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 Set 1.1: B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: B 17 GLN : amide:sc= -2.49 K(o=-2.5,f=-1.3) USER MOD Single : A 1 G O2' : rot -18:sc= 0.18 USER MOD Single : A 2 C O2' : rot -93:sc= -0.406 USER MOD Single : A 3 C O2' : rot -26:sc= 0.16 USER MOD Single : A 4 C O2' : rot 53:sc= -6.05! USER MOD Single : A 5 U O2' : rot -25:sc= -0.336 USER MOD Single : A 6 G O2' : rot -178:sc= 0.22 USER MOD Single : A 7 A O2' : rot -117:sc= -2.94! USER MOD Single : A 8 A O2' : rot 30:sc= -2.2! USER MOD Single : A 9 A O2' : rot -16:sc= 0.108 USER MOD Single : A 10 A O2' : rot -25:sc= 0.138 USER MOD Single : A 11 A O2' : rot -85:sc= -0.517! USER MOD Single : A 12 G O2' : rot 50:sc= -5.1! USER MOD Single : A 13 G O2' : rot 58:sc= -7.91! USER MOD Single : A 14 G O2' : rot -160:sc= -2.79! USER MOD Single : A 15 C O2' : rot -24:sc= 0.17 USER MOD Single : A 15 C O3' : rot 180:sc= 0.165 USER MOD Single : B 4 GLN : amide:sc= -0.925 X(o=-0.92,f=-1.4) USER MOD Single : B 5 THR OG1 : rot 180:sc= 0 USER MOD Single : B 15 GLN : amide:sc= -7.15! C(o=-7.2!,f=-9.9!) USER MOD Single : B 19 LYS NZ :NH3+ 139:sc= -0.726 (180deg=-2.83!) USER MOD Single : B 22 ASN : amide:sc= -5.99! C(o=-6!,f=-5.7!) USER MOD Single : B 29 SER OG : rot 180:sc= 0 USER MOD Single : B 31 LYS NZ :NH3+ 174:sc=-7.72e-05 (180deg=-0.0469) USER MOD Single : B 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP B 2 9.124 -12.672 -2.507 1.00 0.76 N ATOM 2 CA ASP B 2 8.826 -12.199 -1.122 1.00 0.88 C ATOM 3 C ASP B 2 7.347 -12.400 -0.804 1.00 0.68 C ATOM 4 O ASP B 2 6.656 -13.164 -1.450 1.00 0.66 O ATOM 5 CB ASP B 2 9.170 -10.706 -1.112 1.00 1.25 C ATOM 6 CG ASP B 2 10.566 -10.486 -1.704 1.00 1.88 C ATOM 7 OD1 ASP B 2 10.672 -10.443 -2.918 1.00 2.35 O ATOM 8 OD2 ASP B 2 11.502 -10.366 -0.931 1.00 2.37 O ATOM 0 HA ASP B 2 9.397 -12.750 -0.375 1.00 0.88 H new ATOM 0 HB2 ASP B 2 8.430 -10.150 -1.688 1.00 1.25 H new ATOM 0 HB3 ASP B 2 9.134 -10.323 -0.092 1.00 1.25 H new ATOM 15 N ALA B 3 6.861 -11.716 0.190 1.00 0.63 N ATOM 16 CA ALA B 3 5.423 -11.852 0.569 1.00 0.58 C ATOM 17 C ALA B 3 4.757 -10.481 0.602 1.00 0.63 C ATOM 18 O ALA B 3 3.647 -10.307 0.137 1.00 0.61 O ATOM 19 CB ALA B 3 5.435 -12.477 1.963 1.00 0.75 C ATOM 0 H ALA B 3 7.398 -11.064 0.762 1.00 0.63 H new ATOM 0 HA ALA B 3 4.864 -12.460 -0.143 1.00 0.58 H new ATOM 0 HB1 ALA B 3 4.411 -12.609 2.311 1.00 0.75 H new ATOM 0 HB2 ALA B 3 5.932 -13.446 1.923 1.00 0.75 H new ATOM 0 HB3 ALA B 3 5.971 -11.822 2.651 1.00 0.75 H new ATOM 25 N GLN B 4 5.428 -9.505 1.142 1.00 0.75 N ATOM 26 CA GLN B 4 4.836 -8.140 1.200 1.00 0.89 C ATOM 27 C GLN B 4 4.783 -7.564 -0.200 1.00 0.79 C ATOM 28 O GLN B 4 3.732 -7.199 -0.690 1.00 0.81 O ATOM 29 CB GLN B 4 5.783 -7.329 2.093 1.00 1.09 C ATOM 30 CG GLN B 4 4.991 -6.331 2.942 1.00 1.29 C ATOM 31 CD GLN B 4 5.508 -4.911 2.689 1.00 0.85 C ATOM 32 OE1 GLN B 4 6.051 -4.284 3.577 1.00 1.14 O ATOM 33 NE2 GLN B 4 5.360 -4.375 1.510 1.00 0.94 N ATOM 0 H GLN B 4 6.361 -9.592 1.546 1.00 0.75 H new ATOM 0 HA GLN B 4 3.820 -8.132 1.595 1.00 0.89 H new ATOM 0 HB2 GLN B 4 6.347 -8.000 2.741 1.00 1.09 H new ATOM 0 HB3 GLN B 4 6.508 -6.797 1.477 1.00 1.09 H new ATOM 0 HG2 GLN B 4 3.931 -6.391 2.696 1.00 1.29 H new ATOM 0 HG3 GLN B 4 5.088 -6.581 3.999 1.00 1.29 H new ATOM 0 HE21 GLN B 4 4.904 -4.901 0.764 1.00 0.94 H new ATOM 0 HE22 GLN B 4 5.700 -3.430 1.333 1.00 0.94 H new ATOM 42 N THR B 5 5.901 -7.509 -0.866 1.00 0.76 N ATOM 43 CA THR B 5 5.894 -6.993 -2.259 1.00 0.79 C ATOM 44 C THR B 5 4.841 -7.779 -3.040 1.00 0.59 C ATOM 45 O THR B 5 4.206 -7.274 -3.945 1.00 0.57 O ATOM 46 CB THR B 5 7.295 -7.268 -2.803 1.00 0.94 C ATOM 47 OG1 THR B 5 8.245 -6.507 -2.070 1.00 1.26 O ATOM 48 CG2 THR B 5 7.347 -6.871 -4.276 1.00 0.94 C ATOM 0 H THR B 5 6.812 -7.797 -0.509 1.00 0.76 H new ATOM 0 HA THR B 5 5.657 -5.932 -2.331 1.00 0.79 H new ATOM 0 HB THR B 5 7.528 -8.328 -2.702 1.00 0.94 H new ATOM 0 HG1 THR B 5 9.144 -6.684 -2.417 1.00 1.26 H new ATOM 0 HG21 THR B 5 8.345 -7.065 -4.670 1.00 0.94 H new ATOM 0 HG22 THR B 5 6.616 -7.454 -4.836 1.00 0.94 H new ATOM 0 HG23 THR B 5 7.118 -5.810 -4.375 1.00 0.94 H new ATOM 56 N ARG B 6 4.638 -9.012 -2.655 1.00 0.48 N ATOM 57 CA ARG B 6 3.610 -9.846 -3.325 1.00 0.46 C ATOM 58 C ARG B 6 2.236 -9.382 -2.898 1.00 0.43 C ATOM 59 O ARG B 6 1.350 -9.193 -3.710 1.00 0.45 O ATOM 60 CB ARG B 6 3.820 -11.262 -2.804 1.00 0.56 C ATOM 61 CG ARG B 6 4.321 -12.161 -3.935 1.00 0.78 C ATOM 62 CD ARG B 6 3.736 -13.565 -3.770 1.00 1.03 C ATOM 63 NE ARG B 6 4.715 -14.293 -2.911 1.00 0.88 N ATOM 64 CZ ARG B 6 4.672 -15.599 -2.809 1.00 0.73 C ATOM 65 NH1 ARG B 6 3.771 -16.292 -3.459 1.00 1.43 N ATOM 66 NH2 ARG B 6 5.538 -16.215 -2.053 1.00 1.26 N ATOM 0 H ARG B 6 5.145 -9.475 -1.901 1.00 0.48 H new ATOM 0 HA ARG B 6 3.689 -9.785 -4.410 1.00 0.46 H new ATOM 0 HB2 ARG B 6 4.541 -11.255 -1.986 1.00 0.56 H new ATOM 0 HB3 ARG B 6 2.886 -11.654 -2.402 1.00 0.56 H new ATOM 0 HG2 ARG B 6 4.030 -11.746 -4.900 1.00 0.78 H new ATOM 0 HG3 ARG B 6 5.410 -12.206 -3.923 1.00 0.78 H new ATOM 0 HD2 ARG B 6 2.751 -13.530 -3.304 1.00 1.03 H new ATOM 0 HD3 ARG B 6 3.614 -14.058 -4.735 1.00 1.03 H new ATOM 0 HE ARG B 6 5.424 -13.769 -2.398 1.00 0.88 H new ATOM 0 HH11 ARG B 6 3.092 -15.816 -4.053 1.00 1.43 H new ATOM 0 HH12 ARG B 6 3.748 -17.308 -3.371 1.00 1.43 H new ATOM 0 HH21 ARG B 6 6.243 -15.681 -1.546 1.00 1.26 H new ATOM 0 HH22 ARG B 6 5.510 -17.231 -1.969 1.00 1.26 H new ATOM 80 N ARG B 7 2.044 -9.205 -1.619 1.00 0.61 N ATOM 81 CA ARG B 7 0.711 -8.763 -1.155 1.00 0.80 C ATOM 82 C ARG B 7 0.416 -7.389 -1.751 1.00 0.65 C ATOM 83 O ARG B 7 -0.714 -7.045 -2.032 1.00 0.56 O ATOM 84 CB ARG B 7 0.814 -8.694 0.368 1.00 1.16 C ATOM 85 CG ARG B 7 -0.410 -7.969 0.940 1.00 1.10 C ATOM 86 CD ARG B 7 -0.125 -7.554 2.380 1.00 0.92 C ATOM 87 NE ARG B 7 -0.991 -6.366 2.612 1.00 0.41 N ATOM 88 CZ ARG B 7 -2.282 -6.508 2.789 1.00 0.93 C ATOM 89 NH1 ARG B 7 -2.835 -7.694 2.765 1.00 1.08 N ATOM 90 NH2 ARG B 7 -3.023 -5.455 2.993 1.00 1.61 N ATOM 0 H ARG B 7 2.744 -9.346 -0.890 1.00 0.61 H new ATOM 0 HA ARG B 7 -0.093 -9.433 -1.458 1.00 0.80 H new ATOM 0 HB2 ARG B 7 0.879 -9.700 0.783 1.00 1.16 H new ATOM 0 HB3 ARG B 7 1.726 -8.171 0.656 1.00 1.16 H new ATOM 0 HG2 ARG B 7 -0.642 -7.092 0.336 1.00 1.10 H new ATOM 0 HG3 ARG B 7 -1.283 -8.621 0.904 1.00 1.10 H new ATOM 0 HD2 ARG B 7 -0.361 -8.358 3.077 1.00 0.92 H new ATOM 0 HD3 ARG B 7 0.928 -7.309 2.520 1.00 0.92 H new ATOM 0 HE ARG B 7 -0.577 -5.434 2.633 1.00 0.41 H new ATOM 0 HH11 ARG B 7 -2.260 -8.522 2.607 1.00 1.08 H new ATOM 0 HH12 ARG B 7 -3.841 -7.791 2.904 1.00 1.08 H new ATOM 0 HH21 ARG B 7 -2.597 -4.528 3.014 1.00 1.61 H new ATOM 0 HH22 ARG B 7 -4.028 -5.558 3.132 1.00 1.61 H new ATOM 104 N ARG B 8 1.443 -6.611 -1.955 1.00 0.68 N ATOM 105 CA ARG B 8 1.261 -5.254 -2.543 1.00 0.67 C ATOM 106 C ARG B 8 0.549 -5.371 -3.874 1.00 0.48 C ATOM 107 O ARG B 8 -0.340 -4.600 -4.179 1.00 0.50 O ATOM 108 CB ARG B 8 2.682 -4.726 -2.737 1.00 0.77 C ATOM 109 CG ARG B 8 2.760 -3.236 -2.392 1.00 0.73 C ATOM 110 CD ARG B 8 2.115 -2.955 -1.025 1.00 0.73 C ATOM 111 NE ARG B 8 2.552 -4.072 -0.136 1.00 0.85 N ATOM 112 CZ ARG B 8 1.890 -4.358 0.957 1.00 1.05 C ATOM 113 NH1 ARG B 8 0.834 -3.676 1.303 1.00 1.43 N ATOM 114 NH2 ARG B 8 2.294 -5.336 1.707 1.00 1.16 N ATOM 0 H ARG B 8 2.408 -6.859 -1.738 1.00 0.68 H new ATOM 0 HA ARG B 8 0.663 -4.594 -1.915 1.00 0.67 H new ATOM 0 HB2 ARG B 8 3.372 -5.287 -2.107 1.00 0.77 H new ATOM 0 HB3 ARG B 8 2.995 -4.882 -3.769 1.00 0.77 H new ATOM 0 HG2 ARG B 8 3.802 -2.915 -2.380 1.00 0.73 H new ATOM 0 HG3 ARG B 8 2.256 -2.653 -3.163 1.00 0.73 H new ATOM 0 HD2 ARG B 8 2.437 -1.991 -0.630 1.00 0.73 H new ATOM 0 HD3 ARG B 8 1.028 -2.920 -1.104 1.00 0.73 H new ATOM 0 HE ARG B 8 3.377 -4.619 -0.383 1.00 0.85 H new ATOM 0 HH11 ARG B 8 0.511 -2.905 0.719 1.00 1.43 H new ATOM 0 HH12 ARG B 8 0.331 -3.913 2.158 1.00 1.43 H new ATOM 0 HH21 ARG B 8 3.120 -5.874 1.443 1.00 1.16 H new ATOM 0 HH22 ARG B 8 1.786 -5.568 2.561 1.00 1.16 H new ATOM 128 N GLU B 9 0.894 -6.349 -4.655 1.00 0.38 N ATOM 129 CA GLU B 9 0.176 -6.519 -5.944 1.00 0.34 C ATOM 130 C GLU B 9 -1.295 -6.730 -5.615 1.00 0.31 C ATOM 131 O GLU B 9 -2.182 -6.344 -6.351 1.00 0.34 O ATOM 132 CB GLU B 9 0.788 -7.754 -6.610 1.00 0.40 C ATOM 133 CG GLU B 9 2.274 -7.504 -6.888 1.00 0.59 C ATOM 134 CD GLU B 9 2.589 -7.842 -8.346 1.00 1.24 C ATOM 135 OE1 GLU B 9 2.161 -7.096 -9.213 1.00 1.73 O ATOM 136 OE2 GLU B 9 3.251 -8.841 -8.573 1.00 1.88 O ATOM 0 H GLU B 9 1.630 -7.029 -4.463 1.00 0.38 H new ATOM 0 HA GLU B 9 0.262 -5.663 -6.613 1.00 0.34 H new ATOM 0 HB2 GLU B 9 0.670 -8.624 -5.964 1.00 0.40 H new ATOM 0 HB3 GLU B 9 0.265 -7.974 -7.541 1.00 0.40 H new ATOM 0 HG2 GLU B 9 2.522 -6.462 -6.684 1.00 0.59 H new ATOM 0 HG3 GLU B 9 2.886 -8.113 -6.223 1.00 0.59 H new ATOM 143 N ARG B 10 -1.544 -7.298 -4.469 1.00 0.31 N ATOM 144 CA ARG B 10 -2.938 -7.499 -4.015 1.00 0.38 C ATOM 145 C ARG B 10 -3.457 -6.186 -3.438 1.00 0.35 C ATOM 146 O ARG B 10 -4.643 -6.010 -3.237 1.00 0.40 O ATOM 147 CB ARG B 10 -2.849 -8.579 -2.932 1.00 0.46 C ATOM 148 CG ARG B 10 -3.603 -9.835 -3.382 1.00 0.73 C ATOM 149 CD ARG B 10 -2.706 -11.061 -3.197 1.00 0.67 C ATOM 150 NE ARG B 10 -3.205 -12.059 -4.187 1.00 1.55 N ATOM 151 CZ ARG B 10 -2.507 -13.132 -4.465 1.00 2.12 C ATOM 152 NH1 ARG B 10 -1.357 -13.352 -3.881 1.00 3.14 N ATOM 153 NH2 ARG B 10 -2.963 -13.993 -5.334 1.00 2.20 N ATOM 0 H ARG B 10 -0.829 -7.634 -3.823 1.00 0.31 H new ATOM 0 HA ARG B 10 -3.616 -7.799 -4.814 1.00 0.38 H new ATOM 0 HB2 ARG B 10 -1.805 -8.823 -2.734 1.00 0.46 H new ATOM 0 HB3 ARG B 10 -3.271 -8.206 -1.999 1.00 0.46 H new ATOM 0 HG2 ARG B 10 -4.519 -9.950 -2.802 1.00 0.73 H new ATOM 0 HG3 ARG B 10 -3.897 -9.741 -4.427 1.00 0.73 H new ATOM 0 HD2 ARG B 10 -1.660 -10.815 -3.378 1.00 0.67 H new ATOM 0 HD3 ARG B 10 -2.771 -11.448 -2.180 1.00 0.67 H new ATOM 0 HE ARG B 10 -4.099 -11.904 -4.652 1.00 1.55 H new ATOM 0 HH11 ARG B 10 -0.995 -12.684 -3.201 1.00 3.14 H new ATOM 0 HH12 ARG B 10 -0.823 -14.191 -4.106 1.00 3.14 H new ATOM 0 HH21 ARG B 10 -3.859 -13.829 -5.793 1.00 2.20 H new ATOM 0 HH22 ARG B 10 -2.423 -14.830 -5.554 1.00 2.20 H new ATOM 167 N ARG B 11 -2.575 -5.251 -3.189 1.00 0.29 N ATOM 168 CA ARG B 11 -3.018 -3.948 -2.650 1.00 0.29 C ATOM 169 C ARG B 11 -3.110 -2.926 -3.773 1.00 0.24 C ATOM 170 O ARG B 11 -3.424 -1.780 -3.538 1.00 0.25 O ATOM 171 CB ARG B 11 -1.947 -3.520 -1.652 1.00 0.32 C ATOM 172 CG ARG B 11 -1.879 -4.508 -0.480 1.00 0.41 C ATOM 173 CD ARG B 11 -3.243 -4.581 0.216 1.00 0.55 C ATOM 174 NE ARG B 11 -3.527 -6.041 0.335 1.00 1.59 N ATOM 175 CZ ARG B 11 -4.688 -6.463 0.771 1.00 2.18 C ATOM 176 NH1 ARG B 11 -5.624 -5.615 1.113 1.00 1.76 N ATOM 177 NH2 ARG B 11 -4.914 -7.745 0.866 1.00 3.24 N ATOM 0 H ARG B 11 -1.570 -5.342 -3.338 1.00 0.29 H new ATOM 0 HA ARG B 11 -4.000 -4.022 -2.182 1.00 0.29 H new ATOM 0 HB2 ARG B 11 -0.978 -3.469 -2.149 1.00 0.32 H new ATOM 0 HB3 ARG B 11 -2.167 -2.520 -1.280 1.00 0.32 H new ATOM 0 HG2 ARG B 11 -1.591 -5.495 -0.841 1.00 0.41 H new ATOM 0 HG3 ARG B 11 -1.114 -4.193 0.230 1.00 0.41 H new ATOM 0 HD2 ARG B 11 -3.215 -4.102 1.194 1.00 0.55 H new ATOM 0 HD3 ARG B 11 -4.013 -4.074 -0.366 1.00 0.55 H new ATOM 0 HE ARG B 11 -2.810 -6.718 0.074 1.00 1.59 H new ATOM 0 HH11 ARG B 11 -5.454 -4.612 1.042 1.00 1.76 H new ATOM 0 HH12 ARG B 11 -6.524 -5.957 1.451 1.00 1.76 H new ATOM 0 HH21 ARG B 11 -4.189 -8.412 0.602 1.00 3.24 H new ATOM 0 HH22 ARG B 11 -5.816 -8.080 1.205 1.00 3.24 H new ATOM 191 N ALA B 12 -2.860 -3.320 -4.998 1.00 0.24 N ATOM 192 CA ALA B 12 -2.971 -2.328 -6.111 1.00 0.28 C ATOM 193 C ALA B 12 -4.368 -1.715 -6.059 1.00 0.31 C ATOM 194 O ALA B 12 -4.582 -0.585 -6.451 1.00 0.33 O ATOM 195 CB ALA B 12 -2.769 -3.128 -7.398 1.00 0.34 C ATOM 0 H ALA B 12 -2.590 -4.265 -5.271 1.00 0.24 H new ATOM 0 HA ALA B 12 -2.242 -1.520 -6.046 1.00 0.28 H new ATOM 0 HB1 ALA B 12 -2.838 -2.460 -8.256 1.00 0.34 H new ATOM 0 HB2 ALA B 12 -1.786 -3.599 -7.383 1.00 0.34 H new ATOM 0 HB3 ALA B 12 -3.538 -3.896 -7.473 1.00 0.34 H new ATOM 201 N GLU B 13 -5.310 -2.452 -5.533 1.00 0.34 N ATOM 202 CA GLU B 13 -6.685 -1.915 -5.400 1.00 0.41 C ATOM 203 C GLU B 13 -6.705 -0.940 -4.227 1.00 0.38 C ATOM 204 O GLU B 13 -7.400 0.054 -4.247 1.00 0.42 O ATOM 205 CB GLU B 13 -7.577 -3.127 -5.121 1.00 0.48 C ATOM 206 CG GLU B 13 -7.515 -4.093 -6.306 1.00 0.52 C ATOM 207 CD GLU B 13 -8.884 -4.746 -6.502 1.00 0.77 C ATOM 208 OE1 GLU B 13 -9.459 -5.176 -5.516 1.00 1.15 O ATOM 209 OE2 GLU B 13 -9.335 -4.804 -7.634 1.00 1.18 O ATOM 0 H GLU B 13 -5.181 -3.404 -5.191 1.00 0.34 H new ATOM 0 HA GLU B 13 -7.027 -1.384 -6.288 1.00 0.41 H new ATOM 0 HB2 GLU B 13 -7.250 -3.630 -4.211 1.00 0.48 H new ATOM 0 HB3 GLU B 13 -8.605 -2.804 -4.955 1.00 0.48 H new ATOM 0 HG2 GLU B 13 -7.222 -3.559 -7.210 1.00 0.52 H new ATOM 0 HG3 GLU B 13 -6.758 -4.857 -6.128 1.00 0.52 H new ATOM 216 N LYS B 14 -5.910 -1.200 -3.218 1.00 0.33 N ATOM 217 CA LYS B 14 -5.848 -0.265 -2.065 1.00 0.33 C ATOM 218 C LYS B 14 -4.985 0.921 -2.485 1.00 0.28 C ATOM 219 O LYS B 14 -5.250 2.064 -2.164 1.00 0.30 O ATOM 220 CB LYS B 14 -5.172 -1.062 -0.940 1.00 0.31 C ATOM 221 CG LYS B 14 -5.941 -2.361 -0.675 1.00 0.38 C ATOM 222 CD LYS B 14 -7.392 -2.042 -0.301 1.00 1.23 C ATOM 223 CE LYS B 14 -8.298 -2.299 -1.507 1.00 1.37 C ATOM 224 NZ LYS B 14 -9.664 -2.462 -0.936 1.00 1.83 N ATOM 0 H LYS B 14 -5.305 -2.018 -3.148 1.00 0.33 H new ATOM 0 HA LYS B 14 -6.820 0.109 -1.744 1.00 0.33 H new ATOM 0 HB2 LYS B 14 -4.142 -1.290 -1.214 1.00 0.31 H new ATOM 0 HB3 LYS B 14 -5.134 -0.461 -0.031 1.00 0.31 H new ATOM 0 HG2 LYS B 14 -5.916 -2.996 -1.561 1.00 0.38 H new ATOM 0 HG3 LYS B 14 -5.463 -2.919 0.130 1.00 0.38 H new ATOM 0 HD2 LYS B 14 -7.706 -2.659 0.541 1.00 1.23 H new ATOM 0 HD3 LYS B 14 -7.477 -1.003 0.016 1.00 1.23 H new ATOM 0 HE2 LYS B 14 -8.262 -1.468 -2.212 1.00 1.37 H new ATOM 0 HE3 LYS B 14 -7.988 -3.192 -2.050 1.00 1.37 H new ATOM 0 HZ1 LYS B 14 -10.342 -2.642 -1.704 1.00 1.83 H new ATOM 0 HZ2 LYS B 14 -9.670 -3.264 -0.274 1.00 1.83 H new ATOM 0 HZ3 LYS B 14 -9.935 -1.594 -0.431 1.00 1.83 H new ATOM 238 N GLN B 15 -3.958 0.628 -3.229 1.00 0.25 N ATOM 239 CA GLN B 15 -3.038 1.676 -3.735 1.00 0.24 C ATOM 240 C GLN B 15 -3.752 2.524 -4.780 1.00 0.28 C ATOM 241 O GLN B 15 -3.760 3.731 -4.709 1.00 0.28 O ATOM 242 CB GLN B 15 -1.894 0.881 -4.375 1.00 0.24 C ATOM 243 CG GLN B 15 -0.646 0.991 -3.508 1.00 0.25 C ATOM 244 CD GLN B 15 0.229 -0.243 -3.734 1.00 0.30 C ATOM 245 OE1 GLN B 15 1.305 -0.148 -4.290 1.00 0.35 O ATOM 246 NE2 GLN B 15 -0.195 -1.406 -3.323 1.00 