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+ 178:sc= 0.0976 (180deg=0) USER MOD Set 1.2: B 17 GLN : amide:sc= 0.0996 K(o=0.2,f=-0.52) USER MOD Single : A 1 G O2' : rot 53:sc= -6.31! USER MOD Single : A 2 C O2' : rot -15:sc= 0.152 USER MOD Single : A 3 C O2' : rot 48:sc= -5.99! USER MOD Single : A 4 C O2' : rot 2:sc= -0.619 USER MOD Single : A 5 U O2' : rot 77:sc= -4.74! USER MOD Single : A 6 G O2' : rot 166:sc= 0.764 USER MOD Single : A 7 A O2' : rot -117:sc= -3.38! USER MOD Single : A 8 A O2' : rot 56:sc= -2.27! USER MOD Single : A 9 A O2' : rot -17:sc= 0.155 USER MOD Single : A 10 A O2' : rot -17:sc= 0.127 USER MOD Single : A 11 A O2' : rot -84:sc= -0.325! USER MOD Single : A 12 G O2' : rot -18:sc= 0.149 USER MOD Single : A 13 G O2' : rot 56:sc= -2.56! USER MOD Single : A 14 G O2' : rot 180:sc= -2.06! USER MOD Single : A 15 C O2' : rot -23:sc= 0.191 USER MOD Single : A 15 C O3' : rot 180:sc= 0.166 USER MOD Single : B 4 GLN : amide:sc= -1.46 K(o=-1.5,f=-0.32) USER MOD Single : B 5 THR OG1 : rot 180:sc= 0 USER MOD Single : B 15 GLN : amide:sc= -4.19! C(o=-4.2!,f=-2.8!) USER MOD Single : B 19 LYS NZ :NH3+ 160:sc= -2.1! (180deg=-2.66!) USER MOD Single : B 22 ASN : amide:sc= -6.53! C(o=-6.5!,f=-5.8!) USER MOD Single : B 29 SER OG : rot 180:sc= 0 USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 ASN : amide:sc= -0.141 K(o=-0.14,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP B 2 10.139 -11.112 -1.111 1.00 0.76 N ATOM 2 CA ASP B 2 9.601 -11.518 0.221 1.00 0.88 C ATOM 3 C ASP B 2 8.084 -11.683 0.148 1.00 0.68 C ATOM 4 O ASP B 2 7.513 -11.834 -0.914 1.00 0.66 O ATOM 5 CB ASP B 2 9.966 -10.380 1.178 1.00 1.25 C ATOM 6 CG ASP B 2 11.454 -10.042 1.042 1.00 1.88 C ATOM 7 OD1 ASP B 2 12.233 -10.958 0.840 1.00 2.37 O ATOM 8 OD2 ASP B 2 11.788 -8.873 1.143 1.00 2.35 O ATOM 0 HA ASP B 2 10.015 -12.471 0.552 1.00 0.88 H new ATOM 0 HB2 ASP B 2 9.362 -9.500 0.957 1.00 1.25 H new ATOM 0 HB3 ASP B 2 9.742 -10.670 2.205 1.00 1.25 H new ATOM 15 N ALA B 3 7.434 -11.654 1.274 1.00 0.63 N ATOM 16 CA ALA B 3 5.950 -11.811 1.289 1.00 0.58 C ATOM 17 C ALA B 3 5.270 -10.445 1.393 1.00 0.63 C ATOM 18 O ALA B 3 4.183 -10.246 0.887 1.00 0.61 O ATOM 19 CB ALA B 3 5.652 -12.658 2.525 1.00 0.75 C ATOM 0 H ALA B 3 7.865 -11.528 2.190 1.00 0.63 H new ATOM 0 HA ALA B 3 5.577 -12.278 0.377 1.00 0.58 H new ATOM 0 HB1 ALA B 3 4.577 -12.818 2.606 1.00 0.75 H new ATOM 0 HB2 ALA B 3 6.156 -13.620 2.437 1.00 0.75 H new ATOM 0 HB3 ALA B 3 6.010 -12.141 3.415 1.00 0.75 H new ATOM 25 N GLN B 4 5.901 -9.502 2.037 1.00 0.75 N ATOM 26 CA GLN B 4 5.286 -8.150 2.159 1.00 0.89 C ATOM 27 C GLN B 4 5.361 -7.447 0.815 1.00 0.79 C ATOM 28 O GLN B 4 4.352 -7.090 0.238 1.00 0.81 O ATOM 29 CB GLN B 4 6.122 -7.421 3.216 1.00 1.09 C ATOM 30 CG GLN B 4 5.421 -6.129 3.646 1.00 1.29 C ATOM 31 CD GLN B 4 6.200 -4.923 3.120 1.00 0.85 C ATOM 32 OE1 GLN B 4 7.337 -4.711 3.493 1.00 1.14 O ATOM 33 NE2 GLN B 4 5.633 -4.117 2.264 1.00 0.94 N ATOM 0 H GLN B 4 6.812 -9.608 2.482 1.00 0.75 H new ATOM 0 HA GLN B 4 4.235 -8.183 2.448 1.00 0.89 H new ATOM 0 HB2 GLN B 4 6.272 -8.067 4.081 1.00 1.09 H new ATOM 0 HB3 GLN B 4 7.109 -7.192 2.815 1.00 1.09 H new ATOM 0 HG2 GLN B 4 4.401 -6.112 3.262 1.00 1.29 H new ATOM 0 HG3 GLN B 4 5.353 -6.085 4.733 1.00 1.29 H new ATOM 0 HE21 GLN B 4 4.679 -4.295 1.951 1.00 0.94 H new ATOM 0 HE22 GLN B 4 6.144 -3.309 1.908 1.00 0.94 H new ATOM 42 N THR B 5 6.542 -7.284 0.288 1.00 0.76 N ATOM 43 CA THR B 5 6.664 -6.650 -1.055 1.00 0.79 C ATOM 44 C THR B 5 5.733 -7.405 -2.002 1.00 0.59 C ATOM 45 O THR B 5 5.175 -6.854 -2.930 1.00 0.57 O ATOM 46 CB THR B 5 8.128 -6.835 -1.459 1.00 0.94 C ATOM 47 OG1 THR B 5 8.955 -6.071 -0.593 1.00 1.26 O ATOM 48 CG2 THR B 5 8.327 -6.369 -2.902 1.00 0.94 C ATOM 0 H THR B 5 7.422 -7.560 0.724 1.00 0.76 H new ATOM 0 HA THR B 5 6.394 -5.594 -1.073 1.00 0.79 H new ATOM 0 HB THR B 5 8.396 -7.889 -1.383 1.00 0.94 H new ATOM 0 HG1 THR B 5 9.894 -6.189 -0.849 1.00 1.26 H new ATOM 0 HG21 THR B 5 9.371 -6.502 -3.187 1.00 0.94 H new ATOM 0 HG22 THR B 5 7.692 -6.957 -3.565 1.00 0.94 H new ATOM 0 HG23 THR B 5 8.060 -5.315 -2.984 1.00 0.94 H new ATOM 56 N ARG B 6 5.541 -8.669 -1.726 1.00 0.48 N ATOM 57 CA ARG B 6 4.621 -9.487 -2.553 1.00 0.46 C ATOM 58 C ARG B 6 3.195 -9.091 -2.242 1.00 0.43 C ATOM 59 O ARG B 6 2.381 -8.905 -3.126 1.00 0.45 O ATOM 60 CB ARG B 6 4.828 -10.924 -2.097 1.00 0.56 C ATOM 61 CG ARG B 6 5.538 -11.721 -3.195 1.00 0.78 C ATOM 62 CD ARG B 6 4.985 -13.146 -3.231 1.00 1.03 C ATOM 63 NE ARG B 6 5.848 -13.917 -2.289 1.00 0.88 N ATOM 64 CZ ARG B 6 7.088 -14.210 -2.604 1.00 0.73 C ATOM 65 NH1 ARG B 6 7.593 -13.832 -3.751 1.00 1.43 N ATOM 66 NH2 ARG B 6 7.824 -14.884 -1.765 1.00 1.26 N ATOM 0 H ARG B 6 5.988 -9.168 -0.957 1.00 0.48 H new ATOM 0 HA ARG B 6 4.808 -9.356 -3.619 1.00 0.46 H new ATOM 0 HB2 ARG B 6 5.419 -10.943 -1.182 1.00 0.56 H new ATOM 0 HB3 ARG B 6 3.867 -11.383 -1.865 1.00 0.56 H new ATOM 0 HG2 ARG B 6 5.392 -11.239 -4.161 1.00 0.78 H new ATOM 0 HG3 ARG B 6 6.612 -11.741 -3.008 1.00 0.78 H new ATOM 0 HD2 ARG B 6 3.940 -13.172 -2.921 1.00 1.03 H new ATOM 0 HD3 ARG B 6 5.029 -13.562 -4.238 1.00 1.03 H new ATOM 0 HE ARG B 6 5.470 -14.219 -1.391 1.00 0.88 H new ATOM 0 HH11 ARG B 6 7.022 -13.304 -4.411 1.00 1.43 H new ATOM 0 HH12 ARG B 6 8.558 -14.065 -3.985 1.00 1.43 H new ATOM 0 HH21 ARG B 6 7.435 -15.180 -0.870 1.00 1.26 H new ATOM 0 HH22 ARG B 6 8.788 -15.115 -2.004 1.00 1.26 H new ATOM 80 N ARG B 7 2.876 -8.975 -0.979 1.00 0.61 N ATOM 81 CA ARG B 7 1.487 -8.608 -0.627 1.00 0.80 C ATOM 82 C ARG B 7 1.158 -7.252 -1.246 1.00 0.65 C ATOM 83 O ARG B 7 0.042 -6.992 -1.647 1.00 0.56 O ATOM 84 CB ARG B 7 1.444 -8.540 0.902 1.00 1.16 C ATOM 85 CG ARG B 7 0.100 -7.945 1.347 1.00 1.10 C ATOM 86 CD ARG B 7 0.138 -7.641 2.844 1.00 0.92 C ATOM 87 NE ARG B 7 -0.733 -6.445 3.021 1.00 0.41 N ATOM 88 CZ ARG B 7 -2.033 -6.549 2.999 1.00 0.93 C ATOM 89 NH1 ARG B 7 -2.613 -7.709 2.815 1.00 1.61 N ATOM 90 NH2 ARG B 7 -2.755 -5.476 3.162 1.00 1.08 N ATOM 0 H ARG B 7 3.510 -9.117 -0.193 1.00 0.61 H new ATOM 0 HA ARG B 7 0.757 -9.327 -1.000 1.00 0.80 H new ATOM 0 HB2 ARG B 7 1.571 -9.536 1.325 1.00 1.16 H new ATOM 0 HB3 ARG B 7 2.266 -7.928 1.273 1.00 1.16 H new ATOM 0 HG2 ARG B 7 -0.108 -7.033 0.787 1.00 1.10 H new ATOM 0 HG3 ARG B 7 -0.707 -8.644 1.129 1.00 1.10 H new ATOM 0 HD2 ARG B 7 -0.229 -8.486 3.427 1.00 0.92 H new ATOM 0 HD3 ARG B 7 1.155 -7.441 3.180 1.00 0.92 H new ATOM 0 HE ARG B 7 -0.305 -5.530 3.162 1.00 0.41 H new ATOM 0 HH11 ARG B 7 -2.047 -8.548 2.686 1.00 1.61 H new ATOM 0 HH12 ARG B 7 -3.631 -7.774 2.800 1.00 1.61 H new ATOM 0 HH21 ARG B 7 -2.302 -4.573 3.304 1.00 1.08 H new ATOM 0 HH22 ARG B 7 -3.773 -5.539 3.148 1.00 1.08 H new ATOM 104 N ARG B 8 2.138 -6.394 -1.339 1.00 0.68 N ATOM 105 CA ARG B 8 1.908 -5.050 -1.944 1.00 0.67 C ATOM 106 C ARG B 8 1.313 -5.223 -3.328 1.00 0.48 C ATOM 107 O ARG B 8 0.395 -4.525 -3.712 1.00 0.50 O ATOM 108 CB ARG B 8 3.300 -4.414 -2.023 1.00 0.77 C ATOM 109 CG ARG B 8 3.235 -2.929 -1.644 1.00 0.73 C ATOM 110 CD ARG B 8 2.550 -2.734 -0.278 1.00 0.73 C ATOM 111 NE ARG B 8 2.877 -3.950 0.532 1.00 0.85 N ATOM 112 CZ ARG B 8 2.132 -4.302 1.552 1.00 1.05 C ATOM 113 NH1 ARG B 8 1.090 -3.594 1.899 1.00 1.43 N ATOM 114 NH2 ARG B 8 2.436 -5.372 2.229 1.00 1.16 N ATOM 0 H ARG B 8 3.092 -6.567 -1.021 