USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=21 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 -15:sc= -0.08 USER MOD Single : A 2 C O2' : rot -63:sc= 0.865 USER MOD Single : A 3 C O2' : rot -15:sc= 0.166 USER MOD Single : A 4 C O2' : rot 57:sc= -5.87! USER MOD Single : A 5 U O2' : rot -19:sc= 0.177 USER MOD Single : A 6 G O2' : rot 52:sc= -4.33! USER MOD Single : A 7 A O2' : rot 180:sc= -6.72! USER MOD Single : A 8 A O2' : rot 43:sc= -1.36! USER MOD Single : A 9 A O2' : rot -16:sc= 0.153 USER MOD Single : A 10 A O2' : rot 180:sc= -0.0423 USER MOD Single : A 11 A O2' : rot -15:sc= 0.172 USER MOD Single : A 12 G O2' : rot -15:sc= 0.156 USER MOD Single : A 13 G O2' : rot 57:sc= -5.6! USER MOD Single : A 14 G O2' : rot -160:sc= -3.68! USER MOD Single : A 15 C O2' : rot -23:sc= 0.17 USER MOD Single : A 15 C O3' : rot 180:sc= 0.16 USER MOD Single : B 4 GLN : amide:sc= -2.14 K(o=-2.1,f=-3.7!) USER MOD Single : B 5 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 GLN :FLIP amide:sc= -2.47! C(o=-4.4!,f=-2.5!) USER MOD Single : B 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 19 LYS NZ :NH3+ -167:sc= -4.02! (180deg=-4.36!) USER MOD Single : B 22 ASN :FLIP amide:sc= -6.9! C(o=-8.3!,f=-6.9!) USER MOD Single : B 29 SER OG : rot -62:sc= 1.19 USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 ASN : amide:sc= -0.209 X(o=-0.21,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP B 2 10.003 -11.128 -2.158 1.00 0.76 N ATOM 2 CA ASP B 2 9.592 -11.507 -0.772 1.00 0.88 C ATOM 3 C ASP B 2 8.094 -11.798 -0.729 1.00 0.68 C ATOM 4 O ASP B 2 7.464 -12.031 -1.742 1.00 0.66 O ATOM 5 CB ASP B 2 9.916 -10.295 0.106 1.00 1.25 C ATOM 6 CG ASP B 2 11.352 -9.830 -0.153 1.00 1.88 C ATOM 7 OD1 ASP B 2 12.212 -10.681 -0.304 1.00 2.35 O ATOM 8 OD2 ASP B 2 11.565 -8.628 -0.195 1.00 2.37 O ATOM 0 HA ASP B 2 10.111 -12.403 -0.430 1.00 0.88 H new ATOM 0 HB2 ASP B 2 9.219 -9.485 -0.107 1.00 1.25 H new ATOM 0 HB3 ASP B 2 9.793 -10.554 1.158 1.00 1.25 H new ATOM 15 N ALA B 3 7.527 -11.780 0.441 1.00 0.63 N ATOM 16 CA ALA B 3 6.066 -12.049 0.573 1.00 0.58 C ATOM 17 C ALA B 3 5.305 -10.737 0.713 1.00 0.63 C ATOM 18 O ALA B 3 4.274 -10.539 0.099 1.00 0.61 O ATOM 19 CB ALA B 3 5.929 -12.893 1.840 1.00 0.75 C ATOM 0 H ALA B 3 8.012 -11.590 1.318 1.00 0.63 H new ATOM 0 HA ALA B 3 5.657 -12.561 -0.298 1.00 0.58 H new ATOM 0 HB1 ALA B 3 4.879 -13.133 2.006 1.00 0.75 H new ATOM 0 HB2 ALA B 3 6.498 -13.816 1.726 1.00 0.75 H new ATOM 0 HB3 ALA B 3 6.312 -12.333 2.693 1.00 0.75 H new ATOM 25 N GLN B 4 5.808 -9.837 1.504 1.00 0.75 N ATOM 26 CA GLN B 4 5.114 -8.533 1.667 1.00 0.89 C ATOM 27 C GLN B 4 5.199 -7.761 0.367 1.00 0.79 C ATOM 28 O GLN B 4 4.196 -7.361 -0.195 1.00 0.81 O ATOM 29 CB GLN B 4 5.865 -7.803 2.777 1.00 1.09 C ATOM 30 CG GLN B 4 5.125 -6.511 3.111 1.00 1.29 C ATOM 31 CD GLN B 4 5.901 -5.719 4.156 1.00 0.85 C ATOM 32 OE1 GLN B 4 6.356 -6.264 5.143 1.00 1.14 O ATOM 33 NE2 GLN B 4 6.074 -4.440 3.975 1.00 0.94 N ATOM 0 H GLN B 4 6.667 -9.946 2.044 1.00 0.75 H new ATOM 0 HA GLN B 4 4.059 -8.648 1.917 1.00 0.89 H new ATOM 0 HB2 GLN B 4 5.937 -8.435 3.662 1.00 1.09 H new ATOM 0 HB3 GLN B 4 6.884 -7.582 2.460 1.00 1.09 H new ATOM 0 HG2 GLN B 4 4.998 -5.912 2.209 1.00 1.29 H new ATOM 0 HG3 GLN B 4 4.127 -6.740 3.484 1.00 1.29 H new ATOM 0 HE21 GLN B 4 5.691 -3.986 3.146 1.00 0.94 H new ATOM 0 HE22 GLN B 4 6.592 -3.893 4.662 1.00 0.94 H new ATOM 42 N THR B 5 6.388 -7.572 -0.133 1.00 0.76 N ATOM 43 CA THR B 5 6.534 -6.855 -1.430 1.00 0.79 C ATOM 44 C THR B 5 5.564 -7.486 -2.425 1.00 0.59 C ATOM 45 O THR B 5 4.970 -6.822 -3.252 1.00 0.57 O ATOM 46 CB THR B 5 7.981 -7.083 -1.861 1.00 0.94 C ATOM 47 OG1 THR B 5 8.857 -6.529 -0.889 1.00 1.26 O ATOM 48 CG2 THR B 5 8.214 -6.408 -3.210 1.00 0.94 C ATOM 0 H THR B 5 7.260 -7.881 0.297 1.00 0.76 H new ATOM 0 HA THR B 5 6.316 -5.789 -1.365 1.00 0.79 H new ATOM 0 HB THR B 5 8.175 -8.152 -1.951 1.00 0.94 H new ATOM 0 HG1 THR B 5 9.786 -6.676 -1.164 1.00 1.26 H new ATOM 0 HG21 THR B 5 9.246 -6.567 -3.523 1.00 0.94 H new ATOM 0 HG22 THR B 5 7.539 -6.835 -3.952 1.00 0.94 H new ATOM 0 HG23 THR B 5 8.023 -5.339 -3.120 1.00 0.94 H new ATOM 56 N ARG B 6 5.372 -8.772 -2.301 1.00 0.48 N ATOM 57 CA ARG B 6 4.406 -9.476 -3.182 1.00 0.46 C ATOM 58 C ARG B 6 3.006 -9.088 -2.762 1.00 0.43 C ATOM 59 O ARG B 6 2.151 -8.791 -3.575 1.00 0.45 O ATOM 60 CB ARG B 6 4.599 -10.960 -2.900 1.00 0.56 C ATOM 61 CG ARG B 6 5.175 -11.657 -4.134 1.00 0.78 C ATOM 62 CD ARG B 6 4.589 -13.066 -4.242 1.00 1.03 C ATOM 63 NE ARG B 6 5.039 -13.763 -3.002 1.00 0.88 N ATOM 64 CZ ARG B 6 4.459 -14.871 -2.607 1.00 0.73 C ATOM 65 NH1 ARG B 6 3.471 -15.393 -3.290 1.00 1.26 N ATOM 66 NH2 ARG B 6 4.873 -15.460 -1.519 1.00 1.43 N ATOM 0 H ARG B 6 5.848 -9.366 -1.622 1.00 0.48 H new ATOM 0 HA ARG B 6 4.554 -9.233 -4.234 1.00 0.46 H new ATOM 0 HB2 ARG B 6 5.270 -11.093 -2.051 1.00 0.56 H new ATOM 0 HB3 ARG B 6 3.646 -11.414 -2.628 1.00 0.56 H new ATOM 0 HG2 ARG B 6 4.941 -11.084 -5.031 1.00 0.78 H new ATOM 0 HG3 ARG B 6 6.261 -11.708 -4.063 1.00 0.78 H new ATOM 0 HD2 ARG B 6 3.501 -13.038 -4.307 1.00 1.03 H new ATOM 0 HD3 ARG B 6 4.949 -13.577 -5.135 1.00 1.03 H new ATOM 0 HE ARG B 6 5.807 -13.373 -2.455 1.00 0.88 H new ATOM 0 HH11 ARG B 6 3.143 -14.937 -4.142 1.00 1.26 H new ATOM 0 HH12 ARG B 6 3.030 -16.255 -2.970 1.00 1.26 H new ATOM 0 HH21 ARG B 6 5.642 -15.058 -0.983 1.00 1.43 H new ATOM 0 HH22 ARG B 6 4.428 -16.322 -1.205 1.00 1.43 H new ATOM 80 N ARG B 7 2.766 -9.103 -1.480 1.00 0.61 N ATOM 81 CA ARG B 7 1.417 -8.750 -0.987 1.00 0.80 C ATOM 82 C ARG B 7 1.061 -7.339 -1.457 1.00 0.65 C ATOM 83 O ARG B 7 -0.079 -7.036 -1.742 1.00 0.56 O ATOM 84 CB ARG B 7 1.521 -8.820 0.538 1.00 1.16 C ATOM 85 CG ARG B 7 0.275 -8.197 1.181 1.00 1.10 C ATOM 86 CD ARG B 7 0.585 -7.839 2.632 1.00 0.92 C ATOM 87 NE ARG B 7 -0.374 -6.757 2.990 1.00 0.41 N ATOM 88 CZ ARG B 7 -1.640 -7.029 3.193 1.00 0.93 C ATOM 89 NH1 ARG B 7 -2.086 -8.254 3.082 1.00 1.61 N ATOM 90 NH2 ARG B 7 -2.465 -6.070 3.507 1.00 1.08 N ATOM 0 H ARG B 7 3.446 -9.344 -0.759 1.00 0.61 H new ATOM 0 HA ARG B 7 0.638 -9.416 -1.358 1.00 0.80 H new ATOM 0 HB2 ARG B 7 1.624 -9.858 0.856 1.00 1.16 H new ATOM 0 HB3 ARG B 7 2.415 -8.294 0.874 1.00 1.16 H new ATOM 0 HG2 ARG B 7 -0.026 -7.306 0.630 1.00 1.10 H new ATOM 0 HG3 ARG B 7 -0.560 -8.896 1.137 1.00 1.10 H new ATOM 0 HD2 ARG B 7 0.462 -8.704 3.284 1.00 0.92 H new ATOM 0 HD3 ARG B 7 1.616 -7.502 2.741 1.00 0.92 H new ATOM 0 HE ARG B 7 -0.043 -5.796 3.078 1.00 0.41 H new ATOM 0 HH11 ARG B 7 -1.446 -9.009 2.835 1.00 1.61 H new ATOM 0 HH12 ARG B 7 -3.073 -8.454 3.242 1.00 1.61 H new ATOM 0 HH21 ARG B 7 -2.125 -5.112 3.594 1.00 1.08 H new ATOM 0 HH22 ARG B 7 -3.451 -6.277 3.666 1.00 1.08 H new ATOM 104 N ARG B 8 2.042 -6.482 -1.552 1.00 0.68 N ATOM 105 CA ARG B 8 1.786 -5.086 -2.017 1.00 0.67 C ATOM 106 C ARG B 8 1.076 -5.134 -3.356 1.00 0.48 C ATOM 107 O ARG B 8 0.153 -4.383 -3.606 1.00 0.50 O ATOM 108 CB ARG B 8 3.182 -4.462 -2.147 1.00 0.77 C ATOM 109 CG ARG B 8 3.138 -2.947 -1.895 1.00 0.73 C ATOM 110 CD ARG B 8 2.411 -2.625 -0.580 1.00 0.73 C ATOM 111 NE ARG B 8 2.846 -3.663 0.405 1.00 0.85 N ATOM 112 CZ ARG B 8 2.119 -3.913 1.471 1.00 1.05 C ATOM 113 NH1 ARG B 8 1.006 -3.263 1.696 1.00 1.16 N ATOM 114 NH2 ARG B 8 2.509 -4.819 2.318 1.00 1.43 N ATOM 0 H ARG B 8 3.015 -6.689 -1.327 1.00 0.68 