 4.673 4.348 1.00 0.00 C ATOM 37 C LYS A 3 -34.369 3.723 5.488 1.00 0.00 C ATOM 38 O LYS A 3 -35.531 3.649 5.882 1.00 0.00 O ATOM 39 CB LYS A 3 -33.898 3.989 2.983 1.00 0.00 C ATOM 40 CG LYS A 3 -32.882 2.845 3.013 1.00 0.00 C ATOM 41 CD LYS A 3 -32.901 2.060 1.700 1.00 0.00 C ATOM 42 CE LYS A 3 -31.772 1.028 1.663 1.00 0.00 C ATOM 43 NZ LYS A 3 -31.466 0.646 0.266 1.00 0.00 N ATOM 0 H LYS A 3 -31.991 5.185 4.002 1.00 0.00 H new ATOM 0 HA LYS A 3 -34.803 5.398 4.259 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -34.876 3.604 2.696 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -33.608 4.718 2.227 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -31.883 3.245 3.187 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -33.106 2.176 3.844 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -33.862 1.558 1.586 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -32.799 2.747 0.860 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -30.881 1.438 2.138 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -32.060 0.145 2.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -30.698 -0.055 0.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -32.314 0.236 -0.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -31.171 1.489 -0.268 1.00 0.00 H new ATOM 57 N GLY A 4 -33.361 3.019 5.984 1.00 0.00 N ATOM 58 CA GLY A 4 -33.570 2.076 7.069 1.00 0.00 C ATOM 59 C GLY A 4 -34.143 2.778 8.302 1.00 0.00 C ATOM 60 O GLY A 4 -34.747 2.138 9.160 1.00 0.00 O ATOM 0 H GLY A 4 -32.398 3.083 5.654 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -34.251 1.288 6.745 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -32.626 1.596 7.325 1.00 0.00 H new ATOM 64 N ASN A 5 -33.933 4.085 8.351 1.00 0.00 N ATOM 65 CA ASN A 5 -34.421 4.881 9.463 1.00 0.00 C ATOM 66 C ASN A 5 -35.948 4.798 9.513 1.00 0.00 C ATOM 67 O ASN A 5 -36.537 4.781 10.592 1.00 0.00 O ATOM 68 CB ASN A 5 -34.033 6.352 9.302 1.00 0.00 C ATOM 69 CG ASN A 5 -34.296 7.134 10.589 1.00 0.00 C ATOM 70 OD1 ASN A 5 -35.324 7.770 10.762 1.00 0.00 O ATOM 71 ND2 ASN A 5 -33.314 7.052 11.483 1.00 0.00 N ATOM 0 H ASN A 5 -33.431 4.613 7.637 1.00 0.00 H new ATOM 0 HA ASN A 5 -33.976 4.489 10.378 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -32.978 6.426 9.037 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -34.600 6.793 8.482 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -33.395 7.538 12.376 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -32.480 6.503 11.276 1.00 0.00 H new ATOM 78 N PHE A 6 -36.545 4.748 8.331 1.00 0.00 N ATOM 79 CA PHE A 6 -37.992 4.668 8.227 1.00 0.00 C ATOM 80 C PHE A 6 -38.524 3.420 8.934 1.00 0.00 C ATOM 81 O PHE A 6 -39.725 3.300 9.170 1.00 0.00 O ATOM 82 CB PHE A 6 -38.329 4.579 6.737 1.00 0.00 C ATOM 83 CG PHE A 6 -39.780 4.929 6.404 1.00 0.00 C ATOM 84 CD1 PHE A 6 -40.179 6.229 6.389 1.00 0.00 C ATOM 85 CD2 PHE A 6 -40.672 3.941 6.124 1.00 0.00 C ATOM 86 CE1 PHE A 6 -41.527 6.554 6.081 1.00 0.00 C ATOM 87 CE2 PHE A 6 -42.019 4.266 5.815 1.00 0.00 C ATOM 88 CZ PHE A 6 -42.418 5.567 5.801 1.00 0.00 C ATOM 0 H PHE A 6 -36.053 4.761 7.438 1.00 0.00 H new ATOM 0 HA PHE A 6 -38.448 5.540 8.696 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -37.669 5.249 6.185 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -38.121 3.568 6.388 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -39.471 7.014 6.611 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -40.355 2.909 6.137 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -41.844 7.586 6.069 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -42.727 3.481 5.591 1.00 0.00 H new ATOM 0 HZ PHE A 6 -43.443 5.815 5.567 1.00 0.00 H new ATOM 98 N ARG A 7 -37.604 2.521 9.251 1.00 0.00 N ATOM 99 CA ARG A 7 -37.965 1.286 9.926 1.00 0.00 C ATOM 100 C ARG A 7 -38.679 1.590 11.244 1.00 0.00 C ATOM 101 O ARG A 7 -39.308 0.712 11.831 1.00 0.00 O ATOM 102 CB ARG A 7 -36.728 0.431 10.209 1.00 0.00 C ATOM 103 CG ARG A 7 -37.125 -0.993 10.604 1.00 0.00 C ATOM 104 CD ARG A 7 -36.002 -1.678 11.385 1.00 0.00 C ATOM 105 NE ARG A 7 -34.941 -2.127 10.456 1.00 0.00 N ATOM 106 CZ ARG A 7 -34.033 -3.067 10.751 1.00 0.00 C ATOM 107 NH1 ARG A 7 -34.052 -3.664 11.951 1.00 0.00 N ATOM 108 NH2 ARG A 7 -33.106 -3.411 9.846 1.00 0.00 N ATOM 0 H ARG A 7 -36.609 2.623 9.053 1.00 0.00 H new ATOM 0 HA ARG A 7 -38.633 0.731 9.267 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -36.091 0.403 9.325 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -36.143 0.885 11.009 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -38.031 -0.967 11.210 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -37.356 -1.571 9.709 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -35.586 -0.989 12.120 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -36.399 -2.530 11.936 1.00 0.00 H new ATOM 0 HE ARG A 7 -34.898 -1.694 9.534 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -34.758 -3.403 12.640 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -33.361 -4.380 12.176 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -33.092 -2.957 8.933 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -32.415 -4.127 10.071 1.00 0.00 H new ATOM 122 N ASN A 8 -38.557 2.838 11.671 1.00 0.00 N ATOM 123 CA ASN A 8 -39.183 3.271 12.909 1.00 0.00 C ATOM 124 C ASN A 8 -40.696 3.072 12.807 1.00 0.00 C ATOM 125 O ASN A 8 -41.404 3.139 13.811 1.00 0.00 O ATOM 126 CB ASN A 8 -38.917 4.754 13.172 1.00 0.00 C ATOM 127 CG ASN A 8 -39.733 5.634 12.223 1.00 0.00 C ATOM 128 OD1 ASN A 8 -41.019 5.733 12.549 1.00 0.00 O flip ATOM 129 ND2 ASN A 8 -39.229 6.187 11.260 1.00 0.00 N flip ATOM 0 H ASN A 8 -38.034 3.564 11.181 1.00 0.00 H new ATOM 0 HA ASN A 8 -38.764 2.680 13.723 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -39.170 4.995 14.205 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -37.855 4.965 13.046 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -38.234 6.069 11.067 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -39.802 6.768 10.648 1.00 0.00 H new ATOM 136 N GLN A 9 -41.149 2.831 11.585 1.00 0.00 N ATOM 137 CA GLN A 9 -42.565 2.622 11.339 1.00 0.00 C ATOM 138 C GLN A 9 -43.099 1.498 12.229 1.00 0.00 C ATOM 139 O GLN A 9 -44.260 1.519 12.633 1.00 0.00 O ATOM 140 CB GLN A 9 -42.826 2.323 9.861 1.00 0.00 C ATOM 141 CG GLN A 9 -44.326 2.197 9.584 1.00 0.00 C ATOM 142 CD GLN A 9 -44.754 3.128 8.448 1.00 0.00 C ATOM 143 OE1 GLN A 9 -44.099 3.242 7.425 1.00 0.00 O ATOM 144 NE2 GLN A 9 -45.886 3.785 8.685 1.00 0.00 N ATOM 0 H GLN A 9 -40.559 2.776 10.754 1.00 0.00 H new ATOM 0 HA GLN A 9 -43.097 3.540 11.590 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -42.404 3.118 9.245 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -42.321 1.399 9.578 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -44.566 1.166 9.324 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -44.888 2.437 10.487 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -46.384 3.642 9.564 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -46.256 4.432 7.988 1.00 0.00 H new ATOM 153 N ARG A 10 -42.225 0.542 12.507 1.00 0.00 N ATOM 154 CA ARG A 10 -42.593 -0.589 13.342 1.00 0.00 C ATOM 155 C ARG A 10 -43.136 -0.101 14.687 1.00 0.00 C ATOM 156 O ARG A 10 -43.805 -0.850 15.398 1.00 0.00 O ATOM 157 CB ARG A 10 -41.394 -1.507 13.586 1.00 0.00 C ATOM 158 CG ARG A 10 -41.439 -2.726 12.661 1.00 0.00 C ATOM 159 CD ARG A 10 -40.129 -2.876 11.886 1.00 0.00 C ATOM 160 NE ARG A 10 -40.355 -2.593 10.451 1.00 0.00 N ATOM 161 CZ ARG A 10 -40.859 -3.479 9.582 1.00 0.00 C ATOM 162 NH1 ARG A 10 -41.193 -4.709 9.995 1.00 0.00 N ATOM 163 NH2 ARG A 10 -41.029 -3.135 8.297 1.00 0.00 N ATOM 0 H ARG A 10 -41.263 0.527 12.169 1.00 0.00 H new ATOM 0 HA ARG A 10 -43.365 -1.151 12.817 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -40.469 -0.955 13.421 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -41.388 -1.835 14.626 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -41.623 -3.626 13.248 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -42.269 -2.626 11.962 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -39.380 -2.193 12.286 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -39.738 -3.886 12.009 1.00 0.00 H new ATOM 0 HE ARG A 10 -40.112 -1.666 10.102 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -41.064 -4.972 10.972 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -41.577 -5.383 9.332 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -40.775 -2.199 7.982 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -41.413 -3.809 7.635 1.00 0.00 H new ATOM 177 N LYS A 11 -42.826 1.149 14.995 1.00 0.00 N ATOM 178 CA LYS A 11 -43.274 1.745 16.242 1.00 0.00 C ATOM 179 C LYS A 11 -43.938 3.092 15.949 1.00 0.00 C ATOM 180 O LYS A 11 -43.703 4.070 16.656 1.00 0.00 O ATOM 181 CB LYS A 11 -42.118 1.834 17.240 1.00 0.00 C ATOM 182 CG LYS A 11 -42.615 2.271 18.618 1.00 0.00 C ATOM 183 CD LYS A 11 -42.480 1.137 19.636 1.00 0.00 C ATOM 184 CE LYS A 11 -43.287 1.436 20.901 1.00 0.00 C ATOM 185 NZ LYS A 11 -43.478 0.202 21.696 1.00 0.00 N ATOM 0 H LYS A 11 -42.270 1.766 14.403 1.00 0.00 H new ATOM 0 HA LYS A 11 -44.026 1.114 16.716 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -41.625 0.865 17.318 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -41.373 2.542 16.877 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -42.046 3.137 18.956 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -43.658 2.581 18.551 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -42.825 0.203 19.193 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -41.430 0.999 19.894 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -42.771 2.186 21.500 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -44.256 1.856 20.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -44.027 0.422 22.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -43.990 -0.502 21.