USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=29 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+ -127:sc= -2.38! (180deg=-7.25!) USER MOD Set 1.2: B 212 A O2' : rot -4:sc= -0.972 USER MOD Set 2.1: A 46 MET CE :methyl -123:sc= -1.35 (180deg=-0.379) USER MOD Set 2.2: A 47 LYS NZ :NH3+ -116:sc= -1.58 (180deg=-2.76!) USER MOD Set 3.1: A 17 ASN : amide:sc= -1.62! C(o=-1.6!,f=-6.4!) USER MOD Set 3.2: A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 1 MET N :NH3+ 145:sc= 0.678 (180deg=-0.324) USER MOD Set 4.2: A 5 ASN :FLIP amide:sc= -0.659 F(o=-6.1!,f=0.02) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc=-0.00929 X(o=-0.0093,f=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.219 X(o=-0.22,f=-0.17) USER MOD Single : A 9 GLN : amide:sc= -4.34! C(o=-4.3!,f=-6.9!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.774 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN :FLIP amide:sc= -4.93! C(o=-7!,f=-4.9!) USER MOD Single : A 33 LYS NZ :NH3+ -149:sc= 0.636 (180deg=0.152) 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=-12!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.00963 USER MOD Single : A 53 GLN : amide:sc= -0.118 K(o=-0.12,f=-1.9!) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : B 201 CG1 O2' : rot 17:sc= -1.82 USER MOD Single : B 202 G O2' : rot -9:sc= -0.175 USER MOD Single : B 203 C O2' : rot 7:sc= -0.715 USER MOD Single : B 204 G O2' : rot -149:sc= -1.71! USER MOD Single : B 205 A O2' : rot 20:sc= -1.7 USER MOD Single : B 206 C O2' : rot -68:sc= 1.31 USER MOD Single : B 207 U O2' : rot -11:sc= 0.692 USER MOD Single : B 208 G O2' : rot 99:sc= 1.02 USER MOD Single : B 209 G O2' : rot -58:sc= 0.854 USER MOD Single : B 210 U O2' : rot 2:sc= -0.448 USER MOD Single : B 211 G O2' : rot 95:sc= -0.829! USER MOD Single : B 213 G O2' : rot -76:sc= 0.0754 USER MOD Single : B 214 U O2' : rot -77:sc= 1.45 USER MOD Single : B 215 A O2' : rot -23:sc= 0.701 USER MOD Single : B 216 C O2' : rot 18:sc= -0.491 USER MOD Single : B 217 G O2' : rot -2:sc= -0.141 USER MOD Single : B 218 C O2' : rot 3:sc= -0.938 USER MOD Single : B 219 C O2' : rot -25:sc= 0.482 USER MOD Single : B 219 C O3' : rot 180:sc= 0.341 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -32.635 10.392 12.945 1.00 0.00 N ATOM 2 CA MET A 1 -32.193 11.044 11.725 1.00 0.00 C ATOM 3 C MET A 1 -31.868 10.015 10.639 1.00 0.00 C ATOM 4 O MET A 1 -31.843 8.814 10.905 1.00 0.00 O ATOM 5 CB MET A 1 -30.951 11.888 12.017 1.00 0.00 C ATOM 6 CG MET A 1 -31.326 13.351 12.259 1.00 0.00 C ATOM 7 SD MET A 1 -29.854 14.320 12.542 1.00 0.00 S ATOM 8 CE MET A 1 -30.462 15.942 12.107 1.00 0.00 C ATOM 0 H1 MET A 1 -32.297 10.930 13.768 1.00 0.00 H new ATOM 0 H2 MET A 1 -33.674 10.352 12.960 1.00 0.00 H new ATOM 0 H3 MET A 1 -32.251 9.426 12.981 1.00 0.00 H new ATOM 0 HA MET A 1 -33.000 11.682 11.365 1.00 0.00 H new ATOM 0 HB2 MET A 1 -30.435 11.492 12.892 1.00 0.00 H new ATOM 0 HB3 MET A 1 -30.256 11.821 11.180 1.00 0.00 H new ATOM 0 HG2 MET A 1 -31.869 13.743 11.399 1.00 0.00 H new ATOM 0 HG3 MET A 1 -31.992 13.427 13.118 1.00 0.00 H new ATOM 0 HE1 MET A 1 -29.664 16.674 12.228 1.00 0.00 H new ATOM 0 HE2 MET A 1 -30.797 15.939 11.070 1.00 0.00 H new ATOM 0 HE3 MET A 1 -31.296 16.204 12.757 1.00 0.00 H new ATOM 18 N GLN A 2 -31.625 10.523 9.440 1.00 0.00 N ATOM 19 CA GLN A 2 -31.302 9.663 8.315 1.00 0.00 C ATOM 20 C GLN A 2 -32.544 8.892 7.862 1.00 0.00 C ATOM 21 O GLN A 2 -33.588 8.956 8.510 1.00 0.00 O ATOM 22 CB GLN A 2 -30.161 8.707 8.664 1.00 0.00 C ATOM 23 CG GLN A 2 -29.106 8.682 7.555 1.00 0.00 C ATOM 24 CD GLN A 2 -27.901 7.832 7.963 1.00 0.00 C ATOM 25 OE1 GLN A 2 -28.022 6.676 8.335 1.00 0.00 O ATOM 26 NE2 GLN A 2 -26.736 8.467 7.872 1.00 0.00 N ATOM 0 H GLN A 2 -31.645 11.519 9.223 1.00 0.00 H new ATOM 0 HA GLN A 2 -30.966 10.290 7.489 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -29.700 9.014 9.603 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -30.557 7.703 8.816 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -29.544 8.283 6.640 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -28.780 9.699 7.335 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -26.707 9.435 7.553 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -25.872 7.986 8.121 1.00 0.00 H new ATOM 35 N LYS A 3 -32.390 8.182 6.754 1.00 0.00 N ATOM 36 CA LYS A 3 -33.485 7.399 6.208 1.00 0.00 C ATOM 37 C LYS A 3 -33.968 6.402 7.263 1.00 0.00 C ATOM 38 O LYS A 3 -35.166 6.137 7.371 1.00 0.00 O ATOM 39 CB LYS A 3 -33.072 6.746 4.888 1.00 0.00 C ATOM 40 CG LYS A 3 -32.721 7.804 3.840 1.00 0.00 C ATOM 41 CD LYS A 3 -33.968 8.573 3.399 1.00 0.00 C ATOM 42 CE LYS A 3 -33.935 10.013 3.914 1.00 0.00 C ATOM 43 NZ LYS A 3 -33.284 10.902 2.926 1.00 0.00 N ATOM 0 H LYS A 3 -31.523 8.133 6.219 1.00 0.00 H new ATOM 0 HA LYS A 3 -34.330 8.043 5.966 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -32.214 6.094 5.053 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -33.883 6.118 4.519 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -31.987 8.498 4.250 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -32.259 7.326 2.976 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -34.033 8.574 2.311 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -34.860 8.070 3.772 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -34.950 10.359 4.110 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -33.396 10.055 4.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -33.270 11.876 3.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -32.309 10.581 2.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -33.815 10.875 2.032 1.00 0.00 H new ATOM 57 N GLY A 4 -33.014 5.875 8.015 1.00 0.00 N ATOM 58 CA GLY A 4 -33.327 4.912 9.057 1.00 0.00 C ATOM 59 C GLY A 4 -34.285 5.512 10.088 1.00 0.00 C ATOM 60 O GLY A 4 -34.927 4.783 10.843 1.00 0.00 O ATOM 0 H GLY A 4 -32.023 6.097 7.924 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -33.775 4.023 8.613 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -32.409 4.593 9.551 1.00 0.00 H new ATOM 64 N ASN A 5 -34.352 6.836 10.086 1.00 0.00 N ATOM 65 CA ASN A 5 -35.222 7.542 11.011 1.00 0.00 C ATOM 66 C ASN A 5 -36.664 7.071 10.812 1.00 0.00 C ATOM 67 O ASN A 5 -37.424 6.966 11.772 1.00 0.00 O ATOM 68 CB ASN A 5 -35.178 9.051 10.764 1.00 0.00 C ATOM 69 CG ASN A 5 -36.179 9.782 11.661 1.00 0.00 C ATOM 70 OD1 ASN A 5 -35.623 10.399 12.701 1.00 0.00 O flip ATOM 71 ND2 ASN A 5 -37.376 9.787 11.426 1.00 0.00 N flip ATOM 0 H ASN A 5 -33.818 7.438 9.459 1.00 0.00 H new ATOM 0 HA ASN A 5 -34.878 7.332 12.024 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -34.172 9.425 10.955 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -35.402 9.259 9.718 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -37.738 9.293 10.610 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -38.015 10.285 12.045 1.00 0.00 H new ATOM 78 N PHE A 6 -36.995 6.801 9.558 1.00 0.00 N ATOM 79 CA PHE A 6 -38.332 6.343 9.219 1.00 0.00 C ATOM 80 C PHE A 6 -38.656 5.025 9.926 1.00 0.00 C ATOM 81 O PHE A 6 -39.812 4.607 9.968 1.00 0.00 O ATOM 82 CB PHE A 6 -38.357 6.116 7.706 1.00 0.00 C ATOM 83 CG PHE A 6 -39.678 5.545 7.186 1.00 0.00 C ATOM 84 CD1 PHE A 6 -40.820 5.707 7.906 1.00 0.00 C ATOM 85 CD2 PHE A 6 -39.710 4.876 6.002 1.00 0.00 C ATOM 86 CE1 PHE A 6 -42.046 5.178 7.422 1.00 0.00 C ATOM 87 CE2 PHE A 6 -40.935 4.347 5.518 1.00 0.00 C ATOM 88 CZ PHE A 6 -42.078 4.509 6.238 1.00 0.00 C ATOM 0 H PHE A 6 -36.361 6.891 8.764 1.00 0.00 H new ATOM 0 HA PHE A 6 -39.069 7.083 9.532 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -38.159 7.063 7.203 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -37.548 5.437 7.437 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -40.795 6.238 8.846 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -38.803 4.747 5.430 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -42.953 5.307 7.994 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -40.960 3.816 4.578 1.00 0.00 H new ATOM 0 HZ PHE A 6 -43.010 4.107 5.870 1.00 0.00 H new ATOM 98 N ARG A 7 -37.614 4.409 10.465 1.00 0.00 N ATOM 99 CA ARG A 7 -37.774 3.147 11.168 1.00 0.00 C ATOM 100 C ARG A 7 -38.693 3.326 12.378 1.00 0.00 C ATOM 101 O ARG A 7 -39.152 2.346 12.964 1.00 0.00 O ATOM 102 CB ARG A 7 -36.423 2.605 11.639 1.00 0.00 C ATOM 103 CG ARG A 7 -36.537 1.136 12.056 1.00 0.00 C ATOM 104 CD ARG A 7 -36.164 0.208 10.899 1.00 0.00 C ATOM 105 NE ARG A 7 -34.905 -0.508 11.210 1.00 0.00 N ATOM 106 CZ ARG A 7 -34.378 -1.469 10.440 1.00 0.00 C ATOM 107 NH1 ARG A 7 -34.996 -1.837 9.309 1.00 0.00 N ATOM 108 NH2 ARG A 7 -33.233 -2.064 10.800 1.00 0.00 N ATOM 0 H ARG A 7 -36.657 4.760 10.429 1.00 0.00 H new ATOM 0 HA ARG A 7 -38.217 2.434 10.473 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -35.689 2.704 10.840 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -36.062 3.198 12.479 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -35.883 0.944 12.907 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -37.555 0.925 12.383 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -36.966 -0.509 10.724 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -36.047 0.785 9.982 1.00 0.00 H new ATOM 0 HE ARG A 7 -34.408 -0.253 12.064 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -35.868 -1.385 9.034 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -34.594 -2.569 8.723 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -32.762 -1.785 11.661 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -32.832 -2.796 10.213 1.00 0.00 H new ATOM 122 N ASN A 8 -38.935 4.584 12.717 1.00 0.00 N ATOM 123 CA ASN A 8 -39.792 4.904 13.846 1.00 0.00 C ATOM 124 C ASN A 8 -41.194 4.349 13.591 1.00 0.00 C ATOM 125 O ASN A 8 -42.008 4.262 14.509 1.00 0.00 O ATOM 126 CB ASN A 8 -39.909 6.417 14.037 1.00 0.00 C ATOM 127 CG ASN A 8 -40.376 6.757 15.454 1.00 0.00 C ATOM 128 OD1 ASN A 8 -39.592 7.066 16.337 1.00 0.00 O ATOM 129 ND2 ASN A 8 -41.693 6.683 15.621 1.00 0.00 N ATOM 0 H ASN A 8 -38.552 5.394 12.229 1.00 0.00 H new ATOM 0 HA ASN A 8 -39.352 4.461 14.739 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -38.944 6.887 13.846 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -40.612 6.825 13.311 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -42.104 6.891 16.531 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -42.292 6.418 14.839 1.00 0.00 H new ATOM 136 N GLN A 9 -41.434 3.990 12.338 1.00 0.00 N ATOM 137 CA GLN A 9 -42.724 3.446 11.950 1.00 0.00 C ATOM 138 C GLN A 9 -43.067 2.226 12.809 1.00 0.00 C ATOM 139 O GLN A 9 -44.240 1.922 13.021 1.00 0.00 O ATOM 140 CB GLN A 9 -42.745 3.091 10.462 1.00 0.00 C ATOM 141 CG GLN A 9 -44.115 2.551 10.045 1.00 0.00 C ATOM 142 CD GLN A 9 -44.627 3.264 8.792 1.00 0.00 C ATOM 143 OE1 GLN A 9 -43.950 3.361 7.782 1.00 0.00 O ATOM 144 NE2 GLN A 9 -45.857 3.755 8.913 1.00 0.00 N ATOM 0 H GLN A 9 -40.757 4.065 11.579 1.00 0.00 H new ATOM 0 HA GLN A 9 -43.483 4.210 12.119 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -42.503 3.974 9.871 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -41.977 2.346 10.251 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -44.045 1.480 9.855 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -44.826 2.685 10.860 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -46.369 3.638 9.788 