USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 460 hydrogens (0 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 Single : A 1 G O2' : rot -105:sc= -3.28! USER MOD Single : A 2 C O2' : rot -9:sc= 0.135 USER MOD Single : A 3 C O2' : rot 48:sc= -5.99! USER MOD Single : A 4 C O2' : rot -1:sc= -0.661 USER MOD Single : A 5 U O2' : rot -17:sc= -0.637! USER MOD Single : A 6 G O2' : rot -96:sc= 0.714 USER MOD Single : A 7 A O2' : rot 180:sc= -4.36! USER MOD Single : A 8 A O2' : rot 46:sc= -2.74! USER MOD Single : A 9 A O2' : rot -15:sc= 0.122 USER MOD Single : A 10 A O2' : rot 180:sc= 0 USER MOD Single : A 11 A O2' : rot -85:sc= -0.508! USER MOD Single : A 12 G O2' : rot -18:sc= 0.149 USER MOD Single : A 13 G O2' : rot -92:sc= 0.666 USER MOD Single : A 14 G O2' : rot 180:sc= -2.16! USER MOD Single : A 15 C O2' : rot -13:sc= 0.151 USER MOD Single : A 15 C O3' : rot 180:sc= 0.151 USER MOD Single : B 4 GLN : amide:sc= -1.62 K(o=-1.6,f=-2.2!) USER MOD Single : B 5 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 GLN :FLIP amide:sc= -3.17! C(o=-4.3!,f=-3.2!) USER MOD Single : B 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 ASN :FLIP amide:sc= -5.85! C(o=-7!,f=-5.9!) USER MOD Single : B 29 SER OG : rot 180:sc= 0 USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 ASN : amide:sc= 0.384 K(o=0.38,f=-7.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP B 2 10.731 -12.510 -0.271 1.00 0.76 N ATOM 2 CA ASP B 2 10.054 -11.905 0.915 1.00 0.88 C ATOM 3 C ASP B 2 8.557 -12.203 0.877 1.00 0.68 C ATOM 4 O ASP B 2 8.108 -13.121 0.217 1.00 0.66 O ATOM 5 CB ASP B 2 10.302 -10.397 0.808 1.00 1.25 C ATOM 6 CG ASP B 2 11.797 -10.126 0.628 1.00 1.88 C ATOM 7 OD1 ASP B 2 12.277 -10.276 -0.484 1.00 2.35 O ATOM 8 OD2 ASP B 2 12.437 -9.773 1.605 1.00 2.37 O ATOM 0 HA ASP B 2 10.439 -12.310 1.851 1.00 0.88 H new ATOM 0 HB2 ASP B 2 9.745 -9.987 -0.035 1.00 1.25 H new ATOM 0 HB3 ASP B 2 9.938 -9.895 1.705 1.00 1.25 H new ATOM 15 N ALA B 3 7.787 -11.432 1.587 1.00 0.63 N ATOM 16 CA ALA B 3 6.310 -11.656 1.610 1.00 0.58 C ATOM 17 C ALA B 3 5.562 -10.324 1.603 1.00 0.63 C ATOM 18 O ALA B 3 4.506 -10.205 1.013 1.00 0.61 O ATOM 19 CB ALA B 3 6.050 -12.422 2.907 1.00 0.75 C ATOM 0 H ALA B 3 8.114 -10.652 2.156 1.00 0.63 H new ATOM 0 HA ALA B 3 5.963 -12.206 0.735 1.00 0.58 H new ATOM 0 HB1 ALA B 3 4.984 -12.627 3.001 1.00 0.75 H new ATOM 0 HB2 ALA B 3 6.600 -13.363 2.891 1.00 0.75 H new ATOM 0 HB3 ALA B 3 6.380 -11.823 3.756 1.00 0.75 H new ATOM 25 N GLN B 4 6.096 -9.320 2.241 1.00 0.75 N ATOM 26 CA GLN B 4 5.398 -8.006 2.245 1.00 0.89 C ATOM 27 C GLN B 4 5.495 -7.382 0.868 1.00 0.79 C ATOM 28 O GLN B 4 4.496 -7.093 0.239 1.00 0.81 O ATOM 29 CB GLN B 4 6.129 -7.147 3.275 1.00 1.09 C ATOM 30 CG GLN B 4 5.386 -5.821 3.424 1.00 1.29 C ATOM 31 CD GLN B 4 6.180 -4.865 4.306 1.00 0.85 C ATOM 32 OE1 GLN B 4 6.888 -5.282 5.202 1.00 1.14 O ATOM 33 NE2 GLN B 4 6.087 -3.583 4.084 1.00 0.94 N ATOM 0 H GLN B 4 6.977 -9.352 2.755 1.00 0.75 H new ATOM 0 HA GLN B 4 4.341 -8.101 2.493 1.00 0.89 H new ATOM 0 HB2 GLN B 4 6.175 -7.664 4.234 1.00 1.09 H new ATOM 0 HB3 GLN B 4 7.157 -6.970 2.958 1.00 1.09 H new ATOM 0 HG2 GLN B 4 5.227 -5.374 2.443 1.00 1.29 H new ATOM 0 HG3 GLN B 4 4.402 -5.995 3.859 1.00 1.29 H new ATOM 0 HE21 GLN B 4 5.492 -3.238 3.331 1.00 0.94 H new ATOM 0 HE22 GLN B 4 6.610 -2.926 4.663 1.00 0.94 H new ATOM 42 N THR B 5 6.690 -7.199 0.379 1.00 0.76 N ATOM 43 CA THR B 5 6.842 -6.625 -0.988 1.00 0.79 C ATOM 44 C THR B 5 5.920 -7.402 -1.924 1.00 0.59 C ATOM 45 O THR B 5 5.361 -6.868 -2.862 1.00 0.57 O ATOM 46 CB THR B 5 8.308 -6.840 -1.362 1.00 0.94 C ATOM 47 OG1 THR B 5 9.136 -6.094 -0.481 1.00 1.26 O ATOM 48 CG2 THR B 5 8.534 -6.373 -2.799 1.00 0.94 C ATOM 0 H THR B 5 7.561 -7.420 0.861 1.00 0.76 H new ATOM 0 HA THR B 5 6.583 -5.568 -1.049 1.00 0.79 H new ATOM 0 HB THR B 5 8.557 -7.898 -1.280 1.00 0.94 H new ATOM 0 HG1 THR B 5 10.076 -6.233 -0.720 1.00 1.26 H new ATOM 0 HG21 THR B 5 9.579 -6.524 -3.071 1.00 0.94 H new ATOM 0 HG22 THR B 5 7.897 -6.947 -3.472 1.00 0.94 H new ATOM 0 HG23 THR B 5 8.288 -5.314 -2.881 1.00 0.94 H new ATOM 56 N ARG B 6 5.730 -8.662 -1.632 1.00 0.48 N ATOM 57 CA ARG B 6 4.811 -9.490 -2.449 1.00 0.46 C ATOM 58 C ARG B 6 3.388 -9.086 -2.133 1.00 0.43 C ATOM 59 O ARG B 6 2.567 -8.902 -3.010 1.00 0.45 O ATOM 60 CB ARG B 6 5.020 -10.925 -1.977 1.00 0.56 C ATOM 61 CG ARG B 6 5.666 -11.752 -3.091 1.00 0.78 C ATOM 62 CD ARG B 6 6.628 -12.772 -2.477 1.00 1.03 C ATOM 63 NE ARG B 6 5.758 -13.897 -2.025 1.00 0.88 N ATOM 64 CZ ARG B 6 5.215 -14.715 -2.894 1.00 0.73 C ATOM 65 NH1 ARG B 6 5.424 -14.562 -4.177 1.00 1.43 N ATOM 66 NH2 ARG B 6 4.459 -15.691 -2.475 1.00 1.26 N ATOM 0 H ARG B 6 6.177 -9.151 -0.857 1.00 0.48 H new ATOM 0 HA ARG B 6 4.995 -9.375 -3.517 1.00 0.46 H new ATOM 0 HB2 ARG B 6 5.653 -10.936 -1.090 1.00 0.56 H new ATOM 0 HB3 ARG B 6 4.065 -11.366 -1.692 1.00 0.56 H new ATOM 0 HG2 ARG B 6 4.898 -12.264 -3.671 1.00 0.78 H new ATOM 0 HG3 ARG B 6 6.202 -11.099 -3.779 1.00 0.78 H new ATOM 0 HD2 ARG B 6 7.364 -13.110 -3.207 1.00 1.03 H new ATOM 0 HD3 ARG B 6 7.181 -12.341 -1.643 1.00 1.03 H new ATOM 0 HE ARG B 6 5.584 -14.031 -1.029 1.00 0.88 H new ATOM 0 HH11 ARG B 6 6.015 -13.800 -4.510 1.00 1.43 H new ATOM 0 HH12 ARG B 6 4.996 -15.205 -4.844 1.00 1.43 H new ATOM 0 HH21 ARG B 6 4.293 -15.815 -1.476 1.00 1.26 H new ATOM 0 HH22 ARG B 6 4.034 -16.331 -3.146 1.00 1.26 H new ATOM 80 N ARG B 7 3.087 -8.960 -0.868 1.00 0.61 N ATOM 81 CA ARG B 7 1.708 -8.583 -0.489 1.00 0.80 C ATOM 82 C ARG B 7 1.367 -7.229 -1.114 1.00 0.65 C ATOM 83 O ARG B 7 0.247 -6.979 -1.506 1.00 0.56 O ATOM 84 CB ARG B 7 1.705 -8.506 1.039 1.00 1.16 C ATOM 85 CG ARG B 7 0.389 -7.881 1.524 1.00 1.10 C ATOM 86 CD ARG B 7 0.531 -7.449 2.985 1.00 0.92 C ATOM 87 NE ARG B 7 -0.310 -6.226 3.117 1.00 0.41 N ATOM 88 CZ ARG B 7 -1.612 -6.302 3.113 1.00 0.93 C ATOM 89 NH1 ARG B 7 -2.215 -7.458 2.990 1.00 1.61 N ATOM 90 NH2 ARG B 7 -2.310 -5.208 3.234 1.00 1.08 N ATOM 0 H ARG B 7 3.734 -9.102 -0.092 1.00 0.61 H new ATOM 0 HA ARG B 7 0.964 -9.298 -0.840 1.00 0.80 H new ATOM 0 HB2 ARG B 7 1.823 -9.503 1.463 1.00 1.16 H new ATOM 0 HB3 ARG B 7 2.550 -7.911 1.384 1.00 1.16 H new ATOM 0 HG2 ARG B 7 0.133 -7.022 0.904 1.00 1.10 H new ATOM 0 HG3 ARG B 7 -0.424 -8.600 1.425 1.00 1.10 H new ATOM 0 HD2 ARG B 7 0.193 -8.234 3.662 1.00 0.92 H new ATOM 0 HD3 ARG B 7 1.571 -7.240 3.234 1.00 0.92 H new ATOM 0 HE ARG B 7 0.140 -5.315 3.212 1.00 0.41 H new ATOM 0 HH11 ARG B 7 -1.666 -8.312 2.896 1.00 1.61 H new ATOM 0 HH12 ARG B 7 -3.234 -7.504 2.988 1.00 1.61 H new ATOM 0 HH21 ARG B 7 -1.837 -4.309 3.330 1.00 1.08 H new ATOM 0 HH22 ARG B 7 -3.329 -5.250 3.233 1.00 1.08 H new ATOM 104 N ARG B 8 2.339 -6.363 -1.225 1.00 0.68 N ATOM 105 CA ARG B 8 2.085 -5.029 -1.845 1.00 0.67 C ATOM 106 C ARG B 8 1.483 -5.238 -3.220 1.00 0.48 C ATOM 107 O ARG B 8 0.542 -4.573 -3.605 1.00 0.50 O ATOM 108 CB ARG B 8 3.467 -4.372 -1.944 1.00 0.77 C ATOM 109 CG ARG B 8 3.381 -2.871 -1.634 1.00 0.73 C ATOM 110 CD ARG B 8 2.677 -2.622 -0.287 1.00 0.73 C ATOM 111 NE ARG B 8 3.039 -3.778 0.595 1.00 0.85 N ATOM 112 CZ ARG B 8 2.296 -4.088 1.629 1.00 1.05 C ATOM 113 NH1 ARG B 8 1.228 -3.394 1.918 1.00 1.16 N ATOM 114 NH2 ARG B 8 2.625 -5.099 2.381 1.00 1.43 N ATOM 0 H ARG B 8 3.297 -6.521 -0.914 1.00 0.68 H new ATOM 0 HA ARG