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -42.551 -0.182 21.969 1.00 0.00 H new ATOM 199 N THR A 12 -44.754 3.099 14.905 1.00 0.00 N ATOM 200 CA THR A 12 -45.454 4.308 14.510 1.00 0.00 C ATOM 201 C THR A 12 -44.491 5.282 13.827 1.00 0.00 C ATOM 202 O THR A 12 -43.293 5.272 14.103 1.00 0.00 O ATOM 203 CB THR A 12 -46.128 4.893 15.753 1.00 0.00 C ATOM 204 OG1 THR A 12 -46.848 3.794 16.307 1.00 0.00 O ATOM 205 CG2 THR A 12 -47.215 5.913 15.406 1.00 0.00 C ATOM 0 H THR A 12 -44.946 2.285 14.321 1.00 0.00 H new ATOM 0 HA THR A 12 -46.228 4.093 13.773 1.00 0.00 H new ATOM 0 HB THR A 12 -45.376 5.365 16.385 1.00 0.00 H new ATOM 0 HG1 THR A 12 -47.314 4.084 17.119 1.00 0.00 H new ATOM 0 HG21 THR A 12 -47.660 6.296 16.324 1.00 0.00 H new ATOM 0 HG22 THR A 12 -46.775 6.737 14.844 1.00 0.00 H new ATOM 0 HG23 THR A 12 -47.985 5.433 14.802 1.00 0.00 H new ATOM 213 N VAL A 13 -45.053 6.102 12.950 1.00 0.00 N ATOM 214 CA VAL A 13 -44.259 7.080 12.225 1.00 0.00 C ATOM 215 C VAL A 13 -44.860 8.471 12.430 1.00 0.00 C ATOM 216 O VAL A 13 -45.786 8.641 13.224 1.00 0.00 O ATOM 217 CB VAL A 13 -44.157 6.683 10.751 1.00 0.00 C ATOM 218 CG1 VAL A 13 -45.330 7.254 9.949 1.00 0.00 C ATOM 219 CG2 VAL A 13 -42.819 7.124 10.155 1.00 0.00 C ATOM 0 H VAL A 13 -46.048 6.109 12.725 1.00 0.00 H new ATOM 0 HA VAL A 13 -43.240 7.106 12.611 1.00 0.00 H new ATOM 0 HB VAL A 13 -44.207 5.596 10.692 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -45.235 6.958 8.904 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -46.267 6.869 10.351 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -45.324 8.342 10.020 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -42.773 6.829 9.107 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -42.726 8.207 10.232 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -42.003 6.650 10.701 1.00 0.00 H new ATOM 229 N LYS A 14 -44.312 9.432 11.702 1.00 0.00 N ATOM 230 CA LYS A 14 -44.782 10.803 11.794 1.00 0.00 C ATOM 231 C LYS A 14 -45.158 11.303 10.398 1.00 0.00 C ATOM 232 O LYS A 14 -44.318 11.342 9.501 1.00 0.00 O ATOM 233 CB LYS A 14 -43.748 11.679 12.503 1.00 0.00 C ATOM 234 CG LYS A 14 -44.298 13.084 12.753 1.00 0.00 C ATOM 235 CD LYS A 14 -43.168 14.115 12.803 1.00 0.00 C ATOM 236 CE LYS A 14 -42.649 14.425 11.397 1.00 0.00 C ATOM 237 NZ LYS A 14 -41.207 14.757 11.439 1.00 0.00 N ATOM 0 H LYS A 14 -43.545 9.288 11.045 1.00 0.00 H new ATOM 0 HA LYS A 14 -45.682 10.856 12.406 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -43.467 11.221 13.451 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -42.843 11.741 11.898 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -45.002 13.349 11.964 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -44.851 13.100 13.692 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -43.527 15.031 13.273 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -42.353 13.738 13.421 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -42.812 13.567 10.745 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -43.208 15.259 10.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -40.870 14.965 10.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -41.060 15.590 12.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -40.676 13.950 11.825 1.00 0.00 H new ATOM 251 N CYS A 15 -46.423 11.674 10.257 1.00 0.00 N ATOM 252 CA CYS A 15 -46.921 12.169 8.985 1.00 0.00 C ATOM 253 C CYS A 15 -46.413 13.601 8.797 1.00 0.00 C ATOM 254 O CYS A 15 -46.871 14.520 9.473 1.00 0.00 O ATOM 255 CB CYS A 15 -48.446 12.090 8.904 1.00 0.00 C ATOM 256 SG CYS A 15 -49.006 12.502 7.211 1.00 0.00 S ATOM 0 H CYS A 15 -47.118 11.641 11.003 1.00 0.00 H new ATOM 0 HA CYS A 15 -46.548 11.541 8.176 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -48.781 11.088 9.173 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -48.893 12.779 9.621 1.00 0.00 H new ATOM 261 N PHE A 16 -45.474 13.745 7.873 1.00 0.00 N ATOM 262 CA PHE A 16 -44.899 15.048 7.586 1.00 0.00 C ATOM 263 C PHE A 16 -45.907 15.945 6.863 1.00 0.00 C ATOM 264 O PHE A 16 -45.545 17.001 6.347 1.00 0.00 O ATOM 265 CB PHE A 16 -43.694 14.815 6.673 1.00 0.00 C ATOM 266 CG PHE A 16 -43.155 16.087 6.017 1.00 0.00 C ATOM 267 CD1 PHE A 16 -42.870 17.178 6.779 1.00 0.00 C ATOM 268 CD2 PHE A 16 -42.961 16.130 4.672 1.00 0.00 C ATOM 269 CE1 PHE A 16 -42.370 18.359 6.170 1.00 0.00 C ATOM 270 CE2 PHE A 16 -42.461 17.311 4.063 1.00 0.00 C ATOM 271 CZ PHE A 16 -42.175 18.400 4.825 1.00 0.00 C ATOM 0 H PHE A 16 -45.097 12.980 7.313 1.00 0.00 H new ATOM 0 HA PHE A 16 -44.615 15.542 8.515 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -42.896 14.352 7.253 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -43.974 14.107 5.893 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -43.024 17.145 7.847 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -43.187 15.265 4.066 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -42.145 19.225 6.775 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -42.308 17.344 2.994 1.00 0.00 H new ATOM 0 HZ PHE A 16 -41.793 19.298 4.362 1.00 0.00 H new ATOM 281 N ASN A 17 -47.151 15.490 6.849 1.00 0.00 N ATOM 282 CA ASN A 17 -48.214 16.238 6.198 1.00 0.00 C ATOM 283 C ASN A 17 -49.298 16.574 7.224 1.00 0.00 C ATOM 284 O ASN A 17 -49.323 17.677 7.766 1.00 0.00 O ATOM 285 CB ASN A 17 -48.859 15.417 5.080 1.00 0.00 C ATOM 286 CG ASN A 17 -50.253 15.949 4.743 1.00 0.00 C ATOM 287 OD1 ASN A 17 -50.505 17.144 4.740 1.00 0.00 O ATOM 288 ND2 ASN A 17 -51.142 15.001 4.461 1.00 0.00 N ATOM 0 H ASN A 17 -47.447 14.613 7.278 1.00 0.00 H new ATOM 0 HA ASN A 17 -47.779 17.144 5.776 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -48.229 15.449 4.191 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -48.928 14.373 5.384 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -52.101 15.255 4.224 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -50.865 14.020 4.482 1.00 0.00 H new ATOM 295 N CYS A 18 -50.166 15.601 7.460 1.00 0.00 N ATOM 296 CA CYS A 18 -51.250 15.779 8.410 1.00 0.00 C ATOM 297 C CYS A 18 -50.644 15.923 9.808 1.00 0.00 C ATOM 298 O CYS A 18 -51.257 16.513 10.697 1.00 0.00 O ATOM 299 CB CYS A 18 -52.259 14.631 8.341 1.00 0.00 C ATOM 300 SG CYS A 18 -51.535 13.117 9.072 1.00 0.00 S ATOM 0 H CYS A 18 -50.140 14.686 7.009 1.00 0.00 H new ATOM 0 HA CYS A 18 -51.809 16.681 8.162 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -53.169 14.903 8.875 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -52.541 14.445 7.305 1.00 0.00 H new ATOM 305 N GLY A 19 -49.447 15.374 9.959 1.00 0.00 N ATOM 306 CA GLY A 19 -48.752 15.433 11.233 1.00 0.00 C ATOM 307 C GLY A 19 -48.989 14.159 12.047 1.00 0.00 C ATOM 308 O GLY A 19 -48.088 13.681 12.734 1.00 0.00 O ATOM 0 H GLY A 19 -48.941 14.886 9.220 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -47.684 15.566 11.063 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -49.095 16.299 11.799 1.00 0.00 H new ATOM 312 N LYS A 20 -50.207 13.647 11.944 1.00 0.00 N ATOM 313 CA LYS A 20 -50.573 12.439 12.661 1.00 0.00 C ATOM 314 C LYS A 20 -49.463 11.399 12.502 1.00 0.00 C ATOM 315 O LYS A 20 -48.777 11.369 11.481 1.00 0.00 O ATOM 316 CB LYS A 20 -51.949 11.944 12.210 1.00 0.00 C ATOM 317 CG LYS A 20 -53.004 13.042 12.364 1.00 0.00 C ATOM 318 CD LYS A 20 -54.416 12.453 12.338 1.00 0.00 C ATOM 319 CE LYS A 20 -55.247 12.969 13.514 1.00 0.00 C ATOM 320 NZ LYS A 20 -56.637 13.242 13.087 1.00 0.00 N ATOM 0 H LYS A 20 -50.952 14.047 11.374 1.00 0.00 H new ATOM 0 HA LYS A 20 -50.667 12.644 13.727 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -51.901 11.624 11.169 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -52.237 11.073 12.798 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -52.845 13.575 13.302 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -52.895 13.771 11.561 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -54.906 12.714 11.400 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -54.361 11.365 12.377 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -55.245 12.233 14.318 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -54.798 13.878 13.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -57.187 13.591 13.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -56.634 13.960 12.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -57.068 12.366 12.728 1.00 0.00 H new ATOM 334 N GLU A 21 -49.320 10.570 13.525 1.00 0.00 N ATOM 335 CA GLU A 21 -48.304 9.531 13.511 1.00 0.00 C ATOM 336 C GLU A 21 -48.925 8.188 13.120 1.00 0.00 C ATOM 337 O GLU A 21 -50.103 7.946 13.376 1.00 0.00 O ATOM 338 CB GLU A 21 -47.599 9.435 14.865 1.00 0.00 C ATOM 339 CG GLU A 21 -48.592 9.614 16.015 1.00 0.00 C ATOM 340 CD GLU A 21 -48.701 11.085 16.422 1.00 0.00 C ATOM 341 OE1 GLU A 21 -48.400 11.937 15.557 1.00 0.00 O ATOM 342 OE2 GLU A 21 -49.082 11.325 17.588 1.00 0.00 O ATOM 0 H GLU A 21 -49.891 10.596 14.370 1.00 0.00 H new ATOM 0 HA GLU A 21 -47.553 9.794 12.766 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -47.105 8.467 14.954 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -46.822 10.197 14.929 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -49.572 9.242 15.715 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -48.274 9.019 16.871 1.00 0.00 H new ATOM 349 N GLY A 22 -48.104 7.350 12.506 1.00 0.00 N ATOM 350 CA GLY A 22 -48.557 6.037 12.077 1.00 0.00 C ATOM 351 C GLY A 22 -48.256 5.811 10.594 1.00 0.00 C ATOM 352 O GLY A 22 -48.027 4.680 10.168 1.00 0.00 O ATOM 0 H GLY A 22 -47.127 7.554 12.295 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -48.067 5.267 12.673 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -49.629 5.943 12.253 1.00 0.00 H new ATOM 356 N HIS A 23 -48.268 6.905 9.847 1.00 0.00 N ATOM 357 CA HIS A 23 -48.000 6.841 8.420 1.00 0.00 C ATOM 358 C HIS A 23 -47.326 8.138 7.965 1.00 0.00 C ATOM 359 O HIS A 23 -47.166 9.068 8.754 1.00 0.00 O ATOM 360 CB HIS A 23 -49.278 6.532 7.640 1.00 0.00 C ATOM 361 CG HIS A 23 -50.299 7.645 7.668 1.00 0.00 C ATOM 362 ND1 HIS A 23 -51.422 7.611 8.475 1.00 0.00 N ATOM 363 CD2 HIS A 23 -50.354 8.821 6.980 1.00 0.00 C ATOM 364 CE1 HIS A 23 -52.116 8.722 8.274 1.00 0.00 C ATOM 365 NE2 HIS A 23 -51.451 9.471 7.347 1.00 0.00 N ATOM 0 H HIS A 23 -48.459 7.841 10.203 1.00 0.00 H new ATOM 0 HA HIS A 23 -47.311 6.022 8.213 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -49.016 6.319 6.604 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -49.730 5.628 8.047 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -51.673 6.858 9.116 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -49.628 9.165 6.259 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -53.044 8.988 8.758 1.00 0.00 H new ATOM 373 N ILE A 24 -46.952 8.159 6.695 1.00 0.00 N ATOM 374 CA ILE A 24 -46.300 9.326 6.126 1.00 0.00 C ATOM 375 C ILE A 24 -47.231 9.973 5.098 1.00 0.00 C ATOM 376 O ILE A 24 -48.177 9.343 4.628 1.00 0.00 O ATOM 377 CB ILE A 24 -44.928 8.952 5.562 1.00 0.00 C ATOM 378 CG1 ILE A 24 -45.049 7.845 4.513 1.00 0.00 C ATOM 379 CG2 ILE A 24 -43.959 8.575 6.684 1.00 0.00 C ATOM 380 CD1 ILE A 24 -43.741 7.683 3.734 1.00 0.00 C ATOM 0 H ILE A 24 -47.088 7.386 6.043 1.00 0.00 H new ATOM 0 HA ILE A 24 -46.109 10.071 6.899 1.00 0.00 H new ATOM 0 HB ILE A 24 -44.515 9.827 5.060 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -45.306 6.904 5.000 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -45.860 8.079 3.824 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -42.991 8.313 6.256 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -43.840 9.421 7.361 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -44.355 7.722 7.235 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -43.854 6.890 2.995 