0.33 N ATOM 0 H GLN B 15 -3.713 -0.320 -3.514 1.00 0.25 H new ATOM 0 HA GLN B 15 -2.689 2.357 -2.959 1.00 0.24 H new ATOM 0 HB2 GLN B 15 -2.182 -0.165 -4.485 1.00 0.24 H new ATOM 0 HB3 GLN B 15 -1.689 1.262 -5.375 1.00 0.24 H new ATOM 0 HG2 GLN B 15 -0.092 1.896 -3.759 1.00 0.25 H new ATOM 0 HG3 GLN B 15 -0.924 1.068 -2.457 1.00 0.25 H new ATOM 0 HE21 GLN B 15 -1.099 -1.484 -2.856 1.00 0.33 H new ATOM 0 HE22 GLN B 15 0.377 -2.238 -3.468 1.00 0.33 H new ATOM 255 N ALA B 16 -4.360 1.900 -5.744 1.00 0.35 N ATOM 256 CA ALA B 16 -5.082 2.681 -6.787 1.00 0.41 C ATOM 257 C ALA B 16 -6.268 3.403 -6.151 1.00 0.40 C ATOM 258 O ALA B 16 -6.679 4.453 -6.604 1.00 0.43 O ATOM 259 CB ALA B 16 -5.554 1.651 -7.813 1.00 0.48 C ATOM 0 H ALA B 16 -4.390 0.887 -5.858 1.00 0.35 H new ATOM 0 HA ALA B 16 -4.454 3.440 -7.253 1.00 0.41 H new ATOM 0 HB1 ALA B 16 -6.095 2.156 -8.613 1.00 0.48 H new ATOM 0 HB2 ALA B 16 -4.691 1.131 -8.230 1.00 0.48 H new ATOM 0 HB3 ALA B 16 -6.212 0.930 -7.328 1.00 0.48 H new ATOM 265 N GLN B 17 -6.805 2.866 -5.085 1.00 0.40 N ATOM 266 CA GLN B 17 -7.940 3.555 -4.413 1.00 0.42 C ATOM 267 C GLN B 17 -7.372 4.701 -3.598 1.00 0.37 C ATOM 268 O GLN B 17 -7.921 5.785 -3.542 1.00 0.40 O ATOM 269 CB GLN B 17 -8.574 2.505 -3.501 1.00 0.45 C ATOM 270 CG GLN B 17 -9.577 1.669 -4.296 1.00 0.53 C ATOM 271 CD GLN B 17 -9.994 0.450 -3.470 1.00 0.66 C ATOM 272 OE1 GLN B 17 -10.442 0.587 -2.348 1.00 1.06 O ATOM 273 NE2 GLN B 17 -9.868 -0.744 -3.980 1.00 1.33 N ATOM 0 H GLN B 17 -6.508 1.989 -4.657 1.00 0.40 H new ATOM 0 HA GLN B 17 -8.676 3.957 -5.109 1.00 0.42 H new ATOM 0 HB2 GLN B 17 -7.802 1.861 -3.080 1.00 0.45 H new ATOM 0 HB3 GLN B 17 -9.074 2.991 -2.664 1.00 0.45 H new ATOM 0 HG2 GLN B 17 -10.452 2.270 -4.544 1.00 0.53 H new ATOM 0 HG3 GLN B 17 -9.133 1.348 -5.238 1.00 0.53 H new ATOM 0 HE21 GLN B 17 -9.492 -0.859 -4.921 1.00 1.33 H new ATOM 0 HE22 GLN B 17 -10.145 -1.562 -3.438 1.00 1.33 H new ATOM 282 N TRP B 18 -6.250 4.465 -2.991 1.00 0.32 N ATOM 283 CA TRP B 18 -5.589 5.527 -2.198 1.00 0.30 C ATOM 284 C TRP B 18 -4.963 6.538 -3.149 1.00 0.31 C ATOM 285 O TRP B 18 -5.112 7.734 -3.007 1.00 0.35 O ATOM 286 CB TRP B 18 -4.486 4.809 -1.426 1.00 0.25 C ATOM 287 CG TRP B 18 -3.654 5.831 -0.726 1.00 0.24 C ATOM 288 CD1 TRP B 18 -3.781 6.226 0.557 1.00 0.30 C ATOM 289 CD2 TRP B 18 -2.570 6.600 -1.282 1.00 0.24 C ATOM 290 NE1 TRP B 18 -2.835 7.210 0.810 1.00 0.31 N ATOM 291 CE2 TRP B 18 -2.061 7.464 -0.297 1.00 0.29 C ATOM 292 CE3 TRP B 18 -1.988 6.619 -2.544 1.00 0.28 C ATOM 293 CZ2 TRP B 18 -1.000 8.324 -0.566 1.00 0.34 C ATOM 294 CZ3 TRP B 18 -0.930 7.470 -2.821 1.00 0.36 C ATOM 295 CH2 TRP B 18 -0.435 8.322 -1.843 1.00 0.38 C ATOM 0 H TRP B 18 -5.758 3.572 -3.011 1.00 0.32 H new ATOM 0 HA TRP B 18 -6.281 6.054 -1.540 1.00 0.30 H new ATOM 0 HB2 TRP B 18 -4.919 4.115 -0.705 1.00 0.25 H new ATOM 0 HB3 TRP B 18 -3.870 4.220 -2.106 1.00 0.25 H new ATOM 0 HD1 TRP B 18 -4.498 5.842 1.268 1.00 0.30 H new ATOM 0 HE1 TRP B 18 -2.728 7.685 1.706 1.00 0.31 H new ATOM 0 HE3 TRP B 18 -2.364 5.964 -3.316 1.00 0.28 H new ATOM 0 HZ2 TRP B 18 -0.620 8.982 0.201 1.00 0.34 H new ATOM 0 HZ3 TRP B 18 -0.487 7.470 -3.806 1.00 0.36 H new ATOM 0 HH2 TRP B 18 0.388 8.984 -2.070 1.00 0.38 H new ATOM 306 N LYS B 19 -4.256 6.041 -4.119 1.00 0.30 N ATOM 307 CA LYS B 19 -3.587 6.928 -5.104 1.00 0.37 C ATOM 308 C LYS B 19 -4.643 7.745 -5.815 1.00 0.46 C ATOM 309 O LYS B 19 -4.434 8.894 -6.157 1.00 0.70 O ATOM 310 CB LYS B 19 -2.881 5.991 -6.086 1.00 0.40 C ATOM 311 CG LYS B 19 -1.605 5.426 -5.455 1.00 0.49 C ATOM 312 CD LYS B 19 -0.697 4.858 -6.551 1.00 0.96 C ATOM 313 CE LYS B 19 0.649 5.589 -6.532 1.00 1.30 C ATOM 314 NZ LYS B 19 1.675 4.528 -6.739 1.00 1.92 N ATOM 0 H LYS B 19 -4.111 5.043 -4.274 1.00 0.30 H new ATOM 0 HA LYS B 19 -2.880 7.617 -4.642 1.00 0.37 H new ATOM 0 HB2 LYS B 19 -3.548 5.176 -6.366 1.00 0.40 H new ATOM 0 HB3 LYS B 19 -2.635 6.530 -7.001 1.00 0.40 H new ATOM 0 HG2 LYS B 19 -1.082 6.208 -4.905 1.00 0.49 H new ATOM 0 HG3 LYS B 19 -1.857 4.646 -4.737 1.00 0.49 H new ATOM 0 HD2 LYS B 19 -0.545 3.790 -6.394 1.00 0.96 H new ATOM 0 HD3 LYS B 19 -1.171 4.973 -7.526 1.00 0.96 H new ATOM 0 HE2 LYS B 19 0.698 6.343 -7.318 1.00 1.30 H new ATOM 0 HE3 LYS B 19 0.803 6.106 -5.585 1.00 1.30 H new ATOM 0 HZ1 LYS B 19 2.411 4.878 -7.386 1.00 1.92 H new ATOM 0 HZ2 LYS B 19 2.106 4.279 -5.826 1.00 1.92 H new ATOM 0 HZ3 LYS B 19 1.225 3.685 -7.150 1.00 1.92 H new ATOM 328 N ALA B 20 -5.786 7.163 -6.029 1.00 0.44 N ATOM 329 CA ALA B 20 -6.864 7.912 -6.707 1.00 0.52 C ATOM 330 C ALA B 20 -7.241 9.135 -5.870 1.00 0.56 C ATOM 331 O ALA B 20 -7.667 10.149 -6.388 1.00 0.74 O ATOM 332 CB ALA B 20 -8.039 6.949 -6.795 1.00 0.55 C ATOM 0 H ALA B 20 -6.016 6.205 -5.764 1.00 0.44 H new ATOM 0 HA ALA B 20 -6.563 8.266 -7.693 1.00 0.52 H new ATOM 0 HB1 ALA B 20 -8.877 7.441 -7.289 1.00 0.55 H new ATOM 0 HB2 ALA B 20 -7.746 6.069 -7.368 1.00 0.55 H new ATOM 0 HB3 ALA B 20 -8.337 6.646 -5.791 1.00 0.55 H new ATOM 338 N ALA B 21 -7.087 9.039 -4.576 1.00 0.54 N ATOM 339 CA ALA B 21 -7.436 10.190 -3.699 1.00 0.66 C ATOM 340 C ALA B 21 -6.220 10.639 -2.896 1.00 0.73 C ATOM 341 O ALA B 21 -6.337 11.201 -1.826 1.00 0.99 O ATOM 342 CB ALA B 21 -8.538 9.673 -2.778 1.00 0.71 C ATOM 0 H ALA B 21 -6.735 8.214 -4.091 1.00 0.54 H new ATOM 0 HA ALA B 21 -7.765 11.057 -4.272 1.00 0.66 H new ATOM 0 HB1 ALA B 21 -8.848 10.468 -2.100 1.00 0.71 H new ATOM 0 HB2 ALA B 21 -9.391 9.352 -3.376 1.00 0.71 H new ATOM 0 HB3 ALA B 21 -8.163 8.829 -2.200 1.00 0.71 H new ATOM 348 N ASN B 22 -5.061 10.417 -3.432 1.00 0.73 N ATOM 349 CA ASN B 22 -3.812 10.849 -2.735 1.00 0.88 C ATOM 350 C ASN B 22 -2.677 11.074 -3.742 1.00 1.08 C ATOM 351 O ASN B 22 -1.577 10.594 -3.548 1.00 0.00 O ATOM 352 CB ASN B 22 -3.444 9.725 -1.774 1.00 0.93 C ATOM 353 CG ASN B 22 -4.511 9.600 -0.690 1.00 0.94 C ATOM 354 OD1 ASN B 22 -4.794 10.545 0.019 1.00 1.13 O ATOM 355 ND2 ASN B 22 -5.116 8.462 -0.535 1.00 0.94 N ATOM 0 H ASN B 22 -4.916 9.952 -4.328 1.00 0.73 H new ATOM 0 HA ASN B 22 -3.968 11.790 -2.208 1.00 0.88 H new ATOM 0 HB2 ASN B 22 -3.353 8.785 -2.318 1.00 0.93 H new ATOM 0 HB3 ASN B 22 -2.473 9.926 -1.320 1.00 0.93 H new ATOM 0 HD21 ASN B 22 -5.832 8.359 0.184 1.00 0.94 H new ATOM 0 HD22 ASN B 22 -4.875 7.671 -1.132 1.00 0.94 H new ATOM 362 N PRO B 23 -2.968 11.829 -4.766 1.00 0.00 N ATOM 363 CA PRO B 23 -1.948 12.153 -5.778 1.00 0.00 C ATOM 364 C PRO B 23 -0.966 13.122 -5.131 1.00 0.00 C ATOM 365 O PRO B 23 0.200 13.166 -5.458 1.00 0.00 O ATOM 366 CB PRO B 23 -2.738 12.812 -6.903 1.00 0.00 C ATOM 367 CG PRO B 23 -3.965 13.346 -6.244 1.00 0.00 C ATOM 368 CD PRO B 23 -4.250 12.452 -5.063 1.00 0.00 C ATOM 0 HA PRO B 23 -1.380 11.302 -6.153 1.00 0.00 H new ATOM 0 HB2 PRO B 23 -2.164 13.609 -7.375 1.00 0.00 H new ATOM 0 HB3 PRO B 23 -2.989 12.094 -7.684 1.00 0.00 H new ATOM 0 HG2 PRO B 23 -3.813 14.376 -5.921 1.00 0.00 H new ATOM 0 HG3 PRO B 23 -4.806 13.350 -6.938 1.00 0.00 H new ATOM 0 HD2 PRO B 23 -4.621 13.023 -4.212 1.00 0.00 H new ATOM 0 HD3 PRO B 23 -5.009 11.707 -5.302 1.00 0.00 H new ATOM 376 N LEU B 24 -1.442 13.879 -4.176 1.00 0.00 N ATOM 377 CA LEU B 24 -0.550 14.830 -3.453 1.00 0.00 C ATOM 378 C LEU B 24 0.616 14.044 -2.854 1.00 0.00 C ATOM 379 O LEU B 24 1.731 14.515 -2.774 1.00 0.00 O ATOM 380 CB