H new ATOM 0 HA ARG B 8 1.155 -4.509 -1.341 1.00 0.67 H new ATOM 0 HB2 ARG B 8 3.861 -4.932 -1.436 1.00 0.77 H new ATOM 0 HB3 ARG B 8 3.579 -4.656 -3.143 1.00 0.77 H new ATOM 0 HG2 ARG B 8 4.153 -2.552 -1.859 1.00 0.73 H new ATOM 0 HG3 ARG B 8 2.632 -2.452 -2.724 1.00 0.73 H new ATOM 0 HD2 ARG B 8 2.666 -1.625 -0.229 1.00 0.73 H new ATOM 0 HD3 ARG B 8 1.330 -2.648 -0.718 1.00 0.73 H new ATOM 0 HE ARG B 8 3.711 -4.180 0.249 1.00 0.85 H new ATOM 0 HH11 ARG B 8 0.690 -2.550 1.039 1.00 1.16 H new ATOM 0 HH12 ARG B 8 0.454 -3.470 2.528 1.00 1.16 H new ATOM 0 HH21 ARG B 8 3.375 -5.332 2.154 1.00 1.43 H new ATOM 0 HH22 ARG B 8 1.949 -5.017 3.147 1.00 1.43 H new ATOM 128 N GLU B 9 1.457 -6.045 -4.202 1.00 0.38 N ATOM 129 CA GLU B 9 0.741 -6.163 -5.498 1.00 0.34 C ATOM 130 C GLU B 9 -0.691 -6.563 -5.183 1.00 0.31 C ATOM 131 O GLU B 9 -1.632 -6.140 -5.826 1.00 0.34 O ATOM 132 CB GLU B 9 1.469 -7.254 -6.289 1.00 0.40 C ATOM 133 CG GLU B 9 2.942 -6.873 -6.458 1.00 0.59 C ATOM 134 CD GLU B 9 3.384 -7.161 -7.895 1.00 1.24 C ATOM 135 OE1 GLU B 9 2.718 -6.693 -8.803 1.00 1.73 O ATOM 136 OE2 GLU B 9 4.380 -7.845 -8.062 1.00 1.88 O ATOM 0 H GLU B 9 2.222 -6.704 -4.056 1.00 0.38 H new ATOM 0 HA GLU B 9 0.725 -5.240 -6.078 1.00 0.34 H new ATOM 0 HB2 GLU B 9 1.388 -8.209 -5.770 1.00 0.40 H new ATOM 0 HB3 GLU B 9 1.002 -7.382 -7.266 1.00 0.40 H new ATOM 0 HG2 GLU B 9 3.084 -5.817 -6.228 1.00 0.59 H new ATOM 0 HG3 GLU B 9 3.557 -7.438 -5.757 1.00 0.59 H new ATOM 143 N ARG B 10 -0.855 -7.334 -4.146 1.00 0.31 N ATOM 144 CA ARG B 10 -2.216 -7.723 -3.718 1.00 0.38 C ATOM 145 C ARG B 10 -2.872 -6.513 -3.060 1.00 0.35 C ATOM 146 O ARG B 10 -4.075 -6.458 -2.898 1.00 0.40 O ATOM 147 CB ARG B 10 -2.019 -8.854 -2.705 1.00 0.46 C ATOM 148 CG ARG B 10 -2.548 -10.170 -3.285 1.00 0.73 C ATOM 149 CD ARG B 10 -1.442 -11.228 -3.250 1.00 0.67 C ATOM 150 NE ARG B 10 -1.577 -11.968 -4.539 1.00 1.55 N ATOM 151 CZ ARG B 10 -1.219 -11.411 -5.670 1.00 2.12 C ATOM 152 NH1 ARG B 10 -0.736 -10.195 -5.693 1.00 2.20 N ATOM 153 NH2 ARG B 10 -1.346 -12.076 -6.786 1.00 3.14 N ATOM 0 H ARG B 10 -0.097 -7.711 -3.577 1.00 0.31 H new ATOM 0 HA ARG B 10 -2.851 -8.049 -4.542 1.00 0.38 H new ATOM 0 HB2 ARG B 10 -0.962 -8.954 -2.459 1.00 0.46 H new ATOM 0 HB3 ARG B 10 -2.541 -8.619 -1.778 1.00 0.46 H new ATOM 0 HG2 ARG B 10 -3.410 -10.511 -2.712 1.00 0.73 H new ATOM 0 HG3 ARG B 10 -2.887 -10.017 -4.310 1.00 0.73 H new ATOM 0 HD2 ARG B 10 -0.458 -10.768 -3.160 1.00 0.67 H new ATOM 0 HD3 ARG B 10 -1.561 -11.896 -2.397 1.00 0.67 H new ATOM 0 HE ARG B 10 -1.952 -12.917 -4.540 1.00 1.55 H new ATOM 0 HH11 ARG B 10 -0.635 -9.670 -4.824 1.00 2.20 H new ATOM 0 HH12 ARG B 10 -0.461 -9.772 -6.580 1.00 2.20 H new ATOM 0 HH21 ARG B 10 -1.722 -13.024 -6.775 1.00 3.14 H new ATOM 0 HH22 ARG B 10 -1.069 -11.648 -7.669 1.00 3.14 H new ATOM 167 N ARG B 11 -2.086 -5.526 -2.692 1.00 0.29 N ATOM 168 CA ARG B 11 -2.674 -4.320 -2.065 1.00 0.29 C ATOM 169 C ARG B 11 -3.006 -3.282 -3.131 1.00 0.24 C ATOM 170 O ARG B 11 -3.466 -2.205 -2.818 1.00 0.25 O ATOM 171 CB ARG B 11 -1.608 -3.790 -1.111 1.00 0.32 C ATOM 172 CG ARG B 11 -1.373 -4.794 0.027 1.00 0.41 C ATOM 173 CD ARG B 11 -2.687 -5.065 0.763 1.00 0.55 C ATOM 174 NE ARG B 11 -2.852 -6.547 0.707 1.00 1.59 N ATOM 175 CZ ARG B 11 -3.985 -7.109 1.048 1.00 2.18 C ATOM 176 NH1 ARG B 11 -4.998 -6.381 1.446 1.00 1.76 N ATOM 177 NH2 ARG B 11 -4.105 -8.406 0.991 1.00 3.24 N ATOM 0 H ARG B 11 -1.072 -5.512 -2.802 1.00 0.29 H new ATOM 0 HA ARG B 11 -3.602 -4.546 -1.540 1.00 0.29 H new ATOM 0 HB2 ARG B 11 -0.678 -3.617 -1.652 1.00 0.32 H new ATOM 0 HB3 ARG B 11 -1.921 -2.830 -0.701 1.00 0.32 H new ATOM 0 HG2 ARG B 11 -0.973 -5.725 -0.375 1.00 0.41 H new ATOM 0 HG3 ARG B 11 -0.631 -4.402 0.722 1.00 0.41 H new ATOM 0 HD2 ARG B 11 -2.645 -4.710 1.793 1.00 0.55 H new ATOM 0 HD3 ARG B 11 -3.522 -4.555 0.283 1.00 0.55 H new ATOM 0 HE ARG B 11 -2.073 -7.129 0.399 1.00 1.59 H new ATOM 0 HH11 ARG B 11 -4.909 -5.366 1.493 1.00 1.76 H new ATOM 0 HH12 ARG B 11 -5.876 -6.829 1.709 1.00 1.76 H new ATOM 0 HH21 ARG B 11 -3.319 -8.978 0.682 1.00 3.24 H new ATOM 0 HH22 ARG B 11 -4.985 -8.849 1.255 1.00 3.24 H new ATOM 191 N ALA B 12 -2.808 -3.594 -4.392 1.00 0.24 N ATOM 192 CA ALA B 12 -3.165 -2.600 -5.452 1.00 0.28 C ATOM 193 C ALA B 12 -4.608 -2.154 -5.215 1.00 0.31 C ATOM 194 O ALA B 12 -4.991 -1.045 -5.530 1.00 0.33 O ATOM 195 CB ALA B 12 -3.034 -3.352 -6.776 1.00 0.34 C ATOM 0 H ALA B 12 -2.422 -4.477 -4.727 1.00 0.24 H new ATOM 0 HA ALA B 12 -2.530 -1.714 -5.449 1.00 0.28 H new ATOM 0 HB1 ALA B 12 -3.282 -2.683 -7.600 1.00 0.34 H new ATOM 0 HB2 ALA B 12 -2.010 -3.708 -6.892 1.00 0.34 H new ATOM 0 HB3 ALA B 12 -3.717 -4.202 -6.781 1.00 0.34 H new ATOM 201 N GLU B 13 -5.398 -3.011 -4.616 1.00 0.34 N ATOM 202 CA GLU B 13 -6.801 -2.642 -4.303 1.00 0.41 C ATOM 203 C GLU B 13 -6.780 -1.645 -3.148 1.00 0.38 C ATOM 204 O GLU B 13 -7.539 -0.697 -3.116 1.00 0.42 O ATOM 205 CB GLU B 13 -7.485 -3.947 -3.893 1.00 0.48 C ATOM 206 CG GLU B 13 -7.493 -4.911 -5.080 1.00 0.52 C ATOM 207 CD GLU B 13 -8.262 -6.180 -4.706 1.00 0.77 C ATOM 208 OE1 GLU B 13 -8.118 -6.625 -3.579 1.00 1.18 O ATOM 209 OE2 GLU B 13 -8.980 -6.685 -5.553 1.00 1.15 O ATOM 0 H GLU B 13 -5.125 -3.952 -4.332 1.00 0.34 H new ATOM 0 HA GLU B 13 -7.327 -2.181 -5.139 1.00 0.41 H new ATOM 0 HB2 GLU B 13 -6.961 -4.396 -3.049 1.00 0.48 H new ATOM 0 HB3 GLU B 13 -8.505 -3.748 -3.565 1.00 0.48 H new ATOM 0 HG2 GLU B 13 -7.955 -4.435 -5.945 1.00 0.52 H new ATOM 0 HG3 GLU B 13 -6.471 -5.163 -5.363 1.00 0.52 H new ATOM 216 N LYS B 14 -5.875 -1.831 -2.218 1.00 0.33 N ATOM 217 CA LYS B 14 -5.763 -0.868 -1.092 1.00 0.33 C ATOM 218 C LYS B 14 -5.129 0.405 -1.648 1.00 0.28 C ATOM 219 O LYS B 14 -5.520 1.514 -1.342 1.00 0.30 O ATOM 220 CB LYS B 14 -4.838 -1.545 -0.077 1.00 0.31 C ATOM 221 CG LYS B 14 -5.514 -2.803 0.474 1.00 0.38 C ATOM 222 CD LYS B 14 -6.703 -2.407 1.353 1.00 1.23 C ATOM 223 CE LYS B 14 -7.397 -3.669 1.876 1.00 1.37 C ATOM 224 NZ LYS B 14 -8.688 -3.736 1.135 1.00 1.83 N ATOM 0 H LYS B 14 -5.214 -2.607 -2.195 1.00 0.33 H new ATOM 0 HA LYS B 14 -6.715 -0.609 -0.629 1.00 0.33 H new ATOM 0 HB2 LYS B 14 -3.891 -1.806 -0.550 1.00 0.31 H new ATOM 0 HB3 LYS B 14 -4.609 -0.857 0.737 1.00 0.31 H new ATOM 0 HG2 LYS B 14 -5.851 -3.436 -0.347 1.00 0.38 H new ATOM 0 HG3 LYS B 14 -4.799 -3.387 1.054 1.00 0.38 H new ATOM 0 HD2 LYS B 14 -6.363 -1.794 2.188 1.00 1.23 H new ATOM 0 HD3 LYS B 14 -7.407 -1.803 0.780 1.00 1.23 H new ATOM 0 HE2 LYS B 14 -6.791 -4.557 1.694 1.00 1.37 H new ATOM 0 HE3 LYS B 14 -7.562 -3.611 2.952 1.00 1.37 H new ATOM 0 HZ1 LYS B 14 -9.220 -4.576 1.440 1.00 1.83 H new ATOM 0 HZ2 LYS B 14 -9.247 -2.881 1.333 1.00 1.83 H new ATOM 0 HZ3 LYS B 14 -8.500 -3.798 0.114 1.00 1.83 H new ATOM 238 N GLN B 15 -4.160 0.220 -2.495 1.00 0.25 N ATOM 239 CA GLN B 15 -3.459 1.352 -3.149 1.00 0.24 C ATOM 240 C GLN B 15 -4.433 2.132 -4.025 1.00 0.28 C ATOM 241 O GLN B 15 -4.545 3.332 -3.926 1.00 0.28 O ATOM 242 CB GLN B 15 -2.397 0.660 -4.016 1.00 0.24 C ATOM 243 CG GLN B 15 -1.033 0.778 -3.358 1.00 0.25 C ATOM 244 CD GLN B 15 -0.207 -0.462 -3.690 1.00 0.30 C ATOM 245 OE1 GLN B 15 -0.531 -1.597 -3.139 1.00 0.35 O flip ATOM 246 NE2 GLN B 15 0.736 -0.398 -4.453 1.00 0.33 N flip ATOM 0 H GLN B 15 -3.815 -0.700 -2.769 1.00 0.25 H new ATOM 0 HA GLN B 15 -3.033 2.064 -2.441 1.00 0.24 H new