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -43.500 8.618 3.229 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -42.937 7.425 4.423 1.00 0.00 H new ATOM 392 N ALA A 25 -46.930 11.223 4.780 1.00 0.00 N ATOM 393 CA ALA A 25 -47.728 11.963 3.816 1.00 0.00 C ATOM 394 C ALA A 25 -47.772 11.191 2.497 1.00 0.00 C ATOM 395 O ALA A 25 -48.806 11.150 1.832 1.00 0.00 O ATOM 396 CB ALA A 25 -47.150 13.370 3.649 1.00 0.00 C ATOM 0 H ALA A 25 -46.145 11.743 5.172 1.00 0.00 H new ATOM 0 HA ALA A 25 -48.754 12.071 4.169 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -47.748 13.925 2.926 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -47.168 13.887 4.608 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -46.122 13.301 3.293 1.00 0.00 H new ATOM 402 N LYS A 26 -46.637 10.598 2.157 1.00 0.00 N ATOM 403 CA LYS A 26 -46.533 9.828 0.929 1.00 0.00 C ATOM 404 C LYS A 26 -47.815 9.016 0.731 1.00 0.00 C ATOM 405 O LYS A 26 -48.196 8.718 -0.400 1.00 0.00 O ATOM 406 CB LYS A 26 -45.261 8.979 0.934 1.00 0.00 C ATOM 407 CG LYS A 26 -45.597 7.489 1.018 1.00 0.00 C ATOM 408 CD LYS A 26 -44.495 6.640 0.379 1.00 0.00 C ATOM 409 CE LYS A 26 -43.117 7.255 0.628 1.00 0.00 C ATOM 410 NZ LYS A 26 -42.609 7.902 -0.602 1.00 0.00 N ATOM 0 H LYS A 26 -45.781 10.635 2.711 1.00 0.00 H new ATOM 0 HA LYS A 26 -46.440 10.492 0.070 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -44.685 9.175 0.030 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -44.634 9.262 1.779 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -45.725 7.200 2.061 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -46.545 7.298 0.516 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -44.526 5.630 0.788 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -44.671 6.556 -0.693 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -43.179 7.988 1.432 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -42.421 6.482 0.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -41.981 8.690 -0.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -42.080 7.207 -1.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -43.409 8.264 -1.159 1.00 0.00 H new ATOM 424 N ASN A 27 -48.444 8.683 1.848 1.00 0.00 N ATOM 425 CA ASN A 27 -49.674 7.911 1.811 1.00 0.00 C ATOM 426 C ASN A 27 -50.550 8.297 3.005 1.00 0.00 C ATOM 427 O ASN A 27 -50.917 7.445 3.812 1.00 0.00 O ATOM 428 CB ASN A 27 -49.387 6.411 1.903 1.00 0.00 C ATOM 429 CG ASN A 27 -48.063 6.149 2.624 1.00 0.00 C ATOM 430 OD1 ASN A 27 -47.928 6.818 3.765 1.00 0.00 O flip ATOM 431 ND2 ASN A 27 -47.220 5.390 2.173 1.00 0.00 N flip ATOM 0 H ASN A 27 -48.125 8.934 2.784 1.00 0.00 H new ATOM 0 HA ASN A 27 -50.177 8.125 0.868 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -50.199 5.914 2.434 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -49.351 5.982 0.902 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -47.388 4.908 1.290 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -46.347 5.238 2.679 1.00 0.00 H new ATOM 438 N CYS A 28 -50.858 9.584 3.080 1.00 0.00 N ATOM 439 CA CYS A 28 -51.683 10.093 4.161 1.00 0.00 C ATOM 440 C CYS A 28 -53.124 9.640 3.922 1.00 0.00 C ATOM 441 O CYS A 28 -53.725 9.980 2.904 1.00 0.00 O ATOM 442 CB CYS A 28 -51.576 11.615 4.286 1.00 0.00 C ATOM 443 SG CYS A 28 -52.641 12.208 5.650 1.00 0.00 S ATOM 0 H CYS A 28 -50.551 10.289 2.410 1.00 0.00 H new ATOM 0 HA CYS A 28 -51.330 9.690 5.111 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -50.541 11.901 4.472 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -51.874 12.087 3.350 1.00 0.00 H new ATOM 448 N ARG A 29 -53.637 8.878 4.877 1.00 0.00 N ATOM 449 CA ARG A 29 -54.997 8.374 4.782 1.00 0.00 C ATOM 450 C ARG A 29 -55.995 9.535 4.787 1.00 0.00 C ATOM 451 O ARG A 29 -57.090 9.419 4.240 1.00 0.00 O ATOM 452 CB ARG A 29 -55.317 7.430 5.943 1.00 0.00 C ATOM 453 CG ARG A 29 -55.670 6.033 5.432 1.00 0.00 C ATOM 454 CD ARG A 29 -56.957 5.520 6.080 1.00 0.00 C ATOM 455 NE ARG A 29 -56.637 4.755 7.306 1.00 0.00 N ATOM 456 CZ ARG A 29 -57.501 4.545 8.307 1.00 0.00 C ATOM 457 NH1 ARG A 29 -58.743 5.042 8.236 1.00 0.00 N ATOM 458 NH2 ARG A 29 -57.122 3.838 9.381 1.00 0.00 N ATOM 0 H ARG A 29 -53.136 8.597 5.720 1.00 0.00 H new ATOM 0 HA ARG A 29 -55.081 7.822 3.846 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -54.460 7.370 6.614 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -56.149 7.830 6.523 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -55.789 6.058 4.349 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -54.852 5.346 5.647 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -57.610 6.358 6.324 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -57.500 4.887 5.378 1.00 0.00 H new ATOM 0 HE ARG A 29 -55.699 4.363 7.394 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -59.031 5.581 7.419 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -59.401 4.882 8.999 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -56.176 3.460 9.435 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -57.780 3.678 10.144 1.00 0.00 H new ATOM 472 N ALA A 30 -55.580 10.626 5.413 1.00 0.00 N ATOM 473 CA ALA A 30 -56.424 11.806 5.497 1.00 0.00 C ATOM 474 C ALA A 30 -57.167 11.992 4.174 1.00 0.00 C ATOM 475 O ALA A 30 -56.607 12.513 3.210 1.00 0.00 O ATOM 476 CB ALA A 30 -55.567 13.022 5.860 1.00 0.00 C ATOM 0 H ALA A 30 -54.671 10.718 5.867 1.00 0.00 H new ATOM 0 HA ALA A 30 -57.172 11.687 6.281 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -56.200 13.907 5.923 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -55.084 12.852 6.822 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -54.807 13.173 5.094 1.00 0.00 H new ATOM 482 N PRO A 31 -58.451 11.543 4.168 1.00 0.00 N ATOM 483 CA PRO A 31 -59.278 11.654 2.978 1.00 0.00 C ATOM 484 C PRO A 31 -59.745 13.096 2.767 1.00 0.00 C ATOM 485 O PRO A 31 -60.929 13.344 2.551 1.00 0.00 O ATOM 486 CB PRO A 31 -60.427 10.686 3.205 1.00 0.00 C ATOM 487 CG PRO A 31 -60.454 10.415 4.701 1.00 0.00 C ATOM 488 CD PRO A 31 -59.148 10.921 5.290 1.00 0.00 C ATOM 0 HA PRO A 31 -58.737 11.403 2.066 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -61.371 11.115 2.869 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -60.278 9.764 2.644 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -61.302 10.918 5.165 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -60.572 9.349 4.894 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -59.327 11.638 6.091 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -58.564 10.105 5.716 1.00 0.00 H new ATOM 496 N ARG A 32 -58.787 14.010 2.837 1.00 0.00 N ATOM 497 CA ARG A 32 -59.085 15.421 2.657 1.00 0.00 C ATOM 498 C ARG A 32 -59.670 15.666 1.264 1.00 0.00 C ATOM 499 O ARG A 32 -59.789 14.738 0.465 1.00 0.00 O ATOM 500 CB ARG A 32 -57.829 16.276 2.832 1.00 0.00 C ATOM 501 CG ARG A 32 -56.838 16.036 1.691 1.00 0.00 C ATOM 502 CD ARG A 32 -55.452 15.682 2.234 1.00 0.00 C ATOM 503 NE ARG A 32 -54.465 15.671 1.132 1.00 0.00 N ATOM 504 CZ ARG A 32 -53.310 14.992 1.163 1.00 0.00 C ATOM 505 NH1 ARG A 32 -52.992 14.263 2.242 1.00 0.00 N ATOM 506 NH2 ARG A 32 -52.475 15.040 0.117 1.00 0.00 N ATOM 0 H ARG A 32 -57.805 13.801 3.016 1.00 0.00 H new ATOM 0 HA ARG A 32 -59.813 15.706 3.417 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -58.104 17.330 2.864 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -57.355 16.041 3.785 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -57.200 15.229 1.054 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -56.772 16.928 1.068 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -55.154 16.405 2.993 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -55.480 14.706 2.718 1.00 0.00 H new ATOM 0 HE ARG A 32 -54.677 16.215 0.295 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -53.629 14.226 3.038 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -52.113 13.746 2.267 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -52.718 15.594 -0.704 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -51.596 14.523 0.142 1.00 0.00 H new ATOM 520 N LYS A 33 -60.019 16.920 1.016 1.00 0.00 N ATOM 521 CA LYS A 33 -60.589 17.298 -0.267 1.00 0.00 C ATOM 522 C LYS A 33 -59.965 18.617 -0.727 1.00 0.00 C ATOM 523 O LYS A 33 -60.673 19.531 -1.144 1.00 0.00 O ATOM 524 CB LYS A 33 -62.116 17.337 -0.183 1.00 0.00 C ATOM 525 CG LYS A 33 -62.748 16.571 -1.347 1.00 0.00 C ATOM 526 CD LYS A 33 -64.266 16.475 -1.182 1.00 0.00 C ATOM 527 CE LYS A 33 -64.987 17.341 -2.216 1.00 0.00 C ATOM 528 NZ LYS A 33 -66.359 16.838 -2.449 1.00 0.00 N ATOM 0 H LYS A 33 -59.918 17.687 1.681 1.00 0.00 H new ATOM 0 HA LYS A 33 -60.353 16.551 -1.025 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -62.443 16.904 0.762 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -62.458 18.372 -0.195 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -62.512 17.071 -2.286 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -62.321 15.570 -1.402 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -64.582 15.437 -1.288 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -64.547 16.792 -0.178 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -65.026 18.374 -1.870 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -64.429 17.340 -3.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -66.834 17.438 -3.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -66.315 15.860 -2.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -66.894 16.862 -1.557 1.00 0.00 H new ATOM 542 N LYS A 34 -58.644 18.671 -0.638 1.00 0.00 N ATOM 543 CA LYS A 34 -57.916 19.863 -1.040 1.00 0.00 C ATOM 544 C LYS A 34 -58.191 20.988 -0.040 1.00 0.00 C ATOM 545 O LYS A 34 -59.320 21.467 0.064 1.00 0.00 O ATOM 546 CB LYS A 34 -58.250 20.231 -2.487 1.00 0.00 C ATOM 547 CG LYS A 34 -57.176 19.716 -3.447 1.00 0.00 C ATOM 548 CD LYS A 34 -57.791 19.299 -4.784 1.00 0.00 C ATOM 549 CE LYS A 34 -58.265 20.521 -5.574 1.00 0.00 C ATOM 550 NZ LYS A 34 -58.107 20.292 -7.027 1.00 0.00 N ATOM 0 H LYS A 34 -58.059 17.909 -0.294 1.00 0.00 H new ATOM 0 HA LYS A 34 -56.842 19.677 -1.021 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -59.218 19.809 -2.759 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -58.336 21.314 -2.580 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -56.429 20.492 -3.613 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -56.660 18.867 -2.999 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -57.057 18.745 -5.369 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -58.631 18.627 -4.608 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -59.310 20.727 -5.344 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -57.694 21.399 -5.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -58.433 21.131 -7.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -57.105 20.118 -7.