USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 460 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 G O2' : rot 46:sc= -5.95! USER MOD Single : A 2 C O2' : rot -93:sc= 0.598 USER MOD Single : A 3 C O2' : rot 49:sc= -6.35! USER MOD Single : A 4 C O2' : rot 52:sc= -5.92! USER MOD Single : A 5 U O2' : rot -15:sc= 0.0497 USER MOD Single : A 6 G O2' : rot -165:sc= -0.0627 USER MOD Single : A 7 A O2' : rot 180:sc= -4.64! USER MOD Single : A 8 A O2' : rot 48:sc= -2.39! USER MOD Single : A 9 A O2' : rot -17:sc= 0.12 USER MOD Single : A 10 A O2' : rot -26:sc= 0.137 USER MOD Single : A 11 A O2' : rot -83:sc= -0.874! USER MOD Single : A 12 G O2' : rot -14:sc= 0.156 USER MOD Single : A 13 G O2' : rot -114:sc= -0.795 USER MOD Single : A 14 G O2' : rot 180:sc= -1.97! USER MOD Single : A 15 C O2' : rot -18:sc= 0.198 USER MOD Single : A 15 C O3' : rot 180:sc= 0.181 USER MOD Single : B 4 GLN : amide:sc= -1.38 K(o=-1.4,f=-2.2) USER MOD Single : B 5 THR OG1 : rot 180:sc= 0.00128 USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 GLN : amide:sc= -3.6! C(o=-3.6!,f=-2.5!) USER MOD Single : B 17 GLN : amide:sc= -0.0867 X(o=-0.087,f=-0.019) USER MOD Single : B 19 LYS NZ :NH3+ 146:sc= -1.48 (180deg=-2.99!) USER MOD Single : B 22 ASN : amide:sc= -6.36! C(o=-6.4!,f=-5.6!) USER MOD Single : B 29 SER OG : rot -59:sc= 1.13 USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= -0.343 (180deg=-0.343) USER MOD Single : B 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP B 2 10.147 -12.406 -1.210 1.00 0.76 N ATOM 2 CA ASP B 2 9.636 -12.308 0.190 1.00 0.88 C ATOM 3 C ASP B 2 8.120 -12.484 0.211 1.00 0.68 C ATOM 4 O ASP B 2 7.526 -12.986 -0.725 1.00 0.66 O ATOM 5 CB ASP B 2 10.009 -10.901 0.670 1.00 1.25 C ATOM 6 CG ASP B 2 11.482 -10.618 0.367 1.00 1.88 C ATOM 7 OD1 ASP B 2 12.294 -11.500 0.593 1.00 2.35 O ATOM 8 OD2 ASP B 2 11.774 -9.522 -0.085 1.00 2.37 O ATOM 0 HA ASP B 2 10.063 -13.080 0.830 1.00 0.88 H new ATOM 0 HB2 ASP B 2 9.379 -10.161 0.177 1.00 1.25 H new ATOM 0 HB3 ASP B 2 9.826 -10.813 1.741 1.00 1.25 H new ATOM 15 N ALA B 3 7.493 -12.070 1.274 1.00 0.63 N ATOM 16 CA ALA B 3 6.010 -12.205 1.373 1.00 0.58 C ATOM 17 C ALA B 3 5.352 -10.830 1.396 1.00 0.63 C ATOM 18 O ALA B 3 4.333 -10.613 0.772 1.00 0.61 O ATOM 19 CB ALA B 3 5.760 -12.939 2.687 1.00 0.75 C ATOM 0 H ALA B 3 7.943 -11.642 2.083 1.00 0.63 H new ATOM 0 HA ALA B 3 5.592 -12.742 0.522 