ATOM 0 HB2 GLN B 15 -2.655 -0.390 -4.152 1.00 0.24 H new ATOM 0 HB3 GLN B 15 -2.373 1.113 -5.007 1.00 0.24 H new ATOM 0 HG2 GLN B 15 -0.523 1.675 -3.710 1.00 0.25 H new ATOM 0 HG3 GLN B 15 -1.144 0.877 -2.278 1.00 0.25 H new ATOM 0 HE21 GLN B 15 0.986 0.493 -4.882 1.00 0.33 H new ATOM 0 HE22 GLN B 15 1.278 -1.235 -4.665 1.00 0.33 H new ATOM 255 N ALA B 16 -5.135 1.452 -4.880 1.00 0.35 N ATOM 256 CA ALA B 16 -6.104 2.153 -5.771 1.00 0.41 C ATOM 257 C ALA B 16 -7.225 2.773 -4.941 1.00 0.40 C ATOM 258 O ALA B 16 -7.861 3.720 -5.362 1.00 0.43 O ATOM 259 CB ALA B 16 -6.652 1.074 -6.705 1.00 0.48 C ATOM 0 H ALA B 16 -5.083 0.441 -5.004 1.00 0.35 H new ATOM 0 HA ALA B 16 -5.637 2.964 -6.330 1.00 0.41 H new ATOM 0 HB1 ALA B 16 -7.373 1.518 -7.391 1.00 0.48 H new ATOM 0 HB2 ALA B 16 -5.833 0.635 -7.274 1.00 0.48 H new ATOM 0 HB3 ALA B 16 -7.141 0.298 -6.117 1.00 0.48 H new ATOM 265 N GLN B 17 -7.459 2.277 -3.753 1.00 0.40 N ATOM 266 CA GLN B 17 -8.523 2.889 -2.910 1.00 0.42 C ATOM 267 C GLN B 17 -7.939 4.132 -2.267 1.00 0.37 C ATOM 268 O GLN B 17 -8.589 5.146 -2.105 1.00 0.40 O ATOM 269 CB GLN B 17 -8.863 1.834 -1.858 1.00 0.45 C ATOM 270 CG GLN B 17 -10.031 0.974 -2.347 1.00 0.53 C ATOM 271 CD GLN B 17 -11.335 1.488 -1.734 1.00 0.66 C ATOM 272 OE1 GLN B 17 -12.011 2.310 -2.317 1.00 1.06 O ATOM 273 NE2 GLN B 17 -11.717 1.034 -0.571 1.00 1.33 N ATOM 0 H GLN B 17 -6.966 1.487 -3.337 1.00 0.40 H new ATOM 0 HA GLN B 17 -9.416 3.176 -3.466 1.00 0.42 H new ATOM 0 HB2 GLN B 17 -7.993 1.206 -1.664 1.00 0.45 H new ATOM 0 HB3 GLN B 17 -9.124 2.317 -0.916 1.00 0.45 H new ATOM 0 HG2 GLN B 17 -10.090 1.007 -3.435 1.00 0.53 H new ATOM 0 HG3 GLN B 17 -9.871 -0.068 -2.068 1.00 0.53 H new ATOM 0 HE21 GLN B 17 -11.148 0.343 -0.081 1.00 1.33 H new ATOM 0 HE22 GLN B 17 -12.584 1.370 -0.152 1.00 1.33 H new ATOM 282 N TRP B 18 -6.690 4.049 -1.931 1.00 0.32 N ATOM 283 CA TRP B 18 -5.985 5.198 -1.325 1.00 0.30 C ATOM 284 C TRP B 18 -5.634 6.195 -2.420 1.00 0.31 C ATOM 285 O TRP B 18 -5.858 7.383 -2.302 1.00 0.35 O ATOM 286 CB TRP B 18 -4.708 4.585 -0.768 1.00 0.25 C ATOM 287 CG TRP B 18 -3.794 5.669 -0.306 1.00 0.24 C ATOM 288 CD1 TRP B 18 -3.666 6.120 0.958 1.00 0.30 C ATOM 289 CD2 TRP B 18 -2.861 6.422 -1.102 1.00 0.24 C ATOM 290 NE1 TRP B 18 -2.717 7.129 0.972 1.00 0.31 N ATOM 291 CE2 TRP B 18 -2.187 7.342 -0.279 1.00 0.29 C ATOM 292 CE3 TRP B 18 -2.545 6.386 -2.454 1.00 0.28 C ATOM 293 CZ2 TRP B 18 -1.222 8.203 -0.797 1.00 0.34 C ATOM 294 CZ3 TRP B 18 -1.584 7.233 -2.977 1.00 0.36 C ATOM 295 CH2 TRP B 18 -0.923 8.139 -2.160 1.00 0.38 C ATOM 0 H TRP B 18 -6.117 3.214 -2.054 1.00 0.32 H new ATOM 0 HA TRP B 18 -6.572 5.718 -0.568 1.00 0.30 H new ATOM 0 HB2 TRP B 18 -4.944 3.917 0.060 1.00 0.25 H new ATOM 0 HB3 TRP B 18 -4.218 3.983 -1.533 1.00 0.25 H new ATOM 0 HD1 TRP B 18 -4.212 5.756 1.816 1.00 0.30 H new ATOM 0 HE1 TRP B 18 -2.445 7.649 1.806 1.00 0.31 H new ATOM 0 HE3 TRP B 18 -3.055 5.690 -3.104 1.00 0.28 H new ATOM 0 HZ2 TRP B 18 -0.714 8.908 -0.156 1.00 0.34 H new ATOM 0 HZ3 TRP B 18 -1.346 7.189 -4.030 1.00 0.36 H new ATOM 0 HH2 TRP B 18 -0.175 8.796 -2.579 1.00 0.38 H new ATOM 306 N LYS B 19 -5.079 5.697 -3.485 1.00 0.30 N ATOM 307 CA LYS B 19 -4.691 6.578 -4.614 1.00 0.37 C ATOM 308 C LYS B 19 -5.922 7.322 -5.076 1.00 0.46 C ATOM 309 O LYS B 19 -5.864 8.475 -5.460 1.00 0.70 O ATOM 310 CB LYS B 19 -4.183 5.644 -5.714 1.00 0.40 C ATOM 311 CG LYS B 19 -2.791 5.118 -5.361 1.00 0.49 C ATOM 312 CD LYS B 19 -2.242 4.305 -6.533 1.00 0.96 C ATOM 313 CE LYS B 19 -1.262 3.257 -6.005 1.00 1.30 C ATOM 314 NZ LYS B 19 0.016 3.994 -5.819 1.00 1.92 N ATOM 0 H LYS B 19 -4.876 4.707 -3.622 1.00 0.30 H new ATOM 0 HA LYS B 19 -3.928 7.308 -4.343 1.00 0.37 H new ATOM 0 HB2 LYS B 19 -4.873 4.810 -5.840 1.00 0.40 H new ATOM 0 HB3 LYS B 19 -4.148 6.176 -6.665 1.00 0.40 H new ATOM 0 HG2 LYS B 19 -2.123 5.949 -5.136 1.00 0.49 H new ATOM 0 HG3 LYS B 19 -2.841 4.498 -4.466 1.00 0.49 H new ATOM 0 HD2 LYS B 19 -3.058 3.820 -7.068 1.00 0.96 H new ATOM 0 HD3 LYS B 19 -1.741 4.962 -7.244 1.00 0.96 H new ATOM 0 HE2 LYS B 19 -1.611 2.826 -5.066 1.00 1.30 H new ATOM 0 HE3 LYS B 19 -1.145 2.434 -6.710 1.00 1.30 H new ATOM 0 HZ1 LYS B 19 0.790 3.315 -5.673 1.00 1.92 H new ATOM 0 HZ2 LYS B 19 0.213 4.567 -6.665 1.00 1.92 H new ATOM 0 HZ3 LYS B 19 -0.060 4.616 -4.989 1.00 1.92 H new ATOM 328 N ALA B 20 -7.049 6.670 -5.023 1.00 0.44 N ATOM 329 CA ALA B 20 -8.291 7.349 -5.441 1.00 0.52 C ATOM 330 C ALA B 20 -8.547 8.546 -4.526 1.00 0.56 C ATOM 331 O ALA B 20 -9.122 9.540 -4.927 1.00 0.74 O ATOM 332 CB ALA B 20 -9.397 6.316 -5.278 1.00 0.55 C ATOM 0 H ALA B 20 -7.157 5.705 -4.710 1.00 0.44 H new ATOM 0 HA ALA B 20 -8.237 7.717 -6.465 1.00 0.52 H new ATOM 0 HB1 ALA B 20 -10.351 6.755 -5.572 1.00 0.55 H new ATOM 0 HB2 ALA B 20 -9.185 5.453 -5.909 1.00 0.55 H new ATOM 0 HB3 ALA B 20 -9.449 6.000 -4.236 1.00 0.55 H new ATOM 338 N ALA B 21 -8.120 8.451 -3.294 1.00 0.54 N ATOM 339 CA ALA B 21 -8.331 9.577 -2.343 1.00 0.66 C ATOM 340 C ALA B 21 -6.992 10.131 -1.873 1.00 0.73 C ATOM 341 O ALA B 21 -6.866 10.652 -0.782 1.00 0.99 O ATOM 342 CB ALA B 21 -9.111 8.977 -1.175 1.00 0.71 C ATOM 0 H ALA B 21 -7.635 7.642 -2.907 1.00 0.54 H new ATOM 0 HA ALA B 21 -8.869 10.406 -2.802 1.00 0.66 H new ATOM 0 HB1 ALA B 21 -9.304 9.750 -0.431 1.00 0.71 H new ATOM 0 HB2 ALA B 21 -10.058 8.577 -1.537 1.00 0.71 H new ATOM 0 HB3 ALA B 21 -8.528 8.175 -0.722 1.00 0.71 H new ATOM 348 N ASN B 22 -6.004 10.043 -2.708 1.00 0.73 N ATOM 349 CA ASN B 22 -4.662 10.585 -2.344 1.00 0.88 C ATOM 350 C ASN B 22 -3.867 10.977 -3.591 1.00 1.08 C ATOM 351 O ASN B 22 -2.713 10.622 -3.726 1.00 0.00 O ATOM 352 CB ASN B 22 -3.942 9.478 -1.587 1.00 0.93 C ATOM 353 CG ASN B 22 -4.567 9.334 -0.203 1.00 0.94 C ATOM 354 OD1 ASN B 22 -5.133 8.213 0.115 1.00 1.13 O flip ATOM 355 ND2 ASN B 22 -4.538 10.252 0.593 1.00 0.94 N flip ATOM 0 H ASN B 22 -6.062 9.618 -3.633 1.00 0.73 H new ATOM 0 HA ASN B 22 -4.763 11.485 -1.738 1.00 0.88 H new ATOM 0 HB2 ASN B 22 -4.017 8.538 -2.134 1.00 0.93 H new ATOM 0 HB3 ASN B 22 -2.881 9.711 -1.498 1.00 0.93 H new ATOM 0 HD21 ASN B 22 -4.091 11.133 0.339 1.00 0.94 H new ATOM 0 HD22 ASN B 22 -4.960 10.141 1.515 1.00 0.94 H new ATOM 362 N PRO B 23 -4.497 11.739 -4.442 1.00 0.00 N ATOM 363 CA PRO B 23 -3.820 12.230 -5.655 1.00 0.00 C ATOM 364 C PRO B 23 -2.783 13.251 -5.198 1.00 0.00 C ATOM 365 O PRO B 23 -1.781 13.486 -5.845 1.00 0.00 O ATOM 366 CB PRO B 23 -4.943 12.872 -6.469 1.00 0.00 C ATOM 367 CG PRO B 23 -5.987 13.224 -5.462 1.00 0.00 C ATOM 368 CD PRO B 23 -5.869 12.219 -4.345 1.00 0.00 C ATOM 0 HA PRO B 23 -3.305 11.473 -6.246 1.00 0.00 H new ATOM 0 HB2 PRO B 23 -4.591 13.756 -7.000 1.00 0.00 H new ATOM 0 HB3 PRO B 23 -5.332 12.183 -7.219 1.00 0.00 H new ATOM 0 HG2 PRO B 23 -5.838 14.237 -5.088 1.00 0.00 H new ATOM 0 HG3 PRO B 23 -6.981 13.192 -5.908 1.00 0.00 H new ATOM 0 HD2 PRO B 23 -6.064 12.677 -3.375 1.00 0.00 H new ATOM 0 HD3 PRO B 23 -6.585 11.406 -4.463 1.00 0.00 H new ATOM 376 N LEU B 24 -3.020 13.828 -4.047 1.00 0.00 N ATOM 377 CA LEU B 24 -2.061 14.811 -3.473 1.00 0.00 C ATOM 378 C LEU B 24 -0.736 14.103 -3.195 1.00 0.00 C ATOM 379 O LEU B 24 0.335 14.646 -3.388 1.00 0.00 O ATOM 380 CB LEU B 24 -2.730 15.305 -2.171 1.00 0.00 C ATOM 381 CG LEU B 24 -2.318 14.442 -0.956 1.00 0.00 C ATOM 382 CD1 LEU B 24 -2.694 15.176 0.333 1.00 0.00 