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -58.672 19.466 -7.312 1.00 0.00 H new ATOM 564 N GLY A 35 -57.143 21.373 0.672 1.00 0.00 N ATOM 565 CA GLY A 35 -57.258 22.432 1.661 1.00 0.00 C ATOM 566 C GLY A 35 -55.879 22.940 2.084 1.00 0.00 C ATOM 567 O GLY A 35 -54.903 22.191 2.058 1.00 0.00 O ATOM 0 H GLY A 35 -56.210 20.971 0.584 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -57.843 23.255 1.251 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -57.797 22.062 2.534 1.00 0.00 H new ATOM 571 N CYS A 36 -55.841 24.208 2.464 1.00 0.00 N ATOM 572 CA CYS A 36 -54.596 24.825 2.893 1.00 0.00 C ATOM 573 C CYS A 36 -54.221 24.247 4.259 1.00 0.00 C ATOM 574 O CYS A 36 -54.820 24.601 5.273 1.00 0.00 O ATOM 575 CB CYS A 36 -54.703 26.350 2.928 1.00 0.00 C ATOM 576 SG CYS A 36 -53.088 27.080 3.382 1.00 0.00 S ATOM 0 H CYS A 36 -56.652 24.826 2.484 1.00 0.00 H new ATOM 0 HA CYS A 36 -53.808 24.599 2.175 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -55.019 26.723 1.954 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -55.464 26.653 3.648 1.00 0.00 H new ATOM 581 N TRP A 37 -53.229 23.368 4.242 1.00 0.00 N ATOM 582 CA TRP A 37 -52.766 22.737 5.466 1.00 0.00 C ATOM 583 C TRP A 37 -51.675 23.624 6.070 1.00 0.00 C ATOM 584 O TRP A 37 -50.927 23.186 6.942 1.00 0.00 O ATOM 585 CB TRP A 37 -52.295 21.306 5.202 1.00 0.00 C ATOM 586 CG TRP A 37 -50.794 21.098 5.407 1.00 0.00 C ATOM 587 CD1 TRP A 37 -50.185 20.255 6.253 1.00 0.00 C ATOM 588 CD2 TRP A 37 -49.728 21.780 4.713 1.00 0.00 C ATOM 589 NE1 TRP A 37 -48.811 20.345 6.157 1.00 0.00 N ATOM 590 CE2 TRP A 37 -48.525 21.303 5.190 1.00 0.00 C ATOM 591 CE3 TRP A 37 -49.779 22.770 3.716 1.00 0.00 C ATOM 592 CZ2 TRP A 37 -47.283 21.755 4.729 1.00 0.00 C ATOM 593 CZ3 TRP A 37 -48.530 23.212 3.264 1.00 0.00 C ATOM 594 CH2 TRP A 37 -47.309 22.741 3.736 1.00 0.00 C ATOM 0 H TRP A 37 -52.733 23.078 3.399 1.00 0.00 H new ATOM 0 HA TRP A 37 -53.580 22.646 6.185 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -52.839 20.628 5.860 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -52.553 21.032 4.179 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -50.705 19.589 6.926 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -48.131 19.808 6.696 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -50.709 23.159 3.329 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -46.355 21.364 5.119 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -48.513 23.971 2.496 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -46.385 23.134 3.338 1.00 0.00 H new ATOM 605 N LYS A 38 -51.620 24.855 5.583 1.00 0.00 N ATOM 606 CA LYS A 38 -50.634 25.807 6.064 1.00 0.00 C ATOM 607 C LYS A 38 -51.312 26.807 7.003 1.00 0.00 C ATOM 608 O LYS A 38 -50.701 27.277 7.961 1.00 0.00 O ATOM 609 CB LYS A 38 -49.905 26.462 4.891 1.00 0.00 C ATOM 610 CG LYS A 38 -48.934 27.540 5.379 1.00 0.00 C ATOM 611 CD LYS A 38 -47.659 26.912 5.946 1.00 0.00 C ATOM 612 CE LYS A 38 -47.503 27.236 7.433 1.00 0.00 C ATOM 613 NZ LYS A 38 -46.550 26.299 8.070 1.00 0.00 N ATOM 0 H LYS A 38 -52.243 25.215 4.860 1.00 0.00 H new ATOM 0 HA LYS A 38 -49.864 25.298 6.643 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -49.359 25.704 4.329 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -50.631 26.904 4.209 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -48.680 28.206 4.555 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -49.415 28.149 6.144 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -47.689 25.831 5.807 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -46.793 27.281 5.397 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -47.150 28.260 7.553 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -48.472 27.172 7.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -46.455 26.533 9.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -46.902 25.325 7.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -45.622 26.380 7.608 1.00 0.00 H new ATOM 627 N CYS A 39 -52.565 27.103 6.694 1.00 0.00 N ATOM 628 CA CYS A 39 -53.333 28.039 7.498 1.00 0.00 C ATOM 629 C CYS A 39 -54.417 27.256 8.243 1.00 0.00 C ATOM 630 O CYS A 39 -54.636 27.473 9.434 1.00 0.00 O ATOM 631 CB CYS A 39 -53.926 29.163 6.646 1.00 0.00 C ATOM 632 SG CYS A 39 -55.096 28.471 5.423 1.00 0.00 S ATOM 0 H CYS A 39 -53.068 26.711 5.898 1.00 0.00 H new ATOM 0 HA CYS A 39 -52.677 28.526 8.219 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -54.438 29.883 7.285 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -53.129 29.702 6.134 1.00 0.00 H new ATOM 637 N GLY A 40 -55.065 26.363 7.511 1.00 0.00 N ATOM 638 CA GLY A 40 -56.120 25.547 8.088 1.00 0.00 C ATOM 639 C GLY A 40 -57.473 25.867 7.448 1.00 0.00 C ATOM 640 O GLY A 40 -58.514 25.737 8.091 1.00 0.00 O ATOM 0 H GLY A 40 -54.880 26.186 6.524 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -55.887 24.492 7.946 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -56.172 25.720 9.163 1.00 0.00 H new ATOM 644 N LYS A 41 -57.413 26.280 6.191 1.00 0.00 N ATOM 645 CA LYS A 41 -58.621 26.620 5.458 1.00 0.00 C ATOM 646 C LYS A 41 -58.712 25.749 4.203 1.00 0.00 C ATOM 647 O LYS A 41 -57.854 25.825 3.326 1.00 0.00 O ATOM 648 CB LYS A 41 -58.667 28.122 5.169 1.00 0.00 C ATOM 649 CG LYS A 41 -59.629 28.834 6.122 1.00 0.00 C ATOM 650 CD LYS A 41 -59.785 30.308 5.743 1.00 0.00 C ATOM 651 CE LYS A 41 -61.189 30.590 5.204 1.00 0.00 C ATOM 652 NZ LYS A 41 -61.393 32.046 5.027 1.00 0.00 N ATOM 0 H LYS A 41 -56.548 26.387 5.661 1.00 0.00 H new ATOM 0 HA LYS A 41 -59.505 26.407 6.059 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -57.668 28.546 5.271 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -58.981 28.288 4.138 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -60.602 28.343 6.096 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -59.259 28.755 7.144 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -59.594 30.934 6.615 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -59.043 30.574 4.991 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -61.329 30.079 4.252 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -61.936 30.193 5.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -62.351 32.220 4.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -61.280 32.526 5.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -60.692 32.415 4.353 1.00 0.00 H new ATOM 666 N GLU A 42 -59.762 24.942 4.157 1.00 0.00 N ATOM 667 CA GLU A 42 -59.977 24.057 3.025 1.00 0.00 C ATOM 668 C GLU A 42 -60.480 24.853 1.818 1.00 0.00 C ATOM 669 O GLU A 42 -60.967 25.972 1.967 1.00 0.00 O ATOM 670 CB GLU A 42 -60.950 22.933 3.385 1.00 0.00 C ATOM 671 CG GLU A 42 -62.346 23.488 3.676 1.00 0.00 C ATOM 672 CD GLU A 42 -62.828 23.057 5.063 1.00 0.00 C ATOM 673 OE1 GLU A 42 -62.176 23.471 6.045 1.00 0.00 O ATOM 674 OE2 GLU A 42 -63.839 22.323 5.110 1.00 0.00 O ATOM 0 H GLU A 42 -60.473 24.883 4.886 1.00 0.00 H new ATOM 0 HA GLU A 42 -59.025 23.597 2.761 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -61.003 22.217 2.565 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -60.581 22.393 4.257 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -62.329 24.576 3.615 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -63.046 23.137 2.918 1.00 0.00 H new ATOM 681 N GLY A 43 -60.344 24.243 0.650 1.00 0.00 N ATOM 682 CA GLY A 43 -60.779 24.879 -0.582 1.00 0.00 C ATOM 683 C GLY A 43 -59.581 25.372 -1.395 1.00 0.00 C ATOM 684 O GLY A 43 -59.656 25.474 -2.620 1.00 0.00 O ATOM 0 H GLY A 43 -59.939 23.315 0.531 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -61.360 24.173 -1.175 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -61.436 25.717 -0.351 1.00 0.00 H new ATOM 688 N HIS A 44 -58.502 25.665 -0.684 1.00 0.00 N ATOM 689 CA HIS A 44 -57.290 26.145 -1.325 1.00 0.00 C ATOM 690 C HIS A 44 -56.079 25.408 -0.750 1.00 0.00 C ATOM 691 O HIS A 44 -56.231 24.475 0.036 1.00 0.00 O ATOM 692 CB HIS A 44 -57.173 27.666 -1.199 1.00 0.00 C ATOM 693 CG HIS A 44 -56.714 28.135 0.161 1.00 0.00 C ATOM 694 ND1 HIS A 44 -57.518 28.075 1.286 1.00 0.00 N ATOM 695 CD2 HIS A 44 -55.528 28.672 0.565 1.00 0.00 C ATOM 696 CE1 HIS A 44 -56.837 28.557 2.314 1.00 0.00 C ATOM 697 NE2 HIS A 44 -55.603 28.927 1.865 1.00 0.00 N ATOM 0 H HIS A 44 -58.442 25.579 0.331 1.00 0.00 H new ATOM 0 HA HIS A 44 -57.330 25.930 -2.393 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -56.475 28.030 -1.953 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -58.142 28.114 -1.419 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -58.474 27.720 1.318 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -54.672 28.858 -0.066 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -57.195 28.642 3.329 1.00 0.00 H new ATOM 705 N GLN A 45 -54.902 25.854 -1.166 1.00 0.00 N ATOM 706 CA GLN A 45 -53.666 25.248 -0.702 1.00 0.00 C ATOM 707 C GLN A 45 -52.670 26.331 -0.282 1.00 0.00 C ATOM 708 O GLN A 45 -52.879 27.512 -0.553 1.00 0.00 O ATOM 709 CB GLN A 45 -53.066 24.337 -1.774 1.00 0.00 C ATOM 710 CG GLN A 45 -52.413 25.157 -2.889 1.00 0.00 C ATOM 711 CD GLN A 45 -51.007 24.639 -3.199 1.00 0.00 C ATOM 712 OE1 GLN A 45 -50.183 24.441 -2.322 1.00 0.00 O ATOM 713 NE2 GLN A 45 -50.781 24.429 -4.493 1.00 0.00 N ATOM 0 H GLN A 45 -54.779 26.628 -1.819 1.00 0.00 H new ATOM 0 HA GLN A 45 -53.890 24.631 0.168 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -52.326 23.677 -1.322 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -53.846 23.702 -2.194 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -53.028 25.110 -3.788 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -52.361 26.205 -2.592 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -51.515 24.615 -5.176 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -49.873 24.081 -4.802 1.00 0.00 H new ATOM 722 N MET A 46 -51.605 25.889 0.372 1.00 0.00 N ATOM 723 CA MET A 46 -50.576 26.806 0.831 1.00 0.00 C ATOM 724 C MET A 46 -50.070 27.682 -0.317 1.00 0.00 C ATOM 725 O MET A 46 -49.859 28.881 -0.139 1.00 0.00 O ATOM 726 CB MET A 46 -49.408 26.009 1.418 1.00 0.00 C ATOM 727 CG MET A 46 -48.186 26.906 1.631 1.00 0.00 C ATOM 728 SD MET A 46 -47.138 26.215 2.900 1.00 0.00 S ATOM 729 CE MET A 46 -45.757 25.677 1.904 1.00 0.00 C ATOM 0 H MET A 46 -51.433 24.909 0.595 1.00 0.00 H new ATOM 0 HA MET A 46 -51.007 27.454 1.595 1.00 0.00 H new ATOM 0 HB2 MET A 46 -49.707 25.564 2.367 1.00 0.00 H new ATOM 0 HB3 MET A 46 -49.150 25.189 0.748 1.00 0.00 H new ATOM 0 HG2 MET A 46 -47.628 27.003 0.699 1.00 0.00 H new ATOM 0 HG3 MET A 46 -48.505 27.908 1.917 1.00 0.00 H new ATOM 0 HE1 MET A 46 -45.004 25.218 2.544 1.00 0.00 H new ATOM 0 HE2 MET A 46 -46.100 24.949 1.169 1.00 0.00 H new ATOM 0 HE3 MET A 46 -45.323 26.535 1.390 1.00 0.00 H new ATOM 739 N LYS A 47 -49.891 27.051 -1.467 1.00 0.00 N ATOM 740 CA LYS A 47 -49.414 27.759 -2.643 1.00 0.00 C ATOM 741 C LYS A 47 -50.319 28.963 -2.909 1.00 0.00 C ATOM 742 O LYS A 47 -49.877 29.963 -3.475 1.00 0.00 O ATOM 743 CB LYS A 47 -49.296 26.803 -3.832 1.00 0.00 C ATOM 744 CG LYS A 47 -48.331 27.352 -4.884 1.00 0.00 C ATOM 745 CD LYS A 47 -46.986 26.624 -4.828 1.00 0.00 C ATOM 746 CE LYS A 47 -46.903 25.545 -5.909 1.00 0.00 C ATOM 747 NZ LYS A 47 -46.657 26.156 -7.234 1.00 0.00 N ATOM 0 H LYS A 47 -50.068 26.057 -1.610 1.00 0.00 H new ATOM 0 HA LYS A 47 -48.409 28.146 -2.474 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -48.948 25.829 -3.487 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -50.278 26.650 -4.279 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -48.768 27.241 -5.876 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -48.178 28.419 -4.721 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -46.175 27.340 -4.960 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -46.854 26.171 -3.845 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -46.103 24.844 -5.671 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -47.831 24.973 -5.