USER MOD reduce.3.24.130724 H: found=0, std=0, add=648, 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 NoAdj-H: B 201 CG1 H4' : B 201 CG1 C4' : B 201 CG1 C5' :(H bumps) USER MOD Set 1.1: A 27 ASN :FLIP amide:sc= -4.25! C(o=-7.9!,f=-4.8!) USER MOD Set 1.2: B 213 G O2' : rot -28:sc= -0.554 USER MOD Set 2.1: A 26 LYS NZ :NH3+ 154:sc= -2.62! (180deg=-4.87!) USER MOD Set 2.2: B 211 G O2' : rot 88:sc= -1.04! USER MOD Set 2.3: B 212 A O2' : rot -148:sc= -1.08! USER MOD Set 3.1: B 207 U O2' : rot 116:sc= 1.56 USER MOD Set 3.2: B 209 G O2' : rot -51:sc= 0.328 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 3 LYS NZ :NH3+ 165:sc= 0.683 (180deg=0.542) USER MOD Single : A 5 ASN : amide:sc= -0.234 K(o=-0.23,f=-1.7!) USER MOD Single : A 8 ASN :FLIP amide:sc= 0.231 F(o=-2!,f=0.23) USER MOD Single : A 9 GLN : amide:sc= 0.135 K(o=0.13,f=-2.3!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 95:sc= 0.902 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN :FLIP amide:sc= -0.164 F(o=-0.98,f=-0.16) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0215) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -173:sc= 1.2 (180deg=1.09) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -6.97! C(o=-7!,f=-21!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.00141 USER MOD Single : A 53 GLN : amide:sc= -6.3! C(o=-6.3!,f=-8.7!) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : B 201 CG1 O2' : rot -155:sc= -1.24 USER MOD Single : B 202 G O2' : rot -21:sc= 0.214 USER MOD Single : B 203 C O2' : rot -16:sc= 0.75 USER MOD Single : B 204 G O2' : rot 1:sc= -2.23! USER MOD Single : B 205 A O2' : rot -128:sc= 0.71 USER MOD Single : B 206 C O2' : rot -81:sc= 1.3 USER MOD Single : B 208 G O2' : rot -2:sc= 0.752 USER MOD Single : B 210 U O2' : rot -175:sc= 0.981 USER MOD Single : B 214 U O2' : rot -58:sc= 1.05 USER MOD Single : B 215 A O2' : rot -22:sc= 0.0913 USER MOD Single : B 216 C O2' : rot 32:sc= -0.396 USER MOD Single : B 217 G O2' : rot -137:sc= 1.17 USER MOD Single : B 218 C O2' : rot -109:sc= 0.786 USER MOD Single : B 219 C O2' : rot -27:sc= 0.492 USER MOD Single : B 219 C O3' : rot 180:sc= 0.307 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -28.620 3.024 5.184 1.00 0.00 N ATOM 2 CA MET A 1 -27.531 3.982 5.274 1.00 0.00 C ATOM 3 C MET A 1 -27.920 5.174 6.152 1.00 0.00 C ATOM 4 O MET A 1 -27.230 5.488 7.119 1.00 0.00 O ATOM 5 CB MET A 1 -27.169 4.478 3.873 1.00 0.00 C ATOM 6 CG MET A 1 -25.777 5.112 3.857 1.00 0.00 C ATOM 7 SD MET A 1 -24.595 3.974 3.156 1.00 0.00 S ATOM 8 CE MET A 1 -23.086 4.889 3.425 1.00 0.00 C ATOM 0 H1 MET A 1 -28.331 2.226 4.583 1.00 0.00 H new ATOM 0 H2 MET A 1 -28.855 2.675 6.135 1.00 0.00 H new ATOM 0 H3 MET A 1 -29.455 3.485 4.769 1.00 0.00 H new ATOM 0 HA MET A 1 -26.673 3.485 5.726 1.00 0.00 H new ATOM 0 HB2 MET A 1 -27.201 3.646 3.169 1.00 0.00 H new ATOM 0 HB3 MET A 1 -27.908 5.207 3.539 1.00 0.00 H new ATOM 0 HG2 MET A 1 -25.795 6.034 3.276 1.00 0.00 H new ATOM 0 HG3 MET A 1 -25.479 5.380 4.871 1.00 0.00 H new ATOM 0 HE1 MET A 1 -22.241 4.317 3.043 1.00 0.00 H new ATOM 0 HE2 MET A 1 -23.143 5.845 2.905 1.00 0.00 H new ATOM 0 HE3 MET A 1 -22.952 5.064 4.492 1.00 0.00 H new ATOM 18 N GLN A 2 -29.026 5.804 5.782 1.00 0.00 N ATOM 19 CA GLN A 2 -29.515 6.953 6.523 1.00 0.00 C ATOM 20 C GLN A 2 -31.045 6.946 6.565 1.00 0.00 C ATOM 21 O GLN A 2 -31.640 6.914 7.641 1.00 0.00 O ATOM 22 CB GLN A 2 -28.990 8.258 5.921 1.00 0.00 C ATOM 23 CG GLN A 2 -27.594 8.586 6.455 1.00 0.00 C ATOM 24 CD GLN A 2 -26.848 9.524 5.504 1.00 0.00 C ATOM 25 OE1 GLN A 2 -26.870 10.736 5.643 1.00 0.00 O ATOM 26 NE2 GLN A 2 -26.191 8.898 4.532 1.00 0.00 N ATOM 0 H GLN A 2 -29.597 5.540 4.979 1.00 0.00 H new ATOM 0 HA GLN A 2 -29.142 6.886 7.545 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -28.957 8.174 4.835 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -29.674 9.073 6.157 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -27.677 9.050 7.438 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -27.025 7.665 6.584 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -26.215 7.880 4.474 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -25.663 9.436 3.844 1.00 0.00 H new ATOM 35 N LYS A 3 -31.638 6.976 5.380 1.00 0.00 N ATOM 36 CA LYS A 3 -33.086 6.973 5.268 1.00 0.00 C ATOM 37 C LYS A 3 -33.645 5.732 5.966 1.00 0.00 C ATOM 38 O LYS A 3 -34.821 5.693 6.325 1.00 0.00 O ATOM 39 CB LYS A 3 -33.511 7.098 3.803 1.00 0.00 C ATOM 40 CG LYS A 3 -34.225 8.428 3.552 1.00 0.00 C ATOM 41 CD LYS A 3 -33.833 9.012 2.193 1.00 0.00 C ATOM 42 CE LYS A 3 -33.634 10.526 2.283 1.00 0.00 C ATOM 43 NZ LYS A 3 -34.756 11.237 1.629 1.00 0.00 N ATOM 0 H LYS A 3 -31.141 7.002 4.489 1.00 0.00 H new ATOM 0 HA LYS A 3 -33.508 7.841 5.774 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -32.635 7.024 3.159 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -34.171 6.271 3.540 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -35.304 8.279 3.590 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -33.973 9.135 4.342 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -32.915 8.541 1.842 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -34.607 8.786 1.459 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -33.564 10.828 3.328 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -32.693 10.804 1.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -34.745 12.238 1.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -34.656 11.168 0.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -35.657 10.805 1.919 1.00 0.00 H new ATOM 57 N GLY A 4 -32.775 4.746 6.137 1.00 0.00 N ATOM 58 CA GLY A 4 -33.168 3.506 6.785 1.00 0.00 C ATOM 59 C GLY A 4 -33.671 3.766 8.206 1.00 0.00 C ATOM 60 O GLY A 4 -34.343 2.921 8.794 1.00 0.00 O ATOM 0 H GLY A 4 -31.800 4.781 5.838 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -33.950 3.019 6.202 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -32.320 2.822 6.815 1.00 0.00 H new ATOM 64 N ASN A 5 -33.324 4.939 8.717 1.00 0.00 N ATOM 65 CA ASN A 5 -33.731 5.319 10.059 1.00 0.00 C ATOM 66 C ASN A 5 -35.257 5.276 10.155 1.00 0.00 C ATOM 67 O ASN A 5 -35.807 4.919 11.197 1.00 0.00 O ATOM 68 CB ASN A 5 -33.277 6.743 10.389 1.00 0.00 C ATOM 69 CG ASN A 5 -32.527 6.785 11.721 1.00 0.00 C ATOM 70 OD1 ASN A 5 -31.944 5.809 12.165 1.00 0.00 O ATOM 71 ND2 ASN A 5 -32.572 7.966 12.330 1.00 0.00 N ATOM 0 H ASN A 5 -32.766 5.638 8.226 1.00 0.00 H new ATOM 0 HA ASN A 5 -33.273 4.622 10.761 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -32.633 7.117 9.593 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -34.143 7.403 10.434 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -32.100 8.097 13.225 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -33.078 8.741 11.902 1.00 0.00 H new ATOM 78 N PHE A 6 -35.899 5.642 9.056 1.00 0.00 N ATOM 79 CA PHE A 6 -37.351 5.649 9.003 1.00 0.00 C ATOM 80 C PHE A 6 -37.916 4.255 9.285 1.00 0.00 C ATOM 81 O PHE A 6 -39.108 4.106 9.548 1.00 0.00 O ATOM 82 CB PHE A 6 -37.746 6.070 7.586 1.00 0.00 C ATOM 83 CG PHE A 6 -39.118 5.557 7.145 1.00 0.00 C ATOM 84 CD1 PHE A 6 -40.232 5.913 7.838 1.00 0.00 C ATOM 85 CD2 PHE A 6 -39.223 4.745 6.059 1.00 0.00 C ATOM 86 CE1 PHE A 6 -41.506 5.437 7.428 1.00 0.00 C ATOM 87 CE2 PHE A 6 -40.497 4.269 5.649 1.00 0.00 C ATOM 88 CZ PHE A 6 -41.611 4.626 6.342 1.00 0.00 C ATOM 0 H PHE A 6 -35.440 5.936 8.194 1.00 0.00 H new ATOM 0 HA PHE A 6 -37.747 6.332 9.755 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -37.740 7.158 7.526 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -36.992 5.708 6.887 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -40.148 6.558 8.700 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -38.338 4.462 5.508 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -42.391 5.719 7.979 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -40.581 3.624 4.787 1.00 0.00 H new ATOM 0 HZ PHE A 6 -42.580 4.265 6.030 1.00 0.00 H new ATOM 98 N ARG A 7 -37.033 3.270 9.221 1.00 0.00 N ATOM 99 CA ARG A 7 -37.429 1.893 9.466 1.00 0.00 C ATOM 100 C ARG A 7 -38.086 1.766 10.842 1.00 0.00 C ATOM 101 O ARG A 7 -38.771 0.784 11.119 1.00 0.00 O ATOM 102 CB ARG A 7 -36.224 0.953 9.394 1.00 0.00 C ATOM 103 CG ARG A 7 -35.779 0.741 7.946 1.00 0.00 C ATOM 104 CD ARG A 7 -34.500 -0.098 7.882 1.00 0.00 C ATOM 105 NE ARG A 7 -33.904 -0.009 6.531 1.00 0.00 N ATOM 106 CZ ARG A 7 -32.862 -0.744 6.120 1.00 0.00 C ATOM 107 NH1 ARG A 7 -32.294 -1.627 6.954 1.00 0.00 N ATOM 108 NH2 ARG A 7 -32.388 -0.597 4.875 1.00 0.00 N ATOM 0 H ARG A 7 -36.045 3.397 9.003 1.00 0.00 H new ATOM 0 HA ARG A 7 -38.143 1.610 8.692 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -35.400 1.368 9.974 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -36.479 -0.006 9.844 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -36.572 0.244 7.387 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -35.609 1.706 7.469 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -33.787 0.254 8.627 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -34.725 -1.137 8.122 1.00 0.00 H new ATOM 0 HE ARG A 7 -34.312 0.653 5.871 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -32.655 -1.739 7.901 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -31.501 -2.187 6.641 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -32.821 0.074 4.241 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -31.595 -1.157 4.562 1.00 0.00 H new ATOM 122 N ASN A 8 -37.853 2.775 11.669 1.00 0.00 N ATOM 123 CA ASN A 8 -38.412 2.789 13.009 1.00 0.00 C ATOM 124 C ASN A 8 -39.939 2.756 12.920 1.00 0.00 C ATOM 125 O ASN A 8 -40.618 2.493 13.912 1.00 0.00 O ATOM 126 CB ASN A 8 -38.010 4.059 13.761 1.00 0.00 C ATOM 127 CG ASN A 8 -38.545 5.306 13.057 1.00 0.00 C ATOM 128 OD1 ASN A 8 -39.835 5.542 13.281 1.00 0.00 O flip ATOM 129 ND2 ASN A 8 -37.835 6.009 12.357 1.00 0.00 N flip ATOM 0 H ASN A 8 -37.284 3.589 11.436 1.00 0.00 H new ATOM 0 HA ASN A 8 -38.030 1.918 13.542 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -38.395 4.019 14.780 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -36.924 4.115 13.832 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -36.852 5.771 12.227 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -38.225 6.835 11.902 1.00 0.00 H new ATOM 136 N GLN A 9 -40.436 3.029 11.722 1.00 0.00 N ATOM 137 CA GLN A 9 -41.870 3.035 11.490 1.00 0.00 C ATOM 138 C GLN A 9 -42.478 1.690 11.896 1.00 0.00 C ATOM 139 O GLN A 9 -43.615 1.635 12.366 1.00 0.00 O ATOM 140 CB GLN A 9 -42.189 3.361 10.030 1.00 0.00 C ATOM 141 CG GLN A 9 -43.682 3.630 9.841 1.00 0.00 C ATOM 142 CD GLN A 9 -44.363 2.465 9.119 1.00 0.00 C ATOM 143 OE1 GLN A 9 -43.735 1.673 8.435 1.00 0.00 O ATOM 144 NE2 GLN A 9 -45.678 2.405 9.309 1.00 0.00 N ATOM 0 H GLN A 9 -39.870 3.248 10.902 1.00 0.00 H new ATOM 0 HA GLN A 9 -42.315 3.816 12.107 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -41.616 4.233 9.715 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -41.882 2.531 9.393 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -44.153 3.786 10.812 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -43.820 4.547 9.269 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -46.141 3.101 9.894 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -46.223 1.663 8.870 1.00 0.00 H new ATOM 153 N ARG A 10 -41.696 