B 8 1.393 -4.410 -1.274 1.00 0.67 H new ATOM 0 HB2 ARG B 8 4.154 -4.853 -1.248 1.00 0.77 H new ATOM 0 HB3 ARG B 8 3.873 -4.518 -2.945 1.00 0.77 H new ATOM 0 HG2 ARG B 8 4.384 -2.444 -1.608 1.00 0.73 H new ATOM 0 HG3 ARG B 8 2.838 -2.363 -2.431 1.00 0.73 H new ATOM 0 HD2 ARG B 8 3.002 -1.680 0.154 1.00 0.73 H new ATOM 0 HD3 ARG B 8 1.597 -2.556 -0.419 1.00 0.73 H new ATOM 0 HE ARG B 8 3.872 -4.329 0.389 1.00 0.85 H new ATOM 0 HH11 ARG B 8 0.963 -2.599 1.336 1.00 1.16 H new ATOM 0 HH12 ARG B 8 0.659 -3.647 2.726 1.00 1.16 H new ATOM 0 HH21 ARG B 8 3.458 -5.646 2.164 1.00 1.43 H new ATOM 0 HH22 ARG B 8 2.050 -5.344 3.187 1.00 1.43 H new ATOM 128 N GLU B 9 1.977 -6.199 -3.943 1.00 0.38 N ATOM 129 CA GLU B 9 1.374 -6.487 -5.269 1.00 0.34 C ATOM 130 C GLU B 9 -0.072 -6.887 -5.014 1.00 0.31 C ATOM 131 O GLU B 9 -0.974 -6.546 -5.753 1.00 0.34 O ATOM 132 CB GLU B 9 2.181 -7.646 -5.857 1.00 0.40 C ATOM 133 CG GLU B 9 3.651 -7.235 -5.992 1.00 0.59 C ATOM 134 CD GLU B 9 3.990 -7.020 -7.469 1.00 1.24 C ATOM 135 OE1 GLU B 9 3.411 -6.127 -8.065 1.00 1.73 O ATOM 136 OE2 GLU B 9 4.823 -7.752 -7.977 1.00 1.88 O ATOM 0 H GLU B 9 2.763 -6.792 -3.677 1.00 0.38 H new ATOM 0 HA GLU B 9 1.391 -5.643 -5.959 1.00 0.34 H new ATOM 0 HB2 GLU B 9 2.096 -8.523 -5.216 1.00 0.40 H new ATOM 0 HB3 GLU B 9 1.780 -7.924 -6.832 1.00 0.40 H new ATOM 0 HG2 GLU B 9 3.837 -6.320 -5.429 1.00 0.59 H new ATOM 0 HG3 GLU B 9 4.295 -8.006 -5.569 1.00 0.59 H new ATOM 143 N ARG B 10 -0.290 -7.561 -3.920 1.00 0.31 N ATOM 144 CA ARG B 10 -1.667 -7.942 -3.536 1.00 0.38 C ATOM 145 C ARG B 10 -2.400 -6.683 -3.089 1.00 0.35 C ATOM 146 O ARG B 10 -3.613 -6.647 -3.023 1.00 0.40 O ATOM 147 CB ARG B 10 -1.509 -8.914 -2.362 1.00 0.46 C ATOM 148 CG ARG B 10 -1.936 -10.317 -2.783 1.00 0.73 C ATOM 149 CD ARG B 10 -1.569 -11.308 -1.673 1.00 0.67 C ATOM 150 NE ARG B 10 -2.847 -12.000 -1.333 1.00 1.55 N ATOM 151 CZ ARG B 10 -3.379 -12.868 -2.159 1.00 2.12 C ATOM 152 NH1 ARG B 10 -2.800 -13.145 -3.300 1.00 3.14 N ATOM 153 NH2 ARG B 10 -4.497 -13.461 -1.841 1.00 2.20 N ATOM 0 H ARG B 10 0.437 -7.865 -3.273 1.00 0.31 H new ATOM 0 HA ARG B 10 -2.230 -8.399 -4.350 1.00 0.38 H new ATOM 0 HB2 ARG B 10 -0.472 -8.926 -2.027 1.00 0.46 H new ATOM 0 HB3 ARG B 10 -2.113 -8.579 -1.519 1.00 0.46 H new ATOM 0 HG2 ARG B 10 -3.010 -10.343 -2.970 1.00 0.73 H new ATOM 0 HG3 ARG B 10 -1.443 -10.596 -3.714 1.00 0.73 H new ATOM 0 HD2 ARG B 10 -0.814 -12.018 -2.012 1.00 0.67 H new ATOM 0 HD3 ARG B 10 -1.156 -10.793 -0.805 1.00 0.67 H new ATOM 0 HE ARG B 10 -3.312 -11.795 -0.448 1.00 1.55 H new ATOM 0 HH11 ARG B 10 -1.926 -12.684 -3.554 1.00 3.14 H new ATOM 0 HH12 ARG B 10 -3.223 -13.822 -3.935 1.00 3.14 H new ATOM 0 HH21 ARG B 10 -4.953 -13.248 -0.954 1.00 2.20 H new ATOM 0 HH22 ARG B 10 -4.915 -14.137 -2.480 1.00 2.20 H new ATOM 167 N ARG B 11 -1.665 -5.642 -2.787 1.00 0.29 N ATOM 168 CA ARG B 11 -2.318 -4.389 -2.356 1.00 0.29 C ATOM 169 C ARG B 11 -2.532 -3.465 -3.547 1.00 0.24 C ATOM 170 O ARG B 11 -3.012 -2.364 -3.392 1.00 0.25 O ATOM 171 CB ARG B 11 -1.364 -3.748 -1.350 1.00 0.32 C ATOM 172 CG ARG B 11 -1.230 -4.631 -0.096 1.00 0.41 C ATOM 173 CD ARG B 11 -2.620 -4.988 0.446 1.00 0.55 C ATOM 174 NE ARG B 11 -2.616 -6.479 0.531 1.00 1.59 N ATOM 175 CZ ARG B 11 -3.740 -7.153 0.600 1.00 2.18 C ATOM 176 NH1 ARG B 11 -4.894 -6.538 0.598 1.00 1.76 N ATOM 177 NH2 ARG B 11 -3.704 -8.456 0.672 1.00 3.24 N ATOM 0 H ARG B 11 -0.646 -5.615 -2.823 1.00 0.29 H new ATOM 0 HA ARG B 11 -3.298 -4.578 -1.917 1.00 0.29 H new ATOM 0 HB2 ARG B 11 -0.385 -3.605 -1.808 1.00 0.32 H new ATOM 0 HB3 ARG B 11 -1.731 -2.761 -1.069 1.00 0.32 H new ATOM 0 HG2 ARG B 11 -0.681 -5.541 -0.339 1.00 0.41 H new ATOM 0 HG3 ARG B 11 -0.656 -4.107 0.668 1.00 0.41 H new ATOM 0 HD2 ARG B 11 -2.794 -4.535 1.422 1.00 0.55 H new ATOM 0 HD3 ARG B 11 -3.408 -4.630 -0.216 1.00 0.55 H new ATOM 0 HE ARG B 11 -1.728 -6.980 0.535 1.00 1.59 H new ATOM 0 HH11 ARG B 11 -4.929 -5.520 0.542 1.00 1.76 H new ATOM 0 HH12 ARG B 11 -5.759 -7.076 0.652 1.00 1.76 H new ATOM 0 HH21 ARG B 11 -2.807 -8.942 0.674 1.00 3.24 H new ATOM 0 HH22 ARG B 11 -4.573 -8.988 0.726 1.00 3.24 H new ATOM 191 N ALA B 12 -2.211 -3.899 -4.742 1.00 0.24 N ATOM 192 CA ALA B 12 -2.449 -3.011 -5.920 1.00 0.28 C ATOM 193 C ALA B 12 -3.921 -2.602 -5.914 1.00 0.31 C ATOM 194 O ALA B 12 -4.290 -1.546 -6.392 1.00 0.33 O ATOM 195 CB ALA B 12 -2.120 -3.861 -7.148 1.00 0.34 C ATOM 0 H ALA B 12 -1.803 -4.810 -4.950 1.00 0.24 H new ATOM 0 HA ALA B 12 -1.844 -2.105 -5.909 1.00 0.28 H new ATOM 0 HB1 ALA B 12 -2.273 -3.270 -8.051 1.00 0.34 H new ATOM 0 HB2 ALA B 12 -1.080 -4.185 -7.098 1.00 0.34 H new ATOM 0 HB3 ALA B 12 -2.772 -4.735 -7.171 1.00 0.34 H new ATOM 201 N GLU B 13 -4.758 -3.425 -5.335 1.00 0.34 N ATOM 202 CA GLU B 13 -6.200 -3.083 -5.248 1.00 0.41 C ATOM 203 C GLU B 13 -6.383 -2.045 -4.144 1.00 0.38 C ATOM 204 O GLU B 13 -7.215 -1.165 -4.238 1.00 0.42 O ATOM 205 CB GLU B 13 -6.914 -4.389 -4.893 1.00 0.48 C ATOM 206 CG GLU B 13 -6.680 -5.421 -6.001 1.00 0.52 C ATOM 207 CD GLU B 13 -5.592 -6.404 -5.565 1.00 0.77 C ATOM 208 OE1 GLU B 13 -5.930 -7.382 -4.919 1.00 1.18 O ATOM 209 OE2 GLU B 13 -4.439 -6.160 -5.882 1.00 1.15 O ATOM 0 H GLU B 13 -4.499 -4.320 -4.919 1.00 0.34 H new ATOM 0 HA GLU B 13 -6.597 -2.666 -6.174 1.00 0.41 H new ATOM 0 HB2 GLU B 13 -6.543 -4.771 -3.942 1.00 0.48 H new ATOM 0 HB3 GLU B 13 -7.982 -4.209 -4.769 1.00 0.48 H new ATOM 0 HG2 GLU B 13 -7.605 -5.957 -6.214 1.00 0.52 H new ATOM 0 HG3 GLU B 13 -6.383 -4.920 -6.922 1.00 0.52 H new ATOM 216 N LYS B 14 -5.578 -2.118 -3.112 1.00 0.33 N ATOM 217 CA LYS B 14 -5.674 -1.107 -2.027 1.00 0.33 C ATOM 218 C LYS B 14 -4.956 0.150 -2.508 1.00 0.28 C ATOM 219 O LYS B 14 -5.351 1.267 -2.237 1.00 0.30 O ATOM 220 CB LYS B 14 -4.951 -1.735 -0.834 1.00 0.31 C ATOM 221 CG LYS B 14 -5.695 -2.996 -0.393 1.00 0.38 C ATOM 222 CD LYS B 14 -6.805 -2.622 0.595 1.00 1.23 C ATOM 223 CE LYS B 14 -6.646 -3.442 1.877 1.00 1.37 C ATOM 224 NZ LYS B 14 -7.453 -4.673 1.650 1.00 1.83 N ATOM 0 H LYS B 14 -4.863 -2.833 -2.979 1.00 0.33 H new ATOM 0 HA LYS B 14 -6.695 -0.837 -1.758 1.00 0.33 H new ATOM 0 HB2 LYS B 14 -3.925 -1.982 -1.106 1.00 0.31 H new ATOM 0 HB3 LYS B 14 -4.900 -1.023 -0.010 1.00 0.31 H new ATOM 0 HG2 LYS B 14 -6.121 -3.500 -1.260 1.00 0.38 H new ATOM 0 HG3 LYS B 14 -5.001 -3.695 0.073 1.00 0.38 H new ATOM 0 HD2 LYS B 14 -6.759 -1.557 0.824 1.00 1.23 H new ATOM 0 HD3 LYS B 14 -7.782 -2.810 0.149 1.00 1.23 H new ATOM 0 HE2 LYS B 14 -5.600 -3.685 2.063 1.00 1.37 H new ATOM 0 HE3 LYS B 14 -7.004 -2.890 2.746 1.00 1.37 H new ATOM 0 HZ1 LYS B 14 -7.393 -5.287 2.488 1.00 1.83 H new ATOM 0 HZ2 LYS B 14 -8.446 -4.411 1.483 1.00 1.83 H new ATOM 0 HZ3 LYS B 14 -7.085 -5.182 0.821 1.00 1.83 H new ATOM 238 N GLN B 15 -3.906 -0.055 -3.249 1.00 0.25 N ATOM 239 CA GLN B 15 -3.121 1.067 -3.815 1.00 0.24 C ATOM 240 C GLN B 15 -3.922 1.746 -4.917 1.00 0.28 C ATOM 241 O GLN B 15 -4.078 2.944 -4.934 1.00 0.28 O ATOM 242 CB GLN B 15 -1.878 0.389 -4.399 1.00 0.24 C ATOM 243 CG GLN B 15 -0.663 0.726 -3.540 1.00 0.25 C ATOM 244 CD GLN B 15 0.341 -0.422 -3.626 1.00 0.30 C ATOM 245 OE1 GLN B 15 0.047 -1.559 -3.060 1.00 0.35 O flip ATOM 246 NE2 GLN B 15 1.398 -0.284 -4.209 1.00 0.33 N flip ATOM 0 H GLN B 15 -3.552 -0.981 -3.491 1.00 0.25 H new ATOM 0 HA GLN B 15 -2.873 1.833 -3.080 1.00 0.24 H new