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -46.288 4.248 8.131 1.00 0.00 H new ATOM 153 N ARG A 10 -42.022 1.562 13.279 1.00 0.00 N ATOM 154 CA ARG A 10 -42.197 0.383 14.110 1.00 0.00 C ATOM 155 C ARG A 10 -43.072 0.712 15.321 1.00 0.00 C ATOM 156 O ARG A 10 -43.717 -0.172 15.884 1.00 0.00 O ATOM 157 CB ARG A 10 -40.849 -0.155 14.594 1.00 0.00 C ATOM 158 CG ARG A 10 -40.462 -1.427 13.837 1.00 0.00 C ATOM 159 CD ARG A 10 -39.917 -2.490 14.793 1.00 0.00 C ATOM 160 NE ARG A 10 -41.024 -3.089 15.570 1.00 0.00 N ATOM 161 CZ ARG A 10 -41.806 -4.080 15.120 1.00 0.00 C ATOM 162 NH1 ARG A 10 -41.607 -4.590 13.897 1.00 0.00 N ATOM 163 NH2 ARG A 10 -42.789 -4.563 15.895 1.00 0.00 N ATOM 0 H ARG A 10 -41.051 1.818 13.100 1.00 0.00 H new ATOM 0 HA ARG A 10 -42.683 -0.381 13.503 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -40.079 0.604 14.454 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -40.900 -0.365 15.662 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -41.331 -1.819 13.309 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -39.711 -1.191 13.083 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -39.397 -3.265 14.230 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -39.188 -2.043 15.469 1.00 0.00 H new ATOM 0 HE ARG A 10 -41.203 -2.725 16.506 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -40.860 -4.224 13.307 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -42.203 -5.344 13.556 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -42.941 -4.176 16.826 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -43.384 -5.317 15.553 1.00 0.00 H new ATOM 177 N LYS A 11 -43.067 1.986 15.685 1.00 0.00 N ATOM 178 CA LYS A 11 -43.852 2.442 16.820 1.00 0.00 C ATOM 179 C LYS A 11 -44.677 3.662 16.405 1.00 0.00 C ATOM 180 O LYS A 11 -44.798 4.622 17.164 1.00 0.00 O ATOM 181 CB LYS A 11 -42.950 2.693 18.030 1.00 0.00 C ATOM 182 CG LYS A 11 -43.349 1.798 19.205 1.00 0.00 C ATOM 183 CD LYS A 11 -42.312 1.875 20.329 1.00 0.00 C ATOM 184 CE LYS A 11 -42.991 1.907 21.699 1.00 0.00 C ATOM 185 NZ LYS A 11 -42.341 0.948 22.621 1.00 0.00 N ATOM 0 H LYS A 11 -42.532 2.716 15.215 1.00 0.00 H new ATOM 0 HA LYS A 11 -44.556 1.670 17.131 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -41.911 2.503 17.760 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -43.016 3.740 18.327 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -44.325 2.102 19.584 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -43.446 0.767 18.865 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -41.643 1.017 20.271 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -41.698 2.767 20.202 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -42.938 2.913 22.115 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -44.048 1.661 21.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -42.814 0.982 23.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -42.414 -0.013 22.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -41.339 1.201 22.735 1.00 0.00 H new ATOM 199 N THR A 12 -45.225 3.584 15.200 1.00 0.00 N ATOM 200 CA THR A 12 -46.035 4.670 14.675 1.00 0.00 C ATOM 201 C THR A 12 -45.143 5.768 14.094 1.00 0.00 C ATOM 202 O THR A 12 -44.279 6.304 14.787 1.00 0.00 O ATOM 203 CB THR A 12 -46.951 5.162 15.798 1.00 0.00 C ATOM 204 OG1 THR A 12 -47.344 3.969 16.473 1.00 0.00 O ATOM 205 CG2 THR A 12 -48.265 5.742 15.270 1.00 0.00 C ATOM 0 H THR A 12 -45.124 2.786 14.573 1.00 0.00 H new ATOM 0 HA THR A 12 -46.661 4.333 13.849 1.00 0.00 H new ATOM 0 HB THR A 12 -46.431 5.918 16.386 1.00 0.00 H new ATOM 0 HG1 THR A 12 -47.939 4.196 17.218 1.00 0.00 H new ATOM 0 HG21 THR A 12 -48.878 6.076 16.107 1.00 0.00 H new ATOM 0 HG22 THR A 12 -48.053 6.587 14.616 1.00 0.00 H new ATOM 0 HG23 THR A 12 -48.802 4.976 14.710 1.00 0.00 H new ATOM 213 N VAL A 13 -45.383 6.071 12.827 1.00 0.00 N ATOM 214 CA VAL A 13 -44.613 7.097 12.144 1.00 0.00 C ATOM 215 C VAL A 13 -45.306 8.450 12.317 1.00 0.00 C ATOM 216 O VAL A 13 -46.306 8.553 13.024 1.00 0.00 O ATOM 217 CB VAL A 13 -44.413 6.711 10.677 1.00 0.00 C ATOM 218 CG1 VAL A 13 -45.648 7.061 9.844 1.00 0.00 C ATOM 219 CG2 VAL A 13 -43.159 7.373 10.102 1.00 0.00 C ATOM 0 H VAL A 13 -46.100 5.624 12.255 1.00 0.00 H new ATOM 0 HA VAL A 13 -43.619 7.183 12.582 1.00 0.00 H new ATOM 0 HB VAL A 13 -44.273 5.631 10.631 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -45.479 6.776 8.806 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -46.513 6.523 10.232 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -45.833 8.134 9.901 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -43.040 7.082 9.058 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -43.257 8.457 10.168 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -42.285 7.052 10.670 1.00 0.00 H new ATOM 229 N LYS A 14 -44.746 9.454 11.658 1.00 0.00 N ATOM 230 CA LYS A 14 -45.297 10.796 11.730 1.00 0.00 C ATOM 231 C LYS A 14 -45.524 11.326 10.313 1.00 0.00 C ATOM 232 O LYS A 14 -44.572 11.526 9.561 1.00 0.00 O ATOM 233 CB LYS A 14 -44.406 11.697 12.588 1.00 0.00 C ATOM 234 CG LYS A 14 -45.159 12.952 13.032 1.00 0.00 C ATOM 235 CD LYS A 14 -44.554 13.530 14.312 1.00 0.00 C ATOM 236 CE LYS A 14 -43.728 14.783 14.011 1.00 0.00 C ATOM 237 NZ LYS A 14 -44.615 15.944 13.776 1.00 0.00 N ATOM 0 H LYS A 14 -43.916 9.365 11.072 1.00 0.00 H new ATOM 0 HA LYS A 14 -46.268 10.783 12.226 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -44.062 11.146 13.464 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -43.519 11.982 12.022 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -45.126 13.700 12.240 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -46.209 12.711 13.198 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -45.349 13.775 15.016 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -43.924 12.781 14.791 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -43.058 14.993 14.844 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -43.103 14.612 13.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -44.039 16.786 13.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -45.237 15.747 12.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -45.193 16.116 14.623 1.00 0.00 H new ATOM 251 N CYS A 15 -46.792 11.540 9.991 1.00 0.00 N ATOM 252 CA CYS A 15 -47.156 12.043 8.677 1.00 0.00 C ATOM 253 C CYS A 15 -46.887 13.548 8.648 1.00 0.00 C ATOM 254 O CYS A 15 -47.553 14.314 9.344 1.00 0.00 O ATOM 255 CB CYS A 15 -48.609 11.715 8.330 1.00 0.00 C ATOM 256 SG CYS A 15 -48.928 12.081 6.565 1.00 0.00 S ATOM 0 H CYS A 15 -47.580 11.374 10.617 1.00 0.00 H new ATOM 0 HA CYS A 15 -46.550 11.553 7.915 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -48.812 10.664 8.535 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -49.282 12.298 8.958 1.00 0.00 H new ATOM 261 N PHE A 16 -45.911 13.928 7.837 1.00 0.00 N ATOM 262 CA PHE A 16 -45.546 15.328 7.709 1.00 0.00 C ATOM 263 C PHE A 16 -46.473 16.048 6.726 1.00 0.00 C ATOM 264 O PHE A 16 -46.230 17.200 6.369 1.00 0.00 O ATOM 265 CB PHE A 16 -44.116 15.370 7.168 1.00 0.00 C ATOM 266 CG PHE A 16 -44.028 15.623 5.661 1.00 0.00 C ATOM 267 CD1 PHE A 16 -44.142 14.585 4.789 1.00 0.00 C ATOM 268 CD2 PHE A 16 -43.836 16.886 5.194 1.00 0.00 C ATOM 269 CE1 PHE A 16 -44.060 14.821 3.392 1.00 0.00 C ATOM 270 CE2 PHE A 16 -43.755 17.121 3.796 1.00 0.00 C ATOM 271 CZ PHE A 16 -43.868 16.084 2.925 1.00 0.00 C ATOM 0 H PHE A 16 -45.361 13.290 7.262 1.00 0.00 H new ATOM 0 HA PHE A 16 -45.629 15.825 8.676 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -43.564 16.151 7.690 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -43.624 14.425 7.397 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -44.295 13.582 5.160 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -43.745 17.710 5.886 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -44.150 13.997 2.699 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -43.604 18.124 3.425 1.00 0.00 H new ATOM 0 HZ PHE A 16 -43.805 16.263 1.862 1.00 0.00 H new ATOM 281 N ASN A 17 -47.514 15.339 6.317 1.00 0.00 N ATOM 282 CA ASN A 17 -48.478 15.896 5.382 1.00 0.00 C ATOM 283 C ASN A 17 -49.755 16.271 6.136 1.00 0.00 C ATOM 284 O ASN A 17 -50.183 17.423 6.105 1.00 0.00 O ATOM 285 CB ASN A 17 -48.848 14.877 4.302 1.00 0.00 C ATOM 286 CG ASN A 17 -50.193 15.224 3.660 1.00 0.00 C ATOM 287 OD1 ASN A 17 -50.465 16.359 3.303 1.00 0.00 O ATOM 288 ND2 ASN A 17 -51.016 14.188 3.532 1.00 0.00 N ATOM 0 H ASN A 17 -47.712 14.384 6.615 1.00 0.00 H new ATOM 0 HA ASN A 17 -48.028 16.771 4.914 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -48.071 14.853 3.538 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -48.896 13.880 4.739 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -51.937 14.317 3.114 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -50.726 13.264 3.852 1.00 0.00 H new ATOM 295 N CYS A 18 -50.328 15.276 6.798 1.00 0.00 N ATOM 296 CA CYS A 18 -51.548 15.487 7.558 1.00 0.00 C ATOM 297 C CYS A 18 -51.162 15.815 9.002 1.00 0.00 C ATOM 298 O CYS A 18 -51.845 16.590 9.670 1.00 0.00 O ATOM 299 CB CYS A 18 -52.481 14.277 7.478 1.00 0.00 C ATOM 300 SG CYS A 18 -51.753 12.862 8.382 1.00 0.00 S ATOM 0 H CYS A 18 -49.969 14.321 6.824 1.00 0.00 H new ATOM 0 HA CYS A 18 -52.105 16.321 7.132 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -53.453 14.529 7.902 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -52.649 14.005 6.436 1.00 0.00 H new ATOM 305 N GLY A 19 -50.069 15.207 9.442 1.00 0.00 N ATOM 306 CA GLY A 19 -49.585 15.425 10.795 1.00 0.00 C ATOM 307 C GLY A 19 -49.806 14.185 11.662 1.00 0.00 C ATOM 308 O GLY A 19 -48.971 13.854 12.503 1.00 0.00 O ATOM 0 H GLY A 19 -49.506 14.564 8.886 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -48.523 15.671 10.770 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -50.100 16.278 11.236 1.00 0.00 H new ATOM 312 N LYS A 20 -50.935 13.531 11.429 1.00 0.00 N ATOM 313 CA LYS A 20 -51.276 12.335 12.179 1.00 0.00 C ATOM 314 C LYS A 20 -50.062 11.405 12.229 1.00 0.00 C ATOM 315 O LYS A 20 -49.057 11.655 11.563 1.00 0.00 O ATOM 316 CB LYS A 20 -52.530 11.677 11.599 1.00 0.00 C ATOM 317 CG LYS A 20 -53.694 11.748 12.588 1.00 0.00 C ATOM 318 CD LYS A 20 -54.684 10.606 12.353 1.00 0.00 C ATOM 319 CE LYS A 20 -54.739 9.670 13.562 1.00 0.00 C ATOM 320 NZ LYS A 20 -56.140 9.302 13.870 1.00 0.00 N ATOM 0 H LYS A 20 -51.625 13.808 10.731 1.00 0.00 H new ATOM 0 HA LYS A 20 -51.525 12.591 13.209 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -52.808 12.173 10.669 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -52.319 10.636 11.355 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -53.313 11.699 13.608 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -54.206 12.705 12.485 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -55.676 11.014 12.159 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -54.392 10.044 11.466 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -54.157 8.771 13.360 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -54.286 10.156 14.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -56.159 8.667 14.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -56.686 10.161 14.