1.00 0.68 H new ATOM 0 HA ARG B 8 1.218 -4.432 -1.369 1.00 0.67 H new ATOM 0 HB2 ARG B 8 3.983 -4.937 -1.354 1.00 0.77 H new ATOM 0 HB3 ARG B 8 3.698 -4.521 -3.032 1.00 0.77 H new ATOM 0 HG2 ARG B 8 4.243 -2.515 -1.611 1.00 0.73 H new ATOM 0 HG3 ARG B 8 2.689 -2.379 -2.410 1.00 0.73 H new ATOM 0 HD2 ARG B 8 2.912 -1.831 0.213 1.00 0.73 H new ATOM 0 HD3 ARG B 8 1.472 -2.623 -0.396 1.00 0.73 H new ATOM 0 HE ARG B 8 3.691 -4.513 0.287 1.00 0.85 H new ATOM 0 HH11 ARG B 8 0.846 -2.754 1.374 1.00 1.43 H new ATOM 0 HH12 ARG B 8 0.520 -3.881 2.695 1.00 1.43 H new ATOM 0 HH21 ARG B 8 3.248 -5.929 1.964 1.00 1.16 H new ATOM 0 HH22 ARG B 8 1.862 -5.653 3.024 1.00 1.16 H new ATOM 128 N GLU B 9 1.792 -6.181 -4.062 1.00 0.38 N ATOM 129 CA GLU B 9 1.202 -6.425 -5.402 1.00 0.34 C ATOM 130 C GLU B 9 -0.256 -6.801 -5.192 1.00 0.31 C ATOM 131 O GLU B 9 -1.126 -6.459 -5.969 1.00 0.34 O ATOM 132 CB GLU B 9 1.999 -7.583 -6.007 1.00 0.40 C ATOM 133 CG GLU B 9 3.476 -7.192 -6.106 1.00 0.59 C ATOM 134 CD GLU B 9 3.840 -6.927 -7.568 1.00 1.24 C ATOM 135 OE1 GLU B 9 3.424 -7.705 -8.410 1.00 1.73 O ATOM 136 OE2 GLU B 9 4.526 -5.950 -7.820 1.00 1.88 O ATOM 0 H GLU B 9 2.558 -6.800 -3.797 1.00 0.38 H new ATOM 0 HA GLU B 9 1.244 -5.562 -6.066 1.00 0.34 H new ATOM 0 HB2 GLU B 9 1.889 -8.475 -5.390 1.00 0.40 H new ATOM 0 HB3 GLU B 9 1.610 -7.829 -6.995 1.00 0.40 H new ATOM 0 HG2 GLU B 9 3.668 -6.303 -5.506 1.00 0.59 H new ATOM 0 HG3 GLU B 9 4.101 -7.989 -5.704 1.00 0.59 H new ATOM 143 N ARG B 10 -0.527 -7.458 -4.100 1.00 0.31 N ATOM 144 CA ARG B 10 -1.924 -7.810 -3.773 1.00 0.38 C ATOM 145 C ARG B 10 -2.616 -6.561 -3.237 1.00 0.35 C ATOM 146 O ARG B 10 -3.826 -6.500 -3.146 1.00 0.40 O ATOM 147 CB ARG B 10 -1.832 -8.893 -2.695 1.00 0.46 C ATOM 148 CG ARG B 10 -2.445 -10.195 -3.221 1.00 0.73 C ATOM 149 CD ARG B 10 -1.568 -11.379 -2.805 1.00 0.67 C ATOM 150 NE ARG B 10 -1.958 -12.487 -3.725 1.00 1.55 N ATOM 151 CZ ARG B 10 -3.091 -13.127 -3.563 1.00 2.12 C ATOM 152 NH1 ARG B 10 -3.907 -12.809 -2.589 1.00 3.14 N ATOM 153 NH2 ARG B 10 -3.410 -14.093 -4.381 1.00 2.20 N ATOM 0 H ARG B 10 0.168 -7.766 -3.419 1.00 0.31 H new ATOM 0 HA ARG B 10 -2.492 -8.170 -4.631 1.00 0.38 H new ATOM 0 HB2 ARG B 10 -0.791 -9.056 -2.417 1.00 0.46 H new ATOM 0 HB3 ARG B 10 -2.356 -8.570 -1.795 1.00 0.46 H new ATOM 0 HG2 ARG B 10 -3.453 -10.320 -2.826 1.00 0.73 H new ATOM 0 HG3 ARG B 10 -2.530 -10.156 -4.307 1.00 0.73 H new ATOM 0 HD2 ARG B 10 -0.509 -11.139 -2.902 1.00 0.67 H new ATOM 0 HD3 ARG B 10 -1.740 -11.651 -1.764 1.00 0.67 H new ATOM 0 HE ARG B 10 -1.336 -12.750 -4.489 1.00 1.55 H new ATOM 0 HH11 ARG B 10 -3.664 -12.056 -1.946 1.00 3.14 H new ATOM 0 HH12 ARG B 10 -4.785 -13.315 -2.474 1.00 3.14 H new ATOM 0 HH21 ARG B 10 -2.779 -14.347 -5.141 1.00 2.20 H new ATOM 0 HH22 ARG B 10 -4.290 -14.594 -4.260 1.00 2.20 H new ATOM 167 N ARG B 11 -1.851 -5.550 -2.899 1.00 0.29 N ATOM 168 CA ARG B 11 -2.472 -4.304 -2.395 1.00 0.29 C ATOM 169 C ARG B 11 -2.676 -3.323 -3.542 1.00 0.24 C ATOM 170 O ARG B 11 -3.162 -2.233 -3.339 1.00 0.25 O ATOM 171 CB ARG B 11 -1.495 -3.728 -1.375 1.00 0.32 C ATOM 172 CG ARG B 11 -1.396 -4.651 -0.149 1.00 0.41 C ATOM 173 CD ARG B 11 -2.796 -4.913 0.416 1.00 0.55 C ATOM 174 NE ARG B 11 -2.929 -6.400 0.402 1.00 1.59 N ATOM 175 CZ ARG B 11 -4.104 -6.975 0.498 1.00 2.18 C ATOM 176 NH1 ARG B 11 -5.194 -6.258 0.610 1.00 3.24 N ATOM 177 NH2 ARG B 11 -4.188 -8.277 0.482 1.00 1.76 N ATOM 0 H ARG B 11 -0.832 -5.542 -2.953 1.00 0.29 H new ATOM 0 HA ARG B 11 -3.448 -4.494 -1.947 1.00 0.29 H new ATOM 0 HB2 ARG B 11 -0.512 -3.610 -1.830 1.00 0.32 H new ATOM 0 HB3 ARG B 11 -1.824 -2.736 -1.066 1.00 0.32 H new ATOM 0 HG2 ARG B 11 -0.924 -5.593 -0.428 1.00 0.41 H new ATOM 0 HG3 ARG B 11 -0.766 -4.193 0.613 1.00 0.41 H new ATOM 0 HD2 ARG B 11 -2.898 -4.514 1.425 1.00 0.55 H new ATOM 0 HD3 ARG B 11 -3.566 -4.439 -0.193 1.00 0.55 H new ATOM 0 HE ARG B 11 -2.093 -6.978 0.316 1.00 1.59 H new ATOM 0 HH11 ARG B 11 -5.136 -5.240 0.623 1.00 3.24 H new ATOM 0 HH12 ARG B 11 -6.102 -6.718 0.684 1.00 3.24 H new ATOM 0 HH21 ARG B 11 -3.343 -8.842 0.395 1.00 1.76 H new ATOM 0 HH22 ARG B 11 -5.099 -8.730 0.556 1.00 1.76 H new ATOM 191 N ALA B 12 -2.339 -3.699 -4.753 1.00 0.24 N ATOM 192 CA ALA B 12 -2.568 -2.759 -5.892 1.00 0.28 C ATOM 193 C ALA B 12 -4.035 -2.331 -5.864 1.00 0.31 C ATOM 194 O ALA B 12 -4.391 -1.249 -6.286 1.00 0.33 O ATOM 195 CB ALA B 12 -2.254 -3.562 -7.155 1.00 0.34 C ATOM 0 H ALA B 12 -1.924 -4.598 -4.998 1.00 0.24 H new ATOM 0 HA ALA B 12 -1.951 -1.862 -5.845 1.00 0.28 H new ATOM 0 HB1 ALA B 12 -2.401 -2.932 -8.032 1.00 0.34 H new ATOM 0 HB2 ALA B 12 -1.219 -3.902 -7.122 1.00 0.34 H new ATOM 0 HB3 ALA B 12 -2.918 -4.425 -7.212 1.00 0.34 H new ATOM 201 N GLU B 13 -4.882 -3.172 -5.323 1.00 0.34 N ATOM 202 CA GLU B 13 -6.318 -2.816 -5.212 1.00 0.41 C ATOM 203 C GLU B 13 -6.472 -1.798 -4.086 1.00 0.38 C ATOM 204 O GLU B 13 -7.267 -0.883 -4.167 1.00 0.42 O ATOM 205 CB GLU B 13 -7.040 -4.123 -4.876 1.00 0.48 C ATOM 206 CG GLU B 13 -6.894 -5.102 -6.042 1.00 0.52 C ATOM 207 CD GLU B 13 -7.334 -6.499 -5.594 1.00 0.77 C ATOM 208 OE1 GLU B 13 -7.067 -6.845 -4.456 1.00 1.15 O ATOM 209 OE2 GLU B 13 -7.931 -7.196 -6.398 1.00 1.18 O ATOM 0 H GLU B 13 -4.634 -4.090 -4.955 1.00 0.34 H new ATOM 0 HA GLU B 13 -6.726 -2.376 -6.122 1.00 0.41 H new ATOM 0 HB2 GLU B 13 -6.623 -4.558 -3.968 1.00 0.48 H new ATOM 0 HB3 GLU B 13 -8.095 -3.928 -4.681 1.00 0.48 H new ATOM 0 HG2 GLU B 13 -7.499 -4.772 -6.886 1.00 0.52 H new ATOM 0 HG3 GLU B 13 -5.859 -5.127 -6.383 1.00 0.52 H new ATOM 216 N LYS B 14 -5.679 -1.925 -3.050 1.00 0.33 N ATOM 217 CA LYS B 14 -5.748 -0.935 -1.944 1.00 0.33 C ATOM 218 C LYS B 14 -5.029 0.324 -2.416 1.00 0.28 C ATOM 219 O LYS B 14 -5.436 1.439 -2.160 1.00 0.30 O ATOM 220 CB LYS B 14 -4.997 -1.583 -0.780 1.00 0.31 C ATOM 221 CG LYS B 14 -5.775 -2.799 -0.278 1.00 0.38 C ATOM 222 CD LYS B 14 -7.006 -2.333 0.500 1.00 1.23 C ATOM 223 CE LYS B 14 -8.147 -3.332 0.299 1.00 1.37 C ATOM 224 NZ LYS B 14 -9.380 -2.499 0.229 1.00 1.83 N ATOM 0 H LYS B 14 -4.992 -2.669 -2.928 1.00 0.33 H new ATOM 0 HA LYS B 14 -6.763 -0.669 -1.649 1.00 0.33 H new ATOM 0 HB2 LYS B 14 -4.000 -1.884 -1.101 1.00 0.31 H new ATOM 0 HB3 LYS B 14 -4.868 -0.863 0.028 1.00 0.31 H new ATOM 0 HG2 LYS B 14 -6.078 -3.422 -1.119 1.00 0.38 H new ATOM 0 HG3 LYS B 14 -5.139 -3.412 0.360 1.00 0.38 H new ATOM 0 HD2 LYS B 14 -6.768 -2.246 1.560 1.00 1.23 H new ATOM 0 HD3 LYS B 14 -7.311 -1.343 0.160 1.00 1.23 H new ATOM 0 HE2 LYS B 14 -8.009 -3.910 -0.614 1.00 1.37 H new ATOM 0 HE3 LYS B 14 -8.198 -4.044 1.123 1.00 1.37 H new ATOM 0 HZ1 LYS B 14 -10.203 -3.111 0.058 1.00 1.83 H new ATOM 0 HZ2 LYS B 14 -9.507 -1.991 1.127 1.00 1.83 H new ATOM 0 HZ3 LYS B 14 -9.292 -1.813 -0.547 1.00 1.83 H new ATOM 238 N GLN B 15 -3.963 0.120 -3.132 1.00 0.25 N ATOM 239 CA GLN B 15 -3.169 1.240 -3.687 1.00 0.24 C ATOM 240 C GLN B 15 -3.989 1.977 -4.737 1.00 0.28 C ATOM 241 O GLN B 15 -4.136 3.176 -4.692 1.00 0.28 O ATOM 242 CB GLN B 15 -1.962 0.549 -4.330 1.00 0.24 C ATOM 243 CG GLN B 15 -0.719 0.784 -3.479 1.00 0.25 C ATOM 244 CD GLN B 15 0.220 -0.413 -3.625 1.00 0.30 C ATOM 245 OE1 GLN B 15 1.263 -0.314 -4.240 1.00 0.35 O ATOM 246 NE2 GLN B 15 -0.115 -1.548 -3.078 1.00 0.33 N ATOM 0 H GLN B 15 -3.601 -0.806 -3.361 1.00 0.25 H new ATOM 0 HA GLN B 15 -2.877 