C ATOM 383 CD2 LEU B 24 -3.040 13.082 -0.987 1.00 0.00 C ATOM 0 H LEU B 24 -3.848 13.655 -3.477 1.00 0.00 H new ATOM 0 HA LEU B 24 -1.843 15.647 -4.137 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -2.453 16.344 -1.991 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -3.814 15.279 -2.286 1.00 0.00 H new ATOM 0 HG LEU B 24 -1.242 14.272 -0.996 1.00 0.00 H new ATOM 0 HD11 LEU B 24 -2.406 14.572 1.193 1.00 0.00 H new ATOM 0 HD12 LEU B 24 -2.174 16.133 0.371 1.00 0.00 H new ATOM 0 HD13 LEU B 24 -3.770 15.347 0.354 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -2.737 12.489 -0.124 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -4.118 13.242 -0.957 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -2.777 12.551 -1.902 1.00 0.00 H new ATOM 395 N LEU B 25 -0.817 12.870 -2.778 1.00 0.00 N ATOM 396 CA LEU B 25 0.406 12.067 -2.518 1.00 0.00 C ATOM 397 C LEU B 25 0.635 11.201 -3.744 1.00 0.00 C ATOM 398 O LEU B 25 1.074 10.071 -3.674 1.00 0.00 O ATOM 399 CB LEU B 25 0.061 11.209 -1.302 1.00 0.00 C ATOM 400 CG LEU B 25 0.387 11.976 -0.019 1.00 0.00 C ATOM 401 CD1 LEU B 25 -0.556 11.524 1.099 1.00 0.00 C ATOM 402 CD2 LEU B 25 1.834 11.693 0.392 1.00 0.00 C ATOM 0 H LEU B 25 -1.694 12.379 -2.604 1.00 0.00 H new ATOM 0 HA LEU B 25 1.303 12.658 -2.332 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -0.996 10.944 -1.320 1.00 0.00 H new ATOM 0 HB3 LEU B 25 0.624 10.276 -1.332 1.00 0.00 H new ATOM 0 HG LEU B 25 0.260 13.044 -0.193 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -0.324 12.070 2.013 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -1.587 11.724 0.808 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -0.429 10.455 1.272 1.00 0.00 H new ATOM 0 HD21 LEU B 25 2.066 12.240 1.306 1.00 0.00 H new ATOM 0 HD22 LEU B 25 1.960 10.624 0.566 1.00 0.00 H new ATOM 0 HD23 LEU B 25 2.507 12.013 -0.403 1.00 0.00 H new ATOM 414 N VAL B 26 0.285 11.743 -4.864 1.00 0.00 N ATOM 415 CA VAL B 26 0.394 11.017 -6.144 1.00 0.00 C ATOM 416 C VAL B 26 0.770 12.019 -7.243 1.00 0.00 C ATOM 417 O VAL B 26 0.428 13.182 -7.163 1.00 0.00 O ATOM 418 CB VAL B 26 -1.025 10.447 -6.316 1.00 0.00 C ATOM 419 CG1 VAL B 26 -1.496 10.593 -7.760 1.00 0.00 C ATOM 420 CG2 VAL B 26 -1.029 8.969 -5.913 1.00 0.00 C ATOM 0 H VAL B 26 -0.084 12.690 -4.947 1.00 0.00 H new ATOM 0 HA VAL B 26 1.152 10.235 -6.184 1.00 0.00 H new ATOM 0 HB VAL B 26 -1.709 11.005 -5.676 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -2.501 10.183 -7.858 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -1.506 11.648 -8.035 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -0.818 10.052 -8.420 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -2.033 8.562 -6.034 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -0.335 8.417 -6.547 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -0.722 8.875 -4.871 1.00 0.00 H new ATOM 430 N GLY B 27 1.478 11.588 -8.257 1.00 0.00 N ATOM 431 CA GLY B 27 1.884 12.529 -9.350 1.00 0.00 C ATOM 432 C GLY B 27 0.669 13.328 -9.829 1.00 0.00 C ATOM 433 O GLY B 27 -0.076 12.886 -10.681 1.00 0.00 O ATOM 0 H GLY B 27 1.793 10.625 -8.377 1.00 0.00 H new ATOM 0 HA2 GLY B 27 2.657 13.208 -8.989 1.00 0.00 H new ATOM 0 HA3 GLY B 27 2.313 11.970 -10.182 1.00 0.00 H new ATOM 437 N VAL B 28 0.456 14.499 -9.276 1.00 0.00 N ATOM 438 CA VAL B 28 -0.723 15.321 -9.688 1.00 0.00 C ATOM 439 C VAL B 28 -1.986 14.470 -9.623 1.00 0.00 C ATOM 440 O VAL B 28 -2.134 13.637 -8.751 1.00 0.00 O ATOM 441 CB VAL B 28 -0.435 15.782 -11.120 1.00 0.00 C ATOM 442 CG1 VAL B 28 -1.385 16.931 -11.470 1.00 0.00 C ATOM 443 CG2 VAL B 28 1.013 16.273 -11.229 1.00 0.00 C ATOM 0 H VAL B 28 1.047 14.919 -8.559 1.00 0.00 H new ATOM 0 HA VAL B 28 -0.880 16.178 -9.033 1.00 0.00 H new ATOM 0 HB VAL B 28 -0.582 14.949 -11.807 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -1.189 17.268 -12.488 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -2.416 16.586 -11.394 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -1.227 17.758 -10.778 1.00 0.00 H new ATOM 0 HG21 VAL B 28 1.211 16.599 -12.250 1.00 0.00 H new ATOM 0 HG22 VAL B 28 1.167 17.108 -10.545 1.00 0.00 H new ATOM 0 HG23 VAL B 28 1.693 15.462 -10.969 1.00 0.00 H new ATOM 453 N SER B 29 -2.894 14.668 -10.526 1.00 0.00 N ATOM 454 CA SER B 29 -4.142 13.866 -10.509 1.00 0.00 C ATOM 455 C SER B 29 -3.852 12.435 -10.975 1.00 0.00 C ATOM 456 O SER B 29 -4.522 11.908 -11.842 1.00 0.00 O ATOM 457 CB SER B 29 -5.086 14.569 -11.484 1.00 0.00 C ATOM 458 OG SER B 29 -6.241 13.763 -11.682 1.00 0.00 O ATOM 0 H SER B 29 -2.827 15.353 -11.279 1.00 0.00 H new ATOM 0 HA SER B 29 -4.574 13.796 -9.511 1.00 0.00 H new ATOM 0 HB2 SER B 29 -5.372 15.545 -11.092 1.00 0.00 H new ATOM 0 HB3 SER B 29 -4.582 14.743 -12.435 1.00 0.00 H new ATOM 0 HG SER B 29 -5.978 12.908 -12.082 1.00 0.00 H new ATOM 464 N ALA B 30 -2.851 11.807 -10.405 1.00 0.00 N ATOM 465 CA ALA B 30 -2.492 10.411 -10.804 1.00 0.00 C ATOM 466 C ALA B 30 -2.505 10.267 -12.330 1.00 0.00 C ATOM 467 O ALA B 30 -3.406 9.685 -12.902 1.00 0.00 O ATOM 468 CB ALA B 30 -3.556 9.523 -10.158 1.00 0.00 C ATOM 0 H ALA B 30 -2.263 12.207 -9.674 1.00 0.00 H new ATOM 0 HA ALA B 30 -1.489 10.136 -10.479 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -3.359 8.480 -10.406 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -3.528 9.650 -9.076 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -4.541 9.805 -10.531 1.00 0.00 H new ATOM 474 N LYS B 31 -1.510 10.801 -12.990 1.00 0.00 N ATOM 475 CA LYS B 31 -1.458 10.706 -14.478 1.00 0.00 C ATOM 476 C LYS B 31 -0.206 9.934 -14.917 1.00 0.00 C ATOM 477 O LYS B 31 0.874 10.178 -14.416 1.00 0.00 O ATOM 478 CB LYS B 31 -1.404 12.155 -14.978 1.00 0.00 C ATOM 479 CG LYS B 31 -0.289 12.922 -14.258 1.00 0.00 C ATOM 480 CD LYS B 31 -0.035 14.249 -14.976 1.00 0.00 C ATOM 481 CE LYS B 31 0.773 13.995 -16.251 1.00 0.00 C ATOM 482 NZ LYS B 31 0.192 14.919 -17.264 1.00 0.00 N ATOM 0 H LYS B 31 -0.730 11.299 -12.561 1.00 0.00 H new ATOM 0 HA LYS B 31 -2.318 10.173 -14.884 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -1.230 12.170 -16.054 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -2.363 12.644 -14.804 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -0.571 13.106 -13.221 1.00 0.00 H new ATOM 0 HG3 LYS B 31 0.623 12.326 -14.240 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -0.983 14.728 -15.223 1.00 0.00 H new ATOM 0 HD3 LYS B 31 0.506 14.931 -14.320 1.00 0.00 H new ATOM 0 HE2 LYS B 31 1.833 14.197 -16.094 1.00 0.00 H new ATOM 0 HE3 LYS B 31 0.690 12.956 -16.571 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 0.694 14.804 -18.167 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -0.816 14.699 -17.397 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 0.291 15.901 -16.936 1.00 0.00 H new ATOM 496 N PRO B 32 -0.389 9.020 -15.836 1.00 0.00 N ATOM 497 CA PRO B 32 0.750 8.213 -16.330 1.00 0.00 C ATOM 498 C PRO B 32 1.605 9.029 -17.301 1.00 0.00 C ATOM 499 O PRO B 32 1.459 10.229 -17.417 1.00 0.00 O ATOM 500 CB PRO B 32 0.080 7.047 -17.051 1.00 0.00 C ATOM 501 CG PRO B 32 -1.268 7.557 -17.459 1.00 0.00 C ATOM 502 CD PRO B 32 -1.651 8.652 -16.494 1.00 0.00 C ATOM 0 HA PRO B 32 1.419 7.889 -15.533 1.00 0.00 H new ATOM 0 HB2 PRO B 32 0.661 6.735 -17.918 1.00 0.00 H new ATOM 0 HB3 PRO B 32 -0.009 6.179 -16.397 1.00 0.00 H new ATOM 0 HG2 PRO B 32 -1.241 7.938 -18.480 1.00 0.00 H new ATOM 0 HG3 PRO B 32 -2.004 6.753 -17.438 1.00 0.00 H new ATOM 0 HD2 PRO B 32 -2.091 9.503 -17.014 1.00 0.00 H new ATOM 0 HD3 PRO B 32 -2.389 8.304 -15.771 1.00 0.00 H new ATOM 510 N VAL B 33 2.497 8.380 -18.000 1.00 0.00 N ATOM 511 CA VAL B 33 3.367 9.107 -18.970 1.00 0.00 C ATOM 512 C VAL B 33 2.809 8.961 -20.389 1.00 0.00 C ATOM 513 O VAL B 33 1.644 8.674 -20.581 1.00 0.00 O ATOM 514 CB VAL B 33 4.741 8.440 -18.850 1.00 0.00 C ATOM 515 CG1 VAL B 33 5.266 8.614 -17.424 1.00 0.00 C ATOM 516 CG2 VAL B 33 4.625 6.946 -19.170 1.00 0.00 C ATOM 0 H VAL B 33 2.661 7.375 -17.941 1.00 0.00 H new ATOM 0 HA VAL B 33 3.420 10.176 -18.762 1.00 0.00 H new ATOM 0 HB VAL B 33 5.429 8.906 -19.555 1.00 0.00 H new ATOM 0 HG11 VAL B 33 6.244 8.140 -17.336 1.00 0.00 H new ATOM 0 HG12 VAL B 33 5.356 9.676 -17.196 1.00 0.00 H new ATOM 0 HG13 VAL B 33 4.573 8.150 -16.722 1.00 0.00 H new ATOM 0 HG21 VAL B 33 5.606 6.478 -19.083 1.00 0.00 H new ATOM 0 HG22 VAL B 33 3.935 6.476 -18.469 1.00 0.00 H new ATOM 0 HG23 VAL B 33 4.252 6.819 -20.186 1.00 0.00 H new ATOM 526 N ASN B 34 3.631 9.158 -21.385 1.00 0.00 N ATOM 527 CA ASN B 34 3.147 9.033 -22.791 1.00 0.00 C ATOM 528 C ASN B 34 4.194 8.320 -23.650 1.00 0.00 C ATOM 529 O ASN B 34 5.153 7.769 -23.148 1.00 0.00 O ATOM 530 CB ASN B 34 2.947 10.471 -23.271 1.00 0.00 C ATOM 531 CG ASN B 34 1.747 11.087 -22.549 1.00 0.00 C ATOM 532 OD1 ASN B 34 1.901 11.725 -21.526 1.00 0.00 O ATOM 533 ND2 ASN B 34 0.551 10.922 -23.042 1.00 0.00 N ATOM 0 H ASN B 34 4.617 9.400 -21.286 1.00 0.00 H new ATOM 0 HA ASN B 34 2.229 8.449 -22.861 1.00 0.00 H new ATOM 0 HB2 ASN B 34 3.844 11.059 -23.076 1.00 0.00 H new ATOM 0 HB3 ASN B 34 2.784 10.487 -24.349 1.00 0.00 H new ATOM 0 HD21 ASN B 34 -0.256 11.329 -22.569 1.00 0.00 H new ATOM 0 HD22 ASN B 34 0.423 10.386 -23.901 1.00 0.00 H new ATOM 540 N ARG B 35 4.013 8.325 -24.946 1.00 0.00 N ATOM 541 CA ARG B 35 4.992 7.648 -25.851 1.00 0.00 C ATOM 542 C ARG B 35 5.218 6.195 -25.405 1.00 0.00 C ATOM 543 O ARG B 35 6.305 5.835 -24.999 1.00 0.00 O ATOM 544 CB ARG B 35 6.286 8.458 -25.722 1.00 0.00 C ATOM 545 CG ARG B 35 6.040 9.898 -26.183 1.00 0.00 C ATOM 546 CD ARG B 35 6.813 10.864 -25.281 1.00 0.00 C ATOM 547 NE ARG B 35 6.141 12.184 -25.461 1.00 0.00 N ATOM 548 CZ ARG B 35 6.419 13.189 -24.666 1.00 0.00 C ATOM 549 NH1 ARG B 35 7.292 13.054 -23.699 1.00 0.00 N ATOM 550 NH2 ARG B 35 5.821 14.335 -24.841 1.00 0.00 N ATOM 0 H ARG B 35 3.226 8.770 -25.419 1.00 0.00 H new ATOM 0 HA ARG B 35 4.638 7.610 -26.881 1.00 0.00 H new ATOM 0 HB2 ARG B 35 6.630 8.450 -24.688 1.00 0.00 H new ATOM 0 HB3 ARG B 35 7.073 8.003 -26.323 1.00 0.00 H new ATOM 0 HG2 ARG B 35 6.358 10.018 -27.219 1.00 0.00 H new ATOM 0 HG3 ARG B 35 4.974 10.125 -26.148 1.00 0.00 H new ATOM 0 HD2 ARG B 35 6.780 10.543 -24.240 1.00 0.00 H new ATOM 0 HD3 ARG B 35 7.864 10.914 -25.566 1.00 0.00 H new ATOM 0 HE ARG B 35 5.459 12.306 -26.210 1.00 0.00 H new ATOM 0 HH11 ARG B 35 7.763 12.160 -23.558 1.00 0.00 H new ATOM 0 HH12 ARG B 35 7.501 13.842 -23.087 1.00 0.00 H new ATOM 0 HH21 ARG B 35 5.141 14.446 -25.593 1.00 0.00 H new ATOM 0 HH22 ARG B 35 6.033 15.120 -24.226 1.00 0.00 H new ATOM 564 N PRO B 36 4.176 5.404 -25.494 1.00 0.00 N ATOM 565 CA PRO B 36 4.271 3.980 -25.092 1.00 0.00 C ATOM 566 C PRO B 36 5.058 3.182 -26.136 1.00 0.00 C ATOM 567 O PRO B 36 5.594 3.798 -27.042 1.00 0.00 O ATOM 568 CB PRO B 36 2.818 3.521 -25.044 1.00 0.00 C ATOM 569 CG PRO B 36 2.089 4.443 -25.971 1.00 0.00 C ATOM 570 CD PRO B 36 2.831 5.755 -25.969 1.00 0.00 C ATOM 571 OXT PRO B 36 5.109 1.970 -26.012 1.00 0.00 O ATOM 0 HA PRO B 36 4.789 3.838 -24.144 1.00 0.00 H new ATOM 0 HB2 PRO B 36 2.721 2.483 -25.363 1.00 0.00 H new ATOM 0 HB3 PRO B 36 2.418 3.582 -24.032 1.00 0.00 H new ATOM 0 HG2 PRO B 36 2.049 4.025 -26.977 1.00 0.00 H new ATOM 0 HG3 PRO B 36 1.059 4.583 -25.643 1.00 0.00 H new ATOM 0 HD2 PRO B 36 2.862 6.197 -26.965 1.00 0.00 H new ATOM 0 HD3 PRO B 36 2.353 6.482 -25.313 1.00 0.00 H new TER 579 PRO B 36 ATOM 580 P G A 1 15.189 -16.919 2.626 1.00 1.31 P ATOM 581 OP1 G A 1 14.881 -18.343 2.917 1.00 1.51 O ATOM 582 OP2 G A 1 16.385 -16.579 1.815 1.00 1.52 O ATOM 583 O5' G A 1 13.911 -16.270 1.929 1.00 1.09 O ATOM 584 C5' G A 1 12.927 -15.560 2.705 1.00 1.03 C ATOM 585 C4' G A 1 11.939 -16.530 3.307 1.00 0.94 C ATOM 586 O4' G A 1 12.112 -16.527 4.745 1.00 1.02 O ATOM 587 C3' G A 1 10.481 -16.157 3.101 1.00 0.80 C ATOM 588 O3' G A 1 10.000 -16.690 1.870 1.00 0.75 O ATOM 589 C2' G A 1 9.788 -16.814 4.291 1.00 0.78 C ATOM 590 O2' G A 1 9.441 -18.164 4.049 1.00 0.77 O ATOM 591 C1' G A 1 10.862 -16.734 5.375 1.00 0.90 C ATOM 592 N9 G A 1 10.615 -15.619 6.278 1.00 0.90 N ATOM 593 C8 G A 1 11.185 -14.370 6.232 1.00 0.97 C ATOM 594 N7 G A 1 10.736 -13.571 7.160 1.00 0.99 N ATOM 595 C5 G A 1 9.819 -14.341 7.860 1.00 0.90 C ATOM 596 C6 G A 1 9.012 -14.013 8.973 1.00 0.88 C ATOM 597 O6 G A 1 8.947 -12.943 9.578 1.00 0.94 O ATOM 598 N1 G A 1 8.221 -15.088 9.372 1.00 0.82 N ATOM 599 C2 G A 1 8.215 -16.323 8.768 1.00 0.81 C ATOM 600 N2 G A 1 7.385 -17.238 9.295 1.00 0.83 N ATOM 601 N3 G A 1 8.965 -16.639 7.727 1.00 0.83 N ATOM 602 C4 G A 1 9.737 -15.608 7.329 1.00 0.86 C ATOM 0 H5' G A 1 12.404 -14.842 2.073 1.00 1.03 H new ATOM 0 H5'' G A 1 13.417 -14.992 3.495 1.00 1.03 H new ATOM 0 H4' G A 1 12.138 -17.483 2.816 1.00 0.94 H new ATOM 0 H3' G A 1 10.309 -15.082 3.048 1.00 0.80 H new ATOM 0 H2' G A 1 8.845 -16.327 4.541 1.00 0.78 H new ATOM 0 HO2' G A 1 9.494 -18.348 3.088 1.00 0.77 H new ATOM 0 H1' G A 1 10.850 -17.660 5.950 1.00 0.90 H new ATOM 0 H8 G A 1 11.928 -14.080 5.503 1.00 0.97 H new ATOM 0 H1 G A 1 7.601 -14.949 10.170 1.00 0.82 H new ATOM 0 H21 G A 1 7.335 -18.173 8.891 1.00 0.83 H new ATOM 0 H22 G A 1 6.805 -16.997 10.099 1.00 0.83 H new ATOM 614 P C A 2 8.653 -16.103 1.222 1.00 0.69 P ATOM 615 OP1 C A 2 8.329 -16.905 0.014 1.00 0.84 O ATOM 616 OP2 C A 2 8.820 -14.632 1.103 1.00 0.82 O ATOM 617 O5' C A 2 7.541 -16.388 2.326 1.00 0.58 O ATOM 618 C5' C A 2 6.796 -17.620 2.324 1.00 0.57 C ATOM 619 C4' C A 2 5.456 -17.415 2.988 1.00 0.55 C ATOM 620 O4' C A 2 5.673 -17.150 4.395 1.00 0.54 O ATOM 621 C3' C A 2 4.695 -16.196 2.498 1.00 0.51 C ATOM 622 O3' C A 2 3.916 -16.524 1.349 1.00 0.59 O ATOM 623 C2' C A 2 3.802 -15.853 3.685 1.00 0.53 C ATOM 624 O2' C A 2 2.581 -16.568 3.677 1.00 0.67 O ATOM 625 C1' C A 2 4.656 -16.293 4.878 1.00 0.51 C ATOM 626 N1 C A 2 5.297 -15.168 5.574 1.00 0.45 N ATOM 627 C2 C A 2 4.733 -14.719 6.767 1.00 0.44 C ATOM 628 O2 C A 2 3.714 -15.283 7.193 1.00 0.49 O ATOM 629 N3 C A 2 5.307 -13.688 7.426 1.00 0.43 N ATOM 630 C4 C A 2 6.403 -13.110 6.932 1.00 0.45 C ATOM 631 N4 C A 2 6.937 -12.095 7.616 1.00 0.49 N ATOM 632 C5 C A 2 7.000 -13.548 5.714 1.00 0.47 C ATOM 633 C6 C A 2 6.422 -14.572 5.072 1.00 0.46 C ATOM 0 H5' C A 2 7.356 -18.394 2.849 1.00 0.57 H new ATOM 0 H5'' C A 2 6.654 -17.967 1.301 1.00 0.57 H new ATOM 0 H4' C A 2 4.887 -18.318 2.766 1.00 0.55 H new ATOM 0 H3' C A 2 5.339 -15.371 2.196 1.00 0.51 H new ATOM 0 H2' C A 2 3.512 -14.802 3.691 1.00 0.53 H new ATOM 0 HO2' C A 2 2.061 -16.319 2.884 1.00 0.67 H new ATOM 0 H1' C A 2 3.997 -16.786 5.592 1.00 0.51 H new ATOM 0 H41 C A 2 7.775 -11.630 7.267 1.00 0.49 H new ATOM 0 H42 C A 2 6.507 -11.785 8.487 1.00 0.49 H new ATOM 0 H5 C A 2 7.887 -13.071 5.323 1.00 0.47 