USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=19 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 -6:sc= -0.889 USER MOD Single : A 2 C O2' : rot -138:sc= 0.589 USER MOD Single : A 3 C O2' : rot 52:sc= -5.64! USER MOD Single : A 4 C O2' : rot 180:sc= -1.45 USER MOD Single : A 5 U O2' : rot 77:sc= -1.87 USER MOD Single : A 6 G O2' : rot -176:sc= 0.21 USER MOD Single : A 7 A O2' : rot 180:sc= -4.24! USER MOD Single : A 8 A O2' : rot 44:sc= -1.92! USER MOD Single : A 9 A O2' : rot -18:sc= 0.128 USER MOD Single : A 10 A O2' : rot -23:sc= 0.144 USER MOD Single : A 11 A O2' : rot -88:sc= -0.998! USER MOD Single : A 12 G O2' : rot 47:sc= -4! USER MOD Single : A 13 G O2' : rot 180:sc= -0.938 USER MOD Single : A 14 G O2' : rot 48:sc= -6.11! USER MOD Single : A 15 C O2' : rot -15:sc= 0.172 USER MOD Single : A 15 C O3' : rot 180:sc= 0.18 USER MOD Single : B 4 GLN : amide:sc= -3.38 K(o=-3.4,f=-4.5!) USER MOD Single : B 5 THR OG1 : rot 180:sc= 0.00423 USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 GLN : amide:sc= -3.38! C(o=-3.4!,f=-2.3!) USER MOD Single : B 17 GLN : amide:sc= -3.3 K(o=-3.3,f=-4.3!) USER MOD Single : B 19 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0109) USER MOD Single : B 22 ASN : amide:sc= -7.24! C(o=-7.2!,f=-6!) USER MOD Single : B 29 SER OG : rot -85:sc= 0.878 USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 ASN : amide:sc= -0.53 K(o=-0.53,f=-5.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP B 2 10.150 -13.076 -1.211 1.00 0.76 N ATOM 2 CA ASP B 2 9.518 -12.591 0.053 1.00 0.88 C ATOM 3 C ASP B 2 8.011 -12.833 0.016 1.00 0.68 C ATOM 4 O ASP B 2 7.516 -13.641 -0.746 1.00 0.66 O ATOM 5 CB ASP B 2 9.812 -11.089 0.111 1.00 1.25 C ATOM 6 CG ASP B 2 11.307 -10.842 -0.115 1.00 1.88 C ATOM 7 OD1 ASP B 2 11.717 -10.826 -1.265 1.00 2.37 O ATOM 8 OD2 ASP B 2 12.014 -10.672 0.864 1.00 2.35 O ATOM 0 HA ASP B 2 9.908 -13.113 0.926 1.00 0.88 H new ATOM 0 HB2 ASP B 2 9.229 -10.566 -0.647 1.00 1.25 H new ATOM 0 HB3 ASP B 2 9.510 -10.687 1.078 1.00 1.25 H new ATOM 15 N ALA B 3 7.283 -12.135 0.838 1.00 0.63 N ATOM 16 CA ALA B 3 5.800 -12.310 0.868 1.00 0.58 C ATOM 17 C ALA B 3 5.106 -10.953 0.919 1.00 0.63 C ATOM 18 O ALA B 3 4.098 -10.740 0.274 1.00 0.61 O ATOM 19 CB ALA B 3 5.517 -13.112 2.138 1.00 0.75 C ATOM 0 H ALA B 3 7.650 -11.446 1.495 1.00 0.63 H new ATOM 0 HA ALA B 3 5.428 -12.818 -0.022 1.00 0.58 H new ATOM 0 HB1 ALA B 3 4.444 -13.281 2.230 1.00 0.75 H new ATOM 0 HB2 ALA B 3 6.032 -14.071 2.085 1.00 0.75 H new ATOM 0 HB3 ALA B 3 5.872 -12.556 3.006 1.00 0.75 H new ATOM 25 N GLN B 4 5.635 -10.033 1.672 1.00 0.75 N ATOM 26 CA GLN B 4 4.999 -8.689 1.748 1.00 0.89 C ATOM 27 C GLN B 4 5.153 -7.991 0.415 1.00 0.79 C ATOM 28 O GLN B 4 4.185 -7.599 -0.206 1.00 0.81 O ATOM 29 CB GLN B 4 5.764 -7.937 2.834 1.00 1.09 C ATOM 30 CG GLN B 4 5.184 -6.530 2.992 1.00 1.29 C ATOM 31 CD GLN B 4 5.943 -5.786 4.090 1.00 0.85 C ATOM 32 OE1 GLN B 4 6.509 -6.398 4.974 1.00 1.14 O ATOM 33 NE2 GLN B 4 5.985 -4.482 4.068 1.00 0.94 N ATOM 0 H GLN B 4 6.476 -10.151 2.236 1.00 0.75 H new ATOM 0 HA GLN B 4 3.934 -8.742 1.976 1.00 0.89 H new ATOM 0 HB2 GLN B 4 5.698 -8.476 3.779 1.00 1.09 H new ATOM 0 HB3 GLN B 4 6.821 -7.878 2.574 1.00 1.09 H new ATOM 0 HG2 GLN B 4 5.260 -5.986 2.050 1.00 1.29 H new ATOM 0 HG3 GLN B 4 4.125 -6.588 3.243 1.00 1.29 H new ATOM 0 HE21 GLN B 4 5.510 -3.969 3.326 1.00 0.94 H new ATOM 0 HE22 GLN B 4 6.493 -3.976 4.793 1.00 0.94 H new ATOM 42 N THR B 5 6.365 -7.856 -0.043 1.00 0.76 N ATOM 43 CA THR B 5 6.582 -7.208 -1.365 1.00 0.79 C ATOM 44 C THR B 5 5.626 -7.851 -2.365 1.00 0.59 C ATOM 45 O THR B 5 5.077 -7.207 -3.236 1.00 0.57 O ATOM 46 CB THR B 5 8.032 -7.497 -1.735 1.00 0.94 C ATOM 47 OG1 THR B 5 8.891 -7.003 -0.716 1.00 1.26 O ATOM 48 CG2 THR B 5 8.346 -6.804 -3.055 1.00 0.94 C ATOM 0 H THR B 5 7.210 -8.164 0.437 1.00 0.76 H new ATOM 0 HA THR B 5 6.398 -6.134 -1.355 1.00 0.79 H new ATOM 0 HB THR B 5 8.185 -8.572 -1.836 1.00 0.94 H new ATOM 0 HG1 THR B 5 9.823 -7.191 -0.954 1.00 1.26 H new ATOM 0 HG21 THR B 5 9.381 -7.002 -3.333 1.00 0.94 H new ATOM 0 HG22 THR B 5 7.683 -7.184 -3.832 1.00 0.94 H new ATOM 0 HG23 THR B 5 8.199 -5.730 -2.946 1.00 0.94 H new ATOM 56 N ARG B 6 5.391 -9.125 -2.194 1.00 0.48 N ATOM 57 CA ARG B 6 4.430 -9.837 -3.075 1.00 0.46 C ATOM 58 C ARG B 6 3.031 -9.391 -2.708 1.00 0.43 C ATOM 59 O ARG B 6 2.210 -9.090 -3.552 1.00 0.45 O ATOM 60 CB ARG B 6 4.571 -11.316 -2.728 1.00 0.56 C ATOM 61 CG ARG B 6 5.118 -12.085 -3.933 1.00 0.78 C ATOM 62 CD ARG B 6 6.134 -13.127 -3.457 1.00 1.03 C ATOM 63 NE ARG B 6 5.316 -14.308 -3.052 1.00 0.88 N ATOM 64 CZ ARG B 6 4.747 -15.070 -3.955 1.00 0.73 C ATOM 65 NH1 ARG B 6 4.881 -14.811 -5.231 1.00 1.26 N ATOM 66 NH2 ARG B 6 4.036 -16.097 -3.577 1.00 1.43 N ATOM 0 H ARG B 6 5.828 -9.703 -1.476 1.00 0.48 H new ATOM 0 HA ARG B 6 4.614 -9.643 -4.132 1.00 0.46 H new ATOM 0 HB2 ARG B 6 5.239 -11.436 -1.875 1.00 0.56 H new ATOM 0 HB3 ARG B 6 3.603 -11.723 -2.435 1.00 0.56 H new ATOM 0 HG2 ARG B 6 4.303 -12.574 -4.466 1.00 0.78 H new ATOM 0 HG3 ARG B 6 5.589 -11.396 -4.634 1.00 0.78 H new ATOM 0 HD2 ARG B 6 6.835 -13.386 -4.251 1.00 1.03 H new ATOM 0 HD3 ARG B 6 6.724 -12.750 -2.621 1.00 1.03 H new ATOM 0 HE ARG B 6 5.198 -14.525 -2.062 1.00 0.88 H new ATOM 0 HH11 ARG B 6 5.433 -14.008 -5.533 1.00 1.26 H new ATOM 0 HH12 ARG B 6 4.433 -15.412 -5.923 1.00 1.26 H new ATOM 0 HH21 ARG B 6 3.925 -16.303 -2.584 1.00 1.43 H new ATOM 0 HH22 ARG B 6 3.591 -16.694 -4.274 1.00 1.43 H new ATOM 80 N ARG B 7 2.758 -9.360 -1.433 1.00 0.61 N ATOM 81 CA ARG B 7 1.411 -8.948 -0.979 1.00 0.80 C ATOM 82 C ARG B 7 1.116 -7.542 -1.501 1.00 0.65 C ATOM 83 O ARG B 7 -0.009 -7.208 -1.819 1.00 0.56 O ATOM 84 CB ARG B 7 1.495 -8.980 0.549 1.00 1.16 C ATOM 85 CG ARG B 7 0.371 -8.140 1.176 1.00 1.10 C ATOM 86 CD ARG B 7 0.807 -7.671 2.567 1.00 0.92 C ATOM 87 NE ARG B 7 0.652 -6.181 2.550 1.00 0.41 N ATOM 88 CZ ARG B 7 1.525 -5.426 1.934 1.00 0.93 C ATOM 89 NH1 ARG B 7 2.549 -5.954 1.319 1.00 1.61 N ATOM 90 NH2 ARG B 7 1.367 -4.131 1.934 1.00 1.08 N ATOM 0 H ARG B 7 3.413 -9.603 -0.690 1.00 0.61 H new ATOM 0 HA ARG B 7 0.610 -9.592 -1.342 1.00 0.80 H new ATOM 0 HB2 ARG B 7 1.424 -10.010 0.900 1.00 1.16 H new ATOM 0 HB3 ARG B 7 2.464 -8.599 0.872 1.00 1.16 H new ATOM 0 HG2 ARG B 7 0.147 -7.281 0.543 1.00 1.10 H new ATOM 0 HG3 ARG B 7 -0.543 -8.730 1.248 1.00 1.10 H new ATOM 0 HD2 ARG B 7 0.190 -8.121 3.345 1.00 0.92 H new ATOM 0 HD3 ARG B 7 1.839 -7.957 2.773 1.00 0.92 H new ATOM 0 HE ARG B 7 -0.142 -5.751 3.024 1.00 0.41 H new ATOM 0 HH11 ARG B 7 2.675 -6.966 1.315 1.00 1.61 H new ATOM 0 HH12 ARG B 7 3.222 -5.354 0.842 1.00 1.61 H new ATOM 0 HH21 ARG B 7 0.568 -3.715 2.412 1.00 1.08 H new ATOM 0 HH22 ARG B 7 2.043 -3.535 1.456 1.00 1.08 H new ATOM 104 N ARG B 8 2.128 -6.723 -1.605 1.00 0.68 N ATOM 105 CA ARG B 8 1.925 -5.337 -2.125 1.00 0.67 C ATOM 106 C ARG B 8 1.245 -5.414 -3.475 1.00 0.48 C ATOM 107 O ARG B 8 0.332 -4.665 -3.765 1.00 0.50 O ATOM 108 CB ARG B 8 3.330 -4.751 -2.262 1.00 0.77 C ATOM 109 CG ARG B 8 3.269 -3.225 -2.184 1.00 0.73 C ATOM 110 CD ARG B 8 3.121 -2.786 -0.725 1.00 0.73 C ATOM 111 NE ARG B 8 4.275 -3.407 -0.008 1.00 0.85 N ATOM 112 CZ ARG B 8 5.489 -2.935 -0.155 1.00 1.05 C ATOM 113 NH1 ARG B 8 5.718 -1.909 -0.933 1.00 1.43 N ATOM 114 NH2 ARG B 8 6.480 -3.495 