1.977 -2.939 1.00 0.24 H new ATOM 0 HB2 GLN B 15 -2.152 -0.520 -4.426 1.00 0.24 H new ATOM 0 HB3 GLN B 15 -1.803 0.936 -5.337 1.00 0.24 H new ATOM 0 HG2 GLN B 15 -0.215 1.698 -3.794 1.00 0.25 H new ATOM 0 HG3 GLN B 15 -0.998 0.918 -2.434 1.00 0.25 H new ATOM 0 HE21 GLN B 15 -0.992 -1.627 -2.563 1.00 0.33 H new ATOM 0 HE22 GLN B 15 0.500 -2.357 -3.165 1.00 0.33 H new ATOM 255 N ALA B 16 -4.535 1.263 -5.679 1.00 0.35 N ATOM 256 CA ALA B 16 -5.360 1.933 -6.728 1.00 0.41 C ATOM 257 C ALA B 16 -6.585 2.573 -6.078 1.00 0.40 C ATOM 258 O ALA B 16 -7.125 3.542 -6.573 1.00 0.43 O ATOM 259 CB ALA B 16 -5.771 0.821 -7.693 1.00 0.48 C ATOM 0 H ALA B 16 -4.449 0.251 -5.771 1.00 0.35 H new ATOM 0 HA ALA B 16 -4.818 2.724 -7.247 1.00 0.41 H new ATOM 0 HB1 ALA B 16 -6.382 1.240 -8.493 1.00 0.48 H new ATOM 0 HB2 ALA B 16 -4.879 0.362 -8.120 1.00 0.48 H new ATOM 0 HB3 ALA B 16 -6.346 0.067 -7.155 1.00 0.48 H new ATOM 265 N GLN B 17 -7.012 2.058 -4.953 1.00 0.40 N ATOM 266 CA GLN B 17 -8.180 2.668 -4.262 1.00 0.42 C ATOM 267 C GLN B 17 -7.693 3.904 -3.523 1.00 0.37 C ATOM 268 O GLN B 17 -8.349 4.926 -3.478 1.00 0.40 O ATOM 269 CB GLN B 17 -8.674 1.604 -3.278 1.00 0.45 C ATOM 270 CG GLN B 17 -9.738 0.736 -3.948 1.00 0.53 C ATOM 271 CD GLN B 17 -10.629 0.105 -2.876 1.00 0.66 C ATOM 272 OE1 GLN B 17 -10.176 -0.187 -1.787 1.00 1.06 O ATOM 273 NE2 GLN B 17 -11.888 -0.122 -3.139 1.00 1.33 N ATOM 0 H GLN B 17 -6.603 1.247 -4.488 1.00 0.40 H new ATOM 0 HA GLN B 17 -8.979 2.966 -4.940 1.00 0.42 H new ATOM 0 HB2 GLN B 17 -7.840 0.984 -2.949 1.00 0.45 H new ATOM 0 HB3 GLN B 17 -9.087 2.081 -2.389 1.00 0.45 H new ATOM 0 HG2 GLN B 17 -10.340 1.339 -4.628 1.00 0.53 H new ATOM 0 HG3 GLN B 17 -9.264 -0.042 -4.547 1.00 0.53 H new ATOM 0 HE21 GLN B 17 -12.270 0.122 -4.053 1.00 1.33 H new ATOM 0 HE22 GLN B 17 -12.489 -0.544 -2.431 1.00 1.33 H new ATOM 282 N TRP B 18 -6.520 3.813 -2.974 1.00 0.32 N ATOM 283 CA TRP B 18 -5.929 4.970 -2.260 1.00 0.30 C ATOM 284 C TRP B 18 -5.421 5.971 -3.289 1.00 0.31 C ATOM 285 O TRP B 18 -5.665 7.159 -3.207 1.00 0.35 O ATOM 286 CB TRP B 18 -4.749 4.386 -1.488 1.00 0.25 C ATOM 287 CG TRP B 18 -3.951 5.506 -0.908 1.00 0.24 C ATOM 288 CD1 TRP B 18 -4.055 5.999 0.344 1.00 0.30 C ATOM 289 CD2 TRP B 18 -2.925 6.277 -1.563 1.00 0.24 C ATOM 290 NE1 TRP B 18 -3.158 7.049 0.479 1.00 0.31 N ATOM 291 CE2 TRP B 18 -2.432 7.245 -0.669 1.00 0.29 C ATOM 292 CE3 TRP B 18 -2.382 6.219 -2.840 1.00 0.28 C ATOM 293 CZ2 TRP B 18 -1.428 8.132 -1.044 1.00 0.34 C ATOM 294 CZ3 TRP B 18 -1.379 7.096 -3.218 1.00 0.36 C ATOM 295 CH2 TRP B 18 -0.900 8.050 -2.331 1.00 0.38 C ATOM 0 H TRP B 18 -5.938 2.975 -2.990 1.00 0.32 H new ATOM 0 HA TRP B 18 -6.639 5.477 -1.607 1.00 0.30 H new ATOM 0 HB2 TRP B 18 -5.105 3.727 -0.696 1.00 0.25 H new ATOM 0 HB3 TRP B 18 -4.127 3.783 -2.149 1.00 0.25 H new ATOM 0 HD1 TRP B 18 -4.724 5.637 1.111 1.00 0.30 H new ATOM 0 HE1 TRP B 18 -3.051 7.606 1.327 1.00 0.31 H new ATOM 0 HE3 TRP B 18 -2.745 5.484 -3.544 1.00 0.28 H new ATOM 0 HZ2 TRP B 18 -1.063 8.873 -0.348 1.00 0.34 H new ATOM 0 HZ3 TRP B 18 -0.965 7.037 -4.214 1.00 0.36 H new ATOM 0 HH2 TRP B 18 -0.118 8.729 -2.638 1.00 0.38 H new ATOM 306 N LYS B 19 -4.715 5.478 -4.262 1.00 0.30 N ATOM 307 CA LYS B 19 -4.168 6.357 -5.325 1.00 0.37 C ATOM 308 C LYS B 19 -5.328 7.059 -6.000 1.00 0.46 C ATOM 309 O LYS B 19 -5.237 8.202 -6.402 1.00 0.70 O ATOM 310 CB LYS B 19 -3.462 5.429 -6.314 1.00 0.40 C ATOM 311 CG LYS B 19 -2.110 4.978 -5.761 1.00 0.49 C ATOM 312 CD LYS B 19 -1.253 4.429 -6.904 1.00 0.96 C ATOM 313 CE LYS B 19 -0.351 3.310 -6.381 1.00 1.30 C ATOM 314 NZ LYS B 19 0.599 3.032 -7.494 1.00 1.92 N ATOM 0 H LYS B 19 -4.491 4.489 -4.367 1.00 0.30 H new ATOM 0 HA LYS B 19 -3.480 7.110 -4.940 1.00 0.37 H new ATOM 0 HB2 LYS B 19 -4.087 4.559 -6.514 1.00 0.40 H new ATOM 0 HB3 LYS B 19 -3.319 5.943 -7.264 1.00 0.40 H new ATOM 0 HG2 LYS B 19 -1.603 5.815 -5.281 1.00 0.49 H new ATOM 0 HG3 LYS B 19 -2.253 4.212 -4.999 1.00 0.49 H new ATOM 0 HD2 LYS B 19 -1.893 4.051 -7.702 1.00 0.96 H new ATOM 0 HD3 LYS B 19 -0.647 5.227 -7.333 1.00 0.96 H new ATOM 0 HE2 LYS B 19 0.177 3.617 -5.478 1.00 1.30 H new ATOM 0 HE3 LYS B 19 -0.930 2.423 -6.125 1.00 1.30 H new ATOM 0 HZ1 LYS B 19 1.438 2.544 -7.121 1.00 1.92 H new ATOM 0 HZ2 LYS B 19 0.135 2.430 -8.204 1.00 1.92 H new ATOM 0 HZ3 LYS B 19 0.888 3.928 -7.936 1.00 1.92 H new ATOM 328 N ALA B 20 -6.431 6.373 -6.118 1.00 0.44 N ATOM 329 CA ALA B 20 -7.612 6.995 -6.755 1.00 0.52 C ATOM 330 C ALA B 20 -8.028 8.233 -5.961 1.00 0.56 C ATOM 331 O ALA B 20 -8.573 9.176 -6.499 1.00 0.74 O ATOM 332 CB ALA B 20 -8.709 5.939 -6.703 1.00 0.55 C ATOM 0 H ALA B 20 -6.560 5.412 -5.800 1.00 0.44 H new ATOM 0 HA ALA B 20 -7.411 7.311 -7.779 1.00 0.52 H new ATOM 0 HB1 ALA B 20 -9.616 6.334 -7.160 1.00 0.55 H new ATOM 0 HB2 ALA B 20 -8.386 5.051 -7.247 1.00 0.55 H new ATOM 0 HB3 ALA B 20 -8.911 5.675 -5.665 1.00 0.55 H new ATOM 338 N ALA B 21 -7.763 8.234 -4.680 1.00 0.54 N ATOM 339 CA ALA B 21 -8.132 9.410 -3.845 1.00 0.66 C ATOM 340 C ALA B 21 -6.890 10.004 -3.194 1.00 0.73 C ATOM 341 O ALA B 21 -6.953 10.652 -2.169 1.00 0.99 O ATOM 342 CB ALA B 21 -9.100 8.871 -2.793 1.00 0.71 C ATOM 0 H ALA B 21 -7.308 7.471 -4.179 1.00 0.54 H new ATOM 0 HA ALA B 21 -8.587 10.207 -4.433 1.00 0.66 H new ATOM 0 HB1 ALA B 21 -9.416 9.684 -2.139 1.00 0.71 H new ATOM 0 HB2 ALA B 21 -9.972 8.442 -3.287 1.00 0.71 H new ATOM 0 HB3 ALA B 21 -8.603 8.102 -2.202 1.00 0.71 H new ATOM 348 N ASN B 22 -5.770 9.804 -3.814 1.00 0.73 N ATOM 349 CA ASN B 22 -4.493 10.367 -3.282 1.00 0.88 C ATOM 350 C ASN B 22 -3.478 10.547 -4.415 1.00 1.08 C ATOM 351 O ASN B 22 -2.346 10.119 -4.306 1.00 0.00 O ATOM 352 CB ASN B 22 -3.969 9.355 -2.267 1.00 0.93 C ATOM 353 CG ASN B 22 -4.935 9.259 -1.090 1.00 0.94 C ATOM 354 OD1 ASN B 22 -5.192 10.233 -0.411 1.00 1.13 O ATOM 355 ND2 ASN B 22 -5.481 8.112 -0.822 1.00 0.94 N ATOM 0 H ASN B 22 -5.676 9.269 -4.677 1.00 0.73 H new ATOM 0 HA ASN B 22 -4.653 11.344 -2.826 1.00 0.88 H new ATOM 0 HB2 ASN B 22 -3.856 8.378 -2.738 1.00 0.93 H new ATOM 0 HB3 ASN B 22 -2.982 9.655 -1.916 1.00 0.93 H new ATOM 0 HD21 ASN B 22 -6.129 8.026 -0.039 1.00 0.94 H new ATOM 0 HD22 ASN B 22 -5.262 7.297 -1.395 1.00 0.94 H new ATOM 362 N PRO B 23 -3.911 11.201 -5.459 1.00 0.00 N ATOM 363 CA PRO B 23 -3.023 11.470 -6.603 1.00 0.00 C ATOM 364 C PRO B 23 -2.006 12.507 -6.151 1.00 0.00 C ATOM 365 O PRO B 23 -0.883 12.543 -6.606 1.00 0.00 O ATOM 366 CB PRO B 23 -3.958 12.018 -7.676 1.00 0.00 C ATOM 367 CG PRO B 23 -5.121 12.569 -6.920 1.00 0.00 C ATOM 368 CD PRO B 23 -5.241 11.758 -5.655 1.00 0.00 C ATOM 0 HA PRO B 23 -2.472 10.606 -6.976 1.00 0.00 H new ATOM 0 HB2 PRO B 23 -3.470 12.791 -8.270 1.00 0.00 H new ATOM 0 HB3 PRO B 23 -4.270 11.235 -8.367 1.00 0.00 H new ATOM 0 HG2 PRO B 23 -4.968 13.624 -6.690 1.00 0.00 H new ATOM 0 HG3 PRO B 23 -6.034 12.501 -7.511 1.00 0.00 H new ATOM 0 HD2 PRO B 23 -5.541 12.379 -4.811 1.00 0.00 H new ATOM 0 HD3 PRO B 23 -5.991 10.973 -5.755 1.00 0.00 H new ATOM 376 N LEU B 24 -2.402 13.333 -5.216 1.00 0.00 N ATOM 377 CA LEU B 24 -1.473 14.362 -4.673 1.00 0.00 C ATOM 378 C LEU B 24 -0.217 13.664 -4.153 1.00 0.00 C ATOM 379 O LEU B 24 0.888 14.156 -4.270 1.00 0.00 O ATOM 380 CB LEU B 24 -2.263 15.044 -3.534 1.00 0.00 C ATOM 381 CG LEU B 24 -2.034 14.336 -2.179 1.00 0.00 C ATOM 