0.639 11.701 1.00 0.00 N ATOM 154 CA ARG A 10 -42.143 -0.701 12.041 1.00 0.00 C ATOM 155 C ARG A 10 -42.777 -0.711 13.434 1.00 0.00 C ATOM 156 O ARG A 10 -43.584 -1.585 13.746 1.00 0.00 O ATOM 157 CB ARG A 10 -40.980 -1.695 12.010 1.00 0.00 C ATOM 158 CG ARG A 10 -39.932 -1.346 13.069 1.00 0.00 C ATOM 159 CD ARG A 10 -38.554 -1.879 12.674 1.00 0.00 C ATOM 160 NE ARG A 10 -37.727 -2.088 13.883 1.00 0.00 N ATOM 161 CZ ARG A 10 -37.746 -3.205 14.624 1.00 0.00 C ATOM 162 NH1 ARG A 10 -38.552 -4.220 14.283 1.00 0.00 N ATOM 163 NH2 ARG A 10 -36.961 -3.307 15.704 1.00 0.00 N ATOM 0 H ARG A 10 -40.755 0.688 11.311 1.00 0.00 H new ATOM 0 HA ARG A 10 -42.882 -1.002 11.299 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -41.355 -2.704 12.183 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -40.519 -1.691 11.022 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -39.885 -0.264 13.196 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -40.227 -1.767 14.030 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -38.660 -2.817 12.129 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -38.061 -1.175 12.003 1.00 0.00 H new ATOM 0 HE ARG A 10 -37.103 -1.334 14.171 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -39.150 -4.142 13.460 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -38.567 -5.070 14.846 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -36.348 -2.534 15.964 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -36.976 -4.157 16.267 1.00 0.00 H new ATOM 177 N LYS A 11 -42.387 0.270 14.234 1.00 0.00 N ATOM 178 CA LYS A 11 -42.907 0.384 15.586 1.00 0.00 C ATOM 179 C LYS A 11 -43.818 1.611 15.675 1.00 0.00 C ATOM 180 O LYS A 11 -44.699 1.672 16.531 1.00 0.00 O ATOM 181 CB LYS A 11 -41.763 0.393 16.601 1.00 0.00 C ATOM 182 CG LYS A 11 -42.114 -0.446 17.831 1.00 0.00 C ATOM 183 CD LYS A 11 -41.126 -1.602 18.007 1.00 0.00 C ATOM 184 CE LYS A 11 -41.765 -2.935 17.614 1.00 0.00 C ATOM 185 NZ LYS A 11 -42.333 -3.608 18.803 1.00 0.00 N ATOM 0 H LYS A 11 -41.717 0.993 13.972 1.00 0.00 H new ATOM 0 HA LYS A 11 -43.516 -0.485 15.835 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -40.857 0.003 16.137 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -41.550 1.418 16.904 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -42.104 0.184 18.720 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -43.125 -0.840 17.731 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -40.241 -1.425 17.396 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -40.793 -1.646 19.044 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -42.549 -2.766 16.876 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -41.020 -3.578 17.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -42.763 -4.511 18.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -41.577 -3.787 19.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -43.059 -3.000 19.233 1.00 0.00 H new ATOM 199 N THR A 12 -43.573 2.556 14.779 1.00 0.00 N ATOM 200 CA THR A 12 -44.361 3.777 14.747 1.00 0.00 C ATOM 201 C THR A 12 -43.584 4.892 14.042 1.00 0.00 C ATOM 202 O THR A 12 -42.355 4.889 14.036 1.00 0.00 O ATOM 203 CB THR A 12 -44.755 4.125 16.183 1.00 0.00 C ATOM 204 OG1 THR A 12 -46.059 3.572 16.328 1.00 0.00 O ATOM 205 CG2 THR A 12 -44.961 5.627 16.387 1.00 0.00 C ATOM 0 H THR A 12 -42.841 2.501 14.071 1.00 0.00 H new ATOM 0 HA THR A 12 -45.275 3.643 14.169 1.00 0.00 H new ATOM 0 HB THR A 12 -43.984 3.769 16.867 1.00 0.00 H new ATOM 0 HG1 THR A 12 -45.993 2.678 16.724 1.00 0.00 H new ATOM 0 HG21 THR A 12 -45.239 5.819 17.423 1.00 0.00 H new ATOM 0 HG22 THR A 12 -44.036 6.156 16.156 1.00 0.00 H new ATOM 0 HG23 THR A 12 -45.754 5.978 15.727 1.00 0.00 H new ATOM 213 N VAL A 13 -44.336 5.820 13.468 1.00 0.00 N ATOM 214 CA VAL A 13 -43.734 6.940 12.764 1.00 0.00 C ATOM 215 C VAL A 13 -44.572 8.197 13.004 1.00 0.00 C ATOM 216 O VAL A 13 -45.528 8.172 13.778 1.00 0.00 O ATOM 217 CB VAL A 13 -43.579 6.601 11.279 1.00 0.00 C ATOM 218 CG1 VAL A 13 -44.893 6.817 10.527 1.00 0.00 C ATOM 219 CG2 VAL A 13 -42.445 7.411 10.648 1.00 0.00 C ATOM 0 H VAL A 13 -45.356 5.819 13.476 1.00 0.00 H new ATOM 0 HA VAL A 13 -42.733 7.138 13.146 1.00 0.00 H new ATOM 0 HB VAL A 13 -43.320 5.545 11.201 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -44.755 6.569 9.475 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -45.665 6.176 10.953 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -45.197 7.860 10.617 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -42.356 7.151 9.593 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -42.661 8.475 10.743 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -41.509 7.184 11.158 1.00 0.00 H new ATOM 229 N LYS A 14 -44.182 9.268 12.328 1.00 0.00 N ATOM 230 CA LYS A 14 -44.883 10.533 12.459 1.00 0.00 C ATOM 231 C LYS A 14 -45.182 11.092 11.066 1.00 0.00 C ATOM 232 O LYS A 14 -44.290 11.182 10.225 1.00 0.00 O ATOM 233 CB LYS A 14 -44.096 11.494 13.350 1.00 0.00 C ATOM 234 CG LYS A 14 -44.760 12.872 13.393 1.00 0.00 C ATOM 235 CD LYS A 14 -44.699 13.467 14.802 1.00 0.00 C ATOM 236 CE LYS A 14 -46.045 14.073 15.199 1.00 0.00 C ATOM 237 NZ LYS A 14 -45.875 15.027 16.318 1.00 0.00 N ATOM 0 H LYS A 14 -43.388 9.285 11.687 1.00 0.00 H new ATOM 0 HA LYS A 14 -45.841 10.386 12.958 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -44.029 11.087 14.359 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -43.076 11.589 12.976 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -44.263 13.541 12.690 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -45.799 12.789 13.074 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -44.420 12.692 15.516 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -43.925 14.233 14.844 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -46.487 14.583 14.343 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -46.735 13.281 15.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -46.799 15.429 16.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -45.473 14.531 17.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -45.233 15.792 16.027 1.00 0.00 H new ATOM 251 N CYS A 15 -46.442 11.452 10.866 1.00 0.00 N ATOM 252 CA CYS A 15 -46.869 12.000 9.589 1.00 0.00 C ATOM 253 C CYS A 15 -46.802 13.526 9.674 1.00 0.00 C ATOM 254 O CYS A 15 -47.581 14.145 10.398 1.00 0.00 O ATOM 255 CB CYS A 15 -48.266 11.511 9.204 1.00 0.00 C ATOM 256 SG CYS A 15 -48.649 12.003 7.483 1.00 0.00 S ATOM 0 H CYS A 15 -47.180 11.375 11.566 1.00 0.00 H new ATOM 0 HA CYS A 15 -46.203 11.652 8.800 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -48.321 10.427 9.302 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -49.007 11.930 9.884 1.00 0.00 H new ATOM 261 N PHE A 16 -45.865 14.089 8.927 1.00 0.00 N ATOM 262 CA PHE A 16 -45.686 15.530 8.908 1.00 0.00 C ATOM 263 C PHE A 16 -46.662 16.192 7.933 1.00 0.00 C ATOM 264 O PHE A 16 -46.540 17.380 7.639 1.00 0.00 O ATOM 265 CB PHE A 16 -44.254 15.798 8.441 1.00 0.00 C ATOM 266 CG PHE A 16 -44.119 15.988 6.928 1.00 0.00 C ATOM 267 CD1 PHE A 16 -44.874 15.240 6.078 1.00 0.00 C ATOM 268 CD2 PHE A 16 -43.246 16.906 6.433 1.00 0.00 C ATOM 269 CE1 PHE A 16 -44.748 15.417 4.675 1.00 0.00 C ATOM 270 CE2 PHE A 16 -43.122 17.083 5.029 1.00 0.00 C ATOM 271 CZ PHE A 16 -43.876 16.335 4.180 1.00 0.00 C ATOM 0 H PHE A 16 -45.220 13.572 8.329 1.00 0.00 H new ATOM 0 HA PHE A 16 -45.873 15.941 9.900 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -43.879 16.690 8.944 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -43.620 14.967 8.751 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -45.569 14.512 6.471 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -42.647 17.500 7.107 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -45.345 14.822 4.000 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -42.429 17.812 4.636 1.00 0.00 H new ATOM 0 HZ PHE A 16 -43.782 16.470 3.113 1.00 0.00 H new ATOM 281 N ASN A 17 -47.606 15.393 7.458 1.00 0.00 N ATOM 282 CA ASN A 17 -48.602 15.886 6.522 1.00 0.00 C ATOM 283 C ASN A 17 -49.927 16.097 7.257 1.00 0.00 C ATOM 284 O ASN A 17 -50.496 17.187 7.216 1.00 0.00 O ATOM 285 CB ASN A 17 -48.842 14.881 5.394 1.00 0.00 C ATOM 286 CG ASN A 17 -50.156 15.176 4.667 1.00 0.00 C ATOM 287 OD1 ASN A 17 -50.928 14.107 4.490 1.00 0.00 O flip ATOM 288 ND2 ASN A 17 -50.449 16.299 4.293 1.00 0.00 N flip ATOM 0 H ASN A 17 -47.702 14.408 7.704 1.00 0.00 H new ATOM 0 HA ASN A 17 -48.234 16.821 6.100 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -48.014 14.919 4.686 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -48.867 13.870 5.802 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -49.810 17.076 4.461 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -51.333 16.462 3.812 1.00 0.00 H new ATOM 295 N CYS A 18 -50.378 15.038 7.913 1.00 0.00 N ATOM 296 CA CYS A 18 -51.625 15.094 8.656 1.00 0.00 C ATOM 297 C CYS A 18 -51.306 15.467 10.105 1.00 0.00 C ATOM 298 O CYS A 18 -52.067 16.188 10.747 1.00 0.00 O ATOM 299 CB CYS A 18 -52.398 13.777 8.563 1.00 0.00 C ATOM 300 SG CYS A 18 -51.507 12.463 9.476 1.00 0.00 S ATOM 0 H CYS A 18 -49.902 14.136 7.945 1.00 0.00 H new ATOM 0 HA CYS A 18 -52.276 15.853 8.222 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -53.399 13.903 8.975 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -52.518 13.489 7.519 1.00 0.00 H new ATOM 305 N GLY A 19 -50.176 14.960 10.577 1.00 0.00 N ATOM 306 CA GLY A 19 -49.746 15.231 11.938 1.00 0.00 C ATOM 307 C GLY A 19 -50.162 14.100 12.880 1.00 0.00 C ATOM 308 O GLY A 19 -50.494 14.344 14.040 1.00 0.00 O ATOM 0 H GLY A 19 -49.546 14.363 10.041 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -48.663 15.351 11.964 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -50.179 16.171 12.280 1.00 0.00 H new ATOM 312 N LYS A 20 -50.131 12.887 12.348 1.00 0.00 N ATOM 313 CA LYS A 20 -50.503 11.718 13.128 1.00 0.00 C ATOM 314 C LYS A 20 -49.395 10.668 13.020 1.00 0.00 C ATOM 315 O LYS A 20 -48.723 10.571 11.995 1.00 0.00 O ATOM 316 CB LYS A 20 -51.880 11.206 12.702 1.00 0.00 C ATOM 317 CG LYS A 20 -52.779 10.977 13.918 1.00 0.00 C ATOM 318 CD LYS A 20 -53.889 9.973 13.600 1.00 0.00 C ATOM 319 CE LYS A 20 -54.613 9.534 14.874 1.00 0.00 C ATOM 320 NZ LYS A 20 -56.080 9.574 14.677 1.00 0.00 N ATOM 0 H LYS A 20 -49.854 12.688 11.387 1.00 0.00 H new ATOM 0 HA LYS A 20 -50.598 11.976 14.183 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -52.348 11.925 12.030 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -51.770 10.275 12.146 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -52.181 10.611 14.753 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -53.219 11.923 14.232 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -54.602 10.421 12.908 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -53.464 9.102 13.100 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -54.304 8.525 15.145 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -54.333 10.186 15.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -56.556 9.273 15.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -56.372 10.544 14.