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -56.560 8.819 13.050 1.00 0.00 H new ATOM 334 N GLU A 21 -50.194 10.352 13.022 1.00 0.00 N ATOM 335 CA GLU A 21 -49.119 9.385 13.166 1.00 0.00 C ATOM 336 C GLU A 21 -49.599 7.993 12.749 1.00 0.00 C ATOM 337 O GLU A 21 -50.801 7.737 12.696 1.00 0.00 O ATOM 338 CB GLU A 21 -48.581 9.373 14.598 1.00 0.00 C ATOM 339 CG GLU A 21 -49.677 8.988 15.593 1.00 0.00 C ATOM 340 CD GLU A 21 -49.804 10.037 16.701 1.00 0.00 C ATOM 341 OE1 GLU A 21 -49.769 11.236 16.354 1.00 0.00 O ATOM 342 OE2 GLU A 21 -49.933 9.613 17.871 1.00 0.00 O ATOM 0 H GLU A 21 -51.029 10.147 13.571 1.00 0.00 H new ATOM 0 HA GLU A 21 -48.301 9.679 12.508 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -47.753 8.668 14.673 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -48.186 10.357 14.850 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -50.629 8.888 15.071 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -49.450 8.016 16.031 1.00 0.00 H new ATOM 349 N GLY A 22 -48.635 7.130 12.464 1.00 0.00 N ATOM 350 CA GLY A 22 -48.944 5.771 12.055 1.00 0.00 C ATOM 351 C GLY A 22 -48.537 5.532 10.599 1.00 0.00 C ATOM 352 O GLY A 22 -48.161 4.420 10.231 1.00 0.00 O ATOM 0 H GLY A 22 -47.639 7.346 12.508 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -48.424 5.065 12.703 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -50.012 5.585 12.173 1.00 0.00 H new ATOM 356 N HIS A 23 -48.627 6.593 9.811 1.00 0.00 N ATOM 357 CA HIS A 23 -48.273 6.512 8.404 1.00 0.00 C ATOM 358 C HIS A 23 -47.581 7.807 7.973 1.00 0.00 C ATOM 359 O HIS A 23 -47.490 8.754 8.752 1.00 0.00 O ATOM 360 CB HIS A 23 -49.501 6.185 7.553 1.00 0.00 C ATOM 361 CG HIS A 23 -50.475 7.331 7.412 1.00 0.00 C ATOM 362 ND1 HIS A 23 -51.700 7.356 8.054 1.00 0.00 N ATOM 363 CD2 HIS A 23 -50.389 8.489 6.699 1.00 0.00 C ATOM 364 CE1 HIS A 23 -52.316 8.484 7.733 1.00 0.00 C ATOM 365 NE2 HIS A 23 -51.502 9.186 6.893 1.00 0.00 N ATOM 0 H HIS A 23 -48.940 7.513 10.120 1.00 0.00 H new ATOM 0 HA HIS A 23 -47.568 5.695 8.250 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -49.171 5.878 6.560 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -50.019 5.334 7.994 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -52.066 6.630 8.669 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -49.556 8.789 6.081 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -53.292 8.794 8.076 1.00 0.00 H new ATOM 373 N ILE A 24 -47.112 7.805 6.735 1.00 0.00 N ATOM 374 CA ILE A 24 -46.430 8.968 6.191 1.00 0.00 C ATOM 375 C ILE A 24 -47.215 9.497 4.989 1.00 0.00 C ATOM 376 O ILE A 24 -48.078 8.804 4.453 1.00 0.00 O ATOM 377 CB ILE A 24 -44.971 8.636 5.875 1.00 0.00 C ATOM 378 CG1 ILE A 24 -44.861 7.308 5.121 1.00 0.00 C ATOM 379 CG2 ILE A 24 -44.119 8.644 7.147 1.00 0.00 C ATOM 380 CD1 ILE A 24 -43.398 6.933 4.883 1.00 0.00 C ATOM 0 H ILE A 24 -47.190 7.017 6.092 1.00 0.00 H new ATOM 0 HA ILE A 24 -46.396 9.769 6.929 1.00 0.00 H new ATOM 0 HB ILE A 24 -44.579 9.413 5.219 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -45.354 6.520 5.691 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -45.381 7.384 4.166 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -43.086 8.405 6.894 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -44.161 9.631 7.607 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -44.503 7.901 7.847 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -43.348 5.986 4.346 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -42.914 7.711 4.293 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -42.887 6.834 5.841 1.00 0.00 H new ATOM 392 N ALA A 25 -46.886 10.720 4.601 1.00 0.00 N ATOM 393 CA ALA A 25 -47.549 11.350 3.471 1.00 0.00 C ATOM 394 C ALA A 25 -47.454 10.431 2.252 1.00 0.00 C ATOM 395 O ALA A 25 -48.406 10.318 1.480 1.00 0.00 O ATOM 396 CB ALA A 25 -46.927 12.724 3.215 1.00 0.00 C ATOM 0 H ALA A 25 -46.169 11.292 5.048 1.00 0.00 H new ATOM 0 HA ALA A 25 -48.606 11.506 3.685 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -47.424 13.196 2.368 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -47.047 13.348 4.100 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -45.866 12.608 2.994 1.00 0.00 H new ATOM 402 N LYS A 26 -46.298 9.798 2.117 1.00 0.00 N ATOM 403 CA LYS A 26 -46.066 8.893 1.004 1.00 0.00 C ATOM 404 C LYS A 26 -47.323 8.054 0.765 1.00 0.00 C ATOM 405 O LYS A 26 -47.574 7.610 -0.354 1.00 0.00 O ATOM 406 CB LYS A 26 -44.808 8.058 1.245 1.00 0.00 C ATOM 407 CG LYS A 26 -45.160 6.589 1.484 1.00 0.00 C ATOM 408 CD LYS A 26 -43.906 5.714 1.469 1.00 0.00 C ATOM 409 CE LYS A 26 -42.648 6.553 1.710 1.00 0.00 C ATOM 410 NZ LYS A 26 -41.484 5.679 1.973 1.00 0.00 N ATOM 0 H LYS A 26 -45.512 9.894 2.760 1.00 0.00 H new ATOM 0 HA LYS A 26 -45.877 9.455 0.089 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -44.143 8.141 0.386 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -44.267 8.450 2.106 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -45.669 6.485 2.442 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -45.854 6.248 0.716 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -43.986 4.944 2.236 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -43.827 5.201 0.510 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -42.450 7.180 0.841 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -42.806 7.222 2.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -41.026 5.968 2.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -41.802 4.692 2.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -40.804 5.761 1.190 1.00 0.00 H new ATOM 424 N ASN A 27 -48.081 7.862 1.835 1.00 0.00 N ATOM 425 CA ASN A 27 -49.306 7.085 1.755 1.00 0.00 C ATOM 426 C ASN A 27 -50.294 7.589 2.809 1.00 0.00 C ATOM 427 O ASN A 27 -50.742 6.825 3.662 1.00 0.00 O ATOM 428 CB ASN A 27 -49.036 5.604 2.030 1.00 0.00 C ATOM 429 CG ASN A 27 -47.743 5.420 2.826 1.00 0.00 C ATOM 430 OD1 ASN A 27 -47.648 6.207 3.894 1.00 0.00 O flip ATOM 431 ND2 ASN A 27 -46.887 4.617 2.493 1.00 0.00 N flip ATOM 0 H ASN A 27 -47.870 8.231 2.762 1.00 0.00 H new ATOM 0 HA ASN A 27 -49.713 7.198 0.750 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -49.872 5.175 2.583 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -48.967 5.062 1.087 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -47.023 4.043 1.661 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -46.036 4.520 3.047 1.00 0.00 H new ATOM 438 N CYS A 28 -50.606 8.874 2.715 1.00 0.00 N ATOM 439 CA CYS A 28 -51.533 9.489 3.649 1.00 0.00 C ATOM 440 C CYS A 28 -52.955 9.087 3.250 1.00 0.00 C ATOM 441 O CYS A 28 -53.485 9.577 2.255 1.00 0.00 O ATOM 442 CB CYS A 28 -51.362 11.009 3.698 1.00 0.00 C ATOM 443 SG CYS A 28 -52.503 11.728 4.935 1.00 0.00 S ATOM 0 H CYS A 28 -50.233 9.505 2.006 1.00 0.00 H new ATOM 0 HA CYS A 28 -51.326 9.133 4.658 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -50.332 11.259 3.952 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -51.561 11.437 2.716 1.00 0.00 H new ATOM 448 N ARG A 29 -53.530 8.199 4.049 1.00 0.00 N ATOM 449 CA ARG A 29 -54.880 7.727 3.791 1.00 0.00 C ATOM 450 C ARG A 29 -55.904 8.717 4.349 1.00 0.00 C ATOM 451 O ARG A 29 -57.103 8.437 4.357 1.00 0.00 O ATOM 452 CB ARG A 29 -55.112 6.353 4.423 1.00 0.00 C ATOM 453 CG ARG A 29 -54.993 6.423 5.947 1.00 0.00 C ATOM 454 CD ARG A 29 -55.976 5.461 6.618 1.00 0.00 C ATOM 455 NE ARG A 29 -56.839 6.199 7.567 1.00 0.00 N ATOM 456 CZ ARG A 29 -57.909 5.669 8.177 1.00 0.00 C ATOM 457 NH1 ARG A 29 -58.253 4.396 7.941 1.00 0.00 N ATOM 458 NH2 ARG A 29 -58.633 6.414 9.023 1.00 0.00 N ATOM 0 H ARG A 29 -53.086 7.795 4.874 1.00 0.00 H new ATOM 0 HA ARG A 29 -55.002 7.643 2.711 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -56.100 5.985 4.148 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -54.386 5.641 4.030 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -53.975 6.176 6.248 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -55.187 7.441 6.284 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -56.589 4.969 5.863 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -55.430 4.678 7.144 1.00 0.00 H new ATOM 0 HE ARG A 29 -56.605 7.171 7.770 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -57.701 3.829 7.297 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -59.067 3.993 8.405 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -58.370 7.383 9.202 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -59.447 6.012 9.488 1.00 0.00 H new ATOM 472 N ALA A 30 -55.396 9.853 4.801 1.00 0.00 N ATOM 473 CA ALA A 30 -56.252 10.886 5.359 1.00 0.00 C ATOM 474 C ALA A 30 -57.534 10.984 4.528 1.00 0.00 C ATOM 475 O ALA A 30 -57.541 11.599 3.463 1.00 0.00 O ATOM 476 CB ALA A 30 -55.488 12.211 5.410 1.00 0.00 C ATOM 0 H ALA A 30 -54.402 10.081 4.792 1.00 0.00 H new ATOM 0 HA ALA A 30 -56.539 10.636 6.380 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -56.131 12.986 5.829 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -54.603 12.097 6.036 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -55.186 12.496 4.402 1.00 0.00 H new ATOM 482 N PRO A 31 -58.614 10.352 5.062 1.00 0.00 N ATOM 483 CA PRO A 31 -59.897 10.363 4.381 1.00 0.00 C ATOM 484 C PRO A 31 -60.582 11.724 4.521 1.00 0.00 C ATOM 485 O PRO A 31 -61.648 11.949 3.951 1.00 0.00 O ATOM 486 CB PRO A 31 -60.689 9.233 5.018 1.00 0.00 C ATOM 487 CG PRO A 31 -60.001 8.935 6.340 1.00 0.00 C ATOM 488 CD PRO A 31 -58.642 9.615 6.322 1.00 0.00 C ATOM 0 HA PRO A 31 -59.803 10.211 3.306 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -61.728 9.524 5.175 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -60.699 8.352 4.376 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -60.600 9.302 7.173 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -59.888 7.860 6.478 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -58.522 10.283 7.175 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -57.833 8.886 6.372 1.00 0.00 H new ATOM 496 N ARG A 32 -59.940 12.598 5.283 1.00 0.00 N ATOM 497 CA ARG A 32 -60.473 13.931 5.505 1.00 0.00 C ATOM 498 C ARG A 32 -59.638 14.668 6.554 1.00 0.00 C ATOM 499 O ARG A 32 -59.590 14.260 7.714 1.00 0.00 O ATOM 500 CB ARG A 32 -61.928 13.872 5.971 1.00 0.00 C ATOM 501 CG ARG A 32 -62.887 14.160 4.814 1.00 0.00 C ATOM 502 CD ARG A 32 -64.106 13.237 4.868 1.00 0.00 C ATOM 503 NE ARG A 32 -65.233 13.928 5.536 1.00 0.00 N ATOM 504 CZ ARG A 32 -65.882 14.979 5.019 1.00 0.00 C ATOM 505 NH1 ARG A 32 -65.521 15.469 3.824 1.00 0.00 N ATOM 506 NH2 ARG A 32 -66.893 15.542 5.694 1.00 0.00 N ATOM 0 H ARG A 32 -59.055 12.408 5.754 1.00 0.00 H new ATOM 0 HA ARG A 32 -60.429 14.468 4.557 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -62.140 12.887 6.387 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -62.088 14.597 6.769 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -63.212 15.200 4.857 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -62.368 14.027 3.865 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -64.395 12.943 3.859 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -63.857 12.323 5.408 1.00 0.00 H new ATOM 0 HE ARG A 32 -65.534 13.582 6.447 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -64.752 15.041 3.309 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -66.016 16.270 3.431 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -67.169 15.170 6.603 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -67.387 16.343 5.299 1.00 0.00 H new ATOM 520 N LYS A 33 -59.001 15.742 6.110 1.00 0.00 N ATOM 521 CA LYS A 33 -58.171 16.539 6.997 1.00 0.00 C ATOM 522 C LYS A 33 -57.283 17.465 6.162 1.00 0.00 C ATOM 523 O LYS A 33 -56.930 18.557 6.604 1.00 0.00 O ATOM 524 CB LYS A 33 -57.389 15.638 7.954 1.00 0.00 C ATOM 525 CG LYS A 33 -57.962 15.716 9.372 1.00 0.00 C ATOM 526 CD LYS A 33 -57.430 14.576 10.242 1.00 0.00 C ATOM 527 CE LYS A 33 -58.493 14.101 11.234 1.00 0.00 C ATOM 528 NZ LYS A 33 -59.516 13.282 10.545 1.00 0.00 N ATOM 0 H LYS A 33 -59.043 16.079 5.148 1.00 0.00 H new ATOM 0 HA LYS A 33 -58.791 17.174 7.629 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -57.424 14.608 7.600 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -56.341 15.936 7.965 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -57.700 16.674 9.822 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -59.050 15.670 9.331 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -57.121 13.744 9.609 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -56.545 14.910 10.784 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -58.024 13.517 12.026 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -58.966 14.961 11.