LEU B 24 -1.437 15.462 -2.360 1.00 0.00 C ATOM 381 CG LEU B 24 -1.399 14.636 -1.054 1.00 0.00 C ATOM 382 CD1 LEU B 24 -2.005 15.463 0.081 1.00 0.00 C ATOM 383 CD2 LEU B 24 -2.205 13.333 -1.212 1.00 0.00 C ATOM 0 H LEU B 24 -2.414 13.878 -3.866 1.00 0.00 H new ATOM 0 HA LEU B 24 -0.123 15.602 -4.093 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -1.100 16.479 -2.159 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -2.464 15.532 -2.718 1.00 0.00 H new ATOM 0 HG LEU B 24 -0.363 14.385 -0.829 1.00 0.00 H new ATOM 0 HD11 LEU B 24 -1.981 14.885 1.005 1.00 0.00 H new ATOM 0 HD12 LEU B 24 -1.429 16.379 0.211 1.00 0.00 H new ATOM 0 HD13 LEU B 24 -3.037 15.714 -0.163 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -2.166 12.766 -0.282 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -3.242 13.573 -1.447 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -1.778 12.737 -2.019 1.00 0.00 H new ATOM 395 N LEU B 25 0.357 12.825 -2.481 1.00 0.00 N ATOM 396 CA LEU B 25 1.430 11.954 -1.943 1.00 0.00 C ATOM 397 C LEU B 25 1.829 11.015 -3.068 1.00 0.00 C ATOM 398 O LEU B 25 2.157 9.862 -2.871 1.00 0.00 O ATOM 399 CB LEU B 25 0.781 11.186 -0.791 1.00 0.00 C ATOM 400 CG LEU B 25 1.095 11.885 0.534 1.00 0.00 C ATOM 401 CD1 LEU B 25 -0.090 11.727 1.488 1.00 0.00 C ATOM 402 CD2 LEU B 25 2.340 11.251 1.160 1.00 0.00 C ATOM 0 H LEU B 25 -0.565 12.391 -2.527 1.00 0.00 H new ATOM 0 HA LEU B 25 2.314 12.487 -1.593 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -0.298 11.132 -0.939 1.00 0.00 H new ATOM 0 HB3 LEU B 25 1.151 10.161 -0.770 1.00 0.00 H new ATOM 0 HG LEU B 25 1.276 12.944 0.352 1.00 0.00 H new ATOM 0 HD11 LEU B 25 0.134 12.225 2.432 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -0.978 12.176 1.043 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -0.271 10.668 1.671 1.00 0.00 H new ATOM 0 HD21 LEU B 25 2.566 11.747 2.104 1.00 0.00 H new ATOM 0 HD22 LEU B 25 2.157 10.192 1.342 1.00 0.00 H new ATOM 0 HD23 LEU B 25 3.185 11.362 0.481 1.00 0.00 H new ATOM 414 N VAL B 26 1.750 11.524 -4.259 1.00 0.00 N ATOM 415 CA VAL B 26 2.058 10.721 -5.460 1.00 0.00 C ATOM 416 C VAL B 26 2.501 11.655 -6.591 1.00 0.00 C ATOM 417 O VAL B 26 1.743 12.481 -7.056 1.00 0.00 O ATOM 418 CB VAL B 26 0.719 10.031 -5.766 1.00 0.00 C ATOM 419 CG1 VAL B 26 0.367 10.159 -7.250 1.00 0.00 C ATOM 420 CG2 VAL B 26 0.842 8.557 -5.391 1.00 0.00 C ATOM 0 H VAL B 26 1.478 12.488 -4.452 1.00 0.00 H new ATOM 0 HA VAL B 26 2.866 10.001 -5.333 1.00 0.00 H new ATOM 0 HB VAL B 26 -0.074 10.507 -5.189 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -0.584 9.663 -7.442 1.00 0.00 H new ATOM 0 HG12 VAL B 26 0.287 11.213 -7.515 1.00 0.00 H new ATOM 0 HG13 VAL B 26 1.147 9.692 -7.851 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -0.099 8.048 -5.601 1.00 0.00 H new ATOM 0 HG22 VAL B 26 1.640 8.098 -5.975 1.00 0.00 H new ATOM 0 HG23 VAL B 26 1.073 8.470 -4.329 1.00 0.00 H new ATOM 430 N GLY B 27 3.722 11.541 -7.024 1.00 0.00 N ATOM 431 CA GLY B 27 4.207 12.444 -8.108 1.00 0.00 C ATOM 432 C GLY B 27 4.264 13.872 -7.555 1.00 0.00 C ATOM 433 O GLY B 27 5.326 14.418 -7.326 1.00 0.00 O ATOM 0 H GLY B 27 4.405 10.866 -6.679 1.00 0.00 H new ATOM 0 HA2 GLY B 27 5.193 12.130 -8.451 1.00 0.00 H new ATOM 0 HA3 GLY B 27 3.540 12.396 -8.969 1.00 0.00 H new ATOM 437 N VAL B 28 3.123 14.468 -7.314 1.00 0.00 N ATOM 438 CA VAL B 28 3.098 15.848 -6.747 1.00 0.00 C ATOM 439 C VAL B 28 3.445 15.788 -5.261 1.00 0.00 C ATOM 440 O VAL B 28 3.204 14.795 -4.608 1.00 0.00 O ATOM 441 CB VAL B 28 1.664 16.344 -6.935 1.00 0.00 C ATOM 442 CG1 VAL B 28 1.540 17.766 -6.384 1.00 0.00 C ATOM 443 CG2 VAL B 28 1.315 16.343 -8.426 1.00 0.00 C ATOM 0 H VAL B 28 2.206 14.056 -7.487 1.00 0.00 H new ATOM 0 HA VAL B 28 3.815 16.509 -7.233 1.00 0.00 H new ATOM 0 HB VAL B 28 0.979 15.686 -6.401 1.00 0.00 H new ATOM 0 HG11 VAL B 28 0.518 18.120 -6.518 1.00 0.00 H new ATOM 0 HG12 VAL B 28 1.789 17.768 -5.323 1.00 0.00 H new ATOM 0 HG13 VAL B 28 2.225 18.424 -6.918 1.00 0.00 H new ATOM 0 HG21 VAL B 28 0.293 16.697 -8.561 1.00 0.00 H new ATOM 0 HG22 VAL B 28 2.000 17.001 -8.960 1.00 0.00 H new ATOM 0 HG23 VAL B 28 1.404 15.330 -8.820 1.00 0.00 H new ATOM 453 N SER B 29 4.006 16.839 -4.723 1.00 0.00 N ATOM 454 CA SER B 29 4.362 16.835 -3.273 1.00 0.00 C ATOM 455 C SER B 29 5.105 15.548 -2.911 1.00 0.00 C ATOM 456 O SER B 29 5.635 14.875 -3.770 1.00 0.00 O ATOM 457 CB SER B 29 3.026 16.902 -2.536 1.00 0.00 C ATOM 458 OG SER B 29 2.909 18.160 -1.884 1.00 0.00 O ATOM 0 H SER B 29 4.233 17.698 -5.224 1.00 0.00 H new ATOM 0 HA SER B 29 5.017 17.665 -3.010 1.00 0.00 H new ATOM 0 HB2 SER B 29 2.204 16.766 -3.238 1.00 0.00 H new ATOM 0 HB3 SER B 29 2.959 16.094 -1.807 1.00 0.00 H new ATOM 0 HG SER B 29 2.051 18.205 -1.412 1.00 0.00 H new ATOM 464 N ALA B 30 5.132 15.213 -1.643 1.00 0.00 N ATOM 465 CA ALA B 30 5.823 13.965 -1.159 1.00 0.00 C ATOM 466 C ALA B 30 6.206 13.031 -2.316 1.00 0.00 C ATOM 467 O ALA B 30 5.504 12.089 -2.626 1.00 0.00 O ATOM 468 CB ALA B 30 4.798 13.283 -0.249 1.00 0.00 C ATOM 0 H ALA B 30 4.695 15.762 -0.903 1.00 0.00 H new ATOM 0 HA ALA B 30 6.756 14.204 -0.649 1.00 0.00 H new ATOM 0 HB1 ALA B 30 5.221 12.361 0.149 1.00 0.00 H new ATOM 0 HB2 ALA B 30 4.542 13.950 0.575 1.00 0.00 H new ATOM 0 HB3 ALA B 30 3.900 13.052 -0.822 1.00 0.00 H new ATOM 474 N LYS B 31 7.313 13.293 -2.954 1.00 0.00 N ATOM 475 CA LYS B 31 7.744 12.430 -4.092 1.00 0.00 C ATOM 476 C LYS B 31 8.970 11.598 -3.696 1.00 0.00 C ATOM 477 O LYS B 31 10.077 12.099 -3.689 1.00 0.00 O ATOM 478 CB LYS B 31 8.100 13.406 -5.213 1.00 0.00 C ATOM 479 CG LYS B 31 8.009 12.688 -6.562 1.00 0.00 C ATOM 480 CD LYS B 31 8.954 13.359 -7.562 1.00 0.00 C ATOM 481 CE LYS B 31 9.585 12.296 -8.465 1.00 0.00 C ATOM 482 NZ LYS B 31 11.008 12.710 -8.609 1.00 0.00 N ATOM 0 H LYS B 31 7.939 14.068 -2.737 1.00 0.00 H new ATOM 0 HA LYS B 31 6.968 11.726 -4.392 1.00 0.00 H new ATOM 0 HB2 LYS B 31 7.422 14.259 -5.196 1.00 0.00 H new ATOM 0 HB3 LYS B 31 9.107 13.796 -5.064 1.00 0.00 H new ATOM 0 HG2 LYS B 31 8.273 11.637 -6.445 1.00 0.00 H new ATOM 0 HG3 LYS B 31 6.985 12.720 -6.935 1.00 0.00 H new ATOM 0 HD2 LYS B 31 8.407 14.084 -8.164 1.00 0.00 H new ATOM 0 HD3 LYS B 31 9.732 13.908 -7.031 1.00 0.00 H new ATOM 0 HE2 LYS B 31 9.505 11.303 -8.022 1.00 0.00 H new ATOM 0 HE3 LYS B 31 9.086 12.254 -9.433 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 11.532 11.978 -9.130 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 11.057 13.608 -9.131 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 11.431 12.833 -7.667 1.00 0.00 H new ATOM 496 N PRO B 32 8.736 10.348 -3.382 1.00 0.00 N ATOM 497 CA PRO B 32 9.847 9.447 -2.987 1.00 0.00 C ATOM 498 C PRO B 32 10.693 9.080 -4.210 1.00 0.00 C ATOM 499 O PRO B 32 10.301 8.269 -5.027 1.00 0.00 O ATOM 500 CB PRO B 32 9.134 8.218 -2.431 1.00 0.00 C ATOM 501 CG PRO B 32 7.789 8.221 -3.085 1.00 0.00 C ATOM 502 CD PRO B 32 7.438 9.661 -3.361 1.00 0.00 C ATOM 0 HA PRO B 32 10.530 9.898 -2.267 1.00 0.00 H new ATOM 0 HB2 PRO B 32 9.683 7.305 -2.662 1.00 0.00 H new ATOM 0 HB3 PRO B 32 9.045 8.271 -1.346 1.00 0.00 H new ATOM 0 HG2 PRO B 32 7.808 7.644 -4.010 1.00 0.00 H new ATOM 0 HG3 PRO B 32 7.044 7.759 -2.437 1.00 0.00 H new ATOM 0 HD2 PRO B 32 6.914 9.769 -4.311 1.00 0.00 H new ATOM 0 HD3 PRO B 32 