H new ATOM 0 H6 C A 2 6.849 -14.931 4.147 1.00 0.46 H new ATOM 645 P C A 3 2.924 -15.428 0.717 1.00 0.67 P ATOM 646 OP1 C A 3 2.277 -16.045 -0.467 1.00 1.00 O ATOM 647 OP2 C A 3 3.672 -14.154 0.564 1.00 1.20 O ATOM 648 O5' C A 3 1.810 -15.224 1.838 1.00 0.89 O ATOM 649 C5' C A 3 1.292 -13.915 2.140 1.00 0.68 C ATOM 650 C4' C A 3 0.790 -13.871 3.565 1.00 0.61 C ATOM 651 O4' C A 3 1.932 -13.868 4.454 1.00 0.67 O ATOM 652 C3' C A 3 0.022 -12.612 3.925 1.00 0.56 C ATOM 653 O3' C A 3 -1.362 -12.769 3.627 1.00 0.57 O ATOM 654 C2' C A 3 0.249 -12.487 5.426 1.00 0.57 C ATOM 655 O2' C A 3 -0.686 -13.230 6.184 1.00 0.64 O ATOM 656 C1' C A 3 1.649 -13.081 5.596 1.00 0.62 C ATOM 657 N1 C A 3 2.693 -12.052 5.702 1.00 0.61 N ATOM 658 C2 C A 3 2.726 -11.238 6.836 1.00 0.56 C ATOM 659 O2 C A 3 1.872 -11.408 7.718 1.00 0.55 O ATOM 660 N3 C A 3 3.684 -10.288 6.943 1.00 0.58 N ATOM 661 C4 C A 3 4.584 -10.138 5.969 1.00 0.65 C ATOM 662 N4 C A 3 5.512 -9.189 6.115 1.00 0.71 N ATOM 663 C5 C A 3 4.573 -10.956 4.802 1.00 0.71 C ATOM 664 C6 C A 3 3.620 -11.892 4.708 1.00 0.68 C ATOM 0 H5' C A 3 0.482 -13.669 1.453 1.00 0.68 H new ATOM 0 H5'' C A 3 2.070 -13.165 1.997 1.00 0.68 H new ATOM 0 H4' C A 3 0.129 -14.732 3.663 1.00 0.61 H new ATOM 0 H3' C A 3 0.347 -11.731 3.371 1.00 0.56 H new ATOM 0 H2' C A 3 0.141 -11.460 5.775 1.00 0.57 H new ATOM 0 HO2' C A 3 -1.440 -13.486 5.613 1.00 0.64 H new ATOM 0 H1' C A 3 1.654 -13.662 6.518 1.00 0.62 H new ATOM 0 H41 C A 3 6.215 -9.047 5.390 1.00 0.71 H new ATOM 0 H42 C A 3 5.518 -8.606 6.952 1.00 0.71 H new ATOM 0 H5 C A 3 5.307 -10.826 4.021 1.00 0.71 H new ATOM 0 H6 C A 3 3.582 -12.529 3.837 1.00 0.68 H new ATOM 676 P C A 4 -2.190 -11.531 3.024 1.00 0.57 P ATOM 677 OP1 C A 4 -3.543 -12.031 2.676 1.00 0.60 O ATOM 678 OP2 C A 4 -1.356 -10.884 1.979 1.00 0.73 O ATOM 679 O5' C A 4 -2.335 -10.530 4.255 1.00 0.61 O ATOM 680 C5' C A 4 -3.352 -10.738 5.253 1.00 0.51 C ATOM 681 C4' C A 4 -3.152 -9.794 6.418 1.00 0.47 C ATOM 682 O4' C A 4 -1.807 -9.951 6.929 1.00 0.55 O ATOM 683 C3' C A 4 -3.220 -8.318 6.073 1.00 0.45 C ATOM 684 O3' C A 4 -4.582 -7.883 5.986 1.00 0.51 O ATOM 685 C2' C A 4 -2.446 -7.674 7.222 1.00 0.47 C ATOM 686 O2' C A 4 -3.224 -7.425 8.376 1.00 0.57 O ATOM 687 C1' C A 4 -1.392 -8.739 7.536 1.00 0.48 C ATOM 688 N1 C A 4 -0.068 -8.386 7.005 1.00 0.43 N ATOM 689 C2 C A 4 0.659 -7.378 7.640 1.00 0.39 C ATOM 690 O2 C A 4 0.166 -6.816 8.629 1.00 0.43 O ATOM 691 N3 C A 4 1.876 -7.042 7.162 1.00 0.38 N ATOM 692 C4 C A 4 2.366 -7.672 6.093 1.00 0.45 C ATOM 693 N4 C A 4 3.565 -7.311 5.652 1.00 0.51 N ATOM 694 C5 C A 4 1.647 -8.700 5.429 1.00 0.51 C ATOM 695 C6 C A 4 0.444 -9.023 5.910 1.00 0.48 C ATOM 0 H5' C A 4 -3.320 -11.770 5.604 1.00 0.51 H new ATOM 0 H5'' C A 4 -4.338 -10.581 4.815 1.00 0.51 H new ATOM 0 H4' C A 4 -3.956 -10.051 7.107 1.00 0.47 H new ATOM 0 H3' C A 4 -2.798 -8.057 5.103 1.00 0.45 H new ATOM 0 H2' C A 4 -2.062 -6.693 6.941 1.00 0.47 H new ATOM 0 HO2' C A 4 -3.623 -8.264 8.689 1.00 0.57 H new ATOM 0 H1' C A 4 -1.305 -8.827 8.619 1.00 0.48 H new ATOM 0 H41 C A 4 3.969 -7.773 4.837 1.00 0.51 H new ATOM 0 H42 C A 4 4.082 -6.572 6.128 1.00 0.51 H new ATOM 0 H5 C A 4 2.058 -9.203 4.566 1.00 0.51 H new ATOM 0 H6 C A 4 -0.132 -9.798 5.427 1.00 0.48 H new ATOM 707 P U A 5 -5.472 -7.717 7.314 1.00 0.57 P ATOM 708 OP1 U A 5 -4.981 -8.666 8.346 1.00 0.77 O ATOM 709 OP2 U A 5 -6.896 -7.763 6.898 1.00 0.62 O ATOM 710 O5' U A 5 -5.152 -6.230 7.784 1.00 0.49 O ATOM 711 C5' U A 5 -4.377 -5.349 6.947 1.00 0.45 C ATOM 712 C4' U A 5 -3.636 -4.345 7.796 1.00 0.41 C ATOM 713 O4' U A 5 -2.295 -4.841 8.016 1.00 0.47 O ATOM 714 C3' U A 5 -3.401 -2.992 7.145 1.00 0.35 C ATOM 715 O3' U A 5 -4.525 -2.135 7.330 1.00 0.36 O ATOM 716 C2' U A 5 -2.192 -2.464 7.909 1.00 0.41 C ATOM 717 O2' U A 5 -2.548 -1.785 9.097 1.00 0.50 O ATOM 718 C1' U A 5 -1.431 -3.748 8.245 1.00 0.43 C ATOM 719 N1 U A 5 -0.234 -3.913 7.412 1.00 0.43 N ATOM 720 C2 U A 5 0.808 -3.050 7.648 1.00 0.40 C ATOM 721 O2 U A 5 0.762 -2.185 8.509 1.00 0.39 O ATOM 722 N3 U A 5 1.903 -3.232 6.845 1.00 0.43 N ATOM 723 C4 U A 5 2.057 -4.165 5.849 1.00 0.50 C ATOM 724 O4 U A 5 3.109 -4.196 5.207 1.00 0.54 O ATOM 725 C5 U A 5 0.932 -5.027 5.661 1.00 0.55 C ATOM 726 C6 U A 5 -0.154 -4.877 6.432 1.00 0.51 C ATOM 0 H5' U A 5 -5.032 -4.831 6.246 1.00 0.45 H new ATOM 0 H5'' U A 5 -3.669 -5.928 6.354 1.00 0.45 H new ATOM 0 H4' U A 5 -4.259 -4.221 8.681 1.00 0.41 H new ATOM 0 H3' U A 5 -3.248 -3.050 6.067 1.00 0.35 H new ATOM 0 H2' U A 5 -1.625 -1.734 7.331 1.00 0.41 H new ATOM 0 HO2' U A 5 -3.491 -1.520 9.053 1.00 0.50 H new ATOM 0 H1' U A 5 -1.109 -3.696 9.285 1.00 0.43 H new ATOM 0 H3 U A 5 2.691 -2.605 7.005 1.00 0.43 H new ATOM 0 H5 U A 5 0.957 -5.795 4.902 1.00 0.55 H new ATOM 0 H6 U A 5 -0.996 -5.536 6.279 1.00 0.51 H new ATOM 737 P G A 6 -4.908 -1.067 6.189 1.00 0.43 P ATOM 738 OP1 G A 6 -6.386 -0.931 6.160 1.00 0.65 O ATOM 739 OP2 G A 6 -4.184 -1.460 4.954 1.00 0.54 O ATOM 740 O5' G A 6 -4.294 0.308 6.713 1.00 0.43 O ATOM 741 C5' G A 6 -2.883 0.440 6.982 1.00 0.47 C ATOM 742 C4' G A 6 -2.217 1.259 5.902 1.00 0.47 C ATOM 743 O4' G A 6 -0.777 1.102 6.012 1.00 0.53 O ATOM 744 C3' G A 6 -2.501 0.786 4.490 1.00 0.39 C ATOM 745 O3' G A 6 -3.763 1.260 4.009 1.00 0.41 O ATOM 746 C2' G A 6 -1.320 1.351 3.710 1.00 0.48 C ATOM 747 O2' G A 6 -1.483 2.706 3.338 1.00 0.59 O ATOM 748 C1' G A 6 -0.183 1.228 4.727 1.00 0.49 C ATOM 749 N9 G A 6 0.607 0.028 4.475 1.00 0.50 N ATOM 750 C8 G A 6 0.201 -1.265 4.683 1.00 0.60 C ATOM 751 N7 G A 6 1.106 -2.147 4.359 1.00 0.63 N ATOM 752 C5 G A 6 2.176 -1.389 3.906 1.00 0.54 C ATOM 753 C6 G A 6 3.441 -1.796 3.408 1.00 0.55 C ATOM 754 O6 G A 6 3.882 -2.941 3.275 1.00 0.61 O ATOM 755 N1 G A 6 4.226 -0.707 3.045 1.00 0.55 N ATOM 756 C2 G A 6 3.840 0.607 3.152 1.00 0.57 C ATOM 757 N2 G A 6 4.741 1.519 2.752 1.00 0.70 N ATOM 758 N3 G A 6 2.663 1.000 3.615 1.00 0.53 N ATOM 759 C4 G A 6 1.886 -0.044 3.971 1.00 0.49 C ATOM 0 H5' G A 6 -2.422 -0.546 7.036 1.00 0.47 H new ATOM 0 H5'' G A 6 -2.734 0.915 7.952 1.00 0.47 H new ATOM 0 H4' G A 6 -2.598 2.270 6.050 1.00 0.47 H new ATOM 0 H3' G A 6 -2.587 -0.297 4.401 1.00 0.39 H new ATOM 0 H2' G A 6 -1.168 0.827 2.766 1.00 0.48 H new ATOM 0 HO2' G A 6 -1.714 3.237 4.129 1.00 0.59 H new ATOM 0 H1' G A 6 0.467 2.100 4.657 1.00 0.49 H new ATOM 0 H8 G A 6 -0.770 -1.527 5.076 1.00 0.60 H new ATOM 0 H1 G A 6 5.156 -0.898 2.672 1.00 0.55 H new ATOM 0 H21 G A 6 4.518 2.513 2.805 1.00 0.70 H new ATOM 0 H22 G A 6 5.648 1.218 2.395 1.00 0.70 H new ATOM 771 P A A 7 -4.042 2.837 3.873 1.00 0.43 P ATOM 772 OP1 A A 7 -3.084 3.552 4.753 1.00 0.74 O ATOM 773 OP2 A A 7 -5.499 3.063 4.040 1.00 0.66 O ATOM 774 O5' A A 7 -3.663 3.165 2.361 1.00 0.33 O ATOM 775 C5' A A 7 -3.677 2.144 1.338 1.00 0.29 C ATOM 776 C4' A A 7 -2.704 2.509 0.246 1.00 0.23 C ATOM 777 O4' A A 7 -2.485 3.929 0.338 1.00 0.23 O ATOM 778 C3' A A 7 -1.301 1.940 0.363 1.00 0.25 C ATOM 779 O3' A A 7 -1.256 0.642 -0.218 1.00 0.27 O ATOM 780 C2' A A 7 -0.471 2.941 -0.439 1.00 0.24 C ATOM 781 O2' A A 7 -0.429 2.658 -1.821 1.00 0.25 O ATOM 782 C1' A A 7 -1.226 4.245 -0.209 1.00 0.21 C ATOM 783 N9 A A 7 -0.541 5.145 0.714 1.00 0.24 N ATOM 784 C8 A A 7 -0.795 5.333 2.049 1.00 0.29 C ATOM 785 N7 A A 7 -0.008 6.217 2.617 1.00 0.33 N ATOM 786 C5 A A 7 0.820 6.634 1.586 1.00 0.30 C ATOM 787 C6 A A 7 1.877 