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -60.434 13.401 11.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -59.596 13.588 9.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -59.238 12.280 10.576 1.00 0.00 H new ATOM 542 N LYS A 34 -56.950 16.994 4.969 1.00 0.00 N ATOM 543 CA LYS A 34 -56.111 17.767 4.068 1.00 0.00 C ATOM 544 C LYS A 34 -56.491 19.246 4.165 1.00 0.00 C ATOM 545 O LYS A 34 -57.614 19.624 3.838 1.00 0.00 O ATOM 546 CB LYS A 34 -56.190 17.204 2.647 1.00 0.00 C ATOM 547 CG LYS A 34 -55.026 16.250 2.371 1.00 0.00 C ATOM 548 CD LYS A 34 -55.504 15.006 1.620 1.00 0.00 C ATOM 549 CE LYS A 34 -54.352 14.348 0.857 1.00 0.00 C ATOM 550 NZ LYS A 34 -53.981 13.061 1.486 1.00 0.00 N ATOM 0 H LYS A 34 -57.245 16.088 4.606 1.00 0.00 H new ATOM 0 HA LYS A 34 -55.064 17.687 4.361 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -57.136 16.679 2.512 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -56.174 18.022 1.926 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -54.262 16.762 1.785 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -54.562 15.955 3.312 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -55.932 14.293 2.325 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -56.297 15.280 0.924 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -54.643 14.182 -0.180 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -53.490 15.015 0.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -53.198 12.628 0.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -53.683 13.228 2.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -54.801 12.421 1.477 1.00 0.00 H new ATOM 564 N GLY A 35 -55.533 20.041 4.618 1.00 0.00 N ATOM 565 CA GLY A 35 -55.753 21.470 4.762 1.00 0.00 C ATOM 566 C GLY A 35 -54.437 22.242 4.647 1.00 0.00 C ATOM 567 O GLY A 35 -53.375 21.719 4.982 1.00 0.00 O ATOM 0 H GLY A 35 -54.603 19.723 4.890 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -56.448 21.813 3.996 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -56.216 21.675 5.727 1.00 0.00 H new ATOM 571 N CYS A 36 -54.550 23.474 4.172 1.00 0.00 N ATOM 572 CA CYS A 36 -53.382 24.324 4.010 1.00 0.00 C ATOM 573 C CYS A 36 -52.856 24.689 5.398 1.00 0.00 C ATOM 574 O CYS A 36 -53.463 25.492 6.105 1.00 0.00 O ATOM 575 CB CYS A 36 -53.699 25.565 3.174 1.00 0.00 C ATOM 576 SG CYS A 36 -52.176 26.545 2.908 1.00 0.00 S ATOM 0 H CYS A 36 -55.432 23.904 3.894 1.00 0.00 H new ATOM 0 HA CYS A 36 -52.609 23.785 3.462 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -54.123 25.269 2.215 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -54.449 26.173 3.680 1.00 0.00 H new ATOM 581 N TRP A 37 -51.732 24.082 5.749 1.00 0.00 N ATOM 582 CA TRP A 37 -51.116 24.334 7.041 1.00 0.00 C ATOM 583 C TRP A 37 -50.147 25.507 6.882 1.00 0.00 C ATOM 584 O TRP A 37 -49.321 25.755 7.759 1.00 0.00 O ATOM 585 CB TRP A 37 -50.444 23.071 7.584 1.00 0.00 C ATOM 586 CG TRP A 37 -49.748 22.228 6.513 1.00 0.00 C ATOM 587 CD1 TRP A 37 -50.106 21.022 6.051 1.00 0.00 C ATOM 588 CD2 TRP A 37 -48.553 22.579 5.784 1.00 0.00 C ATOM 589 NE1 TRP A 37 -49.232 20.571 5.083 1.00 0.00 N ATOM 590 CE2 TRP A 37 -48.258 21.548 4.916 1.00 0.00 C ATOM 591 CE3 TRP A 37 -47.747 23.729 5.857 1.00 0.00 C ATOM 592 CZ2 TRP A 37 -47.155 21.564 4.053 1.00 0.00 C ATOM 593 CZ3 TRP A 37 -46.648 23.730 4.990 1.00 0.00 C ATOM 594 CH2 TRP A 37 -46.338 22.700 4.109 1.00 0.00 C ATOM 0 H TRP A 37 -51.231 23.416 5.161 1.00 0.00 H new ATOM 0 HA TRP A 37 -51.869 24.603 7.782 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -49.712 23.357 8.339 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -51.195 22.458 8.083 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -50.970 20.472 6.393 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -49.290 19.684 4.582 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -47.959 24.547 6.529 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -46.946 20.745 3.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -45.996 24.591 5.007 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -45.470 22.776 3.470 1.00 0.00 H new ATOM 605 N LYS A 38 -50.280 26.196 5.759 1.00 0.00 N ATOM 606 CA LYS A 38 -49.427 27.337 5.475 1.00 0.00 C ATOM 607 C LYS A 38 -50.193 28.628 5.769 1.00 0.00 C ATOM 608 O LYS A 38 -49.608 29.612 6.220 1.00 0.00 O ATOM 609 CB LYS A 38 -48.882 27.257 4.047 1.00 0.00 C ATOM 610 CG LYS A 38 -48.142 28.541 3.669 1.00 0.00 C ATOM 611 CD LYS A 38 -46.633 28.298 3.583 1.00 0.00 C ATOM 612 CE LYS A 38 -45.869 29.275 4.479 1.00 0.00 C ATOM 613 NZ LYS A 38 -45.299 30.379 3.673 1.00 0.00 N ATOM 0 H LYS A 38 -50.966 25.986 5.034 1.00 0.00 H new ATOM 0 HA LYS A 38 -48.553 27.330 6.126 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -48.208 26.405 3.959 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -49.703 27.088 3.350 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -48.510 28.909 2.711 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -48.348 29.315 4.408 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -46.408 27.274 3.881 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -46.301 28.410 2.551 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -46.537 29.679 5.239 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -45.071 28.749 5.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -44.784 31.033 4.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -44.646 29.990 2.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -46.067 30.891 3.193 1.00 0.00 H new ATOM 627 N CYS A 39 -51.490 28.582 5.503 1.00 0.00 N ATOM 628 CA CYS A 39 -52.342 29.736 5.733 1.00 0.00 C ATOM 629 C CYS A 39 -53.252 29.432 6.925 1.00 0.00 C ATOM 630 O CYS A 39 -53.465 30.288 7.783 1.00 0.00 O ATOM 631 CB CYS A 39 -53.144 30.105 4.484 1.00 0.00 C ATOM 632 SG CYS A 39 -54.236 28.716 4.007 1.00 0.00 S ATOM 0 H CYS A 39 -51.972 27.764 5.130 1.00 0.00 H new ATOM 0 HA CYS A 39 -51.726 30.606 5.960 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -53.740 30.998 4.675 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -52.466 30.344 3.664 1.00 0.00 H new ATOM 637 N GLY A 40 -53.762 28.210 6.942 1.00 0.00 N ATOM 638 CA GLY A 40 -54.643 27.780 8.015 1.00 0.00 C ATOM 639 C GLY A 40 -56.066 27.556 7.499 1.00 0.00 C ATOM 640 O GLY A 40 -57.032 27.703 8.247 1.00 0.00 O ATOM 0 H GLY A 40 -53.582 27.503 6.229 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -54.263 26.858 8.455 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -54.653 28.531 8.805 1.00 0.00 H new ATOM 644 N LYS A 41 -56.151 27.203 6.225 1.00 0.00 N ATOM 645 CA LYS A 41 -57.440 26.957 5.601 1.00 0.00 C ATOM 646 C LYS A 41 -57.486 25.516 5.088 1.00 0.00 C ATOM 647 O LYS A 41 -56.681 25.128 4.243 1.00 0.00 O ATOM 648 CB LYS A 41 -57.720 28.004 4.520 1.00 0.00 C ATOM 649 CG LYS A 41 -58.792 28.993 4.981 1.00 0.00 C ATOM 650 CD LYS A 41 -58.935 30.149 3.988 1.00 0.00 C ATOM 651 CE LYS A 41 -58.403 31.453 4.586 1.00 0.00 C ATOM 652 NZ LYS A 41 -59.501 32.430 4.757 1.00 0.00 N ATOM 0 H LYS A 41 -55.348 27.081 5.608 1.00 0.00 H new ATOM 0 HA LYS A 41 -58.243 27.062 6.330 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -56.802 28.542 4.283 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -58.046 27.509 3.605 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -59.747 28.478 5.085 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -58.532 29.384 5.965 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -58.392 29.916 3.072 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -59.983 30.271 3.714 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -57.933 31.253 5.549 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -57.634 31.871 3.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -59.123 33.309 5.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -59.932 32.633 3.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -60.221 32.035 5.395 1.00 0.00 H new ATOM 666 N GLU A 42 -58.436 24.763 5.621 1.00 0.00 N ATOM 667 CA GLU A 42 -58.599 23.373 5.227 1.00 0.00 C ATOM 668 C GLU A 42 -59.308 23.283 3.876 1.00 0.00 C ATOM 669 O GLU A 42 -59.981 24.225 3.460 1.00 0.00 O ATOM 670 CB GLU A 42 -59.357 22.585 6.299 1.00 0.00 C ATOM 671 CG GLU A 42 -60.806 23.063 6.408 1.00 0.00 C ATOM 672 CD GLU A 42 -61.679 22.014 7.098 1.00 0.00 C ATOM 673 OE1 GLU A 42 -61.359 21.685 8.261 1.00 0.00 O ATOM 674 OE2 GLU A 42 -62.646 21.563 6.446 1.00 0.00 O ATOM 0 H GLU A 42 -59.101 25.088 6.322 1.00 0.00 H new ATOM 0 HA GLU A 42 -57.610 22.926 5.125 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -59.338 21.523 6.056 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -58.859 22.701 7.261 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -60.843 23.997 6.968 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -61.200 23.272 5.413 1.00 0.00 H new ATOM 681 N GLY A 43 -59.134 22.141 3.227 1.00 0.00 N ATOM 682 CA GLY A 43 -59.749 21.916 1.930 1.00 0.00 C ATOM 683 C GLY A 43 -58.714 22.013 0.808 1.00 0.00 C ATOM 684 O GLY A 43 -58.884 21.409 -0.251 1.00 0.00 O ATOM 0 H GLY A 43 -58.576 21.362 3.575 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -60.219 20.933 1.912 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -60.538 22.649 1.766 1.00 0.00 H new ATOM 688 N HIS A 44 -57.666 22.776 1.077 1.00 0.00 N ATOM 689 CA HIS A 44 -56.603 22.959 0.103 1.00 0.00 C ATOM 690 C HIS A 44 -55.245 22.805 0.790 1.00 0.00 C ATOM 691 O HIS A 44 -55.177 22.490 1.977 1.00 0.00 O ATOM 692 CB HIS A 44 -56.754 24.299 -0.619 1.00 0.00 C ATOM 693 CG HIS A 44 -56.205 25.477 0.150 1.00 0.00 C ATOM 694 ND1 HIS A 44 -56.860 26.035 1.234 1.00 0.00 N ATOM 695 CD2 HIS A 44 -55.058 26.196 -0.018 1.00 0.00 C ATOM 696 CE1 HIS A 44 -56.132 27.044 1.689 1.00 0.00 C ATOM 697 NE2 HIS A 44 -55.014 27.142 0.911 1.00 0.00 N ATOM 0 H HIS A 44 -57.530 23.275 1.956 1.00 0.00 H new ATOM 0 HA HIS A 44 -56.671 22.188 -0.665 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -56.248 24.240 -1.583 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -57.810 24.473 -0.824 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -57.752 25.722 1.618 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -54.311 26.024 -0.779 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -56.379 