ATOM 0 HB2 GLN B 15 -2.023 -0.691 -4.435 1.00 0.24 H new ATOM 0 HB3 GLN B 15 -1.716 0.723 -5.424 1.00 0.24 H new ATOM 0 HG2 GLN B 15 -0.205 1.653 -3.883 1.00 0.25 H new ATOM 0 HG3 GLN B 15 -0.966 0.884 -2.505 1.00 0.25 H new ATOM 0 HE21 GLN B 15 1.624 0.607 -4.651 1.00 0.33 H new ATOM 0 HE22 GLN B 15 2.059 -1.059 -4.257 1.00 0.33 H new ATOM 255 N ALA B 16 -4.437 0.982 -5.835 1.00 0.35 N ATOM 256 CA ALA B 16 -5.238 1.589 -6.936 1.00 0.41 C ATOM 257 C ALA B 16 -6.516 2.194 -6.362 1.00 0.40 C ATOM 258 O ALA B 16 -7.053 3.146 -6.894 1.00 0.43 O ATOM 259 CB ALA B 16 -5.558 0.438 -7.891 1.00 0.48 C ATOM 0 H ALA B 16 -4.340 -0.033 -5.873 1.00 0.35 H new ATOM 0 HA ALA B 16 -4.704 2.389 -7.450 1.00 0.41 H new ATOM 0 HB1 ALA B 16 -6.147 0.813 -8.728 1.00 0.48 H new ATOM 0 HB2 ALA B 16 -4.629 0.007 -8.265 1.00 0.48 H new ATOM 0 HB3 ALA B 16 -6.125 -0.327 -7.361 1.00 0.48 H new ATOM 265 N GLN B 17 -6.993 1.671 -5.263 1.00 0.40 N ATOM 266 CA GLN B 17 -8.217 2.252 -4.649 1.00 0.42 C ATOM 267 C GLN B 17 -7.806 3.505 -3.891 1.00 0.37 C ATOM 268 O GLN B 17 -8.510 4.496 -3.861 1.00 0.40 O ATOM 269 CB GLN B 17 -8.745 1.181 -3.696 1.00 0.45 C ATOM 270 CG GLN B 17 -9.596 0.177 -4.476 1.00 0.53 C ATOM 271 CD GLN B 17 -11.057 0.629 -4.464 1.00 0.66 C ATOM 272 OE1 GLN B 17 -11.777 0.372 -3.519 1.00 1.06 O ATOM 273 NE2 GLN B 17 -11.530 1.296 -5.481 1.00 1.33 N ATOM 0 H GLN B 17 -6.591 0.874 -4.770 1.00 0.40 H new ATOM 0 HA GLN B 17 -8.982 2.526 -5.375 1.00 0.42 H new ATOM 0 HB2 GLN B 17 -7.914 0.669 -3.211 1.00 0.45 H new ATOM 0 HB3 GLN B 17 -9.340 1.642 -2.907 1.00 0.45 H new ATOM 0 HG2 GLN B 17 -9.237 0.099 -5.502 1.00 0.53 H new ATOM 0 HG3 GLN B 17 -9.507 -0.814 -4.031 1.00 0.53 H new ATOM 0 HE21 GLN B 17 -10.926 1.512 -6.274 1.00 1.33 H new ATOM 0 HE22 GLN B 17 -12.503 1.601 -5.483 1.00 1.33 H new ATOM 282 N TRP B 18 -6.642 3.468 -3.311 1.00 0.32 N ATOM 283 CA TRP B 18 -6.128 4.653 -2.582 1.00 0.30 C ATOM 284 C TRP B 18 -5.628 5.667 -3.603 1.00 0.31 C ATOM 285 O TRP B 18 -5.937 6.841 -3.551 1.00 0.35 O ATOM 286 CB TRP B 18 -4.949 4.132 -1.762 1.00 0.25 C ATOM 287 CG TRP B 18 -4.231 5.295 -1.158 1.00 0.24 C ATOM 288 CD1 TRP B 18 -4.405 5.782 0.088 1.00 0.30 C ATOM 289 CD2 TRP B 18 -3.226 6.124 -1.779 1.00 0.24 C ATOM 290 NE1 TRP B 18 -3.573 6.882 0.251 1.00 0.31 N ATOM 291 CE2 TRP B 18 -2.820 7.120 -0.872 1.00 0.29 C ATOM 292 CE3 TRP B 18 -2.635 6.097 -3.036 1.00 0.28 C ATOM 293 CZ2 TRP B 18 -1.855 8.063 -1.214 1.00 0.34 C ATOM 294 CZ3 TRP B 18 -1.671 7.028 -3.383 1.00 0.36 C ATOM 295 CH2 TRP B 18 -1.278 8.010 -2.483 1.00 0.38 C ATOM 0 H TRP B 18 -6.020 2.659 -3.312 1.00 0.32 H new ATOM 0 HA TRP B 18 -6.883 5.128 -1.956 1.00 0.30 H new ATOM 0 HB2 TRP B 18 -5.301 3.459 -0.981 1.00 0.25 H new ATOM 0 HB3 TRP B 18 -4.273 3.559 -2.396 1.00 0.25 H new ATOM 0 HD1 TRP B 18 -5.078 5.384 0.833 1.00 0.30 H new ATOM 0 HE1 TRP B 18 -3.527 7.444 1.101 1.00 0.31 H new ATOM 0 HE3 TRP B 18 -2.931 5.342 -3.750 1.00 0.28 H new ATOM 0 HZ2 TRP B 18 -1.558 8.824 -0.508 1.00 0.34 H new ATOM 0 HZ3 TRP B 18 -1.220 6.990 -4.364 1.00 0.36 H new ATOM 0 HH2 TRP B 18 -0.526 8.732 -2.765 1.00 0.38 H new ATOM 306 N LYS B 19 -4.853 5.198 -4.535 1.00 0.30 N ATOM 307 CA LYS B 19 -4.303 6.091 -5.587 1.00 0.37 C ATOM 308 C LYS B 19 -5.462 6.721 -6.330 1.00 0.46 C ATOM 309 O LYS B 19 -5.407 7.861 -6.750 1.00 0.70 O ATOM 310 CB LYS B 19 -3.501 5.184 -6.525 1.00 0.40 C ATOM 311 CG LYS B 19 -2.151 4.824 -5.899 1.00 0.49 C ATOM 312 CD LYS B 19 -1.227 4.246 -6.974 1.00 0.96 C ATOM 313 CE LYS B 19 -1.801 2.925 -7.491 1.00 1.30 C ATOM 314 NZ LYS B 19 -0.618 2.148 -7.953 1.00 1.92 N ATOM 0 H LYS B 19 -4.573 4.220 -4.614 1.00 0.30 H new ATOM 0 HA LYS B 19 -3.677 6.886 -5.183 1.00 0.37 H new ATOM 0 HB2 LYS B 19 -4.066 4.275 -6.733 1.00 0.40 H new ATOM 0 HB3 LYS B 19 -3.343 5.686 -7.479 1.00 0.40 H new ATOM 0 HG2 LYS B 19 -1.698 5.709 -5.452 1.00 0.49 H new ATOM 0 HG3 LYS B 19 -2.292 4.099 -5.097 1.00 0.49 H new ATOM 0 HD2 LYS B 19 -1.122 4.954 -7.796 1.00 0.96 H new ATOM 0 HD3 LYS B 19 -0.231 4.085 -6.562 1.00 0.96 H new ATOM 0 HE2 LYS B 19 -2.340 2.394 -6.706 1.00 1.30 H new ATOM 0 HE3 LYS B 19 -2.506 3.092 -8.305 1.00 1.30 H new ATOM 0 HZ1 LYS B 19 -0.930 1.227 -8.322 1.00 1.92 H new ATOM 0 HZ2 LYS B 19 -0.129 2.675 -8.704 1.00 1.92 H new ATOM 0 HZ3 LYS B 19 0.032 1.998 -7.155 1.00 1.92 H new ATOM 328 N ALA B 20 -6.525 5.982 -6.481 1.00 0.44 N ATOM 329 CA ALA B 20 -7.702 6.536 -7.181 1.00 0.52 C ATOM 330 C ALA B 20 -8.235 7.742 -6.408 1.00 0.56 C ATOM 331 O ALA B 20 -8.809 8.653 -6.972 1.00 0.74 O ATOM 332 CB ALA B 20 -8.734 5.416 -7.198 1.00 0.55 C ATOM 0 H ALA B 20 -6.624 5.023 -6.149 1.00 0.44 H new ATOM 0 HA ALA B 20 -7.463 6.871 -8.190 1.00 0.52 H new ATOM 0 HB1 ALA B 20 -9.636 5.760 -7.704 1.00 0.55 H new ATOM 0 HB2 ALA B 20 -8.327 4.554 -7.727 1.00 0.55 H new ATOM 0 HB3 ALA B 20 -8.979 5.131 -6.175 1.00 0.55 H new ATOM 338 N ALA B 21 -8.043 7.751 -5.113 1.00 0.54 N ATOM 339 CA ALA B 21 -8.532 8.898 -4.298 1.00 0.66 C ATOM 340 C ALA B 21 -7.367 9.565 -3.575 1.00 0.73 C ATOM 341 O ALA B 21 -7.528 10.183 -2.541 1.00 0.99 O ATOM 342 CB ALA B 21 -9.523 8.296 -3.304 1.00 0.71 C ATOM 0 H ALA B 21 -7.570 7.015 -4.589 1.00 0.54 H new ATOM 0 HA ALA B 21 -9.002 9.668 -4.910 1.00 0.66 H new ATOM 0 HB1 ALA B 21 -9.925 9.085 -2.668 1.00 0.71 H new ATOM 0 HB2 ALA B 21 -10.338 7.817 -3.847 1.00 0.71 H new ATOM 0 HB3 ALA B 21 -9.014 7.556 -2.686 1.00 0.71 H new ATOM 348 N ASN B 22 -6.205 9.461 -4.142 1.00 0.73 N ATOM 349 CA ASN B 22 -5.002 10.104 -3.535 1.00 0.88 C ATOM 350 C ASN B 22 -3.952 10.391 -4.610 1.00 1.08 C ATOM 351 O ASN B 22 -2.793 10.070 -4.444 1.00 0.00 O ATOM 352 CB ASN B 22 -4.451 9.112 -2.517 1.00 0.93 C ATOM 353 CG ASN B 22 -5.452 8.940 -1.379 1.00 0.94 C ATOM 354 OD1 ASN B 22 -5.935 7.759 -1.143 1.00 1.13 O flip ATOM 355 ND2 ASN B 22 -5.794 9.888 -0.701 1.00 0.94 N flip ATOM 0 H ASN B 22 -6.029 8.954 -5.009 1.00 0.73 H new ATOM 0 HA ASN B 22 -5.259 11.054 -3.066 1.00 0.88 H new ATOM 0 HB2 ASN B 22 -4.261 8.152 -2.996 1.00 0.93 H new ATOM 0 HB3 ASN B 22 -3.498 9.468 -2.126 1.00 0.93 H new ATOM 0 HD21 ASN B 22 -5.412 10.815 -0.890 1.00 0.94 H new ATOM 0 HD22 ASN B 22 -6.463 9.758 0.057 1.00 0.94 H new ATOM 362 N PRO B 23 -4.388 11.020 -5.669 1.00 0.00 N ATOM 363 CA PRO B 23 -3.470 11.388 -6.758 1.00 0.00 C ATOM 364 C PRO B 23 -2.599 12.525 -6.247 1.00 0.00 C ATOM 365 O PRO B 23 -1.467 12.696 -6.647 1.00 0.00 O ATOM 366 CB PRO B 23 -4.394 11.839 -7.884 1.00 0.00 C ATOM 367 CG PRO B 23 -5.649 12.266 -7.199 1.00 0.00 C ATOM 368 CD PRO B 23 -5.752 11.454 -5.933 1.00 0.00 C ATOM 0 HA PRO B 23 -2.809 10.590 -7.098 1.00 0.00 H new ATOM 0 HB2 PRO B 23 -3.955 12.659 -8.452 1.00 0.00 H new ATOM 0 HB3 PRO B 23 -4.584 11.029 -8.588 1.00 0.00 H new ATOM 0 HG2 PRO B 23 -5.623 13.332 -6.973 1.00 0.00 H new ATOM 0 HG3 PRO B 23 -6.515 12.097 -7.838 1.00 0.00 H new ATOM 0 HD2 PRO B 23 -6.146 12.050 -5.110 1.00 0.00 H new ATOM 0 HD3 PRO B 23 -6.422 10.604 -6.060 1.00 0.00 H new ATOM 376 N LEU B 24 -3.125 13.288 -5.325 1.00 0.00 N ATOM 377 CA LEU B 24 -2.335 14.401 -4.735 1.00 0.00 C ATOM 378 C LEU B 24 -1.026 13.833 -4.190 1.00 0.00 C ATOM 379 O LEU B 24 0.021 14.446 -4.257 1.00 0.00 O ATOM 380 CB LEU B 24 -3.228 14.969 -3.610 1.00 0.00 C ATOM 381 CG LEU B 24 -2.989 14.235 -2.270 1.00 0.00 C ATOM 382 CD1 LEU B 24 -3.595 