7.560 1.535 1.00 0.34 C ATOM 788 N6 A A 7 2.295 8.265 2.589 1.00 0.39 N ATOM 789 N1 A A 7 2.498 7.739 0.348 1.00 0.35 N ATOM 790 C2 A A 7 2.077 7.031 -0.708 1.00 0.32 C ATOM 791 N3 A A 7 1.098 6.136 -0.785 1.00 0.27 N ATOM 792 C4 A A 7 0.503 5.983 0.409 1.00 0.25 C ATOM 0 H5' A A 7 -4.681 2.042 0.925 1.00 0.29 H new ATOM 0 H5'' A A 7 -3.410 1.179 1.769 1.00 0.29 H new ATOM 0 H4' A A 7 -3.158 2.120 -0.666 1.00 0.23 H new ATOM 0 H3' A A 7 -0.947 1.821 1.387 1.00 0.25 H new ATOM 0 H2' A A 7 0.573 2.941 -0.125 1.00 0.24 H new ATOM 0 HO2' A A 7 0.115 3.334 -2.277 1.00 0.25 H new ATOM 0 H1' A A 7 -1.304 4.756 -1.169 1.00 0.21 H new ATOM 0 H8 A A 7 -1.570 4.803 2.583 1.00 0.29 H new ATOM 0 H61 A A 7 3.068 8.923 2.489 1.00 0.39 H new ATOM 0 H62 A A 7 1.841 8.146 3.495 1.00 0.39 H new ATOM 0 H2 A A 7 2.610 7.214 -1.629 1.00 0.32 H new ATOM 804 P A A 8 -0.144 -0.412 0.265 1.00 0.37 P ATOM 805 OP1 A A 8 -0.222 -1.572 -0.651 1.00 0.47 O ATOM 806 OP2 A A 8 -0.286 -0.621 1.726 1.00 0.44 O ATOM 807 O5' A A 8 1.237 0.332 -0.007 1.00 0.38 O ATOM 808 C5' A A 8 1.717 0.524 -1.348 1.00 0.39 C ATOM 809 C4' A A 8 2.834 1.536 -1.359 1.00 0.43 C ATOM 810 O4' A A 8 2.343 2.757 -0.752 1.00 0.37 O ATOM 811 C3' A A 8 4.032 1.156 -0.503 1.00 0.53 C ATOM 812 O3' A A 8 4.974 0.354 -1.220 1.00 0.66 O ATOM 813 C2' A A 8 4.631 2.507 -0.133 1.00 0.50 C ATOM 814 O2' A A 8 5.504 3.010 -1.124 1.00 0.58 O ATOM 815 C1' A A 8 3.390 3.397 -0.044 1.00 0.38 C ATOM 816 N9 A A 8 2.941 3.586 1.335 1.00 0.36 N ATOM 817 C8 A A 8 1.902 2.953 1.970 1.00 0.42 C ATOM 818 N7 A A 8 1.732 3.334 3.213 1.00 0.47 N ATOM 819 C5 A A 8 2.729 4.279 3.411 1.00 0.41 C ATOM 820 C6 A A 8 3.087 5.054 4.526 1.00 0.44 C ATOM 821 N6 A A 8 2.451 5.001 5.699 1.00 0.54 N ATOM 822 N1 A A 8 4.135 5.896 4.396 1.00 0.40 N ATOM 823 C2 A A 8 4.772 5.946 3.219 1.00 0.36 C ATOM 824 N3 A A 8 4.529 5.271 2.098 1.00 0.35 N ATOM 825 C4 A A 8 3.482 4.444 2.262 1.00 0.35 C ATOM 0 H5' A A 8 0.903 0.863 -1.989 1.00 0.39 H new ATOM 0 H5'' A A 8 2.070 -0.423 -1.755 1.00 0.39 H new ATOM 0 H4' A A 8 3.142 1.619 -2.401 1.00 0.43 H new ATOM 0 H3' A A 8 3.754 0.551 0.360 1.00 0.53 H new ATOM 0 H2' A A 8 5.232 2.455 0.775 1.00 0.50 H new ATOM 0 HO2' A A 8 5.111 2.865 -2.010 1.00 0.58 H new ATOM 0 H1' A A 8 3.643 4.372 -0.459 1.00 0.38 H new ATOM 0 H8 A A 8 1.282 2.210 1.490 1.00 0.42 H new ATOM 0 H61 A A 8 2.759 5.590 6.473 1.00 0.54 H new ATOM 0 H62 A A 8 1.658 4.372 5.821 1.00 0.54 H new ATOM 0 H2 A A 8 5.603 6.634 3.173 1.00 0.36 H new ATOM 837 P A A 9 4.894 0.252 -2.823 1.00 1.47 P ATOM 838 OP1 A A 9 5.011 1.629 -3.360 1.00 2.33 O ATOM 839 OP2 A A 9 3.717 -0.578 -3.184 1.00 2.35 O ATOM 840 O5' A A 9 6.213 -0.546 -3.219 1.00 1.08 O ATOM 841 C5' A A 9 7.389 -0.475 -2.393 1.00 1.04 C ATOM 842 C4' A A 9 8.256 0.679 -2.825 1.00 1.09 C ATOM 843 O4' A A 9 7.748 1.185 -4.083 1.00 1.26 O ATOM 844 C3' A A 9 8.204 1.878 -1.896 1.00 0.99 C ATOM 845 O3' A A 9 9.151 1.747 -0.843 1.00 1.17 O ATOM 846 C2' A A 9 8.553 3.038 -2.819 1.00 1.26 C ATOM 847 O2' A A 9 9.949 3.216 -2.965 1.00 1.57 O ATOM 848 C1' A A 9 7.943 2.585 -4.149 1.00 1.29 C ATOM 849 N9 A A 9 6.637 3.196 -4.398 1.00 0.00 N ATOM 850 C8 A A 9 5.990 4.128 -3.628 1.00 0.00 C ATOM 851 N7 A A 9 4.825 4.491 -4.106 1.00 0.00 N ATOM 852 C5 A A 9 4.695 3.745 -5.268 1.00 0.00 C ATOM 853 C6 A A 9 3.673 3.661 -6.227 1.00 0.00 C ATOM 854 N6 A A 9 2.547 4.374 -6.173 1.00 0.00 N ATOM 855 N1 A A 9 3.850 2.809 -7.259 1.00 0.00 N ATOM 856 C2 A A 9 4.980 2.093 -7.312 1.00 0.00 C ATOM 857 N3 A A 9 6.012 2.084 -6.473 1.00 0.00 N ATOM 858 C4 A A 9 5.805 2.943 -5.460 1.00 0.00 C ATOM 0 H5' A A 9 7.949 -1.407 -2.464 1.00 1.04 H new ATOM 0 H5'' A A 9 7.102 -0.354 -1.348 1.00 1.04 H new ATOM 0 H4' A A 9 9.271 0.284 -2.857 1.00 1.09 H new ATOM 0 H3' A A 9 7.241 2.003 -1.401 1.00 0.99 H new ATOM 0 H2' A A 9 8.185 3.993 -2.444 1.00 1.26 H new ATOM 0 HO2' A A 9 10.417 2.729 -2.255 1.00 1.57 H new ATOM 0 H1' A A 9 8.622 2.881 -4.949 1.00 1.29 H new ATOM 0 H8 A A 9 6.402 4.526 -2.713 1.00 0.00 H new ATOM 0 H61 A A 9 1.841 4.268 -6.901 1.00 0.00 H new ATOM 0 H62 A A 9 2.392 5.025 -5.403 1.00 0.00 H new ATOM 0 H2 A A 9 5.066 1.427 -8.158 1.00 0.00 H new ATOM 870 P A A 10 8.707 1.068 0.545 1.00 1.33 P ATOM 871 OP1 A A 10 9.093 -0.366 0.504 1.00 2.11 O ATOM 872 OP2 A A 10 7.286 1.441 0.811 1.00 2.10 O ATOM 873 O5' A A 10 9.616 1.794 1.633 1.00 0.79 O ATOM 874 C5' A A 10 9.321 1.656 3.031 1.00 0.59 C ATOM 875 C4' A A 10 9.521 2.970 3.746 1.00 0.54 C ATOM 876 O4' A A 10 8.305 3.743 3.630 1.00 0.50 O ATOM 877 C3' A A 10 9.744 2.814 5.238 1.00 0.50 C ATOM 878 O3' A A 10 11.131 2.648 5.520 1.00 0.61 O ATOM 879 C2' A A 10 9.182 4.106 5.820 1.00 0.50 C ATOM 880 O2' A A 10 10.133 5.153 5.842 1.00 0.61 O ATOM 881 C1' A A 10 8.056 4.440 4.838 1.00 0.48 C ATOM 882 N9 A A 10 6.754 3.983 5.308 1.00 0.45 N ATOM 883 C8 A A 10 5.924 3.103 4.665 1.00 0.45 C ATOM 884 N7 A A 10 4.810 2.859 5.309 1.00 0.51 N ATOM 885 C5 A A 10 4.916 3.631 6.459 1.00 0.54 C ATOM 886 C6 A A 10 4.064 3.809 7.561 1.00 0.64 C ATOM 887 N6 A A 10 2.881 3.202 7.690 1.00 0.72 N ATOM 888 N1 A A 10 4.473 4.643 8.543 1.00 0.69 N ATOM 889 C2 A A 10 5.660 5.250 8.413 1.00 0.66 C ATOM 890 N3 A A 10 6.547 5.163 7.427 1.00 0.58 N ATOM 891 C4 A A 10 6.110 4.329 6.470 1.00 0.51 C ATOM 0 H5' A A 10 9.965 0.894 3.471 1.00 0.59 H new ATOM 0 H5'' A A 10 8.293 1.318 3.160 1.00 0.59 H new ATOM 0 H4' A A 10 10.396 3.434 3.291 1.00 0.54 H new ATOM 0 H3' A A 10 9.261 1.934 5.664 1.00 0.50 H new ATOM 0 H2' A A 10 8.868 3.992 6.857 1.00 0.50 H new ATOM 0 HO2' A A 10 9.724 5.958 6.222 1.00 0.61 H new ATOM 0 H1' A A 10 8.037 5.523 4.720 1.00 0.48 H new ATOM 0 H8 A A 10 6.166 2.652 3.714 1.00 0.45 H new ATOM 0 H61 A A 10 2.307 3.373 8.516 1.00 0.72 H new ATOM 0 H62 A A 10 2.551 2.568 6.963 1.00 0.72 H new ATOM 0 H2 A A 10 5.936 5.904 9.227 1.00 0.66 H new ATOM 903 P A A 11 11.647 2.689 7.041 1.00 0.62 P ATOM 904 OP1 A A 11 12.430 3.937 7.235 1.00 0.77 O ATOM 905 OP2 A A 11 12.277 1.376 7.333 1.00 0.65 O ATOM 906 O5' A A 11 10.312 2.798 7.902 1.00 0.58 O ATOM 907 C5' A A 11 10.247 3.648 9.063 1.00 0.56 C ATOM 908 C4' A A 11 8.934 3.448 9.782 1.00 0.49 C ATOM 909 O4' A A 11 7.893 3.261 8.790 1.00 0.46 O ATOM 910 C3' A A 11 8.869 2.196 10.641 1.00 0.47 C ATOM 911 O3' A A 11 9.346 2.464 11.958 1.00 0.51 O ATOM 912 C2' A A 11 7.382 1.864 10.653 1.00 0.43 C ATOM 913 O2' A A 11 6.677 2.551 11.670 1.00 0.47 O ATOM 914 C1' A A 11 6.924 2.351 9.277 1.00 0.42 C ATOM 915 N9 A A 11 6.803 1.264 8.306 1.00 0.41 N ATOM 916 C8 A A 11 7.728 0.856 7.378 1.00 0.46 C ATOM 917 N7 A A 11 7.327 -0.152 6.639 1.00 0.47 N ATOM 918 C5 A A 11 6.052 -0.426 7.115 1.00 0.42 C ATOM 919 C6 A A 11 5.089 -1.385 6.752 1.00 0.43 C ATOM 920 N6 A A 11 5.254 -2.292 5.780 1.00 0.49 N ATOM 921 N1 A A 11 3.922 -1.386 7.431 1.00 0.40 N ATOM 922 C2 A A 11 3.741 -0.487 8.403 1.00 0.37 C ATOM 923 N3 A A 11 4.567 0.461 8.836 1.00 0.37 N ATOM 924 C4 A A 11 5.718 0.438 8.143 1.00 0.39 C ATOM 0 H5' A A 11 10.352 4.691 8.765 1.00 0.56 H new ATOM 0 H5'' A A 11 11.076 3.423 9.734 1.00 0.56 H new ATOM 0 H4' A A 11 8.818 4.325 10.418 1.00 0.49 H new ATOM 0 H3' A A 11 9.485 1.379 10.264 1.00 0.47 H new ATOM 0 H2' A A 11 7.197 0.808 10.848 1.00 0.43 H new ATOM 0 HO2' A A 11 7.314 2.919 12.318 1.00 0.47 H new ATOM 0 H1' A A 11 5.941 2.808 9.395 1.00 0.42 H new ATOM 0 H8 