27.678 2.528 1.00 0.00 H new ATOM 705 N GLN A 45 -54.196 23.037 0.015 1.00 0.00 N ATOM 706 CA GLN A 45 -52.843 22.929 0.533 1.00 0.00 C ATOM 707 C GLN A 45 -52.026 24.164 0.148 1.00 0.00 C ATOM 708 O GLN A 45 -52.421 24.923 -0.735 1.00 0.00 O ATOM 709 CB GLN A 45 -52.167 21.648 0.039 1.00 0.00 C ATOM 710 CG GLN A 45 -51.913 21.709 -1.469 1.00 0.00 C ATOM 711 CD GLN A 45 -50.491 21.257 -1.805 1.00 0.00 C ATOM 712 OE1 GLN A 45 -49.530 21.597 -1.135 1.00 0.00 O ATOM 713 NE2 GLN A 45 -50.411 20.474 -2.876 1.00 0.00 N ATOM 0 H GLN A 45 -54.256 23.300 -0.969 1.00 0.00 H new ATOM 0 HA GLN A 45 -52.895 22.877 1.621 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -51.223 21.504 0.565 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -52.795 20.788 0.271 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -52.632 21.075 -1.988 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -52.069 22.727 -1.827 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -51.256 20.228 -3.392 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -49.505 20.119 -3.182 1.00 0.00 H new ATOM 722 N MET A 46 -50.902 24.326 0.830 1.00 0.00 N ATOM 723 CA MET A 46 -50.025 25.456 0.572 1.00 0.00 C ATOM 724 C MET A 46 -49.663 25.538 -0.913 1.00 0.00 C ATOM 725 O MET A 46 -49.790 26.596 -1.529 1.00 0.00 O ATOM 726 CB MET A 46 -48.749 25.314 1.402 1.00 0.00 C ATOM 727 CG MET A 46 -47.753 26.426 1.071 1.00 0.00 C ATOM 728 SD MET A 46 -46.124 25.979 1.649 1.00 0.00 S ATOM 729 CE MET A 46 -45.657 24.805 0.388 1.00 0.00 C ATOM 0 H MET A 46 -50.578 23.693 1.562 1.00 0.00 H new ATOM 0 HA MET A 46 -50.549 26.370 0.852 1.00 0.00 H new ATOM 0 HB2 MET A 46 -48.996 25.346 2.463 1.00 0.00 H new ATOM 0 HB3 MET A 46 -48.292 24.343 1.210 1.00 0.00 H new ATOM 0 HG2 MET A 46 -47.732 26.598 -0.005 1.00 0.00 H new ATOM 0 HG3 MET A 46 -48.070 27.359 1.536 1.00 0.00 H new ATOM 0 HE1 MET A 46 -45.410 23.850 0.853 1.00 0.00 H new ATOM 0 HE2 MET A 46 -46.486 24.667 -0.306 1.00 0.00 H new ATOM 0 HE3 MET A 46 -44.789 25.179 -0.154 1.00 0.00 H new ATOM 739 N LYS A 47 -49.218 24.409 -1.444 1.00 0.00 N ATOM 740 CA LYS A 47 -48.836 24.341 -2.844 1.00 0.00 C ATOM 741 C LYS A 47 -50.000 24.823 -3.711 1.00 0.00 C ATOM 742 O LYS A 47 -49.806 25.196 -4.867 1.00 0.00 O ATOM 743 CB LYS A 47 -48.347 22.935 -3.198 1.00 0.00 C ATOM 744 CG LYS A 47 -47.311 22.981 -4.324 1.00 0.00 C ATOM 745 CD LYS A 47 -45.905 22.709 -3.788 1.00 0.00 C ATOM 746 CE LYS A 47 -45.057 23.983 -3.802 1.00 0.00 C ATOM 747 NZ LYS A 47 -45.465 24.890 -2.705 1.00 0.00 N ATOM 0 H LYS A 47 -49.113 23.534 -0.930 1.00 0.00 H new ATOM 0 HA LYS A 47 -47.995 25.006 -3.041 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -47.910 22.465 -2.317 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -49.193 22.318 -3.502 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -47.563 22.242 -5.085 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -47.337 23.958 -4.807 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -45.968 22.321 -2.771 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -45.424 21.941 -4.393 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -44.003 23.726 -3.696 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -45.167 24.490 -4.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -45.848 25.770 -3.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -46.194 24.428 -2.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -44.640 25.110 -2.112 1.00 0.00 H new ATOM 761 N ASP A 48 -51.186 24.799 -3.120 1.00 0.00 N ATOM 762 CA ASP A 48 -52.382 25.228 -3.823 1.00 0.00 C ATOM 763 C ASP A 48 -53.077 26.325 -3.015 1.00 0.00 C ATOM 764 O ASP A 48 -54.305 26.374 -2.954 1.00 0.00 O ATOM 765 CB ASP A 48 -53.367 24.070 -3.993 1.00 0.00 C ATOM 766 CG ASP A 48 -54.278 24.170 -5.218 1.00 0.00 C ATOM 767 OD1 ASP A 48 -54.248 25.242 -5.861 1.00 0.00 O ATOM 768 OD2 ASP A 48 -54.982 23.172 -5.485 1.00 0.00 O ATOM 0 H ASP A 48 -51.344 24.489 -2.161 1.00 0.00 H new ATOM 0 HA ASP A 48 -52.083 25.593 -4.805 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -52.803 23.139 -4.053 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -53.989 24.008 -3.100 1.00 0.00 H new ATOM 773 N CYS A 49 -52.263 27.180 -2.414 1.00 0.00 N ATOM 774 CA CYS A 49 -52.784 28.275 -1.612 1.00 0.00 C ATOM 775 C CYS A 49 -53.297 29.361 -2.558 1.00 0.00 C ATOM 776 O CYS A 49 -52.829 29.478 -3.690 1.00 0.00 O ATOM 777 CB CYS A 49 -51.733 28.814 -0.640 1.00 0.00 C ATOM 778 SG CYS A 49 -52.530 29.889 0.609 1.00 0.00 S ATOM 0 H CYS A 49 -51.245 27.137 -2.466 1.00 0.00 H new ATOM 0 HA CYS A 49 -53.606 27.917 -0.992 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -51.223 27.986 -0.147 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -50.975 29.376 -1.186 1.00 0.00 H new ATOM 783 N THR A 50 -54.255 30.131 -2.061 1.00 0.00 N ATOM 784 CA THR A 50 -54.837 31.204 -2.848 1.00 0.00 C ATOM 785 C THR A 50 -54.074 32.510 -2.616 1.00 0.00 C ATOM 786 O THR A 50 -54.097 33.404 -3.460 1.00 0.00 O ATOM 787 CB THR A 50 -56.324 31.298 -2.493 1.00 0.00 C ATOM 788 OG1 THR A 50 -56.329 31.643 -1.111 1.00 0.00 O ATOM 789 CG2 THR A 50 -57.023 29.938 -2.541 1.00 0.00 C ATOM 0 H THR A 50 -54.642 30.032 -1.123 1.00 0.00 H new ATOM 0 HA THR A 50 -54.754 31.001 -3.916 1.00 0.00 H new ATOM 0 HB THR A 50 -56.819 31.985 -3.179 1.00 0.00 H new ATOM 0 HG1 THR A 50 -57.254 31.726 -0.798 1.00 0.00 H new ATOM 0 HG21 THR A 50 -58.075 30.060 -2.281 1.00 0.00 H new ATOM 0 HG22 THR A 50 -56.943 29.523 -3.546 1.00 0.00 H new ATOM 0 HG23 THR A 50 -56.550 29.261 -1.830 1.00 0.00 H new ATOM 797 N GLU A 51 -53.416 32.578 -1.468 1.00 0.00 N ATOM 798 CA GLU A 51 -52.648 33.759 -1.114 1.00 0.00 C ATOM 799 C GLU A 51 -51.151 33.443 -1.130 1.00 0.00 C ATOM 800 O GLU A 51 -50.463 33.625 -0.126 1.00 0.00 O ATOM 801 CB GLU A 51 -53.079 34.306 0.248 1.00 0.00 C ATOM 802 CG GLU A 51 -53.293 35.820 0.189 1.00 0.00 C ATOM 803 CD GLU A 51 -53.463 36.406 1.591 1.00 0.00 C ATOM 804 OE1 GLU A 51 -54.182 35.767 2.390 1.00 0.00 O ATOM 805 OE2 GLU A 51 -52.869 37.478 1.835 1.00 0.00 O ATOM 0 H GLU A 51 -53.399 31.834 -0.771 1.00 0.00 H new ATOM 0 HA GLU A 51 -52.844 34.532 -1.857 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -54.000 33.817 0.565 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -52.320 34.071 0.995 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -52.444 36.292 -0.305 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -54.175 36.043 -0.411 1.00 0.00 H new ATOM 812 N ARG A 52 -50.690 32.973 -2.280 1.00 0.00 N ATOM 813 CA ARG A 52 -49.287 32.630 -2.440 1.00 0.00 C ATOM 814 C ARG A 52 -48.493 33.848 -2.916 1.00 0.00 C ATOM 815 O ARG A 52 -47.530 34.257 -2.270 1.00 0.00 O ATOM 816 CB ARG A 52 -49.110 31.488 -3.443 1.00 0.00 C ATOM 817 CG ARG A 52 -48.254 30.366 -2.852 1.00 0.00 C ATOM 818 CD ARG A 52 -46.994 30.138 -3.690 1.00 0.00 C ATOM 819 NE ARG A 52 -47.345 29.463 -4.959 1.00 0.00 N ATOM 820 CZ ARG A 52 -46.450 28.893 -5.778 1.00 0.00 C ATOM 821 NH1 ARG A 52 -45.147 28.912 -5.465 1.00 0.00 N ATOM 822 NH2 ARG A 52 -46.859 28.302 -6.908 1.00 0.00 N ATOM 0 H ARG A 52 -51.263 32.822 -3.110 1.00 0.00 H new ATOM 0 HA ARG A 52 -48.912 32.306 -1.469 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -50.086 31.094 -3.727 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -48.642 31.867 -4.352 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -47.974 30.618 -1.829 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -48.836 29.446 -2.806 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -46.508 31.091 -3.898 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -46.281 29.532 -3.131 1.00 0.00 H new ATOM 0 HE ARG A 52 -48.329 29.429 -5.227 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -44.836 29.360 -4.603 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -44.466 28.478 -6.089 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -47.851 28.286 -7.145 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -46.179 27.868 -7.532 1.00 0.00 H new ATOM 836 N GLN A 53 -48.927 34.392 -4.044 1.00 0.00 N ATOM 837 CA GLN A 53 -48.268 35.554 -4.615 1.00 0.00 C ATOM 838 C GLN A 53 -49.243 36.335 -5.498 1.00 0.00 C ATOM 839 O GLN A 53 -50.093 35.745 -6.162 1.00 0.00 O ATOM 840 CB GLN A 53 -47.021 35.147 -5.401 1.00 0.00 C ATOM 841 CG GLN A 53 -45.754 35.696 -4.742 1.00 0.00 C ATOM 842 CD GLN A 53 -45.292 36.983 -5.429 1.00 0.00 C ATOM 843 OE1 GLN A 53 -45.980 37.557 -6.257 1.00 0.00 O ATOM 844 NE2 GLN A 53 -44.091 37.401 -5.041 1.00 0.00 N ATOM 0 H GLN A 53 -49.726 34.050 -4.577 1.00 0.00 H new ATOM 0 HA GLN A 53 -47.946 36.202 -3.800 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -46.963 34.060 -5.460 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -47.094 35.518 -6.423 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -45.944 35.891 -3.687 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -44.962 34.949 -4.791 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -43.568 36.872 -4.343 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -43.693 38.250 -5.441 1.00 0.00 H new ATOM 853 N ALA A 54 -49.086 37.651 -5.478 1.00 0.00 N ATOM 854 CA ALA A 54 -49.942 38.519 -6.269 1.00 0.00 C ATOM 855 C ALA A 54 -49.996 38.000 -7.707 1.00 0.00 C ATOM 856 O ALA A 54 -48.994 37.525 -8.238 1.00 0.00 O ATOM 857 CB ALA A 54 -49.426 39.957 -6.187 1.00 0.00 C ATOM 0 H ALA A 54 -48.379 38.137 -4.927 1.00 0.00 H new ATOM 0 HA ALA A 54 -50.960 38.515 -5.878 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -50.068 40.608 -6.780 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -49.434 40.288 -5.148 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -48.408 40.001 -6.574 1.00 0.00 H new ATOM 863 N ASN A 55 -51.178 38.109 -8.298 1.00 0.00 N ATOM 864 CA ASN A 55 -51.376 37.658 -9.664 1.00 0.00 C ATOM 865 C ASN A 55 -50.605 38.572 -10.616 1.00 0.00 C ATOM 866 O ASN A 55 -49.574 39.133 -10.246 1.00 0.00 O ATOM 867 CB ASN A 55 -52.856 37.711 -10.053 1.00 0.00 C ATOM 868 CG ASN A 55 -53.477 36.313 -10.034 1.00 0.00 C ATOM 869 OD1 ASN A 55 -53.262 35.521 -9.133 1.00 0.00 O ATOM 870 ND2 ASN A 55 -54.260 36.055 -11.079 1.00 0.00 N ATOM 0 H ASN A 55 -52.008 38.503 -7.855 1.00 0.00 H new ATOM 0 HA ASN A 55 -51.021 36.630 -9.734 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -53.394 38.361 -9.363 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -52.959 38.145 -11.047 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -54.722 35.149 -11.159 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -54.398 36.763 -11.800 1.00 0.00 H new HETATM 877 N NH2 A 56 -51.133 38.696 -11.826 1.00 0.00 N TER 878 NH2 A 56 HETATM 879 OP3 CG1 B 201 -37.822 -6.796 1.211 1.00 0.00 O HETATM 880 P CG1 B 201 -39.018 -5.745 1.058 1.00 0.00 P HETATM 881 OP1 CG1 B 201 -38.753 -4.851 -0.091 1.00 0.00 O HETATM 882 OP2 CG1 B 201 -39.295 -5.112 2.367 1.00 0.00 O HETATM 883 O5' CG1 B 201 -40.267 -6.673 0.684 1.00 0.00 O HETATM 884 C5' CG1 B 201 -40.051 -7.996 0.197 1.00 0.00 C HETATM 885 C4' CG1 B 201 -41.346 -8.575 -0.325 1.00 0.00 C HETATM 886 O4' CG1 B 201 -42.327 -8.808 0.282 1.00 0.00 O HETATM 887 C3' CG1 B 201 -41.892 -7.880 -1.569 1.00 0.00 C HETATM 888 O3' CG1 B 201 -41.032 -8.147 -2.675 1.00 0.00 O HETATM 889 C2' CG1 B 201 -43.261 -8.464 -1.782 1.00 0.00 C HETATM 890 O2' CG1 B 201 -43.039 -9.411 -2.802 1.00 0.00 O HETATM 891 C1' CG1 B 201 -43.539 -9.044 -0.398 1.00 0.00 C HETATM 892 N9 CG1 B 201 -44.675 -8.399 0.294 1.00 0.00 N HETATM 893 C8 CG1 B 201 -44.660 -7.243 0.991 1.00 0.00 C HETATM 894 N7 CG1 B 201 -45.850 -6.933 1.494 1.00 0.00 N HETATM 895 C5 CG1 B 201 -46.658 -7.959 1.085 1.00 0.00 C HETATM 896 C6 CG1 B 201 -48.031 -8.208 1.296 1.00 0.00 C HETATM 897 O6 CG1 B 201 -48.797 -7.489 1.935 1.00 0.00 O HETATM 898 N1 CG1 B 201 -48.553 -9.339 0.748 1.00 0.00 N HETATM 899 C2 CG1 B 201 -47.735 -10.150 0.038 1.00 0.00 C HETATM 900 N2 CG1 B 201 -48.391 -11.209 -0.430 1.00 0.00 N HETATM 901 N3 CG1 B 201 -46.422 -10.012 -0.224 1.00 0.00 N HETATM 902 C4 CG1 B 201 -45.961 -8.865 0.350 1.00 0.00 C HETATM 906 C CG1 B 201 -36.550 -6.519 0.625 1.00 0.00 C HETATM 0 HO2' CG1 B 201 -42.079 -9.597 -2.873 1.00 0.00 H new HETATM 0 HN2A CG1 B 201 -47.899 -11.909 -0.986 1.00 0.00 H new HETATM 0 H5'A CG1 B 201 -39.304 -7.982 -0.596 1.00 0.00 H new HETATM 0 HN2 CG1 B 201 -49.386 -11.321 -0.233 1.00 0.00 H new HETATM 0 HN1 CG1 B 201 -49.539 -9.570 0.870 1.00 0.00 H new HETATM 0 HB CG1 B 201 -36.663 -6.404 -0.453 1.00 0.00 H new HETATM 0 HA CG1 B 201 -36.147 -5.599 1.048 1.00 0.00 H new HETATM 0 H8 CG1 B 201 -43.769 -6.631 1.126 1.00 0.00 H new HETATM 0 H5' CG1 B 201 -39.657 -8.626 0.995 1.00 0.00 H new HETATM 0 H4' CG1 B 201 -40.842 -9.539 -0.394 1.00 0.00 H new HETATM 0 H3' CG1 B 201 -41.945 -6.797 -1.462 1.00 0.00 H new HETATM 0 H2' CG1 B 201 -44.098 -7.837 -2.089 1.00 0.00 H new HETATM 0 H1' CG1 B 201 -43.831 -10.093 -0.445 1.00 0.00 H new HETATM 0 H CG1 B 201 -35.867 -7.343 0.832 1.00 0.00 H new ATOM 915 P G B 202 -40.642 -6.970 -3.686 1.00 0.00 P ATOM 916 OP1 G B 202 -39.516 -7.401 -4.544 1.00 0.00 O ATOM 917 OP2 G B 202 -40.482 -5.703 -2.939 1.00 0.00 O ATOM 918 O5' G B 202 -41.943 -6.840 -4.607 1.00 0.00 O ATOM 919 C5' G B 202 -42.497 -7.999 -5.226 1.00 0.00 C ATOM 920 C4' G B 202 -44.006 -7.968 -5.133 1.00 0.00 C ATOM 921 O4' G B 202 -44.823 -8.126 -4.012 1.00 0.00 O ATOM 922 C3' G B 202 -44.635 -6.634 -5.526 1.00 0.00 C ATOM 923 O3' G B 202 -44.266 -6.313 -6.866 1.00 0.00 O ATOM 924 C2' G B 202 -46.119 -6.841 -5.398 1.00 0.00 C ATOM 925 O2' G B 202 -46.454 -7.452 -6.623 1.00 0.00 O ATOM 926 C1' G B 202 -46.173 -7.752 -4.174 1.00 0.00 C ATOM 927 N9 G B 202 -46.691 -7.081 -2.963 1.00 0.00 N ATOM 928 C8 G B 202 -46.024 -6.241 -2.143 1.00 0.00 C ATOM 929 N7 G B 202 -46.775 -5.805 -1.136 1.00 0.00 N ATOM 930 C5 G B 202 -47.985 -6.412 -1.342 1.00 0.00 C ATOM 931 C6 G B 202 -49.195 -6.351 -0.618 1.00 0.00 C ATOM 932 O6 G B 202 -49.383 -5.692 0.403 1.00 0.00 O ATOM 933 N1 G B 202 -50.241 -7.085 -1.087 1.00 0.00 N ATOM 934 C2 G B 202 -50.064 -7.819 -2.207 1.00 0.00 C ATOM 935 N2 G B 202 -51.174 -8.475 -2.536 1.00 0.00 N ATOM 936 N3 G B 202 -48.964 -7.949 -2.972 1.00 0.00 N ATOM 937 C4 G B 202 -47.957 -7.194 -2.452 1.00 0.00 C ATOM 0 H5' G B 202 -42.114 -8.897 -4.742 1.00 0.00 H new ATOM 0 H5'' G B 202 -42.190 -8.044 -6.271 1.00 0.00 H new ATOM 0 H4' G B 202 -44.007 -8.880 -5.729 1.00 0.00 H new ATOM 0 H3' G B 202 -44.303 -5.807 -4.899 1.00 0.00 H new ATOM 0 H2' G B 202 -46.794 -5.997 -5.254 1.00 0.00 H new ATOM 0 HO2' G B 202 -45.682 -7.420 -7.226 1.00 0.00 H new ATOM 0 H1' G B 202 -46.857 -8.589 -4.315 1.00 0.00 H new ATOM 0 H8 G B 202 -44.993 -5.954 -2.289 1.00 0.00 H new ATOM 0 H1 G B 202 -51.139 -7.081 -0.603 1.00 0.00 H new ATOM 0 H21 G B 202 -51.188 -9.072 -3.363 1.00 0.00 H new ATOM 0 H22 G B 202 -52.011 -8.381 -1.961 1.00 0.00 H new ATOM 949 P C B 203 -43.918 -4.801 -7.258 1.00 0.00 P ATOM 950 OP1 C B 203 -42.946 -4.788 -8.375 1.00 0.00 O ATOM 951 OP2 C B 203 -43.569 -4.037 -6.041 1.00 0.00 O ATOM 952 O5' C B 203 -45.312 -4.243 -7.811 1.00 0.00 O ATOM 953 C5' C B 203 -46.094 -5.034 -8.703 1.00 0.00 C ATOM 954 C4' C B 203 -47.518 -5.126 -8.204 1.00 0.00 C ATOM 955 O4' C B 203 -47.656 -5.268 -7.053 1.00 0.00 O ATOM 956 C3' C B 203 -48.368 -3.892 -8.492 1.00 0.00 C ATOM 957 O3' C B 203 -48.904 -3.983 -9.810 1.00 0.00 O ATOM 958 C2' C B 203 -49.455 -3.907 -7.453 1.00 0.00 C ATOM 959 O2' C B 203 -50.582 -4.322 -8.188 1.00 0.00 O ATOM 960 C1' C B 203 -48.896 -4.934 -6.473 1.00 0.00 C ATOM 961 N1 C B 203 -48.721 -4.409 -5.102 1.00 0.00 N ATOM 962 C2 C B 203 -49.788 -4.543 -4.216 1.00 0.00 C ATOM 963 O2 C B 203 -50.823 -5.091 -4.613 1.00 0.00 O ATOM 964 N3 C B 203 -49.652 -4.072 -2.963 1.00 0.00 N ATOM 965 C4 C B 203 -48.541 -3.490 -2.556 1.00 0.00 C ATOM 966 N4 C B 203 -48.427 -3.031 -1.316 1.00 0.00 N ATOM 967 C5 C B 203 -47.421 -3.339 -3.455 1.00 0.00 C ATOM 968 C6 C B 203 -47.572 -3.813 -4.701 1.00 0.00 C ATOM 0 H5' C B 203 -45.665 -6.032 -8.787 1.00 0.00 H new ATOM 0 H5'' C B 203 -46.078 -4.595 -9.700 1.00 0.00 H new ATOM 0 H4' C B 203 -47.834 -6.011 -8.756 1.00 0.00 H new ATOM 0 H3' C B 203 -47.798 -2.964 -8.445 1.00 0.00 H new ATOM 0 H2' C B 203 -49.728 -3.000 -6.913 1.00 0.00 H new ATOM 0 HO2' C B 203 -50.306 -4.582 -9.092 1.00 0.00 H new ATOM 0 H1' C B 203 -49.571 -5.779 -6.338 1.00 0.00 H new ATOM 0 H41 C B 203 -47.561 -2.583 -1.016 1.00 0.00 H new ATOM 0 H42 C B 203 -49.205 -3.126 -0.663 1.00 0.00 H new ATOM 0 H5 C B 203 -46.503 -2.866 -3.139 1.00 0.00 H new ATOM 0 H6 C B 203 -46.757 -3.717 -5.403 1.00 0.00 H new ATOM 980 P G B 204 -49.169 -2.651 -10.659 1.00 0.00 P ATOM 981 OP1 G B 204 -49.554 -3.012 -12.042 1.00 0.00 O ATOM 982 OP2 G B 204 -48.036 -1.717 -10.486 1.00 0.00 O ATOM 983 O5' G B 204 -50.449 -2.016 -9.940 1.00 0.00 O ATOM 984 C5' G B 204 -51.749 -2.538 -10.205 1.00 0.00 C ATOM 985 C4' G B 204 -52.801 -1.671 -9.552 1.00 0.00 C ATOM 986 O4' G B 204 -52.710 -1.857 -8.252 1.00 0.00 O ATOM 987 C3' G B 204 -52.489 -0.177 -9.573 1.00 0.00 C ATOM 988 O3' G B 204 -53.008 0.399 -10.769 1.00 0.00 O ATOM 989 C2' G B 204 -53.160 0.387 -8.352 1.00 0.00 C ATOM 990 O2' G B 204 -54.466 0.655 -8.812 1.00 0.00 O ATOM 991 C1' G B 204 -53.035 -0.791 -7.389 1.00 0.00 C ATOM 992 N9 G B 204 -51.991 -0.601 -6.359 1.00 0.00 N ATOM 993 C8 G B 204 -50.657 -0.737 -6.509 1.00 0.00 C ATOM 994 N7 G B 204 -49.987 -0.495 -5.387 1.00 0.00 N ATOM 995 C5 G B 204 -50.966 -0.190 -4.481 1.00 0.00 C ATOM 996 C6 G B 204 -50.898 0.159 -3.115 1.00 0.00 C ATOM 997 O6 G B 204 -49.866 0.254 -2.454 1.00 0.00 O ATOM 998 N1 G B 204 -52.073 0.411 -2.474 1.00 0.00 N ATOM 999 C2 G B 204 -53.224 0.313 -3.176 1.00 0.00 C ATOM 1000 N2 G B 204 -54.280 0.588 -2.413 1.00 0.00 N ATOM 1001 N3 G B 204 -53.405 -0.008 -4.470 1.00 0.00 N ATOM 1002 C4 G B 204 -52.197 -0.247 -5.052 1.00 0.00 C ATOM 0 H5' G B 204 -51.823 -3.558 -9.829 1.00 0.00 H new ATOM 0 H5'' G B 204 -51.919 -2.582 -11.281 1.00 0.00 H new ATOM 0 H4' G B 204 -53.727 -1.923 -10.069 1.00 0.00 H new ATOM 0 H3' G B 204 -51.420 0.033 -9.559 1.00 0.00 H new ATOM 0 H2' G B 204 -52.784 1.291 -7.872 1.00 0.00 H new ATOM 0 HO2' G B 204 -54.830 1.428 -8.331 1.00 0.00 H new ATOM 0 H1' G B 204 -53.944 -0.944 -6.808 1.00 0.00 H new ATOM 0 H8 G B 204 -50.185 -1.013 -7.440 1.00 0.00 H new ATOM 0 H1 G B 204 -52.084 0.668 -1.487 1.00 0.00 H new ATOM 0 H21 G B 204 -55.219 0.554 -2.810 1.00 0.00 H new ATOM 0 H22 G B 204 -54.150 0.833 -1.431 1.00 0.00 H new ATOM 1014 P A B 205 -53.193 1.984 -10.879 1.00 0.00 P ATOM 1015 OP1 A B 205 -52.837 2.435 -12.243 1.00 0.00 O ATOM 1016 OP2 A B 205 -52.513 2.645 -9.743 1.00 0.00 O ATOM 1017 O5' A B 205 -54.770 2.177 -10.691 1.00 0.00 O ATOM 1018 C5' A B 205 -55.292 3.446 -10.302 1.00 0.00 C ATOM 1019 C4' A B 205 -54.778 3.822 -8.931 1.00 0.00 C ATOM 1020 O4' A B 205 -54.027 3.149 -7.954 1.00 0.00 O ATOM 1021 C3' A B 205 -53.833 5.021 -8.920 1.00 0.00 C ATOM 1022 O3' A B 205 -54.434 6.105 -9.625 1.00 0.00 O ATOM 1023 C2' A B 205 -53.629 5.352 -7.467 1.00 0.00 C ATOM 1024 O2' A B 205 -54.710 6.216 -7.192 1.00 0.00 O ATOM 1025 C1' A B 205 -53.725 3.963 -6.843 1.00 0.00 C ATOM 1026 N9 A B 205 -52.477 3.525 -6.184 1.00 0.00 N ATOM 1027 C8 A B 205 -51.391 2.975 -6.768 1.00 0.00 C ATOM 1028 N7 A B 205 -50.429 2.692 -5.897 1.00 0.00 N ATOM 1029 C5 A B 205 -50.947 3.089 -4.694 1.00 0.00 C ATOM 1030 C6 A B 205 -50.414 3.052 -3.388 1.00 0.00 C ATOM 1031 N6 A B 205 -49.183 2.571 -3.073 1.00 0.00 N ATOM 1032 N1 A B 205 -51.191 3.532 -2.379 1.00 0.00 N ATOM 1033 C2 A B 205 -52.418 4.012 -2.683 1.00 0.00 C ATOM 1034 N3 A B 205 -53.023 4.095 -3.882 1.00 0.00 N ATOM 1035 C4 A B 205 -52.197 3.601 -4.845 1.00 0.00 C ATOM 0 H5' A B 205 -56.381 3.413 -10.294 1.00 0.00 H new ATOM 0 H5'' A B 205 -55.002 4.205 -11.028 1.00 0.00 H new ATOM 0 H4' A B 205 -55.833 3.748 -8.667 1.00 0.00 H new ATOM 0 H3' A B 205 -52.881 4.816 -9.409 1.00 0.00 H new ATOM 0 H2' A B 205 -52.717 5.842 -7.125 1.00 0.00 H new ATOM 0 HO2' A B 205 -55.406 6.096 -7.872 1.00 0.00 H new ATOM 0 H1' A B 205 -54.464 3.924 -6.043 1.00 0.00 H new ATOM 0 H8 A B 205 -51.313 2.786 -7.828 1.00 0.00 H new ATOM 0 H61 A B 205 -48.866 2.577 -2.104 1.00 0.00 H new ATOM 0 H62 A B 205 -48.576 2.204 -3.806 1.00 0.00 H new ATOM 0 H2 A B 205 -52.993 4.380 -1.846 1.00 0.00 H new ATOM 1047 P C B 206 -53.546 7.026 -10.584 1.00 0.00 P ATOM 1048 OP1 C B 206 -54.335 7.413 -11.776 1.00 0.00 O ATOM 1049 OP2 C B 206 -52.232 6.383 -10.816 1.00 0.00 O ATOM 1050 O5' C B 206 -53.305 8.339 -9.704 1.00 0.00 O ATOM 1051 C5' C B 206 -54.249 8.705 -8.699 1.00 0.00 C ATOM 1052 C4' C B 206 -53.554 8.862 -7.365 1.00 0.00 C ATOM 1053 O4' C B 206 -52.910 7.953 -7.028 1.00 0.00 O ATOM 1054 C3' C B 206 -52.594 10.046 -7.289 1.00 0.00 C ATOM 1055 O3' C B 206 -53.301 11.202 -6.845 1.00 0.00 O ATOM 1056 C2' C B 206 -51.535 9.636 -6.304 1.00 0.00 C ATOM 1057 O2' C B 206 -51.952 10.272 -5.117 1.00 0.00 O ATOM 1058 C1' C B 206 -51.698 8.119 -6.327 1.00 0.00 C ATOM 1059 N1 C B 206 -50.589 7.417 -7.005 1.00 0.00 N ATOM 1060 C2 C B 206 -49.563 6.905 -6.212 1.00 0.00 C ATOM 1061 O2 C B 206 -49.629 7.062 -4.988 1.00 0.00 O ATOM 1062 N3 C B 206 -48.542 6.262 -6.807 1.00 0.00 N ATOM 1063 C4 C B 206 -48.488 6.105 -8.114 1.00 0.00 C ATOM 1064 N4 C B 206 -47.472 5.467 -8.682 1.00 0.00 N ATOM 1065 C5 C B 206 -49.539 6.625 -8.959 1.00 0.00 C ATOM 1066 C6 C B 206 -50.549 7.264 -8.352 1.00 0.00 C ATOM 0 H5' C B 206 -55.027 7.945 -8.625 1.00 0.00 H new ATOM 0 H5'' C B 206 -54.741 9.638 -8.974 1.00 0.00 H new ATOM 0 H4' C B 206 -54.419 8.993 -6.715 1.00 0.00 H new ATOM 0 H3' C B 206 -52.152 10.296 -8.253 1.00 0.00 H new ATOM 0 H2' C B 206 -50.488 9.892 -6.466 1.00 0.00 H new ATOM 0 HO2' C B 206 -51.867 11.243 -5.219 1.00 0.00 H new ATOM 0 H1' C B 206 -51.696 7.692 -5.324 1.00 0.00 H new ATOM 0 H41 C B 206 -47.444 5.353 -9.695 1.00 0.00 H new ATOM 0 H42 C B 206 -46.720 5.091 -8.105 1.00 0.00 H new ATOM 0 H5 C B 206 -49.512 6.504 -10.032 1.00 0.00 H new ATOM 0 H6 C B 206 -51.352 7.668 -8.951 1.00 0.00 H new ATOM 1078 P U B 207 -53.286 12.537 -7.728 1.00 0.00 P ATOM 1079 OP1 U B 207 -54.568 13.258 -7.563 1.00 0.00 O ATOM 1080 OP2 U B 207 -52.854 12.218 -9.107 1.00 0.00 O ATOM 1081 O5' U B 207 -52.136 13.409 -7.038 1.00 0.00 O ATOM 1082 C5' U B 207 -52.366 14.018 -5.769 1.00 0.00 C ATOM 1083 C4' U B 207 -51.292 13.599 -4.790 1.00 0.00 C ATOM 1084 O4' U B 207 -50.761 12.573 -5.196 1.00 0.00 O ATOM 1085 C3' U B 207 -50.079 14.524 -4.752 1.00 0.00 C ATOM 1086 O3' U B 207 -50.305 15.564 -3.804 1.00 0.00 O ATOM 1087 C2' U B 207 -48.926 13.650 -4.346 1.00 0.00 C ATOM 1088 O2' U B 207 -48.777 13.949 -2.976 1.00 0.00 O ATOM 1089 C1' U B 207 -49.494 12.267 -4.656 1.00 0.00 C ATOM 1090 N1 U B 207 -48.676 11.496 -5.616 1.00 0.00 