382 CD1 LEU B 24 -2.510 15.251 -1.048 1.00 0.00 C ATOM 383 CD2 LEU B 24 -2.819 13.011 -2.117 1.00 0.00 C ATOM 0 H LEU B 24 -3.335 13.336 -4.805 1.00 0.00 H new ATOM 0 HA LEU B 24 -1.148 15.094 -5.412 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -1.960 16.088 -3.455 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -3.326 15.037 -3.773 1.00 0.00 H new ATOM 0 HG LEU B 24 -0.971 14.121 -2.072 1.00 0.00 H new ATOM 0 HD11 LEU B 24 -2.351 14.757 -0.089 1.00 0.00 H new ATOM 0 HD12 LEU B 24 -1.947 16.184 -1.073 1.00 0.00 H new ATOM 0 HD13 LEU B 24 -3.571 15.464 -1.175 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -2.644 12.529 -1.155 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -3.884 13.213 -2.233 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -2.485 12.353 -2.919 1.00 0.00 H new ATOM 395 N LEU B 25 -0.397 12.493 -3.612 1.00 0.00 N ATOM 396 CA LEU B 25 0.751 11.700 -3.111 1.00 0.00 C ATOM 397 C LEU B 25 1.056 10.645 -4.158 1.00 0.00 C ATOM 398 O LEU B 25 1.434 9.528 -3.867 1.00 0.00 O ATOM 399 CB LEU B 25 0.244 11.056 -1.821 1.00 0.00 C ATOM 400 CG LEU B 25 0.466 12.010 -0.645 1.00 0.00 C ATOM 401 CD1 LEU B 25 -0.710 11.899 0.331 1.00 0.00 C ATOM 402 CD2 LEU B 25 1.765 11.637 0.075 1.00 0.00 C ATOM 0 H LEU B 25 -1.307 12.047 -3.495 1.00 0.00 H new ATOM 0 HA LEU B 25 1.655 12.281 -2.927 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -0.816 10.819 -1.914 1.00 0.00 H new ATOM 0 HB3 LEU B 25 0.767 10.116 -1.643 1.00 0.00 H new ATOM 0 HG LEU B 25 0.536 13.033 -1.014 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -0.553 12.578 1.169 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -1.635 12.164 -0.182 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -0.780 10.876 0.701 1.00 0.00 H new ATOM 0 HD21 LEU B 25 1.924 12.316 0.913 1.00 0.00 H new ATOM 0 HD22 LEU B 25 1.695 10.614 0.445 1.00 0.00 H new ATOM 0 HD23 LEU B 25 2.601 11.715 -0.620 1.00 0.00 H new ATOM 414 N VAL B 26 0.847 11.010 -5.382 1.00 0.00 N ATOM 415 CA VAL B 26 1.055 10.072 -6.506 1.00 0.00 C ATOM 416 C VAL B 26 1.492 10.858 -7.746 1.00 0.00 C ATOM 417 O VAL B 26 0.876 11.838 -8.115 1.00 0.00 O ATOM 418 CB VAL B 26 -0.334 9.435 -6.683 1.00 0.00 C ATOM 419 CG1 VAL B 26 -0.758 9.462 -8.153 1.00 0.00 C ATOM 420 CG2 VAL B 26 -0.293 7.992 -6.185 1.00 0.00 C ATOM 0 H VAL B 26 0.533 11.941 -5.657 1.00 0.00 H new ATOM 0 HA VAL B 26 1.829 9.323 -6.338 1.00 0.00 H new ATOM 0 HB VAL B 26 -1.060 10.006 -6.105 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -1.743 9.007 -8.256 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -0.797 10.494 -8.502 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -0.036 8.904 -8.750 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -1.275 7.536 -6.308 1.00 0.00 H new ATOM 0 HG22 VAL B 26 0.443 7.429 -6.760 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -0.017 7.979 -5.131 1.00 0.00 H new ATOM 430 N GLY B 27 2.551 10.447 -8.384 1.00 0.00 N ATOM 431 CA GLY B 27 3.021 11.191 -9.588 1.00 0.00 C ATOM 432 C GLY B 27 3.351 12.626 -9.174 1.00 0.00 C ATOM 433 O GLY B 27 4.441 12.905 -8.718 1.00 0.00 O ATOM 0 H GLY B 27 3.110 9.633 -8.127 1.00 0.00 H new ATOM 0 HA2 GLY B 27 3.901 10.707 -10.012 1.00 0.00 H new ATOM 0 HA3 GLY B 27 2.252 11.187 -10.360 1.00 0.00 H new ATOM 437 N VAL B 28 2.406 13.530 -9.315 1.00 0.00 N ATOM 438 CA VAL B 28 2.635 14.963 -8.920 1.00 0.00 C ATOM 439 C VAL B 28 4.070 15.393 -9.221 1.00 0.00 C ATOM 440 O VAL B 28 4.735 14.839 -10.075 1.00 0.00 O ATOM 441 CB VAL B 28 2.366 15.019 -7.407 1.00 0.00 C ATOM 442 CG1 VAL B 28 1.017 14.368 -7.094 1.00 0.00 C ATOM 443 CG2 VAL B 28 3.478 14.289 -6.642 1.00 0.00 C ATOM 0 H VAL B 28 1.478 13.335 -9.690 1.00 0.00 H new ATOM 0 HA VAL B 28 1.985 15.638 -9.477 1.00 0.00 H new ATOM 0 HB VAL B 28 2.346 16.063 -7.094 1.00 0.00 H new ATOM 0 HG11 VAL B 28 0.833 14.411 -6.021 1.00 0.00 H new ATOM 0 HG12 VAL B 28 0.225 14.901 -7.620 1.00 0.00 H new ATOM 0 HG13 VAL B 28 1.031 13.327 -7.418 1.00 0.00 H new ATOM 0 HG21 VAL B 28 3.275 14.336 -5.572 1.00 0.00 H new ATOM 0 HG22 VAL B 28 3.514 13.247 -6.959 1.00 0.00 H new ATOM 0 HG23 VAL B 28 4.436 14.765 -6.851 1.00 0.00 H new ATOM 453 N SER B 29 4.554 16.362 -8.503 1.00 0.00 N ATOM 454 CA SER B 29 5.953 16.812 -8.712 1.00 0.00 C ATOM 455 C SER B 29 6.871 16.056 -7.751 1.00 0.00 C ATOM 456 O SER B 29 7.723 16.628 -7.099 1.00 0.00 O ATOM 457 CB SER B 29 5.952 18.310 -8.411 1.00 0.00 C ATOM 458 OG SER B 29 6.160 19.032 -9.618 1.00 0.00 O ATOM 0 H SER B 29 4.040 16.863 -7.779 1.00 0.00 H new ATOM 0 HA SER B 29 6.312 16.621 -9.723 1.00 0.00 H new ATOM 0 HB2 SER B 29 5.004 18.601 -7.958 1.00 0.00 H new ATOM 0 HB3 SER B 29 6.735 18.549 -7.691 1.00 0.00 H new ATOM 0 HG SER B 29 6.158 19.994 -9.428 1.00 0.00 H new ATOM 464 N ALA B 30 6.694 14.766 -7.668 1.00 0.00 N ATOM 465 CA ALA B 30 7.536 13.936 -6.762 1.00 0.00 C ATOM 466 C ALA B 30 7.980 12.673 -7.494 1.00 0.00 C ATOM 467 O ALA B 30 7.842 11.571 -7.001 1.00 0.00 O ATOM 468 CB ALA B 30 6.625 13.582 -5.585 1.00 0.00 C ATOM 0 H ALA B 30 5.993 14.246 -8.196 1.00 0.00 H new ATOM 0 HA ALA B 30 8.436 14.455 -6.432 1.00 0.00 H new ATOM 0 HB1 ALA B 30 7.175 12.969 -4.871 1.00 0.00 H new ATOM 0 HB2 ALA B 30 6.290 14.497 -5.096 1.00 0.00 H new ATOM 0 HB3 ALA B 30 5.760 13.028 -5.949 1.00 0.00 H new ATOM 474 N LYS B 31 8.506 12.831 -8.676 1.00 0.00 N ATOM 475 CA LYS B 31 8.957 11.648 -9.462 1.00 0.00 C ATOM 476 C LYS B 31 10.035 12.063 -10.473 1.00 0.00 C ATOM 477 O LYS B 31 9.723 12.537 -11.546 1.00 0.00 O ATOM 478 CB LYS B 31 7.701 11.151 -10.187 1.00 0.00 C ATOM 479 CG LYS B 31 7.055 12.305 -10.967 1.00 0.00 C ATOM 480 CD LYS B 31 6.990 11.949 -12.455 1.00 0.00 C ATOM 481 CE LYS B 31 5.697 12.500 -13.057 1.00 0.00 C ATOM 482 NZ LYS B 31 5.250 11.461 -14.027 1.00 0.00 N ATOM 0 H LYS B 31 8.644 13.732 -9.134 1.00 0.00 H new ATOM 0 HA LYS B 31 9.395 10.875 -8.831 1.00 0.00 H new ATOM 0 HB2 LYS B 31 7.961 10.341 -10.868 1.00 0.00 H new ATOM 0 HB3 LYS B 31 6.991 10.746 -9.466 1.00 0.00 H new ATOM 0 HG2 LYS B 31 6.053 12.499 -10.585 1.00 0.00 H new ATOM 0 HG3 LYS B 31 7.632 13.219 -10.827 1.00 0.00 H new ATOM 0 HD2 LYS B 31 7.852 12.364 -12.977 1.00 0.00 H new ATOM 0 HD3 LYS B 31 7.031 10.867 -12.583 1.00 0.00 H new ATOM 0 HE2 LYS B 31 4.945 12.671 -12.287 1.00 0.00 H new ATOM 0 HE3 LYS B 31 5.868 13.455 -13.553 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 4.366 11.768 -14.482 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 5.983 11.325 -14.752 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 5.088 10.564 -13.525 1.00 0.00 H new ATOM 496 N PRO B 32 11.274 11.872 -10.094 1.00 0.00 N ATOM 497 CA PRO B 32 12.403 12.236 -10.987 1.00 0.00 C ATOM 498 C PRO B 32 12.483 11.267 -12.170 1.00 0.00 C ATOM 499 O PRO B 32 12.155 10.102 -12.052 1.00 0.00 O ATOM 500 CB PRO B 32 13.630 12.106 -10.088 1.00 0.00 C ATOM 501 CG PRO B 32 13.225 11.138 -9.021 1.00 0.00 C ATOM 502 CD PRO B 32 11.741 11.307 -8.821 1.00 0.00 C ATOM 0 HA PRO B 32 12.304 13.232 -11.419 1.00 0.00 H new ATOM 0 HB2 PRO B 32 14.492 11.741 -10.646 1.00 0.00 H new ATOM 0 HB3 PRO B 32 13.911 13.069 -9.662 1.00 0.00 H new ATOM 0 HG2 PRO B 32 13.461 10.116 -9.316 1.00 0.00 H new ATOM 0 HG3 PRO B 32 13.765 11.335 -8.095 1.00 0.00 H new ATOM 0 HD2 PRO B 32 11.256 10.355 -8.605 1.00 0.00 H new ATOM 0 HD3 PRO B 32 