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -56.344 8.933 13.901 1.00 0.00 H new ATOM 334 N GLU A 21 -49.240 9.907 14.094 1.00 0.00 N ATOM 335 CA GLU A 21 -48.226 8.867 14.134 1.00 0.00 C ATOM 336 C GLU A 21 -48.801 7.545 13.622 1.00 0.00 C ATOM 337 O GLU A 21 -50.017 7.361 13.596 1.00 0.00 O ATOM 338 CB GLU A 21 -47.659 8.708 15.546 1.00 0.00 C ATOM 339 CG GLU A 21 -48.740 8.240 16.521 1.00 0.00 C ATOM 340 CD GLU A 21 -49.330 9.422 17.295 1.00 0.00 C ATOM 341 OE1 GLU A 21 -48.536 10.321 17.646 1.00 0.00 O ATOM 342 OE2 GLU A 21 -50.560 9.398 17.517 1.00 0.00 O ATOM 0 H GLU A 21 -49.800 9.990 14.943 1.00 0.00 H new ATOM 0 HA GLU A 21 -47.406 9.161 13.480 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -46.839 7.989 15.534 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -47.245 9.658 15.885 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -49.531 7.728 15.974 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -48.317 7.518 17.220 1.00 0.00 H new ATOM 349 N GLY A 22 -47.900 6.658 13.226 1.00 0.00 N ATOM 350 CA GLY A 22 -48.302 5.359 12.716 1.00 0.00 C ATOM 351 C GLY A 22 -47.935 5.211 11.238 1.00 0.00 C ATOM 352 O GLY A 22 -47.630 4.113 10.777 1.00 0.00 O ATOM 0 H GLY A 22 -46.892 6.814 13.248 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -47.819 4.572 13.295 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -49.377 5.232 12.842 1.00 0.00 H new ATOM 356 N HIS A 23 -47.976 6.334 10.537 1.00 0.00 N ATOM 357 CA HIS A 23 -47.650 6.345 9.121 1.00 0.00 C ATOM 358 C HIS A 23 -47.031 7.693 8.746 1.00 0.00 C ATOM 359 O HIS A 23 -46.965 8.601 9.573 1.00 0.00 O ATOM 360 CB HIS A 23 -48.881 6.003 8.279 1.00 0.00 C ATOM 361 CG HIS A 23 -49.909 7.108 8.216 1.00 0.00 C ATOM 362 ND1 HIS A 23 -51.089 7.076 8.938 1.00 0.00 N ATOM 363 CD2 HIS A 23 -49.920 8.276 7.511 1.00 0.00 C ATOM 364 CE1 HIS A 23 -51.772 8.180 8.672 1.00 0.00 C ATOM 365 NE2 HIS A 23 -51.046 8.921 7.788 1.00 0.00 N ATOM 0 H HIS A 23 -48.230 7.243 10.923 1.00 0.00 H new ATOM 0 HA HIS A 23 -46.909 5.574 8.909 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -48.560 5.762 7.266 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -49.350 5.107 8.687 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -51.383 6.330 9.568 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -49.144 8.617 6.842 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -52.735 8.446 9.083 1.00 0.00 H new ATOM 373 N ILE A 24 -46.592 7.779 7.499 1.00 0.00 N ATOM 374 CA ILE A 24 -45.979 9.001 7.004 1.00 0.00 C ATOM 375 C ILE A 24 -46.816 9.553 5.848 1.00 0.00 C ATOM 376 O ILE A 24 -47.641 8.840 5.279 1.00 0.00 O ATOM 377 CB ILE A 24 -44.514 8.756 6.643 1.00 0.00 C ATOM 378 CG1 ILE A 24 -44.374 7.567 5.690 1.00 0.00 C ATOM 379 CG2 ILE A 24 -43.659 8.587 7.900 1.00 0.00 C ATOM 380 CD1 ILE A 24 -42.916 7.363 5.278 1.00 0.00 C ATOM 0 H ILE A 24 -46.648 7.023 6.816 1.00 0.00 H new ATOM 0 HA ILE A 24 -45.967 9.765 7.781 1.00 0.00 H new ATOM 0 HB ILE A 24 -44.142 9.635 6.117 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -44.749 6.664 6.172 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -44.986 7.733 4.804 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -42.622 8.414 7.614 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -43.722 9.490 8.507 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -44.023 7.736 8.476 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -42.845 6.512 4.601 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -42.551 8.258 4.775 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -42.311 7.173 6.164 1.00 0.00 H new ATOM 392 N ALA A 25 -46.572 10.818 5.535 1.00 0.00 N ATOM 393 CA ALA A 25 -47.292 11.473 4.457 1.00 0.00 C ATOM 394 C ALA A 25 -47.160 10.639 3.180 1.00 0.00 C ATOM 395 O ALA A 25 -48.113 10.520 2.412 1.00 0.00 O ATOM 396 CB ALA A 25 -46.761 12.897 4.280 1.00 0.00 C ATOM 0 H ALA A 25 -45.886 11.406 6.009 1.00 0.00 H new ATOM 0 HA ALA A 25 -48.353 11.547 4.694 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -47.301 13.389 3.471 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -46.904 13.456 5.205 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -45.699 12.862 4.038 1.00 0.00 H new ATOM 402 N LYS A 26 -45.971 10.085 2.995 1.00 0.00 N ATOM 403 CA LYS A 26 -45.702 9.266 1.825 1.00 0.00 C ATOM 404 C LYS A 26 -46.920 8.389 1.530 1.00 0.00 C ATOM 405 O LYS A 26 -47.174 8.038 0.378 1.00 0.00 O ATOM 406 CB LYS A 26 -44.405 8.476 2.010 1.00 0.00 C ATOM 407 CG LYS A 26 -44.643 6.978 1.808 1.00 0.00 C ATOM 408 CD LYS A 26 -43.435 6.163 2.275 1.00 0.00 C ATOM 409 CE LYS A 26 -42.125 6.848 1.880 1.00 0.00 C ATOM 410 NZ LYS A 26 -40.971 6.157 2.499 1.00 0.00 N ATOM 0 H LYS A 26 -45.183 10.187 3.635 1.00 0.00 H new ATOM 0 HA LYS A 26 -45.542 9.895 0.949 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -43.656 8.828 1.301 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -44.006 8.653 3.009 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -45.530 6.669 2.361 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -44.837 6.776 0.755 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -43.472 6.038 3.357 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -43.474 5.165 1.838 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -42.019 6.845 0.795 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -42.144 7.891 2.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -40.121 6.313 1.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -40.813 6.534 3.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -41.167 5.137 2.557 1.00 0.00 H new ATOM 424 N ASN A 27 -47.642 8.060 2.591 1.00 0.00 N ATOM 425 CA ASN A 27 -48.828 7.230 2.462 1.00 0.00 C ATOM 426 C ASN A 27 -49.825 7.596 3.563 1.00 0.00 C ATOM 427 O ASN A 27 -50.220 6.743 4.357 1.00 0.00 O ATOM 428 CB ASN A 27 -48.481 5.747 2.612 1.00 0.00 C ATOM 429 CG ASN A 27 -47.202 5.563 3.430 1.00 0.00 C ATOM 430 OD1 ASN A 27 -47.129 6.344 4.503 1.00 0.00 O flip ATOM 431 ND2 ASN A 27 -46.338 4.764 3.107 1.00 0.00 N flip ATOM 0 H ASN A 27 -47.429 8.353 3.544 1.00 0.00 H new ATOM 0 HA ASN A 27 -49.254 7.403 1.474 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -49.305 5.224 3.097 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -48.355 5.298 1.627 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -46.458 4.194 2.269 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -45.496 4.666 3.675 1.00 0.00 H new ATOM 438 N CYS A 28 -50.203 8.866 3.576 1.00 0.00 N ATOM 439 CA CYS A 28 -51.146 9.356 4.567 1.00 0.00 C ATOM 440 C CYS A 28 -52.540 8.843 4.198 1.00 0.00 C ATOM 441 O CYS A 28 -52.863 8.708 3.019 1.00 0.00 O ATOM 442 CB CYS A 28 -51.109 10.882 4.676 1.00 0.00 C ATOM 443 SG CYS A 28 -52.263 11.442 5.982 1.00 0.00 S ATOM 0 H CYS A 28 -49.873 9.570 2.916 1.00 0.00 H new ATOM 0 HA CYS A 28 -50.871 8.980 5.553 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -50.097 11.214 4.906 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -51.382 11.330 3.721 1.00 0.00 H new ATOM 448 N ARG A 29 -53.327 8.574 5.228 1.00 0.00 N ATOM 449 CA ARG A 29 -54.679 8.078 5.028 1.00 0.00 C ATOM 450 C ARG A 29 -55.486 9.068 4.185 1.00 0.00 C ATOM 451 O ARG A 29 -56.350 8.665 3.407 1.00 0.00 O ATOM 452 CB ARG A 29 -55.389 7.859 6.365 1.00 0.00 C ATOM 453 CG ARG A 29 -55.544 6.367 6.665 1.00 0.00 C ATOM 454 CD ARG A 29 -56.774 5.791 5.962 1.00 0.00 C ATOM 455 NE ARG A 29 -56.386 5.213 4.655 1.00 0.00 N ATOM 456 CZ ARG A 29 -57.246 4.963 3.659 1.00 0.00 C ATOM 457 NH1 ARG A 29 -58.548 5.238 3.814 1.00 0.00 N ATOM 458 NH2 ARG A 29 -56.804 4.437 2.508 1.00 0.00 N ATOM 0 H ARG A 29 -53.055 8.690 6.204 1.00 0.00 H new ATOM 0 HA ARG A 29 -54.609 7.123 4.507 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -54.823 8.337 7.164 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -56.370 8.333 6.342 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -54.651 5.833 6.340 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -55.632 6.216 7.741 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -57.234 5.025 6.586 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -57.519 6.573 5.816 1.00 0.00 H new ATOM 0 HE ARG A 29 -55.402 4.991 4.504 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -58.884 5.638 4.690 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -59.203 5.048 3.056 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -55.813 4.227 2.391 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -57.459 4.247 1.750 1.00 0.00 H new ATOM 472 N ALA A 30 -55.177 10.343 4.368 1.00 0.00 N ATOM 473 CA ALA A 30 -55.862 11.392 3.633 1.00 0.00 C ATOM 474 C ALA A 30 -56.090 10.935 2.192 1.00 0.00 C ATOM 475 O ALA A 30 -55.166 10.945 1.380 1.00 0.00 O ATOM 476 CB ALA A 30 -55.050 12.686 3.714 1.00 0.00 C ATOM 0 H ALA A 30 -54.461 10.673 5.015 1.00 0.00 H new ATOM 0 HA ALA A 30 -56.839 11.593 4.072 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -55.564 13.473 3.162 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -54.943 12.984 4.757 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -54.063 12.524 3.280 1.00 0.00 H new ATOM 482 N PRO A 31 -57.359 10.535 1.909 1.00 0.00 N ATOM 483 CA PRO A 31 -57.720 10.074 0.579 1.00 0.00 C ATOM 484 C PRO A 31 -57.837 11.249 -0.395 1.00 0.00 C ATOM 485 O PRO A 31 -58.831 11.372 -1.108 1.00 0.00 O ATOM 486 CB PRO A 31 -59.029 9.324 0.764 1.00 0.00 C ATOM 487 CG PRO A 31 -59.588 9.786 2.100 1.00 0.00 C ATOM 488 CD PRO A 31 -58.479 10.509 2.845 1.00 0.00 C ATOM 0 HA PRO A 31 -56.963 9.425 0.139 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -59.723 9.544 -0.047 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -58.866 8.246 0.760 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -60.441 10.448 1.948 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -59.945 8.934 2.679 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -58.783 11.517 3.127 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -58.214 9.987 3.765 1.00 0.00 H new ATOM 496 N ARG A 32 -56.807 12.082 -0.393 1.00 0.00 N ATOM 497 CA ARG A 32 -56.781 13.243 -1.267 1.00 0.00 C ATOM 498 C ARG A 32 -57.832 14.263 -0.824 1.00 0.00 C ATOM 499 O ARG A 32 -58.900 13.892 -0.340 1.00 0.00 O ATOM 500 CB ARG A 32 -57.048 12.844 -2.719 1.00 0.00 C ATOM 501 CG ARG A 32 -56.125 13.603 -3.674 1.00 0.00 C ATOM 502 CD ARG A 32 -56.900 14.659 -4.464 1.00 0.00 C ATOM 503 NE ARG A 32 -56.059 15.190 -5.560 1.00 0.00 N ATOM 504 CZ ARG A 32 -56.545 15.762 -6.671 1.00 0.00 C ATOM 505 NH1 ARG A 32 -57.868 15.881 -6.838 1.00 0.00 N ATOM 506 NH2 ARG A 32 -55.707 16.216 -7.612 1.00 0.00 N ATOM 0 H ARG A 32 -55.984 11.976 0.200 1.00 0.00 H new ATOM 0 HA ARG A 32 -55.788 13.687 -1.201 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -56.898 11.771 -2.839 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -58.088 13.051 -2.971 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -55.325 14.081 -3.109 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -55.653 12.902 -4.363 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -57.812 14.223 -4.873 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -57.204 15.470 -3.802 1.00 0.00 H new ATOM 0 HE ARG A 32 -55.046 15.116 -5.464 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -58.506 15.537 -6.120 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -58.238 16.316 -7.683 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -54.699 16.127 -7.483 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -56.077 16.651 -8.457 1.00 0.00 H new ATOM 520 N LYS A 33 -57.492 15.532 -1.007 1.00 0.00 N ATOM 521 CA LYS A 33 -58.393 16.609 -0.633 1.00 0.00 C ATOM 522 C LYS A 33 -57.680 17.949 -0.814 1.00 0.00 C ATOM 523 O LYS A 33 -57.324 18.604 0.165 1.00 0.00 O ATOM 524 CB LYS A 33 -58.936 16.387 0.781 1.00 0.00 C ATOM 525 CG LYS A 33 -60.465 16.376 0.786 1.00 0.00 C ATOM 526 CD LYS A 33 -61.004 14.952 0.940 1.00 0.00 C ATOM 527 CE LYS A 33 -62.246 14.929 1.832 1.00 0.00 C ATOM 528 NZ LYS A 33 -63.361 15.657 1.186 1.00 0.00 N ATOM 0 H LYS A 33 -56.606 15.837 -1.409 1.00 0.00 H new ATOM 0 HA LYS A 33 -59.265 16.620 -1.286 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -58.561 15.442 1.174 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -58.572 17.174 1.442 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -60.834 16.998 1.601 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -60.838 16.811 -0.141 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -61.249 14.544 -0.041 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -60.233 14.312 1.368 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -62.542 13.898 2.028 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -62.017 15.383 2.