N ATOM 1091 C2 U B 207 -47.700 10.712 -5.083 1.00 0.00 C ATOM 1092 O2 U B 207 -47.479 10.626 -3.885 1.00 0.00 O ATOM 1093 N3 U B 207 -46.937 9.993 -5.975 1.00 0.00 N ATOM 1094 C4 U B 207 -47.118 10.034 -7.334 1.00 0.00 C ATOM 1095 O4 U B 207 -46.376 9.348 -8.036 1.00 0.00 O ATOM 1096 C5 U B 207 -48.151 10.867 -7.838 1.00 0.00 C ATOM 1097 C6 U B 207 -48.878 11.556 -6.956 1.00 0.00 C ATOM 0 H5' U B 207 -53.347 13.729 -5.391 1.00 0.00 H new ATOM 0 H5'' U B 207 -52.371 15.103 -5.873 1.00 0.00 H new ATOM 0 H4' U B 207 -51.812 13.554 -3.833 1.00 0.00 H new ATOM 0 H3' U B 207 -49.883 15.006 -5.710 1.00 0.00 H new ATOM 0 H2' U B 207 -47.949 13.756 -4.817 1.00 0.00 H new ATOM 0 HO2' U B 207 -49.320 14.734 -2.752 1.00 0.00 H new ATOM 0 H1' U B 207 -49.523 11.627 -3.774 1.00 0.00 H new ATOM 0 H3 U B 207 -46.196 9.397 -5.605 1.00 0.00 H new ATOM 0 H5 U B 207 -48.342 10.941 -8.898 1.00 0.00 H new ATOM 0 H6 U B 207 -49.667 12.193 -7.328 1.00 0.00 H new ATOM 1108 P G B 208 -50.056 17.091 -4.216 1.00 0.00 P ATOM 1109 OP1 G B 208 -50.717 17.985 -3.240 1.00 0.00 O ATOM 1110 OP2 G B 208 -50.384 17.280 -5.646 1.00 0.00 O ATOM 1111 O5' G B 208 -48.474 17.256 -4.045 1.00 0.00 O ATOM 1112 C5' G B 208 -47.590 16.705 -5.019 1.00 0.00 C ATOM 1113 C4' G B 208 -46.286 16.302 -4.369 1.00 0.00 C ATOM 1114 O4' G B 208 -46.135 15.231 -4.539 1.00 0.00 O ATOM 1115 C3' G B 208 -45.059 17.030 -4.912 1.00 0.00 C ATOM 1116 O3' G B 208 -44.500 17.845 -3.886 1.00 0.00 O ATOM 1117 C2' G B 208 -44.108 15.944 -5.334 1.00 0.00 C ATOM 1118 O2' G B 208 -43.078 16.045 -4.378 1.00 0.00 O ATOM 1119 C1' G B 208 -45.005 14.715 -5.206 1.00 0.00 C ATOM 1120 N9 G B 208 -45.378 14.120 -6.507 1.00 0.00 N ATOM 1121 C8 G B 208 -46.343 14.538 -7.352 1.00 0.00 C ATOM 1122 N7 G B 208 -46.429 13.785 -8.444 1.00 0.00 N ATOM 1123 C5 G B 208 -45.457 12.837 -8.268 1.00 0.00 C ATOM 1124 C6 G B 208 -45.050 11.755 -9.075 1.00 0.00 C ATOM 1125 O6 G B 208 -45.538 11.453 -10.162 1.00 0.00 O ATOM 1126 N1 G B 208 -44.031 10.977 -8.613 1.00 0.00 N ATOM 1127 C2 G B 208 -43.475 11.285 -7.421 1.00 0.00 C ATOM 1128 N2 G B 208 -42.497 10.437 -7.110 1.00 0.00 N ATOM 1129 N3 G B 208 -43.780 12.286 -6.574 1.00 0.00 N ATOM 1130 C4 G B 208 -44.803 13.023 -7.092 1.00 0.00 C ATOM 0 H5' G B 208 -47.402 17.436 -5.806 1.00 0.00 H new ATOM 0 H5'' G B 208 -48.052 15.839 -5.492 1.00 0.00 H new ATOM 0 H4' G B 208 -46.375 16.565 -3.315 1.00 0.00 H new ATOM 0 H3' G B 208 -45.291 17.689 -5.748 1.00 0.00 H new ATOM 0 H2' G B 208 -43.646 15.955 -6.321 1.00 0.00 H new ATOM 0 HO2' G B 208 -43.212 15.370 -3.680 1.00 0.00 H new ATOM 0 H1' G B 208 -44.509 13.897 -4.684 1.00 0.00 H new ATOM 0 H8 G B 208 -46.977 15.392 -7.162 1.00 0.00 H new ATOM 0 H1 G B 208 -43.696 10.180 -9.155 1.00 0.00 H new ATOM 0 H21 G B 208 -41.985 10.548 -6.235 1.00 0.00 H new ATOM 0 H22 G B 208 -42.260 9.677 -7.747 1.00 0.00 H new ATOM 1142 P G B 209 -44.276 19.409 -4.140 1.00 0.00 P ATOM 1143 OP1 G B 209 -45.026 19.831 -5.344 1.00 0.00 O ATOM 1144 OP2 G B 209 -42.830 19.721 -4.093 1.00 0.00 O ATOM 1145 O5' G B 209 -44.968 20.084 -2.865 1.00 0.00 O ATOM 1146 C5' G B 209 -44.365 19.962 -1.579 1.00 0.00 C ATOM 1147 C4' G B 209 -45.212 19.082 -0.688 1.00 0.00 C ATOM 1148 O4' G B 209 -45.829 18.909 0.563 1.00 0.00 O ATOM 1149 C3' G B 209 -46.207 18.200 -1.437 1.00 0.00 C ATOM 1150 O3' G B 209 -45.914 16.828 -1.177 1.00 0.00 O ATOM 1151 C2' G B 209 -47.559 18.586 -0.904 1.00 0.00 C ATOM 1152 O2' G B 209 -48.343 17.452 -1.198 1.00 0.00 O ATOM 1153 C1' G B 209 -47.234 18.792 0.573 1.00 0.00 C ATOM 1154 N9 G B 209 -47.866 19.997 1.152 1.00 0.00 N ATOM 1155 C8 G B 209 -47.421 21.269 1.082 1.00 0.00 C ATOM 1156 N7 G B 209 -48.220 22.126 1.709 1.00 0.00 N ATOM 1157 C5 G B 209 -49.226 21.339 2.201 1.00 0.00 C ATOM 1158 C6 G B 209 -50.375 21.653 2.956 1.00 0.00 C ATOM 1159 O6 G B 209 -50.695 22.780 3.332 1.00 0.00 O ATOM 1160 N1 G B 209 -51.200 20.626 3.299 1.00 0.00 N ATOM 1161 C2 G B 209 -50.874 19.376 2.900 1.00 0.00 C ATOM 1162 N2 G B 209 -51.775 18.487 3.311 1.00 0.00 N ATOM 1163 N3 G B 209 -49.813 18.964 2.183 1.00 0.00 N ATOM 1164 C4 G B 209 -49.030 20.035 1.873 1.00 0.00 C ATOM 0 H5' G B 209 -44.251 20.947 -1.127 1.00 0.00 H new ATOM 0 H5'' G B 209 -43.365 19.539 -1.676 1.00 0.00 H new ATOM 0 H4' G B 209 -44.208 19.307 -0.328 1.00 0.00 H new ATOM 0 H3' G B 209 -46.163 18.334 -2.518 1.00 0.00 H new ATOM 0 H2' G B 209 -48.084 19.461 -1.286 1.00 0.00 H new ATOM 0 HO2' G B 209 -48.324 17.282 -2.163 1.00 0.00 H new ATOM 0 H1' G B 209 -47.613 17.980 1.194 1.00 0.00 H new ATOM 0 H8 G B 209 -46.514 21.559 0.572 1.00 0.00 H new ATOM 0 H1 G B 209 -52.045 20.796 3.845 1.00 0.00 H new ATOM 0 H21 G B 209 -51.659 17.500 3.082 1.00 0.00 H new ATOM 0 H22 G B 209 -52.582 18.793 3.855 1.00 0.00 H new ATOM 1176 P U B 210 -44.465 16.242 -1.515 1.00 0.00 P ATOM 1177 OP1 U B 210 -43.511 17.356 -1.716 1.00 0.00 O ATOM 1178 OP2 U B 210 -44.573 15.233 -2.592 1.00 0.00 O ATOM 1179 O5' U B 210 -44.060 15.483 -0.166 1.00 0.00 O ATOM 1180 C5' U B 210 -42.846 14.736 -0.104 1.00 0.00 C ATOM 1181 C4' U B 210 -43.148 13.256 -0.063 1.00 0.00 C ATOM 1182 O4' U B 210 -44.278 13.190 0.459 1.00 0.00 O ATOM 1183 C3' U B 210 -43.275 12.600 -1.435 1.00 0.00 C ATOM 1184 O3' U B 210 -42.536 11.380 -1.448 1.00 0.00 O ATOM 1185 C2' U B 210 -44.747 12.356 -1.622 1.00 0.00 C ATOM 1186 O2' U B 210 -44.773 11.105 -2.271 1.00 0.00 O ATOM 1187 C1' U B 210 -45.222 12.353 -0.172 1.00 0.00 C ATOM 1188 N1 U B 210 -46.595 12.872 -0.002 1.00 0.00 N ATOM 1189 C2 U B 210 -47.606 12.003 -0.273 1.00 0.00 C ATOM 1190 O2 U B 210 -47.430 10.851 -0.640 1.00 0.00 O ATOM 1191 N3 U B 210 -48.887 12.484 -0.114 1.00 0.00 N ATOM 1192 C4 U B 210 -49.172 13.762 0.293 1.00 0.00 C ATOM 1193 O4 U B 210 -50.355 14.084 0.400 1.00 0.00 O ATOM 1194 C5 U B 210 -48.080 14.629 0.563 1.00 0.00 C ATOM 1195 C6 U B 210 -46.847 14.142 0.403 1.00 0.00 C ATOM 0 H5' U B 210 -42.278 15.024 0.781 1.00 0.00 H new ATOM 0 H5'' U B 210 -42.225 14.964 -0.970 1.00 0.00 H new ATOM 0 H4' U B 210 -42.337 12.746 0.458 1.00 0.00 H new ATOM 0 H3' U B 210 -42.878 13.218 -2.240 1.00 0.00 H new ATOM 0 H2' U B 210 -45.361 13.044 -2.203 1.00 0.00 H new ATOM 0 HO2' U B 210 -43.858 10.770 -2.372 1.00 0.00 H new ATOM 0 H1' U B 210 -45.277 11.346 0.241 1.00 0.00 H new ATOM 0 H3 U B 210 -49.666 11.855 -0.310 1.00 0.00 H new ATOM 0 H5 U B 210 -48.241 15.647 0.886 1.00 0.00 H new ATOM 0 H6 U B 210 -46.008 14.792 0.606 1.00 0.00 H new ATOM 1206 P G B 211 -41.111 11.315 -2.171 1.00 0.00 P ATOM 1207 OP1 G B 211 -40.555 12.681 -2.299 1.00 0.00 O ATOM 1208 OP2 G B 211 -41.214 10.502 -3.404 1.00 0.00 O ATOM 1209 O5' G B 211 -40.211 10.511 -1.122 1.00 0.00 O ATOM 1210 C5' G B 211 -40.750 10.144 0.147 1.00 0.00 C ATOM 1211 C4' G B 211 -39.634 9.791 1.104 1.00 0.00 C ATOM 1212 O4' G B 211 -39.739 10.424 1.964 1.00 0.00 O ATOM 1213 C3' G B 211 -39.652 8.344 1.587 1.00 0.00 C ATOM 1214 O3' G B 211 -38.405 7.724 1.276 1.00 0.00 O ATOM 1215 C2' G B 211 -39.874 8.424 3.072 1.00 0.00 C ATOM 1216 O2' G B 211 -38.699 7.842 3.592 1.00 0.00 O ATOM 1217 C1' G B 211 -39.997 9.933 3.260 1.00 0.00 C ATOM 1218 N9 G B 211 -41.328 10.360 3.738 1.00 0.00 N ATOM 1219 C8 G B 211 -42.465 10.458 3.017 1.00 0.00 C ATOM 1220 N7 G B 211 -43.498 10.874 3.744 1.00 0.00 N ATOM 1221 C5 G B 211 -42.972 11.046 4.996 1.00 0.00 C ATOM 1222 C6 G B 211 -43.560 11.470 6.206 1.00 0.00 C ATOM 1223 O6 G B 211 -44.740 11.784 6.354 1.00 0.00 O ATOM 1224 N1 G B 211 -42.756 11.539 7.302 1.00 0.00 N ATOM 1225 C2 G B 211 -41.453 11.200 7.169 1.00 0.00 C ATOM 1226 N2 G B 211 -40.803 11.319 8.324 1.00 0.00 N ATOM 1227 N3 G B 211 -40.791 10.785 6.074 1.00 0.00 N ATOM 1228 C4 G B 211 -41.649 10.738 5.016 1.00 0.00 C ATOM 0 H5' G B 211 -41.424 9.295 0.033 1.00 0.00 H new ATOM 0 H5'' G B 211 -41.340 10.966 0.552 1.00 0.00 H new ATOM 0 H4' G B 211 -38.696 9.929 0.567 1.00 0.00 H new ATOM 0 H3' G B 211 -40.429 7.747 1.110 1.00 0.00 H new ATOM 0 H2' G B 211 -40.725 7.929 3.541 1.00 0.00 H new ATOM 0 HO2' G B 211 -38.052 8.546 3.806 1.00 0.00 H new ATOM 0 H1' G B 211 -39.318 10.308 4.026 1.00 0.00 H new ATOM 0 H8 G B 211 -42.529 10.224 1.965 1.00 0.00 H new ATOM 0 H1 G B 211 -43.127 11.839 8.203 1.00 0.00 H new ATOM 0 H21 G B 211 -39.809 11.096 8.375 1.00 0.00 H new ATOM 0 H22 G B 211 -41.299 11.633 9.158 1.00 0.00 H new ATOM 1240 P A B 212 -37.034 8.490 1.581 1.00 0.00 P ATOM 1241 OP1 A B 212 -35.975 7.506 1.902 1.00 0.00 O ATOM 1242 OP2 A B 212 -37.276 9.576 2.558 1.00 0.00 O ATOM 1243 O5' A B 212 -36.675 9.161 0.174 1.00 0.00 O ATOM 1244 C5' A B 212 -36.651 8.366 -1.010 1.00 0.00 C ATOM 1245 C4' A B 212 -38.062 8.091 -1.478 1.00 0.00 C ATOM 1246 O4' A B 212 -38.849 8.492 -2.573 1.00 0.00 O ATOM 1247 C3' A B 212 -38.365 6.616 -1.728 1.00 0.00 C ATOM 1248 O3' A B 212 -37.939 5.847 -0.605 1.00 0.00 O ATOM 1249 C2' A B 212 -39.856 6.543 -1.912 1.00 0.00 C ATOM 1250 O2' A B 212 -40.320 6.327 -0.599 1.00 0.00 O ATOM 1251 C1' A B 212 -40.139 7.927 -2.490 1.00 0.00 C ATOM 1252 N9 A B 212 -40.793 7.891 -3.814 1.00 0.00 N ATOM 1253 C8 A B 212 -40.237 7.545 -4.994 1.00 0.00 C ATOM 1254 N7 A B 212 -41.095 7.616 -6.005 1.00 0.00 N ATOM 1255 C5 A B 212 -42.260 8.033 -5.421 1.00 0.00 C ATOM 1256 C6 A B 212 -43.537 8.296 -5.961 1.00 0.00 C ATOM 1257 N6 A B 212 -43.856 8.170 -7.275 1.00 0.00 N ATOM 1258 N1 A B 212 -44.510 8.704 -5.100 1.00 0.00 N ATOM 1259 C2 A B 212 -44.200 8.832 -3.791 1.00 0.00 C ATOM 1260 N3 A B 212 -43.027 8.610 -3.170 1.00 0.00 N ATOM 1261 C4 A B 212 -42.099 8.207 -4.082 1.00 0.00 C ATOM 0 H5' A B 212 -36.134 7.426 -0.816 1.00 0.00 H new ATOM 0 H5'' A B 212 -36.094 8.881 -1.792 1.00 0.00 H new ATOM 0 H4' A B 212 -38.294 8.751 -0.642 1.00 0.00 H new ATOM 0 H3' A B 212 -37.845 6.218 -2.600 1.00 0.00 H new ATOM 0 H2' A B 212 -40.307 5.784 -2.551 1.00 0.00 H new ATOM 0 HO2' A B 212 -39.555 6.230 0.006 1.00 0.00 H new ATOM 0 H1' A B 212 -40.839 8.493 -1.876 1.00 0.00 H new ATOM 0 H8 A B 212 -39.206 7.243 -5.104 1.00 0.00 H new ATOM 0 H61 A B 212 -44.803 8.378 -7.592 1.00 0.00 H new ATOM 0 H62 A B 212 -43.149 7.867 -7.945 1.00 0.00 H new ATOM 0 H2 A B 212 -45.008 9.159 -3.153 1.00 0.00 H new ATOM 1273 P G B 213 -37.361 4.371 -0.819 1.00 0.00 P ATOM 1274 OP1 G B 213 -36.768 3.878 0.445 1.00 0.00 O ATOM 1275 OP2 G B 213 -36.511 4.339 -2.030 1.00 0.00 O ATOM 1276 O5' G B 213 -38.676 3.509 -1.117 1.00 0.00 O ATOM 1277 C5' G B 213 -39.599 3.230 -0.065 1.00 0.00 C ATOM 1278 C4' G B 213 -41.009 3.539 -0.516 1.00 0.00 C ATOM 1279 O4' G B 213 -41.366 4.072 -1.590 1.00 0.00 O ATOM 1280 C3' G B 213 -41.942 2.331 -0.536 1.00 0.00 C ATOM 1281 O3' G B 213 -42.114 1.842 0.792 1.00 0.00 O ATOM 1282 C2' G B 213 -43.237 2.841 -1.108 1.00 0.00 C ATOM 1283 O2' G B 213 -44.020 3.060 0.044 1.00 0.00 O ATOM 1284 C1' G B 213 -42.756 4.099 -1.824 1.00 0.00 C ATOM 1285 N9 G B 213 -43.055 4.104 -3.272 1.00 0.00 N ATOM 1286 C8 G B 213 -42.313 3.565 -4.263 1.00 0.00 C ATOM 1287 N7 G B 213 -42.859 3.740 -5.463 1.00 0.00 N ATOM 1288 C5 G B 213 -44.011 4.431 -5.203 1.00 0.00 C ATOM 1289 C6 G B 213 -45.024 4.915 -6.058 1.00 0.00 C ATOM 1290 O6 G B 213 -45.045 4.786 -7.281 1.00 0.00 O ATOM 1291 N1 G B 213 -46.064 5.578 -5.484 1.00 0.00 N ATOM 1292 C2 G B 213 -46.068 5.734 -4.140 1.00 0.00 C ATOM 1293 N2 G B 213 -47.146 6.399 -3.734 1.00 0.00 N ATOM 1294 N3 G B 213 -45.163 5.319 -3.236 1.00 0.00 N ATOM 1295 C4 