0.482 1.00 1.16 N ATOM 0 H ARG B 8 3.089 -6.953 -1.352 1.00 0.68 H new ATOM 0 HA ARG B 8 1.302 -4.725 -1.473 1.00 0.67 H new ATOM 0 HB2 ARG B 8 3.973 -5.138 -1.472 1.00 0.77 H new ATOM 0 HB3 ARG B 8 3.770 -5.058 -3.211 1.00 0.77 H new ATOM 0 HG2 ARG B 8 4.173 -2.793 -2.613 1.00 0.73 H new ATOM 0 HG3 ARG B 8 2.429 -2.855 -2.772 1.00 0.73 H new ATOM 0 HD2 ARG B 8 3.142 -1.700 -0.637 1.00 0.73 H new ATOM 0 HD3 ARG B 8 2.172 -3.122 -0.308 1.00 0.73 H new ATOM 0 HE ARG B 8 4.116 -4.208 0.603 1.00 0.85 H new ATOM 0 HH11 ARG B 8 4.947 -1.467 -1.434 1.00 1.43 H new ATOM 0 HH12 ARG B 8 6.667 -1.551 -1.039 1.00 1.43 H new ATOM 0 HH21 ARG B 8 6.308 -4.295 1.090 1.00 1.16 H new ATOM 0 HH22 ARG B 8 7.427 -3.132 0.372 1.00 1.16 H new ATOM 128 N GLU B 9 1.644 -6.345 -4.288 1.00 0.38 N ATOM 129 CA GLU B 9 0.964 -6.494 -5.599 1.00 0.34 C ATOM 130 C GLU B 9 -0.491 -6.829 -5.314 1.00 0.31 C ATOM 131 O GLU B 9 -1.395 -6.418 -6.015 1.00 0.34 O ATOM 132 CB GLU B 9 1.675 -7.643 -6.320 1.00 0.40 C ATOM 133 CG GLU B 9 3.178 -7.356 -6.391 1.00 0.59 C ATOM 134 CD GLU B 9 3.731 -7.850 -7.731 1.00 1.24 C ATOM 135 OE1 GLU B 9 3.312 -8.909 -8.167 1.00 1.73 O ATOM 136 OE2 GLU B 9 4.563 -7.160 -8.296 1.00 1.88 O ATOM 0 H GLU B 9 2.402 -7.002 -4.106 1.00 0.38 H new ATOM 0 HA GLU B 9 1.000 -5.597 -6.217 1.00 0.34 H new ATOM 0 HB2 GLU B 9 1.498 -8.581 -5.793 1.00 0.40 H new ATOM 0 HB3 GLU B 9 1.270 -7.761 -7.325 1.00 0.40 H new ATOM 0 HG2 GLU B 9 3.360 -6.287 -6.283 1.00 0.59 H new ATOM 0 HG3 GLU B 9 3.693 -7.852 -5.568 1.00 0.59 H new ATOM 143 N ARG B 10 -0.716 -7.528 -4.237 1.00 0.31 N ATOM 144 CA ARG B 10 -2.100 -7.847 -3.831 1.00 0.38 C ATOM 145 C ARG B 10 -2.716 -6.593 -3.219 1.00 0.35 C ATOM 146 O ARG B 10 -3.919 -6.482 -3.086 1.00 0.40 O ATOM 147 CB ARG B 10 -1.974 -8.958 -2.784 1.00 0.46 C ATOM 148 CG ARG B 10 -2.559 -10.256 -3.337 1.00 0.73 C ATOM 149 CD ARG B 10 -2.031 -11.441 -2.521 1.00 0.67 C ATOM 150 NE ARG B 10 -3.143 -12.435 -2.513 1.00 1.55 N ATOM 151 CZ ARG B 10 -3.145 -13.430 -1.657 1.00 2.12 C ATOM 152 NH1 ARG B 10 -2.173 -13.571 -0.791 1.00 2.20 N ATOM 153 NH2 ARG B 10 -4.127 -14.288 -1.668 1.00 3.14 N ATOM 0 H ARG B 10 0.010 -7.892 -3.620 1.00 0.31 H new ATOM 0 HA ARG B 10 -2.730 -8.167 -4.661 1.00 0.38 H new ATOM 0 HB2 ARG B 10 -0.927 -9.104 -2.519 1.00 0.46 H new ATOM 0 HB3 ARG B 10 -2.497 -8.672 -1.871 1.00 0.46 H new ATOM 0 HG2 ARG B 10 -3.648 -10.225 -3.292 1.00 0.73 H new ATOM 0 HG3 ARG B 10 -2.287 -10.373 -4.386 1.00 0.73 H new ATOM 0 HD2 ARG B 10 -1.131 -11.860 -2.972 1.00 0.67 H new ATOM 0 HD3 ARG B 10 -1.768 -11.136 -1.508 1.00 0.67 H new ATOM 0 HE ARG B 10 -3.909 -12.341 -3.179 1.00 1.55 H new ATOM 0 HH11 ARG B 10 -1.402 -12.903 -0.776 1.00 2.20 H new ATOM 0 HH12 ARG B 10 -2.187 -14.349 -0.131 1.00 2.20 H new ATOM 0 HH21 ARG B 10 -4.888 -14.184 -2.339 1.00 3.14 H new ATOM 0 HH22 ARG B 10 -4.134 -15.063 -1.005 1.00 3.14 H new ATOM 167 N ARG B 11 -1.895 -5.633 -2.862 1.00 0.29 N ATOM 168 CA ARG B 11 -2.444 -4.383 -2.284 1.00 0.29 C ATOM 169 C ARG B 11 -2.730 -3.382 -3.394 1.00 0.24 C ATOM 170 O ARG B 11 -3.200 -2.297 -3.134 1.00 0.25 O ATOM 171 CB ARG B 11 -1.374 -3.828 -1.349 1.00 0.32 C ATOM 172 CG ARG B 11 -1.166 -4.756 -0.144 1.00 0.41 C ATOM 173 CD ARG B 11 -2.504 -5.033 0.557 1.00 0.55 C ATOM 174 NE ARG B 11 -2.650 -6.520 0.529 1.00 1.59 N ATOM 175 CZ ARG B 11 -3.761 -7.092 0.926 1.00 2.18 C ATOM 176 NH1 ARG B 11 -4.767 -6.374 1.355 1.00 3.24 N ATOM 177 NH2 ARG B 11 -3.864 -8.392 0.894 1.00 1.76 N ATOM 0 H ARG B 11 -0.879 -5.668 -2.948 1.00 0.29 H new ATOM 0 HA ARG B 11 -3.376 -4.571 -1.750 1.00 0.29 H new ATOM 0 HB2 ARG B 11 -0.435 -3.713 -1.891 1.00 0.32 H new ATOM 0 HB3 ARG B 11 -1.666 -2.836 -1.003 1.00 0.32 H new ATOM 0 HG2 ARG B 11 -0.720 -5.694 -0.473 1.00 0.41 H new ATOM 0 HG3 ARG B 11 -0.468 -4.300 0.558 1.00 0.41 H new ATOM 0 HD2 ARG B 11 -2.500 -4.655 1.579 1.00 0.55 H new ATOM 0 HD3 ARG B 11 -3.330 -4.545 0.040 1.00 0.55 H new ATOM 0 HE ARG B 11 -1.877 -7.096 0.197 1.00 1.59 H new ATOM 0 HH11 ARG B 11 -4.692 -5.357 1.383 1.00 3.24 H new ATOM 0 HH12 ARG B 11 -5.626 -6.831 1.661 1.00 3.24 H new ATOM 0 HH21 ARG B 11 -3.083 -8.957 0.562 1.00 1.76 H new ATOM 0 HH22 ARG B 11 -4.726 -8.843 1.202 1.00 1.76 H new ATOM 191 N ALA B 12 -2.473 -3.729 -4.633 1.00 0.24 N ATOM 192 CA ALA B 12 -2.778 -2.764 -5.733 1.00 0.28 C ATOM 193 C ALA B 12 -4.238 -2.336 -5.596 1.00 0.31 C ATOM 194 O ALA B 12 -4.620 -1.247 -5.972 1.00 0.33 O ATOM 195 CB ALA B 12 -2.553 -3.540 -7.031 1.00 0.34 C ATOM 0 H ALA B 12 -2.073 -4.621 -4.925 1.00 0.24 H new ATOM 0 HA ALA B 12 -2.158 -1.868 -5.709 1.00 0.28 H new ATOM 0 HB1 ALA B 12 -2.759 -2.892 -7.883 1.00 0.34 H new ATOM 0 HB2 ALA B 12 -1.519 -3.881 -7.076 1.00 0.34 H new ATOM 0 HB3 ALA B 12 -3.221 -4.401 -7.061 1.00 0.34 H new ATOM 201 N GLU B 13 -5.047 -3.186 -5.011 1.00 0.34 N ATOM 202 CA GLU B 13 -6.470 -2.830 -4.794 1.00 0.41 C ATOM 203 C GLU B 13 -6.543 -1.853 -3.625 1.00 0.38 C ATOM 204 O GLU B 13 -7.365 -0.962 -3.603 1.00 0.42 O ATOM 205 CB GLU B 13 -7.178 -4.144 -4.463 1.00 0.48 C ATOM 206 CG GLU B 13 -7.066 -5.102 -5.654 1.00 0.52 C ATOM 207 CD GLU B 13 -8.452 -5.646 -6.008 1.00 0.77 C ATOM 208 OE1 GLU B 13 -8.994 -6.395 -5.212 1.00 1.15 O ATOM 209 OE2 GLU B 13 -8.948 -5.302 -7.068 1.00 1.18 O ATOM 0 H GLU B 13 -4.776 -4.111 -4.677 1.00 0.34 H new ATOM 0 HA GLU B 13 -6.934 -2.356 -5.659 1.00 0.41 H new ATOM 0 HB2 GLU B 13 -6.732 -4.596 -3.577 1.00 0.48 H new ATOM 0 HB3 GLU B 13 -8.226 -3.956 -4.232 1.00 0.48 H new ATOM 0 HG2 GLU B 13 -6.638 -4.583 -6.512 1.00 0.52 H new ATOM 0 HG3 GLU B 13 -6.393 -5.924 -5.410 1.00 0.52 H new ATOM 216 N LYS B 14 -5.654 -1.987 -2.671 1.00 0.33 N ATOM 217 CA LYS B 14 -5.639 -1.032 -1.532 1.00 0.33 C ATOM 218 C LYS B 14 -4.943 0.239 -2.013 1.00 0.28 C ATOM 219 O LYS B 14 -5.311 1.347 -1.676 1.00 0.30 O ATOM 220 CB LYS B 14 -4.816 -1.722 -0.438 1.00 0.31 C ATOM 221 CG LYS B 14 -5.519 -3.007 0.010 1.00 0.38 C ATOM 222 CD LYS B 14 -6.780 -2.656 0.802 1.00 1.23 C ATOM 223 CE LYS B 14 -7.821 -3.763 0.617 1.00 1.37 C ATOM 224 NZ LYS B 14 -8.978 -3.347 1.457 1.00 1.83 N ATOM 0 H LYS B 14 -4.942 -2.716 -2.636 1.00 0.33 H new ATOM 0 HA LYS B 14 -6.630 -0.770 -1.161 1.00 0.33 H new ATOM 0 HB2 LYS B 14 -3.819 -1.954 -0.812 1.00 0.31 H new ATOM 0 HB3 LYS B 14 -4.689 -1.051 0.412 1.00 0.31 H new ATOM 0 HG2 LYS B 14 -5.780 -3.612 -0.858 1.00 0.38 H new ATOM 0 HG3 LYS B 14 -4.847 -3.605 0.625 1.00 0.38 H new ATOM 0 HD2 LYS B 14 -6.539 -2.541 1.859 1.00 1.23 H new ATOM 0 HD3 LYS B 14 -7.183 -1.702 0.462 1.00 1.23 H new ATOM 0 HE2 LYS B 14 -8.109 -3.863 -0.430 1.00 1.37 H new ATOM 0 HE3 LYS B 14 -7.430 -4.730 0.934 1.00 1.37 H new ATOM 0 HZ1 LYS B 14 -9.734 -4.057 1.382 1.00 1.83 H new ATOM 0 HZ2 LYS B 14 -8.676 -3.266 2.449 1.00 1.83 H new ATOM 0 HZ3 LYS B 14 -9.333 -2.427 1.127 1.00 1.83 H new ATOM 238 N GLN B 15 -3.941 0.057 -2.827 1.00 0.25 N ATOM 239 CA GLN B 15 -3.182 1.196 -3.398 1.00 0.24 C ATOM 240 C GLN B 15 -4.062 1.953 -4.387 1.00 0.28 C ATOM 241 O GLN B 15 -4.204 3.153 -4.309 1.00 0.28 O ATOM 242 CB GLN B 15 -2.004 0.528 -4.120 1.00 0.24 C ATOM 243 CG GLN B 15 -0.718 0.777 -3.341 1.00 0.25 C ATOM 244 CD GLN B 15 0.252 -0.377 -3.591 1.00 0.30 C ATOM 245 OE1 GLN B 15 1.267 -0.207 -4.235 1.00 0.35 O ATOM 246 NE2 GLN B 15 -0.025 -1.554 -3.101 1.00 0.33 N ATOM 0 H GLN B 15 -3.611 -0.861 -3.126 1.00 0.25 H new ATOM 0 HA GLN B 15 -2.854 1.917 -2.649 1.00 0.24 H new ATOM 0 HB2 GLN B 15 -2.182 -0.543 -4.214 1.00 0.24 H new ATOM 0 HB3 GLN B 15 -1.911 0.926 -5.131 1.00 0.24 H new ATOM 0 HG2 GLN B 15 -0.268 1.720 -3.651 1.00 0.25 H new ATOM 0 HG3 GLN B 15 -0.934 0.862 -2.276 1.00 0.25 H new ATOM 0 HE21 GLN B 15 -0.879 -1.693 -2.560 1.00 0.33 H new ATOM 0 HE22 GLN B 15 0.612 -2.335 -3.259 1.00 0.33 H new ATOM 255 N ALA B 16 -4.659 1.259 -5.310 1.00 0.35 N ATOM 256 CA ALA B 16 -5.541 1.947 -6.299 1.00 0.41 C ATOM 257 C ALA B 16 -6.762 2.520 -5.583 1.00 0.40 C ATOM 258 O ALA B 16 -7.350 3.488 -6.026 1.00 0.43 O ATOM 259 CB ALA B 16 -5.952 0.868 -7.301 1.00 0.48 C ATOM 0 H ALA B 16 -4.578 0.249 -5.426 1.00 0.35 H new ATOM 0 HA ALA B 16 -5.040 2.777 -6.798 1.00 0.41 H new ATOM 0 HB1 ALA B 16 -6.603 1.304 -8.059 1.00 0.48 H new ATOM 0 HB2 ALA B 16 -5.063 0.458 -7.779 1.00 0.48 H new ATOM 0 HB3 ALA B 16 -6.484 0.072 -6.780 1.00 0.48 H new ATOM 265 N GLN B 17 -7.133 1.955 -4.462 1.00 0.40 N ATOM 266 CA GLN B 17 -8.295 2.509 -3.714 1.00 0.42 C ATOM 267 C GLN B 17 -7.808 3.735 -2.965 1.00 0.37 C ATOM 268 O GLN B 17 -8.466 4.755 -2.901 1.00 0.40 O ATOM 269 CB GLN B 17 -8.716 1.409 -2.737 1.00 0.45 C ATOM 270 CG GLN B 17 -9.929 0.638 -3.282 1.00 0.53 C ATOM 271 CD GLN B 17 -9.789 0.400 -4.791 1.00 0.66 C ATOM 272 OE1 GLN B 17 -8.712 0.133 -5.283 1.00 1.06 O ATOM 273 NE2 GLN B 17 -10.846 0.488 -5.552 1.00 1.33 N ATOM 0 H GLN B 17 -6.685 1.143 -4.038 1.00 0.40 H new ATOM 0 HA GLN B 17 -9.132 2.795 -4.352 1.00 0.42 H new ATOM 0 HB2 GLN B 17 -7.885 0.723 -2.574 1.00 0.45 H new ATOM 0 HB3 GLN B 17 -8.962 1.848 -1.770 1.00 0.45 H new ATOM 0 HG2 GLN B 17 -10.021 -0.317 -2.765 1.00 0.53 H new ATOM 0 HG3 GLN B 17 -10.842 1.198 -3.081 1.00 0.53 H new ATOM 0 HE21 GLN B 17 -11.753 0.712 -5.142 1.00 1.33 H new ATOM 0 HE22 GLN B 17 -10.765 0.333 -6.557 1.00 1.33 H new ATOM 282 N TRP B 18 -6.628 3.638 -2.429 1.00 0.32 N ATOM 283 CA TRP B 18 -6.032 4.787 -1.709 1.00 0.30 C ATOM 284 C TRP B 18 -5.639 5.853 -2.725 1.00 0.31 C ATOM 285 O TRP B 18 -5.942 7.020 -2.579 1.00 0.35 O ATOM 286 CB TRP B 18 -4.775 4.228 -1.049 1.00 0.25 C ATOM 287 CG TRP B 18 -4.003 5.361 -0.459 1.00 0.24 C ATOM 288 CD1 TRP B 18 -4.055 5.782 0.821 1.00 0.30 C ATOM 289 CD2 TRP B 18 -3.069 6.230 -1.133 1.00 0.24 C ATOM 290 NE1 TRP B 18 -3.213 6.876 0.959 1.00 0.31 N ATOM 291 CE2 TRP B 18 -2.577 7.178 -0.219 1.00 0.29 C ATOM 292 CE3 TRP B 18 -2.610 6.275 -2.444 1.00 0.28 C ATOM 293 CZ2 TRP B 18 -1.654 8.146 -0.604 1.00 0.34 C ATOM 294 CZ3 TRP B 18 -1.687 7.231 -2.836 1.00 0.36 C ATOM 295 CH2 TRP B 18 -1.208 8.165 -1.926 1.00 0.38 C ATOM 0 H TRP B 18 -6.046 2.801 -2.460 1.00 0.32 H new ATOM 0 HA TRP B 18 -6.715 5.232 -0.985 1.00 0.30 H new ATOM 0 HB2 TRP B 18 -5.042 3.509 -0.275 1.00 0.25 H new ATOM 0 HB3 TRP B 18 -4.167 3.697 -1.782 1.00 0.25 H new ATOM 0 HD1 TRP B 18 -4.652 5.342 1.606 1.00 0.30 H new ATOM 0 HE1 TRP B 18 -3.083 7.392 1.829 1.00 0.31 H new ATOM 0 HE3 TRP B 18 -2.976 5.558 -3.164 1.00 0.28 H new ATOM 0 HZ2 TRP B 18 -1.289 8.871 0.109 1.00 0.34 H new ATOM 0 HZ3 TRP B 18 -1.337 7.250 -3.858 1.00 0.36 H new ATOM 0 HH2 TRP B 18 -0.490 8.907 -2.242 1.00 0.38 H new ATOM 306 N LYS B 19 -4.959 5.439 -3.753 1.00 0.30 N ATOM 307 CA LYS B 19 -4.519 6.392 -4.806 1.00 0.37 C ATOM 308 C LYS B 19 -5.749 7.055 -5.387 1.00 0.46 C ATOM 309 O LYS B 19 -5.744 8.221 -5.732 1.00 0.70 O ATOM 310 CB LYS B 19 -3.813 5.545 -5.867 1.00 0.40 C ATOM 311 CG LYS B 19 -2.404 5.169 -5.402 1.00 0.49 C ATOM 312 CD LYS B 19 -1.580 4.680 -6.599 1.00 0.96 C ATOM 313 CE LYS B 19 -1.522 3.149 -6.595 1.00 1.30 C ATOM 314 NZ LYS B 19 -0.080 2.817 -6.421 1.00 1.92 N ATOM 0 H LYS B 19 -4.686 4.469 -3.911 1.00 0.30 H new ATOM 0 HA LYS B 19 -3.854 7.168 -4.427 1.00 0.37 H new ATOM 0 HB2 LYS B 19 -4.391 4.642 -6.063 1.00 0.40 H new ATOM 0 HB3 LYS B 19 -3.757 6.098 -6.805 1.00 0.40 H new ATOM 0 HG2 LYS B 19 -1.920 6.031 -4.942 1.00 0.49 H new ATOM 0 HG3 LYS B 19 -2.457 4.390 -4.642 1.00 0.49 H new ATOM 0 HD2 LYS B 19 -2.026 5.034 -7.529 1.00 0.96 H new ATOM 0 HD3 LYS B 19 -0.572 5.092 -6.551 1.00 0.96 H new ATOM 0 HE2 LYS B 19 -2.123 2.734 -5.786 1.00 1.30 H new ATOM 0 HE3 LYS B 19 -1.912 2.737 -7.526 1.00 1.30 H new ATOM 0 HZ1 LYS B 19 0.033 1.785 -6.358 1.00 1.92 H new ATOM 0 HZ2 LYS B 19 0.459 3.175 -7.235 1.00 1.92 H new ATOM 0 HZ3 LYS B 19 0.275 3.259 -5.549 1.00 1.92 H new ATOM 328 N ALA B 20 -6.815 6.314 -5.481 1.00 0.44 N ATOM 329 CA ALA B 20 -8.060 6.898 -6.023 1.00 0.52 C ATOM 330 C ALA B 20 -8.530 8.027 -5.107 1.00 0.56 C ATOM 331 O ALA B 20 -9.158 8.974 -5.541 1.00 0.74 O ATOM 332 CB ALA B 20 -9.075 5.761 -6.034 1.00 0.55 C ATOM 0 H ALA B 20 -6.874 5.334 -5.206 1.00 0.44 H new ATOM 0 HA ALA B 20 -7.924 7.316 -7.020 1.00 0.52 H new ATOM 0 HB1 ALA B 20 -10.025 6.125 -6.426 1.00 0.55 H new ATOM 0 HB2 ALA B 20 -8.708 4.952 -6.666 1.00 0.55 H new ATOM 0 HB3 ALA B 20 -9.219 5.392 -5.019 1.00 0.55 H new ATOM 338 N ALA B 21 -8.222 7.933 -3.838 1.00 0.54 N ATOM 339 CA ALA B 21 -8.641 9.001 -2.889 1.00 0.66 C ATOM 340 C ALA B 21 -7.418 9.656 -2.258 1.00 0.73 C ATOM 341 O ALA B 21 -7.466 10.178 -1.162 1.00 0.99 O ATOM 342 CB ALA B 21 -9.491 8.297 -1.833 1.00 0.71 C ATOM 0 H ALA B 21 -7.699 7.163 -3.421 1.00 0.54 H new ATOM 0 HA ALA B 21 -9.200 9.794 -3.385 1.00 0.66 H new ATOM 0 HB1 ALA B 21 -9.835 9.025 -1.098 1.00 0.71 H new ATOM 0 HB2 ALA B 21 -10.352 7.829 -2.311 1.00 0.71 H new ATOM 0 HB3 ALA B 21 -8.893 7.534 -1.335 1.00 0.71 H new ATOM 348 N ASN B 22 -6.335 9.653 -2.971 1.00 0.73 N ATOM 349 CA ASN B 22 -5.086 10.296 -2.464 1.00 0.88 C ATOM 350 C ASN B 22 -4.187 10.711 -3.630 1.00 1.08 C ATOM 351 O ASN B 22 -3.006 10.428 -3.628 1.00 0.00 O ATOM 352 CB ASN B 22 -4.379 9.256 -1.603 1.00 0.93 C ATOM 353 CG ASN B 22 -5.198 9.001 -0.340 1.00 0.94 C ATOM 354 OD1 ASN B 22 -5.414 9.895 0.453 1.00 1.13 O ATOM 355 ND2 ASN B 22 -5.659 7.809 -0.124 1.00 0.94 N ATOM 0 H ASN B 22 -6.254 9.229 -3.895 1.00 0.73 H new ATOM 0 HA ASN B 22 -5.316 11.194 -1.891 1.00 0.88 H new ATOM 0 HB2 ASN B 22 -4.255 8.329 -2.162 1.00 0.93 H new ATOM 0 HB3 ASN B 22 -3.381 9.605 -1.338 1.00 0.93 H new ATOM 0 HD21 ASN B 22 -6.206 7.618 0.715 1.00 0.94 H new ATOM 0 HD22 ASN B 22 -5.475 7.062 -0.793 1.00 0.94 H new ATOM 362 N PRO B 23 -4.770 11.399 -4.575 1.00 0.00 N ATOM 363 CA PRO B 23 -4.002 11.887 -5.733 1.00 0.00 C ATOM 364 C PRO B 23 -3.083 12.987 -5.224 1.00 0.00 C ATOM 365 O PRO B 23 -2.009 13.218 -5.738 1.00 0.00 O ATOM 366 CB PRO B 23 -5.068 12.423 -6.684 1.00 0.00 C ATOM 367 CG PRO B 23 -6.229 12.749 -5.805 1.00 0.00 C ATOM 368 CD PRO B 23 -6.169 11.795 -4.641 1.00 0.00 C ATOM 0 HA PRO B 23 -3.384 11.141 -6.233 1.00 0.00 H new ATOM 0 HB2 PRO B 23 -4.715 13.305 -7.218 1.00 0.00 H new ATOM 0 HB3 PRO B 23 -5.337 11.682 -7.436 1.00 0.00 H new ATOM 0 HG2 PRO B 23 -6.177 13.782 -5.462 1.00 0.00 H new ATOM 0 HG3 PRO B 23 -7.168 12.640 -6.347 1.00 0.00 H new ATOM 0 HD2 PRO B 23 -6.491 12.274 -3.716 1.00 0.00 H new ATOM 0 HD3 PRO B 23 -6.819 10.934 -4.798 1.00 0.00 H new ATOM 376 N LEU B 24 -3.501 13.642 -4.172 1.00 0.00 N ATOM 377 CA LEU B 24 -2.657 14.707 -3.569 1.00 0.00 C ATOM 378 C LEU B 24 -1.301 14.105 -3.207 1.00 0.00 C ATOM 379 O LEU B 24 -0.266 14.725 -3.342 1.00 0.00 O ATOM 380 CB LEU B 24 -3.434 15.170 -2.317 1.00 0.00 C ATOM 381 CG LEU B 24 -3.044 