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -47.042 25.539 -7.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -47.122 27.085 -7.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -45.634 26.274 -7.377 1.00 0.00 H new ATOM 761 N ASP A 48 -51.569 28.828 -2.490 1.00 0.00 N ATOM 762 CA ASP A 48 -52.539 29.894 -2.676 1.00 0.00 C ATOM 763 C ASP A 48 -53.142 30.270 -1.322 1.00 0.00 C ATOM 764 O ASP A 48 -54.302 30.674 -1.244 1.00 0.00 O ATOM 765 CB ASP A 48 -53.679 29.447 -3.593 1.00 0.00 C ATOM 766 CG ASP A 48 -53.236 28.778 -4.896 1.00 0.00 C ATOM 767 OD1 ASP A 48 -52.922 27.569 -4.835 1.00 0.00 O ATOM 768 OD2 ASP A 48 -53.221 29.489 -5.922 1.00 0.00 O ATOM 0 H ASP A 48 -51.932 27.997 -2.023 1.00 0.00 H new ATOM 0 HA ASP A 48 -52.025 30.743 -3.127 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -54.316 28.753 -3.044 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -54.290 30.316 -3.838 1.00 0.00 H new ATOM 773 N CYS A 49 -52.329 30.125 -0.286 1.00 0.00 N ATOM 774 CA CYS A 49 -52.768 30.445 1.062 1.00 0.00 C ATOM 775 C CYS A 49 -53.376 31.849 1.048 1.00 0.00 C ATOM 776 O CYS A 49 -52.998 32.685 0.228 1.00 0.00 O ATOM 777 CB CYS A 49 -51.624 30.328 2.072 1.00 0.00 C ATOM 778 SG CYS A 49 -52.287 30.388 3.777 1.00 0.00 S ATOM 0 H CYS A 49 -51.368 29.790 -0.353 1.00 0.00 H new ATOM 0 HA CYS A 49 -53.523 29.727 1.382 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -51.084 29.394 1.916 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -50.911 31.138 1.922 1.00 0.00 H new ATOM 783 N THR A 50 -54.306 32.066 1.966 1.00 0.00 N ATOM 784 CA THR A 50 -54.970 33.353 2.070 1.00 0.00 C ATOM 785 C THR A 50 -54.546 34.069 3.355 1.00 0.00 C ATOM 786 O THR A 50 -54.685 35.287 3.465 1.00 0.00 O ATOM 787 CB THR A 50 -56.478 33.118 1.976 1.00 0.00 C ATOM 788 OG1 THR A 50 -57.040 34.424 2.068 1.00 0.00 O ATOM 789 CG2 THR A 50 -57.034 32.385 3.199 1.00 0.00 C ATOM 0 H THR A 50 -54.615 31.371 2.645 1.00 0.00 H new ATOM 0 HA THR A 50 -54.679 34.014 1.254 1.00 0.00 H new ATOM 0 HB THR A 50 -56.700 32.543 1.077 1.00 0.00 H new ATOM 0 HG1 THR A 50 -56.447 34.999 2.596 1.00 0.00 H new ATOM 0 HG21 THR A 50 -58.108 32.244 3.081 1.00 0.00 H new ATOM 0 HG22 THR A 50 -56.548 31.414 3.293 1.00 0.00 H new ATOM 0 HG23 THR A 50 -56.842 32.975 4.095 1.00 0.00 H new ATOM 797 N GLU A 51 -54.038 33.283 4.293 1.00 0.00 N ATOM 798 CA GLU A 51 -53.594 33.826 5.565 1.00 0.00 C ATOM 799 C GLU A 51 -52.186 34.410 5.429 1.00 0.00 C ATOM 800 O GLU A 51 -51.977 35.599 5.671 1.00 0.00 O ATOM 801 CB GLU A 51 -53.642 32.762 6.662 1.00 0.00 C ATOM 802 CG GLU A 51 -54.940 32.863 7.466 1.00 0.00 C ATOM 803 CD GLU A 51 -54.648 33.078 8.953 1.00 0.00 C ATOM 804 OE1 GLU A 51 -53.734 33.879 9.242 1.00 0.00 O ATOM 805 OE2 GLU A 51 -55.347 32.435 9.766 1.00 0.00 O ATOM 0 H GLU A 51 -53.924 32.274 4.197 1.00 0.00 H new ATOM 0 HA GLU A 51 -54.274 34.628 5.853 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -53.562 31.771 6.216 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -52.787 32.882 7.328 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -55.544 33.688 7.087 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -55.525 31.953 7.334 1.00 0.00 H new ATOM 812 N ARG A 52 -51.256 33.550 5.042 1.00 0.00 N ATOM 813 CA ARG A 52 -49.875 33.965 4.872 1.00 0.00 C ATOM 814 C ARG A 52 -49.209 34.167 6.234 1.00 0.00 C ATOM 815 O ARG A 52 -48.194 33.539 6.532 1.00 0.00 O ATOM 816 CB ARG A 52 -49.786 35.266 4.071 1.00 0.00 C ATOM 817 CG ARG A 52 -48.556 35.267 3.162 1.00 0.00 C ATOM 818 CD ARG A 52 -47.973 36.676 3.031 1.00 0.00 C ATOM 819 NE ARG A 52 -47.133 36.765 1.815 1.00 0.00 N ATOM 820 CZ ARG A 52 -46.188 37.694 1.621 1.00 0.00 C ATOM 821 NH1 ARG A 52 -45.955 38.620 2.561 1.00 0.00 N ATOM 822 NH2 ARG A 52 -45.475 37.699 0.486 1.00 0.00 N ATOM 0 H ARG A 52 -51.433 32.566 4.841 1.00 0.00 H new ATOM 0 HA ARG A 52 -49.358 33.177 4.324 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -50.687 35.390 3.470 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -49.739 36.115 4.753 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -47.800 34.593 3.566 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -48.827 34.889 2.176 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -48.779 37.409 2.981 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -47.378 36.916 3.912 1.00 0.00 H new ATOM 0 HE ARG A 52 -47.283 36.075 1.079 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -46.497 38.618 3.425 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -45.235 39.327 2.413 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -45.652 36.995 -0.231 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -44.755 38.407 0.339 1.00 0.00 H new ATOM 836 N GLN A 53 -49.807 35.044 7.026 1.00 0.00 N ATOM 837 CA GLN A 53 -49.285 35.336 8.350 1.00 0.00 C ATOM 838 C GLN A 53 -47.843 35.838 8.253 1.00 0.00 C ATOM 839 O GLN A 53 -47.223 35.755 7.193 1.00 0.00 O ATOM 840 CB GLN A 53 -49.380 34.109 9.259 1.00 0.00 C ATOM 841 CG GLN A 53 -50.550 34.239 10.236 1.00 0.00 C ATOM 842 CD GLN A 53 -51.453 33.005 10.177 1.00 0.00 C ATOM 843 OE1 GLN A 53 -51.407 32.214 9.249 1.00 0.00 O ATOM 844 NE2 GLN A 53 -52.273 32.885 11.216 1.00 0.00 N ATOM 0 H GLN A 53 -50.649 35.563 6.776 1.00 0.00 H new ATOM 0 HA GLN A 53 -49.893 36.124 8.794 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -49.506 33.212 8.653 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -48.450 33.991 9.814 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -50.170 34.368 11.249 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -51.130 35.130 9.998 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -52.260 33.583 11.959 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -52.915 32.094 11.270 1.00 0.00 H new ATOM 853 N ALA A 54 -47.350 36.346 9.373 1.00 0.00 N ATOM 854 CA ALA A 54 -45.993 36.861 9.428 1.00 0.00 C ATOM 855 C ALA A 54 -45.597 37.090 10.888 1.00 0.00 C ATOM 856 O ALA A 54 -46.079 38.024 11.526 1.00 0.00 O ATOM 857 CB ALA A 54 -45.896 38.138 8.590 1.00 0.00 C ATOM 0 H ALA A 54 -47.867 36.412 10.250 1.00 0.00 H new ATOM 0 HA ALA A 54 -45.292 36.141 9.006 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -44.878 38.524 8.632 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -46.158 37.915 7.556 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -46.584 38.886 8.985 1.00 0.00 H new ATOM 863 N ASN A 55 -44.723 36.221 11.374 1.00 0.00 N ATOM 864 CA ASN A 55 -44.256 36.317 12.747 1.00 0.00 C ATOM 865 C ASN A 55 -42.789 35.889 12.814 1.00 0.00 C ATOM 866 O ASN A 55 -42.002 36.214 11.926 1.00 0.00 O ATOM 867 CB ASN A 55 -45.061 35.396 13.667 1.00 0.00 C ATOM 868 CG ASN A 55 -44.953 35.848 15.125 1.00 0.00 C ATOM 869 OD1 ASN A 55 -44.218 35.290 15.922 1.00 0.00 O ATOM 870 ND2 ASN A 55 -45.727 36.887 15.427 1.00 0.00 N ATOM 0 H ASN A 55 -44.326 35.447 10.842 1.00 0.00 H new ATOM 0 HA ASN A 55 -44.378 37.350 13.074 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -46.107 35.393 13.360 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -44.698 34.373 13.572 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -45.728 37.263 16.375 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -46.319 37.307 14.711 1.00 0.00 H new HETATM 877 N NH2 A 56 -42.465 35.164 13.875 1.00 0.00 N TER 878 NH2 A 56 HETATM 879 OP3 CG1 B 201 -41.405 -7.782 5.058 1.00 0.00 O HETATM 880 P CG1 B 201 -41.320 -7.566 3.475 1.00 0.00 P HETATM 881 OP1 CG1 B 201 -40.141 -8.281 2.937 1.00 0.00 O HETATM 882 OP2 CG1 B 201 -41.448 -6.126 3.160 1.00 0.00 O HETATM 883 O5' CG1 B 201 -42.634 -8.307 2.939 1.00 0.00 O HETATM 884 C5' CG1 B 201 -42.626 -9.720 2.745 1.00 0.00 C HETATM 885 C4' CG1 B 201 -43.957 -10.176 2.189 1.00 0.00 C HETATM 886 O4' CG1 B 201 -44.983 -10.086 2.792 1.00 0.00 O HETATM 887 C3' CG1 B 201 -44.334 -9.538 0.855 1.00 0.00 C HETATM 888 O3' CG1 B 201 -43.533 -10.099 -0.183 1.00 0.00 O HETATM 889 C2' CG1 B 201 -45.791 -9.856 0.660 1.00 0.00 C HETATM 890 O2' CG1 B 201 -45.753 -10.954 -0.223 1.00 0.00 O HETATM 891 C1' CG1 B 201 -46.204 -10.181 2.093 1.00 0.00 C HETATM 892 N9 CG1 B 201 -47.208 -9.247 2.643 1.00 0.00 N HETATM 893 C8 CG1 B 201 -46.986 -8.036 3.194 1.00 0.00 C HETATM 894 N7 CG1 B 201 -48.104 -7.440 3.595 1.00 0.00 N HETATM 895 C5 CG1 B 201 -49.087 -8.338 3.274 1.00 0.00 C HETATM 896 C6 CG1 B 201 -50.487 -8.293 3.444 1.00 0.00 C HETATM 897 O6 CG1 B 201 -51.113 -7.364 3.951 1.00 0.00 O HETATM 898 N1 CG1 B 201 -51.206 -9.365 3.012 1.00 0.00 N HETATM 899 C2 CG1 B 201 -50.543 -10.401 2.450 1.00 0.00 C HETATM 900 N2 CG1 B 201 -51.382 -11.366 2.081 1.00 0.00 N HETATM 901 N3 CG1 B 201 -49.223 -10.551 2.239 1.00 0.00 N HETATM 902 C4 CG1 B 201 -48.563 -9.449 2.691 1.00 0.00 C HETATM 906 C CG1 B 201 -41.681 -6.676 5.914 1.00 0.00 C HETATM 0 HO2' CG1 B 201 -46.576 -10.975 -0.755 1.00 0.00 H new HETATM 0 HN2A CG1 B 201 -51.023 -12.213 1.641 1.00 0.00 H new HETATM 0 H5'A CG1 B 201 -41.824 -9.996 2.061 1.00 0.00 H new HETATM 0 HN2 CG1 B 201 -52.384 -11.258 2.238 1.00 0.00 H new HETATM 0 HN1 CG1 B 201 -52.221 -9.386 3.110 1.00 0.00 H new HETATM 0 HB CG1 B 201 -40.905 -5.920 5.793 1.00 0.00 H new HETATM 0 HA CG1 B 201 -42.649 -6.248 5.654 1.00 0.00 H new HETATM 0 H8 CG1 B 201 -45.995 -7.594 3.299 1.00 0.00 H new HETATM 0 H5' CG1 B 201 -42.426 -10.224 3.691 1.00 0.00 H new HETATM 0 H4' CG1 B 201 -43.658 -11.224 2.191 1.00 0.00 H new HETATM 0 H3' CG1 B 201 -44.166 -8.461 0.837 1.00 0.00 H new HETATM 0 H2' CG1 B 201 -46.476 -9.118 0.242 1.00 0.00 H new HETATM 0 H1' CG1 B 201 -46.691 -11.153 2.169 1.00 0.00 H new HETATM 0 H CG1 B 201 -41.700 -7.014 6.950 1.00 0.00 H new ATOM 915 P G B 202 -42.896 -9.150 -1.303 