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -64.220 15.560 1.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -63.114 16.663 1.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -63.534 15.260 0.241 1.00 0.00 H new ATOM 542 N LYS A 34 -57.495 18.320 -2.073 1.00 0.00 N ATOM 543 CA LYS A 34 -56.830 19.570 -2.395 1.00 0.00 C ATOM 544 C LYS A 34 -57.296 20.655 -1.422 1.00 0.00 C ATOM 545 O LYS A 34 -58.461 21.048 -1.435 1.00 0.00 O ATOM 546 CB LYS A 34 -57.049 19.930 -3.866 1.00 0.00 C ATOM 547 CG LYS A 34 -55.848 19.510 -4.717 1.00 0.00 C ATOM 548 CD LYS A 34 -56.289 19.104 -6.124 1.00 0.00 C ATOM 549 CE LYS A 34 -56.431 20.329 -7.029 1.00 0.00 C ATOM 550 NZ LYS A 34 -55.269 20.440 -7.939 1.00 0.00 N ATOM 0 H LYS A 34 -57.795 17.776 -2.882 1.00 0.00 H new ATOM 0 HA LYS A 34 -55.752 19.471 -2.272 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -57.950 19.439 -4.234 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -57.209 21.004 -3.962 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -55.136 20.333 -4.778 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -55.332 18.677 -4.239 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -55.562 18.414 -6.552 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -57.240 18.574 -6.072 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -57.350 20.254 -7.611 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -56.511 21.230 -6.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -55.382 21.277 -8.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -54.397 20.533 -7.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -55.210 19.588 -8.532 1.00 0.00 H new ATOM 564 N GLY A 35 -56.361 21.110 -0.600 1.00 0.00 N ATOM 565 CA GLY A 35 -56.661 22.141 0.379 1.00 0.00 C ATOM 566 C GLY A 35 -55.390 22.604 1.095 1.00 0.00 C ATOM 567 O GLY A 35 -54.480 21.809 1.325 1.00 0.00 O ATOM 0 H GLY A 35 -55.395 20.783 -0.592 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -57.134 22.990 -0.115 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -57.375 21.758 1.109 1.00 0.00 H new ATOM 571 N CYS A 36 -55.370 23.886 1.429 1.00 0.00 N ATOM 572 CA CYS A 36 -54.227 24.463 2.114 1.00 0.00 C ATOM 573 C CYS A 36 -54.180 23.893 3.534 1.00 0.00 C ATOM 574 O CYS A 36 -54.969 24.286 4.391 1.00 0.00 O ATOM 575 CB CYS A 36 -54.281 25.992 2.115 1.00 0.00 C ATOM 576 SG CYS A 36 -52.794 26.670 2.940 1.00 0.00 S ATOM 0 H CYS A 36 -56.128 24.541 1.238 1.00 0.00 H new ATOM 0 HA CYS A 36 -53.311 24.197 1.586 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -54.340 26.363 1.092 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -55.180 26.332 2.630 1.00 0.00 H new ATOM 581 N TRP A 37 -53.247 22.974 3.737 1.00 0.00 N ATOM 582 CA TRP A 37 -53.087 22.345 5.037 1.00 0.00 C ATOM 583 C TRP A 37 -52.118 23.199 5.859 1.00 0.00 C ATOM 584 O TRP A 37 -51.552 22.727 6.843 1.00 0.00 O ATOM 585 CB TRP A 37 -52.629 20.893 4.891 1.00 0.00 C ATOM 586 CG TRP A 37 -51.191 20.645 5.354 1.00 0.00 C ATOM 587 CD1 TRP A 37 -50.761 19.786 6.289 1.00 0.00 C ATOM 588 CD2 TRP A 37 -50.004 21.301 4.860 1.00 0.00 C ATOM 589 NE1 TRP A 37 -49.391 19.840 6.433 1.00 0.00 N ATOM 590 CE2 TRP A 37 -48.915 20.791 5.537 1.00 0.00 C ATOM 591 CE3 TRP A 37 -49.856 22.292 3.874 1.00 0.00 C ATOM 592 CZ2 TRP A 37 -47.601 21.211 5.302 1.00 0.00 C ATOM 593 CZ3 TRP A 37 -48.536 22.702 3.652 1.00 0.00 C ATOM 594 CH2 TRP A 37 -47.428 22.198 4.325 1.00 0.00 C ATOM 0 H TRP A 37 -52.594 22.650 3.023 1.00 0.00 H new ATOM 0 HA TRP A 37 -54.041 22.297 5.563 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -53.300 20.252 5.463 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -52.720 20.597 3.846 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -51.407 19.134 6.858 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -48.830 19.284 7.078 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -50.694 22.704 3.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -46.765 20.796 5.845 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -48.366 23.464 2.905 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -46.439 22.566 4.095 1.00 0.00 H new ATOM 605 N LYS A 38 -51.957 24.439 5.423 1.00 0.00 N ATOM 606 CA LYS A 38 -51.067 25.363 6.105 1.00 0.00 C ATOM 607 C LYS A 38 -51.897 26.414 6.844 1.00 0.00 C ATOM 608 O LYS A 38 -51.493 26.901 7.900 1.00 0.00 O ATOM 609 CB LYS A 38 -50.056 25.958 5.123 1.00 0.00 C ATOM 610 CG LYS A 38 -48.996 26.780 5.858 1.00 0.00 C ATOM 611 CD LYS A 38 -49.503 28.196 6.146 1.00 0.00 C ATOM 612 CE LYS A 38 -49.158 28.621 7.574 1.00 0.00 C ATOM 613 NZ LYS A 38 -50.326 29.259 8.221 1.00 0.00 N ATOM 0 H LYS A 38 -52.428 24.826 4.605 1.00 0.00 H new ATOM 0 HA LYS A 38 -50.476 24.837 6.855 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -49.575 25.157 4.561 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -50.574 26.589 4.400 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -48.732 26.287 6.794 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -48.088 26.830 5.257 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -49.060 28.896 5.437 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -50.583 28.236 6.001 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -48.844 27.752 8.152 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -48.318 29.315 7.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -50.043 29.647 9.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -50.681 30.027 7.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -51.076 28.552 8.359 1.00 0.00 H new ATOM 627 N CYS A 39 -53.044 26.732 6.263 1.00 0.00 N ATOM 628 CA CYS A 39 -53.936 27.716 6.852 1.00 0.00 C ATOM 629 C CYS A 39 -55.180 26.990 7.366 1.00 0.00 C ATOM 630 O CYS A 39 -55.643 27.253 8.475 1.00 0.00 O ATOM 631 CB CYS A 39 -54.291 28.826 5.860 1.00 0.00 C ATOM 632 SG CYS A 39 -55.205 28.124 4.438 1.00 0.00 S ATOM 0 H CYS A 39 -53.377 26.325 5.389 1.00 0.00 H new ATOM 0 HA CYS A 39 -53.436 28.211 7.684 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -54.897 29.586 6.353 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -53.383 29.319 5.512 1.00 0.00 H new ATOM 637 N GLY A 40 -55.686 26.091 6.535 1.00 0.00 N ATOM 638 CA GLY A 40 -56.869 25.325 6.891 1.00 0.00 C ATOM 639 C GLY A 40 -58.039 25.659 5.964 1.00 0.00 C ATOM 640 O GLY A 40 -59.199 25.585 6.369 1.00 0.00 O ATOM 0 H GLY A 40 -55.299 25.876 5.616 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -56.647 24.259 6.833 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -57.147 25.537 7.923 1.00 0.00 H new ATOM 644 N LYS A 41 -57.696 26.021 4.737 1.00 0.00 N ATOM 645 CA LYS A 41 -58.703 26.367 3.749 1.00 0.00 C ATOM 646 C LYS A 41 -58.549 25.455 2.529 1.00 0.00 C ATOM 647 O LYS A 41 -57.510 25.463 1.871 1.00 0.00 O ATOM 648 CB LYS A 41 -58.635 27.859 3.414 1.00 0.00 C ATOM 649 CG LYS A 41 -59.764 28.628 4.101 1.00 0.00 C ATOM 650 CD LYS A 41 -59.235 29.897 4.772 1.00 0.00 C ATOM 651 CE LYS A 41 -60.293 31.002 4.767 1.00 0.00 C ATOM 652 NZ LYS A 41 -60.810 31.231 6.136 1.00 0.00 N ATOM 0 H LYS A 41 -56.734 26.082 4.404 1.00 0.00 H new ATOM 0 HA LYS A 41 -59.703 26.199 4.149 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -57.672 28.262 3.728 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -58.701 27.996 2.335 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -60.528 28.891 3.369 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -60.242 27.991 4.845 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -58.941 29.675 5.798 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -58.341 30.242 4.252 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -59.863 31.924 4.375 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -61.113 30.726 4.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -61.527 31.984 6.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -61.239 30.355 6.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -60.028 31.515 6.759 1.00 0.00 H new ATOM 666 N GLU A 42 -59.600 24.693 2.265 1.00 0.00 N ATOM 667 CA GLU A 42 -59.595 23.778 1.137 1.00 0.00 C ATOM 668 C GLU A 42 -59.820 24.543 -0.169 1.00 0.00 C ATOM 669 O GLU A 42 -60.303 25.675 -0.154 1.00 0.00 O ATOM 670 CB GLU A 42 -60.646 22.680 1.316 1.00 0.00 C ATOM 671 CG GLU A 42 -62.059 23.267 1.306 1.00 0.00 C ATOM 672 CD GLU A 42 -62.990 22.438 0.419 1.00 0.00 C ATOM 673 OE1 GLU A 42 -62.553 22.099 -0.701 1.00 0.00 O ATOM 674 OE2 GLU A 42 -64.118 22.163 0.882 1.00 0.00 O ATOM 0 H GLU A 42 -60.460 24.691 2.813 1.00 0.00 H new ATOM 0 HA GLU A 42 -58.618 23.297 1.090 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -60.548 21.944 0.518 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -60.473 22.155 2.256 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -62.451 23.298 2.323 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -62.027 24.295 0.945 1.00 0.00 H new ATOM 681 N GLY A 43 -59.458 23.896 -1.267 1.00 0.00 N ATOM 682 CA GLY A 43 -59.614 24.502 -2.578 1.00 0.00 C ATOM 683 C GLY A 43 -58.265 24.964 -3.133 1.00 0.00 C ATOM 684 O GLY A 43 -58.081 25.037 -4.347 1.00 0.00 O ATOM 0 H GLY A 43 -59.057 22.958 -1.276 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -60.066 23.785 -3.263 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -60.294 25.351 -2.511 1.00 0.00 H new ATOM 688 N HIS A 44 -57.356 25.264 -2.217 1.00 0.00 N ATOM 689 CA HIS A 44 -56.030 25.717 -2.598 1.00 0.00 C ATOM 690 C HIS A 44 -54.976 24.979 -1.768 1.00 0.00 C ATOM 691 O HIS A 44 -55.302 24.055 -1.026 1.00 0.00 O ATOM 692 CB HIS A 44 -55.919 27.238 -2.478 1.00 0.00 C ATOM 693 CG HIS A 44 -55.717 27.730 -1.065 1.00 0.00 C ATOM 694 ND1 HIS A 44 -56.721 27.707 -0.112 1.00 0.00 N ATOM 695 CD2 HIS A 44 -54.618 28.256 -0.452 1.00 0.00 C ATOM 696 CE1 HIS A 44 -56.237 28.200 1.018 1.00 0.00 C ATOM 697 NE2 HIS A 44 -54.933 28.540 0.806 1.00 0.00 N ATOM 0 H HIS A 44 -57.512 25.202 -1.211 1.00 0.00 H new ATOM 0 HA HIS A 44 -55.849 25.479 -3.646 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -55.087 27.581 -3.093 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -56.824 27.691 -2.884 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -57.672 27.368 -0.256 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -53.654 28.415 -0.912 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -56.780 28.313 1.945 1.00 0.00 H new ATOM 705 N GLN A 45 -53.735 25.416 -1.923 1.00 0.00 N ATOM 706 CA GLN A 45 -52.633 24.808 -1.198 1.00 0.00 C ATOM 707 C GLN A 45 -51.731 25.889 -0.599 1.00 0.00 C ATOM 708 O GLN A 45 -51.905 27.074 -0.882 1.00 0.00 O ATOM 709 CB GLN A 45 -51.833 23.867 -2.102 1.00 0.00 C ATOM 710 CG GLN A 45 -51.005 24.655 -3.118 1.00 0.00 C ATOM 711 CD GLN A 45 -49.608 24.050 -3.274 1.00 0.00 C ATOM 712 OE1 GLN A 45 -48.755 24.161 -2.409 1.00 0.00 O ATOM 713 NE2 GLN A 45 -49.424 23.405 -4.423 1.00 0.00 N ATOM 0 H GLN A 45 -53.469 26.183 -2.540 1.00 0.00 H new ATOM 0 HA GLN A 45 -53.045 24.213 -0.383 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -51.175 23.246 -1.495 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -52.513 23.194 -2.625 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -51.513 24.659 -4.082 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -50.922 25.693 -2.798 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -50.181 23.350 -5.104 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -48.526 22.965 -4.623 1.00 0.00 H new ATOM 722 N MET A 46 -50.787 25.444 0.216 1.00 0.00 N ATOM 723 CA MET A 46 -49.858 26.358 0.857 1.00 0.00 C ATOM 724 C MET A 46 -49.145 27.230 -0.179 1.00 0.00 C ATOM 725 O MET A 46 -49.073 28.448 -0.026 1.00 0.00 O ATOM 726 CB MET A 46 -48.823 25.561 1.654 1.00 0.00 C ATOM 727 CG MET A 46 -47.607 26.424 1.991 1.00 0.00 C ATOM 728 SD MET A 46 -46.616 25.622 3.240 1.00 0.00 S ATOM 729 CE MET A 46 -45.637 24.541 2.213 1.00 0.00 C ATOM 0 H MET A 46 -50.645 24.461 0.448 1.00 0.00 H new ATOM 0 HA MET A 46 -50.421 27.008 1.526 1.00 0.00 H new ATOM 0 HB2 MET A 46 -49.275 25.189 2.573 1.00 0.00 H new ATOM 0 HB3 MET A 46 -48.507 24.691 1.079 1.00 0.00 H new ATOM 0 HG2 MET A 46 -47.010 26.592 1.094 1.00 0.00 H new ATOM 0 HG3 MET A 46 -47.932 27.402 2.346 1.00 0.00 H new ATOM 0 HE1 MET A 46 -44.958 23.962 2.838 1.00 0.00 H new ATOM 0 HE2 MET A 46 -46.294 23.864 1.667 1.00 0.00 H new ATOM 0 HE3 MET A 46 -45.060 25.136 1.505 1.00 0.00 H new ATOM 739 N LYS A 47 -48.634 26.571 -1.208 1.00 0.00 N ATOM 740 CA LYS A 47 -47.929 27.270 -2.269 1.00 0.00 C ATOM 741 C LYS A 47 -48.889 28.238 -2.962 1.00 0.00 C ATOM 742 O LYS A 47 -48.463 29.087 -3.744 1.00 0.00 O ATOM 743 CB LYS A 47 -47.266 26.273 -3.221 1.00 0.00 C ATOM 744 CG LYS A 47 -46.379 25.289 -2.454 1.00 0.00 C ATOM 745 CD LYS A 47 -46.063 24.058 -3.305 1.00 0.00 C ATOM 746 CE LYS A 47 -45.138 23.096 -2.556 1.00 0.00 C ATOM 747 NZ LYS A 47 -43.722 23.387 -2.873 1.00 0.00 N ATOM 0 H LYS A 47 -48.694 25.560 -1.330 1.00 0.00 H new ATOM 0 HA LYS A 47 -47.116 27.868 -1.856 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -48.032 25.726 -3.771 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -46.668 26.810 -3.957 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -45.451 25.781 -2.162 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -46.880 24.982 -1.536 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -46.989 23.547 -3.569 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -45.593 24.368 -4.238 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -45.302 23.186 -1.482 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -45.374 22.068 -2.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -43.108 22.725 -2.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -43.566 23.279 -3.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -43.496 24.362 -2.590 1.00 0.00 H new ATOM 761 N ASP A 48 -50.168 28.077 -2.653 1.00 0.00 N ATOM 762 CA ASP A 48 -51.191 28.925 -3.237 1.00 0.00 C ATOM 763 C ASP A 48 -51.985 29.603 -2.119 1.00 0.00 C ATOM 764 O ASP A 48 -53.121 30.026 -2.327 1.00 0.00 O ATOM 765 CB ASP A 48 -52.170 28.105 -4.082 1.00 0.00 C ATOM 766 CG ASP A 48 -52.633 28.782 -5.373 1.00 0.00 C ATOM 767 OD1 ASP A 48 -51.752 29.059 -6.217 1.00 0.00 O ATOM 768 OD2 ASP A 48 -53.857 29.009 -5.489 1.00 0.00 O ATOM 0 H ASP A 48 -50.518 27.371 -2.005 1.00 0.00 H new ATOM 0 HA ASP A 48 -50.697 29.662 -3.870 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -51.700 27.155 -4.336 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -53.046 27.875 -3.475 1.00 0.00 H new ATOM 773 N CYS A 49 -51.356 29.684 -0.956 1.00 0.00 N ATOM 774 CA CYS A 49 -51.990 30.303 0.196 1.00 0.00 C ATOM 775 C CYS A 49 -52.057 31.813 -0.045 1.00 0.00 C ATOM 776 O CYS A 49 -51.257 32.359 -0.804 1.00 0.00 O ATOM 777 CB CYS A 49 -51.255 29.965 1.495 1.00 0.00 C ATOM 778 SG CYS A 49 -52.306 30.382 2.935 1.00 0.00 S ATOM 0 H CYS A 49 -50.414 29.331 -0.786 1.00 0.00 H new ATOM 0 HA CYS A 49 -53.000 29.910 0.313 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -51.002 28.905 1.514 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -50.317 30.518 1.546 1.00 0.00 H new ATOM 783 N THR A 50 -53.018 32.443 0.613 1.00 0.00 N ATOM 784 CA THR A 50 -53.199 33.879 0.480 1.00 0.00 C ATOM 785 C THR A 50 -52.435 34.617 1.580 1.00 0.00 C ATOM 786 O THR A 50 -52.125 35.799 1.440 1.00 0.00 O ATOM 787 CB THR A 50 -54.701 34.167 0.484 1.00 0.00 C ATOM 788 OG1 THR A 50 -55.125 33.780 1.789 1.00 0.00 O ATOM 789 CG2 THR A 50 -55.479 33.240 -0.451 1.00 0.00 C ATOM 0 H THR A 50 -53.680 31.986 1.240 1.00 0.00 H new ATOM 0 HA THR A 50 -52.786 34.245 -0.460 1.00 0.00 H new ATOM 0 HB THR A 50 -54.872 35.203 0.191 1.00 0.00 H new ATOM 0 HG1 THR A 50 -56.088 33.935 1.879 1.00 0.00 H new ATOM 0 HG21 THR A 50 -56.540 33.488 -0.409 1.00 0.00 H new ATOM 0 HG22 THR A 50 -55.117 33.365 -1.471 1.00 0.00 H new ATOM 0 HG23 THR A 50 -55.336 32.205 -0.139 1.00 0.00 H new ATOM 797 N GLU A 51 -52.153 33.891 2.652 1.00 0.00 N ATOM 798 CA GLU A 51 -51.432 34.462 3.776 1.00 0.00 C ATOM 799 C GLU A 51 -49.955 34.647 3.419 1.00 0.00 C ATOM 800 O GLU A 51 -49.436 35.761 3.468 1.00 0.00 O ATOM 801 CB GLU A 51 -51.589 33.596 5.026 1.00 0.00 C ATOM 802 CG GLU A 51 -50.853 34.212 6.217 1.00 0.00 C ATOM 803 CD GLU A 51 -49.862 33.218 6.825 1.00 0.00 C ATOM 804 OE1 GLU A 51 -49.241 32.478 6.030 1.00 0.00 O ATOM 805 OE2 GLU A 51 -49.747 33.218 8.069 1.00 0.00 O ATOM 0 H GLU A 51 -52.412 32.911 2.766 1.00 0.00 H new ATOM 0 HA GLU A 51 -51.859 35.440 3.997 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -52.647 33.485 5.265 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -51.200 32.597 4.831 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -50.323 35.109 5.897 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -51.574 34.521 6.974 1.00 0.00 H new ATOM 812 N ARG A 52 -49.320 33.538 3.069 1.00 0.00 N ATOM 813 CA ARG A 52 -47.914 33.564 2.705 1.00 0.00 C ATOM 814 C ARG A 52 -47.732 33.110 1.255 1.00 0.00 C ATOM 815 O ARG A 52 -48.218 32.048 0.869 1.00 0.00 O ATOM 816 CB ARG A 52 -47.091 32.658 3.622 1.00 0.00 C ATOM 817 CG ARG A 52 -45.665 33.191 3.784 1.00 0.00 C ATOM 818 CD ARG A 52 -44.777 32.173 4.501 1.00 0.00 C ATOM 819 NE ARG A 52 -44.265 32.748 5.765 1.00 0.00 N ATOM 820 CZ ARG A 52 -43.592 32.051 6.690 1.00 0.00 C ATOM 821 NH1 ARG A 52 -43.346 30.748 6.498 1.00 0.00 N ATOM 822 NH2 ARG A 52 -43.165 32.656 7.807 1.00 0.00 N ATOM 0 H ARG A 52 -49.754 32.616 3.030 1.00 0.00 H new ATOM 0 HA ARG A 52 -47.562 34.590 2.815 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -47.571 32.590 4.598 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -47.061 31.649 3.211 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -45.245 33.419 2.804 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -45.683 34.124 4.348 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -45.344 31.266 4.708 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -43.944 31.888 3.858 1.00 0.00 H new ATOM 0 HE ARG A 52 -44.435 33.738 5.943 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -43.671 30.287 5.648 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -42.834 30.217 7.202 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -43.352 33.648 7.953 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -42.653 32.125 8.511 1.00 0.00 H new ATOM 836 N GLN A 53 -47.033 33.936 0.492 1.00 0.00 N ATOM 837 CA GLN A 53 -46.782 33.633 -0.906 1.00 0.00 C ATOM 838 C GLN A 53 -45.867 34.693 -1.523 1.00 0.00 C ATOM 839 O GLN A 53 -44.783 34.375 -2.011 1.00 0.00 O ATOM 840 CB GLN A 53 -48.092 33.518 -1.687 1.00 0.00 C ATOM 841 CG GLN A 53 -47.991 32.447 -2.775 1.00 0.00 C ATOM 842 CD GLN A 53 -47.798 31.059 -2.160 1.00 0.00 C ATOM 843 OE1 GLN A 53 -48.708 30.467 -1.604 1.00 0.00 O ATOM 844 NE2 GLN A 53 -46.567 30.575 -2.294 1.00 0.00 N ATOM 0 H GLN A 53 -46.632 34.816 0.816 1.00 0.00 H new ATOM 0 HA GLN A 53 -46.278 32.668 -0.963 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -48.906 33.272 -1.005 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -48.335 34.479 -2.140 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -48.894 32.456 -3.385 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -47.156 32.674 -3.438 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -45.852 31.124 -2.771 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -46.337 29.654 -1.920 1.00 0.00 H new ATOM 853 N ALA A 54 -46.337 35.931 -1.483 1.00 0.00 N ATOM 854 CA ALA A 54 -45.576 37.040 -2.032 1.00 0.00 C ATOM 855 C ALA A 54 -45.282 36.768 -3.509 1.00 0.00 C ATOM 856 O ALA A 54 -44.123 36.634 -3.900 1.00 0.00 O ATOM 857 CB ALA A 54 -44.300 37.240 -1.210 1.00 0.00 C ATOM 0 H ALA A 54 -47.237 36.191 -1.078 1.00 0.00 H new ATOM 0 HA ALA A 54 -46.149 37.966 -1.975 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -43.729 38.072 -1.622 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -44.564 37.458 -0.175 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -43.697 36.333 -1.247 1.00 0.00 H new ATOM 863 N ASN A 55 -46.350 36.696 -4.288 1.00 0.00 N ATOM 864 CA ASN A 55 -46.221 36.444 -5.714 1.00 0.00 C ATOM 865 C ASN A 55 -46.599 37.708 -6.487 1.00 0.00 C ATOM 866 O ASN A 55 -47.465 38.469 -6.057 1.00 0.00 O ATOM 867 CB ASN A 55 -47.157 35.319 -6.160 1.00 0.00 C ATOM 868 CG ASN A 55 -46.421 33.979 -6.204 1.00 0.00 C ATOM 869 OD1 ASN A 55 -45.577 33.677 -5.377 1.00 0.00 O ATOM 870 ND2 ASN A 55 -46.787 33.194 -7.214 1.00 0.00 N ATOM 0 H ASN A 55 -47.309 36.808 -3.960 1.00 0.00 H new ATOM 0 HA ASN A 55 -45.189 36.156 -5.914 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -48.002 35.251 -5.475 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -47.563 35.548 -7.146 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -46.354 32.278 -7.331 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -47.501 33.508 -7.871 1.00 0.00 H new HETATM 877 N NH2 A 56 -45.930 37.895 -7.616 1.00 0.00 N TER 878 NH2 A 56 HETATM 879 OP3 CG1 B 201 -38.070 -6.178 -2.747 1.00 0.00 O HETATM 880 P CG1 B 201 -39.128 -5.187 -2.070 1.00 0.00 P HETATM 881 OP1 CG1 B 201 -39.866 -4.452 -3.121 1.00 0.00 O HETATM 882 OP2 CG1 B 201 -38.462 -4.388 -1.018 1.00 0.00 O HETATM 883 O5' CG1 B 201 -40.152 -6.188 -1.357 1.00 0.00 O HETATM 884 C5' CG1 B 201 -40.153 -7.572 -1.700 1.00 0.00 C HETATM 885 C4' CG1 B 201 -41.572 -8.083 -1.797 1.00 0.00 C HETATM 886 O4' CG1 B 201 -42.425 -8.172 -0.921 1.00 0.00 O HETATM 887 C3' CG1 B 201 -42.400 -7.439 -2.906 1.00 0.00 C HETATM 888 O3' CG1 B 201 -41.824 -7.754 -4.171 1.00 0.00 O HETATM 889 C2' CG1 B 201 -43.778 -8.024 -2.765 1.00 0.00 C HETATM 890 O2' CG1 B 201 -43.771 -9.065 -3.716 1.00 0.00 O