14.346 -1.067 1.00 0.00 C ATOM 382 CD1 LEU B 24 -3.550 15.066 0.184 1.00 0.00 C ATOM 383 CD2 LEU B 24 -3.668 12.938 -1.126 1.00 0.00 C ATOM 0 H LEU B 24 -4.394 13.482 -3.706 1.00 0.00 H new ATOM 0 HA LEU B 24 -2.467 15.548 -4.235 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -3.234 16.226 -2.134 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -4.505 15.075 -2.497 1.00 0.00 H new ATOM 0 HG LEU B 24 -1.959 14.247 -1.036 1.00 0.00 H new ATOM 0 HD11 LEU B 24 -3.279 14.491 1.069 1.00 0.00 H new ATOM 0 HD12 LEU B 24 -3.098 16.056 0.242 1.00 0.00 H new ATOM 0 HD13 LEU B 24 -4.634 15.165 0.134 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -3.381 12.375 -0.238 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -4.754 13.023 -1.167 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -3.311 12.419 -2.015 1.00 0.00 H new ATOM 395 N LEU B 25 -1.319 12.872 -2.793 1.00 0.00 N ATOM 396 CA LEU B 25 -0.061 12.159 -2.464 1.00 0.00 C ATOM 397 C LEU B 25 0.261 11.275 -3.653 1.00 0.00 C ATOM 398 O LEU B 25 0.740 10.166 -3.530 1.00 0.00 O ATOM 399 CB LEU B 25 -0.400 11.320 -1.234 1.00 0.00 C ATOM 400 CG LEU B 25 -0.182 12.150 0.031 1.00 0.00 C ATOM 401 CD1 LEU B 25 -0.898 11.487 1.209 1.00 0.00 C ATOM 402 CD2 LEU B 25 1.316 12.239 0.331 1.00 0.00 C ATOM 0 H LEU B 25 -2.168 12.320 -2.667 1.00 0.00 H new ATOM 0 HA LEU B 25 0.792 12.807 -2.265 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -1.435 10.983 -1.286 1.00 0.00 H new ATOM 0 HB3 LEU B 25 0.225 10.427 -1.207 1.00 0.00 H new ATOM 0 HG LEU B 25 -0.584 13.152 -0.120 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -0.742 12.080 2.110 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -1.965 11.424 0.997 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -0.498 10.484 1.360 1.00 0.00 H new ATOM 0 HD21 LEU B 25 1.472 12.831 1.233 1.00 0.00 H new ATOM 0 HD22 LEU B 25 1.717 11.237 0.481 1.00 0.00 H new ATOM 0 HD23 LEU B 25 1.827 12.713 -0.507 1.00 0.00 H new ATOM 414 N VAL B 26 -0.057 11.773 -4.808 1.00 0.00 N ATOM 415 CA VAL B 26 0.151 11.006 -6.053 1.00 0.00 C ATOM 416 C VAL B 26 0.263 11.979 -7.229 1.00 0.00 C ATOM 417 O VAL B 26 -0.678 12.663 -7.571 1.00 0.00 O ATOM 418 CB VAL B 26 -1.112 10.138 -6.138 1.00 0.00 C ATOM 419 CG1 VAL B 26 -1.703 10.173 -7.549 1.00 0.00 C ATOM 420 CG2 VAL B 26 -0.742 8.707 -5.761 1.00 0.00 C ATOM 0 H VAL B 26 -0.461 12.700 -4.942 1.00 0.00 H new ATOM 0 HA VAL B 26 1.060 10.404 -6.073 1.00 0.00 H new ATOM 0 HB VAL B 26 -1.865 10.526 -5.451 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -2.597 9.551 -7.585 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -1.964 11.199 -7.809 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -0.969 9.795 -8.260 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -1.629 8.075 -5.816 1.00 0.00 H new ATOM 0 HG22 VAL B 26 0.014 8.333 -6.452 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -0.346 8.689 -4.746 1.00 0.00 H new ATOM 430 N GLY B 27 1.409 12.054 -7.837 1.00 0.00 N ATOM 431 CA GLY B 27 1.580 13.001 -8.977 1.00 0.00 C ATOM 432 C GLY B 27 1.481 14.434 -8.439 1.00 0.00 C ATOM 433 O GLY B 27 2.452 15.164 -8.411 1.00 0.00 O ATOM 0 H GLY B 27 2.234 11.504 -7.598 1.00 0.00 H new ATOM 0 HA2 GLY B 27 2.545 12.843 -9.459 1.00 0.00 H new ATOM 0 HA3 GLY B 27 0.814 12.826 -9.733 1.00 0.00 H new ATOM 437 N VAL B 28 0.315 14.832 -7.995 1.00 0.00 N ATOM 438 CA VAL B 28 0.151 16.209 -7.437 1.00 0.00 C ATOM 439 C VAL B 28 1.074 16.386 -6.231 1.00 0.00 C ATOM 440 O VAL B 28 1.603 15.428 -5.702 1.00 0.00 O ATOM 441 CB VAL B 28 -1.314 16.300 -7.001 1.00 0.00 C ATOM 442 CG1 VAL B 28 -1.610 17.720 -6.512 1.00 0.00 C ATOM 443 CG2 VAL B 28 -2.226 15.974 -8.187 1.00 0.00 C ATOM 0 H VAL B 28 -0.531 14.262 -7.995 1.00 0.00 H new ATOM 0 HA VAL B 28 0.403 16.982 -8.163 1.00 0.00 H new ATOM 0 HB VAL B 28 -1.496 15.587 -6.197 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -2.652 17.788 -6.201 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -0.963 17.956 -5.667 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -1.426 18.429 -7.319 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -3.268 16.040 -7.874 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -2.044 16.686 -8.992 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -2.016 14.964 -8.540 1.00 0.00 H new ATOM 453 N SER B 29 1.272 17.601 -5.789 1.00 0.00 N ATOM 454 CA SER B 29 2.166 17.833 -4.614 1.00 0.00 C ATOM 455 C SER B 29 3.520 17.154 -4.836 1.00 0.00 C ATOM 456 O SER B 29 3.887 16.826 -5.947 1.00 0.00 O ATOM 457 CB SER B 29 1.432 17.206 -3.423 1.00 0.00 C ATOM 458 OG SER B 29 1.890 15.873 -3.229 1.00 0.00 O ATOM 0 H SER B 29 0.855 18.441 -6.189 1.00 0.00 H new ATOM 0 HA SER B 29 2.368 18.892 -4.452 1.00 0.00 H new ATOM 0 HB2 SER B 29 1.607 17.796 -2.523 1.00 0.00 H new ATOM 0 HB3 SER B 29 0.357 17.210 -3.602 1.00 0.00 H new ATOM 0 HG SER B 29 1.394 15.268 -3.819 1.00 0.00 H new ATOM 464 N ALA B 30 4.259 16.943 -3.783 1.00 0.00 N ATOM 465 CA ALA B 30 5.593 16.283 -3.917 1.00 0.00 C ATOM 466 C ALA B 30 6.456 17.034 -4.936 1.00 0.00 C ATOM 467 O ALA B 30 6.971 16.459 -5.875 1.00 0.00 O ATOM 468 CB ALA B 30 5.293 14.863 -4.407 1.00 0.00 C ATOM 0 H ALA B 30 3.998 17.199 -2.831 1.00 0.00 H new ATOM 0 HA ALA B 30 6.145 16.278 -2.977 1.00 0.00 H new ATOM 0 HB1 ALA B 30 6.227 14.315 -4.529 1.00 0.00 H new ATOM 0 HB2 ALA B 30 4.665 14.351 -3.677 1.00 0.00 H new ATOM 0 HB3 ALA B 30 4.773 14.911 -5.364 1.00 0.00 H new ATOM 474 N LYS B 31 6.611 18.317 -4.753 1.00 0.00 N ATOM 475 CA LYS B 31 7.436 19.119 -5.705 1.00 0.00 C ATOM 476 C LYS B 31 7.896 20.419 -5.035 1.00 0.00 C ATOM 477 O LYS B 31 7.350 21.473 -5.288 1.00 0.00 O ATOM 478 CB LYS B 31 6.508 19.419 -6.887 1.00 0.00 C ATOM 479 CG LYS B 31 5.217 20.072 -6.379 1.00 0.00 C ATOM 480 CD LYS B 31 4.837 21.243 -7.289 1.00 0.00 C ATOM 481 CE LYS B 31 3.780 22.105 -6.595 1.00 0.00 C ATOM 482 NZ LYS B 31 3.772 23.389 -7.350 1.00 0.00 N ATOM 0 H LYS B 31 6.201 18.847 -3.984 1.00 0.00 H new ATOM 0 HA LYS B 31 8.334 18.589 -6.022 1.00 0.00 H new ATOM 0 HB2 LYS B 31 7.007 20.081 -7.595 1.00 0.00 H new ATOM 0 HB3 LYS B 31 6.275 18.498 -7.422 1.00 0.00 H new ATOM 0 HG2 LYS B 31 4.411 19.339 -6.359 1.00 0.00 H new ATOM 0 HG3 LYS B 31 5.354 20.423 -5.356 1.00 0.00 H new ATOM 0 HD2 LYS B 31 5.719 21.842 -7.516 1.00 0.00 H new ATOM 0 HD3 LYS B 31 4.452 20.870 -8.238 1.00 0.00 H new ATOM 0 HE2 LYS B 31 2.801 21.626 -6.621 1.00 0.00 H new ATOM 0 HE3 LYS B 31 4.029 22.266 -5.546 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 3.070 24.033 -6.932 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 4.715 23.826 -7.302 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 3.525 23.206 -8.344 1.00 0.00 H new ATOM 496 N PRO B 32 8.889 20.295 -4.191 1.00 0.00 N ATOM 497 CA PRO B 32 9.424 21.475 -3.471 1.00 0.00 C ATOM 498 C PRO B 32 10.312 22.315 -4.395 1.00 0.00 C ATOM 499 O PRO B 32 11.289 21.835 -4.937 1.00 0.00 O ATOM 500 CB PRO B 32 10.245 20.863 -2.341 1.00 0.00 C ATOM 501 CG PRO B 32 10.633 19.500 -2.826 1.00 0.00 C ATOM 502 CD PRO B 32 9.599 19.061 -3.834 1.00 0.00 C ATOM 0 HA PRO B 32 8.643 22.145 -3.112 1.00 0.00 H new ATOM 0 HB2 PRO B 32 11.125 21.468 -2.122 1.00 0.00 H new ATOM 0 HB3 PRO B 32 9.664 20.802 -1.421 1.00 0.00 H new ATOM 0 HG2 PRO B 32 11.624 19.523 -3.280 1.00 0.00 H new ATOM 0 HG3 PRO B 32 10.679 