11.524 11.972 -7.985 1.00 0.00 H new ATOM 510 N VAL B 33 12.912 11.741 -13.309 1.00 0.00 N ATOM 511 CA VAL B 33 13.009 10.848 -14.503 1.00 0.00 C ATOM 512 C VAL B 33 14.081 9.776 -14.281 1.00 0.00 C ATOM 513 O VAL B 33 13.983 8.675 -14.786 1.00 0.00 O ATOM 514 CB VAL B 33 13.392 11.771 -15.665 1.00 0.00 C ATOM 515 CG1 VAL B 33 14.740 12.437 -15.381 1.00 0.00 C ATOM 516 CG2 VAL B 33 13.493 10.950 -16.952 1.00 0.00 C ATOM 0 H VAL B 33 13.200 12.707 -13.466 1.00 0.00 H new ATOM 0 HA VAL B 33 12.076 10.320 -14.699 1.00 0.00 H new ATOM 0 HB VAL B 33 12.629 12.541 -15.777 1.00 0.00 H new ATOM 0 HG11 VAL B 33 15.005 13.091 -16.212 1.00 0.00 H new ATOM 0 HG12 VAL B 33 14.670 13.024 -14.465 1.00 0.00 H new ATOM 0 HG13 VAL B 33 15.507 11.671 -15.264 1.00 0.00 H new ATOM 0 HG21 VAL B 33 13.765 11.604 -17.780 1.00 0.00 H new ATOM 0 HG22 VAL B 33 14.254 10.179 -16.833 1.00 0.00 H new ATOM 0 HG23 VAL B 33 12.531 10.481 -17.161 1.00 0.00 H new ATOM 526 N ASN B 34 15.100 10.089 -13.524 1.00 0.00 N ATOM 527 CA ASN B 34 16.184 9.092 -13.258 1.00 0.00 C ATOM 528 C ASN B 34 16.709 8.495 -14.569 1.00 0.00 C ATOM 529 O ASN B 34 16.653 7.299 -14.782 1.00 0.00 O ATOM 530 CB ASN B 34 15.526 8.004 -12.402 1.00 0.00 C ATOM 531 CG ASN B 34 15.743 8.310 -10.918 1.00 0.00 C ATOM 532 OD1 ASN B 34 16.574 9.124 -10.566 1.00 0.00 O ATOM 533 ND2 ASN B 34 15.027 7.683 -10.024 1.00 0.00 N ATOM 0 H ASN B 34 15.230 10.996 -13.076 1.00 0.00 H new ATOM 0 HA ASN B 34 17.039 9.548 -12.758 1.00 0.00 H new ATOM 0 HB2 ASN B 34 14.459 7.953 -12.620 1.00 0.00 H new ATOM 0 HB3 ASN B 34 15.949 7.030 -12.648 1.00 0.00 H new ATOM 0 HD21 ASN B 34 15.166 7.877 -9.032 1.00 0.00 H new ATOM 0 HD22 ASN B 34 14.329 7.000 -10.317 1.00 0.00 H new ATOM 540 N ARG B 35 17.216 9.317 -15.450 1.00 0.00 N ATOM 541 CA ARG B 35 17.740 8.789 -16.745 1.00 0.00 C ATOM 542 C ARG B 35 19.263 8.584 -16.676 1.00 0.00 C ATOM 543 O ARG B 35 19.736 7.482 -16.866 1.00 0.00 O ATOM 544 CB ARG B 35 17.378 9.847 -17.789 1.00 0.00 C ATOM 545 CG ARG B 35 16.202 9.352 -18.633 1.00 0.00 C ATOM 546 CD ARG B 35 15.723 10.476 -19.554 1.00 0.00 C ATOM 547 NE ARG B 35 14.373 10.045 -20.024 1.00 0.00 N ATOM 548 CZ ARG B 35 13.652 10.827 -20.790 1.00 0.00 C ATOM 549 NH1 ARG B 35 14.100 12.000 -21.158 1.00 0.00 N ATOM 550 NH2 ARG B 35 12.475 10.429 -21.190 1.00 0.00 N ATOM 0 H ARG B 35 17.290 10.327 -15.330 1.00 0.00 H new ATOM 0 HA ARG B 35 17.311 7.817 -16.990 1.00 0.00 H new ATOM 0 HB2 ARG B 35 17.117 10.784 -17.297 1.00 0.00 H new ATOM 0 HB3 ARG B 35 18.237 10.051 -18.428 1.00 0.00 H new ATOM 0 HG2 ARG B 35 16.504 8.487 -19.224 1.00 0.00 H new ATOM 0 HG3 ARG B 35 15.388 9.027 -17.985 1.00 0.00 H new ATOM 0 HD2 ARG B 35 15.671 11.426 -19.022 1.00 0.00 H new ATOM 0 HD3 ARG B 35 16.406 10.617 -20.392 1.00 0.00 H new ATOM 0 HE ARG B 35 14.008 9.134 -19.746 1.00 0.00 H new ATOM 0 HH11 ARG B 35 15.020 12.315 -20.849 1.00 0.00 H new ATOM 0 HH12 ARG B 35 13.530 12.600 -21.754 1.00 0.00 H new ATOM 0 HH21 ARG B 35 12.122 9.515 -20.906 1.00 0.00 H new ATOM 0 HH22 ARG B 35 11.908 11.032 -21.786 1.00 0.00 H new ATOM 564 N PRO B 36 19.991 9.645 -16.408 1.00 0.00 N ATOM 565 CA PRO B 36 21.468 9.536 -16.328 1.00 0.00 C ATOM 566 C PRO B 36 21.885 8.887 -15.006 1.00 0.00 C ATOM 567 O PRO B 36 21.919 9.589 -14.008 1.00 0.00 O ATOM 568 CB PRO B 36 21.942 10.984 -16.392 1.00 0.00 C ATOM 569 CG PRO B 36 20.791 11.797 -15.888 1.00 0.00 C ATOM 570 CD PRO B 36 19.528 11.020 -16.161 1.00 0.00 C ATOM 571 OXT PRO B 36 22.163 7.699 -15.013 1.00 0.00 O ATOM 0 HA PRO B 36 21.893 8.919 -17.119 1.00 0.00 H new ATOM 0 HB2 PRO B 36 22.830 11.135 -15.778 1.00 0.00 H new ATOM 0 HB3 PRO B 36 22.207 11.267 -17.411 1.00 0.00 H new ATOM 0 HG2 PRO B 36 20.898 11.991 -14.821 1.00 0.00 H new ATOM 0 HG3 PRO B 36 20.760 12.766 -16.386 1.00 0.00 H new ATOM 0 HD2 PRO B 36 18.844 11.063 -15.313 1.00 0.00 H new ATOM 0 HD3 PRO B 36 18.993 11.420 -17.023 1.00 0.00 H new TER 579 PRO B 36 ATOM 580 P G A 1 12.687 -16.568 -0.709 1.00 1.31 P ATOM 581 OP1 G A 1 13.980 -16.090 -0.156 1.00 1.51 O ATOM 582 OP2 G A 1 12.642 -17.144 -2.077 1.00 1.52 O ATOM 583 O5' G A 1 12.082 -17.638 0.304 1.00 1.09 O ATOM 584 C5' G A 1 12.219 -17.468 1.727 1.00 1.03 C ATOM 585 C4' G A 1 11.048 -18.102 2.442 1.00 0.94 C ATOM 586 O4' G A 1 11.354 -18.167 3.858 1.00 1.02 O ATOM 587 C3' G A 1 9.763 -17.295 2.396 1.00 0.80 C ATOM 588 O3' G A 1 9.063 -17.522 1.166 1.00 0.75 O ATOM 589 C2' G A 1 9.010 -17.804 3.624 1.00 0.78 C ATOM 590 O2' G A 1 8.295 -19.005 3.414 1.00 0.77 O ATOM 591 C1' G A 1 10.153 -18.067 4.603 1.00 0.90 C ATOM 592 N9 G A 1 10.288 -16.973 5.556 1.00 0.90 N ATOM 593 C8 G A 1 11.181 -15.931 5.517 1.00 0.97 C ATOM 594 N7 G A 1 11.021 -15.086 6.499 1.00 0.99 N ATOM 595 C5 G A 1 9.961 -15.608 7.229 1.00 0.90 C ATOM 596 C6 G A 1 9.322 -15.121 8.392 1.00 0.88 C ATOM 597 O6 G A 1 9.579 -14.101 9.036 1.00 0.94 O ATOM 598 N1 G A 1 8.279 -15.953 8.797 1.00 0.82 N ATOM 599 C2 G A 1 7.906 -17.108 8.153 1.00 0.81 C ATOM 600 N2 G A 1 6.879 -17.785 8.689 1.00 0.83 N ATOM 601 N3 G A 1 8.493 -17.569 7.064 1.00 0.83 N ATOM 602 C4 G A 1 9.504 -16.775 6.661 1.00 0.86 C ATOM 0 H5' G A 1 12.272 -16.407 1.971 1.00 1.03 H new ATOM 0 H5'' G A 1 13.151 -17.920 2.067 1.00 1.03 H new ATOM 0 H4' G A 1 10.901 -19.059 1.942 1.00 0.94 H new ATOM 0 H3' G A 1 9.905 -16.215 2.421 1.00 0.80 H new ATOM 0 H2' G A 1 8.250 -17.092 3.946 1.00 0.78 H new ATOM 0 HO2' G A 1 8.896 -19.683 3.041 1.00 0.77 H new ATOM 0 H1' G A 1 9.946 -18.984 5.155 1.00 0.90 H new ATOM 0 H8 G A 1 11.937 -15.822 4.754 1.00 0.97 H new ATOM 0 H1 G A 1 7.756 -15.685 9.631 1.00 0.82 H new ATOM 0 H21 G A 1 6.557 -18.650 8.255 1.00 0.83 H new ATOM 0 H22 G A 1 6.421 -17.435 9.530 1.00 0.83 H new ATOM 614 P C A 2 8.199 -18.863 0.958 1.00 0.69 P ATOM 615 OP1 C A 2 8.905 -19.991 1.617 1.00 0.84 O ATOM 616 OP2 C A 2 7.870 -18.951 -0.487 1.00 0.82 O ATOM 617 O5' C A 2 6.846 -18.561 1.744 1.00 0.58 O ATOM 618 C5' C A 2 6.417 -17.202 1.969 1.00 0.57 C ATOM 619 C4' C A 2 5.231 -17.173 2.905 1.00 0.55 C ATOM 620 O4' C A 2 5.713 -17.020 4.264 1.00 0.54 O ATOM 621 C3' C A 2 4.304 -15.989 2.693 1.00 0.51 C ATOM 622 O3' C A 2 3.313 -16.305 1.719 1.00 0.59 O ATOM 623 C2' C A 2 3.677 -15.791 4.069 1.00 0.53 C ATOM 624 O2' C A 2 2.532 -16.599 4.268 1.00 0.67 O ATOM 625 C1' C A 2 4.800 -16.234 5.009 1.00 0.51 C ATOM 626 N1 C A 2 5.544 -15.110 5.593 1.00 0.45 N ATOM 627 C2 C A 2 5.111 -14.591 6.813 1.00 0.44 C ATOM 628 O2 C A 2 4.110 -15.088 7.349 1.00 0.49 O ATOM 629 N3 C A 2 5.788 -13.565 7.374 1.00 0.43 N ATOM 630 C4 C A 2 6.859 -13.059 6.759 1.00 0.45 C ATOM 631 N4 C A 2 7.501 -12.052 7.355 1.00 0.49 N ATOM 632 C5 C A 2 7.321 -13.567 5.510 1.00 0.47 C ATOM 633 C6 C A 2 6.639 -14.585 4.967 1.00 0.46 C ATOM 0 H5' C A 2 6.151 -16.736 1.020 1.00 0.57 H new ATOM 0 H5'' C A 2 7.236 -16.620 2.391 1.00 0.57 H new ATOM 0 H4' C A 2 4.689 -18.099 2.714 1.00 0.55 H new ATOM 0 H3' C A 2 4.812 -15.097 2.326 1.00 0.51 H new ATOM 0 H2' C A 2 3.330 -14.769 4.221 1.00 0.53 H new ATOM 0 HO2' C A 2 2.226 -16.951 3.406 1.00 0.67 H new ATOM 0 H1' C A 2 4.340 -16.786 5.829 1.00 0.51 H new ATOM 0 H41 C A 2 8.324 -11.640 6.915 1.00 0.49 H new ATOM 0 H42 C A 2 7.169 -11.695 8.251 1.00 0.49 H new ATOM 0 H5 C A 2 8.187 -13.148 5.020 1.00 0.47 H new ATOM 0 H6 C A 2 6.960 -14.996 4.021 1.00 0.46 H new ATOM 645 