15.060 -1.134 1.00 0.00 C ATOM 383 CD2 LEU B 24 -3.649 12.843 -2.285 1.00 0.00 C ATOM 0 H LEU B 24 -4.070 13.185 -4.956 1.00 0.00 H new ATOM 0 HA LEU B 24 -2.073 15.182 -5.449 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -3.024 16.032 -3.485 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -4.276 14.877 -3.895 1.00 0.00 H new ATOM 0 HG LEU B 24 -1.916 14.114 -2.124 1.00 0.00 H new ATOM 0 HD11 LEU B 24 -3.431 14.549 -0.185 1.00 0.00 H new ATOM 0 HD12 LEU B 24 -3.122 16.041 -1.104 1.00 0.00 H new ATOM 0 HD13 LEU B 24 -4.666 15.179 -1.301 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -3.468 12.344 -1.333 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -4.722 12.951 -2.440 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -3.224 12.247 -3.093 1.00 0.00 H new ATOM 395 N LEU B 25 -1.094 12.632 -3.695 1.00 0.00 N ATOM 396 CA LEU B 25 0.113 11.946 -3.183 1.00 0.00 C ATOM 397 C LEU B 25 0.528 10.950 -4.249 1.00 0.00 C ATOM 398 O LEU B 25 0.951 9.843 -3.978 1.00 0.00 O ATOM 399 CB LEU B 25 -0.354 11.231 -1.916 1.00 0.00 C ATOM 400 CG LEU B 25 -0.096 12.123 -0.700 1.00 0.00 C ATOM 401 CD1 LEU B 25 -1.174 11.872 0.357 1.00 0.00 C ATOM 402 CD2 LEU B 25 1.278 11.795 -0.113 1.00 0.00 C ATOM 0 H LEU B 25 -1.954 12.089 -3.624 1.00 0.00 H new ATOM 0 HA LEU B 25 0.955 12.603 -2.965 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -1.416 10.996 -1.989 1.00 0.00 H new ATOM 0 HB3 LEU B 25 0.175 10.284 -1.804 1.00 0.00 H new ATOM 0 HG LEU B 25 -0.123 13.169 -1.004 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -0.990 12.508 1.223 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -2.154 12.103 -0.061 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -1.147 10.826 0.663 1.00 0.00 H new ATOM 0 HD21 LEU B 25 1.464 12.429 0.754 1.00 0.00 H new ATOM 0 HD22 LEU B 25 1.303 10.749 0.191 1.00 0.00 H new ATOM 0 HD23 LEU B 25 2.047 11.973 -0.865 1.00 0.00 H new ATOM 414 N VAL B 26 0.353 11.350 -5.471 1.00 0.00 N ATOM 415 CA VAL B 26 0.662 10.467 -6.614 1.00 0.00 C ATOM 416 C VAL B 26 0.847 11.315 -7.876 1.00 0.00 C ATOM 417 O VAL B 26 -0.064 11.976 -8.327 1.00 0.00 O ATOM 418 CB VAL B 26 -0.584 9.570 -6.705 1.00 0.00 C ATOM 419 CG1 VAL B 26 -1.078 9.475 -8.149 1.00 0.00 C ATOM 420 CG2 VAL B 26 -0.224 8.179 -6.188 1.00 0.00 C ATOM 0 H VAL B 26 0.001 12.272 -5.728 1.00 0.00 H new ATOM 0 HA VAL B 26 1.578 9.887 -6.503 1.00 0.00 H new ATOM 0 HB VAL B 26 -1.383 10.001 -6.101 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -1.960 8.836 -8.191 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -1.334 10.470 -8.512 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -0.293 9.051 -8.775 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -1.099 7.531 -6.247 1.00 0.00 H new ATOM 0 HG22 VAL B 26 0.578 7.761 -6.796 1.00 0.00 H new ATOM 0 HG23 VAL B 26 0.106 8.250 -5.152 1.00 0.00 H new ATOM 430 N GLY B 27 2.019 11.308 -8.443 1.00 0.00 N ATOM 431 CA GLY B 27 2.252 12.132 -9.666 1.00 0.00 C ATOM 432 C GLY B 27 2.131 13.613 -9.290 1.00 0.00 C ATOM 433 O GLY B 27 3.105 14.339 -9.273 1.00 0.00 O ATOM 0 H GLY B 27 2.823 10.772 -8.117 1.00 0.00 H new ATOM 0 HA2 GLY B 27 3.240 11.926 -10.078 1.00 0.00 H new ATOM 0 HA3 GLY B 27 1.525 11.877 -10.438 1.00 0.00 H new ATOM 437 N VAL B 28 0.942 14.059 -8.969 1.00 0.00 N ATOM 438 CA VAL B 28 0.753 15.486 -8.570 1.00 0.00 C ATOM 439 C VAL B 28 1.707 15.830 -7.426 1.00 0.00 C ATOM 440 O VAL B 28 2.075 14.978 -6.640 1.00 0.00 O ATOM 441 CB VAL B 28 -0.700 15.587 -8.100 1.00 0.00 C ATOM 442 CG1 VAL B 28 -0.993 17.021 -7.647 1.00 0.00 C ATOM 443 CG2 VAL B 28 -1.634 15.217 -9.254 1.00 0.00 C ATOM 0 H VAL B 28 0.093 13.494 -8.966 1.00 0.00 H new ATOM 0 HA VAL B 28 0.959 16.176 -9.388 1.00 0.00 H new ATOM 0 HB VAL B 28 -0.861 14.903 -7.267 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -2.028 17.093 -7.312 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -0.327 17.286 -6.826 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -0.833 17.706 -8.480 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -2.669 15.288 -8.921 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -1.472 15.902 -10.087 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -1.426 14.197 -9.577 1.00 0.00 H new ATOM 453 N SER B 29 2.114 17.067 -7.327 1.00 0.00 N ATOM 454 CA SER B 29 3.051 17.459 -6.234 1.00 0.00 C ATOM 455 C SER B 29 4.269 16.528 -6.233 1.00 0.00 C ATOM 456 O SER B 29 4.404 15.677 -7.092 1.00 0.00 O ATOM 457 CB SER B 29 2.252 17.303 -4.939 1.00 0.00 C ATOM 458 OG SER B 29 1.590 18.525 -4.645 1.00 0.00 O ATOM 0 H SER B 29 1.839 17.822 -7.955 1.00 0.00 H new ATOM 0 HA SER B 29 3.423 18.476 -6.354 1.00 0.00 H new ATOM 0 HB2 SER B 29 1.525 16.498 -5.042 1.00 0.00 H new ATOM 0 HB3 SER B 29 2.916 17.030 -4.119 1.00 0.00 H new ATOM 0 HG SER B 29 1.076 18.427 -3.816 1.00 0.00 H new ATOM 464 N ALA B 30 5.152 16.676 -5.281 1.00 0.00 N ATOM 465 CA ALA B 30 6.357 15.791 -5.231 1.00 0.00 C ATOM 466 C ALA B 30 7.031 15.725 -6.606 1.00 0.00 C ATOM 467 O ALA B 30 7.269 14.660 -7.141 1.00 0.00 O ATOM 468 CB ALA B 30 5.822 14.414 -4.827 1.00 0.00 C ATOM 0 H ALA B 30 5.093 17.370 -4.536 1.00 0.00 H new ATOM 0 HA ALA B 30 7.107 16.159 -4.531 1.00 0.00 H new ATOM 0 HB1 ALA B 30 6.648 13.706 -4.768 1.00 0.00 H new ATOM 0 HB2 ALA B 30 5.334 14.484 -3.855 1.00 0.00 H new ATOM 0 HB3 ALA B 30 5.102 14.071 -5.570 1.00 0.00 H new ATOM 474 N LYS B 31 7.330 16.857 -7.183 1.00 0.00 N ATOM 475 CA LYS B 31 7.979 16.865 -8.527 1.00 0.00 C ATOM 476 C LYS B 31 8.511 18.267 -8.853 1.00 0.00 C ATOM 477 O LYS B 31 8.127 19.234 -8.224 1.00 0.00 O ATOM 478 CB LYS B 31 6.864 16.471 -9.502 1.00 0.00 C ATOM 479 CG LYS B 31 5.721 17.486 -9.420 1.00 0.00 C ATOM 480 CD LYS B 31 4.720 17.223 -10.546 1.00 0.00 C ATOM 481 CE LYS B 31 3.469 18.079 -10.330 1.00 0.00 C ATOM 482 NZ LYS B 31 3.100 18.569 -11.687 1.00 0.00 N ATOM 0 H LYS B 31 7.153 17.778 -6.782 1.00 0.00 H new ATOM 0 HA LYS B 31 8.830 16.186 -8.581 1.00 0.00 H new ATOM 0 HB2 LYS B 31 7.255 16.431 -10.519 1.00 0.00 H new ATOM 0 HB3 LYS B 31 6.495 15.474 -9.263 1.00 0.00 H new ATOM 0 HG2 LYS B 31 5.224 17.412 -8.453 1.00 0.00 H new ATOM 0 HG3 LYS B 31 6.115 18.499 -9.499 1.00 0.00 H new ATOM 0 HD2 LYS B 31 5.172 17.457 -11.510 1.00 0.00 H new ATOM 0 HD3 LYS B 31 4.451 16.167 -10.568 1.00 0.00 H new ATOM 0 HE2 LYS B 31 2.662 17.494 -9.888 1.00 0.00 H new ATOM 0 HE3 LYS B 31 3.670 18.908 -9.652 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 2.250 19.164 -11.622 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 3.885 19.128 -12.080 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 2.908 17.758 -12.309 1.00 0.00 H new ATOM 496 N PRO B 32 9.377 18.334 -9.833 1.00 0.00 N ATOM 497 CA PRO B 32 9.959 19.637 -10.241 1.00 0.00 C ATOM 498 C PRO B 32 8.917 20.472 -10.991 1.00 0.00 C ATOM 499 O PRO B 32 7.768 20.092 -11.103 1.00 0.00 O ATOM 500 CB PRO B 32 11.110 19.244 -11.164 1.00 0.00 C ATOM 501 CG PRO B 32 10.740 17.895 -11.693 1.00 0.00 C ATOM 502 CD PRO B 32 9.894 17.222 -10.642 1.00 0.00 C ATOM 0 HA PRO B 32 10.287 20.244 -9.397 1.00 0.00 H new ATOM 0 HB2 PRO B 32 11.231 19.965 -11.972 1.00 0.00 H new ATOM 0 HB3 PRO B 32 12.056 19.210 -10.623 1.00 0.00 H new ATOM 0 HG2 PRO B 32 10.190 17.986 -12.630 1.00 0.00 H new ATOM 0 HG3 PRO B 32 11.633 17.306 -11.904 1.00 0.00 H new ATOM 0 HD2 PRO B 32 9.085 