A A 11 8.696 1.321 7.266 1.00 0.46 H new ATOM 0 H61 A A 11 4.510 -2.958 5.572 1.00 0.49 H new ATOM 0 H62 A A 11 6.124 -2.317 5.248 1.00 0.49 H new ATOM 0 H2 A A 11 2.788 -0.538 8.909 1.00 0.37 H new ATOM 936 P G A 12 10.157 1.330 12.758 1.00 0.56 P ATOM 937 OP1 G A 12 10.970 2.013 13.796 1.00 0.68 O ATOM 938 OP2 G A 12 10.825 0.448 11.767 1.00 0.65 O ATOM 939 O5' G A 12 9.024 0.485 13.496 1.00 0.50 O ATOM 940 C5' G A 12 8.500 -0.719 12.907 1.00 0.47 C ATOM 941 C4' G A 12 6.992 -0.708 12.947 1.00 0.42 C ATOM 942 O4' G A 12 6.513 -0.482 11.603 1.00 0.40 O ATOM 943 C3' G A 12 6.355 -2.023 13.362 1.00 0.39 C ATOM 944 O3' G A 12 6.210 -2.092 14.779 1.00 0.43 O ATOM 945 C2' G A 12 5.000 -1.984 12.665 1.00 0.35 C ATOM 946 O2' G A 12 4.014 -1.308 13.422 1.00 0.37 O ATOM 947 C1' G A 12 5.313 -1.196 11.391 1.00 0.35 C ATOM 948 N9 G A 12 5.524 -2.065 10.241 1.00 0.33 N ATOM 949 C8 G A 12 6.630 -2.094 9.427 1.00 0.36 C ATOM 950 N7 G A 12 6.541 -2.981 8.475 1.00 0.36 N ATOM 951 C5 G A 12 5.303 -3.576 8.673 1.00 0.33 C ATOM 952 C6 G A 12 4.657 -4.609 7.952 1.00 0.36 C ATOM 953 O6 G A 12 5.064 -5.226 6.961 1.00 0.40 O ATOM 954 N1 G A 12 3.409 -4.908 8.490 1.00 0.36 N ATOM 955 C2 G A 12 2.859 -4.290 9.588 1.00 0.34 C ATOM 956 N2 G A 12 1.644 -4.721 9.960 1.00 0.37 N ATOM 957 N3 G A 12 3.453 -3.326 10.270 1.00 0.31 N ATOM 958 C4 G A 12 4.663 -3.021 9.760 1.00 0.31 C ATOM 0 H5' G A 12 8.878 -1.589 13.444 1.00 0.47 H new ATOM 0 H5'' G A 12 8.843 -0.807 11.876 1.00 0.47 H new ATOM 0 H4' G A 12 6.727 0.057 13.677 1.00 0.42 H new ATOM 0 H3' G A 12 6.947 -2.897 13.089 1.00 0.39 H new ATOM 0 H2' G A 12 4.591 -2.981 12.500 1.00 0.35 H new ATOM 0 HO2' G A 12 4.323 -1.209 14.347 1.00 0.37 H new ATOM 0 H1' G A 12 4.464 -0.545 11.183 1.00 0.35 H new ATOM 0 H8 G A 12 7.485 -1.449 9.561 1.00 0.36 H new ATOM 0 H1 G A 12 2.862 -5.640 8.036 1.00 0.36 H new ATOM 0 H21 G A 12 1.180 -4.304 10.767 1.00 0.37 H new ATOM 0 H22 G A 12 1.184 -5.466 9.436 1.00 0.37 H new ATOM 970 P G A 13 6.934 -3.273 15.596 1.00 0.51 P ATOM 971 OP1 G A 13 7.101 -2.828 17.004 1.00 0.57 O ATOM 972 OP2 G A 13 8.124 -3.691 14.813 1.00 0.59 O ATOM 973 O5' G A 13 5.880 -4.468 15.571 1.00 0.57 O ATOM 974 C5' G A 13 4.689 -4.420 16.379 1.00 0.62 C ATOM 975 C4' G A 13 3.666 -5.399 15.863 1.00 0.60 C ATOM 976 O4' G A 13 3.359 -5.045 14.492 1.00 0.59 O ATOM 977 C3' G A 13 4.152 -6.834 15.769 1.00 0.59 C ATOM 978 O3' G A 13 4.005 -7.527 17.015 1.00 0.66 O ATOM 979 C2' G A 13 3.264 -7.419 14.676 1.00 0.57 C ATOM 980 O2' G A 13 2.027 -7.922 15.143 1.00 0.63 O ATOM 981 C1' G A 13 3.017 -6.212 13.770 1.00 0.54 C ATOM 982 N9 G A 13 3.833 -6.270 12.563 1.00 0.50 N ATOM 983 C8 G A 13 4.920 -5.494 12.244 1.00 0.54 C ATOM 984 N7 G A 13 5.448 -5.805 11.090 1.00 0.56 N ATOM 985 C5 G A 13 4.660 -6.848 10.623 1.00 0.50 C ATOM 986 C6 G A 13 4.745 -7.601 9.422 1.00 0.53 C ATOM 987 O6 G A 13 5.562 -7.492 8.500 1.00 0.60 O ATOM 988 N1 G A 13 3.744 -8.566 9.349 1.00 0.51 N ATOM 989 C2 G A 13 2.787 -8.778 10.312 1.00 0.48 C ATOM 990 N2 G A 13 1.905 -9.756 10.065 1.00 0.52 N ATOM 991 N3 G A 13 2.699 -8.086 11.432 1.00 0.47 N ATOM 992 C4 G A 13 3.660 -7.144 11.521 1.00 0.47 C ATOM 0 H5' G A 13 4.275 -3.412 16.369 1.00 0.62 H new ATOM 0 H5'' G A 13 4.935 -4.653 17.415 1.00 0.62 H new ATOM 0 H4' G A 13 2.835 -5.345 16.566 1.00 0.60 H new ATOM 0 H3' G A 13 5.215 -6.917 15.542 1.00 0.59 H new ATOM 0 H2' G A 13 3.740 -8.276 14.199 1.00 0.57 H new ATOM 0 HO2' G A 13 1.542 -7.212 15.614 1.00 0.63 H new ATOM 0 H1' G A 13 1.969 -6.208 13.471 1.00 0.54 H new ATOM 0 H8 G A 13 5.299 -4.708 12.881 1.00 0.54 H new ATOM 0 H1 G A 13 3.719 -9.159 8.520 1.00 0.51 H new ATOM 0 H21 G A 13 1.170 -9.963 10.741 1.00 0.52 H new ATOM 0 H22 G A 13 1.969 -10.294 9.201 1.00 0.52 H new ATOM 1004 P G A 14 2.541 -7.855 17.599 1.00 0.74 P ATOM 1005 OP1 G A 14 1.584 -6.840 17.092 1.00 0.90 O ATOM 1006 OP2 G A 14 2.688 -8.053 19.063 1.00 0.80 O ATOM 1007 O5' G A 14 2.167 -9.267 16.956 1.00 0.68 O ATOM 1008 C5' G A 14 0.799 -9.720 16.926 1.00 0.70 C ATOM 1009 C4' G A 14 0.688 -11.032 16.178 1.00 0.68 C ATOM 1010 O4' G A 14 0.795 -10.778 14.755 1.00 0.67 O ATOM 1011 C3' G A 14 1.795 -12.035 16.436 1.00 0.67 C ATOM 1012 O3' G A 14 1.542 -12.781 17.622 1.00 0.77 O ATOM 1013 C2' G A 14 1.714 -12.923 15.201 1.00 0.67 C ATOM 1014 O2' G A 14 0.711 -13.916 15.305 1.00 0.80 O ATOM 1015 C1' G A 14 1.328 -11.922 14.111 1.00 0.61 C ATOM 1016 N9 G A 14 2.479 -11.511 13.315 1.00 0.50 N ATOM 1017 C8 G A 14 3.363 -10.499 13.597 1.00 0.50 C ATOM 1018 N7 G A 14 4.304 -10.377 12.701 1.00 0.47 N ATOM 1019 C5 G A 14 4.021 -11.367 11.770 1.00 0.41 C ATOM 1020 C6 G A 14 4.697 -11.723 10.573 1.00 0.40 C ATOM 1021 O6 G A 14 5.712 -11.213 10.084 1.00 0.45 O ATOM 1022 N1 G A 14 4.073 -12.790 9.927 1.00 0.41 N ATOM 1023 C2 G A 14 2.944 -13.428 10.384 1.00 0.46 C ATOM 1024 N2 G A 14 2.488 -14.435 9.627 1.00 0.55 N ATOM 1025 N3 G A 14 2.307 -13.105 11.496 1.00 0.49 N ATOM 1026 C4 G A 14 2.898 -12.074 12.134 1.00 0.44 C ATOM 0 H5' G A 14 0.172 -8.968 16.447 1.00 0.70 H new ATOM 0 H5'' G A 14 0.429 -9.843 17.944 1.00 0.70 H new ATOM 0 H4' G A 14 -0.261 -11.443 16.522 1.00 0.68 H new ATOM 0 H3' G A 14 2.775 -11.581 16.587 1.00 0.67 H new ATOM 0 H2' G A 14 2.641 -13.470 15.026 1.00 0.67 H new ATOM 0 HO2' G A 14 0.896 -14.636 14.667 1.00 0.80 H new ATOM 0 H1' G A 14 0.609 -12.392 13.440 1.00 0.61 H new ATOM 0 H8 G A 14 3.287 -9.869 14.471 1.00 0.50 H new ATOM 0 H1 G A 14 4.483 -13.120 9.054 1.00 0.41 H new ATOM 0 H21 G A 14 1.654 -14.949 9.911 1.00 0.55 H new ATOM 0 H22 G A 14 2.975 -14.687 8.767 1.00 0.55 H new ATOM 1038 P C A 15 2.704 -13.700 18.244 1.00 0.87 P ATOM 1039 OP1 C A 15 2.114 -14.457 19.377 1.00 0.91 O ATOM 1040 OP2 C A 15 3.900 -12.851 18.473 1.00 1.02 O ATOM 1041 O5' C A 15 3.038 -14.734 17.078 1.00 0.85 O ATOM 1042 C5' C A 15 2.129 -15.802 16.761 1.00 0.94 C ATOM 1043 C4' C A 15 2.739 -16.719 15.724 1.00 0.97 C ATOM 1044 O4' C A 15 2.870 -16.009 14.470 1.00 0.84 O ATOM 1045 C3' C A 15 4.160 -17.154 16.024 1.00 1.09 C ATOM 1046 O3' C A 15 4.173 -18.282 16.909 1.00 1.31 O ATOM 1047 C2' C A 15 4.691 -17.536 14.647 1.00 1.09 C ATOM 1048 O2' C A 15 4.403 -18.878 14.301 1.00 1.30 O ATOM 1049 C1' C A 15 3.931 -16.580 13.725 1.00 0.89 C ATOM 1050 N1 C A 15 4.788 -15.497 13.223 1.00 0.75 N ATOM 1051 C2 C A 15 5.612 -15.749 12.121 1.00 0.77 C ATOM 1052 O2 C A 15 5.590 -16.869 11.594 1.00 0.89 O ATOM 1053 N3 C A 15 6.411 -14.768 11.659 1.00 0.70 N ATOM 1054 C4 C A 15 6.410 -13.576 12.248 1.00 0.66 C ATOM 1055 N4 C A 15 7.216 -12.649 11.751 1.00 0.71 N ATOM 1056 C5 C A 15 5.582 -13.288 13.371 1.00 0.64 C ATOM 1057 C6 C A 15 4.792 -14.269 13.823 1.00 0.66 C ATOM 0 H5' C A 15 1.191 -15.392 16.387 1.00 0.94 H new ATOM 0 H5'' C A 15 1.893 -16.367 17.662 1.00 0.94 H new ATOM 0 H4' C A 15 2.073 -17.582 15.706 1.00 0.97 H new ATOM 0 H3' C A 15 4.754 -16.386 16.519 1.00 1.09 H new ATOM 0 H2' C A 15 5.777 -17.461 14.589 1.00 1.09 H new ATOM 0 HO2' C A 15 4.254 -19.401 15.116 1.00 1.30 H new ATOM 0 HO3' C A 15 5.099 -18.547 17.088 1.00 1.31 H new ATOM 0 H1' C A 15 3.569 -17.143 12.865 1.00 0.89 H new ATOM 0 H41 C A 15 7.247 -11.721 12.172 1.00 0.71 H new ATOM 0 H42 C A 15 7.806 -12.864 10.947 1.00 0.71 H new ATOM 0 H5 C A 15 5.592 -12.315 13.840 1.00 0.64 H new ATOM 0 H6 C A 15 4.150 -14.088 14.672 1.00 0.66 H new TER 1069 C A 15