1.00 0.00 P ATOM 916 OP1 G B 202 -41.838 -9.883 -2.034 1.00 0.00 O ATOM 917 OP2 G B 202 -42.535 -7.846 -0.706 1.00 0.00 O ATOM 918 O5' G B 202 -44.118 -8.912 -2.309 1.00 0.00 O ATOM 919 C5' G B 202 -44.874 -10.023 -2.789 1.00 0.00 C ATOM 920 C4' G B 202 -46.347 -9.688 -2.786 1.00 0.00 C ATOM 921 O4' G B 202 -47.159 -9.494 -1.686 1.00 0.00 O ATOM 922 C3' G B 202 -46.688 -8.335 -3.406 1.00 0.00 C ATOM 923 O3' G B 202 -46.273 -8.320 -4.771 1.00 0.00 O ATOM 924 C2' G B 202 -48.181 -8.205 -3.282 1.00 0.00 C ATOM 925 O2' G B 202 -48.647 -8.886 -4.424 1.00 0.00 O ATOM 926 C1' G B 202 -48.417 -8.915 -1.952 1.00 0.00 C ATOM 927 N9 G B 202 -48.827 -8.005 -0.862 1.00 0.00 N ATOM 928 C8 G B 202 -48.032 -7.208 -0.118 1.00 0.00 C ATOM 929 N7 G B 202 -48.710 -6.507 0.786 1.00 0.00 N ATOM 930 C5 G B 202 -50.010 -6.892 0.593 1.00 0.00 C ATOM 931 C6 G B 202 -51.204 -6.507 1.238 1.00 0.00 C ATOM 932 O6 G B 202 -51.287 -5.696 2.158 1.00 0.00 O ATOM 933 N1 G B 202 -52.361 -7.081 0.808 1.00 0.00 N ATOM 934 C2 G B 202 -52.299 -7.977 -0.203 1.00 0.00 C ATOM 935 N2 G B 202 -53.507 -8.446 -0.507 1.00 0.00 N ATOM 936 N3 G B 202 -51.225 -8.415 -0.885 1.00 0.00 N ATOM 937 C4 G B 202 -50.104 -7.805 -0.408 1.00 0.00 C ATOM 0 H5' G B 202 -44.690 -10.896 -2.163 1.00 0.00 H new ATOM 0 H5'' G B 202 -44.554 -10.282 -3.798 1.00 0.00 H new ATOM 0 H4' G B 202 -46.543 -10.654 -3.252 1.00 0.00 H new ATOM 0 H3' G B 202 -46.184 -7.504 -2.913 1.00 0.00 H new ATOM 0 H2' G B 202 -48.661 -7.226 -3.262 1.00 0.00 H new ATOM 0 HO2' G B 202 -47.929 -8.940 -5.088 1.00 0.00 H new ATOM 0 H1' G B 202 -49.238 -9.630 -2.010 1.00 0.00 H new ATOM 0 H8 G B 202 -46.961 -7.146 -0.243 1.00 0.00 H new ATOM 0 H1 G B 202 -53.254 -6.841 1.238 1.00 0.00 H new ATOM 0 H21 G B 202 -53.614 -9.133 -1.254 1.00 0.00 H new ATOM 0 H22 G B 202 -54.325 -8.119 0.007 1.00 0.00 H new ATOM 949 P C B 203 -45.665 -6.985 -5.407 1.00 0.00 P ATOM 950 OP1 C B 203 -44.814 -7.330 -6.569 1.00 0.00 O ATOM 951 OP2 C B 203 -45.060 -6.155 -4.342 1.00 0.00 O ATOM 952 O5' C B 203 -46.961 -6.223 -5.953 1.00 0.00 O ATOM 953 C5' C B 203 -47.834 -6.872 -6.876 1.00 0.00 C ATOM 954 C4' C B 203 -49.275 -6.628 -6.487 1.00 0.00 C ATOM 955 O4' C B 203 -49.220 -6.484 -5.191 1.00 0.00 O ATOM 956 C3' C B 203 -49.783 -5.224 -6.798 1.00 0.00 C ATOM 957 O3' C B 203 -50.355 -5.205 -8.105 1.00 0.00 O ATOM 958 C2' C B 203 -50.812 -4.931 -5.742 1.00 0.00 C ATOM 959 O2' C B 203 -52.025 -5.208 -6.406 1.00 0.00 O ATOM 960 C1' C B 203 -50.409 -5.937 -4.667 1.00 0.00 C ATOM 961 N1 C B 203 -50.177 -5.322 -3.343 1.00 0.00 N ATOM 962 C2 C B 203 -51.267 -5.203 -2.483 1.00 0.00 C ATOM 963 O2 C B 203 -52.369 -5.614 -2.864 1.00 0.00 O ATOM 964 N3 C B 203 -51.080 -4.647 -1.272 1.00 0.00 N ATOM 965 C4 C B 203 -49.898 -4.214 -0.882 1.00 0.00 C ATOM 966 N4 C B 203 -49.734 -3.669 0.317 1.00 0.00 N ATOM 967 C5 C B 203 -48.751 -4.326 -1.754 1.00 0.00 C ATOM 968 C6 C B 203 -48.954 -4.882 -2.958 1.00 0.00 C ATOM 0 H5' C B 203 -47.629 -7.943 -6.891 1.00 0.00 H new ATOM 0 H5'' C B 203 -47.653 -6.499 -7.884 1.00 0.00 H new ATOM 0 H4' C B 203 -49.869 -7.408 -6.964 1.00 0.00 H new ATOM 0 H3' C B 203 -48.992 -4.475 -6.788 1.00 0.00 H new ATOM 0 H2' C B 203 -50.896 -3.939 -5.299 1.00 0.00 H new ATOM 0 HO2' C B 203 -51.840 -5.698 -7.234 1.00 0.00 H new ATOM 0 H1' C B 203 -51.193 -6.669 -4.475 1.00 0.00 H new ATOM 0 H41 C B 203 -48.813 -3.338 0.605 1.00 0.00 H new ATOM 0 H42 C B 203 -50.529 -3.581 0.950 1.00 0.00 H new ATOM 0 H5 C B 203 -47.775 -3.978 -1.450 1.00 0.00 H new ATOM 0 H6 C B 203 -48.121 -4.982 -3.638 1.00 0.00 H new ATOM 980 P G B 204 -50.031 -3.997 -9.102 1.00 0.00 P ATOM 981 OP1 G B 204 -50.145 -4.462 -10.502 1.00 0.00 O ATOM 982 OP2 G B 204 -48.765 -3.345 -8.701 1.00 0.00 O ATOM 983 O5' G B 204 -51.225 -2.971 -8.823 1.00 0.00 O ATOM 984 C5' G B 204 -52.576 -3.427 -8.838 1.00 0.00 C ATOM 985 C4' G B 204 -53.466 -2.442 -8.113 1.00 0.00 C ATOM 986 O4' G B 204 -53.717 -2.419 -7.037 1.00 0.00 O ATOM 987 C3' G B 204 -53.309 -0.995 -8.573 1.00 0.00 C ATOM 988 O3' G B 204 -54.143 -0.765 -9.707 1.00 0.00 O ATOM 989 C2' G B 204 -53.731 -0.158 -7.398 1.00 0.00 C ATOM 990 O2' G B 204 -54.973 0.362 -7.818 1.00 0.00 O ATOM 991 C1' G B 204 -53.801 -1.218 -6.303 1.00 0.00 C ATOM 992 N9 G B 204 -52.707 -1.117 -5.315 1.00 0.00 N ATOM 993 C8 G B 204 -51.434 -1.541 -5.455 1.00 0.00 C ATOM 994 N7 G B 204 -50.693 -1.302 -4.378 1.00 0.00 N ATOM 995 C5 G B 204 -51.558 -0.691 -3.512 1.00 0.00 C ATOM 996 C6 G B 204 -51.376 -0.194 -2.204 1.00 0.00 C ATOM 997 O6 G B 204 -50.323 -0.230 -1.568 1.00 0.00 O ATOM 998 N1 G B 204 -52.453 0.370 -1.593 1.00 0.00 N ATOM 999 C2 G B 204 -53.623 0.423 -2.268 1.00 0.00 C ATOM 1000 N2 G B 204 -54.576 1.001 -1.540 1.00 0.00 N ATOM 1001 N3 G B 204 -53.908 -0.016 -3.509 1.00 0.00 N ATOM 1002 C4 G B 204 -52.794 -0.567 -4.063 1.00 0.00 C ATOM 0 H5' G B 204 -52.643 -4.406 -8.364 1.00 0.00 H new ATOM 0 H5'' G B 204 -52.916 -3.547 -9.867 1.00 0.00 H new ATOM 0 H4' G B 204 -54.317 -3.024 -8.467 1.00 0.00 H new ATOM 0 H3' G B 204 -52.290 -0.753 -8.876 1.00 0.00 H new ATOM 0 H2' G B 204 -53.120 0.677 -7.056 1.00 0.00 H new ATOM 0 HO2' G B 204 -55.179 1.171 -7.305 1.00 0.00 H new ATOM 0 H1' G B 204 -54.702 -1.124 -5.696 1.00 0.00 H new ATOM 0 H8 G B 204 -51.058 -2.022 -6.346 1.00 0.00 H new ATOM 0 H1 G B 204 -52.379 0.744 -0.647 1.00 0.00 H new ATOM 0 H21 G B 204 -55.515 1.110 -1.923 1.00 0.00 H new ATOM 0 H22 G B 204 -54.367 1.335 -0.599 1.00 0.00 H new ATOM 1014 P A B 205 -53.649 0.206 -10.879 1.00 0.00 P ATOM 1015 OP1 A B 205 -54.672 0.256 -11.948 1.00 0.00 O ATOM 1016 OP2 A B 205 -52.267 -0.148 -11.271 1.00 0.00 O ATOM 1017 O5' A B 205 -53.608 1.638 -10.167 1.00 0.00 O ATOM 1018 C5' A B 205 -54.822 2.267 -9.760 1.00 0.00 C ATOM 1019 C4' A B 205 -54.598 3.059 -8.492 1.00 0.00 C ATOM 1020 O4' A B 205 -54.018 2.544 -7.465 1.00 0.00 O ATOM 1021 C3' A B 205 -53.666 4.257 -8.653 1.00 0.00 C ATOM 1022 O3' A B 205 -54.313 5.259 -9.434 1.00 0.00 O ATOM 1023 C2' A B 205 -53.392 4.739 -7.255 1.00 0.00 C ATOM 1024 O2' A B 205 -54.334 5.776 -7.095 1.00 0.00 O ATOM 1025 C1' A B 205 -53.673 3.469 -6.457 1.00 0.00 C ATOM 1026 N9 A B 205 -52.513 2.995 -5.673 1.00 0.00 N ATOM 1027 C8 A B 205 -51.491 2.227 -6.105 1.00 0.00 C ATOM 1028 N7 A B 205 -50.601 1.975 -5.150 1.00 0.00 N ATOM 1029 C5 A B 205 -51.100 2.628 -4.055 1.00 0.00 C ATOM 1030 C6 A B 205 -50.617 2.742 -2.735 1.00 0.00 C ATOM 1031 N6 A B 205 -49.469 2.172 -2.284 1.00 0.00 N ATOM 1032 N1 A B 205 -51.356 3.474 -1.858 1.00 0.00 N ATOM 1033 C2 A B 205 -52.501 4.044 -2.298 1.00 0.00 C ATOM 1034 N3 A B 205 -53.053 4.002 -3.525 1.00 0.00 N ATOM 1035 C4 A B 205 -52.267 3.257 -4.352 1.00 0.00 C ATOM 0 H5' A B 205 -55.593 1.514 -9.596 1.00 0.00 H new ATOM 0 H5'' A B 205 -55.182 2.926 -10.550 1.00 0.00 H new ATOM 0 H4' A B 205 -55.662 3.221 -8.321 1.00 0.00 H new ATOM 0 H3' A B 205 -52.737 4.006 -9.166 1.00 0.00 H new ATOM 0 H2' A B 205 -52.414 5.133 -6.978 1.00 0.00 H new ATOM 0 HO2' A B 205 -55.048 5.674 -7.758 1.00 0.00 H new ATOM 0 H1' A B 205 -54.445 3.623 -5.703 1.00 0.00 H new ATOM 0 H8 A B 205 -51.405 1.857 -7.116 1.00 0.00 H new ATOM 0 H61 A B 205 -49.184 2.299 -1.313 1.00 0.00 H new ATOM 0 H62 A B 205 -48.893 1.617 -2.916 1.00 0.00 H new ATOM 0 H2 A B 205 -53.049 4.613 -1.562 1.00 0.00 H new ATOM 1047 P C B 206 -53.509 6.013 -10.594 1.00 0.00 P ATOM 1048 OP1 C B 206 -54.430 6.348 -11.703 1.00 0.00 O ATOM 1049 OP2 C B 206 -52.287 5.250 -10.930 1.00 0.00 O ATOM 1050 O5' C B 206 -53.063 7.379 -9.892 1.00 0.00 O ATOM 1051 C5' C B 206 -53.875 7.956 -8.872 1.00 0.00 C ATOM 1052 C4' C B 206 -53.059 8.174 -7.619 1.00 0.00 C ATOM 1053 O4' C B 206 -52.400 7.250 -7.224 1.00 0.00 O ATOM 1054 C3' C B 206 -52.013 9.281 -7.732 1.00 0.00 C ATOM 1055 O3' C B 206 -52.634 10.545 -7.505 1.00 0.00 O ATOM 1056 C2' C B 206 -50.991 8.970 -6.672 1.00 0.00 C ATOM 1057 O2' C B 206 -51.407 9.779 -5.595 1.00 0.00 O ATOM 1058 C1' C B 206 -51.216 7.472 -6.493 1.00 0.00 C ATOM 1059 N1 C B 206 -50.106 6.644 -7.011 1.00 0.00 N ATOM 1060 C2 C B 206 -49.130 6.229 -6.106 1.00 0.00 C ATOM 1061 O2 C B 206 -49.236 6.569 -4.923 1.00 0.00 O ATOM 1062 N3 C B 206 -48.110 5.474 -6.554 1.00 0.00 N ATOM 1063 C4 C B 206 -48.012 5.120 -7.820 1.00 0.00 C ATOM 1064 N4 C B 206 -46.997 4.376 -8.242 1.00 0.00 N ATOM 1065 C5 C B 206 -49.010 5.537 -8.777 1.00 0.00 C ATOM 1066 C6 C B 206 -50.020 6.288 -8.316 1.00 0.00 C ATOM 0 H5' C B 206 -54.720 7.302 -8.656 1.00 0.00 H new ATOM 0 H5'' C B 206 -54.286 8.905 -9.217 1.00 0.00 H new ATOM 0 H4' C B 206 -53.881 8.397 -6.938 1.00 0.00 H new ATOM 0 H3' C B 206 -51.549 9.329 -8.717 1.00 0.00 H new ATOM 0 H2' C B 206 -49.931 9.161 -6.839 1.00 0.00 H new ATOM 0 HO2' C B 206 -51.315 10.723 -5.840 1.00 0.00 H new ATOM 0 H1' C B 206 -51.278 7.190 -5.442 1.00 0.00 H new ATOM 0 H41 C B 206 -46.934 4.110 -9.225 1.00 0.00 H new ATOM 0 H42 C B 206 -46.280 4.071 -7.584 1.00 0.00 H new ATOM 0 H5 C B 206 -48.945 5.256 -9.818 1.00 0.00 H new ATOM 0 H6 C B 206 -50.786 6.618 -9.003 1.00 0.00 H new ATOM 1078 P U B 207 -52.408 11.743 -8.540 1.00 0.00 P ATOM 1079 OP1 U B 207 -53.715 12.217 -9.048 1.00 0.00 O ATOM 1080 OP2 U B 207 -51.389 11.353 -9.540 1.00 0.00 O ATOM 1081 O5' U B 207 -51.786 12.898 -7.625 1.00 0.00 O ATOM 1082 C5' U B 207 -52.235 13.061 -6.281 1.00 0.00 C ATOM 1083 C4' U B 207 -51.060 13.004 -5.330 1.00 0.00 C ATOM 1084 O4' U B 207 -50.334 11.910 -5.817 1.00 0.00 O ATOM 1085 C3' U B 207 -49.934 13.981 -5.660 1.00 0.00 C ATOM 1086 O3' U B 207 -50.193 15.233 -5.028 1.00 0.00 O ATOM 1087 C2' U B 207 -48.684 13.340 -5.125 1.00 0.00 C ATOM 1088 O2' U B 207 -48.599 13.866 -3.820 1.00 0.00 O ATOM 1089 C1' U B 207 -49.061 11.863 -5.214 1.00 0.00 C ATOM 1090 N1 U B 207 -48.116 11.061 -6.020 1.00 0.00 N ATOM 1091 C2 U B 207 -47.064 10.517 -5.351 1.00 0.00 C ATOM 1092 O2 U B 207 -46.876 10.660 -4.152 1.00 0.00 O ATOM 1093 N3 U B 207 -46.183 9.769 -6.099 1.00 0.00 N ATOM 1094 C4 U B 207 -46.321 9.559 -7.448 1.00 0.00 C ATOM 1095 O4 U B 207 -45.473 8.873 -8.016 1.00 0.00 O ATOM 1096 C5 U B 207 -47.437 10.150 -8.098 1.00 0.00 C ATOM 1097 C6 U B 207 -48.279 10.871 -7.353 1.00 0.00 C ATOM 0 H5' U B 207 -52.953 12.279 -6.032 1.00 0.00 H new ATOM 0 H5'' U B 207 -52.752 14.014 -6.175 1.00 0.00 H new ATOM 0 H4' U B 207 -51.465 13.092 -4.322 1.00 0.00 H new ATOM 0 H3' U B 207 -49.842 14.179 -6.728 1.00 0.00 H new ATOM 0 H2' U B 207 -47.720 13.499 -5.609 1.00 0.00 H new ATOM 0 HO2' U B 207 -49.441 14.313 -3.592 1.00 0.00 H new ATOM 0 H1' U B 207 -49.043 11.375 -4.240 1.00 0.00 H new ATOM 0 H3 U B 207 -45.384 9.348 -5.625 1.00 0.00 H new ATOM 0 H5 U B 207 -47.599 10.021 -9.158 1.00 0.00 H new ATOM 0 H6 U B 207 -49.132 11.325 -7.836 1.00 0.00 H new ATOM 1108 P G B 208 -49.801 16.596 -5.766 1.00 0.00 P ATOM 1109 OP1 G B 208 -50.498 17.731 -5.118 1.00 0.00 