18.797 -1.994 1.00 0.00 H new ATOM 0 HD2 PRO B 32 10.065 18.604 -4.707 1.00 0.00 H new ATOM 0 HD3 PRO B 32 8.920 18.321 -3.410 1.00 0.00 H new ATOM 510 N VAL B 33 9.978 23.566 -4.574 1.00 0.00 N ATOM 511 CA VAL B 33 10.802 24.444 -5.459 1.00 0.00 C ATOM 512 C VAL B 33 11.245 25.694 -4.695 1.00 0.00 C ATOM 513 O VAL B 33 10.539 26.190 -3.839 1.00 0.00 O ATOM 514 CB VAL B 33 9.879 24.825 -6.620 1.00 0.00 C ATOM 515 CG1 VAL B 33 9.446 23.563 -7.369 1.00 0.00 C ATOM 516 CG2 VAL B 33 8.640 25.546 -6.078 1.00 0.00 C ATOM 0 H VAL B 33 9.170 24.019 -4.146 1.00 0.00 H new ATOM 0 HA VAL B 33 11.706 23.944 -5.807 1.00 0.00 H new ATOM 0 HB VAL B 33 10.414 25.486 -7.302 1.00 0.00 H new ATOM 0 HG11 VAL B 33 8.789 23.837 -8.195 1.00 0.00 H new ATOM 0 HG12 VAL B 33 10.326 23.052 -7.760 1.00 0.00 H new ATOM 0 HG13 VAL B 33 8.914 22.900 -6.687 1.00 0.00 H new ATOM 0 HG21 VAL B 33 7.985 25.816 -6.906 1.00 0.00 H new ATOM 0 HG22 VAL B 33 8.106 24.887 -5.393 1.00 0.00 H new ATOM 0 HG23 VAL B 33 8.947 26.448 -5.549 1.00 0.00 H new ATOM 526 N ASN B 34 12.406 26.210 -4.998 1.00 0.00 N ATOM 527 CA ASN B 34 12.886 27.433 -4.289 1.00 0.00 C ATOM 528 C ASN B 34 12.011 28.634 -4.662 1.00 0.00 C ATOM 529 O ASN B 34 12.367 29.439 -5.502 1.00 0.00 O ATOM 530 CB ASN B 34 14.326 27.640 -4.768 1.00 0.00 C ATOM 531 CG ASN B 34 14.353 27.771 -6.294 1.00 0.00 C ATOM 532 OD1 ASN B 34 13.987 26.853 -7.000 1.00 0.00 O ATOM 533 ND2 ASN B 34 14.774 28.882 -6.834 1.00 0.00 N ATOM 0 H ASN B 34 13.042 25.839 -5.704 1.00 0.00 H new ATOM 0 HA ASN B 34 12.836 27.328 -3.205 1.00 0.00 H new ATOM 0 HB2 ASN B 34 14.746 28.535 -4.310 1.00 0.00 H new ATOM 0 HB3 ASN B 34 14.947 26.801 -4.455 1.00 0.00 H new ATOM 0 HD21 ASN B 34 14.796 28.979 -7.849 1.00 0.00 H new ATOM 0 HD22 ASN B 34 15.081 29.653 -6.241 1.00 0.00 H new ATOM 540 N ARG B 35 10.866 28.756 -4.046 1.00 0.00 N ATOM 541 CA ARG B 35 9.961 29.899 -4.365 1.00 0.00 C ATOM 542 C ARG B 35 9.392 30.504 -3.076 1.00 0.00 C ATOM 543 O ARG B 35 9.573 29.958 -2.006 1.00 0.00 O ATOM 544 CB ARG B 35 8.842 29.289 -5.210 1.00 0.00 C ATOM 545 CG ARG B 35 9.152 29.490 -6.695 1.00 0.00 C ATOM 546 CD ARG B 35 9.820 28.231 -7.254 1.00 0.00 C ATOM 547 NE ARG B 35 10.706 28.721 -8.349 1.00 0.00 N ATOM 548 CZ ARG B 35 10.202 29.106 -9.499 1.00 0.00 C ATOM 549 NH1 ARG B 35 8.911 29.068 -9.711 1.00 0.00 N ATOM 550 NH2 ARG B 35 10.998 29.529 -10.442 1.00 0.00 N ATOM 0 H ARG B 35 10.517 28.113 -3.335 1.00 0.00 H new ATOM 0 HA ARG B 35 10.479 30.703 -4.889 1.00 0.00 H new ATOM 0 HB2 ARG B 35 8.744 28.226 -4.989 1.00 0.00 H new ATOM 0 HB3 ARG B 35 7.889 29.755 -4.961 1.00 0.00 H new ATOM 0 HG2 ARG B 35 8.234 29.701 -7.243 1.00 0.00 H new ATOM 0 HG3 ARG B 35 9.807 30.351 -6.827 1.00 0.00 H new ATOM 0 HD2 ARG B 35 10.392 27.713 -6.485 1.00 0.00 H new ATOM 0 HD3 ARG B 35 9.080 27.525 -7.631 1.00 0.00 H new ATOM 0 HE ARG B 35 11.715 28.758 -8.203 1.00 0.00 H new ATOM 0 HH11 ARG B 35 8.283 28.736 -8.978 1.00 0.00 H new ATOM 0 HH12 ARG B 35 8.532 29.370 -10.609 1.00 0.00 H new ATOM 0 HH21 ARG B 35 12.005 29.559 -10.284 1.00 0.00 H new ATOM 0 HH22 ARG B 35 10.613 29.829 -11.338 1.00 0.00 H new ATOM 564 N PRO B 36 8.718 31.617 -3.223 1.00 0.00 N ATOM 565 CA PRO B 36 8.116 32.299 -2.049 1.00 0.00 C ATOM 566 C PRO B 36 6.904 31.515 -1.540 1.00 0.00 C ATOM 567 O PRO B 36 6.820 30.334 -1.837 1.00 0.00 O ATOM 568 CB PRO B 36 7.690 33.656 -2.604 1.00 0.00 C ATOM 569 CG PRO B 36 7.501 33.432 -4.069 1.00 0.00 C ATOM 570 CD PRO B 36 8.455 32.339 -4.475 1.00 0.00 C ATOM 571 OXT PRO B 36 6.081 32.108 -0.862 1.00 0.00 O ATOM 0 HA PRO B 36 8.800 32.384 -1.205 1.00 0.00 H new ATOM 0 HB2 PRO B 36 6.769 34.003 -2.136 1.00 0.00 H new ATOM 0 HB3 PRO B 36 8.449 34.415 -2.415 1.00 0.00 H new ATOM 0 HG2 PRO B 36 6.472 33.145 -4.286 1.00 0.00 H new ATOM 0 HG3 PRO B 36 7.702 34.346 -4.628 1.00 0.00 H new ATOM 0 HD2 PRO B 36 8.016 31.685 -5.229 1.00 0.00 H new ATOM 0 HD3 PRO B 36 9.372 32.747 -4.901 1.00 0.00 H new TER 579 PRO B 36 ATOM 580 P G A 1 13.833 -18.255 1.034 1.00 1.31 P ATOM 581 OP1 G A 1 15.095 -17.948 0.313 1.00 1.51 O ATOM 582 OP2 G A 1 13.869 -18.522 2.494 1.00 1.52 O ATOM 583 O5' G A 1 12.810 -17.063 0.768 1.00 1.09 O ATOM 584 C5' G A 1 12.258 -16.304 1.860 1.00 1.03 C ATOM 585 C4' G A 1 11.266 -17.145 2.629 1.00 0.94 C ATOM 586 O4' G A 1 11.630 -17.117 4.031 1.00 1.02 O ATOM 587 C3' G A 1 9.839 -16.622 2.602 1.00 0.80 C ATOM 588 O3' G A 1 9.143 -17.129 1.466 1.00 0.75 O ATOM 589 C2' G A 1 9.250 -17.173 3.896 1.00 0.78 C ATOM 590 O2' G A 1 8.742 -18.486 3.754 1.00 0.77 O ATOM 591 C1' G A 1 10.461 -17.175 4.827 1.00 0.90 C ATOM 592 N9 G A 1 10.448 -16.011 5.702 1.00 0.90 N ATOM 593 C8 G A 1 11.170 -14.854 5.551 1.00 0.97 C ATOM 594 N7 G A 1 10.926 -13.975 6.484 1.00 0.99 N ATOM 595 C5 G A 1 9.986 -14.593 7.298 1.00 0.90 C ATOM 596 C6 G A 1 9.342 -14.128 8.466 1.00 0.88 C ATOM 597 O6 G A 1 9.479 -13.043 9.032 1.00 0.94 O ATOM 598 N1 G A 1 8.457 -15.073 8.980 1.00 0.82 N ATOM 599 C2 G A 1 8.227 -16.311 8.429 1.00 0.81 C ATOM 600 N2 G A 1 7.337 -17.088 9.066 1.00 0.83 N ATOM 601 N3 G A 1 8.824 -16.756 7.337 1.00 0.83 N ATOM 602 C4 G A 1 9.685 -15.851 6.828 1.00 0.86 C ATOM 0 H5' G A 1 11.768 -15.408 1.479 1.00 1.03 H new ATOM 0 H5'' G A 1 13.057 -15.973 2.523 1.00 1.03 H new ATOM 0 H4' G A 1 11.299 -18.127 2.158 1.00 0.94 H new ATOM 0 H3' G A 1 9.773 -15.536 2.531 1.00 0.80 H new ATOM 0 H2' G A 1 8.402 -16.586 4.247 1.00 0.78 H new ATOM 0 HO2' G A 1 8.781 -18.752 2.811 1.00 0.77 H new ATOM 0 H1' G A 1 10.435 -18.077 5.439 1.00 0.90 H new ATOM 0 H8 G A 1 11.868 -14.688 4.744 1.00 0.97 H new ATOM 0 H1 G A 1 7.943 -14.829 9.826 1.00 0.82 H new ATOM 0 H21 G A 1 7.123 -18.018 8.707 1.00 0.83 H new ATOM 0 H22 G A 1 6.875 -16.748 9.909 1.00 0.83 H new ATOM 614 P C A 2 7.591 -16.766 1.256 1.00 0.69 P ATOM 615 OP1 C A 2 7.039 -17.663 0.208 1.00 0.84 O ATOM 616 OP2 C A 2 7.498 -15.295 1.087 1.00 0.82 O ATOM 617 O5' C A 2 6.917 -17.147 2.649 1.00 0.58 O ATOM 618 C5' C A 2 6.009 -18.259 2.752 1.00 0.57 C ATOM 619 C4' C A 2 4.748 -17.833 3.467 1.00 0.55 C ATOM 620 O4' C A 2 5.097 -17.419 4.809 1.00 0.54 O ATOM 621 C3' C A 2 4.072 -16.608 2.876 1.00 0.51 C ATOM 622 O3' C A 2 3.191 -16.985 1.821 1.00 0.59 O ATOM 623 C2' C A 2 3.294 -16.049 4.062 1.00 0.53 C ATOM 624 O2' C A 2 2.014 -16.635 4.204 1.00 0.67 O ATOM 625 C1' C A 2 4.181 -16.434 5.250 1.00 0.51 C ATOM 626 N1 C A 2 4.947 -15.300 5.787 1.00 0.45 N ATOM 627 C2 C A 2 4.547 -14.750 7.003 1.00 0.44 C ATOM 628 O2 C A 2 3.568 -15.240 7.582 1.00 0.49 O ATOM 629 N3 C A 2 5.232 -13.705 7.517 1.00 0.43 N ATOM 630 C4 C A 2 6.282 -13.210 6.859 1.00 0.45 C ATOM 631 N4 C A 2 6.929 -12.177 7.405 1.00 0.49 N ATOM 632 C5 C A 2 6.715 -13.753 5.613 1.00 0.47 C ATOM 633 C6 C A 2 6.025 -14.790 5.116 1.00 0.46 C ATOM 0 H5' C A 2 6.484 -19.078 3.292 1.00 0.57 H new ATOM 0 H5'' C A 2 5.764 -18.633 1.758 1.00 0.57 H new ATOM 0 H4' C A 2 4.080 -18.692 3.398 1.00 0.55 H new ATOM 0 H3' C A 2 4.768 -15.891 2.441 1.00 0.51 H new ATOM 0 H2' C A 2 3.103 -14.981 3.961 1.00 0.53 H new ATOM 0 HO2' C A 2 1.359 -15.940 4.423 1.00 0.67 H new ATOM 0 H1' C A 2 3.531 -16.795 6.047 1.00 0.51 H new ATOM 0 H41 C A 2 7.736 -11.772 6.931 1.00 0.49 H new ATOM 0 H42 C A 2 6.616 -11.793 8.296 1.00 0.49 H new ATOM 0 H5 C A 2 7.567 -13.344 5.089 1.00 0.47 H new ATOM 0 H6 C A 2 6.324 -15.228 4.175 