6.784 10.067 -2.589 1.00 0.00 H new ATOM 510 N VAL B 33 11.850 9.673 -4.342 1.00 0.00 N ATOM 511 CA VAL B 33 12.721 9.362 -5.514 1.00 0.00 C ATOM 512 C VAL B 33 13.192 7.905 -5.451 1.00 0.00 C ATOM 513 O VAL B 33 13.316 7.329 -4.388 1.00 0.00 O ATOM 514 CB VAL B 33 13.911 10.319 -5.394 1.00 0.00 C ATOM 515 CG1 VAL B 33 13.410 11.767 -5.409 1.00 0.00 C ATOM 516 CG2 VAL B 33 14.658 10.051 -4.083 1.00 0.00 C ATOM 0 H VAL B 33 12.230 10.359 -3.690 1.00 0.00 H new ATOM 0 HA VAL B 33 12.196 9.485 -6.461 1.00 0.00 H new ATOM 0 HB VAL B 33 14.586 10.160 -6.235 1.00 0.00 H new ATOM 0 HG11 VAL B 33 14.258 12.446 -5.324 1.00 0.00 H new ATOM 0 HG12 VAL B 33 12.883 11.960 -6.343 1.00 0.00 H new ATOM 0 HG13 VAL B 33 12.732 11.926 -4.571 1.00 0.00 H new ATOM 0 HG21 VAL B 33 15.504 10.733 -4.000 1.00 0.00 H new ATOM 0 HG22 VAL B 33 13.983 10.206 -3.241 1.00 0.00 H new ATOM 0 HG23 VAL B 33 15.019 9.023 -4.074 1.00 0.00 H new ATOM 526 N ASN B 34 13.456 7.308 -6.583 1.00 0.00 N ATOM 527 CA ASN B 34 13.921 5.888 -6.588 1.00 0.00 C ATOM 528 C ASN B 34 15.306 5.787 -5.942 1.00 0.00 C ATOM 529 O ASN B 34 15.919 6.782 -5.609 1.00 0.00 O ATOM 530 CB ASN B 34 13.988 5.490 -8.065 1.00 0.00 C ATOM 531 CG ASN B 34 12.876 4.488 -8.378 1.00 0.00 C ATOM 532 OD1 ASN B 34 13.064 3.294 -8.247 1.00 0.00 O ATOM 533 ND2 ASN B 34 11.716 4.924 -8.787 1.00 0.00 N ATOM 0 H ASN B 34 13.370 7.740 -7.503 1.00 0.00 H new ATOM 0 HA ASN B 34 13.255 5.235 -6.024 1.00 0.00 H new ATOM 0 HB2 ASN B 34 13.883 6.373 -8.695 1.00 0.00 H new ATOM 0 HB3 ASN B 34 14.960 5.052 -8.290 1.00 0.00 H new ATOM 0 HD21 ASN B 34 10.968 4.263 -8.997 1.00 0.00 H new ATOM 0 HD22 ASN B 34 11.558 5.926 -8.897 1.00 0.00 H new ATOM 540 N ARG B 35 15.800 4.592 -5.762 1.00 0.00 N ATOM 541 CA ARG B 35 17.145 4.426 -5.137 1.00 0.00 C ATOM 542 C ARG B 35 18.034 3.549 -6.029 1.00 0.00 C ATOM 543 O ARG B 35 17.713 2.404 -6.279 1.00 0.00 O ATOM 544 CB ARG B 35 16.883 3.733 -3.796 1.00 0.00 C ATOM 545 CG ARG B 35 15.824 4.506 -3.001 1.00 0.00 C ATOM 546 CD ARG B 35 16.376 5.878 -2.602 1.00 0.00 C ATOM 547 NE ARG B 35 16.932 5.689 -1.230 1.00 0.00 N ATOM 548 CZ ARG B 35 17.659 6.625 -0.671 1.00 0.00 C ATOM 549 NH1 ARG B 35 17.910 7.744 -1.303 1.00 0.00 N ATOM 550 NH2 ARG B 35 18.136 6.440 0.529 1.00 0.00 N ATOM 0 H ARG B 35 15.331 3.724 -6.020 1.00 0.00 H new ATOM 0 HA ARG B 35 17.659 5.378 -5.007 1.00 0.00 H new ATOM 0 HB2 ARG B 35 16.546 2.710 -3.966 1.00 0.00 H new ATOM 0 HB3 ARG B 35 17.808 3.673 -3.222 1.00 0.00 H new ATOM 0 HG2 ARG B 35 14.922 4.627 -3.601 1.00 0.00 H new ATOM 0 HG3 ARG B 35 15.542 3.944 -2.111 1.00 0.00 H new ATOM 0 HD2 ARG B 35 17.147 6.210 -3.297 1.00 0.00 H new ATOM 0 HD3 ARG B 35 15.592 6.636 -2.609 1.00 0.00 H new ATOM 0 HE ARG B 35 16.745 4.824 -0.723 1.00 0.00 H new ATOM 0 HH11 ARG B 35 17.538 7.894 -2.241 1.00 0.00 H new ATOM 0 HH12 ARG B 35 18.477 8.465 -0.857 1.00 0.00 H new ATOM 0 HH21 ARG B 35 17.942 5.571 1.026 1.00 0.00 H new ATOM 0 HH22 ARG B 35 18.703 7.165 0.970 1.00 0.00 H new ATOM 564 N PRO B 36 19.126 4.114 -6.486 1.00 0.00 N ATOM 565 CA PRO B 36 20.057 3.357 -7.362 1.00 0.00 C ATOM 566 C PRO B 36 20.826 2.313 -6.548 1.00 0.00 C ATOM 567 O PRO B 36 21.217 2.625 -5.436 1.00 0.00 O ATOM 568 CB PRO B 36 21.001 4.431 -7.895 1.00 0.00 C ATOM 569 CG PRO B 36 20.959 5.525 -6.878 1.00 0.00 C ATOM 570 CD PRO B 36 19.595 5.485 -6.241 1.00 0.00 C ATOM 571 OXT PRO B 36 21.010 1.217 -7.052 1.00 0.00 O ATOM 0 HA PRO B 36 19.549 2.810 -8.156 1.00 0.00 H new ATOM 0 HB2 PRO B 36 22.012 4.043 -8.015 1.00 0.00 H new ATOM 0 HB3 PRO B 36 20.679 4.789 -8.873 1.00 0.00 H new ATOM 0 HG2 PRO B 36 21.738 5.385 -6.129 1.00 0.00 H new ATOM 0 HG3 PRO B 36 21.137 6.493 -7.346 1.00 0.00 H new ATOM 0 HD2 PRO B 36 19.646 5.704 -5.175 1.00 0.00 H new ATOM 0 HD3 PRO B 36 18.925 6.221 -6.686 1.00 0.00 H new TER 579 PRO B 36 ATOM 580 P G A 1 12.317 -14.875 -0.274 1.00 1.31 P ATOM 581 OP1 G A 1 13.148 -14.744 -1.497 1.00 1.51 O ATOM 582 OP2 G A 1 10.905 -14.417 -0.294 1.00 1.52 O ATOM 583 O5' G A 1 13.069 -14.127 0.916 1.00 1.09 O ATOM 584 C5' G A 1 12.339 -13.630 2.053 1.00 1.03 C ATOM 585 C4' G A 1 11.781 -14.780 2.858 1.00 0.94 C ATOM 586 O4' G A 1 12.126 -14.577 4.249 1.00 1.02 O ATOM 587 C3' G A 1 10.263 -14.877 2.852 1.00 0.80 C ATOM 588 O3' G A 1 9.826 -15.663 1.747 1.00 0.75 O ATOM 589 C2' G A 1 9.958 -15.571 4.176 1.00 0.78 C ATOM 590 O2' G A 1 10.007 -16.981 4.081 1.00 0.77 O ATOM 591 C1' G A 1 11.086 -15.065 5.074 1.00 0.90 C ATOM 592 N9 G A 1 10.633 -13.975 5.928 1.00 0.90 N ATOM 593 C8 G A 1 10.790 -12.629 5.710 1.00 0.97 C ATOM 594 N7 G A 1 10.249 -11.896 6.643 1.00 0.99 N ATOM 595 C5 G A 1 9.707 -12.815 7.530 1.00 0.90 C ATOM 596 C6 G A 1 8.995 -12.613 8.733 1.00 0.88 C ATOM 597 O6 G A 1 8.693 -11.548 9.270 1.00 0.94 O ATOM 598 N1 G A 1 8.623 -13.820 9.323 1.00 0.82 N ATOM 599 C2 G A 1 8.908 -15.062 8.809 1.00 0.81 C ATOM 600 N2 G A 1 8.468 -16.114 9.519 1.00 0.83 N ATOM 601 N3 G A 1 9.572 -15.263 7.685 1.00 0.83 N ATOM 602 C4 G A 1 9.939 -14.102 7.103 1.00 0.86 C ATOM 0 H5' G A 1 11.528 -12.983 1.719 1.00 1.03 H new ATOM 0 H5'' G A 1 12.994 -13.023 2.678 1.00 1.03 H new ATOM 0 H4' G A 1 12.199 -15.678 2.403 1.00 0.94 H new ATOM 0 H3' G A 1 9.761 -13.914 2.754 1.00 0.80 H new ATOM 0 H2' G A 1 8.952 -15.353 4.535 1.00 0.78 H new ATOM 0 HO2' G A 1 9.948 -17.248 3.140 1.00 0.77 H new ATOM 0 H1' G A 1 11.424 -15.887 5.705 1.00 0.90 H new ATOM 0 H8 G A 1 11.308 -12.220 4.855 1.00 0.97 H new ATOM 0 H1 G A 1 8.102 -13.778 10.199 1.00 0.82 H new ATOM 0 H21 G A 1 8.648 -17.063 9.190 1.00 0.83 H new ATOM 0 H22 G A 1 7.954 -15.964 10.387 1.00 0.83 H new ATOM 614 P C A 2 8.289 -15.598 1.283 1.00 0.69 P ATOM 615 OP1 C A 2 8.115 -16.496 0.112 1.00 0.84 O ATOM 616 OP2 C A 2 7.921 -14.164 1.168 1.00 0.82 O ATOM 617 O5' C A 2 7.491 -16.219 2.513 1.00 0.58 O ATOM 618 C5' C A 2 6.792 -17.470 2.385 1.00 0.57 C ATOM 619 C4' C A 2 5.490 -17.416 3.148 1.00 0.55 C ATOM 620 O4' C A 2 5.780 -17.073 4.526 1.00 0.54 O ATOM 621 C3' C A 2 4.535 -16.324 2.696 1.00 0.51 C ATOM 622 O3' C A 2 3.721 -16.782 1.619 1.00 0.59 O ATOM 623 C2' C A 2 3.697 -16.071 3.944 1.00 0.53 C ATOM 624 O2' C A 2 2.585 -16.942 4.043 1.00 0.67 O ATOM 625 C1' C A 2 4.690 -16.356 5.073 1.00 0.51 C ATOM 626 N1 C A 2 5.210 -15.131 5.697 1.00 0.45 N ATOM 627 C2 C A 2 4.696 -14.751 6.936 1.00 0.44 C ATOM 628 O2 C A 2 3.831 -15.464 7.467 1.00 0.49 O ATOM 629 N3 C A 2 5.152 -13.623 7.524 1.00 0.43 N ATOM 630 C4 C A 2 6.085 -12.887 6.919 1.00 0.45 C ATOM 631 N4 C A 2 6.506 -11.780 7.537 1.00 0.49 N ATOM 632 C5 C A 2 6.628 -13.253 5.652 1.00 0.47 C ATOM 633 C6 C A 2 6.168 -14.374 5.080 1.00 0.46 C ATOM 0 H5' C A 2 7.412 -18.282 2.764 1.00 0.57 H new ATOM 0 H5'' C A 2 6.598 -17.681 1.333 1.00 0.57 H new ATOM 0 H4' C A 2 5.030 -18.392 2.991 1.00 0.55 H new ATOM 0 H3' C A 2 5.038 -15.430 2.327 1.00 0.51 H new ATOM 0 H2' C A 2 3.269 -15.069 3.955 1.00 0.53 H new ATOM 0 HO2' C A 2 1.800 -16.517 3.638 1.00 0.67 H new ATOM 0 H1' C A 2 4.166 -16.921 5.844 1.00 0.51 H new ATOM 0 H41 C A 2 7.219 -11.193 7.103 1.00 0.49 H new ATOM 0 H42 C A 2 6.115 -11.521 8.443 1.00 0.49 H new ATOM 0 H5 C A 2 7.383 -12.648 5.171 1.00 0.47 H new ATOM 0 H6 C A 2 6.558 -14.683 4.121 1.00 0.46 H new ATOM 645 P C A 3 2.309 -16.070 1.326 1.00 0.67 P ATOM 646 OP1 C A 3 1.244 -16.845 