O ATOM 1110 OP2 G B 208 -49.968 16.438 -7.228 1.00 0.00 O ATOM 1111 O5' G B 208 -48.237 16.737 -5.460 1.00 0.00 O ATOM 1112 C5' G B 208 -47.762 16.642 -4.119 1.00 0.00 C ATOM 1113 C4' G B 208 -46.390 16.007 -4.096 1.00 0.00 C ATOM 1114 O4' G B 208 -46.390 14.958 -4.843 1.00 0.00 O ATOM 1115 C3' G B 208 -45.325 16.784 -4.866 1.00 0.00 C ATOM 1116 O3' G B 208 -44.783 17.803 -4.027 1.00 0.00 O ATOM 1117 C2' G B 208 -44.283 15.765 -5.238 1.00 0.00 C ATOM 1118 O2' G B 208 -43.313 15.930 -4.229 1.00 0.00 O ATOM 1119 C1' G B 208 -45.102 14.480 -5.159 1.00 0.00 C ATOM 1120 N9 G B 208 -45.112 13.709 -6.420 1.00 0.00 N ATOM 1121 C8 G B 208 -45.936 13.876 -7.476 1.00 0.00 C ATOM 1122 N7 G B 208 -45.688 13.018 -8.461 1.00 0.00 N ATOM 1123 C5 G B 208 -44.644 12.269 -7.989 1.00 0.00 C ATOM 1124 C6 G B 208 -43.927 11.198 -8.564 1.00 0.00 C ATOM 1125 O6 G B 208 -44.136 10.717 -9.676 1.00 0.00 O ATOM 1126 N1 G B 208 -42.921 10.651 -7.827 1.00 0.00 N ATOM 1127 C2 G B 208 -42.669 11.160 -6.600 1.00 0.00 C ATOM 1128 N2 G B 208 -41.662 10.522 -6.009 1.00 0.00 N ATOM 1129 N3 G B 208 -43.284 12.172 -5.958 1.00 0.00 N ATOM 1130 C4 G B 208 -44.276 12.674 -6.745 1.00 0.00 C ATOM 0 H5' G B 208 -48.455 16.050 -3.521 1.00 0.00 H new ATOM 0 H5'' G B 208 -47.719 17.634 -3.669 1.00 0.00 H new ATOM 0 H4' G B 208 -46.187 15.896 -3.031 1.00 0.00 H new ATOM 0 H3' G B 208 -45.719 17.280 -5.753 1.00 0.00 H new ATOM 0 H2' G B 208 -43.771 15.810 -6.199 1.00 0.00 H new ATOM 0 HO2' G B 208 -43.635 16.578 -3.568 1.00 0.00 H new ATOM 0 H1' G B 208 -44.693 13.777 -4.433 1.00 0.00 H new ATOM 0 H8 G B 208 -46.713 14.625 -7.516 1.00 0.00 H new ATOM 0 H1 G B 208 -42.370 9.874 -8.193 1.00 0.00 H new ATOM 0 H21 G B 208 -41.360 10.800 -5.075 1.00 0.00 H new ATOM 0 H22 G B 208 -41.192 9.755 -6.490 1.00 0.00 H new ATOM 1142 P G B 209 -44.473 19.252 -4.630 1.00 0.00 P ATOM 1143 OP1 G B 209 -45.219 19.436 -5.895 1.00 0.00 O ATOM 1144 OP2 G B 209 -43.010 19.477 -4.659 1.00 0.00 O ATOM 1145 O5' G B 209 -45.102 20.238 -3.537 1.00 0.00 O ATOM 1146 C5' G B 209 -44.525 20.322 -2.236 1.00 0.00 C ATOM 1147 C4' G B 209 -45.556 19.976 -1.186 1.00 0.00 C ATOM 1148 O4' G B 209 -46.286 20.424 -0.067 1.00 0.00 O ATOM 1149 C3' G B 209 -46.369 18.722 -1.490 1.00 0.00 C ATOM 1150 O3' G B 209 -45.894 17.642 -0.688 1.00 0.00 O ATOM 1151 C2' G B 209 -47.790 19.078 -1.150 1.00 0.00 C ATOM 1152 O2' G B 209 -48.389 17.815 -0.962 1.00 0.00 O ATOM 1153 C1' G B 209 -47.581 19.899 0.119 1.00 0.00 C ATOM 1154 N9 G B 209 -48.576 20.979 0.293 1.00 0.00 N ATOM 1155 C8 G B 209 -48.463 22.266 -0.095 1.00 0.00 C ATOM 1156 N7 G B 209 -49.536 22.989 0.208 1.00 0.00 N ATOM 1157 C5 G B 209 -50.371 22.096 0.824 1.00 0.00 C ATOM 1158 C6 G B 209 -51.661 22.247 1.375 1.00 0.00 C ATOM 1159 O6 G B 209 -52.307 23.293 1.398 1.00 0.00 O ATOM 1160 N1 G B 209 -52.240 21.146 1.928 1.00 0.00 N ATOM 1161 C2 G B 209 -51.552 19.982 1.918 1.00 0.00 C ATOM 1162 N2 G B 209 -52.248 19.005 2.493 1.00 0.00 N ATOM 1163 N3 G B 209 -50.327 19.724 1.424 1.00 0.00 N ATOM 1164 C4 G B 209 -49.804 20.861 0.887 1.00 0.00 C ATOM 0 H5' G B 209 -44.143 21.328 -2.064 1.00 0.00 H new ATOM 0 H5'' G B 209 -43.677 19.642 -2.162 1.00 0.00 H new ATOM 0 H4' G B 209 -44.702 20.613 -0.955 1.00 0.00 H new ATOM 0 H3' G B 209 -46.286 18.404 -2.529 1.00 0.00 H new ATOM 0 H2' G B 209 -48.411 19.639 -1.848 1.00 0.00 H new ATOM 0 HO2' G B 209 -47.920 17.333 -0.249 1.00 0.00 H new ATOM 0 H1' G B 209 -47.697 19.297 1.020 1.00 0.00 H new ATOM 0 H8 G B 209 -47.595 22.666 -0.597 1.00 0.00 H new ATOM 0 H1 G B 209 -53.171 21.198 2.340 1.00 0.00 H new ATOM 0 H21 G B 209 -51.853 18.067 2.558 1.00 0.00 H new ATOM 0 H22 G B 209 -53.177 19.194 2.869 1.00 0.00 H new ATOM 1176 P U B 210 -44.323 17.355 -0.583 1.00 0.00 P ATOM 1177 OP1 U B 210 -43.730 18.204 0.474 1.00 0.00 O ATOM 1178 OP2 U B 210 -43.714 17.420 -1.932 1.00 0.00 O ATOM 1179 O5' U B 210 -44.267 15.836 -0.088 1.00 0.00 O ATOM 1180 C5' U B 210 -43.231 15.411 0.795 1.00 0.00 C ATOM 1181 C4' U B 210 -43.181 13.901 0.850 1.00 0.00 C ATOM 1182 O4' U B 210 -44.357 13.856 1.383 1.00 0.00 O ATOM 1183 C3' U B 210 -43.364 13.215 -0.501 1.00 0.00 C ATOM 1184 O3' U B 210 -42.903 11.868 -0.415 1.00 0.00 O ATOM 1185 C2' U B 210 -44.839 13.276 -0.780 1.00 0.00 C ATOM 1186 O2' U B 210 -45.062 12.103 -1.529 1.00 0.00 O ATOM 1187 C1' U B 210 -45.399 13.263 0.640 1.00 0.00 C ATOM 1188 N1 U B 210 -46.658 14.023 0.784 1.00 0.00 N ATOM 1189 C2 U B 210 -47.796 13.383 0.398 1.00 0.00 C ATOM 1190 O2 U B 210 -47.816 12.247 -0.047 1.00 0.00 O ATOM 1191 N3 U B 210 -48.971 14.090 0.532 1.00 0.00 N ATOM 1192 C4 U B 210 -49.035 15.369 1.023 1.00 0.00 C ATOM 1193 O4 U B 210 -50.141 15.903 1.097 1.00 0.00 O ATOM 1194 C5 U B 210 -47.819 15.990 1.411 1.00 0.00 C ATOM 1195 C6 U B 210 -46.692 15.288 1.273 1.00 0.00 C ATOM 0 H5' U B 210 -43.406 15.813 1.793 1.00 0.00 H new ATOM 0 H5'' U B 210 -42.271 15.802 0.457 1.00 0.00 H new ATOM 0 H4' U B 210 -42.280 13.465 1.281 1.00 0.00 H new ATOM 0 H3' U B 210 -42.797 13.693 -1.300 1.00 0.00 H new ATOM 0 H2' U B 210 -45.271 14.110 -1.333 1.00 0.00 H new ATOM 0 HO2' U B 210 -44.275 11.522 -1.469 1.00 0.00 H new ATOM 0 H1' U B 210 -45.669 12.259 0.966 1.00 0.00 H new ATOM 0 H3 U B 210 -49.841 13.637 0.251 1.00 0.00 H new ATOM 0 H5 U B 210 -47.806 16.996 1.804 1.00 0.00 H new ATOM 0 H6 U B 210 -45.761 15.750 1.565 1.00 0.00 H new ATOM 1206 P G B 211 -41.494 11.462 -1.056 1.00 0.00 P ATOM 1207 OP1 G B 211 -40.807 12.674 -1.558 1.00 0.00 O ATOM 1208 OP2 G B 211 -41.683 10.343 -2.005 1.00 0.00 O ATOM 1209 O5' G B 211 -40.671 10.912 0.201 1.00 0.00 O ATOM 1210 C5' G B 211 -39.359 10.384 0.019 1.00 0.00 C ATOM 1211 C4' G B 211 -38.630 10.336 1.342 1.00 0.00 C ATOM 1212 O4' G B 211 -39.172 10.981 2.054 1.00 0.00 O ATOM 1213 C3' G B 211 -38.579 8.952 1.984 1.00 0.00 C ATOM 1214 O3' G B 211 -37.280 8.393 1.804 1.00 0.00 O ATOM 1215 C2' G B 211 -38.887 9.178 3.438 1.00 0.00 C ATOM 1216 O2' G B 211 -37.640 8.953 4.057 1.00 0.00 O ATOM 1217 C1' G B 211 -39.351 10.631 3.408 1.00 0.00 C ATOM 1218 N9 G B 211 -40.758 10.809 3.824 1.00 0.00 N ATOM 1219 C8 G B 211 -41.862 10.671 3.060 1.00 0.00 C ATOM 1220 N7 G B 211 -42.983 10.901 3.735 1.00 0.00 N ATOM 1221 C5 G B 211 -42.552 11.200 4.999 1.00 0.00 C ATOM 1222 C6 G B 211 -43.258 11.534 6.174 1.00 0.00 C ATOM 1223 O6 G B 211 -44.482 11.622 6.269 1.00 0.00 O ATOM 1224 N1 G B 211 -42.529 11.783 7.295 1.00 0.00 N ATOM 1225 C2 G B 211 -41.182 11.694 7.220 1.00 0.00 C ATOM 1226 N2 G B 211 -40.613 11.964 8.393 1.00 0.00 N ATOM 1227 N3 G B 211 -40.409 11.386 6.162 1.00 0.00 N ATOM 1228 C4 G B 211 -41.196 11.150 5.076 1.00 0.00 C ATOM 0 H5' G B 211 -38.805 11.001 -0.688 1.00 0.00 H new ATOM 0 H5'' G B 211 -39.417 9.383 -0.409 1.00 0.00 H new ATOM 0 H4' G B 211 -37.607 10.652 1.135 1.00 0.00 H new ATOM 0 H3' G B 211 -39.288 8.252 1.541 1.00 0.00 H new ATOM 0 H2' G B 211 -39.629 8.571 3.956 1.00 0.00 H new ATOM 0 HO2' G B 211 -36.927 9.013 3.387 1.00 0.00 H new ATOM 0 H1' G B 211 -38.796 11.253 4.110 1.00 0.00 H new ATOM 0 H8 G B 211 -41.837 10.403 2.014 1.00 0.00 H new ATOM 0 H1 G B 211 -42.988 12.031 8.172 1.00 0.00 H new ATOM 0 H21 G B 211 -39.598 11.935 8.486 1.00 0.00 H new ATOM 0 H22 G B 211 -41.192 12.200 9.199 1.00 0.00 H new ATOM 1240 P A B 212 -37.080 6.806 1.843 1.00 0.00 P ATOM 1241 OP1 A B 212 -38.369 6.134 1.568 1.00 0.00 O ATOM 1242 OP2 A B 212 -36.361 6.425 3.079 1.00 0.00 O ATOM 1243 O5' A B 212 -36.107 6.537 0.601 1.00 0.00 O ATOM 1244 C5' A B 212 -36.218 7.330 -0.578 1.00 0.00 C ATOM 1245 C4' A B 212 -37.646 7.329 -1.073 1.00 0.00 C ATOM 1246 O4' A B 212 -38.463 7.990 -2.009 1.00 0.00 O ATOM 1247 C3' A B 212 -38.180 5.950 -1.453 1.00 0.00 C ATOM 1248 O3' A B 212 -37.797 5.003 -0.459 1.00 0.00 O ATOM 1249 C2' A B 212 -39.674 6.107 -1.520 1.00 0.00 C ATOM 1250 O2' A B 212 -40.058 5.985 -0.169 1.00 0.00 O ATOM 1251 C1' A B 212 -39.785 7.510 -2.110 1.00 0.00 C ATOM 1252 N9 A B 212 -40.255 7.525 -3.511 1.00 0.00 N ATOM 1253 C8 A B 212 -39.553 7.188 -4.613 1.00 0.00 C ATOM 1254 N7 A B 212 -40.263 7.310 -5.730 1.00 0.00 N ATOM 1255 C5 A B 212 -41.485 7.751 -5.297 1.00 0.00 C ATOM 1256 C6 A B 212 -42.668 8.067 -5.997 1.00 0.00 C ATOM 1257 N6 A B 212 -42.809 7.981 -7.346 1.00 0.00 N ATOM 1258 N1 A B 212 -43.736 8.486 -5.266 1.00 0.00 N ATOM 1259 C2 A B 212 -43.604 8.576 -3.924 1.00 0.00 C ATOM 1260 N3 A B 212 -42.533 8.302 -3.156 1.00 0.00 N ATOM 1261 C4 A B 212 -41.502 7.889 -3.945 1.00 0.00 C ATOM 0 H5' A B 212 -35.557 6.940 -1.352 1.00 0.00 H new ATOM 0 H5'' A B 212 -35.898 8.351 -0.370 1.00 0.00 H new ATOM 0 H4' A B 212 -37.668 7.976 -0.196 1.00 0.00 H new ATOM 0 H3' A B 212 -37.785 5.589 -2.402 1.00 0.00 H new ATOM 0 H2' A B 212 -40.287 5.419 -2.102 1.00 0.00 H new ATOM 0 HO2' A B 212 -39.277 5.747 0.373 1.00 0.00 H new ATOM 0 H1' A B 212 -40.524 8.117 -1.587 1.00 0.00 H new ATOM 0 H8 A B 212 -38.526 6.855 -4.590 1.00 0.00 H new ATOM 0 H61 A B 212 -43.697 8.227 -7.783 1.00 0.00 H new ATOM 0 H62 A B 212 -42.026 7.670 -7.922 1.00 0.00 H new ATOM 0 H2 A B 212 -44.481 8.915 -3.393 1.00 0.00 H new ATOM 1273 P G B 213 -37.457 3.496 -0.877 1.00 0.00 P ATOM 1274 OP1 G B 213 -36.513 2.909 0.098 1.00 0.00 O ATOM 1275 OP2 G B 213 -37.077 3.450 -2.308 1.00 0.00 O ATOM 1276 O5' G B 213 -38.863 2.751 -0.715 1.00 0.00 O ATOM 1277 C5' G B 213 -39.579 2.840 0.516 1.00 0.00 C ATOM 1278 C4' G B 213 -40.970 3.379 0.270 1.00 0.00 C ATOM 1279 O4' G B 213 -41.362 3.944 -0.595 1.00 0.00 O ATOM 1280 C3' G B 213 -42.095 2.445 0.705 1.00 0.00 C ATOM 1281 O3' G B 213 -42.188 2.445 2.128 1.00 0.00 O ATOM 1282 C2' G B 213 -43.341 2.999 0.071 1.00 0.00 C ATOM 1283 O2' G B 213 -44.037 3.534 1.173 1.00 0.00 O ATOM 1284 C1' G B 213 -42.740 4.026 -0.885 1.00 0.00 C ATOM 1285 N9 G B 213 -43.004 3.730 -2.309 1.00 0.00 N ATOM 1286 C8 G B 213 -42.306 2.905 -3.118 1.00 0.00 C ATOM 1287 N7 G B 213 -42.801 2.857 -4.350 1.00 0.00 N ATOM 1288 C5 G B 213 -43.876 3.704 -4.307 1.00 0.00 C ATOM 1289 C6 G B 213 -44.809 4.082 -5.295 1.00 0.00 C ATOM 1290 O6 G B 213 -44.818 3.680 -6.457 1.00 0.00 O ATOM 1291 N1 G B 213 -45.782 4.963 -4.935 1.00 0.00 N ATOM 1292 C2 G B 213 -45.797 5.422 -3.663 1.00 0.00 C ATOM 1293 N2 G B 213 -46.803 6.271 -3.467 1.00 0.00 N ATOM 1294 N3 G B 213 -44.964 5.133 -2.646 1.00 0.00 N ATOM 1295 C4 G B 213 -44.018 4.250 -3.070 1.00 0.00 C ATOM 0 H5' G B 213 -39.046 3.490 1.210 1.00 0.00 H new ATOM 0 H5'' G B 213 -39.639 1.857 0.983 1.00 0.00 H new ATOM 0 H4' G B 213 -40.653 4.221 0.886 1.00 0.00 H new ATOM 0 H3' G B 213 -41.930 1.412 0.398 1.00 0.00 H new ATOM 0 H2' G B 213 -44.029 2.353 -0.474 1.00 0.00 H new ATOM 0 HO2' G B 213 -43.503 3.416 1.986 1.00 0.00 H new ATOM 0 H1' G B 213 -43.171 5.017 -0.745 1.00 0.00 H new ATOM 0 H8 G B 213 -41.440 2.345 -2.799 1.00 0.00 H new ATOM 0 H1 G B 213 -46.484 5.270 -5.609 1.00 0.00 H new ATOM 0 H21 G B 213 -46.939 6.698 -2.551 1.00 0.00 H new ATOM 0 H22 G B 213 -47.438 6.494 -4.233 1.00 0.00 H new ATOM 1307 P U B 214 -42.114 1.065 2.934 1.00 0.00 P ATOM 1308 OP1 U B 214 -40.815 0.965 3.635 1.00 0.00 O ATOM 1309 OP2 U B 214 -42.498 -0.053 2.044 1.00 0.00 O ATOM 1310 O5' U B 214 -43.261 1.232 4.038 1.00 0.00 O ATOM 1311 C5' U B 214 -44.088 0.122 4.381 1.00 0.00 C ATOM 1312 C4' U B 214 -45.378 0.173 3.594 1.00 0.00 C ATOM 1313 O4' U B 214 -46.080 0.851 2.866 1.00 0.00 O ATOM 1314 C3' U B 214 -46.236 -1.084 3.709 1.00 0.00 C ATOM 1315 O3' U B 214 -47.184 -0.916 4.760 1.00 0.00 O ATOM 1316 C2' U B 214 -46.913 -1.225 2.374 1.00 0.00 C ATOM 1317 O2' U B 214 -48.205 -1.667 2.726 1.00 0.00 O ATOM 1318 C1' U B 214 -46.829 0.209 1.859 1.00 0.00 C ATOM 1319 N1 U B 214 -46.165 0.325 0.544 1.00 0.00 N ATOM 1320 C2 U B 214 -46.877 0.941 -0.440 1.00 0.00 C ATOM 1321 O2 U B 214 -48.003 1.384 -0.283 1.00 0.00 O ATOM 1322 N3 U B 214 -46.259 1.049 -1.665 1.00 0.00 N ATOM 1323 C4 U B 214 -44.998 0.578 -1.925 1.00 0.00 C ATOM 1324 O4 U B 214 -44.546 0.731 -3.059 1.00 0.00 O ATOM 1325 C5 U B 214 -44.299 -0.056 -0.864 1.00 0.00 C ATOM 1326 C6 U B 214 -44.916 -0.151 0.316 1.00 0.00 C ATOM 0 H5' U B 214 -44.304 0.136 5.449 1.00 0.00 H new ATOM 0 H5'' U B 214 -43.563 -0.810 4.174 1.00 0.00 H new ATOM 0 H4' U B 214 -44.627 0.963 3.599 1.00 0.00 H new ATOM 0 H3' U B 214 -45.655 -1.975 3.946 1.00 0.00 H new ATOM 0 H2' U B 214 -46.524 -1.906 1.617 1.00 0.00 H new ATOM 0 HO2' U B 214 -48.411 -1.381 3.640 1.00 0.00 H new ATOM 0 H1' U B 214 -47.815 0.641 1.687 1.00 0.00 H new ATOM 0 H3 U B 214 -46.768 1.505 -2.422 1.00 0.00 H new ATOM 0 H5 U B 214 -43.303 -0.448 -1.007 1.00 0.00 H new ATOM 0 H6 U B 214 -44.394 -0.631 1.130 1.00 0.00 H new ATOM 1337 P A B 215 -46.859 -1.470 6.226 1.00 0.00 P ATOM 1338 OP1 A B 215 -45.393 -1.524 6.425 1.00 0.00 O ATOM 1339 OP2 A B 215 -47.627 -2.711 6.472 1.00 0.00 O ATOM 1340 O5' A B 215 -47.446 -0.328 7.181 1.00 0.00 O ATOM 1341 C5' A B 215 -48.849 -0.255 7.425 1.00 0.00 C ATOM 1342 C4' A B 215 -49.233 1.149 7.834 1.00 0.00 C ATOM 1343 O4' A B 215 -48.516 2.278 7.412 1.00 0.00 O ATOM 1344 C3' A B 215 -50.685 1.516 7.542 1.00 0.00 C ATOM 1345 O3' A B 215 -51.503 1.132 8.646 1.00 0.00 O ATOM 1346 C2' A B 215 -50.686 3.006 7.346 1.00 0.00 C ATOM 1347 O2' A B 215 -50.829 3.492 8.662 1.00 0.00 O ATOM 1348 C1' A B 215 -49.312 3.212 6.716 1.00 0.00 C ATOM 1349 N9 A B 215 -49.286 2.957 5.261 1.00 0.00 N ATOM 1350 C8 A B 215 -48.399 2.205 4.577 1.00 0.00 C ATOM 1351 N7 A B 215 -48.651 2.176 3.272 1.00 0.00 N ATOM 1352 C5 A B 215 -49.766 2.959 3.134 1.00 0.00 C ATOM 1353 C6 A B 215 -50.519 3.321 1.999 1.00 0.00 C ATOM 1354 N6 A B 215 -50.244 2.916 0.732 1.00 0.00 N ATOM 1355 N1 A B 215 -51.596 4.130 2.193 1.00 0.00 N ATOM 1356 C2 A B 215 -51.878 4.537 3.451 1.00 0.00 C ATOM 1357 N3 A B 215 -51.233 4.257 4.599 1.00 0.00 N ATOM 1358 C4 A B 215 -50.170 3.447 4.336 1.00 0.00 C ATOM 0 H5' A B 215 -49.127 -0.959 8.209 1.00 0.00 H new ATOM 0 H5'' A B 215 -49.397 -0.544 6.528 1.00 0.00 H new ATOM 0 H4' A B 215 -48.977 0.988 8.881 1.00 0.00 H new ATOM 0 H3' A B 215 -51.083 1.009 6.663 1.00 0.00 H new ATOM 0 H2' A B 215 -51.443 3.491 6.730 1.00 0.00 H new ATOM 0 HO2' A B 215 -51.084 2.756 9.257 1.00 0.00 H new ATOM 0 H1' A B 215 -48.973 4.244 6.800 1.00 0.00 H new ATOM 0 H8 A B 215 -47.574 1.683 5.039 1.00 0.00 H new ATOM 0 H61 A B 215 -50.836 3.220 -0.041 1.00 0.00 H new ATOM 0 H62 A B 215 -49.445 2.308 0.553 1.00 0.00 H new ATOM 0 H2 A B 215 -52.743 5.177 3.549 1.00 0.00 H new ATOM 1370 P C B 216 -52.673 0.061 8.440 1.00 0.00 P ATOM 1371 OP1 C B 216 -53.599 0.107 9.594 1.00 0.00 O ATOM 1372 OP2 C B 216 -52.090 -1.252 8.085 1.00 0.00 O ATOM 1373 O5' C B 216 -53.452 0.620 7.159 1.00 0.00 O ATOM 1374 C5' C B 216 -53.997 1.937 7.175 1.00 0.00 C ATOM 1375 C4' C B 216 -54.532 2.294 5.806 1.00 0.00 C ATOM 1376 O4' C B 216 -54.256 2.921 4.906 1.00 0.00 O ATOM 1377 C3' C B 216 -55.741 1.475 5.368 1.00 0.00 C ATOM 1378 O3' C B 216 -56.931 2.084 5.864 1.00 0.00 O ATOM 1379 C2' C B 216 -55.703 1.482 3.865 1.00 0.00 C ATOM 1380 O2' C B 216 -56.970 1.998 3.525 1.00 0.00 O ATOM 1381 C1' C B 216 -54.525 2.419 3.615 1.00 0.00 C ATOM 1382 N1 C B 216 -53.340 1.740 3.050 1.00 0.00 N ATOM 1383 C2 C B 216 -53.181 1.762 1.665 1.00 0.00 C ATOM 1384 O2 C B 216 -54.029 2.344 0.981 1.00 0.00 O ATOM 1385 N3 C B 216 -52.111 1.151 1.127 1.00 0.00 N ATOM 1386 C4 C B 216 -51.214 0.535 1.872 1.00 0.00 C ATOM 1387 N4 C B 216 -50.165 -0.063 1.322 1.00 0.00 N ATOM 1388 C5 C B 216 -51.357 0.497 3.309 1.00 0.00 C ATOM 1389 C6 C B 216 -52.428 1.111 3.832 1.00 0.00 C ATOM 0 H5' C B 216 -53.231 2.653 7.473 1.00 0.00 H new ATOM 0 H5'' C B 216 -54.796 2.000 7.914 1.00 0.00 H new ATOM 0 H4' C B 216 -53.912 2.989 6.371 1.00 0.00 H new ATOM 0 H3' C B 216 -55.724 0.455 5.752 1.00 0.00 H new ATOM 0 H2' C B 216 -55.559 0.559 3.303 1.00 0.00 H new ATOM 0 HO2' C B 216 -57.287 2.585 4.243 1.00 0.00 H new ATOM 0 H1' C B 216 -54.760 3.183 2.874 1.00 0.00 H new ATOM 0 H41 C B 216 -49.480 -0.535 1.912 1.00 0.00 H new ATOM 0 H42 C B 216 -50.044 -0.050 0.309 1.00 0.00 H new ATOM 0 H5 C B 216 -50.633 -0.004 3.935 1.00 0.00 H new ATOM 0 H6 C B 216 -52.568 1.104 4.903 1.00 0.00 H new ATOM 1401 P G B 217 -58.161 1.173 6.331 1.00 0.00 P ATOM 1402 OP1 G B 217 -59.380 2.003 6.448 1.00 0.00 O ATOM 1403 OP2 G B 217 -57.767 0.369 7.510 1.00 0.00 O ATOM 1404 O5' G B 217 -58.360 0.175 5.096 1.00 0.00 O ATOM 1405 C5' G B 217 -59.318 0.474 4.084 1.00 0.00 C ATOM 1406 C4' G B 217 -59.219 -0.532 2.960 1.00 0.00 C ATOM 1407 O4' G B 217 -58.411 -0.603 2.121 1.00 0.00 O ATOM 1408 C3' G B 217 -59.501 -1.973 3.378 1.00 0.00 C ATOM 1409 O3' G B 217 -60.907 -2.155 3.531 1.00 0.00 O ATOM 1410 C2' G B 217 -58.952 -2.823 2.266 1.00 0.00 C ATOM 1411 O2' G B 217 -60.105 -3.127 1.511 1.00 0.00 O ATOM 1412 C1' G B 217 -57.981 -1.845 1.612 1.00 0.00 C ATOM 1413 N9 G B 217 -56.566 -2.101 1.955 1.00 0.00 N ATOM 1414 C8 G B 217 -55.936 -1.803 3.111 1.00 0.00 C ATOM 1415 N7 G B 217 -54.658 -2.165 3.106 1.00 0.00 N ATOM 1416 C5 G B 217 -54.479 -2.724 1.870 1.00 0.00 C ATOM 1417 C6 G B 217 -53.343 -3.296 1.258 1.00 0.00 C ATOM 1418 O6 G B 217 -52.231 -3.397 1.772 1.00 0.00 O ATOM 1419 N1 G B 217 -53.489 -3.776 -0.008 1.00 0.00 N ATOM 1420 C2 G B 217 -54.701 -3.678 -0.600 1.00 0.00 C ATOM 1421 N2 G B 217 -54.682 -4.189 -1.828 1.00 0.00 N ATOM 1422 N3 G B 217 -55.843 -3.156 -0.114 1.00 0.00 N ATOM 1423 C4 G B 217 -55.631 -2.696 1.150 1.00 0.00 C ATOM 0 H5' G B 217 -59.149 1.479 3.698 1.00 0.00 H new ATOM 0 H5'' G B 217 -60.322 0.460 4.508 1.00 0.00 H new ATOM 0 H4' G B 217 -59.981 0.053 2.446 1.00 0.00 H new ATOM 0 H3' G B 217 -59.042 -2.237 4.331 1.00 0.00 H new ATOM 0 H2' G B 217 -58.436 -3.760 2.478 1.00 0.00 H new ATOM 0 HO2' G B 217 -60.901 -2.818 1.992 1.00 0.00 H new ATOM 0 H1' G B 217 -57.998 -1.916 0.524 1.00 0.00 H new ATOM 0 H8 G B 217 -56.419 -1.322 3.949 1.00 0.00 H new ATOM 0 H1 G B 217 -52.702 -4.200 -0.499 1.00 0.00 H new ATOM 0 H21 G B 217 -55.529 -4.184 -2.396 1.00 0.00 H new ATOM 0 H22 G B 217 -53.820 -4.586 -2.202 1.00 0.00 H new ATOM 1435 P C B 218 -61.465 -3.234 4.573 1.00 0.00 P ATOM 1436 OP1 C B 218 -62.939 -3.313 4.466 1.00 0.00 O ATOM 1437 OP2 C B 218 -60.891 -2.977 5.912 1.00 0.00 O ATOM 1438 O5' C B 218 -60.855 -4.609 4.028 1.00 0.00 O ATOM 1439 C5' C B 218 -61.519 -5.320 2.985 1.00 0.00 C ATOM 1440 C4' C B 218 -60.534 -6.196 2.245 1.00 0.00 C ATOM 1441 O4' C B 218 -59.398 -5.815 1.630 1.00 0.00 O ATOM 1442 C3' C B 218 -59.973 -7.351 3.069 1.00 0.00 C ATOM 1443 O3' C B 218 -61.021 -8.271 3.368 1.00 0.00 O ATOM 1444 C2' C B 218 -58.917 -7.981 2.204 1.00 0.00 C ATOM 1445 O2' C B 218 -59.666 -8.847 1.381 1.00 0.00 O ATOM 1446 C1' C B 218 -58.346 -6.748 1.511 1.00 0.00 C ATOM 1447 N1 C B 218 -57.107 -6.239 2.138 1.00 0.00 N ATOM 1448 C2 C B 218 -55.898 -6.523 1.506 1.00 0.00 C ATOM 1449 O2 C B 218 -55.916 -7.180 0.460 1.00 0.00 O ATOM 1450 N3 C B 218 -54.758 -6.070 2.058 1.00 0.00 N ATOM 1451 C4 C B 218 -54.757 -5.370 3.174 1.00 0.00 C ATOM 1452 N4 C B 218 -53.620 -4.933 3.704 1.00 0.00 N ATOM 1453 C5 C B 218 -55.997 -5.063 3.850 1.00 0.00 C ATOM 1454 C6 C B 218 -57.125 -5.521 3.287 1.00 0.00 C ATOM 0 H5' C B 218 -61.983 -4.617 2.293 1.00 0.00 H new ATOM 0 H5'' C B 218 -62.319 -5.931 3.403 1.00 0.00 H new ATOM 0 H4' C B 218 -61.289 -6.338 1.472 1.00 0.00 H new ATOM 0 H3' C B 218 -59.552 -7.028 4.021 1.00 0.00 H new ATOM 0 H2' C B 218 -58.104 -8.561 2.642 1.00 0.00 H new ATOM 0 HO2' C B 218 -60.621 -8.732 1.569 1.00 0.00 H new ATOM 0 H1' C B 218 -58.045 -6.958 0.485 1.00 0.00 H new ATOM 0 H41 C B 218 -53.635 -4.392 4.569 1.00 0.00 H new ATOM 0 H42 C B 218 -52.732 -5.138 3.246 1.00 0.00 H new ATOM 0 H5 C B 218 -56.015 -4.491 4.766 1.00 0.00 H new ATOM 0 H6 C B 218 -58.072 -5.312 3.762 1.00 0.00 H new ATOM 1466 P C B 219 -61.063 -9.000 4.793 1.00 0.00 P ATOM 1467 OP1 C B 219 -62.455 -9.381 5.116 1.00 0.00 O ATOM 1468 OP2 C B 219 -60.327 -8.191 5.789 1.00 0.00 O ATOM 1469 O5' C B 219 -60.230 -10.342 4.534 1.00 0.00 O ATOM 1470 C5' C B 219 -60.447 -11.097 3.344 1.00 0.00 C ATOM 1471 C4' C B 219 -59.203 -11.883 2.994 1.00 0.00 C ATOM 1472 O4' C B 219 -58.174 -11.100 2.490 1.00 0.00 O ATOM 1473 C3' C B 219 -58.438 -12.422 4.199 1.00 0.00 C ATOM 1474 O3' C B 219 -59.068 -13.628 4.660 1.00 0.00 O ATOM 1475 C2' C B 219 -57.044 -12.682 3.701 1.00 0.00 C ATOM 1476 O2' C B 219 -57.171 -13.934 3.063 1.00 0.00 O ATOM 1477 C1' C B 219 -56.848 -11.490 2.770 1.00 0.00 C ATOM 1478 N1 C B 219 -56.084 -10.383 3.382 1.00 0.00 N ATOM 1479 C2 C B 219 -54.742 -10.246 3.025 1.00 0.00 C ATOM 1480 O2 C B 219 -54.260 -11.050 2.219 1.00 0.00 O ATOM 1481 N3 C B 219 -54.026 -9.247 3.569 1.00 0.00 N ATOM 1482 C4 C B 219 -54.557 -8.400 4.428 1.00 0.00 C ATOM 1483 N4 C B 219 -53.832 -7.419 4.954 1.00 0.00 N ATOM 1484 C5 C B 219 -55.944 -8.519 4.815 1.00 0.00 C ATOM 1485 C6 C B 219 -56.645 -9.521 4.264 1.00 0.00 C ATOM 0 H5' C B 219 -60.708 -10.429 2.523 1.00 0.00 H new ATOM 0 H5'' C B 219 -61.289 -11.776 3.483 1.00 0.00 H new ATOM 0 H4' C B 219 -59.632 -12.628 2.323 1.00 0.00 H new ATOM 0 H3' C B 219 -58.425 -11.729 5.040 1.00 0.00 H new ATOM 0 H2' C B 219 -56.204 -12.746 4.392 1.00 0.00 H new ATOM 0 HO2' C B 219 -57.851 -14.469 3.524 1.00 0.00 H new ATOM 0 HO3' C B 219 -58.578 -13.978 5.433 1.00 0.00 H new ATOM 0 H1' C B 219 -56.260 -11.750 1.890 1.00 0.00 H new ATOM 0 H41 C B 219 -54.256 -6.771 5.618 1.00 0.00 H new ATOM 0 H42 C B 219 -52.851 -7.314 4.694 1.00 0.00 H new ATOM 0 H5 C B 219 -56.396 -7.833 5.516 1.00 0.00 H new ATOM 0 H6 C B 219 -57.684 -9.644 4.530 1.00 0.00 H new TER 1497 C B 219 HETATM 1498 ZN ZN A 128 -51.220 11.589 7.352 1.00 0.00 ZN HETATM 1499 ZN ZN A 149 -54.180 29.149 3.343 1.00 0.00 ZN