16.645 -11.090 1.00 0.00 H new ATOM 0 HD3 PRO B 32 10.482 16.530 -10.039 1.00 0.00 H new ATOM 510 N VAL B 33 9.310 21.606 -11.506 1.00 0.00 N ATOM 511 CA VAL B 33 8.342 22.466 -12.249 1.00 0.00 C ATOM 512 C VAL B 33 8.061 21.875 -13.634 1.00 0.00 C ATOM 513 O VAL B 33 8.881 21.177 -14.198 1.00 0.00 O ATOM 514 CB VAL B 33 9.026 23.831 -12.371 1.00 0.00 C ATOM 515 CG1 VAL B 33 9.289 24.399 -10.974 1.00 0.00 C ATOM 516 CG2 VAL B 33 10.358 23.680 -13.117 1.00 0.00 C ATOM 0 H VAL B 33 10.259 21.975 -11.445 1.00 0.00 H new ATOM 0 HA VAL B 33 7.382 22.540 -11.737 1.00 0.00 H new ATOM 0 HB VAL B 33 8.376 24.508 -12.925 1.00 0.00 H new ATOM 0 HG11 VAL B 33 9.776 25.370 -11.062 1.00 0.00 H new ATOM 0 HG12 VAL B 33 8.344 24.514 -10.444 1.00 0.00 H new ATOM 0 HG13 VAL B 33 9.935 23.718 -10.420 1.00 0.00 H new ATOM 0 HG21 VAL B 33 10.840 24.654 -13.201 1.00 0.00 H new ATOM 0 HG22 VAL B 33 11.008 22.999 -12.567 1.00 0.00 H new ATOM 0 HG23 VAL B 33 10.173 23.279 -14.114 1.00 0.00 H new ATOM 526 N ASN B 34 6.908 22.150 -14.184 1.00 0.00 N ATOM 527 CA ASN B 34 6.575 21.605 -15.533 1.00 0.00 C ATOM 528 C ASN B 34 6.602 22.725 -16.579 1.00 0.00 C ATOM 529 O ASN B 34 5.640 22.949 -17.287 1.00 0.00 O ATOM 530 CB ASN B 34 5.163 21.028 -15.392 1.00 0.00 C ATOM 531 CG ASN B 34 4.176 22.146 -15.043 1.00 0.00 C ATOM 532 OD1 ASN B 34 4.518 23.078 -14.341 1.00 0.00 O ATOM 533 ND2 ASN B 34 2.958 22.092 -15.505 1.00 0.00 N ATOM 0 H ASN B 34 6.183 22.728 -13.758 1.00 0.00 H new ATOM 0 HA ASN B 34 7.290 20.850 -15.862 1.00 0.00 H new ATOM 0 HB2 ASN B 34 4.864 20.544 -16.322 1.00 0.00 H new ATOM 0 HB3 ASN B 34 5.149 20.263 -14.616 1.00 0.00 H new ATOM 0 HD21 ASN B 34 2.293 22.831 -15.277 1.00 0.00 H new ATOM 0 HD22 ASN B 34 2.670 21.311 -16.094 1.00 0.00 H new ATOM 540 N ARG B 35 7.698 23.428 -16.679 1.00 0.00 N ATOM 541 CA ARG B 35 7.790 24.533 -17.678 1.00 0.00 C ATOM 542 C ARG B 35 9.147 24.492 -18.392 1.00 0.00 C ATOM 543 O ARG B 35 9.980 25.351 -18.187 1.00 0.00 O ATOM 544 CB ARG B 35 7.650 25.818 -16.860 1.00 0.00 C ATOM 545 CG ARG B 35 7.655 27.025 -17.801 1.00 0.00 C ATOM 546 CD ARG B 35 7.059 28.240 -17.084 1.00 0.00 C ATOM 547 NE ARG B 35 5.794 28.540 -17.815 1.00 0.00 N ATOM 548 CZ ARG B 35 5.823 29.057 -19.019 1.00 0.00 C ATOM 549 NH1 ARG B 35 6.964 29.321 -19.606 1.00 0.00 N ATOM 550 NH2 ARG B 35 4.705 29.312 -19.640 1.00 0.00 N ATOM 0 H ARG B 35 8.534 23.285 -16.112 1.00 0.00 H new ATOM 0 HA ARG B 35 7.025 24.457 -18.451 1.00 0.00 H new ATOM 0 HB2 ARG B 35 6.725 25.796 -16.284 1.00 0.00 H new ATOM 0 HB3 ARG B 35 8.469 25.898 -16.145 1.00 0.00 H new ATOM 0 HG2 ARG B 35 8.673 27.244 -18.123 1.00 0.00 H new ATOM 0 HG3 ARG B 35 7.078 26.801 -18.699 1.00 0.00 H new ATOM 0 HD2 ARG B 35 6.865 28.022 -16.034 1.00 0.00 H new ATOM 0 HD3 ARG B 35 7.742 29.089 -17.113 1.00 0.00 H new ATOM 0 HE ARG B 35 4.897 28.341 -17.373 1.00 0.00 H new ATOM 0 HH11 ARG B 35 7.842 29.124 -19.126 1.00 0.00 H new ATOM 0 HH12 ARG B 35 6.974 29.723 -20.543 1.00 0.00 H new ATOM 0 HH21 ARG B 35 3.813 29.109 -19.189 1.00 0.00 H new ATOM 0 HH22 ARG B 35 4.722 29.714 -20.577 1.00 0.00 H new ATOM 564 N PRO B 36 9.323 23.487 -19.213 1.00 0.00 N ATOM 565 CA PRO B 36 10.593 23.336 -19.964 1.00 0.00 C ATOM 566 C PRO B 36 10.677 24.373 -21.087 1.00 0.00 C ATOM 567 O PRO B 36 10.085 24.139 -22.128 1.00 0.00 O ATOM 568 CB PRO B 36 10.507 21.923 -20.534 1.00 0.00 C ATOM 569 CG PRO B 36 9.044 21.623 -20.609 1.00 0.00 C ATOM 570 CD PRO B 36 8.371 22.411 -19.516 1.00 0.00 C ATOM 571 OXT PRO B 36 11.332 25.383 -20.887 1.00 0.00 O ATOM 0 HA PRO B 36 11.477 23.487 -19.345 1.00 0.00 H new ATOM 0 HB2 PRO B 36 10.972 21.866 -21.518 1.00 0.00 H new ATOM 0 HB3 PRO B 36 11.024 21.208 -19.895 1.00 0.00 H new ATOM 0 HG2 PRO B 36 8.644 21.899 -21.585 1.00 0.00 H new ATOM 0 HG3 PRO B 36 8.863 20.556 -20.481 1.00 0.00 H new ATOM 0 HD2 PRO B 36 7.411 22.809 -19.845 1.00 0.00 H new ATOM 0 HD3 PRO B 36 8.177 21.792 -18.640 1.00 0.00 H new TER 579 PRO B 36 ATOM 580 P G A 1 12.504 -18.344 -0.695 1.00 1.31 P ATOM 581 OP1 G A 1 11.447 -19.365 -0.482 1.00 1.51 O ATOM 582 OP2 G A 1 13.698 -18.684 -1.512 1.00 1.52 O ATOM 583 O5' G A 1 13.001 -17.839 0.731 1.00 1.09 O ATOM 584 C5' G A 1 12.130 -17.083 1.594 1.00 1.03 C ATOM 585 C4' G A 1 11.229 -18.016 2.370 1.00 0.94 C ATOM 586 O4' G A 1 11.483 -17.827 3.782 1.00 1.02 O ATOM 587 C3' G A 1 9.743 -17.738 2.206 1.00 0.80 C ATOM 588 O3' G A 1 9.263 -18.431 1.045 1.00 0.75 O ATOM 589 C2' G A 1 9.152 -18.258 3.516 1.00 0.78 C ATOM 590 O2' G A 1 8.863 -19.643 3.491 1.00 0.77 O ATOM 591 C1' G A 1 10.282 -17.994 4.509 1.00 0.90 C ATOM 592 N9 G A 1 10.053 -16.783 5.283 1.00 0.90 N ATOM 593 C8 G A 1 10.616 -15.548 5.075 1.00 0.97 C ATOM 594 N7 G A 1 10.214 -14.653 5.934 1.00 0.99 N ATOM 595 C5 G A 1 9.331 -15.341 6.755 1.00 0.90 C ATOM 596 C6 G A 1 8.578 -14.894 7.862 1.00 0.88 C ATOM 597 O6 G A 1 8.543 -13.767 8.356 1.00 0.94 O ATOM 598 N1 G A 1 7.804 -15.917 8.410 1.00 0.82 N ATOM 599 C2 G A 1 7.768 -17.207 7.939 1.00 0.81 C ATOM 600 N2 G A 1 6.962 -18.058 8.596 1.00 0.83 N ATOM 601 N3 G A 1 8.468 -17.636 6.904 1.00 0.83 N ATOM 602 C4 G A 1 9.223 -16.656 6.365 1.00 0.86 C ATOM 0 H5' G A 1 11.529 -16.393 1.002 1.00 1.03 H new ATOM 0 H5'' G A 1 12.722 -16.480 2.283 1.00 1.03 H new ATOM 0 H4' G A 1 11.449 -19.014 1.990 1.00 0.94 H new ATOM 0 H3' G A 1 9.477 -16.693 2.044 1.00 0.80 H new ATOM 0 H2' G A 1 8.201 -17.778 3.748 1.00 0.78 H new ATOM 0 HO2' G A 1 7.895 -19.774 3.413 1.00 0.77 H new ATOM 0 H1' G A 1 10.334 -18.839 5.196 1.00 0.90 H new ATOM 0 H8 G A 1 11.319 -15.339 4.282 1.00 0.97 H new ATOM 0 H1 G A 1 7.224 -15.691 9.218 1.00 0.82 H new ATOM 0 H21 G A 1 6.892 -19.030 8.294 1.00 0.83 H new ATOM 0 H22 G A 1 6.420 -17.732 9.396 1.00 0.83 H new ATOM 614 P C A 2 7.900 -19.289 1.106 1.00 0.69 P ATOM 615 OP1 C A 2 8.243 -20.686 1.476 1.00 0.84 O ATOM 616 OP2 C A 2 7.161 -19.028 -0.157 1.00 0.82 O ATOM 617 O5' C A 2 7.069 -18.642 2.298 1.00 0.58 O ATOM 618 C5' C A 2 6.414 -17.375 2.139 1.00 0.57 C ATOM 619 C4' C A 2 5.176 -17.322 2.999 1.00 0.55 C ATOM 620 O4' C A 2 5.580 -17.090 4.370 1.00 0.54 O ATOM 621 C3' C A 2 4.240 -16.171 2.678 1.00 0.51 C ATOM 622 O3' C A 2 3.318 -16.557 1.661 1.00 0.59 O ATOM 623 C2' C A 2 3.526 -15.934 4.004 1.00 0.53 C ATOM 624 O2' C A 2 2.388 -16.759 4.168 1.00 0.67 O ATOM 625 C1' C A 2 4.600 -16.312 5.029 1.00 0.51 C ATOM 626 N1 C A 2 5.267 -15.143 5.618 1.00 0.45 N ATOM 627 C2 C A 2 4.767 -14.630 6.813 1.00 0.44 C ATOM 628 O2 C A 2 3.789 -15.188 7.335 1.00 0.49 O ATOM 629 N3 C A 2 5.357 -13.550 7.370 1.00 0.43 N ATOM 630 C4 C A 2 6.409 -12.986 6.774 1.00 0.45 C ATOM 631 N4 C A 2 6.959 -11.919 7.357 1.00 0.49 N ATOM 632 C5 C A 2 6.942 -13.491 5.553 1.00 0.47 C ATOM 633 C6 C A 2 6.349 -14.564 5.012 1.00 0.46 C ATOM 0 H5' C A 2 6.147 -17.223 1.093 1.00 0.57 H new ATOM 0 H5'' C A 2 7.093 -16.568 2.415 1.00 0.57 H new ATOM 0 H4' C A 2 4.660 -18.266 2.823 1.00 0.55 H new ATOM 0 H3' C A 2 4.747 -15.282 2.303 1.00 0.51 H new ATOM 0 H2' C A 2 3.148 -14.915 4.092 1.00 0.53 H new ATOM 0 HO2' C A 2 2.201 -17.229 3.329 1.00 0.67 H new ATOM 0 H1' C A 2 4.109 -16.854 5.837 1.00 0.51 H new ATOM 0 H41 C A 2 7.765 -11.463 6.929 1.00 0.49 H new ATOM 0 H42 C A 2 6.574 -11.560 8.231 1.00 0.49 H new ATOM 0 H5 C A 2 7.794 -13.025 5.080 1.00 0.47 H new ATOM 0 H6 C A 2 6.729 -14.976 4.089 