2.013 1.00 1.20 O ATOM 647 OP2 C A 3 2.221 -15.842 -0.139 1.00 1.00 O ATOM 648 O5' C A 3 2.436 -14.652 2.042 1.00 0.89 O ATOM 649 C5' C A 3 1.325 -13.734 2.075 1.00 0.68 C ATOM 650 C4' C A 3 0.708 -13.713 3.452 1.00 0.61 C ATOM 651 O4' C A 3 1.770 -13.763 4.435 1.00 0.67 O ATOM 652 C3' C A 3 -0.050 -12.438 3.771 1.00 0.56 C ATOM 653 O3' C A 3 -1.408 -12.544 3.356 1.00 0.57 O ATOM 654 C2' C A 3 0.060 -12.336 5.287 1.00 0.57 C ATOM 655 O2' C A 3 -0.956 -13.053 5.961 1.00 0.64 O ATOM 656 C1' C A 3 1.423 -12.978 5.560 1.00 0.62 C ATOM 657 N1 C A 3 2.492 -11.986 5.749 1.00 0.61 N ATOM 658 C2 C A 3 2.523 -11.236 6.928 1.00 0.56 C ATOM 659 O2 C A 3 1.640 -11.420 7.780 1.00 0.55 O ATOM 660 N3 C A 3 3.513 -10.333 7.110 1.00 0.58 N ATOM 661 C4 C A 3 4.444 -10.165 6.168 1.00 0.65 C ATOM 662 N4 C A 3 5.403 -9.264 6.389 1.00 0.71 N ATOM 663 C5 C A 3 4.433 -10.915 4.957 1.00 0.71 C ATOM 664 C6 C A 3 3.448 -11.806 4.789 1.00 0.68 C ATOM 0 H5' C A 3 0.578 -14.029 1.338 1.00 0.68 H new ATOM 0 H5'' C A 3 1.662 -12.733 1.804 1.00 0.68 H new ATOM 0 H4' C A 3 0.021 -14.559 3.477 1.00 0.61 H new ATOM 0 H3' C A 3 0.345 -11.560 3.260 1.00 0.56 H new ATOM 0 H2' C A 3 -0.043 -11.309 5.639 1.00 0.57 H new ATOM 0 HO2' C A 3 -1.744 -13.126 5.383 1.00 0.64 H new ATOM 0 H1' C A 3 1.334 -13.562 6.476 1.00 0.62 H new ATOM 0 H41 C A 3 6.130 -9.111 5.690 1.00 0.71 H new ATOM 0 H42 C A 3 5.409 -8.728 7.257 1.00 0.71 H new ATOM 0 H5 C A 3 5.192 -10.770 4.202 1.00 0.71 H new ATOM 0 H6 C A 3 3.408 -12.391 3.882 1.00 0.68 H new ATOM 676 P C A 4 -2.161 -11.256 2.759 1.00 0.57 P ATOM 677 OP1 C A 4 -3.493 -11.702 2.279 1.00 0.60 O ATOM 678 OP2 C A 4 -1.236 -10.571 1.822 1.00 0.73 O ATOM 679 O5' C A 4 -2.379 -10.317 4.027 1.00 0.61 O ATOM 680 C5' C A 4 -3.469 -10.547 4.938 1.00 0.51 C ATOM 681 C4' C A 4 -3.344 -9.643 6.143 1.00 0.47 C ATOM 682 O4' C A 4 -2.037 -9.846 6.735 1.00 0.55 O ATOM 683 C3' C A 4 -3.384 -8.157 5.829 1.00 0.45 C ATOM 684 O3' C A 4 -4.737 -7.692 5.747 1.00 0.51 O ATOM 685 C2' C A 4 -2.601 -7.542 6.987 1.00 0.47 C ATOM 686 O2' C A 4 -3.377 -7.284 8.141 1.00 0.57 O ATOM 687 C1' C A 4 -1.571 -8.629 7.294 1.00 0.48 C ATOM 688 N1 C A 4 -0.266 -8.320 6.696 1.00 0.43 N ATOM 689 C2 C A 4 0.579 -7.425 7.353 1.00 0.39 C ATOM 690 O2 C A 4 0.206 -6.925 8.423 1.00 0.43 O ATOM 691 N3 C A 4 1.778 -7.129 6.804 1.00 0.38 N ATOM 692 C4 C A 4 2.136 -7.690 5.650 1.00 0.45 C ATOM 693 N4 C A 4 3.320 -7.374 5.144 1.00 0.51 N ATOM 694 C5 C A 4 1.293 -8.603 4.965 1.00 0.51 C ATOM 695 C6 C A 4 0.115 -8.889 5.515 1.00 0.48 C ATOM 0 H5' C A 4 -3.473 -11.590 5.256 1.00 0.51 H new ATOM 0 H5'' C A 4 -4.418 -10.364 4.434 1.00 0.51 H new ATOM 0 H4' C A 4 -4.191 -9.899 6.779 1.00 0.47 H new ATOM 0 H3' C A 4 -2.953 -7.890 4.864 1.00 0.45 H new ATOM 0 H2' C A 4 -2.195 -6.567 6.716 1.00 0.47 H new ATOM 0 HO2' C A 4 -3.858 -8.097 8.400 1.00 0.57 H new ATOM 0 H1' C A 4 -1.448 -8.697 8.375 1.00 0.48 H new ATOM 0 H41 C A 4 3.624 -7.786 4.262 1.00 0.51 H new ATOM 0 H42 C A 4 3.927 -6.719 5.637 1.00 0.51 H new ATOM 0 H5 C A 4 1.597 -9.050 4.030 1.00 0.51 H new ATOM 0 H6 C A 4 -0.549 -9.582 5.020 1.00 0.48 H new ATOM 707 P U A 5 -5.635 -7.554 7.074 1.00 0.57 P ATOM 708 OP1 U A 5 -5.123 -8.522 8.077 1.00 0.62 O ATOM 709 OP2 U A 5 -7.063 -7.607 6.670 1.00 0.77 O ATOM 710 O5' U A 5 -5.321 -6.077 7.577 1.00 0.49 O ATOM 711 C5' U A 5 -4.507 -5.188 6.786 1.00 0.45 C ATOM 712 C4' U A 5 -3.752 -4.238 7.684 1.00 0.41 C ATOM 713 O4' U A 5 -2.439 -4.795 7.920 1.00 0.47 O ATOM 714 C3' U A 5 -3.450 -2.873 7.084 1.00 0.35 C ATOM 715 O3' U A 5 -4.537 -1.970 7.277 1.00 0.36 O ATOM 716 C2' U A 5 -2.234 -2.423 7.883 1.00 0.41 C ATOM 717 O2' U A 5 -2.583 -1.773 9.090 1.00 0.50 O ATOM 718 C1' U A 5 -1.531 -3.747 8.185 1.00 0.43 C ATOM 719 N1 U A 5 -0.342 -3.938 7.345 1.00 0.43 N ATOM 720 C2 U A 5 0.742 -3.144 7.621 1.00 0.40 C ATOM 721 O2 U A 5 0.740 -2.319 8.522 1.00 0.39 O ATOM 722 N3 U A 5 1.828 -3.344 6.808 1.00 0.43 N ATOM 723 C4 U A 5 1.933 -4.236 5.768 1.00 0.50 C ATOM 724 O4 U A 5 2.983 -4.292 5.125 1.00 0.54 O ATOM 725 C5 U A 5 0.763 -5.028 5.543 1.00 0.55 C ATOM 726 C6 U A 5 -0.313 -4.858 6.322 1.00 0.51 C ATOM 0 H5' U A 5 -5.135 -4.626 6.095 1.00 0.45 H new ATOM 0 H5'' U A 5 -3.806 -5.765 6.182 1.00 0.45 H new ATOM 0 H4' U A 5 -4.393 -4.114 8.557 1.00 0.41 H new ATOM 0 H3' U A 5 -3.284 -2.905 6.007 1.00 0.35 H new ATOM 0 H2' U A 5 -1.629 -1.698 7.339 1.00 0.41 H new ATOM 0 HO2' U A 5 -3.478 -1.382 9.004 1.00 0.50 H new ATOM 0 H1' U A 5 -1.212 -3.740 9.227 1.00 0.43 H new ATOM 0 H3 U A 5 2.648 -2.767 6.996 1.00 0.43 H new ATOM 0 H5 U A 5 0.748 -5.760 4.749 1.00 0.55 H new ATOM 0 H6 U A 5 -1.188 -5.464 6.141 1.00 0.51 H new ATOM 737 P G A 6 -4.924 -0.932 6.111 1.00 0.43 P ATOM 738 OP1 G A 6 -6.407 -0.880 6.044 1.00 0.54 O ATOM 739 OP2 G A 6 -4.150 -1.291 4.896 1.00 0.65 O ATOM 740 O5' G A 6 -4.411 0.482 6.642 1.00 0.43 O ATOM 741 C5' G A 6 -3.100 0.634 7.227 1.00 0.47 C ATOM 742 C4' G A 6 -2.206 1.442 6.312 1.00 0.47 C ATOM 743 O4' G A 6 -0.870 0.882 6.343 1.00 0.53 O ATOM 744 C3' G A 6 -2.581 1.372 4.845 1.00 0.39 C ATOM 745 O3' G A 6 -3.583 2.339 4.547 1.00 0.41 O ATOM 746 C2' G A 6 -1.268 1.708 4.144 1.00 0.48 C ATOM 747 O2' G A 6 -1.073 3.099 3.973 1.00 0.59 O ATOM 748 C1' G A 6 -0.222 1.143 5.109 1.00 0.49 C ATOM 749 N9 G A 6 0.365 -0.104 4.629 1.00 0.50 N ATOM 750 C8 G A 6 -0.248 -1.330 4.579 1.00 0.60 C ATOM 751 N7 G A 6 0.525 -2.271 4.110 1.00 0.63 N ATOM 752 C5 G A 6 1.722 -1.627 3.827 1.00 0.54 C ATOM 753 C6 G A 6 2.935 -2.132 3.289 1.00 0.55 C ATOM 754 O6 G A 6 3.203 -3.290 2.950 1.00 0.61 O ATOM 755 N1 G A 6 3.898 -1.135 3.158 1.00 0.55 N ATOM 756 C2 G A 6 3.712 0.182 3.503 1.00 0.57 C ATOM 757 N2 G A 6 4.758 1.003 3.302 1.00 0.70 N ATOM 758 N3 G A 6 2.585 0.666 4.006 1.00 0.53 N ATOM 759 C4 G A 6 1.640 -0.287 4.141 1.00 0.49 C ATOM 0 H5' G A 6 -2.658 -0.346 7.405 1.00 0.47 H new ATOM 0 H5'' G A 6 -3.182 1.128 8.195 1.00 0.47 H new ATOM 0 H4' G A 6 -2.295 2.466 6.674 1.00 0.47 H new ATOM 0 H3' G A 6 -2.992 0.410 4.541 1.00 0.39 H new ATOM 0 H2' G A 6 -1.227 1.298 3.135 1.00 0.48 H new ATOM 0 HO2' G A 6 -0.236 3.255 3.488 1.00 0.59 H new ATOM 0 H1' G A 6 0.582 1.873 5.206 1.00 0.49 H new ATOM 0 H8 G A 6 -1.267 -1.499 4.896 1.00 0.60 H new ATOM 0 H1 G A 6 4.807 -1.401 2.779 1.00 0.55 H new ATOM 0 H21 G A 6 4.682 1.992 3.538 1.00 0.70 H new ATOM 0 H22 G A 6 5.627 0.636 2.913 1.00 0.70 H new ATOM 771 P A A 7 -4.380 2.255 3.155 1.00 0.43 P ATOM 772 OP1 A A 7 -4.791 3.635 2.793 1.00 0.74 O ATOM 773 OP2 A A 7 -5.409 1.189 3.269 1.00 0.66 O ATOM 774 O5' A A 7 -3.275 1.776 2.113 1.00 0.33 O ATOM 775 C5' A A 7 -3.595 1.614 0.722 1.00 0.29 C ATOM 776 C4' A A 7 -2.538 2.267 -0.135 1.00 0.23 C ATOM 777 O4' A A 7 -2.549 3.692 0.104 1.00 0.23 O ATOM 778 C3' A A 7 -1.108 1.876 0.187 1.00 0.25 C ATOM 779 O3' A A 7 -0.768 0.668 -0.474 1.00 0.27 O ATOM 780 C2' A A 7 -0.307 3.046 -0.375 1.00 0.24 C ATOM 781 O2' A A 7 0.006 2.890 -1.747 1.00 0.25 O ATOM 782 C1' A A 7 -1.269 4.216 -0.189 1.00 0.21 C ATOM 783 N9 A A 7 -0.865 5.104 0.901 1.00 0.24 N ATOM 784 C8 A A 7 -1.474 5.286 2.117 1.00 0.29 C ATOM 785 N7 A A 7 -0.865 6.153 2.889 1.00 0.33 N ATOM 786 C5 A A 7 0.219 6.571 2.129 1.00 0.30 C ATOM 787 C6 A A 7 1.255 7.486 2.381 1.00 0.34 C ATOM 788 N6 A A 7 1.375 8.177 3.517 1.00 0.39 N ATOM 789 N1 A A 7 2.179 