1.00 0.46 H new ATOM 645 P C A 3 2.383 -15.855 1.012 1.00 0.67 P ATOM 646 OP1 C A 3 1.052 -16.419 0.671 1.00 1.00 O ATOM 647 OP2 C A 3 3.260 -15.338 -0.069 1.00 1.20 O ATOM 648 O5' C A 3 2.168 -14.693 2.081 1.00 0.89 O ATOM 649 C5' C A 3 1.026 -13.819 2.007 1.00 0.68 C ATOM 650 C4' C A 3 0.336 -13.748 3.345 1.00 0.61 C ATOM 651 O4' C A 3 1.331 -13.959 4.376 1.00 0.67 O ATOM 652 C3' C A 3 -0.243 -12.380 3.645 1.00 0.56 C ATOM 653 O3' C A 3 -1.577 -12.285 3.134 1.00 0.57 O ATOM 654 C2' C A 3 -0.175 -12.290 5.166 1.00 0.57 C ATOM 655 O2' C A 3 -1.292 -12.844 5.831 1.00 0.64 O ATOM 656 C1' C A 3 1.067 -13.122 5.487 1.00 0.62 C ATOM 657 N1 C A 3 2.264 -12.297 5.705 1.00 0.61 N ATOM 658 C2 C A 3 2.305 -11.429 6.800 1.00 0.56 C ATOM 659 O2 C A 3 1.324 -11.369 7.558 1.00 0.55 O ATOM 660 N3 C A 3 3.411 -10.677 7.005 1.00 0.58 N ATOM 661 C4 C A 3 4.444 -10.771 6.165 1.00 0.65 C ATOM 662 N4 C A 3 5.517 -10.015 6.403 1.00 0.71 N ATOM 663 C5 C A 3 4.427 -11.644 5.041 1.00 0.71 C ATOM 664 C6 C A 3 3.326 -12.382 4.849 1.00 0.68 C ATOM 0 H5' C A 3 0.330 -14.181 1.250 1.00 0.68 H new ATOM 0 H5'' C A 3 1.341 -12.822 1.699 1.00 0.68 H new ATOM 0 H4' C A 3 -0.462 -14.490 3.322 1.00 0.61 H new ATOM 0 H3' C A 3 0.293 -11.555 3.176 1.00 0.56 H new ATOM 0 H2' C A 3 -0.151 -11.252 5.496 1.00 0.57 H new ATOM 0 HO2' C A 3 -1.449 -13.754 5.503 1.00 0.64 H new ATOM 0 H1' C A 3 0.863 -13.678 6.402 1.00 0.62 H new ATOM 0 H41 C A 3 6.323 -10.063 5.780 1.00 0.71 H new ATOM 0 H42 C A 3 5.531 -9.389 7.208 1.00 0.71 H new ATOM 0 H5 C A 3 5.270 -11.709 4.369 1.00 0.71 H new ATOM 0 H6 C A 3 3.277 -13.054 4.005 1.00 0.68 H new ATOM 676 P C A 4 -2.793 -13.010 3.895 1.00 0.57 P ATOM 677 OP1 C A 4 -2.275 -14.223 4.578 1.00 0.73 O ATOM 678 OP2 C A 4 -3.907 -13.139 2.922 1.00 0.60 O ATOM 679 O5' C A 4 -3.227 -11.938 4.989 1.00 0.61 O ATOM 680 C5' C A 4 -3.068 -10.531 4.726 1.00 0.51 C ATOM 681 C4' C A 4 -2.977 -9.756 6.016 1.00 0.47 C ATOM 682 O4' C A 4 -1.683 -9.996 6.623 1.00 0.55 O ATOM 683 C3' C A 4 -3.018 -8.252 5.823 1.00 0.45 C ATOM 684 O3' C A 4 -4.360 -7.784 5.779 1.00 0.51 O ATOM 685 C2' C A 4 -2.289 -7.733 7.054 1.00 0.47 C ATOM 686 O2' C A 4 -3.135 -7.599 8.181 1.00 0.57 O ATOM 687 C1' C A 4 -1.253 -8.829 7.303 1.00 0.48 C ATOM 688 N1 C A 4 0.072 -8.458 6.787 1.00 0.43 N ATOM 689 C2 C A 4 0.816 -7.482 7.458 1.00 0.39 C ATOM 690 O2 C A 4 0.340 -6.952 8.474 1.00 0.43 O ATOM 691 N3 C A 4 2.033 -7.141 6.980 1.00 0.38 N ATOM 692 C4 C A 4 2.505 -7.738 5.883 1.00 0.45 C ATOM 693 N4 C A 4 3.703 -7.381 5.443 1.00 0.51 N ATOM 694 C5 C A 4 1.768 -8.729 5.190 1.00 0.51 C ATOM 695 C6 C A 4 0.570 -9.056 5.665 1.00 0.48 C ATOM 0 H5' C A 4 -3.910 -10.168 4.137 1.00 0.51 H new ATOM 0 H5'' C A 4 -2.169 -10.366 4.132 1.00 0.51 H new ATOM 0 H4' C A 4 -3.828 -10.086 6.612 1.00 0.47 H new ATOM 0 H3' C A 4 -2.566 -7.920 4.888 1.00 0.45 H new ATOM 0 H2' C A 4 -1.876 -6.736 6.899 1.00 0.47 H new ATOM 0 HO2' C A 4 -2.616 -7.264 8.942 1.00 0.57 H new ATOM 0 H1' C A 4 -1.167 -8.987 8.378 1.00 0.48 H new ATOM 0 H41 C A 4 4.091 -7.819 4.607 1.00 0.51 H new ATOM 0 H42 C A 4 4.237 -6.668 5.940 1.00 0.51 H new ATOM 0 H5 C A 4 2.166 -9.203 4.305 1.00 0.51 H new ATOM 0 H6 C A 4 -0.018 -9.806 5.156 1.00 0.48 H new ATOM 707 P U A 5 -4.709 -6.460 4.938 1.00 0.57 P ATOM 708 OP1 U A 5 -6.184 -6.381 4.783 1.00 0.77 O ATOM 709 OP2 U A 5 -3.843 -6.458 3.733 1.00 0.62 O ATOM 710 O5' U A 5 -4.239 -5.275 5.891 1.00 0.49 O ATOM 711 C5' U A 5 -4.724 -5.184 7.241 1.00 0.45 C ATOM 712 C4' U A 5 -3.901 -4.195 8.028 1.00 0.41 C ATOM 713 O4' U A 5 -2.560 -4.710 8.202 1.00 0.47 O ATOM 714 C3' U A 5 -3.677 -2.866 7.332 1.00 0.35 C ATOM 715 O3' U A 5 -4.804 -2.016 7.551 1.00 0.36 O ATOM 716 C2' U A 5 -2.425 -2.337 8.025 1.00 0.41 C ATOM 717 O2' U A 5 -2.712 -1.609 9.204 1.00 0.50 O ATOM 718 C1' U A 5 -1.671 -3.622 8.372 1.00 0.43 C ATOM 719 N1 U A 5 -0.482 -3.839 7.536 1.00 0.43 N ATOM 720 C2 U A 5 0.592 -3.010 7.767 1.00 0.40 C ATOM 721 O2 U A 5 0.573 -2.128 8.610 1.00 0.39 O ATOM 722 N3 U A 5 1.689 -3.248 6.979 1.00 0.43 N ATOM 723 C4 U A 5 1.817 -4.202 6.001 1.00 0.50 C ATOM 724 O4 U A 5 2.875 -4.284 5.373 1.00 0.54 O ATOM 725 C5 U A 5 0.662 -5.024 5.817 1.00 0.55 C ATOM 726 C6 U A 5 -0.429 -4.821 6.572 1.00 0.51 C ATOM 0 H5' U A 5 -4.681 -6.164 7.717 1.00 0.45 H new ATOM 0 H5'' U A 5 -5.770 -4.877 7.239 1.00 0.45 H new ATOM 0 H4' U A 5 -4.467 -4.050 8.948 1.00 0.41 H new ATOM 0 H3' U A 5 -3.559 -2.933 6.250 1.00 0.35 H new ATOM 0 H2' U A 5 -1.874 -1.638 7.396 1.00 0.41 H new ATOM 0 HO2' U A 5 -2.929 -2.232 9.929 1.00 0.50 H new ATOM 0 H1' U A 5 -1.321 -3.536 9.401 1.00 0.43 H new ATOM 0 H3 U A 5 2.500 -2.650 7.137 1.00 0.43 H new ATOM 0 H5 U A 5 0.667 -5.806 5.072 1.00 0.55 H new ATOM 0 H6 U A 5 -1.294 -5.449 6.418 1.00 0.51 H new ATOM 737 P G A 6 -4.639 -0.418 7.463 1.00 0.43 P ATOM 738 OP1 G A 6 -4.697 0.134 8.841 1.00 0.65 O ATOM 739 OP2 G A 6 -5.597 0.069 6.437 1.00 0.54 O ATOM 740 O5' G A 6 -3.166 -0.204 6.900 1.00 0.43 O ATOM 741 C5' G A 6 -2.243 0.685 7.555 1.00 0.47 C ATOM 742 C4' G A 6 -1.497 1.502 6.530 1.00 0.47 C ATOM 743 O4' G A 6 -0.144 0.997 6.425 1.00 0.53 O ATOM 744 C3' G A 6 -2.031 1.365 5.117 1.00 0.39 C ATOM 745 O3' G A 6 -3.105 2.273 4.898 1.00 0.41 O ATOM 746 C2' G A 6 -0.823 1.733 4.263 1.00 0.48 C ATOM 747 O2' G A 6 -0.715 3.124 4.030 1.00 0.59 O ATOM 748 C1' G A 6 0.348 1.247 5.121 1.00 0.49 C ATOM 749 N9 G A 6 0.937 0.016 4.608 1.00 0.50 N ATOM 750 C8 G A 6 0.385 -1.241 4.631 1.00 0.60 C ATOM 751 N7 G A 6 1.154 -2.146 4.090 1.00 0.63 N ATOM 752 C5 G A 6 2.281 -1.442 3.684 1.00 0.54 C ATOM 753 C6 G A 6 3.458 -1.889 3.028 1.00 0.55 C ATOM 754 O6 G A 6 3.752 -3.034 2.667 1.00 0.61 O ATOM 755 N1 G A 6 4.348 -0.840 2.797 1.00 0.55 N ATOM 756 C2 G A 6 4.125 0.468 3.154 1.00 0.57 C ATOM 757 N2 G A 6 5.094 1.346 2.852 1.00 0.70 N ATOM 758 N3 G A 6 3.032 0.894 3.764 1.00 0.53 N ATOM 759 C4 G A 6 2.160 -0.107 3.997 1.00 0.49 C ATOM 0 H5' G A 6 -1.539 0.111 8.157 1.00 0.47 H new ATOM 0 H5'' G A 6 -2.782 1.344 8.236 1.00 0.47 H new ATOM 0 H4' G A 6 -1.589 2.533 6.871 1.00 0.47 H new ATOM 0 H3' G A 6 -2.429 0.375 4.895 1.00 0.39 H new ATOM 0 H2' G A 6 -0.874 1.291 3.268 1.00 0.48 H new ATOM 0 HO2' G A 6 0.037 3.297 3.426 1.00 0.59 H new ATOM 0 H1' G A 6 1.121 2.015 5.112 1.00 0.49 H new ATOM 0 H8 G A 6 -0.585 -1.458 5.053 1.00 0.60 H new ATOM 0 H1 G A 6 5.228 -1.060 2.329 1.00 0.55 H new ATOM 0 H21 G A 6 4.983 2.331 3.093 1.00 0.70 H new ATOM 0 H22 G A 6 5.941 1.028 2.381 1.00 0.70 H new ATOM 771 P A A 7 -3.966 2.177 3.545 1.00 0.43 P ATOM 772 OP1 A A 7 -4.292 3.556 3.100 1.00 0.66 O ATOM 773 OP2 A A 7 -5.062 1.205 3.785 1.00 0.74 O ATOM 774 O5' A A 7 -2.956 1.537 2.493 1.00 0.33 O ATOM 775 C5' A A 7 -3.369 1.271 1.140 1.00 0.29 C ATOM 776 C4' A A 7 -2.450 1.966 0.167 1.00 0.23 C ATOM 777 O4' A A 7 -2.587 3.395 0.328 1.00 0.23 O ATOM 778 C3' A A 7 -0.967 1.736 0.392 1.00 0.25 C ATOM 779 O3' A A 7 -0.555 0.516 -0.216 1.00 0.27 O ATOM 780 C2' A A 7 -0.334 2.942 -0.298 1.00 0.24 C ATOM 781 O2' A A 7 -0.117 2.736 -1.681 1.00 0.25 O ATOM 782 C1' A A 7 -1.394 4.024 -0.094 1.00 0.21 C ATOM 783 N9 A A 7 -1.000 5.005 0.916 1.00 0.24 N ATOM 784 C8 A A 7 -1.513 5.175 2.178 1.00 0.29 C ATOM 785 N7 A A 7 -0.941 6.144 2.854 1.00 0.33 N ATOM 786 C5 A A 7 0.010 6.645 1.978 1.00 0.30 C ATOM 787 C6 A A 7 0.950 7.685 2.093 1.00 0.34 C