G B 213 -44.151 4.664 -3.872 1.00 0.00 C ATOM 0 H5' G B 213 -39.351 3.825 0.814 1.00 0.00 H new ATOM 0 H5'' G B 213 -39.524 2.183 0.227 1.00 0.00 H new ATOM 0 H4' G B 213 -41.057 4.306 0.257 1.00 0.00 H new ATOM 0 H3' G B 213 -41.553 1.504 -1.129 1.00 0.00 H new ATOM 0 H2' G B 213 -43.825 2.234 -1.797 1.00 0.00 H new ATOM 0 HO2' G B 213 -44.346 2.201 0.386 1.00 0.00 H new ATOM 0 H1' G B 213 -43.256 4.996 -1.457 1.00 0.00 H new ATOM 0 H8 G B 213 -41.379 3.049 -4.099 1.00 0.00 H new ATOM 0 H1 G B 213 -46.824 5.949 -6.054 1.00 0.00 H new ATOM 0 H21 G B 213 -47.283 6.591 -2.742 1.00 0.00 H new ATOM 0 H22 G B 213 -47.836 6.717 -4.415 1.00 0.00 H new ATOM 1307 P U B 214 -41.679 0.346 1.157 1.00 0.00 P ATOM 1308 OP1 U B 214 -40.322 0.353 1.750 1.00 0.00 O ATOM 1309 OP2 U B 214 -41.910 -0.537 -0.008 1.00 0.00 O ATOM 1310 O5' U B 214 -42.718 -0.062 2.302 1.00 0.00 O ATOM 1311 C5' U B 214 -43.377 0.950 3.061 1.00 0.00 C ATOM 1312 C4' U B 214 -44.847 0.988 2.710 1.00 0.00 C ATOM 1313 O4' U B 214 -45.303 1.415 1.822 1.00 0.00 O ATOM 1314 C3' U B 214 -45.607 -0.294 3.038 1.00 0.00 C ATOM 1315 O3' U B 214 -46.342 -0.114 4.247 1.00 0.00 O ATOM 1316 C2' U B 214 -46.520 -0.524 1.866 1.00 0.00 C ATOM 1317 O2' U B 214 -47.777 -0.691 2.482 1.00 0.00 O ATOM 1318 C1' U B 214 -46.334 0.782 1.099 1.00 0.00 C ATOM 1319 N1 U B 214 -45.953 0.586 -0.315 1.00 0.00 N ATOM 1320 C2 U B 214 -46.875 0.955 -1.245 1.00 0.00 C ATOM 1321 O2 U B 214 -47.967 1.426 -0.967 1.00 0.00 O ATOM 1322 N3 U B 214 -46.521 0.774 -2.564 1.00 0.00 N ATOM 1323 C4 U B 214 -45.317 0.252 -2.961 1.00 0.00 C ATOM 1324 O4 U B 214 -45.108 0.136 -4.168 1.00 0.00 O ATOM 1325 C5 U B 214 -44.390 -0.117 -1.950 1.00 0.00 C ATOM 1326 C6 U B 214 -44.754 0.069 -0.679 1.00 0.00 C ATOM 0 H5' U B 214 -42.922 1.920 2.861 1.00 0.00 H new ATOM 0 H5'' U B 214 -43.254 0.754 4.126 1.00 0.00 H new ATOM 0 H4' U B 214 -44.945 1.842 3.381 1.00 0.00 H new ATOM 0 H3' U B 214 -44.950 -1.150 3.193 1.00 0.00 H new ATOM 0 H2' U B 214 -46.366 -1.366 1.191 1.00 0.00 H new ATOM 0 HO2' U B 214 -47.833 -1.588 2.872 1.00 0.00 H new ATOM 0 H1' U B 214 -47.258 1.357 1.037 1.00 0.00 H new ATOM 0 H3 U B 214 -47.191 1.043 -3.284 1.00 0.00 H new ATOM 0 H5 U B 214 -43.425 -0.533 -2.200 1.00 0.00 H new ATOM 0 H6 U B 214 -44.057 -0.207 0.099 1.00 0.00 H new ATOM 1337 P A B 215 -46.725 -1.380 5.146 1.00 0.00 P ATOM 1338 OP1 A B 215 -45.500 -1.957 5.743 1.00 0.00 O ATOM 1339 OP2 A B 215 -47.603 -2.290 4.377 1.00 0.00 O ATOM 1340 O5' A B 215 -47.593 -0.735 6.325 1.00 0.00 O ATOM 1341 C5' A B 215 -48.987 -0.498 6.137 1.00 0.00 C ATOM 1342 C4' A B 215 -49.424 0.701 6.947 1.00 0.00 C ATOM 1343 O4' A B 215 -48.764 1.940 6.942 1.00 0.00 O ATOM 1344 C3' A B 215 -50.907 1.041 6.820 1.00 0.00 C ATOM 1345 O3' A B 215 -51.611 0.516 7.943 1.00 0.00 O ATOM 1346 C2' A B 215 -50.968 2.542 6.783 1.00 0.00 C ATOM 1347 O2' A B 215 -51.203 2.877 8.132 1.00 0.00 O ATOM 1348 C1' A B 215 -49.573 2.871 6.259 1.00 0.00 C ATOM 1349 N9 A B 215 -49.442 2.719 4.794 1.00 0.00 N ATOM 1350 C8 A B 215 -48.465 2.077 4.120 1.00 0.00 C ATOM 1351 N7 A B 215 -48.636 2.120 2.803 1.00 0.00 N ATOM 1352 C5 A B 215 -49.794 2.834 2.645 1.00 0.00 C ATOM 1353 C6 A B 215 -50.504 3.220 1.488 1.00 0.00 C ATOM 1354 N6 A B 215 -50.126 2.922 0.219 1.00 0.00 N ATOM 1355 N1 A B 215 -51.646 3.938 1.666 1.00 0.00 N ATOM 1356 C2 A B 215 -52.031 4.239 2.926 1.00 0.00 C ATOM 1357 N3 A B 215 -51.436 3.926 4.093 1.00 0.00 N ATOM 1358 C4 A B 215 -50.304 3.209 3.848 1.00 0.00 C ATOM 0 H5' A B 215 -49.557 -1.377 6.438 1.00 0.00 H new ATOM 0 H5'' A B 215 -49.196 -0.329 5.081 1.00 0.00 H new ATOM 0 H4' A B 215 -49.106 0.234 7.879 1.00 0.00 H new ATOM 0 H3' A B 215 -51.367 0.612 5.930 1.00 0.00 H new ATOM 0 H2' A B 215 -51.714 3.058 6.179 1.00 0.00 H new ATOM 0 HO2' A B 215 -51.618 2.117 8.590 1.00 0.00 H new ATOM 0 H1' A B 215 -49.305 3.913 6.433 1.00 0.00 H new ATOM 0 H8 A B 215 -47.634 1.582 4.599 1.00 0.00 H new ATOM 0 H61 A B 215 -50.692 3.236 -0.569 1.00 0.00 H new ATOM 0 H62 A B 215 -49.276 2.384 0.053 1.00 0.00 H new ATOM 0 H2 A B 215 -52.944 4.811 3.009 1.00 0.00 H new ATOM 1370 P C B 216 -52.583 -0.743 7.762 1.00 0.00 P ATOM 1371 OP1 C B 216 -53.468 -0.863 8.941 1.00 0.00 O ATOM 1372 OP2 C B 216 -51.791 -1.933 7.378 1.00 0.00 O ATOM 1373 O5' C B 216 -53.484 -0.323 6.508 1.00 0.00 O ATOM 1374 C5' C B 216 -54.057 0.981 6.446 1.00 0.00 C ATOM 1375 C4' C B 216 -54.582 1.252 5.054 1.00 0.00 C ATOM 1376 O4' C B 216 -54.307 1.889 4.213 1.00 0.00 O ATOM 1377 C3' C B 216 -55.514 0.172 4.510 1.00 0.00 C ATOM 1378 O3' C B 216 -56.838 0.407 4.985 1.00 0.00 O ATOM 1379 C2' C B 216 -55.433 0.294 3.015 1.00 0.00 C ATOM 1380 O2' C B 216 -56.770 0.561 2.653 1.00 0.00 O ATOM 1381 C1' C B 216 -54.470 1.470 2.877 1.00 0.00 C ATOM 1382 N1 C B 216 -53.173 1.100 2.271 1.00 0.00 N ATOM 1383 C2 C B 216 -53.030 1.268 0.894 1.00 0.00 C ATOM 1384 O2 C B 216 -53.986 1.712 0.250 1.00 0.00 O ATOM 1385 N3 C B 216 -51.859 0.938 0.320 1.00 0.00 N ATOM 1386 C4 C B 216 -50.850 0.465 1.022 1.00 0.00 C ATOM 1387 N4 C B 216 -49.703 0.146 0.437 1.00 0.00 N ATOM 1388 C5 C B 216 -50.972 0.282 2.451 1.00 0.00 C ATOM 1389 C6 C B 216 -52.145 0.614 3.009 1.00 0.00 C ATOM 0 H5' C B 216 -53.310 1.728 6.713 1.00 0.00 H new ATOM 0 H5'' C B 216 -54.866 1.066 7.171 1.00 0.00 H new ATOM 0 H4' C B 216 -54.549 2.151 5.670 1.00 0.00 H new ATOM 0 H3' C B 216 -55.236 -0.832 4.832 1.00 0.00 H new ATOM 0 H2' C B 216 -55.083 -0.537 2.402 1.00 0.00 H new ATOM 0 HO2' C B 216 -57.267 0.869 3.440 1.00 0.00 H new ATOM 0 H1' C B 216 -54.855 2.240 2.208 1.00 0.00 H new ATOM 0 H41 C B 216 -48.931 -0.219 0.994 1.00 0.00 H new ATOM 0 H42 C B 216 -49.593 0.266 -0.570 1.00 0.00 H new ATOM 0 H5 C B 216 -50.155 -0.105 3.042 1.00 0.00 H new ATOM 0 H6 C B 216 -52.274 0.491 4.074 1.00 0.00 H new ATOM 1401 P G B 217 -57.697 -0.800 5.590 1.00 0.00 P ATOM 1402 OP1 G B 217 -59.075 -0.338 5.870 1.00 0.00 O ATOM 1403 OP2 G B 217 -56.951 -1.435 6.699 1.00 0.00 O ATOM 1404 O5' G B 217 -57.761 -1.840 4.376 1.00 0.00 O ATOM 1405 C5' G B 217 -58.645 -1.606 3.282 1.00 0.00 C ATOM 1406 C4' G B 217 -58.209 -2.413 2.080 1.00 0.00 C ATOM 1407 O4' G B 217 -57.467 -2.196 1.222 1.00 0.00 O ATOM 1408 C3' G B 217 -58.139 -3.917 2.321 1.00 0.00 C ATOM 1409 O3' G B 217 -59.459 -4.433 2.478 1.00 0.00 O ATOM 1410 C2' G B 217 -57.466 -4.485 1.102 1.00 0.00 C ATOM 1411 O2' G B 217 -58.552 -4.983 0.353 1.00 0.00 O ATOM 1412 C1' G B 217 -56.799 -3.233 0.537 1.00 0.00 C ATOM 1413 N9 G B 217 -55.343 -3.182 0.781 1.00 0.00 N ATOM 1414 C8 G B 217 -54.714 -2.862 1.932 1.00 0.00 C ATOM 1415 N7 G B 217 -53.391 -2.909 1.824 1.00 0.00 N ATOM 1416 C5 G B 217 -53.180 -3.280 0.523 1.00 0.00 C ATOM 1417 C6 G B 217 -51.992 -3.501 -0.205 1.00 0.00 C ATOM 1418 O6 G B 217 -50.852 -3.388 0.241 1.00 0.00 O ATOM 1419 N1 G B 217 -52.116 -3.870 -1.509 1.00 0.00 N ATOM 1420 C2 G B 217 -53.358 -4.002 -2.027 1.00 0.00 C ATOM 1421 N2 G B 217 -53.312 -4.365 -3.306 1.00 0.00 N ATOM 1422 N3 G B 217 -54.551 -3.818 -1.429 1.00 0.00 N ATOM 1423 C4 G B 217 -54.358 -3.453 -0.132 1.00 0.00 C ATOM 0 H5' G B 217 -58.655 -0.545 3.033 1.00 0.00 H new ATOM 0 H5'' G B 217 -59.663 -1.877 3.562 1.00 0.00 H new ATOM 0 H4' G B 217 -59.042 -1.862 1.643 1.00 0.00 H new ATOM 0 H3' G B 217 -57.587 -4.177 3.225 1.00 0.00 H new ATOM 0 H2' G B 217 -56.728 -5.283 1.188 1.00 0.00 H new ATOM 0 HO2' G B 217 -59.384 -4.849 0.854 1.00 0.00 H new ATOM 0 H1' G B 217 -56.879 -3.179 -0.549 1.00 0.00 H new ATOM 0 H8 G B 217 -55.231 -2.596 2.842 1.00 0.00 H new ATOM 0 H1 G B 217 -51.291 -4.043 -2.083 1.00 0.00 H new ATOM 0 H21 G B 217 -54.177 -4.503 -3.828 1.00 0.00 H new ATOM 0 H22 G B 217 -52.412 -4.506 -3.764 1.00 0.00 H new ATOM 1435 P C B 218 -59.726 -5.663 3.467 1.00 0.00 P ATOM 1436 OP1 C B 218 -61.166 -6.002 3.465 1.00 0.00 O ATOM 1437 OP2 C B 218 -59.089 -5.396 4.776 1.00 0.00 O ATOM 1438 O5' C B 218 -58.934 -6.864 2.768 1.00 0.00 O ATOM 1439 C5' C B 218 -59.460 -7.476 1.591 1.00 0.00 C ATOM 1440 C4' C B 218 -58.333 -7.996 0.728 1.00 0.00 C ATOM 1441 O4' C B 218 -57.329 -7.338 0.089 1.00 0.00 O ATOM 1442 C3' C B 218 -57.510 -9.109 1.369 1.00 0.00 C ATOM 1443 O3' C B 218 -58.344 -10.239 1.609 1.00 0.00 O ATOM 1444 C2' C B 218 -56.427 -9.424 0.374 1.00 0.00 C ATOM 1445 O2' C B 218 -57.073 -10.301 -0.521 1.00 0.00 O ATOM 1446 C1' C B 218 -56.128 -8.032 -0.172 1.00 0.00 C ATOM 1447 N1 C B 218 -54.978 -7.374 0.482 1.00 0.00 N ATOM 1448 C2 C B 218 -53.774 -7.327 -0.218 1.00 0.00 C ATOM 1449 O2 C B 218 -53.724 -7.832 -1.344 1.00 0.00 O ATOM 1450 N3 C B 218 -52.713 -6.734 0.358 1.00 0.00 N ATOM 1451 C4 C B 218 -52.784 -6.200 1.560 1.00 0.00 C ATOM 1452 N4 C B 218 -51.725 -5.620 2.112 1.00 0.00 N ATOM 1453 C5 C B 218 -54.020 -6.235 2.308 1.00 0.00 C ATOM 1454 C6 C B 218 -55.069 -6.830 1.721 1.00 0.00 C ATOM 0 H5' C B 218 -60.054 -6.754 1.031 1.00 0.00 H new ATOM 0 H5'' C B 218 -60.127 -8.294 1.864 1.00 0.00 H new ATOM 0 H4' C B 218 -59.105 -8.138 -0.028 1.00 0.00 H new ATOM 0 H3' C B 218 -57.084 -8.822 2.330 1.00 0.00 H new ATOM 0 H2' C B 218 -55.497 -9.898 0.688 1.00 0.00 H new ATOM 0 HO2' C B 218 -58.012 -10.403 -0.259 1.00 0.00 H new ATOM 0 H1' C B 218 -55.841 -8.058 -1.223 1.00 0.00 H new ATOM 0 H41 C B 218 -51.795 -5.211 3.044 1.00 0.00 H new ATOM 0 H42 C B 218 -50.841 -5.584 1.604 1.00 0.00 H new ATOM 0 H5 C B 218 -54.096 -5.802 3.294 1.00 0.00 H new ATOM 0 H6 C B 218 -56.010 -6.877 2.249 1.00 0.00 H new ATOM 1466 P C B 219 -58.157 -11.104 2.941 1.00 0.00 P ATOM 1467 OP1 C B 219 -59.438 -11.753 3.300 1.00 0.00 O ATOM 1468 OP2 C B 219 -57.494 -10.283 3.980 1.00 0.00 O ATOM 1469 O5' C B 219 -57.134 -12.247 2.488 1.00 0.00 O ATOM 1470 C5' C B 219 -57.270 -12.858 1.207 1.00 0.00 C ATOM 1471 C4' C B 219 -55.918 -13.312 0.701 1.00 0.00 C ATOM 1472 O4' C B 219 -55.065 -12.342 0.184 1.00 0.00 O ATOM 1473 C3' C B 219 -54.984 -13.840 1.787 1.00 0.00 C ATOM 1474 O3' C B 219 -55.374 -15.177 2.138 1.00 0.00 O ATOM 1475 C2' C B 219 -53.610 -13.805 1.178 1.00 0.00 C ATOM 1476 O2' C B 219 -53.586 -14.981 0.400 1.00 0.00 O ATOM 1477 C1' C B 219 -53.679 -12.499 0.392 1.00 0.00 C ATOM 1478 N1 C B 219 -53.114 -11.343 1.118 1.00 0.00 N ATOM 1479 C2 C B 219 -51.851 -10.893 0.735 1.00 0.00 C ATOM 1480 O2 C B 219 -51.268 -11.475 -0.185 1.00 0.00 O ATOM 1481 N3 C B 219 -51.315 -9.841 1.382 1.00 0.00 N ATOM 1482 C4 C B 219 -51.950 -9.231 2.362 1.00 0.00 C ATOM 1483 N4 C B 219 -51.404 -8.196 2.988 1.00 0.00 N ATOM 1484 C5 C B 219 -53.259 -9.678 2.778 1.00 0.00 C ATOM 1485 C6 C B 219 -53.781 -10.727 2.124 1.00 0.00 C ATOM 0 H5' C B 219 -57.712 -12.152 0.504 1.00 0.00 H new ATOM 0 H5'' C B 219 -57.947 -13.709 1.272 1.00 0.00 H new ATOM 0 H4' C B 219 -56.281 -14.026 -0.038 1.00 0.00 H new ATOM 0 H3' C B 219 -55.016 -13.250 2.703 1.00 0.00 H new ATOM 0 H2' C B 219 -52.718 -13.804 1.804 1.00 0.00 H new ATOM 0 HO2' C B 219 -54.218 -15.632 0.771 1.00 0.00 H new ATOM 0 HO3' C B 219 -54.776 -15.520 2.834 1.00 0.00 H new ATOM 0 H1' C B 219 -53.088 -12.539 -0.523 1.00 0.00 H new ATOM 0 H41 C B 219 -51.908 -7.734 3.745 1.00 0.00 H new ATOM 0 H42 C B 219 -50.480 -7.863 2.712 1.00 0.00 H new ATOM 0 H5 C B 219 -53.794 -9.190 3.579 1.00 0.00 H new ATOM 0 H6 C B 219 -54.758 -11.090 2.407 1.00 0.00 H new TER 1497 C B 219 HETATM 1498 ZN ZN A 128 -51.180 11.288 6.768 1.00 0.00 ZN HETATM 1499 ZN ZN A 149 -53.477 28.181 1.828 1.00 0.00 ZN