7.671 1.412 1.00 0.35 N ATOM 790 C2 A A 7 2.057 6.978 0.272 1.00 0.32 C ATOM 791 N3 A A 7 1.131 6.092 -0.081 1.00 0.27 N ATOM 792 C4 A A 7 0.230 5.933 0.904 1.00 0.25 C ATOM 0 H5' A A 7 -4.569 2.056 0.511 1.00 0.29 H new ATOM 0 H5'' A A 7 -3.667 0.554 0.479 1.00 0.29 H new ATOM 0 H4' A A 7 -2.789 1.950 -1.147 1.00 0.23 H new ATOM 0 H3' A A 7 -0.928 1.701 1.248 1.00 0.25 H new ATOM 0 H2' A A 7 0.658 3.160 0.119 1.00 0.24 H new ATOM 0 HO2' A A 7 0.979 2.847 -1.858 1.00 0.25 H new ATOM 0 H1' A A 7 -1.270 4.803 -1.108 1.00 0.21 H new ATOM 0 H8 A A 7 -2.372 4.763 2.411 1.00 0.29 H new ATOM 0 H61 A A 7 2.151 8.827 3.639 1.00 0.39 H new ATOM 0 H62 A A 7 0.690 8.055 4.263 1.00 0.39 H new ATOM 0 H2 A A 7 2.822 7.166 -0.467 1.00 0.32 H new ATOM 804 P A A 8 0.002 -0.487 0.326 1.00 0.37 P ATOM 805 OP1 A A 8 -0.372 -1.769 -0.319 1.00 0.47 O ATOM 806 OP2 A A 8 -0.245 -0.297 1.778 1.00 0.44 O ATOM 807 O5' A A 8 1.541 -0.195 0.034 1.00 0.38 O ATOM 808 C5' A A 8 1.966 0.314 -1.246 1.00 0.39 C ATOM 809 C4' A A 8 3.021 1.381 -1.062 1.00 0.43 C ATOM 810 O4' A A 8 2.407 2.531 -0.432 1.00 0.37 O ATOM 811 C3' A A 8 4.161 1.001 -0.132 1.00 0.53 C ATOM 812 O3' A A 8 5.212 0.351 -0.843 1.00 0.66 O ATOM 813 C2' A A 8 4.634 2.348 0.405 1.00 0.50 C ATOM 814 O2' A A 8 5.578 2.975 -0.439 1.00 0.58 O ATOM 815 C1' A A 8 3.340 3.164 0.427 1.00 0.38 C ATOM 816 N9 A A 8 2.749 3.236 1.760 1.00 0.36 N ATOM 817 C8 A A 8 1.684 2.520 2.241 1.00 0.42 C ATOM 818 N7 A A 8 1.373 2.805 3.482 1.00 0.47 N ATOM 819 C5 A A 8 2.299 3.772 3.843 1.00 0.41 C ATOM 820 C6 A A 8 2.510 4.483 5.039 1.00 0.44 C ATOM 821 N6 A A 8 1.766 4.325 6.136 1.00 0.54 N ATOM 822 N1 A A 8 3.524 5.374 5.069 1.00 0.40 N ATOM 823 C2 A A 8 4.271 5.533 3.968 1.00 0.36 C ATOM 824 N3 A A 8 4.171 4.925 2.788 1.00 0.35 N ATOM 825 C4 A A 8 3.154 4.047 2.793 1.00 0.35 C ATOM 0 H5' A A 8 1.112 0.726 -1.783 1.00 0.39 H new ATOM 0 H5'' A A 8 2.363 -0.499 -1.855 1.00 0.39 H new ATOM 0 H4' A A 8 3.422 1.555 -2.060 1.00 0.43 H new ATOM 0 H3' A A 8 3.855 0.304 0.649 1.00 0.53 H new ATOM 0 H2' A A 8 5.136 2.251 1.368 1.00 0.50 H new ATOM 0 HO2' A A 8 5.413 2.711 -1.368 1.00 0.58 H new ATOM 0 H1' A A 8 3.577 4.179 0.108 1.00 0.38 H new ATOM 0 H8 A A 8 1.150 1.789 1.652 1.00 0.42 H new ATOM 0 H61 A A 8 1.970 4.871 6.973 1.00 0.54 H new ATOM 0 H62 A A 8 0.994 3.658 6.137 1.00 0.54 H new ATOM 0 H2 A A 8 5.068 6.258 4.050 1.00 0.36 H new ATOM 837 P A A 9 4.971 -1.098 -1.489 1.00 1.47 P ATOM 838 OP1 A A 9 4.141 -0.911 -2.706 1.00 2.33 O ATOM 839 OP2 A A 9 4.516 -2.018 -0.418 1.00 2.35 O ATOM 840 O5' A A 9 6.424 -1.559 -1.953 1.00 1.08 O ATOM 841 C5' A A 9 7.600 -1.053 -1.299 1.00 1.04 C ATOM 842 C4' A A 9 8.166 0.110 -2.074 1.00 1.09 C ATOM 843 O4' A A 9 7.507 0.173 -3.361 1.00 1.26 O ATOM 844 C3' A A 9 7.877 1.464 -1.461 1.00 0.99 C ATOM 845 O3' A A 9 8.837 1.792 -0.464 1.00 1.17 O ATOM 846 C2' A A 9 7.972 2.399 -2.658 1.00 1.26 C ATOM 847 O2' A A 9 9.305 2.781 -2.946 1.00 1.57 O ATOM 848 C1' A A 9 7.425 1.521 -3.786 1.00 1.29 C ATOM 849 N9 A A 9 6.020 1.805 -4.080 1.00 0.00 N ATOM 850 C8 A A 9 5.205 2.730 -3.476 1.00 0.00 C ATOM 851 N7 A A 9 3.985 2.753 -3.956 1.00 0.00 N ATOM 852 C5 A A 9 3.998 1.775 -4.941 1.00 0.00 C ATOM 853 C6 A A 9 3.005 1.304 -5.817 1.00 0.00 C ATOM 854 N6 A A 9 1.758 1.777 -5.850 1.00 0.00 N ATOM 855 N1 A A 9 3.344 0.314 -6.671 1.00 0.00 N ATOM 856 C2 A A 9 4.595 -0.161 -6.638 1.00 0.00 C ATOM 857 N3 A A 9 5.612 0.200 -5.863 1.00 0.00 N ATOM 858 C4 A A 9 5.244 1.184 -5.028 1.00 0.00 C ATOM 0 H5' A A 9 8.347 -1.842 -1.216 1.00 1.04 H new ATOM 0 H5'' A A 9 7.354 -0.739 -0.285 1.00 1.04 H new ATOM 0 H4' A A 9 9.241 -0.065 -2.105 1.00 1.09 H new ATOM 0 H3' A A 9 6.914 1.515 -0.952 1.00 0.99 H new ATOM 0 H2' A A 9 7.439 3.337 -2.501 1.00 1.26 H new ATOM 0 HO2' A A 9 9.878 2.574 -2.178 1.00 1.57 H new ATOM 0 H1' A A 9 8.010 1.719 -4.684 1.00 1.29 H new ATOM 0 H8 A A 9 5.538 3.379 -2.679 1.00 0.00 H new ATOM 0 H61 A A 9 1.084 1.391 -6.511 1.00 0.00 H new ATOM 0 H62 A A 9 1.479 2.524 -5.214 1.00 0.00 H new ATOM 0 H2 A A 9 4.808 -0.951 -7.343 1.00 0.00 H new ATOM 870 P A A 10 8.347 2.421 0.931 1.00 1.33 P ATOM 871 OP1 A A 10 7.224 1.582 1.443 1.00 2.10 O ATOM 872 OP2 A A 10 8.143 3.880 0.735 1.00 2.11 O ATOM 873 O5' A A 10 9.597 2.222 1.897 1.00 0.79 O ATOM 874 C5' A A 10 9.407 1.906 3.283 1.00 0.59 C ATOM 875 C4' A A 10 9.464 3.162 4.117 1.00 0.54 C ATOM 876 O4' A A 10 8.151 3.767 4.117 1.00 0.50 O ATOM 877 C3' A A 10 9.780 2.918 5.580 1.00 0.50 C ATOM 878 O3' A A 10 11.189 2.923 5.796 1.00 0.61 O ATOM 879 C2' A A 10 9.091 4.077 6.289 1.00 0.50 C ATOM 880 O2' A A 10 9.900 5.236 6.357 1.00 0.61 O ATOM 881 C1' A A 10 7.882 4.336 5.385 1.00 0.48 C ATOM 882 N9 A A 10 6.669 3.691 5.879 1.00 0.45 N ATOM 883 C8 A A 10 5.945 2.721 5.238 1.00 0.45 C ATOM 884 N7 A A 10 4.897 2.311 5.911 1.00 0.51 N ATOM 885 C5 A A 10 4.937 3.063 7.077 1.00 0.54 C ATOM 886 C6 A A 10 4.105 3.098 8.210 1.00 0.64 C ATOM 887 N6 A A 10 3.021 2.333 8.357 1.00 0.72 N ATOM 888 N1 A A 10 4.429 3.957 9.200 1.00 0.69 N ATOM 889 C2 A A 10 5.517 4.724 9.052 1.00 0.66 C ATOM 890 N3 A A 10 6.375 4.783 8.037 1.00 0.58 N ATOM 891 C4 A A 10 6.026 3.918 7.071 1.00 0.51 C ATOM 0 H5' A A 10 10.176 1.207 3.613 1.00 0.59 H new ATOM 0 H5'' A A 10 8.446 1.412 3.422 1.00 0.59 H new ATOM 0 H4' A A 10 10.251 3.775 3.678 1.00 0.54 H new ATOM 0 H3' A A 10 9.437 1.950 5.944 1.00 0.50 H new ATOM 0 H2' A A 10 8.850 3.843 7.326 1.00 0.50 H new ATOM 0 HO2' A A 10 10.845 4.979 6.310 1.00 0.61 H new ATOM 0 H1' A A 10 7.724 5.414 5.350 1.00 0.48 H new ATOM 0 H8 A A 10 6.213 2.330 4.268 1.00 0.45 H new ATOM 0 H61 A A 10 2.457 2.405 9.204 1.00 0.72 H new ATOM 0 H62 A A 10 2.757 1.677 7.622 1.00 0.72 H new ATOM 0 H2 A A 10 5.728 5.391 9.875 1.00 0.66 H new ATOM 903 P A A 11 11.809 2.103 7.031 1.00 0.62 P ATOM 904 OP1 A A 11 12.903 2.912 7.626 1.00 0.77 O ATOM 905 OP2 A A 11 12.091 0.725 6.552 1.00 0.65 O ATOM 906 O5' A A 11 10.614 2.026 8.081 1.00 0.58 O ATOM 907 C5' A A 11 10.608 2.860 9.256 1.00 0.56 C ATOM 908 C4' A A 11 9.273 2.761 9.959 1.00 0.49 C ATOM 909 O4' A A 11 8.233 2.670 8.956 1.00 0.46 O ATOM 910 C3' A A 11 9.098 1.514 10.808 1.00 0.47 C ATOM 911 O3' A A 11 9.611 1.752 12.125 1.00 0.51 O ATOM 912 C2' A A 11 7.586 1.309 10.802 1.00 0.43 C ATOM 913 O2' A A 11 6.925 2.062 11.801 1.00 0.47 O ATOM 914 C1' A A 11 7.186 1.841 9.424 1.00 0.42 C ATOM 915 N9 A A 11 6.984 0.788 8.428 1.00 0.41 N ATOM 916 C8 A A 11 7.872 0.359 7.473 1.00 0.46 C ATOM 917 N7 A A 11 7.399 -0.589 6.700 1.00 0.47 N ATOM 918 C5 A A 11 6.114 -0.801 7.180 1.00 0.42 C ATOM 919 C6 A A 11 5.087 -1.681 6.789 1.00 0.43 C ATOM 920 N6 A A 11 5.183 -2.555 5.777 1.00 0.49 N ATOM 921 N1 A A 11 3.931 -1.637 7.484 1.00 0.40 N ATOM 922 C2 A A 11 3.818 -0.771 8.495 1.00 0.37 C ATOM 923 N3 A A 11 4.707 0.106 8.956 1.00 0.37 N ATOM 924 C4 A A 11 5.846 0.039 8.247 1.00 0.39 C ATOM 0 H5' A A 11 10.805 3.895 8.977 1.00 0.56 H new ATOM 0 H5'' A A 11 11.407 2.555 9.932 1.00 0.56 H new ATOM 0 H4' A A 11 9.220 3.640 10.602 1.00 0.49 H new ATOM 0 H3' A A 11 9.631 0.636 10.442 1.00 0.47 H new ATOM 0 H2' A A 11 7.317 0.271 10.997 1.00 0.43 H new ATOM 0 HO2' A A 11 6.931 1.563 12.644 1.00 0.47 H new ATOM 0 H1' A A 11 6.240 2.369 9.545 1.00 0.42 H new ATOM 0 H8 A A 11 8.867 0.764 7.368 1.00 0.46 H new ATOM 0 H61 