ATOM 788 N6 A A 7 1.090 8.438 3.185 1.00 0.39 N ATOM 789 N1 A A 7 1.752 7.926 1.033 1.00 0.35 N ATOM 790 C2 A A 7 1.611 7.170 -0.063 1.00 0.32 C ATOM 791 N3 A A 7 0.767 6.167 -0.292 1.00 0.27 N ATOM 792 C4 A A 7 -0.015 5.953 0.781 1.00 0.25 C ATOM 0 H5' A A 7 -4.393 1.613 0.991 1.00 0.29 H new ATOM 0 H5'' A A 7 -3.361 0.197 0.955 1.00 0.29 H new ATOM 0 H4' A A 7 -2.742 1.562 -0.802 1.00 0.23 H new ATOM 0 H3' A A 7 -0.688 1.649 1.442 1.00 0.25 H new ATOM 0 H2' A A 7 0.651 3.177 0.106 1.00 0.24 H new ATOM 0 HO2' A A 7 0.288 3.538 -2.072 1.00 0.25 H new ATOM 0 H1' A A 7 -1.525 4.555 -1.037 1.00 0.21 H new ATOM 0 H8 A A 7 -2.312 4.568 2.577 1.00 0.29 H new ATOM 0 H61 A A 7 1.791 9.178 3.207 1.00 0.39 H new ATOM 0 H62 A A 7 0.496 8.273 3.998 1.00 0.39 H new ATOM 0 H2 A A 7 2.278 7.408 -0.878 1.00 0.32 H new ATOM 804 P A A 8 0.416 -0.484 0.583 1.00 0.37 P ATOM 805 OP1 A A 8 0.128 -1.860 0.109 1.00 0.47 O ATOM 806 OP2 A A 8 0.319 -0.171 2.032 1.00 0.44 O ATOM 807 O5' A A 8 1.872 -0.079 0.081 1.00 0.38 O ATOM 808 C5' A A 8 2.074 0.453 -1.241 1.00 0.39 C ATOM 809 C4' A A 8 3.057 1.595 -1.197 1.00 0.43 C ATOM 810 O4' A A 8 2.422 2.724 -0.548 1.00 0.37 O ATOM 811 C3' A A 8 4.278 1.325 -0.337 1.00 0.53 C ATOM 812 O3' A A 8 5.307 0.646 -1.063 1.00 0.66 O ATOM 813 C2' A A 8 4.723 2.725 0.070 1.00 0.50 C ATOM 814 O2' A A 8 5.533 3.349 -0.907 1.00 0.58 O ATOM 815 C1' A A 8 3.388 3.464 0.177 1.00 0.38 C ATOM 816 N9 A A 8 2.923 3.573 1.558 1.00 0.36 N ATOM 817 C8 A A 8 1.930 2.845 2.162 1.00 0.42 C ATOM 818 N7 A A 8 1.724 3.173 3.414 1.00 0.47 N ATOM 819 C5 A A 8 2.648 4.181 3.653 1.00 0.41 C ATOM 820 C6 A A 8 2.942 4.945 4.795 1.00 0.44 C ATOM 821 N6 A A 8 2.303 4.810 5.959 1.00 0.54 N ATOM 822 N1 A A 8 3.928 5.863 4.701 1.00 0.40 N ATOM 823 C2 A A 8 4.567 5.997 3.533 1.00 0.36 C ATOM 824 N3 A A 8 4.381 5.340 2.389 1.00 0.35 N ATOM 825 C4 A A 8 3.395 4.436 2.518 1.00 0.35 C ATOM 0 H5' A A 8 1.125 0.796 -1.652 1.00 0.39 H new ATOM 0 H5'' A A 8 2.444 -0.330 -1.903 1.00 0.39 H new ATOM 0 H4' A A 8 3.357 1.759 -2.232 1.00 0.43 H new ATOM 0 H3' A A 8 4.061 0.673 0.509 1.00 0.53 H new ATOM 0 H2' A A 8 5.328 2.719 0.977 1.00 0.50 H new ATOM 0 HO2' A A 8 5.147 3.200 -1.795 1.00 0.58 H new ATOM 0 H1' A A 8 3.526 4.471 -0.216 1.00 0.38 H new ATOM 0 H8 A A 8 1.370 2.074 1.654 1.00 0.42 H new ATOM 0 H61 A A 8 2.562 5.395 6.754 1.00 0.54 H new ATOM 0 H62 A A 8 1.556 4.122 6.054 1.00 0.54 H new ATOM 0 H2 A A 8 5.345 6.745 3.515 1.00 0.36 H new ATOM 837 P A A 9 5.305 0.662 -2.672 1.00 1.47 P ATOM 838 OP1 A A 9 5.290 2.074 -3.122 1.00 2.35 O ATOM 839 OP2 A A 9 4.238 -0.264 -3.127 1.00 2.33 O ATOM 840 O5' A A 9 6.711 0.025 -3.062 1.00 1.08 O ATOM 841 C5' A A 9 7.867 0.232 -2.232 1.00 1.04 C ATOM 842 C4' A A 9 8.559 1.515 -2.615 1.00 1.09 C ATOM 843 O4' A A 9 7.977 2.001 -3.849 1.00 1.26 O ATOM 844 C3' A A 9 8.332 2.655 -1.644 1.00 0.99 C ATOM 845 O3' A A 9 9.244 2.608 -0.555 1.00 1.17 O ATOM 846 C2' A A 9 8.559 3.884 -2.513 1.00 1.26 C ATOM 847 O2' A A 9 9.928 4.218 -2.637 1.00 1.57 O ATOM 848 C1' A A 9 8.011 3.417 -3.865 1.00 1.29 C ATOM 849 N9 A A 9 6.646 3.887 -4.099 1.00 0.00 N ATOM 850 C8 A A 9 5.888 4.688 -3.281 1.00 0.00 C ATOM 851 N7 A A 9 4.691 4.943 -3.753 1.00 0.00 N ATOM 852 C5 A A 9 4.657 4.261 -4.961 1.00 0.00 C ATOM 853 C6 A A 9 3.659 4.122 -5.939 1.00 0.00 C ATOM 854 N6 A A 9 2.456 4.694 -5.858 1.00 0.00 N ATOM 855 N1 A A 9 3.942 3.363 -7.020 1.00 0.00 N ATOM 856 C2 A A 9 5.148 2.788 -7.100 1.00 0.00 C ATOM 857 N3 A A 9 6.169 2.845 -6.248 1.00 0.00 N ATOM 858 C4 A A 9 5.855 3.607 -5.187 1.00 0.00 C ATOM 0 H5' A A 9 8.555 -0.607 -2.338 1.00 1.04 H new ATOM 0 H5'' A A 9 7.569 0.269 -1.184 1.00 1.04 H new ATOM 0 H4' A A 9 9.619 1.266 -2.660 1.00 1.09 H new ATOM 0 H3' A A 9 7.347 2.632 -1.177 1.00 0.99 H new ATOM 0 H2' A A 9 8.088 4.779 -2.105 1.00 1.26 H new ATOM 0 HO2' A A 9 10.437 3.781 -1.923 1.00 1.57 H new ATOM 0 H1' A A 9 8.653 3.817 -4.650 1.00 1.29 H new ATOM 0 H8 A A 9 6.244 5.072 -2.337 1.00 0.00 H new ATOM 0 H61 A A 9 1.774 4.554 -6.603 1.00 0.00 H new ATOM 0 H62 A A 9 2.219 5.271 -5.051 1.00 0.00 H new ATOM 0 H2 A A 9 5.317 2.191 -7.984 1.00 0.00 H new ATOM 870 P A A 10 8.734 3.005 0.916 1.00 1.33 P ATOM 871 OP1 A A 10 7.479 2.245 1.176 1.00 2.10 O ATOM 872 OP2 A A 10 8.730 4.486 1.024 1.00 2.11 O ATOM 873 O5' A A 10 9.854 2.437 1.893 1.00 0.79 O ATOM 874 C5' A A 10 9.536 2.143 3.261 1.00 0.59 C ATOM 875 C4' A A 10 9.569 3.406 4.087 1.00 0.54 C ATOM 876 O4' A A 10 8.282 4.057 3.968 1.00 0.50 O ATOM 877 C3' A A 10 9.750 3.169 5.572 1.00 0.50 C ATOM 878 O3' A A 10 11.136 3.130 5.904 1.00 0.61 O ATOM 879 C2' A A 10 9.040 4.356 6.211 1.00 0.50 C ATOM 880 O2' A A 10 9.878 5.490 6.340 1.00 0.61 O ATOM 881 C1' A A 10 7.921 4.644 5.205 1.00 0.48 C ATOM 882 N9 A A 10 6.655 4.032 5.593 1.00 0.45 N ATOM 883 C8 A A 10 5.963 3.087 4.884 1.00 0.45 C ATOM 884 N7 A A 10 4.854 2.698 5.464 1.00 0.51 N ATOM 885 C5 A A 10 4.816 3.439 6.638 1.00 0.54 C ATOM 886 C6 A A 10 3.895 3.485 7.699 1.00 0.64 C ATOM 887 N6 A A 10 2.785 2.745 7.749 1.00 0.72 N ATOM 888 N1 A A 10 4.157 4.330 8.721 1.00 0.69 N ATOM 889 C2 A A 10 5.271 5.070 8.670 1.00 0.66 C ATOM 890 N3 A A 10 6.212 5.116 7.729 1.00 0.58 N ATOM 891 C4 A A 10 5.921 4.265 6.729 1.00 0.51 C ATOM 0 H5' A A 10 10.248 1.420 3.660 1.00 0.59 H new ATOM 0 H5'' A A 10 8.549 1.685 3.322 1.00 0.59 H new ATOM 0 H4' A A 10 10.413 3.985 3.713 1.00 0.54 H new ATOM 0 H3' A A 10 9.345 2.217 5.916 1.00 0.50 H new ATOM 0 H2' A A 10 8.703 4.140 7.225 1.00 0.50 H new ATOM 0 HO2' A A 10 10.816 5.205 6.343 1.00 0.61 H new ATOM 0 H1' A A 10 7.797 5.726 5.153 1.00 0.48 H new ATOM 0 H8 A A 10 6.300 2.698 3.934 1.00 0.45 H new ATOM 0 H61 A A 10 2.155 2.824 8.547 1.00 0.72 H new ATOM 0 H62 A A 10 2.567 2.101 6.989 1.00 0.72 H new ATOM 0 H2 A A 10 5.430 5.725 9.514 1.00 0.66 H new ATOM 903 P A A 11 11.631 2.264 7.163 1.00 0.62 P ATOM 904 OP1 A A 11 12.766 2.977 7.803 1.00 0.77 O ATOM 905 OP2 A A 11 11.813 0.865 6.697 1.00 0.65 O ATOM 906 O5' A A 11 10.391 2.295 8.164 1.00 0.58 O ATOM 907 C5' A A 11 10.293 3.302 9.189 1.00 0.56 C ATOM 908 C4' A A 11 8.945 3.226 9.866 1.00 0.49 C ATOM 909 O4' A A 11 7.933 3.041 8.846 1.00 0.46 O ATOM 910 C3' A A 11 8.775 2.039 10.798 1.00 0.47 C ATOM 911 O3' A A 11 9.239 2.387 12.107 1.00 0.51 O ATOM 912 C2' A A 11 7.271 1.789 10.761 1.00 0.43 C ATOM 913 O2' A A 11 6.558 2.590 11.685 1.00 0.47 O ATOM 914 C1' A A 11 6.898 2.212 9.340 1.00 0.42 C ATOM 915 N9 A A 11 6.757 1.093 8.409 1.00 0.41 N ATOM 916 C8 A A 11 7.682 0.634 7.502 1.00 0.46 C ATOM 917 N7 A A 11 7.255 -0.372 6.777 1.00 0.47 N ATOM 918 C5 A A 11 5.965 -0.594 7.239 1.00 0.42 C ATOM 919 C6 A A 11 4.973 -1.524 6.877 1.00 0.43 C ATOM 920 N6 A A 11 5.124 -2.452 5.924 1.00 0.49 N ATOM 921 N1 A A 11 3.799 -1.473 7.539 1.00 0.40 N ATOM 922 C2 A A 11 3.637 -0.552 8.495 1.00 0.37 C ATOM 923 N3 A A 11 4.489 0.374 8.924 1.00 0.37 N ATOM 924 C4 A A 11 5.648 0.299 8.248 1.00 0.39 C ATOM 0 H5' A A 11 10.434 4.291 8.753 1.00 0.56 H new ATOM 0 H5'' A A 11 11.086 3.162 9.924 1.00 0.56 H new ATOM 0 H4' A A 11 8.857 4.146 10.443 1.00 0.49 H new ATOM 0 H3' A A 11 9.342 1.152 10.513 1.00 0.47 H new ATOM 0 H2' A A 11 7.027 0.759 11.019 1.00 0.43 H new ATOM 0 HO2' A A 11 6.509 2.129 12.548 1.00 0.47 H new ATOM 0 H1' A A 11 5.932 2.713 9.402 1.00 0.42 H new ATOM 0 H8 A A 11 8.668 1.062 