HETATM 891 C1' CG1 B 201 -43.749 -8.470 -1.305 1.00 0.00 C HETATM 892 N9 CG1 B 201 -44.725 -7.761 -0.453 1.00 0.00 N HETATM 893 C8 CG1 B 201 -44.585 -6.546 0.117 1.00 0.00 C HETATM 894 N7 CG1 B 201 -45.649 -6.187 0.828 1.00 0.00 N HETATM 895 C5 CG1 B 201 -46.507 -7.245 0.693 1.00 0.00 C HETATM 896 C6 CG1 B 201 -47.801 -7.472 1.207 1.00 0.00 C HETATM 897 O6 CG1 B 201 -48.428 -6.695 1.925 1.00 0.00 O HETATM 898 N1 CG1 B 201 -48.406 -8.648 0.886 1.00 0.00 N HETATM 899 C2 CG1 B 201 -47.740 -9.522 0.099 1.00 0.00 C HETATM 900 N2 CG1 B 201 -48.461 -10.619 -0.125 1.00 0.00 N HETATM 901 N3 CG1 B 201 -46.513 -9.411 -0.445 1.00 0.00 N HETATM 902 C4 CG1 B 201 -45.964 -8.218 -0.086 1.00 0.00 C HETATM 906 C CG1 B 201 -36.899 -5.652 -3.371 1.00 0.00 C HETATM 0 HO2' CG1 B 201 -44.690 -9.256 -3.999 1.00 0.00 H new HETATM 0 HN2A CG1 B 201 -48.083 -11.368 -0.705 1.00 0.00 H new HETATM 0 H5'A CG1 B 201 -39.640 -7.719 -2.650 1.00 0.00 H new HETATM 0 HN2 CG1 B 201 -49.391 -10.710 0.283 1.00 0.00 H new HETATM 0 HN1 CG1 B 201 -49.341 -8.865 1.231 1.00 0.00 H new HETATM 0 HB CG1 B 201 -37.188 -4.982 -4.181 1.00 0.00 H new HETATM 0 HA CG1 B 201 -36.311 -5.101 -2.636 1.00 0.00 H new HETATM 0 H8 CG1 B 201 -43.695 -5.926 0.006 1.00 0.00 H new HETATM 0 H5' CG1 B 201 -39.604 -8.141 -0.950 1.00 0.00 H new HETATM 0 H3' CG1 B 201 -42.432 -6.352 -2.835 1.00 0.00 H new HETATM 0 H2' CG1 B 201 -44.666 -7.418 -2.943 1.00 0.00 H new HETATM 0 H1' CG1 B 201 -44.025 -9.518 -1.191 1.00 0.00 H new HETATM 0 H CG1 B 201 -36.302 -6.471 -3.773 1.00 0.00 H new ATOM 915 P G B 202 -41.675 -6.619 -5.289 1.00 0.00 P ATOM 916 OP1 G B 202 -40.643 -7.018 -6.271 1.00 0.00 O ATOM 917 OP2 G B 202 -41.523 -5.298 -4.639 1.00 0.00 O ATOM 918 O5' G B 202 -43.095 -6.648 -6.023 1.00 0.00 O ATOM 919 C5' G B 202 -43.709 -7.895 -6.340 1.00 0.00 C ATOM 920 C4' G B 202 -45.167 -7.874 -5.942 1.00 0.00 C ATOM 921 O4' G B 202 -45.675 -7.869 -4.710 1.00 0.00 O ATOM 922 C3' G B 202 -45.937 -6.650 -6.429 1.00 0.00 C ATOM 923 O3' G B 202 -45.925 -6.619 -7.855 1.00 0.00 O ATOM 924 C2' G B 202 -47.331 -6.818 -5.893 1.00 0.00 C ATOM 925 O2' G B 202 -47.964 -7.569 -6.905 1.00 0.00 O ATOM 926 C1' G B 202 -47.049 -7.572 -4.597 1.00 0.00 C ATOM 927 N9 G B 202 -47.325 -6.777 -3.381 1.00 0.00 N ATOM 928 C8 G B 202 -46.535 -5.839 -2.818 1.00 0.00 C ATOM 929 N7 G B 202 -47.071 -5.305 -1.726 1.00 0.00 N ATOM 930 C5 G B 202 -48.271 -5.952 -1.599 1.00 0.00 C ATOM 931 C6 G B 202 -49.300 -5.833 -0.642 1.00 0.00 C ATOM 932 O6 G B 202 -49.295 -5.065 0.319 1.00 0.00 O ATOM 933 N1 G B 202 -50.392 -6.633 -0.793 1.00 0.00 N ATOM 934 C2 G B 202 -50.426 -7.487 -1.840 1.00 0.00 C ATOM 935 N2 G B 202 -51.551 -8.196 -1.849 1.00 0.00 N ATOM 936 N3 G B 202 -49.508 -7.682 -2.806 1.00 0.00 N ATOM 937 C4 G B 202 -48.447 -6.856 -2.599 1.00 0.00 C ATOM 0 H5' G B 202 -43.195 -8.704 -5.822 1.00 0.00 H new ATOM 0 H5'' G B 202 -43.619 -8.092 -7.408 1.00 0.00 H new ATOM 0 H4' G B 202 -45.266 -8.871 -6.372 1.00 0.00 H new ATOM 0 H3' G B 202 -45.501 -5.711 -6.088 1.00 0.00 H new ATOM 0 H2' G B 202 -47.959 -5.953 -5.680 1.00 0.00 H new ATOM 0 HO2' G B 202 -47.468 -7.470 -7.744 1.00 0.00 H new ATOM 0 H1' G B 202 -47.690 -8.446 -4.483 1.00 0.00 H new ATOM 0 H8 G B 202 -45.571 -5.553 -3.213 1.00 0.00 H new ATOM 0 H1 G B 202 -51.167 -6.589 -0.131 1.00 0.00 H new ATOM 0 H21 G B 202 -51.715 -8.883 -2.585 1.00 0.00 H new ATOM 0 H22 G B 202 -52.250 -8.052 -1.120 1.00 0.00 H new ATOM 949 P C B 203 -45.763 -5.225 -8.623 1.00 0.00 P ATOM 950 OP1 C B 203 -45.313 -5.471 -10.012 1.00 0.00 O ATOM 951 OP2 C B 203 -44.963 -4.292 -7.800 1.00 0.00 O ATOM 952 O5' C B 203 -47.264 -4.671 -8.681 1.00 0.00 O ATOM 953 C5' C B 203 -48.259 -5.382 -9.414 1.00 0.00 C ATOM 954 C4' C B 203 -49.532 -5.477 -8.606 1.00 0.00 C ATOM 955 O4' C B 203 -49.161 -5.337 -7.382 1.00 0.00 O ATOM 956 C3' C B 203 -50.422 -4.239 -8.683 1.00 0.00 C ATOM 957 O3' C B 203 -51.335 -4.379 -9.771 1.00 0.00 O ATOM 958 C2' C B 203 -51.140 -4.183 -7.364 1.00 0.00 C ATOM 959 O2' C B 203 -52.402 -4.730 -7.675 1.00 0.00 O ATOM 960 C1' C B 203 -50.235 -5.066 -6.510 1.00 0.00 C ATOM 961 N1 C B 203 -49.766 -4.408 -5.273 1.00 0.00 N ATOM 962 C2 C B 203 -50.559 -4.529 -4.133 1.00 0.00 C ATOM 963 O2 C B 203 -51.609 -5.176 -4.209 1.00 0.00 O ATOM 964 N3 C B 203 -50.153 -3.938 -2.995 1.00 0.00 N ATOM 965 C4 C B 203 -49.030 -3.251 -2.932 1.00 0.00 C ATOM 966 N4 C B 203 -48.646 -2.676 -1.799 1.00 0.00 N ATOM 967 C5 C B 203 -48.190 -3.111 -4.099 1.00 0.00 C ATOM 968 C6 C B 203 -48.608 -3.705 -5.225 1.00 0.00 C ATOM 0 H5' C B 203 -47.898 -6.381 -9.657 1.00 0.00 H new ATOM 0 H5'' C B 203 -48.456 -4.876 -10.359 1.00 0.00 H new ATOM 0 H4' C B 203 -50.037 -6.382 -8.943 1.00 0.00 H new ATOM 0 H3' C B 203 -49.860 -3.322 -8.857 1.00 0.00 H new ATOM 0 H2' C B 203 -51.306 -3.234 -6.855 1.00 0.00 H new ATOM 0 HO2' C B 203 -52.524 -4.739 -8.647 1.00 0.00 H new ATOM 0 H1' C B 203 -50.753 -5.953 -6.146 1.00 0.00 H new ATOM 0 H41 C B 203 -47.774 -2.147 -1.765 1.00 0.00 H new ATOM 0 H42 C B 203 -49.223 -2.763 -0.962 1.00 0.00 H new ATOM 0 H5 C B 203 -47.266 -2.552 -4.065 1.00 0.00 H new ATOM 0 H6 C B 203 -48.006 -3.621 -6.118 1.00 0.00 H new ATOM 980 P G B 204 -51.322 -3.317 -10.968 1.00 0.00 P ATOM 981 OP1 G B 204 -52.157 -3.814 -12.083 1.00 0.00 O ATOM 982 OP2 G B 204 -49.927 -2.933 -11.277 1.00 0.00 O ATOM 983 O5' G B 204 -52.055 -2.047 -10.328 1.00 0.00 O ATOM 984 C5' G B 204 -53.434 -2.123 -9.973 1.00 0.00 C ATOM 985 C4' G B 204 -53.693 -1.317 -8.720 1.00 0.00 C ATOM 986 O4' G B 204 -53.724 -1.471 -7.394 1.00 0.00 O ATOM 987 C3' G B 204 -53.240 0.138 -8.802 1.00 0.00 C ATOM 988 O3' G B 204 -53.722 0.717 -10.013 1.00 0.00 O ATOM 989 C2' G B 204 -53.836 0.807 -7.595 1.00 0.00 C ATOM 990 O2' G B 204 -55.134 1.140 -8.034 1.00 0.00 O ATOM 991 C1' G B 204 -53.760 -0.324 -6.574 1.00 0.00 C ATOM 992 N9 G B 204 -52.567 -0.253 -5.705 1.00 0.00 N ATOM 993 C8 G B 204 -51.293 -0.550 -6.033 1.00 0.00 C ATOM 994 N7 G B 204 -50.449 -0.383 -5.020 1.00 0.00 N ATOM 995 C5 G B 204 -51.248 0.045 -3.994 1.00 0.00 C ATOM 996 C6 G B 204 -50.950 0.393 -2.659 1.00 0.00 C ATOM 997 O6 G B 204 -49.831 0.369 -2.150 1.00 0.00 O ATOM 998 N1 G B 204 -51.985 0.788 -1.870 1.00 0.00 N ATOM 999 C2 G B 204 -53.227 0.826 -2.403 1.00 0.00 C ATOM 1000 N2 G B 204 -54.126 1.230 -1.509 1.00 0.00 N ATOM 1001 N3 G B 204 -53.624 0.518 -3.652 1.00 0.00 N ATOM 1002 C4 G B 204 -52.546 0.132 -4.390 1.00 0.00 C ATOM 0 H5' G B 204 -53.719 -3.163 -9.812 1.00 0.00 H new ATOM 0 H5'' G B 204 -54.049 -1.747 -10.790 1.00 0.00 H new ATOM 0 H4' G B 204 -54.574 -1.921 -8.939 1.00 0.00 H new ATOM 0 H3' G B 204 -52.155 0.246 -8.810 1.00 0.00 H new ATOM 0 H2' G B 204 -53.387 1.707 -7.174 1.00 0.00 H new ATOM 0 HO2' G B 204 -55.254 0.838 -8.958 1.00 0.00 H new ATOM 0 H1' G B 204 -54.592 -0.299 -5.870 1.00 0.00 H new ATOM 0 H8 G B 204 -50.991 -0.887 -7.014 1.00 0.00 H new ATOM 0 H1 G B 204 -51.828 1.050 -0.897 1.00 0.00 H new ATOM 0 H21 G B 204 -55.108 1.307 -1.772 1.00 0.00 H new ATOM 0 H22 G B 204 -53.833 1.463 -0.560 1.00 0.00 H new ATOM 1014 P A B 205 -53.796 2.308 -10.166 1.00 0.00 P ATOM 1015 OP1 A B 205 -53.478 2.691 -11.559 1.00 0.00 O ATOM 1016 OP2 A B 205 -53.011 2.949 -9.086 1.00 0.00 O ATOM 1017 O5' A B 205 -55.343 2.622 -9.906 1.00 0.00 O ATOM 1018 C5' A B 205 -55.745 3.925 -9.486 1.00 0.00 C ATOM 1019 C4' A B 205 -55.121 4.256 -8.150 1.00 0.00 C ATOM 1020 O4' A B 205 -54.371 3.552 -7.193 1.00 0.00 O ATOM 1021 C3' A B 205 -54.113 5.400 -8.190 1.00 0.00 C ATOM 1022 O3' A B 205 -54.680 6.508 -8.885 1.00 0.00 O ATOM 1023 C2' A B 205 -53.833 5.735 -6.751 1.00 0.00 C ATOM 1024 O2' A B 205 -54.862 6.647 -6.440 1.00 0.00 O ATOM 1025 C1' A B 205 -53.962 4.357 -6.109 1.00 0.00 C ATOM 1026 N9 A B 205 -52.701 3.860 -5.521 1.00 0.00 N ATOM 1027 C8 A B 205 -51.683 3.249 -6.163 1.00 0.00 C ATOM 1028 N7 A B 205 -50.686 2.922 -5.347 1.00 0.00 N ATOM 1029 C5 A B 205 -51.108 3.355 -4.119 1.00 0.00 C ATOM 1030 C6 A B 205 -50.501 3.302 -2.847 1.00 0.00 C ATOM 1031 N6 A B 205 -49.280 2.760 -2.600 1.00 0.00 N ATOM 1032 N1 A B 205 -51.191 3.830 -1.800 1.00 0.00 N ATOM 1033 C2 A B 205 -52.407 4.371 -2.036 1.00 0.00 C ATOM 1034 N3 A B 205 -53.079 4.477 -3.198 1.00 0.00 N ATOM 1035 C4 A B 205 -52.337 3.932 -4.203 1.00 0.00 C ATOM 0 H5' A B 205 -56.831 3.972 -9.410 1.00 0.00 H new ATOM 0 H5'' A B 205 -55.445 4.664 -10.229 1.00 0.00 H new ATOM 0 H4' A B 205 -56.166 4.216 -7.844 1.00 0.00 H new ATOM 0 H3' A B 205 -53.193 5.136 -8.712 1.00 0.00 H new ATOM 0 H2' A B 205 -52.887 6.188 -6.453 1.00 0.00 H new ATOM 0 HO2' A B 205 -54.474 7.457 -6.049 1.00 0.00 H new ATOM 0 H1' A B 205 -54.653 4.361 -5.266 1.00 0.00 H new ATOM 0 H8 A B 205 -51.679 3.048 -7.224 1.00 0.00 H new ATOM 0 H61 A B 205 -48.905 2.758 -1.651 1.00 0.00 H new ATOM 0 H62 A B 205 -48.738 2.355 -3.363 1.00 0.00 H new ATOM 0 H2 A B 205 -52.911 4.775 -1.170 1.00 0.00 H new ATOM 1047 P C B 206 -53.842 7.253 -10.025 1.00 0.00 P ATOM 1048 OP1 C B 206 -54.746 7.661 -11.123 1.00 0.00 O ATOM 1049 OP2 C B 206 -52.657 6.441 -10.383 1.00 0.00 O ATOM 1050 O5' C B 206 -53.329 8.578 -9.289 1.00 0.00 O ATOM 1051 C5' C B 206 -54.219 9.322 -8.459 1.00 0.00 C ATOM 1052 C4' C B 206 -53.634 9.471 -7.074 1.00 0.00 C ATOM 1053 O4' C B 206 -53.085 8.334 -6.764 1.00 0.00 O ATOM 1054 C3' C B 206 -52.387 10.347 -7.006 1.00 0.00 C ATOM 1055 O3' C B 206 -52.771 11.703 -6.782 1.00 0.00 O ATOM 1056 C2' C B 206 -51.582 9.805 -5.858 1.00 0.00 C ATOM 1057 O2' C B 206 -52.101 10.511 -4.754 1.00 0.00 O ATOM 1058 C1' C B 206 -51.953 8.327 -5.925 1.00 0.00 C ATOM 1059 N1 C B 206 -50.881 7.474 -6.481 1.00 0.00 N ATOM 1060 C2 C B 206 -50.045 6.814 -5.582 1.00 0.00 C ATOM 1061 O2 C B 206 -50.238 6.970 -4.371 1.00 0.00 O ATOM 1062 N3 C B 206 -49.062 6.032 -6.064 1.00 0.00 N ATOM 1063 C4 C B 206 -48.871 5.877 -7.359 1.00 0.00 C ATOM 1064 N4 C B 206 -47.895 5.102 -7.816 1.00 0.00 N ATOM 1065 C5 C B 206 -49.723 6.550 -8.312 1.00 0.00 C ATOM 1066 C6 C B 206 -50.698 7.326 -7.816 1.00 0.00 C ATOM 0 H5' C B 206 -55.184 8.817 -8.403 1.00 0.00 H new ATOM 0 H5'' C B 206 -54.398 10.305 -8.894 1.00 0.00 H new ATOM 0 H4' C B 206 -54.453 9.854 -6.465 1.00 0.00 H new ATOM 0 H3' C B 206 -51.807 10.331 -7.929 1.00 0.00 H new ATOM 0 H2' C B 206 -50.497 9.907 -5.835 1.00 0.00 H new ATOM 0 HO2' C B 206 -51.688 11.399 -4.710 1.00 0.00 H new ATOM 0 H1' C B 206 -52.129 7.904 -4.936 1.00 0.00 H new ATOM 0 H41 C B 206 -47.759 4.992 -8.821 1.00 0.00 H new ATOM 0 H42 C B 206 -47.281 4.617 -7.162 1.00 0.00 H new ATOM 0 H5 C B 206 -49.581 6.433 -9.376 1.00 0.00 H new ATOM 0 H6 C B 206 -51.354 7.846 -8.498 1.00 0.00 H new ATOM 1078 P U B 207 -52.263 12.852 -7.772 1.00 0.00 P ATOM 1079 OP1 U B 207 -53.424 13.585 -8.323 1.00 0.00 O ATOM 1080 OP2 U B 207 -51.292 12.288 -8.736 1.00 0.00 O ATOM 1081 O5' U B 207 -51.470 13.842 -6.796 1.00 0.00 O ATOM 1082 C5' U B 207 -52.074 14.278 -5.580 1.00 0.00 C ATOM 1083 C4' U B 207 -51.174 13.953 -4.408 1.00 0.00 C ATOM 1084 O4' U B 207 -50.759 12.874 -4.633 1.00 0.00 O ATOM 1085 C3' U B 207 -49.895 14.782 -4.346 1.00 0.00 C ATOM 1086 O3' U B 207 -50.082 15.875 -3.448 1.00 0.00 O ATOM 1087 C2' U B 207 -48.834 13.839 -3.853 1.00 0.00 C ATOM 1088 O2' U B 207 -48.721 14.183 -2.490 1.00 0.00 O ATOM 1089 C1' U B 207 -49.495 12.494 -4.137 1.00 0.00 C ATOM 1090 N1 U B 207 -48.760 11.671 -5.121 1.00 0.00 N ATOM 1091 