P C A 3 2.603 -15.124 0.893 1.00 0.67 P ATOM 646 OP1 C A 3 2.249 -15.644 -0.452 1.00 1.20 O ATOM 647 OP2 C A 3 3.462 -13.919 1.010 1.00 1.00 O ATOM 648 O5' C A 3 1.254 -14.853 1.696 1.00 0.89 O ATOM 649 C5' C A 3 0.866 -13.514 2.055 1.00 0.68 C ATOM 650 C4' C A 3 0.390 -13.476 3.488 1.00 0.61 C ATOM 651 O4' C A 3 1.546 -13.558 4.358 1.00 0.67 O ATOM 652 C3' C A 3 -0.283 -12.176 3.886 1.00 0.56 C ATOM 653 O3' C A 3 -1.672 -12.196 3.529 1.00 0.57 O ATOM 654 C2' C A 3 -0.043 -12.110 5.393 1.00 0.57 C ATOM 655 O2' C A 3 -0.991 -12.819 6.163 1.00 0.64 O ATOM 656 C1' C A 3 1.320 -12.792 5.529 1.00 0.62 C ATOM 657 N1 C A 3 2.420 -11.824 5.652 1.00 0.61 N ATOM 658 C2 C A 3 2.491 -11.023 6.794 1.00 0.56 C ATOM 659 O2 C A 3 1.624 -11.153 7.669 1.00 0.55 O ATOM 660 N3 C A 3 3.500 -10.130 6.914 1.00 0.58 N ATOM 661 C4 C A 3 4.412 -10.022 5.948 1.00 0.65 C ATOM 662 N4 C A 3 5.391 -9.128 6.107 1.00 0.71 N ATOM 663 C5 C A 3 4.364 -10.827 4.772 1.00 0.71 C ATOM 664 C6 C A 3 3.360 -11.706 4.666 1.00 0.68 C ATOM 0 H5' C A 3 0.074 -13.167 1.392 1.00 0.68 H new ATOM 0 H5'' C A 3 1.710 -12.836 1.926 1.00 0.68 H new ATOM 0 H4' C A 3 -0.320 -14.298 3.579 1.00 0.61 H new ATOM 0 H3' C A 3 0.109 -11.294 3.379 1.00 0.56 H new ATOM 0 H2' C A 3 -0.107 -11.085 5.758 1.00 0.57 H new ATOM 0 HO2' C A 3 -1.111 -13.717 5.789 1.00 0.64 H new ATOM 0 H1' C A 3 1.302 -13.404 6.431 1.00 0.62 H new ATOM 0 H41 C A 3 6.105 -9.020 5.387 1.00 0.71 H new ATOM 0 H42 C A 3 5.425 -8.553 6.949 1.00 0.71 H new ATOM 0 H5 C A 3 5.109 -10.731 3.996 1.00 0.71 H new ATOM 0 H6 C A 3 3.291 -12.332 3.788 1.00 0.68 H new ATOM 676 P C A 4 -2.742 -12.957 4.457 1.00 0.57 P ATOM 677 OP1 C A 4 -2.102 -14.170 5.027 1.00 0.73 O ATOM 678 OP2 C A 4 -3.989 -13.096 3.662 1.00 0.60 O ATOM 679 O5' C A 4 -3.031 -11.914 5.627 1.00 0.61 O ATOM 680 C5' C A 4 -2.997 -10.497 5.367 1.00 0.51 C ATOM 681 C4' C A 4 -2.920 -9.724 6.660 1.00 0.47 C ATOM 682 O4' C A 4 -1.590 -9.868 7.211 1.00 0.55 O ATOM 683 C3' C A 4 -3.110 -8.226 6.497 1.00 0.45 C ATOM 684 O3' C A 4 -4.495 -7.903 6.579 1.00 0.51 O ATOM 685 C2' C A 4 -2.338 -7.651 7.679 1.00 0.47 C ATOM 686 O2' C A 4 -3.118 -7.571 8.858 1.00 0.57 O ATOM 687 C1' C A 4 -1.211 -8.668 7.860 1.00 0.48 C ATOM 688 N1 C A 4 0.061 -8.224 7.275 1.00 0.43 N ATOM 689 C2 C A 4 0.790 -7.218 7.914 1.00 0.39 C ATOM 690 O2 C A 4 0.333 -6.708 8.948 1.00 0.43 O ATOM 691 N3 C A 4 1.971 -6.827 7.388 1.00 0.38 N ATOM 692 C4 C A 4 2.422 -7.400 6.270 1.00 0.45 C ATOM 693 N4 C A 4 3.589 -6.994 5.785 1.00 0.51 N ATOM 694 C5 C A 4 1.695 -8.417 5.598 1.00 0.51 C ATOM 695 C6 C A 4 0.531 -8.795 6.126 1.00 0.48 C ATOM 0 H5' C A 4 -3.888 -10.202 4.812 1.00 0.51 H new ATOM 0 H5'' C A 4 -2.138 -10.257 4.741 1.00 0.51 H new ATOM 0 H4' C A 4 -3.717 -10.125 7.286 1.00 0.47 H new ATOM 0 H3' C A 4 -2.763 -7.837 5.540 1.00 0.45 H new ATOM 0 H2' C A 4 -2.006 -6.629 7.497 1.00 0.47 H new ATOM 0 HO2' C A 4 -4.012 -7.932 8.684 1.00 0.57 H new ATOM 0 H1' C A 4 -1.058 -8.800 8.931 1.00 0.48 H new ATOM 0 H41 C A 4 3.960 -7.413 4.932 1.00 0.51 H new ATOM 0 H42 C A 4 4.114 -6.263 6.265 1.00 0.51 H new ATOM 0 H5 C A 4 2.071 -8.868 4.692 1.00 0.51 H new ATOM 0 H6 C A 4 -0.049 -9.564 5.638 1.00 0.48 H new ATOM 707 P U A 5 -5.067 -6.639 5.771 1.00 0.57 P ATOM 708 OP1 U A 5 -6.545 -6.626 5.917 1.00 0.77 O ATOM 709 OP2 U A 5 -4.469 -6.677 4.420 1.00 0.62 O ATOM 710 O5' U A 5 -4.479 -5.389 6.561 1.00 0.49 O ATOM 711 C5' U A 5 -4.902 -5.124 7.907 1.00 0.45 C ATOM 712 C4' U A 5 -4.124 -3.975 8.498 1.00 0.41 C ATOM 713 O4' U A 5 -2.759 -4.389 8.740 1.00 0.47 O ATOM 714 C3' U A 5 -3.969 -2.764 7.597 1.00 0.35 C ATOM 715 O3' U A 5 -5.141 -1.949 7.674 1.00 0.36 O ATOM 716 C2' U A 5 -2.747 -2.069 8.189 1.00 0.41 C ATOM 717 O2' U A 5 -3.072 -1.184 9.243 1.00 0.50 O ATOM 718 C1' U A 5 -1.929 -3.245 8.728 1.00 0.43 C ATOM 719 N1 U A 5 -0.736 -3.520 7.916 1.00 0.43 N ATOM 720 C2 U A 5 0.347 -2.698 8.125 1.00 0.40 C ATOM 721 O2 U A 5 0.330 -1.785 8.936 1.00 0.39 O ATOM 722 N3 U A 5 1.443 -2.976 7.354 1.00 0.43 N ATOM 723 C4 U A 5 1.565 -3.964 6.410 1.00 0.50 C ATOM 724 O4 U A 5 2.622 -4.071 5.783 1.00 0.54 O ATOM 725 C5 U A 5 0.401 -4.780 6.247 1.00 0.55 C ATOM 726 C6 U A 5 -0.691 -4.537 6.990 1.00 0.51 C ATOM 0 H5' U A 5 -4.763 -6.016 8.519 1.00 0.45 H new ATOM 0 H5'' U A 5 -5.967 -4.892 7.919 1.00 0.45 H new ATOM 0 H4' U A 5 -4.698 -3.704 9.384 1.00 0.41 H new ATOM 0 H3' U A 5 -3.846 -2.996 6.539 1.00 0.35 H new ATOM 0 H2' U A 5 -2.233 -1.449 7.454 1.00 0.41 H new ATOM 0 HO2' U A 5 -3.256 -1.698 10.057 1.00 0.50 H new ATOM 0 H1' U A 5 -1.583 -2.990 9.730 1.00 0.43 H new ATOM 0 H3 U A 5 2.260 -2.383 7.497 1.00 0.43 H new ATOM 0 H5 U A 5 0.401 -5.588 5.530 1.00 0.55 H new ATOM 0 H6 U A 5 -1.563 -5.160 6.856 1.00 0.51 H new ATOM 737 P G A 6 -5.026 -0.347 7.553 1.00 0.43 P ATOM 738 OP1 G A 6 -5.020 0.223 8.925 1.00 0.65 O ATOM 739 OP2 G A 6 -6.058 0.097 6.582 1.00 0.54 O ATOM 740 O5' G A 6 -3.597 -0.088 6.900 1.00 0.43 O ATOM 741 C5' G A 6 -2.660 0.823 7.510 1.00 0.47 C ATOM 742 C4' G A 6 -1.991 1.670 6.451 1.00 0.47 C ATOM 743 O4' G A 6 -0.579 1.344 6.425 1.00 0.53 O ATOM 744 C3' G A 6 -2.467 1.400 5.034 1.00 0.39 C ATOM 745 O3' G A 6 -3.598 2.211 4.729 1.00 0.41 O ATOM 746 C2' G A 6 -1.264 1.795 4.187 1.00 0.48 C ATOM 747 O2' G A 6 -1.245 3.175 3.874 1.00 0.59 O ATOM 748 C1' G A 6 -0.087 1.447 5.101 1.00 0.49 C ATOM 749 N9 G A 6 0.543 0.176 4.757 1.00 0.50 N ATOM 750 C8 G A 6 -0.006 -1.074 4.882 1.00 0.60 C ATOM 751 N7 G A 6 0.802 -2.030 4.511 1.00 0.63 N ATOM 752 C5 G A 6 1.956 -1.368 4.112 1.00 0.54 C ATOM 753 C6 G A 6 3.174 -1.879 3.587 1.00 0.55 C ATOM 754 O6 G A 6 3.494 -3.056 3.393 1.00 0.61 O ATOM 755 N1 G A 6 4.072 -0.860 3.282 1.00 0.55 N ATOM 756 C2 G A 6 3.826 0.480 3.462 1.00 0.57 C ATOM 757 N2 G A 6 4.815 1.318 3.107 1.00 0.70 N ATOM 758 N3 G A 6 2.696 0.969 3.953 1.00 0.53 N ATOM 759 C4 G A 6 1.812 -0.006 4.254 1.00 0.49 C ATOM 0 H5' G A 6 -1.908 0.264 8.067 1.00 0.47 H new ATOM 0 H5'' G A 6 -3.177 1.463 8.225 1.00 0.47 H new ATOM 0 H4' G A 6 -2.225 2.700 6.719 1.00 0.47 H new ATOM 0 H3' G A 6 -2.783 0.370 4.867 1.00 0.39 H new ATOM 0 H2' G A 6 -1.257 1.289 3.222 1.00 0.48 H new ATOM 0 HO2' G A 6 -0.362 3.419 3.526 1.00 0.59 H new ATOM 0 H1' G A 6 0.662 2.231 4.989 1.00 0.49 H new ATOM 0 H8 G A 6 -1.006 -1.250 5.250 1.00 0.60 H new ATOM 0 H1 G A 6 4.978 -1.127 2.897 1.00 0.55 H new ATOM 0 H21 G A 6 4.694 2.325 3.216 1.00 0.70 H new ATOM 0 H22 G A 6 5.686 0.947 2.729 1.00 0.70 H new ATOM 771 P A A 7 -4.427 1.943 3.378 1.00 0.43 P ATOM 772 OP1 A A 7 -5.189 3.181 3.072 1.00 0.74 O ATOM 773 OP2 A A 7 -5.149 0.653 3.522 1.00 0.66 O ATOM 774 O5' A A 7 -3.301 1.766 2.267 1.00 0.33 O ATOM 775 C5' A A 7 -3.651 1.487 0.899 1.00 0.29 C ATOM 776 C4' A A 7 -2.636 2.098 -0.033 1.00 0.23 C ATOM 777 O4' A A 7 -2.703 3.537 0.076 1.00 0.23 O ATOM 778 C3' A A 7 -1.188 1.796 0.305 1.00 0.25 C ATOM 779 O3' A A 7 -0.811 0.544 -0.248 1.00 0.27 O ATOM 780 C2' A A 7 -0.440 2.942 -0.371 1.00 0.24 C ATOM 781 O2' A A 7 -0.131 2.678 -1.725 1.00 0.25 O ATOM 782 C1' A A 7 -1.449 4.085 -0.279 1.00 0.21 C ATOM 783 N9 A A 7 -1.073 5.084 0.720 1.00 0.24 N ATOM 784 C8 A A 7 -1.666 5.340 1.932 1.00 0.29 C ATOM 785 N7 A A 7 -1.085 6.300 2.610 1.00 0.33 N ATOM 786 C5 A A 7 -0.043 6.706 1.788 1.00 0.30 C ATOM 787 C6 A A 7 0.945 7.695 1.930 1.00 0.34 C ATOM 788 N6 A