7.396 1.00 0.46 H new ATOM 0 H61 A A 11 4.361 -3.095 5.713 1.00 0.49 H new ATOM 0 H62 A A 11 6.002 -2.516 5.409 1.00 0.49 H new ATOM 0 H2 A A 11 2.677 -0.562 8.989 1.00 0.37 H new ATOM 936 P G A 12 8.648 1.644 13.410 1.00 0.56 P ATOM 937 OP1 G A 12 7.203 1.403 13.189 1.00 0.68 O ATOM 938 OP2 G A 12 9.079 2.419 14.600 1.00 0.65 O ATOM 939 O5' G A 12 9.415 0.246 13.456 1.00 0.50 O ATOM 940 C5' G A 12 8.935 -0.914 12.739 1.00 0.47 C ATOM 941 C4' G A 12 7.432 -1.021 12.847 1.00 0.42 C ATOM 942 O4' G A 12 6.879 -0.765 11.533 1.00 0.40 O ATOM 943 C3' G A 12 6.910 -2.400 13.196 1.00 0.39 C ATOM 944 O3' G A 12 6.911 -2.605 14.614 1.00 0.43 O ATOM 945 C2' G A 12 5.506 -2.393 12.595 1.00 0.35 C ATOM 946 O2' G A 12 4.524 -1.817 13.434 1.00 0.37 O ATOM 947 C1' G A 12 5.698 -1.521 11.352 1.00 0.35 C ATOM 948 N9 G A 12 5.868 -2.335 10.154 1.00 0.33 N ATOM 949 C8 G A 12 6.955 -2.355 9.315 1.00 0.36 C ATOM 950 N7 G A 12 6.829 -3.209 8.337 1.00 0.36 N ATOM 951 C5 G A 12 5.583 -3.786 8.541 1.00 0.33 C ATOM 952 C6 G A 12 4.900 -4.780 7.800 1.00 0.36 C ATOM 953 O6 G A 12 5.273 -5.371 6.783 1.00 0.40 O ATOM 954 N1 G A 12 3.655 -5.071 8.352 1.00 0.36 N ATOM 955 C2 G A 12 3.141 -4.481 9.480 1.00 0.34 C ATOM 956 N2 G A 12 1.923 -4.901 9.860 1.00 0.37 N ATOM 957 N3 G A 12 3.768 -3.552 10.183 1.00 0.31 N ATOM 958 C4 G A 12 4.976 -3.254 9.658 1.00 0.31 C ATOM 0 H5' G A 12 9.399 -1.815 13.141 1.00 0.47 H new ATOM 0 H5'' G A 12 9.226 -0.846 11.691 1.00 0.47 H new ATOM 0 H4' G A 12 7.149 -0.323 13.635 1.00 0.42 H new ATOM 0 H3' G A 12 7.518 -3.217 12.808 1.00 0.39 H new ATOM 0 H2' G A 12 5.142 -3.404 12.413 1.00 0.35 H new ATOM 0 HO2' G A 12 4.858 -0.969 13.794 1.00 0.37 H new ATOM 0 H1' G A 12 4.818 -0.890 11.226 1.00 0.35 H new ATOM 0 H8 G A 12 7.824 -1.729 9.451 1.00 0.36 H new ATOM 0 H1 G A 12 3.083 -5.774 7.884 1.00 0.36 H new ATOM 0 H21 G A 12 1.483 -4.504 10.690 1.00 0.37 H new ATOM 0 H22 G A 12 1.439 -5.617 9.319 1.00 0.37 H new ATOM 970 P G A 13 5.878 -1.806 15.553 1.00 0.51 P ATOM 971 OP1 G A 13 5.433 -0.577 14.848 1.00 0.57 O ATOM 972 OP2 G A 13 6.506 -1.692 16.894 1.00 0.59 O ATOM 973 O5' G A 13 4.644 -2.805 15.684 1.00 0.57 O ATOM 974 C5' G A 13 4.863 -4.224 15.823 1.00 0.62 C ATOM 975 C4' G A 13 3.626 -4.991 15.437 1.00 0.60 C ATOM 976 O4' G A 13 3.386 -4.788 14.027 1.00 0.59 O ATOM 977 C3' G A 13 3.753 -6.494 15.597 1.00 0.59 C ATOM 978 O3' G A 13 3.377 -6.890 16.913 1.00 0.66 O ATOM 979 C2' G A 13 2.786 -7.036 14.551 1.00 0.57 C ATOM 980 O2' G A 13 1.459 -7.135 15.035 1.00 0.63 O ATOM 981 C1' G A 13 2.864 -5.971 13.456 1.00 0.54 C ATOM 982 N9 G A 13 3.758 -6.350 12.371 1.00 0.50 N ATOM 983 C8 G A 13 5.019 -5.857 12.147 1.00 0.54 C ATOM 984 N7 G A 13 5.588 -6.366 11.089 1.00 0.56 N ATOM 985 C5 G A 13 4.646 -7.253 10.588 1.00 0.50 C ATOM 986 C6 G A 13 4.699 -8.100 9.455 1.00 0.53 C ATOM 987 O6 G A 13 5.620 -8.235 8.642 1.00 0.60 O ATOM 988 N1 G A 13 3.529 -8.838 9.308 1.00 0.51 N ATOM 989 C2 G A 13 2.447 -8.767 10.151 1.00 0.48 C ATOM 990 N2 G A 13 1.408 -9.559 9.842 1.00 0.52 N ATOM 991 N3 G A 13 2.384 -7.981 11.213 1.00 0.47 N ATOM 992 C4 G A 13 3.512 -7.257 11.369 1.00 0.47 C ATOM 0 H5' G A 13 5.135 -4.456 16.853 1.00 0.62 H new ATOM 0 H5'' G A 13 5.699 -4.532 15.195 1.00 0.62 H new ATOM 0 H4' G A 13 2.836 -4.626 16.094 1.00 0.60 H new ATOM 0 H3' G A 13 4.769 -6.864 15.461 1.00 0.59 H new ATOM 0 H2' G A 13 3.045 -8.045 14.230 1.00 0.57 H new ATOM 0 HO2' G A 13 0.878 -7.486 14.328 1.00 0.63 H new ATOM 0 H1' G A 13 1.860 -5.842 13.052 1.00 0.54 H new ATOM 0 H8 G A 13 5.492 -5.123 12.782 1.00 0.54 H new ATOM 0 H1 G A 13 3.470 -9.479 8.516 1.00 0.51 H new ATOM 0 H21 G A 13 0.572 -9.555 10.427 1.00 0.52 H new ATOM 0 H22 G A 13 1.454 -10.164 9.022 1.00 0.52 H new ATOM 1004 P G A 14 4.312 -7.902 17.739 1.00 0.74 P ATOM 1005 OP1 G A 14 4.336 -7.435 19.149 1.00 0.80 O ATOM 1006 OP2 G A 14 5.588 -8.068 16.999 1.00 0.90 O ATOM 1007 O5' G A 14 3.520 -9.283 17.690 1.00 0.68 O ATOM 1008 C5' G A 14 2.111 -9.318 17.399 1.00 0.70 C ATOM 1009 C4' G A 14 1.768 -10.570 16.626 1.00 0.68 C ATOM 1010 O4' G A 14 1.750 -10.254 15.212 1.00 0.67 O ATOM 1011 C3' G A 14 2.792 -11.682 16.721 1.00 0.67 C ATOM 1012 O3' G A 14 2.617 -12.424 17.936 1.00 0.77 O ATOM 1013 C2' G A 14 2.503 -12.498 15.463 1.00 0.67 C ATOM 1014 O2' G A 14 1.447 -13.428 15.605 1.00 0.80 O ATOM 1015 C1' G A 14 2.084 -11.413 14.469 1.00 0.61 C ATOM 1016 N9 G A 14 3.155 -11.074 13.539 1.00 0.50 N ATOM 1017 C8 G A 14 4.094 -10.077 13.664 1.00 0.50 C ATOM 1018 N7 G A 14 4.935 -10.039 12.666 1.00 0.47 N ATOM 1019 C5 G A 14 4.524 -11.070 11.831 1.00 0.41 C ATOM 1020 C6 G A 14 5.053 -11.518 10.590 1.00 0.40 C ATOM 1021 O6 G A 14 6.023 -11.076 9.962 1.00 0.45 O ATOM 1022 N1 G A 14 4.331 -12.598 10.082 1.00 0.41 N ATOM 1023 C2 G A 14 3.240 -13.167 10.697 1.00 0.46 C ATOM 1024 N2 G A 14 2.672 -14.198 10.059 1.00 0.55 N ATOM 1025 N3 G A 14 2.741 -12.758 11.850 1.00 0.49 N ATOM 1026 C4 G A 14 3.427 -11.715 12.357 1.00 0.44 C ATOM 0 H5' G A 14 1.830 -8.437 16.822 1.00 0.70 H new ATOM 0 H5'' G A 14 1.540 -9.287 18.327 1.00 0.70 H new ATOM 0 H4' G A 14 0.822 -10.902 17.053 1.00 0.68 H new ATOM 0 H3' G A 14 3.829 -11.349 16.762 1.00 0.67 H new ATOM 0 H2' G A 14 3.363 -13.104 15.179 1.00 0.67 H new ATOM 0 HO2' G A 14 0.675 -12.986 16.016 1.00 0.80 H new ATOM 0 H1' G A 14 1.242 -11.785 13.885 1.00 0.61 H new ATOM 0 H8 G A 14 4.132 -9.396 14.501 1.00 0.50 H new ATOM 0 H1 G A 14 4.633 -12.994 9.192 1.00 0.41 H new ATOM 0 H21 G A 14 1.859 -14.663 10.464 1.00 0.55 H new ATOM 0 H22 G A 14 3.052 -14.518 9.168 1.00 0.55 H new ATOM 1038 P C A 15 1.413 -13.483 18.078 1.00 0.87 P ATOM 1039 OP1 C A 15 0.255 -12.969 17.305 1.00 0.91 O ATOM 1040 OP2 C A 15 1.248 -13.801 19.519 1.00 1.02 O ATOM 1041 O5' C A 15 1.984 -14.782 17.354 1.00 0.85 O ATOM 1042 C5' C A 15 3.391 -14.895 17.073 1.00 0.94 C ATOM 1043 C4' C A 15 3.628 -15.871 15.941 1.00 0.97 C ATOM 1044 O4' C A 15 3.656 -15.144 14.691 1.00 0.84 O ATOM 1045 C3' C A 15 4.982 -16.556 15.973 1.00 1.09 C ATOM 1046 O3' C A 15 4.954 -17.705 16.828 1.00 1.31 O ATOM 1047 C2' C A 15 5.184 -16.964 14.517 1.00 1.09 C ATOM 1048 O2' C A 15 4.607 -18.220 14.213 1.00 1.30 O ATOM 1049 C1' C A 15 4.454 -15.852 13.760 1.00 0.89 C ATOM 1050 N1 C A 15 5.391 -14.907 13.139 1.00 0.75 N ATOM 1051 C2 C A 15 6.065 -15.296 11.977 1.00 0.77 C ATOM 1052 O2 C A 15 5.844 -16.416 11.497 1.00 0.89 O ATOM 1053 N3 C A 15 6.939 -14.444 11.408 1.00 0.70 N ATOM 1054 C4 C A 15 7.153 -13.248 11.951 1.00 0.66 C ATOM 1055 N4 C A 15 8.025 -12.450 11.350 1.00 0.71 N ATOM 1056 C5 C A 15 6.480 -12.823 13.132 1.00 0.64 C ATOM 1057 C6 C A 15 5.614 -13.676 13.690 1.00 0.66 C ATOM 0 H5' C A 15 3.921 -15.228 17.965 1.00 0.94 H new ATOM 0 H5'' C A 15 3.795 -13.918 16.809 1.00 0.94 H new ATOM 0 H4' C A 15 2.830 -16.607 16.042 1.00 0.97 H new ATOM 0 H3' C A 15 5.780 -15.923 16.361 1.00 1.09 H new ATOM 0 H2' C A 15 6.238 -17.074 14.263 1.00 1.09 H new ATOM 0 HO2' C A 15 4.397 -18.694 15.045 1.00 1.30 H new ATOM 0 HO3' C A 15 5.836 -18.131 16.832 1.00 1.31 H new ATOM 0 H1' C A 15 3.856 -16.304 12.969 1.00 0.89 H new ATOM 0 H41 C A 15 8.218 -11.525 11.734 1.00 0.71 H new ATOM 0 H42 C A 15 8.503 -12.761 10.504 1.00 0.71 H new ATOM 0 H5 C A 15 6.662 -11.849 13.561 1.00 0.64 H new ATOM 0 H6 C A 15 5.085 -13.389 14.586 1.00 0.66 H new TER 1069 C A 15