1.00 0.46 H new ATOM 645 P C A 3 2.225 -15.503 1.135 1.00 0.67 P ATOM 646 OP1 C A 3 0.887 -16.144 1.207 1.00 1.20 O ATOM 647 OP2 C A 3 2.714 -14.966 -0.161 1.00 1.00 O ATOM 648 O5' C A 3 2.279 -14.330 2.210 1.00 0.89 O ATOM 649 C5' C A 3 1.248 -13.328 2.262 1.00 0.68 C ATOM 650 C4' C A 3 0.663 -13.257 3.651 1.00 0.61 C ATOM 651 O4' C A 3 1.754 -13.361 4.599 1.00 0.67 O ATOM 652 C3' C A 3 0.002 -11.930 3.970 1.00 0.56 C ATOM 653 O3' C A 3 -1.372 -11.937 3.559 1.00 0.57 O ATOM 654 C2' C A 3 0.177 -11.805 5.483 1.00 0.57 C ATOM 655 O2' C A 3 -0.836 -12.439 6.238 1.00 0.64 O ATOM 656 C1' C A 3 1.504 -12.529 5.717 1.00 0.62 C ATOM 657 N1 C A 3 2.637 -11.599 5.838 1.00 0.61 N ATOM 658 C2 C A 3 2.739 -10.799 6.978 1.00 0.56 C ATOM 659 O2 C A 3 1.871 -10.895 7.856 1.00 0.55 O ATOM 660 N3 C A 3 3.780 -9.942 7.092 1.00 0.58 N ATOM 661 C4 C A 3 4.692 -9.869 6.122 1.00 0.65 C ATOM 662 N4 C A 3 5.703 -9.011 6.276 1.00 0.71 N ATOM 663 C5 C A 3 4.610 -10.673 4.949 1.00 0.71 C ATOM 664 C6 C A 3 3.576 -11.517 4.848 1.00 0.68 C ATOM 0 H5' C A 3 0.465 -13.563 1.541 1.00 0.68 H new ATOM 0 H5'' C A 3 1.659 -12.358 1.982 1.00 0.68 H new ATOM 0 H4' C A 3 -0.079 -14.053 3.710 1.00 0.61 H new ATOM 0 H3' C A 3 0.436 -11.080 3.445 1.00 0.56 H new ATOM 0 H2' C A 3 0.139 -10.762 5.798 1.00 0.57 H new ATOM 0 HO2' C A 3 -0.980 -13.346 5.895 1.00 0.64 H new ATOM 0 H1' C A 3 1.418 -13.089 6.648 1.00 0.62 H new ATOM 0 H41 C A 3 6.418 -8.930 5.553 1.00 0.71 H new ATOM 0 H42 C A 3 5.761 -8.436 7.117 1.00 0.71 H new ATOM 0 H5 C A 3 5.355 -10.604 4.170 1.00 0.71 H new ATOM 0 H6 C A 3 3.482 -12.142 3.972 1.00 0.68 H new ATOM 676 P C A 4 -2.482 -12.702 4.436 1.00 0.57 P ATOM 677 OP1 C A 4 -1.830 -13.876 5.071 1.00 0.60 O ATOM 678 OP2 C A 4 -3.680 -12.906 3.582 1.00 0.73 O ATOM 679 O5' C A 4 -2.860 -11.641 5.563 1.00 0.61 O ATOM 680 C5' C A 4 -2.688 -10.230 5.326 1.00 0.51 C ATOM 681 C4' C A 4 -2.623 -9.479 6.633 1.00 0.47 C ATOM 682 O4' C A 4 -1.302 -9.645 7.202 1.00 0.55 O ATOM 683 C3' C A 4 -2.797 -7.977 6.495 1.00 0.45 C ATOM 684 O3' C A 4 -4.182 -7.646 6.562 1.00 0.51 O ATOM 685 C2' C A 4 -2.039 -7.432 7.700 1.00 0.47 C ATOM 686 O2' C A 4 -2.836 -7.368 8.867 1.00 0.57 O ATOM 687 C1' C A 4 -0.924 -8.462 7.879 1.00 0.48 C ATOM 688 N1 C A 4 0.363 -8.018 7.325 1.00 0.43 N ATOM 689 C2 C A 4 1.085 -7.024 7.990 1.00 0.39 C ATOM 690 O2 C A 4 0.612 -6.524 9.020 1.00 0.43 O ATOM 691 N3 C A 4 2.278 -6.635 7.490 1.00 0.38 N ATOM 692 C4 C A 4 2.748 -7.197 6.375 1.00 0.45 C ATOM 693 N4 C A 4 3.926 -6.792 5.917 1.00 0.51 N ATOM 694 C5 C A 4 2.029 -8.202 5.678 1.00 0.51 C ATOM 695 C6 C A 4 0.853 -8.579 6.179 1.00 0.48 C ATOM 0 H5' C A 4 -3.515 -9.853 4.724 1.00 0.51 H new ATOM 0 H5'' C A 4 -1.775 -10.060 4.756 1.00 0.51 H new ATOM 0 H4' C A 4 -3.434 -9.884 7.239 1.00 0.47 H new ATOM 0 H3' C A 4 -2.432 -7.571 5.552 1.00 0.45 H new ATOM 0 H2' C A 4 -1.696 -6.409 7.543 1.00 0.47 H new ATOM 0 HO2' C A 4 -3.744 -7.673 8.660 1.00 0.57 H new ATOM 0 H1' C A 4 -0.791 -8.616 8.950 1.00 0.48 H new ATOM 0 H41 C A 4 4.311 -7.203 5.067 1.00 0.51 H new ATOM 0 H42 C A 4 4.446 -6.070 6.415 1.00 0.51 H new ATOM 0 H5 C A 4 2.420 -8.645 4.774 1.00 0.51 H new ATOM 0 H6 C A 4 0.278 -9.340 5.672 1.00 0.48 H new ATOM 707 P U A 5 -4.730 -6.350 5.792 1.00 0.57 P ATOM 708 OP1 U A 5 -6.207 -6.307 5.949 1.00 0.77 O ATOM 709 OP2 U A 5 -4.142 -6.362 4.437 1.00 0.62 O ATOM 710 O5' U A 5 -4.111 -5.133 6.612 1.00 0.49 O ATOM 711 C5' U A 5 -4.543 -4.877 7.956 1.00 0.45 C ATOM 712 C4' U A 5 -3.735 -3.764 8.574 1.00 0.41 C ATOM 713 O4' U A 5 -2.385 -4.226 8.823 1.00 0.47 O ATOM 714 C3' U A 5 -3.524 -2.546 7.694 1.00 0.35 C ATOM 715 O3' U A 5 -4.636 -1.654 7.759 1.00 0.36 O ATOM 716 C2' U A 5 -2.291 -1.901 8.310 1.00 0.41 C ATOM 717 O2' U A 5 -2.602 -1.018 9.371 1.00 0.50 O ATOM 718 C1' U A 5 -1.519 -3.109 8.841 1.00 0.43 C ATOM 719 N1 U A 5 -0.327 -3.383 8.029 1.00 0.43 N ATOM 720 C2 U A 5 0.745 -2.549 8.238 1.00 0.40 C ATOM 721 O2 U A 5 0.720 -1.645 9.058 1.00 0.39 O ATOM 722 N3 U A 5 1.842 -2.804 7.458 1.00 0.43 N ATOM 723 C4 U A 5 1.972 -3.783 6.506 1.00 0.50 C ATOM 724 O4 U A 5 3.027 -3.870 5.874 1.00 0.54 O ATOM 725 C5 U A 5 0.818 -4.616 6.345 1.00 0.55 C ATOM 726 C6 U A 5 -0.273 -4.396 7.097 1.00 0.51 C ATOM 0 H5' U A 5 -4.441 -5.782 8.554 1.00 0.45 H new ATOM 0 H5'' U A 5 -5.600 -4.610 7.959 1.00 0.45 H new ATOM 0 H4' U A 5 -4.313 -3.489 9.457 1.00 0.41 H new ATOM 0 H3' U A 5 -3.413 -2.798 6.639 1.00 0.35 H new ATOM 0 H2' U A 5 -1.746 -1.289 7.591 1.00 0.41 H new ATOM 0 HO2' U A 5 -3.552 -0.779 9.330 1.00 0.50 H new ATOM 0 H1' U A 5 -1.179 -2.902 9.856 1.00 0.43 H new ATOM 0 H3 U A 5 2.651 -2.199 7.601 1.00 0.43 H new ATOM 0 H5 U A 5 0.825 -5.418 5.622 1.00 0.55 H new ATOM 0 H6 U A 5 -1.135 -5.033 6.967 1.00 0.51 H new ATOM 737 P G A 6 -4.999 -0.741 6.485 1.00 0.43 P ATOM 738 OP1 G A 6 -6.476 -0.719 6.337 1.00 0.65 O ATOM 739 OP2 G A 6 -4.158 -1.211 5.354 1.00 0.54 O ATOM 740 O5' G A 6 -4.519 0.727 6.888 1.00 0.43 O ATOM 741 C5' G A 6 -3.175 0.977 7.350 1.00 0.47 C ATOM 742 C4' G A 6 -2.410 1.794 6.333 1.00 0.47 C ATOM 743 O4' G A 6 -1.005 1.442 6.420 1.00 0.53 O ATOM 744 C3' G A 6 -2.773 1.501 4.889 1.00 0.39 C ATOM 745 O3' G A 6 -3.879 2.304 4.485 1.00 0.41 O ATOM 746 C2' G A 6 -1.507 1.888 4.133 1.00 0.48 C ATOM 747 O2' G A 6 -1.468 3.262 3.792 1.00 0.59 O ATOM 748 C1' G A 6 -0.402 1.565 5.142 1.00 0.49 C ATOM 749 N9 G A 6 0.282 0.311 4.843 1.00 0.50 N ATOM 750 C8 G A 6 -0.232 -0.953 4.977 1.00 0.60 C ATOM 751 N7 G A 6 0.616 -1.890 4.647 1.00 0.63 N ATOM 752 C5 G A 6 1.760 -1.201 4.266 1.00 0.54 C ATOM 753 C6 G A 6 3.008 -1.683 3.792 1.00 0.55 C ATOM 754 O6 G A 6 3.370 -2.853 3.630 1.00 0.61 O ATOM 755 N1 G A 6 3.886 -0.643 3.496 1.00 0.55 N ATOM 756 C2 G A 6 3.595 0.691 3.643 1.00 0.57 C ATOM 757 N2 G A 6 4.575 1.550 3.304 1.00 0.70 N ATOM 758 N3 G A 6 2.435 1.154 4.087 1.00 0.53 N ATOM 759 C4 G A 6 1.571 0.159 4.378 1.00 0.49 C ATOM 0 H5' G A 6 -2.662 0.031 7.526 1.00 0.47 H new ATOM 0 H5'' G A 6 -3.204 1.506 8.303 1.00 0.47 H new ATOM 0 H4' G A 6 -2.647 2.832 6.566 1.00 0.47 H new ATOM 0 H3' G A 6 -3.073 0.468 4.713 1.00 0.39 H new ATOM 0 H2' G A 6 -1.423 1.362 3.182 1.00 0.48 H new ATOM 0 HO2' G A 6 -1.798 3.381 2.877 1.00 0.59 H new ATOM 0 H1' G A 6 0.337 2.366 5.102 1.00 0.49 H new ATOM 0 H8 G A 6 -1.236 -1.154 5.321 1.00 0.60 H new ATOM 0 H1 G A 6 4.811 -0.890 3.145 1.00 0.55 H new ATOM 0 H21 G A 6 4.424 2.555 3.389 1.00 0.70 H new ATOM 0 H22 G A 6 5.468 1.195 2.962 1.00 0.70 H new ATOM 771 P A A 7 -4.660 1.956 3.127 1.00 0.43 P ATOM 772 OP1 A A 7 -5.360 3.190 2.688 1.00 0.74 O ATOM 773 OP2 A A 7 -5.436 0.708 3.340 1.00 0.66 O ATOM 774 O5' A A 7 -3.495 1.649 2.085 1.00 0.33 O ATOM 775 C5' A A 7 -3.792 1.355 0.709 1.00 0.29 C ATOM 776 C4' A A 7 -2.770 2.000 -0.192 1.00 0.23 C ATOM 777 O4' A A 7 -2.906 3.435 -0.111 1.00 0.23 O ATOM 778 C3' A A 7 -1.325 1.770 0.210 1.00 0.25 C ATOM 779 O3' A A 7 -0.871 0.526 -0.301 1.00 0.27 O ATOM 780 C2' A A 7 -0.603 2.936 -0.455 1.00 0.24 C ATOM 781 O2' A A 7 -0.225 2.668 -1.790 1.00 0.25 O ATOM 782 C1' A A 7 -1.664 4.034 -0.425 1.00 0.21 C ATOM 783 N9 A A 7 -1.375 5.064 0.573 1.00 0.24 N ATOM 784 C8 A A 7 -2.015 5.303 1.762 1.00 0.29 C ATOM 785 N7 A A 7 -1.508 6.305 2.442 1.00 0.33 N ATOM 786 C5 A A 7 -0.466 6.754 1.643 1.00 0.30 C ATOM 787 C6 A A 7 0.470 7.792 1.800 1.00 0.34 C ATOM 