C2 U B 207 -47.841 10.805 -4.615 1.00 0.00 C ATOM 1092 O2 U B 207 -47.608 10.683 -3.423 1.00 0.00 O ATOM 1093 N3 U B 207 -47.155 10.037 -5.530 1.00 0.00 N ATOM 1094 C4 U B 207 -47.356 10.111 -6.886 1.00 0.00 C ATOM 1095 O4 U B 207 -46.685 9.377 -7.610 1.00 0.00 O ATOM 1096 C5 U B 207 -48.326 11.033 -7.360 1.00 0.00 C ATOM 1097 C6 U B 207 -48.980 11.766 -6.456 1.00 0.00 C ATOM 0 H5' U B 207 -53.042 13.793 -5.451 1.00 0.00 H new ATOM 0 H5'' U B 207 -52.258 15.352 -5.621 1.00 0.00 H new ATOM 0 H4' U B 207 -51.758 14.108 -3.501 1.00 0.00 H new ATOM 0 H3' U B 207 -49.618 15.208 -5.310 1.00 0.00 H new ATOM 0 H2' U B 207 -47.832 13.849 -4.281 1.00 0.00 H new ATOM 0 HO2' U B 207 -48.987 13.419 -1.937 1.00 0.00 H new ATOM 0 H1' U B 207 -49.531 11.860 -3.251 1.00 0.00 H new ATOM 0 H3 U B 207 -46.460 9.377 -5.181 1.00 0.00 H new ATOM 0 H5 U B 207 -48.528 11.138 -8.416 1.00 0.00 H new ATOM 0 H6 U B 207 -49.721 12.470 -6.805 1.00 0.00 H new ATOM 1108 P G B 208 -49.482 17.315 -3.805 1.00 0.00 P ATOM 1109 OP1 G B 208 -49.913 18.300 -2.787 1.00 0.00 O ATOM 1110 OP2 G B 208 -49.759 17.633 -5.224 1.00 0.00 O ATOM 1111 O5' G B 208 -47.905 17.097 -3.645 1.00 0.00 O ATOM 1112 C5' G B 208 -47.138 16.609 -4.742 1.00 0.00 C ATOM 1113 C4' G B 208 -45.816 16.064 -4.252 1.00 0.00 C ATOM 1114 O4' G B 208 -45.743 15.031 -4.550 1.00 0.00 O ATOM 1115 C3' G B 208 -44.592 16.792 -4.799 1.00 0.00 C ATOM 1116 O3' G B 208 -43.883 17.404 -3.724 1.00 0.00 O ATOM 1117 C2' G B 208 -43.766 15.730 -5.471 1.00 0.00 C ATOM 1118 O2' G B 208 -42.608 15.685 -4.669 1.00 0.00 O ATOM 1119 C1' G B 208 -44.697 14.527 -5.349 1.00 0.00 C ATOM 1120 N9 G B 208 -45.204 14.039 -6.649 1.00 0.00 N ATOM 1121 C8 G B 208 -46.239 14.533 -7.361 1.00 0.00 C ATOM 1122 N7 G B 208 -46.444 13.869 -8.494 1.00 0.00 N ATOM 1123 C5 G B 208 -45.476 12.901 -8.488 1.00 0.00 C ATOM 1124 C6 G B 208 -45.167 11.882 -9.413 1.00 0.00 C ATOM 1125 O6 G B 208 -45.764 11.672 -10.468 1.00 0.00 O ATOM 1126 N1 G B 208 -44.123 11.061 -9.116 1.00 0.00 N ATOM 1127 C2 G B 208 -43.448 11.268 -7.962 1.00 0.00 C ATOM 1128 N2 G B 208 -42.460 10.389 -7.816 1.00 0.00 N ATOM 1129 N3 G B 208 -43.653 12.202 -7.015 1.00 0.00 N ATOM 1130 C4 G B 208 -44.707 12.987 -7.370 1.00 0.00 C ATOM 0 H5' G B 208 -46.966 17.411 -5.460 1.00 0.00 H new ATOM 0 H5'' G B 208 -47.691 15.828 -5.263 1.00 0.00 H new ATOM 0 H4' G B 208 -45.811 16.200 -3.171 1.00 0.00 H new ATOM 0 H3' G B 208 -44.849 17.586 -5.500 1.00 0.00 H new ATOM 0 H2' G B 208 -43.447 15.838 -6.508 1.00 0.00 H new ATOM 0 HO2' G B 208 -42.676 16.357 -3.959 1.00 0.00 H new ATOM 0 H1' G B 208 -44.191 13.657 -4.931 1.00 0.00 H new ATOM 0 H8 G B 208 -46.835 15.376 -7.045 1.00 0.00 H new ATOM 0 H1 G B 208 -43.856 10.307 -9.749 1.00 0.00 H new ATOM 0 H21 G B 208 -41.864 10.425 -6.989 1.00 0.00 H new ATOM 0 H22 G B 208 -42.299 9.680 -8.531 1.00 0.00 H new ATOM 1142 P G B 209 -43.391 18.921 -3.849 1.00 0.00 P ATOM 1143 OP1 G B 209 -43.742 19.449 -5.186 1.00 0.00 O ATOM 1144 OP2 G B 209 -41.977 19.024 -3.423 1.00 0.00 O ATOM 1145 O5' G B 209 -44.290 19.682 -2.766 1.00 0.00 O ATOM 1146 C5' G B 209 -43.863 19.752 -1.407 1.00 0.00 C ATOM 1147 C4' G B 209 -44.882 19.093 -0.506 1.00 0.00 C ATOM 1148 O4' G B 209 -45.782 19.432 0.505 1.00 0.00 O ATOM 1149 C3' G B 209 -45.714 18.008 -1.182 1.00 0.00 C ATOM 1150 O3' G B 209 -45.515 16.768 -0.508 1.00 0.00 O ATOM 1151 C2' G B 209 -47.140 18.473 -1.072 1.00 0.00 C ATOM 1152 O2' G B 209 -47.869 17.276 -1.217 1.00 0.00 O ATOM 1153 C1' G B 209 -47.134 19.073 0.332 1.00 0.00 C ATOM 1154 N9 G B 209 -48.021 20.246 0.475 1.00 0.00 N ATOM 1155 C8 G B 209 -47.711 21.540 0.249 1.00 0.00 C ATOM 1156 N7 G B 209 -48.734 22.359 0.470 1.00 0.00 N ATOM 1157 C5 G B 209 -49.747 21.523 0.859 1.00 0.00 C ATOM 1158 C6 G B 209 -51.083 21.781 1.231 1.00 0.00 C ATOM 1159 O6 G B 209 -51.608 22.893 1.273 1.00 0.00 O ATOM 1160 N1 G B 209 -51.856 20.715 1.572 1.00 0.00 N ATOM 1161 C2 G B 209 -51.305 19.480 1.534 1.00 0.00 C ATOM 1162 N2 G B 209 -52.185 18.548 1.894 1.00 0.00 N ATOM 1163 N3 G B 209 -50.053 19.120 1.198 1.00 0.00 N ATOM 1164 C4 G B 209 -49.333 20.228 0.870 1.00 0.00 C ATOM 0 H5' G B 209 -43.727 20.793 -1.114 1.00 0.00 H new ATOM 0 H5'' G B 209 -42.896 19.260 -1.296 1.00 0.00 H new ATOM 0 H4' G B 209 -43.953 19.151 0.061 1.00 0.00 H new ATOM 0 H3' G B 209 -45.437 17.849 -2.224 1.00 0.00 H new ATOM 0 H2' G B 209 -47.551 19.197 -1.775 1.00 0.00 H new ATOM 0 HO2' G B 209 -47.562 16.801 -2.017 1.00 0.00 H new ATOM 0 H1' G B 209 -47.512 18.374 1.078 1.00 0.00 H new ATOM 0 H8 G B 209 -46.737 21.874 -0.076 1.00 0.00 H new ATOM 0 H1 G B 209 -52.829 20.844 1.850 1.00 0.00 H new ATOM 0 H21 G B 209 -51.909 17.566 1.912 1.00 0.00 H new ATOM 0 H22 G B 209 -53.135 18.816 2.151 1.00 0.00 H new ATOM 1176 P U B 210 -44.059 16.107 -0.463 1.00 0.00 P ATOM 1177 OP1 U B 210 -43.029 17.161 -0.597 1.00 0.00 O ATOM 1178 OP2 U B 210 -43.998 14.969 -1.409 1.00 0.00 O ATOM 1179 O5' U B 210 -43.975 15.519 1.023 1.00 0.00 O ATOM 1180 C5' U B 210 -43.322 14.275 1.262 1.00 0.00 C ATOM 1181 C4' U B 210 -44.308 13.136 1.126 1.00 0.00 C ATOM 1182 O4' U B 210 -45.660 13.210 1.439 1.00 0.00 O ATOM 1183 C3' U B 210 -44.307 12.461 -0.242 1.00 0.00 C ATOM 1184 O3' U B 210 -44.006 11.076 -0.089 1.00 0.00 O ATOM 1185 C2' U B 210 -45.694 12.668 -0.786 1.00 0.00 C ATOM 1186 O2' U B 210 -45.850 11.574 -1.662 1.00 0.00 O ATOM 1187 C1' U B 210 -46.516 12.602 0.497 1.00 0.00 C ATOM 1188 N1 U B 210 -47.806 13.318 0.409 1.00 0.00 N ATOM 1189 C2 U B 210 -48.880 12.578 0.021 1.00 0.00 C ATOM 1190 O2 U B 210 -48.822 11.388 -0.247 1.00 0.00 O ATOM 1191 N3 U B 210 -50.084 13.242 -0.063 1.00 0.00 N ATOM 1192 C4 U B 210 -50.236 14.577 0.221 1.00 0.00 C ATOM 1193 O4 U B 210 -51.359 15.065 0.113 1.00 0.00 O ATOM 1194 C5 U B 210 -49.082 15.301 0.622 1.00 0.00 C ATOM 1195 C6 U B 210 -47.926 14.637 0.695 1.00 0.00 C ATOM 0 H5' U B 210 -42.885 14.271 2.261 1.00 0.00 H new ATOM 0 H5'' U B 210 -42.503 14.144 0.555 1.00 0.00 H new ATOM 0 H4' U B 210 -43.847 12.612 1.963 1.00 0.00 H new ATOM 0 H3' U B 210 -43.558 12.873 -0.918 1.00 0.00 H new ATOM 0 H2' U B 210 -45.952 13.573 -1.336 1.00 0.00 H new ATOM 0 HO2' U B 210 -46.706 11.652 -2.133 1.00 0.00 H new ATOM 0 H1' U B 210 -46.807 11.581 0.745 1.00 0.00 H new ATOM 0 H3 U B 210 -50.907 12.713 -0.352 1.00 0.00 H new ATOM 0 H5 U B 210 -49.138 16.353 0.860 1.00 0.00 H new ATOM 0 H6 U B 210 -47.042 15.179 0.997 1.00 0.00 H new ATOM 1206 P G B 211 -42.586 10.509 -0.559 1.00 0.00 P ATOM 1207 OP1 G B 211 -42.117 11.259 -1.745 1.00 0.00 O ATOM 1208 OP2 G B 211 -42.649 9.034 -0.665 1.00 0.00 O ATOM 1209 O5' G B 211 -41.629 10.876 0.669 1.00 0.00 O ATOM 1210 C5' G B 211 -40.265 11.220 0.431 1.00 0.00 C ATOM 1211 C4' G B 211 -39.375 10.555 1.457 1.00 0.00 C ATOM 1212 O4' G B 211 -39.899 11.165 2.309 1.00 0.00 O ATOM 1213 C3' G B 211 -39.766 9.119 1.795 1.00 0.00 C ATOM 1214 O3' G B 211 -38.732 8.233 1.369 1.00 0.00 O ATOM 1215 C2' G B 211 -39.933 9.094 3.289 1.00 0.00 C ATOM 1216 O2' G B 211 -38.750 8.462 3.724 1.00 0.00 O ATOM 1217 C1' G B 211 -40.027 10.587 3.589 1.00 0.00 C ATOM 1218 N9 G B 211 -41.300 10.980 4.228 1.00 0.00 N ATOM 1219 C8 G B 211 -42.467 11.278 3.618 1.00 0.00 C ATOM 1220 N7 G B 211 -43.429 11.596 4.477 1.00 0.00 N ATOM 1221 C5 G B 211 -42.825 11.491 5.701 1.00 0.00 C ATOM 1222 C6 G B 211 -43.317 11.699 7.007 1.00 0.00 C ATOM 1223 O6 G B 211 -44.465 12.038 7.290 1.00 0.00 O ATOM 1224 N1 G B 211 -42.450 11.509 8.039 1.00 0.00 N ATOM 1225 C2 G B 211 -41.183 11.136 7.758 1.00 0.00 C ATOM 1226 N2 G B 211 -40.463 10.992 8.868 1.00 0.00 N ATOM 1227 N3 G B 211 -40.610 10.910 6.561 1.00 0.00 N ATOM 1228 C4 G B 211 -41.526 11.116 5.573 1.00 0.00 C ATOM 0 H5' G B 211 -40.141 12.302 0.477 1.00 0.00 H new ATOM 0 H5'' G B 211 -39.973 10.908 -0.572 1.00 0.00 H new ATOM 0 H4' G B 211 -38.308 10.539 1.234 1.00 0.00 H new ATOM 0 H3' G B 211 -40.681 8.800 1.297 1.00 0.00 H new ATOM 0 H2' G B 211 -40.774 8.577 3.751 1.00 0.00 H new ATOM 0 HO2' G B 211 -38.047 9.133 3.849 1.00 0.00 H new ATOM 0 H1' G B 211 -39.271 10.910 4.305 1.00 0.00 H new ATOM 0 H8 G B 211 -42.604 11.260 2.547 1.00 0.00 H new ATOM 0 H1 G B 211 -42.751 11.645 9.004 1.00 0.00 H new ATOM 0 H21 G B 211 -39.484 10.712 8.808 1.00 0.00 H new ATOM 0 H22 G B 211 -40.890 11.161 9.779 1.00 0.00 H new ATOM 1240 P A B 212 -37.198 8.626 1.601 1.00 0.00 P ATOM 1241 OP1 A B 212 -36.404 7.402 1.850 1.00 0.00 O ATOM 1242 OP2 A B 212 -37.106 9.714 2.600 1.00 0.00 O ATOM 1243 O5' A B 212 -36.759 9.219 0.182 1.00 0.00 O ATOM 1244 C5' A B 212 -36.721 8.371 -0.964 1.00 0.00 C ATOM 1245 C4' A B 212 -38.120 8.145 -1.490 1.00 0.00 C ATOM 1246 O4' A B 212 -38.908 8.585 -2.577 1.00 0.00 O ATOM 1247 C3' A B 212 -38.460 6.684 -1.770 1.00 0.00 C ATOM 1248 O3' A B 212 -38.041 5.880 -0.669 1.00 0.00 O ATOM 1249 C2' A B 212 -39.953 6.648 -1.941 1.00 0.00 C ATOM 1250 O2' A B 212 -40.410 6.417 -0.628 1.00 0.00 O ATOM 1251 C1' A B 212 -40.209 8.050 -2.488 1.00 0.00 C ATOM 1252 N9 A B 212 -40.881 8.056 -3.804 1.00 0.00 N ATOM 1253 C8 A B 212 -40.329 7.790 -5.007 1.00 0.00 C ATOM 1254 N7 A B 212 -41.205 7.880 -6.003 1.00 0.00 N ATOM 1255 C5 A B 212 -42.376 8.223 -5.383 1.00 0.00 C ATOM 1256 C6 A B 212 -43.669 8.464 -5.893 1.00 0.00 C ATOM 1257 N6 A B 212 -44.002 8.391 -7.207 1.00 0.00 N ATOM 1258 N1 A B 212 -44.643 8.791 -5.001 1.00 0.00 N ATOM 1259 C2 A B 212 -44.320 8.866 -3.691 1.00 0.00 C ATOM 1260 N3 A B 212 -43.130 8.657 -3.096 1.00 0.00 N ATOM 1261 C4 A B 212 -42.202 8.335 -4.039 1.00 0.00 C ATOM 0 H5' A B 212 -36.263 7.416 -0.705 1.00 0.00 H new ATOM 0 H5'' A B 212 -36.101 8.822 -1.739 1.00 0.00 H new ATOM 0 H4' A B 212 -38.319 8.825 -0.662 1.00 0.00 H new ATOM 0 H3' A B 212 -37.958 6.295 -2.656 1.00 0.00 H new ATOM 0 H2' A B 212 -40.427 5.912 -2.591 1.00 0.00 H new ATOM 0 HO2' A B 212 -41.236 5.890 -0.657 1.00 0.00 H new ATOM 0 H1' A B 212 -40.887 8.620 -1.853 1.00 0.00 H new ATOM 0 H8 A B 212 -39.289 7.532 -5.145 1.00 0.00 H new ATOM 0 H61 A B 212 -44.960 8.579 -7.501 1.00 0.00 H new ATOM 0 H62 A B 212 -43.294 8.148 -7.900 1.00 0.00 H new ATOM 0 H2 A B 212 -45.130 9.131 -3.028 1.00 0.00 H new ATOM 1273 P G B 213 -37.852 4.303 -0.856 1.00 0.00 P ATOM 1274 OP1 G B 213 -37.146 3.742 0.318 1.00 0.00 O ATOM 1275 OP2 G B 213 -37.281 4.023 -2.192 1.00 0.00 O ATOM 1276 O5' G B 213 -39.355 3.756 -0.836 1.00 0.00 O ATOM 1277 C5' G B 213 -40.026 3.556 0.406 1.00 0.00 C ATOM 1278 C4' G B 213 -41.498 3.866 0.258 1.00 0.00 C ATOM 1279 O4' G B 213 -42.034 4.498 -0.453 1.00 0.00 O ATOM 1280 C3' G B 213 -42.424 2.698 0.588 1.00 0.00 C ATOM 1281 O3' G B 213 -42.444 2.493 1.998 1.00 0.00 O ATOM 1282 C2' G B 213 -43.776 3.104 0.069 1.00 0.00 C ATOM 1283 O2' G B 213 -44.508 3.324 1.254 1.00 0.00 O ATOM 1284 C1' G B 213 -43.411 4.358 -0.720 1.00 0.00 C ATOM 1285 N9 G B 213 -43.665 4.236 -2.171 1.00 0.00 N ATOM 1286 C8 G B 213 -42.860 3.677 -3.099 1.00 0.00 C ATOM 1287 N7 G B 213 -43.376 3.724 -4.322 1.00 0.00 N ATOM 1288 C5 G B 213 -44.581 4.351 -4.146 1.00 0.00 C ATOM 1289 C6 G B 213 -45.597 4.699 -5.061 1.00 0.00 C ATOM 1290 O6 G B 213 -45.571 4.480 -6.271 1.00 0.00 O ATOM 1291 N1 G B 213 -46.697 5.329 -4.566 1.00 0.00 N ATOM 1292 C2 G B 213 -46.752 5.584 -3.239 1.00 0.00 C ATOM 1293 N2 G B 213 -47.885 6.201 -2.913 1.00 0.00 N ATOM 1294 N3 G B 213 -45.849 5.299 -2.282 1.00 0.00 N ATOM 1295 