A A 11 4.395 -3.162 5.551 1.00 0.49 H new ATOM 0 H62 A A 11 6.044 -2.613 5.233 1.00 0.49 H new ATOM 0 H2 A A 11 2.870 -0.784 9.012 1.00 0.37 H new ATOM 936 P G A 12 9.056 0.911 13.382 1.00 0.56 P ATOM 937 OP1 G A 12 7.594 0.725 13.231 1.00 0.65 O ATOM 938 OP2 G A 12 9.578 1.578 14.602 1.00 0.68 O ATOM 939 O5' G A 12 9.789 -0.503 13.281 1.00 0.50 O ATOM 940 C5' G A 12 9.249 -1.591 12.494 1.00 0.47 C ATOM 941 C4' G A 12 7.749 -1.664 12.647 1.00 0.42 C ATOM 942 O4' G A 12 7.170 -1.296 11.371 1.00 0.40 O ATOM 943 C3' G A 12 7.186 -3.048 12.904 1.00 0.39 C ATOM 944 O3' G A 12 7.233 -3.385 14.297 1.00 0.43 O ATOM 945 C2' G A 12 5.761 -2.932 12.368 1.00 0.35 C ATOM 946 O2' G A 12 4.839 -2.377 13.286 1.00 0.37 O ATOM 947 C1' G A 12 5.947 -1.979 11.186 1.00 0.35 C ATOM 948 N9 G A 12 6.027 -2.723 9.936 1.00 0.33 N ATOM 949 C8 G A 12 7.065 -2.741 9.039 1.00 0.36 C ATOM 950 N7 G A 12 6.847 -3.531 8.022 1.00 0.36 N ATOM 951 C5 G A 12 5.588 -4.062 8.267 1.00 0.33 C ATOM 952 C6 G A 12 4.813 -4.983 7.513 1.00 0.36 C ATOM 953 O6 G A 12 5.098 -5.534 6.443 1.00 0.40 O ATOM 954 N1 G A 12 3.591 -5.249 8.125 1.00 0.36 N ATOM 955 C2 G A 12 3.173 -4.699 9.313 1.00 0.34 C ATOM 956 N2 G A 12 1.964 -5.078 9.748 1.00 0.37 N ATOM 957 N3 G A 12 3.884 -3.842 10.022 1.00 0.31 N ATOM 958 C4 G A 12 5.070 -3.571 9.443 1.00 0.31 C ATOM 0 H5' G A 12 9.698 -2.533 12.809 1.00 0.47 H new ATOM 0 H5'' G A 12 9.506 -1.450 11.444 1.00 0.47 H new ATOM 0 H4' G A 12 7.516 -1.024 13.498 1.00 0.42 H new ATOM 0 H3' G A 12 7.748 -3.849 12.425 1.00 0.39 H new ATOM 0 H2' G A 12 5.341 -3.910 12.131 1.00 0.35 H new ATOM 0 HO2' G A 12 5.204 -1.545 13.653 1.00 0.37 H new ATOM 0 H1' G A 12 5.102 -1.292 11.138 1.00 0.35 H new ATOM 0 H8 G A 12 7.968 -2.162 9.161 1.00 0.36 H new ATOM 0 H1 G A 12 2.960 -5.900 7.657 1.00 0.36 H new ATOM 0 H21 G A 12 1.597 -4.705 10.624 1.00 0.37 H new ATOM 0 H22 G A 12 1.410 -5.740 9.204 1.00 0.37 H new ATOM 970 P G A 13 6.223 -2.689 15.341 1.00 0.51 P ATOM 971 OP1 G A 13 5.815 -1.378 14.779 1.00 0.59 O ATOM 972 OP2 G A 13 6.849 -2.743 16.686 1.00 0.57 O ATOM 973 O5' G A 13 4.958 -3.662 15.357 1.00 0.57 O ATOM 974 C5' G A 13 4.746 -4.574 16.456 1.00 0.62 C ATOM 975 C4' G A 13 3.660 -5.566 16.122 1.00 0.60 C ATOM 976 O4' G A 13 3.209 -5.304 14.770 1.00 0.59 O ATOM 977 C3' G A 13 4.139 -7.004 16.098 1.00 0.59 C ATOM 978 O3' G A 13 4.054 -7.603 17.399 1.00 0.66 O ATOM 979 C2' G A 13 3.207 -7.665 15.092 1.00 0.57 C ATOM 980 O2' G A 13 1.995 -8.144 15.638 1.00 0.63 O ATOM 981 C1' G A 13 2.908 -6.524 14.121 1.00 0.54 C ATOM 982 N9 G A 13 3.731 -6.602 12.923 1.00 0.50 N ATOM 983 C8 G A 13 4.858 -5.867 12.661 1.00 0.54 C ATOM 984 N7 G A 13 5.392 -6.146 11.504 1.00 0.56 N ATOM 985 C5 G A 13 4.567 -7.128 10.973 1.00 0.50 C ATOM 986 C6 G A 13 4.640 -7.825 9.738 1.00 0.53 C ATOM 987 O6 G A 13 5.479 -7.707 8.837 1.00 0.60 O ATOM 988 N1 G A 13 3.597 -8.739 9.599 1.00 0.51 N ATOM 989 C2 G A 13 2.614 -8.953 10.535 1.00 0.48 C ATOM 990 N2 G A 13 1.694 -9.879 10.223 1.00 0.52 N ATOM 991 N3 G A 13 2.536 -8.312 11.688 1.00 0.47 N ATOM 992 C4 G A 13 3.536 -7.420 11.839 1.00 0.47 C ATOM 0 H5' G A 13 4.473 -4.016 17.351 1.00 0.62 H new ATOM 0 H5'' G A 13 5.672 -5.103 16.680 1.00 0.62 H new ATOM 0 H4' G A 13 2.895 -5.450 16.890 1.00 0.60 H new ATOM 0 H3' G A 13 5.188 -7.107 15.820 1.00 0.59 H new ATOM 0 H2' G A 13 3.671 -8.551 14.659 1.00 0.57 H new ATOM 0 HO2' G A 13 1.517 -7.406 16.070 1.00 0.63 H new ATOM 0 H1' G A 13 1.860 -6.591 13.829 1.00 0.54 H new ATOM 0 H8 G A 13 5.262 -5.133 13.342 1.00 0.54 H new ATOM 0 H1 G A 13 3.561 -9.289 8.741 1.00 0.51 H new ATOM 0 H21 G A 13 0.937 -10.086 10.875 1.00 0.52 H new ATOM 0 H22 G A 13 1.752 -10.376 9.334 1.00 0.52 H new ATOM 1004 P G A 14 2.627 -8.038 18.005 1.00 0.74 P ATOM 1005 OP1 G A 14 1.589 -7.109 17.493 1.00 0.90 O ATOM 1006 OP2 G A 14 2.806 -8.196 19.471 1.00 0.80 O ATOM 1007 O5' G A 14 2.371 -9.489 17.394 1.00 0.68 O ATOM 1008 C5' G A 14 1.035 -10.022 17.280 1.00 0.70 C ATOM 1009 C4' G A 14 1.069 -11.400 16.654 1.00 0.68 C ATOM 1010 O4' G A 14 0.954 -11.262 15.215 1.00 0.67 O ATOM 1011 C3' G A 14 2.367 -12.160 16.829 1.00 0.67 C ATOM 1012 O3' G A 14 2.407 -12.822 18.088 1.00 0.77 O ATOM 1013 C2' G A 14 2.314 -13.157 15.677 1.00 0.67 C ATOM 1014 O2' G A 14 1.538 -14.301 15.977 1.00 0.80 O ATOM 1015 C1' G A 14 1.624 -12.341 14.582 1.00 0.61 C ATOM 1016 N9 G A 14 2.590 -11.784 13.644 1.00 0.50 N ATOM 1017 C8 G A 14 3.320 -10.637 13.816 1.00 0.50 C ATOM 1018 N7 G A 14 4.132 -10.391 12.826 1.00 0.47 N ATOM 1019 C5 G A 14 3.923 -11.441 11.943 1.00 0.41 C ATOM 1020 C6 G A 14 4.524 -11.716 10.690 1.00 0.40 C ATOM 1021 O6 G A 14 5.388 -11.062 10.095 1.00 0.45 O ATOM 1022 N1 G A 14 4.024 -12.887 10.124 1.00 0.41 N ATOM 1023 C2 G A 14 3.066 -13.687 10.702 1.00 0.46 C ATOM 1024 N2 G A 14 2.709 -14.776 10.007 1.00 0.55 N ATOM 1025 N3 G A 14 2.499 -13.440 11.872 1.00 0.49 N ATOM 1026 C4 G A 14 2.971 -12.309 12.432 1.00 0.44 C ATOM 0 H5' G A 14 0.421 -9.355 16.674 1.00 0.70 H new ATOM 0 H5'' G A 14 0.572 -10.074 18.265 1.00 0.70 H new ATOM 0 H4' G A 14 0.261 -11.938 17.149 1.00 0.68 H new ATOM 0 H3' G A 14 3.254 -11.526 16.815 1.00 0.67 H new ATOM 0 H2' G A 14 3.300 -13.544 15.419 1.00 0.67 H new ATOM 0 HO2' G A 14 1.782 -15.030 15.370 1.00 0.80 H new ATOM 0 H1' G A 14 0.942 -12.989 14.031 1.00 0.61 H new ATOM 0 H8 G A 14 3.232 -10.001 14.684 1.00 0.50 H new ATOM 0 H1 G A 14 4.395 -13.171 9.217 1.00 0.41 H new ATOM 0 H21 G A 14 2.003 -15.411 10.381 1.00 0.55 H new ATOM 0 H22 G A 14 3.143 -14.970 9.105 1.00 0.55 H new ATOM 1038 P C A 15 3.826 -13.159 18.761 1.00 0.87 P ATOM 1039 OP1 C A 15 3.580 -13.844 20.055 1.00 1.02 O ATOM 1040 OP2 C A 15 4.639 -11.917 18.730 1.00 0.91 O ATOM 1041 O5' C A 15 4.480 -14.206 17.754 1.00 0.85 O ATOM 1042 C5' C A 15 3.833 -15.460 17.483 1.00 0.94 C ATOM 1043 C4' C A 15 4.638 -16.262 16.488 1.00 0.97 C ATOM 1044 O4' C A 15 4.456 -15.712 15.162 1.00 0.84 O ATOM 1045 C3' C A 15 6.137 -16.179 16.693 1.00 1.09 C ATOM 1046 O3' C A 15 6.570 -17.123 17.682 1.00 1.31 O ATOM 1047 C2' C A 15 6.684 -16.541 15.318 1.00 1.09 C ATOM 1048 O2' C A 15 6.837 -17.937 15.137 1.00 1.30 O ATOM 1049 C1' C A 15 5.600 -16.004 14.380 1.00 0.89 C ATOM 1050 N1 C A 15 6.017 -14.781 13.683 1.00 0.75 N ATOM 1051 C2 C A 15 6.726 -14.901 12.483 1.00 0.77 C ATOM 1052 O2 C A 15 6.972 -16.031 12.038 1.00 0.89 O ATOM 1053 N3 C A 15 7.126 -13.788 11.839 1.00 0.70 N ATOM 1054 C4 C A 15 6.845 -12.590 12.343 1.00 0.66 C ATOM 1055 N4 C A 15 7.263 -11.530 11.666 1.00 0.71 N ATOM 1056 C5 C A 15 6.125 -12.433 13.563 1.00 0.64 C ATOM 1057 C6 C A 15 5.732 -13.546 14.196 1.00 0.66 C ATOM 0 H5' C A 15 2.831 -15.283 17.092 1.00 0.94 H new ATOM 0 H5'' C A 15 3.719 -16.025 18.408 1.00 0.94 H new ATOM 0 H4' C A 15 4.288 -17.286 16.618 1.00 0.97 H new ATOM 0 H3' C A 15 6.473 -15.205 17.050 1.00 1.09 H new ATOM 0 H2' C A 15 7.679 -16.129 15.150 1.00 1.09 H new ATOM 0 HO2' C A 15 6.932 -18.372 16.010 1.00 1.30 H new ATOM 0 HO3' C A 15 7.541 -17.054 17.797 1.00 1.31 H new ATOM 0 H1' C A 15 5.397 -16.760 13.622 1.00 0.89 H new ATOM 0 H41 C A 15 7.069 -10.592 12.017 1.00 0.71 H new ATOM 0 H42 C A 15 7.779 -11.652 10.794 1.00 0.71 H new ATOM 0 H5 C A 15 5.905 -11.454 13.962 1.00 0.64 H new ATOM 0 H6 C A 15 5.183 -13.467 15.123 1.00 0.66 H new TER 1069 C A 15