788 N6 A A 7 0.505 8.604 2.859 1.00 0.39 N ATOM 789 N1 A A 7 1.382 7.969 0.818 1.00 0.35 N ATOM 790 C2 A A 7 1.345 7.153 -0.244 1.00 0.32 C ATOM 791 N3 A A 7 0.518 6.147 -0.504 1.00 0.27 N ATOM 792 C4 A A 7 -0.373 5.998 0.490 1.00 0.25 C ATOM 0 H5' A A 7 -4.789 1.718 0.459 1.00 0.29 H new ATOM 0 H5'' A A 7 -3.797 0.276 0.553 1.00 0.29 H new ATOM 0 H4' A A 7 -2.962 1.559 -1.170 1.00 0.23 H new ATOM 0 H3' A A 7 -1.164 1.729 1.287 1.00 0.25 H new ATOM 0 H2' A A 7 0.331 3.180 0.052 1.00 0.24 H new ATOM 0 HO2' A A 7 0.232 3.450 -2.164 1.00 0.25 H new ATOM 0 H1' A A 7 -1.680 4.518 -1.401 1.00 0.21 H new ATOM 0 H8 A A 7 -2.857 4.721 2.107 1.00 0.29 H new ATOM 0 H61 A A 7 1.210 9.339 2.915 1.00 0.39 H new ATOM 0 H62 A A 7 -0.173 8.489 3.612 1.00 0.39 H new ATOM 0 H2 A A 7 2.096 7.340 -0.997 1.00 0.32 H new ATOM 804 P A A 8 -0.007 -0.449 0.633 1.00 0.37 P ATOM 805 OP1 A A 8 -0.328 -1.838 0.225 1.00 0.47 O ATOM 806 OP2 A A 8 -0.194 -0.038 2.047 1.00 0.44 O ATOM 807 O5' A A 8 1.496 -0.133 0.213 1.00 0.38 O ATOM 808 C5' A A 8 1.800 0.344 -1.108 1.00 0.39 C ATOM 809 C4' A A 8 2.802 1.470 -1.041 1.00 0.43 C ATOM 810 O4' A A 8 2.165 2.629 -0.452 1.00 0.37 O ATOM 811 C3' A A 8 3.977 1.204 -0.118 1.00 0.53 C ATOM 812 O3' A A 8 5.009 0.463 -0.777 1.00 0.66 O ATOM 813 C2' A A 8 4.444 2.611 0.238 1.00 0.50 C ATOM 814 O2' A A 8 5.299 3.171 -0.738 1.00 0.58 O ATOM 815 C1' A A 8 3.124 3.384 0.269 1.00 0.38 C ATOM 816 N9 A A 8 2.624 3.569 1.628 1.00 0.36 N ATOM 817 C8 A A 8 1.581 2.911 2.227 1.00 0.42 C ATOM 818 N7 A A 8 1.355 3.293 3.461 1.00 0.47 N ATOM 819 C5 A A 8 2.320 4.263 3.691 1.00 0.41 C ATOM 820 C6 A A 8 2.629 5.041 4.821 1.00 0.44 C ATOM 821 N6 A A 8 1.957 4.976 5.972 1.00 0.54 N ATOM 822 N1 A A 8 3.668 5.900 4.726 1.00 0.40 N ATOM 823 C2 A A 8 4.344 5.964 3.573 1.00 0.36 C ATOM 824 N3 A A 8 4.149 5.286 2.444 1.00 0.35 N ATOM 825 C4 A A 8 3.109 4.443 2.570 1.00 0.35 C ATOM 0 H5' A A 8 0.888 0.688 -1.596 1.00 0.39 H new ATOM 0 H5'' A A 8 2.198 -0.470 -1.713 1.00 0.39 H new ATOM 0 H4' A A 8 3.150 1.598 -2.066 1.00 0.43 H new ATOM 0 H3' A A 8 3.714 0.600 0.751 1.00 0.53 H new ATOM 0 H2' A A 8 5.021 2.633 1.163 1.00 0.50 H new ATOM 0 HO2' A A 8 4.919 3.023 -1.629 1.00 0.58 H new ATOM 0 H1' A A 8 3.293 4.369 -0.166 1.00 0.38 H new ATOM 0 H8 A A 8 1.000 2.149 1.729 1.00 0.42 H new ATOM 0 H61 A A 8 2.231 5.568 6.757 1.00 0.54 H new ATOM 0 H62 A A 8 1.170 4.335 6.067 1.00 0.54 H new ATOM 0 H2 A A 8 5.165 6.666 3.556 1.00 0.36 H new ATOM 837 P A A 9 5.065 0.414 -2.385 1.00 1.47 P ATOM 838 OP1 A A 9 5.090 1.807 -2.893 1.00 2.35 O ATOM 839 OP2 A A 9 4.000 -0.514 -2.842 1.00 2.33 O ATOM 840 O5' A A 9 6.473 -0.258 -2.704 1.00 1.08 O ATOM 841 C5' A A 9 7.607 -0.022 -1.855 1.00 1.04 C ATOM 842 C4' A A 9 8.298 1.256 -2.254 1.00 1.09 C ATOM 843 O4' A A 9 7.745 1.717 -3.511 1.00 1.26 O ATOM 844 C3' A A 9 8.044 2.417 -1.314 1.00 0.99 C ATOM 845 O3' A A 9 8.929 2.371 -0.203 1.00 1.17 O ATOM 846 C2' A A 9 8.311 3.623 -2.202 1.00 1.26 C ATOM 847 O2' A A 9 9.687 3.941 -2.292 1.00 1.57 O ATOM 848 C1' A A 9 7.798 3.132 -3.560 1.00 1.29 C ATOM 849 N9 A A 9 6.448 3.615 -3.852 1.00 0.00 N ATOM 850 C8 A A 9 5.663 4.427 -3.073 1.00 0.00 C ATOM 851 N7 A A 9 4.492 4.690 -3.598 1.00 0.00 N ATOM 852 C5 A A 9 4.504 4.004 -4.803 1.00 0.00 C ATOM 853 C6 A A 9 3.544 3.856 -5.817 1.00 0.00 C ATOM 854 N6 A A 9 2.343 4.439 -5.791 1.00 0.00 N ATOM 855 N1 A A 9 3.862 3.078 -6.873 1.00 0.00 N ATOM 856 C2 A A 9 5.065 2.491 -6.898 1.00 0.00 C ATOM 857 N3 A A 9 6.051 2.554 -6.008 1.00 0.00 N ATOM 858 C4 A A 9 5.704 3.335 -4.972 1.00 0.00 C ATOM 0 H5' A A 9 8.303 -0.858 -1.925 1.00 1.04 H new ATOM 0 H5'' A A 9 7.286 0.039 -0.815 1.00 1.04 H new ATOM 0 H4' A A 9 9.359 1.007 -2.272 1.00 1.09 H new ATOM 0 H3' A A 9 7.045 2.423 -0.877 1.00 0.99 H new ATOM 0 H2' A A 9 7.839 4.531 -1.828 1.00 1.26 H new ATOM 0 HO2' A A 9 10.178 3.472 -1.585 1.00 1.57 H new ATOM 0 H1' A A 9 8.469 3.506 -4.334 1.00 1.29 H new ATOM 0 H8 A A 9 5.981 4.813 -2.116 1.00 0.00 H new ATOM 0 H61 A A 9 1.688 4.293 -6.559 1.00 0.00 H new ATOM 0 H62 A A 9 2.080 5.031 -5.003 1.00 0.00 H new ATOM 0 H2 A A 9 5.263 1.879 -7.765 1.00 0.00 H new ATOM 870 P A A 10 8.609 1.385 1.024 1.00 1.33 P ATOM 871 OP1 A A 10 9.030 0.013 0.640 1.00 2.11 O ATOM 872 OP2 A A 10 7.199 1.629 1.461 1.00 2.10 O ATOM 873 O5' A A 10 9.576 1.895 2.180 1.00 0.79 O ATOM 874 C5' A A 10 9.143 1.882 3.545 1.00 0.59 C ATOM 875 C4' A A 10 9.318 3.245 4.167 1.00 0.54 C ATOM 876 O4' A A 10 8.083 3.980 4.016 1.00 0.50 O ATOM 877 C3' A A 10 9.566 3.198 5.662 1.00 0.50 C ATOM 878 O3' A A 10 10.966 3.087 5.918 1.00 0.61 O ATOM 879 C2' A A 10 8.981 4.513 6.162 1.00 0.50 C ATOM 880 O2' A A 10 9.905 5.582 6.098 1.00 0.61 O ATOM 881 C1' A A 10 7.833 4.752 5.175 1.00 0.48 C ATOM 882 N9 A A 10 6.541 4.306 5.686 1.00 0.45 N ATOM 883 C8 A A 10 5.708 3.393 5.095 1.00 0.45 C ATOM 884 N7 A A 10 4.605 3.170 5.767 1.00 0.51 N ATOM 885 C5 A A 10 4.724 3.993 6.880 1.00 0.54 C ATOM 886 C6 A A 10 3.889 4.212 7.989 1.00 0.64 C ATOM 887 N6 A A 10 2.713 3.604 8.164 1.00 0.72 N ATOM 888 N1 A A 10 4.309 5.089 8.927 1.00 0.69 N ATOM 889 C2 A A 10 5.489 5.697 8.752 1.00 0.66 C ATOM 890 N3 A A 10 6.360 5.575 7.755 1.00 0.58 N ATOM 891 C4 A A 10 5.913 4.699 6.841 1.00 0.51 C ATOM 0 H5' A A 10 9.714 1.143 4.107 1.00 0.59 H new ATOM 0 H5'' A A 10 8.096 1.583 3.598 1.00 0.59 H new ATOM 0 H4' A A 10 10.175 3.697 3.669 1.00 0.54 H new ATOM 0 H3' A A 10 9.112 2.343 6.163 1.00 0.50 H new ATOM 0 H2' A A 10 8.684 4.463 7.210 1.00 0.50 H new ATOM 0 HO2' A A 10 9.481 6.401 6.428 1.00 0.61 H new ATOM 0 H1' A A 10 7.790 5.825 4.989 1.00 0.48 H new ATOM 0 H8 A A 10 5.939 2.902 4.161 1.00 0.45 H new ATOM 0 H61 A A 10 2.153 3.806 8.992 1.00 0.72 H new ATOM 0 H62 A A 10 2.375 2.937 7.470 1.00 0.72 H new ATOM 0 H2 A A 10 5.774 6.386 9.533 1.00 0.66 H new ATOM 903 P A A 11 11.506 3.062 7.432 1.00 0.62 P ATOM 904 OP1 A A 11 12.372 4.251 7.636 1.00 0.77 O ATOM 905 OP2 A A 11 12.051 1.705 7.687 1.00 0.65 O ATOM 906 O5' A A 11 10.194 3.242 8.317 1.00 0.58 O ATOM 907 C5' A A 11 10.234 3.974 9.555 1.00 0.56 C ATOM 908 C4' A A 11 8.898 3.886 10.252 1.00 0.49 C ATOM 909 O4' A A 11 7.883 3.675 9.241 1.00 0.46 O ATOM 910 C3' A A 11 8.754 2.706 11.199 1.00 0.47 C ATOM 911 O3' A A 11 9.219 3.071 12.503 1.00 0.51 O ATOM 912 C2' A A 11 7.254 2.430 11.173 1.00 0.43 C ATOM 913 O2' A A 11 6.533 3.226 12.094 1.00 0.47 O ATOM 914 C1' A A 11 6.866 2.832 9.749 1.00 0.42 C ATOM 915 N9 A A 11 6.754 1.697 8.835 1.00 0.41 N ATOM 916 C8 A A 11 7.696 1.242 7.946 1.00 0.46 C ATOM 917 N7 A A 11 7.300 0.212 7.236 1.00 0.47 N ATOM 918 C5 A A 11 6.011 -0.030 7.691 1.00 0.42 C ATOM 919 C6 A A 11 5.044 -0.993 7.343 1.00 0.43 C ATOM 920 N6 A A 11 5.218 -1.936 6.408 1.00 0.49 N ATOM 921 N1 A A 11 3.865 -0.956 7.999 1.00 0.40 N ATOM 922 C2 A A 11 3.676 -0.020 8.936 1.00 0.37 C ATOM 923 N3 A A 11 4.501 0.935 9.348 1.00 0.37 N ATOM 924 C4 A A 11 5.664 0.875 8.679 1.00 0.39 C ATOM 0 H5' A A 11 10.484 5.017 9.362 1.00 0.56 H new ATOM 0 H5'' A A 11 11.016 3.572 10.199 1.00 0.56 H new ATOM 0 H4' A A 11 8.803 4.808 10.825 1.00 0.49 H new ATOM 0 H3' A A 11 9.336 1.828 10.920 1.00 0.47 H new ATOM 0 H2' A A 11 7.028 1.398 11.443 1.00 0.43 H new ATOM 0 HO2' A A 11 6.536 2.793 12.973 1.00 0.47 H new ATOM 0 H1' A A 11 5.891 3.315 9.807 1.00 0.42 H new ATOM 0 H8 A A 11 8.673 