A 7 1.054 8.486 2.999 1.00 0.39 N ATOM 789 N1 A A 7 1.832 7.844 0.921 1.00 0.35 N ATOM 790 C2 A A 7 1.723 7.049 -0.152 1.00 0.32 C ATOM 791 N3 A A 7 0.839 6.087 -0.399 1.00 0.27 N ATOM 792 C4 A A 7 -0.025 5.965 0.622 1.00 0.25 C ATOM 0 H5' A A 7 -4.642 1.885 0.681 1.00 0.29 H new ATOM 0 H5'' A A 7 -3.699 0.410 0.741 1.00 0.29 H new ATOM 0 H4' A A 7 -2.886 1.681 -1.009 1.00 0.23 H new ATOM 0 H3' A A 7 -0.987 1.727 1.374 1.00 0.25 H new ATOM 0 H2' A A 7 0.524 3.138 0.099 1.00 0.24 H new ATOM 0 HO2' A A 7 0.842 2.655 -1.840 1.00 0.25 H new ATOM 0 H1' A A 7 -1.483 4.586 -1.246 1.00 0.21 H new ATOM 0 H8 A A 7 -2.530 4.801 2.293 1.00 0.29 H new ATOM 0 H61 A A 7 1.795 9.186 3.042 1.00 0.39 H new ATOM 0 H62 A A 7 0.397 8.390 3.773 1.00 0.39 H new ATOM 0 H2 A A 7 2.458 7.213 -0.926 1.00 0.32 H new ATOM 804 P A A 8 0.020 -0.499 0.643 1.00 0.37 P ATOM 805 OP1 A A 8 -0.358 -1.867 0.210 1.00 0.44 O ATOM 806 OP2 A A 8 -0.144 -0.109 2.066 1.00 0.47 O ATOM 807 O5' A A 8 1.532 -0.227 0.226 1.00 0.38 O ATOM 808 C5' A A 8 1.857 0.200 -1.108 1.00 0.39 C ATOM 809 C4' A A 8 2.898 1.291 -1.072 1.00 0.43 C ATOM 810 O4' A A 8 2.302 2.486 -0.514 1.00 0.37 O ATOM 811 C3' A A 8 4.073 1.011 -0.152 1.00 0.53 C ATOM 812 O3' A A 8 5.080 0.233 -0.806 1.00 0.66 O ATOM 813 C2' A A 8 4.583 2.412 0.170 1.00 0.50 C ATOM 814 O2' A A 8 5.452 2.920 -0.821 1.00 0.58 O ATOM 815 C1' A A 8 3.287 3.227 0.185 1.00 0.38 C ATOM 816 N9 A A 8 2.791 3.472 1.537 1.00 0.36 N ATOM 817 C8 A A 8 1.777 2.818 2.188 1.00 0.42 C ATOM 818 N7 A A 8 1.550 3.268 3.398 1.00 0.47 N ATOM 819 C5 A A 8 2.481 4.285 3.556 1.00 0.41 C ATOM 820 C6 A A 8 2.776 5.139 4.633 1.00 0.44 C ATOM 821 N6 A A 8 2.114 5.124 5.792 1.00 0.54 N ATOM 822 N1 A A 8 3.787 6.021 4.477 1.00 0.40 N ATOM 823 C2 A A 8 4.450 6.036 3.314 1.00 0.36 C ATOM 824 N3 A A 8 4.265 5.286 2.228 1.00 0.35 N ATOM 825 C4 A A 8 3.254 4.420 2.417 1.00 0.35 C ATOM 0 H5' A A 8 0.959 0.561 -1.610 1.00 0.39 H new ATOM 0 H5'' A A 8 2.227 -0.646 -1.687 1.00 0.39 H new ATOM 0 H4' A A 8 3.247 1.378 -2.101 1.00 0.43 H new ATOM 0 H3' A A 8 3.799 0.432 0.730 1.00 0.53 H new ATOM 0 H2' A A 8 5.162 2.439 1.093 1.00 0.50 H new ATOM 0 HO2' A A 8 5.000 2.906 -1.691 1.00 0.58 H new ATOM 0 H1' A A 8 3.492 4.194 -0.275 1.00 0.38 H new ATOM 0 H8 A A 8 1.217 2.007 1.745 1.00 0.42 H new ATOM 0 H61 A A 8 2.376 5.770 6.537 1.00 0.54 H new ATOM 0 H62 A A 8 1.347 4.467 5.932 1.00 0.54 H new ATOM 0 H2 A A 8 5.249 6.759 3.246 1.00 0.36 H new ATOM 837 P A A 9 5.164 0.211 -2.412 1.00 1.47 P ATOM 838 OP1 A A 9 5.255 1.619 -2.873 1.00 2.33 O ATOM 839 OP2 A A 9 4.077 -0.660 -2.925 1.00 2.35 O ATOM 840 O5' A A 9 6.559 -0.495 -2.716 1.00 1.08 O ATOM 841 C5' A A 9 7.695 -0.282 -1.859 1.00 1.04 C ATOM 842 C4' A A 9 8.454 0.946 -2.298 1.00 1.09 C ATOM 843 O4' A A 9 7.900 1.411 -3.552 1.00 1.26 O ATOM 844 C3' A A 9 8.304 2.139 -1.374 1.00 0.99 C ATOM 845 O3' A A 9 9.243 2.076 -0.309 1.00 1.17 O ATOM 846 C2' A A 9 8.593 3.314 -2.298 1.00 1.26 C ATOM 847 O2' A A 9 9.976 3.571 -2.435 1.00 1.57 O ATOM 848 C1' A A 9 8.017 2.820 -3.628 1.00 1.29 C ATOM 849 N9 A A 9 6.686 3.362 -3.902 1.00 0.00 N ATOM 850 C8 A A 9 5.946 4.215 -3.120 1.00 0.00 C ATOM 851 N7 A A 9 4.782 4.526 -3.634 1.00 0.00 N ATOM 852 C5 A A 9 4.750 3.829 -4.834 1.00 0.00 C ATOM 853 C6 A A 9 3.761 3.695 -5.824 1.00 0.00 C ATOM 854 N6 A A 9 2.587 4.330 -5.790 1.00 0.00 N ATOM 855 N1 A A 9 4.024 2.877 -6.865 1.00 0.00 N ATOM 856 C2 A A 9 5.201 2.240 -6.898 1.00 0.00 C ATOM 857 N3 A A 9 6.208 2.286 -6.031 1.00 0.00 N ATOM 858 C4 A A 9 5.916 3.107 -5.010 1.00 0.00 C ATOM 0 H5' A A 9 8.350 -1.153 -1.887 1.00 1.04 H new ATOM 0 H5'' A A 9 7.365 -0.165 -0.827 1.00 1.04 H new ATOM 0 H4' A A 9 9.498 0.634 -2.334 1.00 1.09 H new ATOM 0 H3' A A 9 7.327 2.200 -0.894 1.00 0.99 H new ATOM 0 H2' A A 9 8.170 4.249 -1.931 1.00 1.26 H new ATOM 0 HO2' A A 9 10.464 3.131 -1.708 1.00 1.57 H new ATOM 0 H1' A A 9 8.685 3.147 -4.425 1.00 1.29 H new ATOM 0 H8 A A 9 6.292 4.594 -2.170 1.00 0.00 H new ATOM 0 H61 A A 9 1.910 4.191 -6.540 1.00 0.00 H new ATOM 0 H62 A A 9 2.367 4.954 -5.014 1.00 0.00 H new ATOM 0 H2 A A 9 5.355 1.596 -7.751 1.00 0.00 H new ATOM 870 P A A 10 8.868 1.284 1.039 1.00 1.33 P ATOM 871 OP1 A A 10 9.403 -0.096 0.930 1.00 2.11 O ATOM 872 OP2 A A 10 7.414 1.491 1.307 1.00 2.10 O ATOM 873 O5' A A 10 9.689 2.049 2.168 1.00 0.79 O ATOM 874 C5' A A 10 9.276 1.980 3.539 1.00 0.59 C ATOM 875 C4' A A 10 9.349 3.343 4.183 1.00 0.54 C ATOM 876 O4' A A 10 8.088 4.018 3.967 1.00 0.50 O ATOM 877 C3' A A 10 9.510 3.292 5.690 1.00 0.50 C ATOM 878 O3' A A 10 10.891 3.246 6.044 1.00 0.61 O ATOM 879 C2' A A 10 8.834 4.571 6.165 1.00 0.50 C ATOM 880 O2' A A 10 9.707 5.685 6.162 1.00 0.61 O ATOM 881 C1' A A 10 7.736 4.765 5.117 1.00 0.48 C ATOM 882 N9 A A 10 6.444 4.247 5.556 1.00 0.45 N ATOM 883 C8 A A 10 5.712 3.270 4.937 1.00 0.45 C ATOM 884 N7 A A 10 4.585 2.988 5.543 1.00 0.51 N ATOM 885 C5 A A 10 4.579 3.837 6.641 1.00 0.54 C ATOM 886 C6 A A 10 3.681 3.995 7.712 1.00 0.64 C ATOM 887 N6 A A 10 2.540 3.309 7.829 1.00 0.72 N ATOM 888 N1 A A 10 3.999 4.890 8.671 1.00 0.69 N ATOM 889 C2 A A 10 5.144 5.575 8.554 1.00 0.66 C ATOM 890 N3 A A 10 6.066 5.517 7.597 1.00 0.58 N ATOM 891 C4 A A 10 5.720 4.620 6.661 1.00 0.51 C ATOM 0 H5' A A 10 9.912 1.281 4.082 1.00 0.59 H new ATOM 0 H5'' A A 10 8.257 1.597 3.599 1.00 0.59 H new ATOM 0 H4' A A 10 10.212 3.841 3.740 1.00 0.54 H new ATOM 0 H3' A A 10 9.070 2.406 6.147 1.00 0.50 H new ATOM 0 H2' A A 10 8.481 4.495 7.193 1.00 0.50 H new ATOM 0 HO2' A A 10 10.635 5.373 6.117 1.00 0.61 H new ATOM 0 H1' A A 10 7.650 5.836 4.933 1.00 0.48 H new ATOM 0 H8 A A 10 6.034 2.777 4.032 1.00 0.45 H new ATOM 0 H61 A A 10 1.929 3.468 8.630 1.00 0.72 H new ATOM 0 H62 A A 10 2.280 2.626 7.117 1.00 0.72 H new ATOM 0 H2 A A 10 5.348 6.275 9.351 1.00 0.66 H new ATOM 903 P A A 11 11.339 2.525 7.408 1.00 0.62 P ATOM 904 OP1 A A 11 12.452 3.307 8.005 1.00 0.77 O ATOM 905 OP2 A A 11 11.535 1.084 7.107 1.00 0.65 O ATOM 906 O5' A A 11 10.066 2.663 8.355 1.00 0.58 O ATOM 907 C5' A A 11 9.914 3.794 9.232 1.00 0.56 C ATOM 908 C4' A A 11 8.574 3.735 9.928 1.00 0.49 C ATOM 909 O4' A A 11 7.554 3.504 8.925 1.00 0.46 O ATOM 910 C3' A A 11 8.421 2.583 10.906 1.00 0.47 C ATOM 911 O3' A A 11 8.889 2.984 12.199 1.00 0.51 O ATOM 912 C2' A A 11 6.919 2.319 10.891 1.00 0.43 C ATOM 913 O2' A A 11 6.207 3.146 11.793 1.00 0.47 O ATOM 914 C1' A A 11 6.531 2.686 9.458 1.00 0.42 C ATOM 915 N9 A A 11 6.400 1.528 8.573 1.00 0.41 N ATOM 916 C8 A A 11 7.334 1.042 7.692 1.00 0.46 C ATOM 917 N7 A A 11 6.923 0.005 7.003 1.00 0.47 N ATOM 918 C5 A A 11 5.633 -0.212 7.465 1.00 0.42 C ATOM 919 C6 A A 11 4.660 -1.176 7.143 1.00 0.43 C ATOM 920 N6 A A 11 4.826 -2.136 6.224 1.00 0.49 N ATOM 921 N1 A A 11 3.487 -1.124 7.808 1.00 0.40 N ATOM 922 C2 A A 11 3.308 -0.168 8.727 1.00 0.37 C ATOM 923 N3 A A 11 4.142 0.793 9.115 1.00 0.37 N ATOM 924 C4 A A 11 5.299 0.716 8.438 1.00 0.39 C ATOM 0 H5' A A 11 9.996 4.720 8.662 1.00 0.56 H new ATOM 0 H5'' A A 11 10.716 3.802 9.970 1.00 0.56 H new ATOM 0 H4' A A 11 8.486 4.675 10.472 1.00 0.49 H new ATOM 0 H3' A A 11 8.995 1.692 10.650 1.00 0.47 H new ATOM 0 H2' A A 11 6.685 1.297 11.188 1.00 0.43 H new ATOM 0 HO2' A A 11 6.235 2.752 12.690 1.00 0.47 H new ATOM 0 H1' A A 11 5.561 3.181 9.507 1.00 0.42 H new ATOM 0 H8 A A 11 8.317 1.474 7.577 