C4 G B 213 -44.778 4.672 -2.840 1.00 0.00 C ATOM 0 H5' G B 213 -39.587 4.195 1.172 1.00 0.00 H new ATOM 0 H5'' G B 213 -39.895 2.526 0.737 1.00 0.00 H new ATOM 0 H4' G B 213 -41.244 4.669 0.950 1.00 0.00 H new ATOM 0 H3' G B 213 -42.101 1.760 0.137 1.00 0.00 H new ATOM 0 H2' G B 213 -44.361 2.435 -0.562 1.00 0.00 H new ATOM 0 HO2' G B 213 -44.148 2.761 1.970 1.00 0.00 H new ATOM 0 H1' G B 213 -44.015 5.217 -0.426 1.00 0.00 H new ATOM 0 H8 G B 213 -41.900 3.239 -2.872 1.00 0.00 H new ATOM 0 H1 G B 213 -47.463 5.603 -5.182 1.00 0.00 H new ATOM 0 H21 G B 213 -48.065 6.457 -1.942 1.00 0.00 H new ATOM 0 H22 G B 213 -48.573 6.418 -3.634 1.00 0.00 H new ATOM 1307 P U B 214 -41.953 1.098 2.612 1.00 0.00 P ATOM 1308 OP1 U B 214 -40.614 1.264 3.217 1.00 0.00 O ATOM 1309 OP2 U B 214 -42.120 0.025 1.606 1.00 0.00 O ATOM 1310 O5' U B 214 -43.001 0.837 3.792 1.00 0.00 O ATOM 1311 C5' U B 214 -43.812 -0.337 3.780 1.00 0.00 C ATOM 1312 C4' U B 214 -45.110 -0.062 3.054 1.00 0.00 C ATOM 1313 O4' U B 214 -46.002 0.825 2.506 1.00 0.00 O ATOM 1314 C3' U B 214 -46.151 -1.171 3.185 1.00 0.00 C ATOM 1315 O3' U B 214 -47.036 -0.865 4.261 1.00 0.00 O ATOM 1316 C2' U B 214 -46.873 -1.194 1.866 1.00 0.00 C ATOM 1317 O2' U B 214 -48.177 -1.586 2.234 1.00 0.00 O ATOM 1318 C1' U B 214 -46.722 0.261 1.433 1.00 0.00 C ATOM 1319 N1 U B 214 -45.996 0.424 0.157 1.00 0.00 N ATOM 1320 C2 U B 214 -46.646 1.107 -0.825 1.00 0.00 C ATOM 1321 O2 U B 214 -47.767 1.573 -0.697 1.00 0.00 O ATOM 1322 N3 U B 214 -45.971 1.260 -2.015 1.00 0.00 N ATOM 1323 C4 U B 214 -44.710 0.767 -2.242 1.00 0.00 C ATOM 1324 O4 U B 214 -44.202 0.964 -3.344 1.00 0.00 O ATOM 1325 C5 U B 214 -44.076 0.062 -1.184 1.00 0.00 C ATOM 1326 C6 U B 214 -44.750 -0.074 -0.039 1.00 0.00 C ATOM 0 H5' U B 214 -44.018 -0.657 4.801 1.00 0.00 H new ATOM 0 H5'' U B 214 -43.278 -1.153 3.292 1.00 0.00 H new ATOM 0 H4' U B 214 -44.198 0.442 2.734 1.00 0.00 H new ATOM 0 H3' U B 214 -45.711 -2.144 3.404 1.00 0.00 H new ATOM 0 H2' U B 214 -46.546 -1.848 1.058 1.00 0.00 H new ATOM 0 HO2' U B 214 -48.141 -2.449 2.698 1.00 0.00 H new ATOM 0 H1' U B 214 -47.685 0.734 1.240 1.00 0.00 H new ATOM 0 H3 U B 214 -46.433 1.768 -2.769 1.00 0.00 H new ATOM 0 H5 U B 214 -43.084 -0.349 -1.301 1.00 0.00 H new ATOM 0 H6 U B 214 -44.278 -0.608 0.773 1.00 0.00 H new ATOM 1337 P A B 215 -47.710 -2.046 5.103 1.00 0.00 P ATOM 1338 OP1 A B 215 -46.658 -2.841 5.776 1.00 0.00 O ATOM 1339 OP2 A B 215 -48.678 -2.775 4.252 1.00 0.00 O ATOM 1340 O5' A B 215 -48.534 -1.261 6.228 1.00 0.00 O ATOM 1341 C5' A B 215 -47.865 -0.339 7.087 1.00 0.00 C ATOM 1342 C4' A B 215 -48.875 0.547 7.782 1.00 0.00 C ATOM 1343 O4' A B 215 -48.530 1.825 7.301 1.00 0.00 O ATOM 1344 C3' A B 215 -50.302 0.406 7.262 1.00 0.00 C ATOM 1345 O3' A B 215 -51.076 -0.343 8.196 1.00 0.00 O ATOM 1346 C2' A B 215 -50.814 1.812 7.123 1.00 0.00 C ATOM 1347 O2' A B 215 -51.218 2.127 8.436 1.00 0.00 O ATOM 1348 C1' A B 215 -49.557 2.527 6.636 1.00 0.00 C ATOM 1349 N9 A B 215 -49.378 2.471 5.170 1.00 0.00 N ATOM 1350 C8 A B 215 -48.497 1.716 4.480 1.00 0.00 C ATOM 1351 N7 A B 215 -48.588 1.896 3.165 1.00 0.00 N ATOM 1352 C5 A B 215 -49.588 2.820 3.028 1.00 0.00 C ATOM 1353 C6 A B 215 -50.154 3.422 1.884 1.00 0.00 C ATOM 1354 N6 A B 215 -49.768 3.163 0.608 1.00 0.00 N ATOM 1355 N1 A B 215 -51.155 4.323 2.080 1.00 0.00 N ATOM 1356 C2 A B 215 -51.546 4.587 3.347 1.00 0.00 C ATOM 1357 N3 A B 215 -51.080 4.076 4.503 1.00 0.00 N ATOM 1358 C4 A B 215 -50.086 3.186 4.238 1.00 0.00 C ATOM 0 H5' A B 215 -47.171 0.271 6.509 1.00 0.00 H new ATOM 0 H5'' A B 215 -47.275 -0.881 7.826 1.00 0.00 H new ATOM 0 H4' A B 215 -48.854 0.333 8.850 1.00 0.00 H new ATOM 0 H3' A B 215 -50.357 -0.123 6.311 1.00 0.00 H new ATOM 0 H2' A B 215 -51.645 2.042 6.456 1.00 0.00 H new ATOM 0 HO2' A B 215 -51.380 1.300 8.936 1.00 0.00 H new ATOM 0 H1' A B 215 -49.584 3.595 6.850 1.00 0.00 H new ATOM 0 H8 A B 215 -47.795 1.040 4.945 1.00 0.00 H new ATOM 0 H61 A B 215 -50.225 3.639 -0.170 1.00 0.00 H new ATOM 0 H62 A B 215 -49.021 2.493 0.427 1.00 0.00 H new ATOM 0 H2 A B 215 -52.344 5.308 3.446 1.00 0.00 H new ATOM 1370 P C B 216 -52.152 -1.407 7.673 1.00 0.00 P ATOM 1371 OP1 C B 216 -53.088 -1.747 8.767 1.00 0.00 O ATOM 1372 OP2 C B 216 -51.458 -2.524 6.995 1.00 0.00 O ATOM 1373 O5' C B 216 -52.963 -0.583 6.566 1.00 0.00 O ATOM 1374 C5' C B 216 -53.745 0.546 6.948 1.00 0.00 C ATOM 1375 C4' C B 216 -54.277 1.250 5.721 1.00 0.00 C ATOM 1376 O4' C B 216 -54.015 2.102 5.012 1.00 0.00 O ATOM 1377 C3' C B 216 -55.514 0.599 5.107 1.00 0.00 C ATOM 1378 O3' C B 216 -56.681 1.086 5.764 1.00 0.00 O ATOM 1379 C2' C B 216 -55.491 0.992 3.656 1.00 0.00 C ATOM 1380 O2' C B 216 -56.753 1.594 3.479 1.00 0.00 O ATOM 1381 C1' C B 216 -54.301 1.947 3.640 1.00 0.00 C ATOM 1382 N1 C B 216 -53.132 1.421 2.906 1.00 0.00 N ATOM 1383 C2 C B 216 -52.986 1.788 1.568 1.00 0.00 C ATOM 1384 O2 C B 216 -53.835 2.530 1.064 1.00 0.00 O ATOM 1385 N3 C B 216 -51.931 1.321 0.880 1.00 0.00 N ATOM 1386 C4 C B 216 -51.035 0.529 1.434 1.00 0.00 C ATOM 1387 N4 C B 216 -49.999 0.078 0.737 1.00 0.00 N ATOM 1388 C5 C B 216 -51.161 0.134 2.818 1.00 0.00 C ATOM 1389 C6 C B 216 -52.220 0.608 3.492 1.00 0.00 C ATOM 0 H5' C B 216 -53.140 1.234 7.538 1.00 0.00 H new ATOM 0 H5'' C B 216 -54.573 0.227 7.581 1.00 0.00 H new ATOM 0 H4' C B 216 -53.553 1.707 6.396 1.00 0.00 H new ATOM 0 H3' C B 216 -55.521 -0.486 5.214 1.00 0.00 H new ATOM 0 H2' C B 216 -55.367 0.244 2.873 1.00 0.00 H new ATOM 0 HO2' C B 216 -57.029 2.026 4.314 1.00 0.00 H new ATOM 0 H1' C B 216 -54.530 2.878 3.121 1.00 0.00 H new ATOM 0 H41 C B 216 -49.314 -0.534 1.180 1.00 0.00 H new ATOM 0 H42 C B 216 -49.888 0.344 -0.242 1.00 0.00 H new ATOM 0 H5 C B 216 -50.436 -0.513 3.289 1.00 0.00 H new ATOM 0 H6 C B 216 -52.349 0.334 4.529 1.00 0.00 H new ATOM 1401 P G B 217 -57.645 0.071 6.539 1.00 0.00 P ATOM 1402 OP1 G B 217 -58.948 0.722 6.800 1.00 0.00 O ATOM 1403 OP2 G B 217 -56.929 -0.511 7.696 1.00 0.00 O ATOM 1404 O5' G B 217 -57.881 -1.093 5.467 1.00 0.00 O ATOM 1405 C5' G B 217 -58.548 -0.807 4.239 1.00 0.00 C ATOM 1406 C4' G B 217 -57.959 -1.637 3.122 1.00 0.00 C ATOM 1407 O4' G B 217 -57.006 -1.419 2.406 1.00 0.00 O ATOM 1408 C3' G B 217 -57.717 -3.100 3.483 1.00 0.00 C ATOM 1409 O3' G B 217 -58.963 -3.728 3.777 1.00 0.00 O ATOM 1410 C2' G B 217 -57.065 -3.706 2.270 1.00 0.00 C ATOM 1411 O2' G B 217 -58.152 -4.308 1.603 1.00 0.00 O ATOM 1412 C1' G B 217 -56.495 -2.459 1.601 1.00 0.00 C ATOM 1413 N9 G B 217 -55.018 -2.431 1.568 1.00 0.00 N ATOM 1414 C8 G B 217 -54.183 -2.034 2.551 1.00 0.00 C ATOM 1415 N7 G B 217 -52.903 -2.130 2.207 1.00 0.00 N ATOM 1416 C5 G B 217 -52.942 -2.616 0.929 1.00 0.00 C ATOM 1417 C6 G B 217 -51.913 -2.934 0.018 1.00 0.00 C ATOM 1418 O6 G B 217 -50.708 -2.818 0.235 1.00 0.00 O ATOM 1419 N1 G B 217 -52.282 -3.408 -1.204 1.00 0.00 N ATOM 1420 C2 G B 217 -53.599 -3.546 -1.472 1.00 0.00 C ATOM 1421 N2 G B 217 -53.797 -4.019 -2.701 1.00 0.00 N ATOM 1422 N3 G B 217 -54.658 -3.276 -0.685 1.00 0.00 N ATOM 1423 C4 G B 217 -54.223 -2.808 0.517 1.00 0.00 C ATOM 0 H5' G B 217 -58.454 0.253 4.003 1.00 0.00 H new ATOM 0 H5'' G B 217 -59.613 -1.018 4.337 1.00 0.00 H new ATOM 0 H4' G B 217 -58.807 -1.286 2.534 1.00 0.00 H new ATOM 0 H3' G B 217 -57.086 -3.222 4.364 1.00 0.00 H new ATOM 0 H2' G B 217 -56.280 -4.456 2.369 1.00 0.00 H new ATOM 0 HO2' G B 217 -57.889 -5.197 1.286 1.00 0.00 H new ATOM 0 H1' G B 217 -56.776 -2.394 0.550 1.00 0.00 H new ATOM 0 H8 G B 217 -54.519 -1.677 3.513 1.00 0.00 H new ATOM 0 H1 G B 217 -51.580 -3.653 -1.902 1.00 0.00 H new ATOM 0 H21 G B 217 -54.746 -4.174 -3.041 1.00 0.00 H new ATOM 0 H22 G B 217 -53.000 -4.226 -3.302 1.00 0.00 H new ATOM 1435 P C B 218 -59.037 -4.875 4.890 1.00 0.00 P ATOM 1436 OP1 C B 218 -60.452 -5.214 5.162 1.00 0.00 O ATOM 1437 OP2 C B 218 -58.189 -4.507 6.044 1.00 0.00 O ATOM 1438 O5' C B 218 -58.362 -6.129 4.160 1.00 0.00 O ATOM 1439 C5' C B 218 -59.092 -6.862 3.179 1.00 0.00 C ATOM 1440 C4' C B 218 -58.139 -7.531 2.213 1.00 0.00 C ATOM 1441 O4' C B 218 -57.111 -6.709 1.857 1.00 0.00 O ATOM 1442 C3' C B 218 -57.231 -8.579 2.849 1.00 0.00 C ATOM 1443 O3' C B 218 -57.962 -9.789 3.036 1.00 0.00 O ATOM 1444 C2' C B 218 -56.097 -8.763 1.880 1.00 0.00 C ATOM 1445 O2' C B 218 -56.596 -9.746 1.001 1.00 0.00 O ATOM 1446 C1' C B 218 -55.991 -7.357 1.297 1.00 0.00 C ATOM 1447 N1 C B 218 -54.737 -6.663 1.657 1.00 0.00 N ATOM 1448 C2 C B 218 -53.675 -6.734 0.757 1.00 0.00 C ATOM 1449 O2 C B 218 -53.831 -7.369 -0.292 1.00 0.00 O ATOM 1450 N3 C B 218 -52.523 -6.111 1.062 1.00 0.00 N ATOM 1451 C4 C B 218 -52.374 -5.438 2.186 1.00 0.00 C ATOM 1452 N4 C B 218 -51.230 -4.829 2.469 1.00 0.00 N ATOM 1453 C5 C B 218 -53.460 -5.349 3.136 1.00 0.00 C ATOM 1454 C6 C B 218 -54.601 -5.975 2.818 1.00 0.00 C ATOM 0 H5' C B 218 -59.761 -6.193 2.637 1.00 0.00 H new ATOM 0 H5'' C B 218 -59.716 -7.612 3.664 1.00 0.00 H new ATOM 0 H4' C B 218 -58.833 -7.876 1.447 1.00 0.00 H new ATOM 0 H3' C B 218 -56.859 -8.280 3.829 1.00 0.00 H new ATOM 0 H2' C B 218 -55.115 -9.091 2.221 1.00 0.00 H new ATOM 0 HO2' C B 218 -56.123 -10.591 1.153 1.00 0.00 H new ATOM 0 H1' C B 218 -55.975 -7.365 0.207 1.00 0.00 H new ATOM 0 H41 C B 218 -51.130 -4.312 3.343 1.00 0.00 H new ATOM 0 H42 C B 218 -50.450 -4.878 1.813 1.00 0.00 H new ATOM 0 H5 C B 218 -53.356 -4.802 4.061 1.00 0.00 H new ATOM 0 H6 C B 218 -55.434 -5.931 3.504 1.00 0.00 H new ATOM 1466 P C B 219 -57.935 -10.531 4.453 1.00 0.00 P ATOM 1467 OP1 C B 219 -59.237 -11.191 4.697 1.00 0.00 O ATOM 1468 OP2 C B 219 -57.437 -9.601 5.493 1.00 0.00 O ATOM 1469 O5' C B 219 -56.834 -11.672 4.242 1.00 0.00 O ATOM 1470 C5' C B 219 -56.926 -12.555 3.126 1.00 0.00 C ATOM 1471 C4' C B 219 -55.555 -12.792 2.536 1.00 0.00 C ATOM 1472 O4' C B 219 -54.857 -11.673 2.088 1.00 0.00 O ATOM 1473 C3' C B 219 -54.488 -13.185 3.556 1.00 0.00 C ATOM 1474 O3' C B 219 -54.714 -14.537 3.982 1.00 0.00 O ATOM 1475 C2' C B 219 -53.178 -13.042 2.834 1.00 0.00 C ATOM 1476 O2' C B 219 -53.077 -14.261 2.132 1.00 0.00 O ATOM 1477 C1' C B 219 -53.458 -11.812 1.975 1.00 0.00 C ATOM 1478 N1 C B 219 -52.762 -10.595 2.444 1.00 0.00 N ATOM 1479 C2 C B 219 -51.571 -10.246 1.811 1.00 0.00 C ATOM 1480 O2 C B 219 -51.155 -10.963 0.894 1.00 0.00 O ATOM 1481 N3 C B 219 -50.919 -9.143 2.219 1.00 0.00 N ATOM 1482 C4 C B 219 -51.377 -8.388 3.198 1.00 0.00 C ATOM 1483 N4 C B 219 -50.718 -7.303 3.587 1.00 0.00 N ATOM 1484 C5 C B 219 -52.608 -8.728 3.872 1.00 0.00 C ATOM 1485 C6 C B 219 -53.247 -9.831 3.453 1.00 0.00 C ATOM 0 H5' C B 219 -57.587 -12.131 2.370 1.00 0.00 H new ATOM 0 H5'' C B 219 -57.365 -13.503 3.438 1.00 0.00 H new ATOM 0 H4' C B 219 -55.856 -13.515 1.778 1.00 0.00 H new ATOM 0 H3' C B 219 -54.505 -12.565 4.452 1.00 0.00 H new ATOM 0 H2' C B 219 -52.247 -12.897 3.383 1.00 0.00 H new ATOM 0 HO2' C B 219 -53.572 -14.957 2.613 1.00 0.00 H new ATOM 0 HO3' C B 219 -54.030 -14.793 4.635 1.00 0.00 H new ATOM 0 H1' C B 219 -53.099 -11.935 0.953 1.00 0.00 H new ATOM 0 H41 C B 219 -51.084 -6.728 4.346 1.00 0.00 H new ATOM 0 H42 C B 219 -49.845 -7.044 3.127 1.00 0.00 H new ATOM 0 H5 C B 219 -52.997 -8.122 4.677 1.00 0.00 H new ATOM 0 H6 C B 219 -54.172 -10.117 3.932 1.00 0.00 H new TER 1497 C B 219 HETATM 1498 ZN ZN A 128 -50.840 11.046 7.747 1.00 0.00 ZN HETATM 1499 ZN ZN A 149 -53.872 28.732 2.575 1.00 0.00 ZN