1.00 0.58 H new ATOM 0 HB1 ALA B 3 4.688 -13.075 2.829 1.00 0.75 H new ATOM 0 HB2 ALA B 3 6.249 -13.913 2.659 1.00 0.75 H new ATOM 0 HB3 ALA B 3 6.164 -12.354 3.513 1.00 0.75 H new ATOM 25 N GLN B 4 5.925 -9.897 2.103 1.00 0.75 N ATOM 26 CA GLN B 4 5.322 -8.536 2.146 1.00 0.89 C ATOM 27 C GLN B 4 5.500 -7.875 0.797 1.00 0.79 C ATOM 28 O GLN B 4 4.541 -7.488 0.155 1.00 0.81 O ATOM 29 CB GLN B 4 6.091 -7.772 3.223 1.00 1.09 C ATOM 30 CG GLN B 4 5.437 -6.405 3.444 1.00 1.29 C ATOM 31 CD GLN B 4 6.286 -5.584 4.415 1.00 0.85 C ATOM 32 OE1 GLN B 4 6.893 -6.124 5.318 1.00 1.14 O ATOM 33 NE2 GLN B 4 6.357 -4.291 4.264 1.00 0.94 N ATOM 0 H GLN B 4 6.778 -10.016 2.649 1.00 0.75 H new ATOM 0 HA GLN B 4 4.256 -8.560 2.370 1.00 0.89 H new ATOM 0 HB2 GLN B 4 6.096 -8.340 4.154 1.00 1.09 H new ATOM 0 HB3 GLN B 4 7.131 -7.645 2.922 1.00 1.09 H new ATOM 0 HG2 GLN B 4 5.340 -5.879 2.494 1.00 1.29 H new ATOM 0 HG3 GLN B 4 4.430 -6.532 3.842 1.00 1.29 H new ATOM 0 HE21 GLN B 4 5.847 -3.837 3.506 1.00 0.94 H new ATOM 0 HE22 GLN B 4 6.922 -3.733 4.904 1.00 0.94 H new ATOM 42 N THR B 5 6.716 -7.768 0.343 1.00 0.76 N ATOM 43 CA THR B 5 6.945 -7.163 -0.996 1.00 0.79 C ATOM 44 C THR B 5 6.008 -7.851 -1.984 1.00 0.59 C ATOM 45 O THR B 5 5.468 -7.243 -2.887 1.00 0.57 O ATOM 46 CB THR B 5 8.404 -7.452 -1.338 1.00 0.94 C ATOM 47 OG1 THR B 5 9.246 -6.894 -0.338 1.00 1.26 O ATOM 48 CG2 THR B 5 8.723 -6.824 -2.690 1.00 0.94 C ATOM 0 H THR B 5 7.555 -8.071 0.837 1.00 0.76 H new ATOM 0 HA THR B 5 6.753 -6.091 -1.025 1.00 0.79 H new ATOM 0 HB THR B 5 8.571 -8.528 -1.382 1.00 0.94 H new ATOM 0 HG1 THR B 5 10.183 -7.081 -0.557 1.00 1.26 H new ATOM 0 HG21 THR B 5 9.763 -7.023 -2.947 1.00 0.94 H new ATOM 0 HG22 THR B 5 8.072 -7.252 -3.453 1.00 0.94 H new ATOM 0 HG23 THR B 5 8.562 -5.747 -2.638 1.00 0.94 H new ATOM 56 N ARG B 6 5.779 -9.120 -1.771 1.00 0.48 N ATOM 57 CA ARG B 6 4.837 -9.873 -2.639 1.00 0.46 C ATOM 58 C ARG B 6 3.430 -9.420 -2.318 1.00 0.43 C ATOM 59 O ARG B 6 2.617 -9.180 -3.190 1.00 0.45 O ATOM 60 CB ARG B 6 4.976 -11.333 -2.221 1.00 0.56 C ATOM 61 CG ARG B 6 5.548 -12.161 -3.378 1.00 0.78 C ATOM 62 CD ARG B 6 4.550 -13.255 -3.766 1.00 1.03 C ATOM 63 NE ARG B 6 4.461 -14.142 -2.569 1.00 0.88 N ATOM 64 CZ ARG B 6 3.588 -15.121 -2.529 1.00 0.73 C ATOM 65 NH1 ARG B 6 2.781 -15.340 -3.536 1.00 1.43 N ATOM 66 NH2 ARG B 6 3.523 -15.887 -1.473 1.00 1.26 N ATOM 0 H ARG B 6 6.209 -9.668 -1.026 1.00 0.48 H new ATOM 0 HA ARG B 6 5.040 -9.723 -3.699 1.00 0.46 H new ATOM 0 HB2 ARG B 6 5.629 -11.410 -1.351 1.00 0.56 H new ATOM 0 HB3 ARG B 6 4.004 -11.729 -1.926 1.00 0.56 H new ATOM 0 HG2 ARG B 6 5.750 -11.518 -4.235 1.00 0.78 H new ATOM 0 HG3 ARG B 6 6.498 -12.608 -3.084 1.00 0.78 H new ATOM 0 HD2 ARG B 6 3.577 -12.831 -4.016 1.00 1.03 H new ATOM 0 HD3 ARG B 6 4.891 -13.807 -4.642 1.00 1.03 H new ATOM 0 HE ARG B 6 5.083 -13.986 -1.776 1.00 0.88 H new ATOM 0 HH11 ARG B 6 2.826 -14.746 -4.364 1.00 1.43 H new ATOM 0 HH12 ARG B 6 2.107 -16.104 -3.492 1.00 1.43 H new ATOM 0 HH21 ARG B 6 4.149 -15.723 -0.685 1.00 1.26 H new ATOM 0 HH22 ARG B 6 2.846 -16.649 -1.437 1.00 1.26 H new ATOM 80 N ARG B 7 3.139 -9.318 -1.051 1.00 0.61 N ATOM 81 CA ARG B 7 1.783 -8.897 -0.640 1.00 0.80 C ATOM 82 C ARG B 7 1.487 -7.520 -1.234 1.00 0.65 C ATOM 83 O ARG B 7 0.370 -7.217 -1.601 1.00 0.56 O ATOM 84 CB ARG B 7 1.841 -8.859 0.889 1.00 1.16 C ATOM 85 CG ARG B 7 0.740 -7.955 1.459 1.00 1.10 C ATOM 86 CD ARG B 7 1.170 -7.444 2.836 1.00 0.92 C ATOM 87 NE ARG B 7 1.064 -5.956 2.751 1.00 0.41 N ATOM 88 CZ ARG B 7 1.957 -5.256 2.096 1.00 0.93 C ATOM 89 NH1 ARG B 7 2.964 -5.843 1.503 1.00 1.61 N ATOM 90 NH2 ARG B 7 1.839 -3.959 2.038 1.00 1.08 N ATOM 0 H ARG B 7 3.786 -9.509 -0.286 1.00 0.61 H new ATOM 0 HA ARG B 7 0.992 -9.563 -0.985 1.00 0.80 H new ATOM 0 HB2 ARG B 7 1.730 -9.868 1.286 1.00 1.16 H new ATOM 0 HB3 ARG B 7 2.817 -8.496 1.211 1.00 1.16 H new ATOM 0 HG2 ARG B 7 0.558 -7.116 0.787 1.00 1.10 H new ATOM 0 HG3 ARG B 7 -0.196 -8.508 1.539 1.00 1.10 H new ATOM 0 HD2 ARG B 7 0.527 -7.841 3.622 1.00 0.92 H new ATOM 0 HD3 ARG B 7 2.188 -7.754 3.071 1.00 0.92 H new ATOM 0 HE ARG B 7 0.287 -5.479 3.209 1.00 0.41 H new ATOM 0 HH11 ARG B 7 3.061 -6.857 1.547 1.00 1.61 H new ATOM 0 HH12 ARG B 7 3.652 -5.286 0.996 1.00 1.61 H new ATOM 0 HH21 ARG B 7 1.056 -3.497 2.500 1.00 1.08 H new ATOM 0 HH22 ARG B 7 2.530 -3.406 1.530 1.00 1.08 H new ATOM 104 N ARG B 8 2.493 -6.692 -1.346 1.00 0.68 N ATOM 105 CA ARG B 8 2.289 -5.336 -1.939 1.00 0.67 C ATOM 106 C ARG B 8 1.637 -5.489 -3.296 1.00 0.48 C ATOM 107 O ARG B 8 0.720 -4.768 -3.641 1.00 0.50 O ATOM 108 CB ARG B 8 3.690 -4.742 -2.077 1.00 0.77 C ATOM 109 CG ARG B 8 3.605 -3.215 -2.119 1.00 0.73 C ATOM 110 CD ARG B 8 3.420 -2.669 -0.701 1.00 0.73 C ATOM 111 NE ARG B 8 4.593 -3.182 0.070 1.00 0.85 N ATOM 112 CZ ARG