1.690 7.841 1.00 0.46 H new ATOM 0 H61 A A 11 4.471 -2.601 6.209 1.00 0.49 H new ATOM 0 H62 A A 11 6.098 -1.989 5.894 1.00 0.49 H new ATOM 0 H2 A A 11 2.715 -0.045 9.428 1.00 0.37 H new ATOM 936 P G A 12 8.688 2.288 13.808 1.00 0.56 P ATOM 937 OP1 G A 12 7.249 1.997 13.612 1.00 0.68 O ATOM 938 OP2 G A 12 9.112 3.067 14.998 1.00 0.65 O ATOM 939 O5' G A 12 9.514 0.921 13.827 1.00 0.50 O ATOM 940 C5' G A 12 9.030 -0.280 13.176 1.00 0.47 C ATOM 941 C4' G A 12 7.530 -0.389 13.299 1.00 0.42 C ATOM 942 O4' G A 12 6.972 -0.144 11.987 1.00 0.40 O ATOM 943 C3' G A 12 7.002 -1.761 13.677 1.00 0.39 C ATOM 944 O3' G A 12 6.944 -1.909 15.094 1.00 0.43 O ATOM 945 C2' G A 12 5.604 -1.766 13.066 1.00 0.35 C ATOM 946 O2' G A 12 4.637 -1.173 13.911 1.00 0.37 O ATOM 947 C1' G A 12 5.799 -0.910 11.812 1.00 0.35 C ATOM 948 N9 G A 12 5.984 -1.729 10.620 1.00 0.33 N ATOM 949 C8 G A 12 7.058 -1.704 9.764 1.00 0.36 C ATOM 950 N7 G A 12 6.946 -2.554 8.780 1.00 0.36 N ATOM 951 C5 G A 12 5.726 -3.178 9.002 1.00 0.33 C ATOM 952 C6 G A 12 5.065 -4.187 8.260 1.00 0.36 C ATOM 953 O6 G A 12 5.442 -4.754 7.229 1.00 0.40 O ATOM 954 N1 G A 12 3.842 -4.528 8.832 1.00 0.36 N ATOM 955 C2 G A 12 3.328 -3.969 9.976 1.00 0.34 C ATOM 956 N2 G A 12 2.135 -4.437 10.375 1.00 0.37 N ATOM 957 N3 G A 12 3.934 -3.026 10.677 1.00 0.31 N ATOM 958 C4 G A 12 5.120 -2.680 10.135 1.00 0.31 C ATOM 0 H5' G A 12 9.501 -1.156 13.623 1.00 0.47 H new ATOM 0 H5'' G A 12 9.313 -0.268 12.123 1.00 0.47 H new ATOM 0 H4' G A 12 7.253 0.314 14.084 1.00 0.42 H new ATOM 0 H3' G A 12 7.628 -2.580 13.323 1.00 0.39 H new ATOM 0 H2' G A 12 5.234 -2.775 12.882 1.00 0.35 H new ATOM 0 HO2' G A 12 4.985 -1.129 14.826 1.00 0.37 H new ATOM 0 H1' G A 12 4.911 -0.292 11.678 1.00 0.35 H new ATOM 0 H8 G A 12 7.907 -1.049 9.892 1.00 0.36 H new ATOM 0 H1 G A 12 3.287 -5.246 8.367 1.00 0.36 H new ATOM 0 H21 G A 12 1.697 -4.064 11.217 1.00 0.37 H new ATOM 0 H22 G A 12 1.667 -5.165 9.836 1.00 0.37 H new ATOM 970 P G A 13 7.654 -3.170 15.793 1.00 0.51 P ATOM 971 OP1 G A 13 8.022 -2.788 17.179 1.00 0.57 O ATOM 972 OP2 G A 13 8.704 -3.659 14.863 1.00 0.59 O ATOM 973 O5' G A 13 6.505 -4.271 15.866 1.00 0.57 O ATOM 974 C5' G A 13 5.231 -3.972 16.468 1.00 0.62 C ATOM 975 C4' G A 13 4.177 -4.916 15.952 1.00 0.60 C ATOM 976 O4' G A 13 3.950 -4.622 14.553 1.00 0.59 O ATOM 977 C3' G A 13 4.582 -6.375 15.955 1.00 0.59 C ATOM 978 O3' G A 13 4.301 -6.965 17.223 1.00 0.66 O ATOM 979 C2' G A 13 3.694 -6.967 14.868 1.00 0.57 C ATOM 980 O2' G A 13 2.424 -7.369 15.347 1.00 0.63 O ATOM 981 C1' G A 13 3.538 -5.800 13.890 1.00 0.54 C ATOM 982 N9 G A 13 4.351 -5.958 12.689 1.00 0.50 N ATOM 983 C8 G A 13 5.509 -5.292 12.369 1.00 0.54 C ATOM 984 N7 G A 13 6.003 -5.652 11.215 1.00 0.56 N ATOM 985 C5 G A 13 5.117 -6.614 10.748 1.00 0.50 C ATOM 986 C6 G A 13 5.126 -7.367 9.546 1.00 0.53 C ATOM 987 O6 G A 13 5.947 -7.335 8.623 1.00 0.60 O ATOM 988 N1 G A 13 4.036 -8.231 9.472 1.00 0.51 N ATOM 989 C2 G A 13 3.065 -8.353 10.437 1.00 0.48 C ATOM 990 N2 G A 13 2.093 -9.241 10.192 1.00 0.52 N ATOM 991 N3 G A 13 3.046 -7.656 11.560 1.00 0.47 N ATOM 992 C4 G A 13 4.093 -6.813 11.648 1.00 0.47 C ATOM 0 H5' G A 13 4.948 -2.943 16.246 1.00 0.62 H new ATOM 0 H5'' G A 13 5.305 -4.055 17.552 1.00 0.62 H new ATOM 0 H4' G A 13 3.320 -4.775 16.610 1.00 0.60 H new ATOM 0 H3' G A 13 5.645 -6.539 15.779 1.00 0.59 H new ATOM 0 H2' G A 13 4.127 -7.870 14.438 1.00 0.57 H new ATOM 0 HO2' G A 13 2.459 -8.311 15.616 1.00 0.63 H new ATOM 0 H1' G A 13 2.495 -5.759 13.577 1.00 0.54 H new ATOM 0 H8 G A 13 5.964 -4.548 13.006 1.00 0.54 H new ATOM 0 H1 G A 13 3.952 -8.816 8.641 1.00 0.51 H new ATOM 0 H21 G A 13 1.344 -9.377 10.870 1.00 0.52 H new ATOM 0 H22 G A 13 2.102 -9.781 9.327 1.00 0.52 H new ATOM 1004 P G A 14 4.463 -8.552 17.419 1.00 0.74 P ATOM 1005 OP1 G A 14 4.299 -8.840 18.867 1.00 0.80 O ATOM 1006 OP2 G A 14 5.701 -8.983 16.722 1.00 0.90 O ATOM 1007 O5' G A 14 3.214 -9.170 16.648 1.00 0.68 O ATOM 1008 C5' G A 14 2.198 -9.912 17.353 1.00 0.70 C ATOM 1009 C4' G A 14 1.642 -11.001 16.464 1.00 0.68 C ATOM 1010 O4' G A 14 1.527 -10.478 15.117 1.00 0.67 O ATOM 1011 C3' G A 14 2.541 -12.210 16.308 1.00 0.67 C ATOM 1012 O3' G A 14 2.328 -13.135 17.369 1.00 0.77 O ATOM 1013 C2' G A 14 2.091 -12.786 14.970 1.00 0.67 C ATOM 1014 O2' G A 14 0.953 -13.618 15.086 1.00 0.80 O ATOM 1015 C1' G A 14 1.730 -11.525 14.184 1.00 0.61 C ATOM 1016 N9 G A 14 2.807 -11.123 13.289 1.00 0.50 N ATOM 1017 C8 G A 14 3.676 -10.072 13.459 1.00 0.50 C ATOM 1018 N7 G A 14 4.557 -9.979 12.499 1.00 0.47 N ATOM 1019 C5 G A 14 4.246 -11.028 11.644 1.00 0.41 C ATOM 1020 C6 G A 14 4.858 -11.439 10.432 1.00 0.40 C ATOM 1021 O6 G A 14 5.830 -10.935 9.851 1.00 0.45 O ATOM 1022 N1 G A 14 4.226 -12.557 9.889 1.00 0.41 N ATOM 1023 C2 G A 14 3.145 -13.193 10.450 1.00 0.46 C ATOM 1024 N2 G A 14 2.671 -14.253 9.780 1.00 0.55 N ATOM 1025 N3 G A 14 2.569 -12.821 11.578 1.00 0.49 N ATOM 1026 C4 G A 14 3.166 -11.740 12.117 1.00 0.44 C ATOM 0 H5' G A 14 1.397 -9.242 17.665 1.00 0.70 H new ATOM 0 H5'' G A 14 2.618 -10.350 18.259 1.00 0.70 H new ATOM 0 H4' G A 14 0.706 -11.301 16.935 1.00 0.68 H new ATOM 0 H3' G A 14 3.605 -11.975 16.338 1.00 0.67 H new ATOM 0 H2' G A 14 2.855 -13.415 14.513 1.00 0.67 H new ATOM 0 HO2' G A 14 0.706 -13.959 14.201 1.00 0.80 H new ATOM 0 H1' G A 14 0.841 -11.728 13.587 1.00 0.61 H new ATOM 0 H8 G A 14 3.635 -9.394 14.299 1.00 0.50 H new ATOM 0 H1 G A 14 4.592 -12.929 9.013 1.00 0.41 H new ATOM 0 H21 G A 14 1.870 -14.769 10.143 1.00 0.55 H new ATOM 0 H22 G A 14 3.112 -14.543 8.907 1.00 0.55 H new ATOM 1038 P C A 15 3.531 -14.090 17.840 1.00 0.87 P ATOM 1039 OP1 C A 15 3.120 -14.777 19.090 1.00 1.02 O ATOM 1040 OP2 C A 15 4.776 -13.282 17.822 1.00 0.91 O ATOM 1041 O5' C A 15 3.624 -15.174 16.679 1.00 0.85 O ATOM 1042 C5' C A 15 2.479 -15.969 16.326 1.00 0.94 C ATOM 1043 C4' C A 15 2.839 -16.942 15.231 1.00 0.97 C ATOM 1044 O4' C A 15 2.829 -16.258 13.956 1.00 0.84 O ATOM 1045 C3' C A 15 4.257 -17.468 15.329 1.00 1.09 C ATOM 1046 O3' C A 15 4.326 -18.585 16.225 1.00 1.31 O ATOM 1047 C2' C A 15 4.553 -17.900 13.897 1.00 1.09 C ATOM 1048 O2' C A 15 4.139 -19.225 13.624 1.00 1.30 O ATOM 1049 C1' C A 15 3.727 -16.908 13.076 1.00 0.89 C ATOM 1050 N1 C A 15 4.565 -15.891 12.429 1.00 0.75 N ATOM 1051 C2 C A 15 5.335 -16.262 11.322 1.00 0.77 C ATOM 1052 O2 C A 15 5.284 -17.432 10.916 1.00 0.89 O ATOM 1053 N3 C A 15 6.115 -15.342 10.725 1.00 0.70 N ATOM 1054 C4 C A 15 6.147 -14.096 11.187 1.00 0.66 C ATOM 1055 N4 C A 15 6.932 -13.231 10.562 1.00 0.71 N ATOM 1056 C5 C A 15 5.374 -13.686 12.311 1.00 0.64 C ATOM 1057 C6 C A 15 4.603 -14.608 12.898 1.00 0.66 C ATOM 0 H5' C A 15 1.666 -15.323 15.995 1.00 0.94 H new ATOM 0 H5'' C A 15 2.120 -16.511 17.201 1.00 0.94 H new ATOM 0 H4' C A 15 2.115 -17.751 15.326 1.00 0.97 H new ATOM 0 H3' C A 15 4.966 -16.736 15.716 1.00 1.09 H new ATOM 0 H2' C A 15 5.621 -17.895 13.679 1.00 1.09 H new ATOM 0 HO2' C A 15 3.925 -19.681 14.465 1.00 1.30 H new ATOM 0 HO3' C A 15 5.249 -18.910 16.272 1.00 1.31 H new ATOM 0 H1' C A 15 3.207 -17.458 12.292 1.00 0.89 H new ATOM 0 H41 C A 15 6.985 -12.265 10.885 1.00 0.71 H new ATOM 0 H42 C A 15 7.483 -13.531 9.758 1.00 0.71 H new ATOM 0 H5 C A 15 5.409 -12.670 12.675 1.00 0.64 H new ATOM 0 H6 C A 15 4.003 -14.335 13.753 1.00 0.66 H new TER 1069 C A 15