1.00 0.46 H new ATOM 0 H61 A A 11 4.076 -2.803 6.042 1.00 0.49 H new ATOM 0 H62 A A 11 5.702 -2.200 5.706 1.00 0.49 H new ATOM 0 H2 A A 11 2.350 -0.178 9.225 1.00 0.37 H new ATOM 936 P G A 12 8.380 2.219 13.523 1.00 0.56 P ATOM 937 OP1 G A 12 6.943 1.912 13.348 1.00 0.68 O ATOM 938 OP2 G A 12 8.811 3.023 14.695 1.00 0.65 O ATOM 939 O5' G A 12 9.219 0.860 13.554 1.00 0.50 O ATOM 940 C5' G A 12 8.748 -0.348 12.909 1.00 0.47 C ATOM 941 C4' G A 12 7.250 -0.472 13.040 1.00 0.42 C ATOM 942 O4' G A 12 6.684 -0.250 11.728 1.00 0.40 O ATOM 943 C3' G A 12 6.736 -1.844 13.437 1.00 0.39 C ATOM 944 O3' G A 12 6.690 -1.974 14.855 1.00 0.43 O ATOM 945 C2' G A 12 5.333 -1.862 12.839 1.00 0.35 C ATOM 946 O2' G A 12 4.371 -1.263 13.685 1.00 0.37 O ATOM 947 C1' G A 12 5.512 -1.022 11.573 1.00 0.35 C ATOM 948 N9 G A 12 5.687 -1.857 10.391 1.00 0.33 N ATOM 949 C8 G A 12 6.750 -1.841 9.522 1.00 0.36 C ATOM 950 N7 G A 12 6.630 -2.705 8.552 1.00 0.36 N ATOM 951 C5 G A 12 5.416 -3.331 8.799 1.00 0.33 C ATOM 952 C6 G A 12 4.748 -4.351 8.077 1.00 0.36 C ATOM 953 O6 G A 12 5.113 -4.929 7.049 1.00 0.40 O ATOM 954 N1 G A 12 3.532 -4.687 8.667 1.00 0.36 N ATOM 955 C2 G A 12 3.031 -4.114 9.810 1.00 0.34 C ATOM 956 N2 G A 12 1.846 -4.582 10.232 1.00 0.37 N ATOM 957 N3 G A 12 3.643 -3.161 10.491 1.00 0.31 N ATOM 958 C4 G A 12 4.822 -2.820 9.931 1.00 0.31 C ATOM 0 H5' G A 12 9.231 -1.217 13.356 1.00 0.47 H new ATOM 0 H5'' G A 12 9.026 -0.336 11.855 1.00 0.47 H new ATOM 0 H4' G A 12 6.971 0.238 13.818 1.00 0.42 H new ATOM 0 H3' G A 12 7.364 -2.664 13.087 1.00 0.39 H new ATOM 0 H2' G A 12 4.966 -2.875 12.672 1.00 0.35 H new ATOM 0 HO2' G A 12 4.727 -1.206 14.596 1.00 0.37 H new ATOM 0 H1' G A 12 4.622 -0.408 11.438 1.00 0.35 H new ATOM 0 H8 G A 12 7.598 -1.181 9.630 1.00 0.36 H new ATOM 0 H1 G A 12 2.973 -5.412 8.217 1.00 0.36 H new ATOM 0 H21 G A 12 1.418 -4.200 11.075 1.00 0.37 H new ATOM 0 H22 G A 12 1.374 -5.320 9.710 1.00 0.37 H new ATOM 970 P G A 13 7.252 -3.309 15.551 1.00 0.51 P ATOM 971 OP1 G A 13 7.500 -2.993 16.981 1.00 0.59 O ATOM 972 OP2 G A 13 8.357 -3.842 14.715 1.00 0.57 O ATOM 973 O5' G A 13 6.028 -4.328 15.474 1.00 0.57 O ATOM 974 C5' G A 13 4.788 -4.043 16.145 1.00 0.62 C ATOM 975 C4' G A 13 3.743 -5.060 15.766 1.00 0.60 C ATOM 976 O4' G A 13 3.346 -4.814 14.395 1.00 0.59 O ATOM 977 C3' G A 13 4.239 -6.492 15.769 1.00 0.59 C ATOM 978 O3' G A 13 4.117 -7.077 17.068 1.00 0.66 O ATOM 979 C2' G A 13 3.326 -7.170 14.753 1.00 0.57 C ATOM 980 O2' G A 13 2.116 -7.650 15.309 1.00 0.63 O ATOM 981 C1' G A 13 3.039 -6.041 13.762 1.00 0.54 C ATOM 982 N9 G A 13 3.852 -6.151 12.556 1.00 0.50 N ATOM 983 C8 G A 13 4.984 -5.439 12.245 1.00 0.54 C ATOM 984 N7 G A 13 5.497 -5.770 11.091 1.00 0.56 N ATOM 985 C5 G A 13 4.650 -6.760 10.612 1.00 0.50 C ATOM 986 C6 G A 13 4.700 -7.510 9.407 1.00 0.53 C ATOM 987 O6 G A 13 5.527 -7.441 8.490 1.00 0.60 O ATOM 988 N1 G A 13 3.648 -8.418 9.322 1.00 0.51 N ATOM 989 C2 G A 13 2.675 -8.581 10.280 1.00 0.48 C ATOM 990 N2 G A 13 1.741 -9.508 10.022 1.00 0.52 N ATOM 991 N3 G A 13 2.620 -7.891 11.405 1.00 0.47 N ATOM 992 C4 G A 13 3.630 -7.005 11.505 1.00 0.47 C ATOM 0 H5' G A 13 4.445 -3.043 15.880 1.00 0.62 H new ATOM 0 H5'' G A 13 4.940 -4.053 17.224 1.00 0.62 H new ATOM 0 H4' G A 13 2.948 -4.953 16.504 1.00 0.60 H new ATOM 0 H3' G A 13 5.295 -6.587 15.518 1.00 0.59 H new ATOM 0 H2' G A 13 3.792 -8.056 14.321 1.00 0.57 H new ATOM 0 HO2' G A 13 1.643 -6.913 15.748 1.00 0.63 H new ATOM 0 H1' G A 13 1.991 -6.100 13.469 1.00 0.54 H new ATOM 0 H8 G A 13 5.407 -4.682 12.889 1.00 0.54 H new ATOM 0 H1 G A 13 3.595 -9.005 8.489 1.00 0.51 H new ATOM 0 H21 G A 13 0.992 -9.677 10.693 1.00 0.52 H new ATOM 0 H22 G A 13 1.780 -10.044 9.155 1.00 0.52 H new ATOM 1004 P G A 14 2.690 -7.102 17.815 1.00 0.74 P ATOM 1005 OP1 G A 14 1.715 -6.303 17.032 1.00 0.90 O ATOM 1006 OP2 G A 14 2.935 -6.765 19.241 1.00 0.80 O ATOM 1007 O5' G A 14 2.251 -8.632 17.744 1.00 0.68 O ATOM 1008 C5' G A 14 3.200 -9.655 17.387 1.00 0.70 C ATOM 1009 C4' G A 14 2.526 -10.733 16.576 1.00 0.68 C ATOM 1010 O4' G A 14 2.406 -10.261 15.213 1.00 0.67 O ATOM 1011 C3' G A 14 3.322 -12.019 16.462 1.00 0.67 C ATOM 1012 O3' G A 14 3.034 -12.889 17.550 1.00 0.77 O ATOM 1013 C2' G A 14 2.834 -12.605 15.143 1.00 0.67 C ATOM 1014 O2' G A 14 1.650 -13.365 15.284 1.00 0.80 O ATOM 1015 C1' G A 14 2.544 -11.349 14.320 1.00 0.61 C ATOM 1016 N9 G A 14 3.631 -11.033 13.401 1.00 0.50 N ATOM 1017 C8 G A 14 4.587 -10.059 13.557 1.00 0.50 C ATOM 1018 N7 G A 14 5.440 -10.018 12.570 1.00 0.47 N ATOM 1019 C5 G A 14 5.021 -11.026 11.713 1.00 0.41 C ATOM 1020 C6 G A 14 5.559 -11.460 10.475 1.00 0.40 C ATOM 1021 O6 G A 14 6.546 -11.021 9.873 1.00 0.45 O ATOM 1022 N1 G A 14 4.827 -12.518 9.936 1.00 0.41 N ATOM 1023 C2 G A 14 3.719 -13.080 10.524 1.00 0.46 C ATOM 1024 N2 G A 14 3.147 -14.092 9.858 1.00 0.55 N ATOM 1025 N3 G A 14 3.210 -12.684 11.677 1.00 0.49 N ATOM 1026 C4 G A 14 3.905 -11.660 12.211 1.00 0.44 C ATOM 0 H5' G A 14 3.636 -10.087 18.288 1.00 0.70 H new ATOM 0 H5'' G A 14 4.018 -9.218 16.815 1.00 0.70 H new ATOM 0 H4' G A 14 1.584 -10.938 17.084 1.00 0.68 H new ATOM 0 H3' G A 14 4.401 -11.866 16.488 1.00 0.67 H new ATOM 0 H2' G A 14 3.559 -13.291 14.705 1.00 0.67 H new ATOM 0 HO2' G A 14 1.381 -13.716 14.410 1.00 0.80 H new ATOM 0 H1' G A 14 1.640 -11.527 13.738 1.00 0.61 H new ATOM 0 H8 G A 14 4.628 -9.396 14.408 1.00 0.50 H new ATOM 0 H1 G A 14 5.136 -12.902 9.043 1.00 0.41 H new ATOM 0 H21 G A 14 2.321 -14.552 10.241 1.00 0.55 H new ATOM 0 H22 G A 14 3.537 -14.402 8.968 1.00 0.55 H new ATOM 1038 P C A 15 4.154 -13.925 18.056 1.00 0.87 P ATOM 1039 OP1 C A 15 3.717 -14.486 19.360 1.00 1.02 O ATOM 1040 OP2 C A 15 5.468 -13.242 17.953 1.00 0.91 O ATOM 1041 O5' C A 15 4.110 -15.088 16.970 1.00 0.85 O ATOM 1042 C5' C A 15 2.873 -15.748 16.650 1.00 0.94 C ATOM 1043 C4' C A 15 3.046 -16.623 15.431 1.00 0.97 C ATOM 1044 O4' C A 15 3.223 -15.788 14.263 1.00 0.84 O ATOM 1045 C3' C A 15 4.302 -17.472 15.442 1.00 1.09 C ATOM 1046 O3' C A 15 4.093 -18.685 16.175 1.00 1.31 O ATOM 1047 C2' C A 15 4.521 -17.763 13.961 1.00 1.09 C ATOM 1048 O2' C A 15 3.814 -18.905 13.514 1.00 1.30 O ATOM 1049 C1' C A 15 3.966 -16.503 13.293 1.00 0.89 C ATOM 1050 N1 C A 15 5.038 -15.636 12.787 1.00 0.75 N ATOM 1051 C2 C A 15 5.715 -16.021 11.628 1.00 0.77 C ATOM 1052 O2 C A 15 5.380 -17.068 11.056 1.00 0.89 O ATOM 1053 N3 C A 15 6.713 -15.249 11.160 1.00 0.70 N ATOM 1054 C4 C A 15 7.044 -14.131 11.799 1.00 0.66 C ATOM 1055 N4 C A 15 8.037 -13.410 11.294 1.00 0.71 N ATOM 1056 C5 C A 15 6.372 -13.708 12.981 1.00 0.64 C ATOM 1057 C6 C A 15 5.381 -14.485 13.439 1.00 0.66 C ATOM 0 H5' C A 15 2.095 -15.007 16.467 1.00 0.94 H new ATOM 0 H5'' C A 15 2.546 -16.352 17.496 1.00 0.94 H new ATOM 0 H4' C A 15 2.159 -17.256 15.424 1.00 0.97 H new ATOM 0 H3' C A 15 5.152 -16.984 15.919 1.00 1.09 H new ATOM 0 H2' C A 15 5.565 -17.978 13.734 1.00 1.09 H new ATOM 0 HO2' C A 15 3.621 -19.490 14.277 1.00 1.30 H new ATOM 0 HO3' C A 15 4.916 -19.218 16.167 1.00 1.31 H new ATOM 0 H1' C A 15 3.347 -16.799 12.446 1.00 0.89 H new ATOM 0 H41 C A 15 8.324 -12.545 11.752 1.00 0.71 H new ATOM 0 H42 C A 15 8.514 -13.721 10.447 1.00 0.71 H new ATOM 0 H5 C A 15 6.650 -12.796 13.489 1.00 0.64 H new ATOM 0 H6 C A 15 4.847 -14.198 14.333 1.00 0.66 H new TER 1069 C A 15