B 8 5.783 -2.660 -0.094 1.00 1.05 C ATOM 113 NH1 ARG B 8 5.973 -1.677 -0.935 1.00 1.43 N ATOM 114 NH2 ARG B 8 6.791 -3.125 0.591 1.00 1.16 N ATOM 0 H ARG B 8 3.448 -6.896 -1.052 1.00 0.68 H new ATOM 0 HA ARG B 8 1.648 -4.698 -1.331 1.00 0.67 H new ATOM 0 HB2 ARG B 8 4.313 -5.058 -1.240 1.00 0.77 H new ATOM 0 HB3 ARG B 8 4.165 -5.114 -2.985 1.00 0.77 H new ATOM 0 HG2 ARG B 8 4.511 -2.803 -2.562 1.00 0.73 H new ATOM 0 HG3 ARG B 8 2.772 -2.905 -2.750 1.00 0.73 H new ATOM 0 HD2 ARG B 8 3.393 -1.579 -0.699 1.00 0.73 H new ATOM 0 HD3 ARG B 8 2.481 -3.012 -0.266 1.00 0.73 H new ATOM 0 HE ARG B 8 4.465 -3.948 0.732 1.00 0.85 H new ATOM 0 HH11 ARG B 8 5.189 -1.307 -1.473 1.00 1.43 H new ATOM 0 HH12 ARG B 8 6.905 -1.280 -1.053 1.00 1.43 H new ATOM 0 HH21 ARG B 8 6.650 -3.891 1.250 1.00 1.16 H new ATOM 0 HH22 ARG B 8 7.720 -2.723 0.468 1.00 1.16 H new ATOM 128 N GLU B 9 2.062 -6.459 -4.049 1.00 0.38 N ATOM 129 CA GLU B 9 1.408 -6.686 -5.363 1.00 0.34 C ATOM 130 C GLU B 9 -0.045 -7.032 -5.080 1.00 0.31 C ATOM 131 O GLU B 9 -0.947 -6.657 -5.805 1.00 0.34 O ATOM 132 CB GLU B 9 2.150 -7.859 -6.008 1.00 0.40 C ATOM 133 CG GLU B 9 3.631 -7.505 -6.176 1.00 0.59 C ATOM 134 CD GLU B 9 3.948 -7.311 -7.660 1.00 1.24 C ATOM 135 OE1 GLU B 9 4.058 -8.307 -8.357 1.00 1.73 O ATOM 136 OE2 GLU B 9 4.076 -6.170 -8.074 1.00 1.88 O ATOM 0 H GLU B 9 2.823 -7.097 -3.817 1.00 0.38 H new ATOM 0 HA GLU B 9 1.439 -5.824 -6.029 1.00 0.34 H new ATOM 0 HB2 GLU B 9 2.047 -8.751 -5.390 1.00 0.40 H new ATOM 0 HB3 GLU B 9 1.710 -8.091 -6.978 1.00 0.40 H new ATOM 0 HG2 GLU B 9 3.863 -6.595 -5.622 1.00 0.59 H new ATOM 0 HG3 GLU B 9 4.254 -8.298 -5.761 1.00 0.59 H new ATOM 143 N ARG B 10 -0.271 -7.700 -3.985 1.00 0.31 N ATOM 144 CA ARG B 10 -1.654 -8.027 -3.583 1.00 0.38 C ATOM 145 C ARG B 10 -2.300 -6.765 -3.021 1.00 0.35 C ATOM 146 O ARG B 10 -3.506 -6.678 -2.898 1.00 0.40 O ATOM 147 CB ARG B 10 -1.523 -9.101 -2.501 1.00 0.46 C ATOM 148 CG ARG B 10 -2.132 -10.413 -3.003 1.00 0.73 C ATOM 149 CD ARG B 10 -1.310 -11.593 -2.477 1.00 0.67 C ATOM 150 NE ARG B 10 -1.385 -12.623 -3.552 1.00 1.55 N ATOM 151 CZ ARG B 10 -2.487 -13.308 -3.748 1.00 2.12 C ATOM 152 NH1 ARG B 10 -3.545 -13.103 -3.004 1.00 2.20 N ATOM 153 NH2 ARG B 10 -2.528 -14.204 -4.696 1.00 3.14 N ATOM 0 H ARG B 10 0.454 -8.034 -3.350 1.00 0.31 H new ATOM 0 HA ARG B 10 -2.269 -8.384 -4.409 1.00 0.38 H new ATOM 0 HB2 ARG B 10 -0.473 -9.249 -2.247 1.00 0.46 H new ATOM 0 HB3 ARG B 10 -2.029 -8.778 -1.591 1.00 0.46 H new ATOM 0 HG2 ARG B 10 -3.166 -10.498 -2.668 1.00 0.73 H new ATOM 0 HG3 ARG B 10 -2.149 -10.425 -4.093 1.00 0.73 H new ATOM 0 HD2 ARG B 10 -0.278 -11.300 -2.282 1.00 0.67 H new ATOM 0 HD3 ARG B 10 -1.717 -11.971 -1.539 1.00 0.67 H new ATOM 0 HE ARG B 10 -0.571 -12.797 -4.142 1.00 1.55 H new ATOM 0 HH11 ARG B 10 -3.519 -12.404 -2.262 1.00 2.20 H new ATOM 0 HH12 ARG B 10 -4.395 -13.642 -3.167 1.00 2.20 H new ATOM 0 HH21 ARG B 10 -1.707 -14.368 -5.279 1.00 3.14 H new ATOM 0 HH22 ARG B 10 -3.381 -14.740 -4.854 1.00 3.14 H new ATOM 167 N ARG B 11 -1.506 -5.768 -2.701 1.00 0.29 N ATOM 168 CA ARG B 11 -2.096 -4.513 -2.178 1.00 0.29 C ATOM 169 C ARG B 11 -2.418 -3.579 -3.337 1.00 0.24 C ATOM 170 O ARG B 11 -2.951 -2.512 -3.136 1.00 0.25 O ATOM 171 CB ARG B 11 -1.046 -3.868 -1.279 1.00 0.32 C ATOM 172 CG ARG B 11 -0.782 -4.717 -0.025 1.00 0.41 C ATOM 173 CD ARG B 11 -2.094 -5.039 0.702 1.00 0.55 C ATOM 174 NE ARG B 11 -2.051 -6.515 0.925 1.00 1.59 N ATOM 175 CZ ARG B 11 -2.873 -7.090 1.768 1.00 2.18 C ATOM 176 NH1 ARG B 11 -3.751 -6.385 2.434 1.00 3.24 N ATOM 177 NH2 ARG B 11 -2.815 -8.382 1.945 1.00 1.76 N ATOM 0 H ARG B 11 -0.489 -5.777 -2.781 1.00 0.29 H new ATOM 0 HA ARG B 11 -3.015 -4.712 -1.627 1.00 0.29 H new ATOM 0 HB2 ARG B 11 -0.118 -3.740 -1.836 1.00 0.32 H new ATOM 0 HB3 ARG B 11 -1.380 -2.873 -0.983 1.00 0.32 H new ATOM 0 HG2 ARG B 11 -0.280 -5.643 -0.306 1.00 0.41 H new ATOM 0 HG3 ARG B 11 -0.111 -4.182 0.647 1.00 0.41 H new ATOM 0 HD2 ARG B 11 -2.167 -4.498 1.645 1.00 0.55 H new ATOM 0 HD3 ARG B 11 -2.959 -4.754 0.103 1.00 0.55 H new ATOM 0 HE ARG B 11 -1.374 -7.082 0.415 1.00 1.59 H new ATOM 0 HH11 ARG B 11 -3.802 -5.375 2.300 1.00 3.24 H new ATOM 0 HH12 ARG B 11 -4.385 -6.845 3.087 1.00 3.24 H new ATOM 0 HH21 ARG B 11 -2.133 -8.937 1.429 1.00 1.76 H new ATOM 0 HH22 ARG B 11 -3.452 -8.836 2.600 1.00 1.76 H new ATOM 191 N ALA B 12 -2.118 -3.966 -4.557 1.00 0.24 N ATOM 192 CA ALA B 12 -2.451 -3.070 -5.706 1.00 0.28 C ATOM 193 C ALA B 12 -3.929 -2.696 -5.607 1.00 0.31 C ATOM 194 O ALA B 12 -4.349 -1.641 -6.040 1.00 0.33 O ATOM 195 CB ALA B 12 -2.177 -3.896 -6.963 1.00 0.34 C ATOM 0 H ALA B 12 -1.666 -4.847 -4.801 1.00 0.24 H new ATOM 0 HA ALA B 12 -1.869 -2.149 -5.718 1.00 0.28 H new ATOM 0 HB1 ALA B 12 -2.401 -3.299 -7.847 1.00 0.34 H new ATOM 0 HB2 ALA B 12 -1.128 -4.193 -6.982 1.00 0.34 H new ATOM 0 HB3 ALA B 12 -2.806 -4.786 -6.958 1.00 0.34 H new ATOM 201 N GLU B 13 -4.711 -3.549 -4.995 1.00 0.34 N ATOM 202 CA GLU B 13 -6.149 -3.240 -4.813 1.00 0.41 C ATOM 203 C GLU B 13 -6.277 -2.217 -3.688 1.00 0.38 C ATOM 204 O GLU B 13 -7.122 -1.347 -3.721 1.00 0.42 O ATOM 205 CB GLU B 13 -6.808 -4.568 -4.431 1.00 0.48 C ATOM 206 CG GLU B 13 -6.713 -5.540 -5.608 1.00 0.52 C ATOM 207 CD GLU B 13 -7.632 -6.738 -5.358 1.00 0.77 C ATOM 208 OE1 GLU B 13 -7.714 -7.168 -4.219 1.00 1.18 O ATOM 209 OE2 GLU B 13 -8.236 -7.206 -6.309 1.00 1.15 O ATOM 0 H GLU B 13 -4.409 -4.446 -4.615 1.00 0.34 H new ATOM 0 HA GLU B 13 -6.619 -2.822 -5.703 1.00 0.41 H new ATOM 0 HB2 GLU B 13 -6.317 -4.992 -3.555 1.00 0.48 H new ATOM 0 HB3 GLU B 13 -7.852 -4.405 -4.163 1.00 0.48 H new ATOM 0 HG2 GLU B 13 -6.997 -5.037 -6.532 1.00 0.52 H new ATOM 0 HG3 GLU B 13 -5.684 -5.877 -5.732 1.00 0.52 H new ATOM 216 N LYS B 14 -5.407 -2.291 -2.709 1.00 0.33 N ATOM 217 CA LYS B 14 -5.443 -1.296 -1.606 1.00 0.33 C ATOM 218 C LYS B 14 -4.779 -0.019 -2.117 1.00 0.28 C ATOM 219 O LYS B 14 -5.181 1.087 -1.813 1.00 0.30 O ATOM 220 CB LYS B 14 -4.622 -1.925 -0.477 1.00 0.31 C ATOM 221 CG LYS B 14 -5.264 -3.244 -0.042 1.00 0.38 C ATOM 222 CD LYS B 14 -6.546 -2.955 0.740 1.00 1.23 C ATOM 223 CE LYS B 14 -6.954 -4.200 1.529 1.00 1.37 C ATOM 224 NZ LYS B 14 -8.039 -3.737 2.438 1.00 1.83 N ATOM 0 H LYS B 14 -4.677 -2.999 -2.632 1.00 0.33 H new ATOM 0 HA LYS B 14 -6.448 -1.049 -1.263 1.00 0.33 H new ATOM 0 HB2 LYS B 14 -3.600 -2.101 -0.813 1.00 0.31 H new ATOM 0 HB3 LYS B 14 -4.566 -1.240 0.369 1.00 0.31 H new ATOM 0 HG2 LYS B 14 -5.489 -3.857 -0.915 1.00 0.38 H new ATOM 0 HG3 LYS B 14 -4.569 -3.812 0.576 1.00 0.38 H new ATOM 0 HD2 LYS B 14 -6.389 -2.117 1.419 1.00 1.23 H new ATOM 0 HD3 LYS B 14 -7.345 -2.667 0.056 1.00 1.23 H new ATOM 0 HE2 LYS B 14 -7.304 -4.991 0.866 1.00 1.37 H new ATOM 0 HE3 LYS B 14 -6.113 -4.605 2.092 1.00 1.37 H new ATOM 0 HZ1 LYS B 14 -8.373 -4.535 3.015 1.00 1.83 H new ATOM 0 HZ2 LYS B 14 -7.674 -2.989 3.061 1.00 1.83 H new ATOM 0 HZ3 LYS B 14 -8.829 -3.363 1.874 1.00 1.83 H new ATOM 238 N GLN B 15 -3.771 -0.195 -2.922 1.00 0.25 N ATOM 239 CA GLN B 15 -3.041 0.948 -3.523 1.00 0.24 C ATOM 240 C GLN B 15 -3.929 1.624 -4.560 1.00 0.28 C ATOM 241 O GLN B 15 -4.101 2.821 -4.556 1.00 0.28 O ATOM 242 CB GLN B 15 -1.826 0.298 -4.196 1.00 0.24 C ATOM 243 CG GLN B 15 -0.561 0.633 -3.411 1.00 0.25 C ATOM 244 CD GLN B 15 0.476 -0.469 -3.629 1.00 0.30 C ATOM 245 OE1 GLN B 15 1.491 -0.250 -4.259 1.00 0.35 O ATOM 246 NE2 GLN B 15 0.258 -1.653 -3.129 1.00 0.33 N ATOM 0 H GLN B 15 -3.415 -1.111 -3.194 1.00 0.25 H new ATOM 0 HA GLN B 15 -2.754 1.710 -2.798 1.00 0.24 H new ATOM 0 HB2 GLN B 15 -1.960 -0.783 -4.244 1.00 0.24 H new ATOM 0 HB3 GLN B 15 -1.733 0.654 -5.222 1.00 0.24 H new ATOM 0 HG2 GLN B 15 -0.161 1.594 -3.736 1.00 0.25 H new ATOM 0 HG3 GLN B 15 -0.792 0.726 -2.350 1.00 0.25 H new ATOM 0 HE21 GLN B 15 -0.595 -1.834 -2.600 1.00 0.33 H new ATOM 0 HE22 GLN B 15 0.941 -2.398 -3.266 1.00 0.33 H new ATOM 255 N ALA B 16 -4.499 0.859 -5.443 1.00 0.35 N ATOM 256 CA ALA B 16 -5.387 1.460 -6.479 1.00 0.41 C ATOM 257 C ALA B 16 -6.631 2.044 -5.813 1.00 0.40 C ATOM 258 O ALA B 16 -7.194 3.015 -6.280 1.00 0.43 O ATOM 259 CB ALA B 16 -5.760 0.307 -7.413 1.00 0.48 C ATOM 0 H ALA B 16 -4.391 -0.154 -5.495 1.00 0.35 H new ATOM 0 HA ALA B 16 -4.903 2.270 -7.024 1.00 0.41 H new ATOM 0 HB1 ALA B 16 -6.414 0.676 -8.203 1.00 0.48 H new ATOM 0 HB2 ALA B 16 -4.855 -0.109 -7.856 1.00 0.48 H new ATOM 0 HB3 ALA B 16 -6.276 -0.468 -6.846 1.00 0.48 H new ATOM 265 N GLN B 17 -7.051 1.483 -4.708 1.00 0.40 N ATOM 266 CA GLN B 17 -8.240 2.046 -4.009 1.00 0.42 C ATOM 267 C GLN B 17 -7.800 3.307 -3.285 1.00 0.37 C ATOM 268 O GLN B 17 -8.505 4.296 -3.233 1.00 0.40 O ATOM 269 CB GLN B 17 -8.682 0.973 -3.012 1.00 0.45 C ATOM 270 CG GLN B 17 -9.690 0.032 -3.679 1.00 0.53 C ATOM 271 CD GLN B 17 -11.021 0.089 -2.926 1.00 0.66 C ATOM 272 OE1 GLN B 17 -11.582 -0.932 -2.581 1.00 1.06 O ATOM 273 NE2 GLN B 17 -11.553 1.250 -2.653 1.00 1.33 N ATOM 0 H GLN B 17 -6.626 0.668 -4.265 1.00 0.40 H new ATOM 0 HA GLN B 17 -9.057 2.301 -4.683 1.00 0.42 H new ATOM 0 HB2 GLN B 17 -7.817 0.408 -2.664 1.00 0.45 H new ATOM 0 HB3 GLN B 17 -9.131 1.440 -2.135 1.00 0.45 H new ATOM 0 HG2 GLN B 17 -9.837 0.319 -4.720 1.00 0.53 H new ATOM 0 HG3 GLN B 17 -9.305 -0.988 -3.681 1.00 0.53 H new ATOM 0 HE21 GLN B 17 -11.082 2.107 -2.942 1.00 1.33 H new ATOM 0 HE22 GLN B 17 -12.439 1.299 -2.150 1.00 1.33 H new ATOM 282 N TRP B 18 -6.613 3.277 -2.757 1.00 0.32 N ATOM 283 CA TRP B 18 -6.070 4.468 -2.061 1.00 0.30 C ATOM 284 C TRP B 18 -5.664 5.499 -3.108 1.00 0.31 C ATOM 285 O TRP B 18 -5.995 6.665 -3.024 1.00 0.35 O ATOM 286 CB TRP B 18 -4.825 3.964 -1.334 1.00 0.25 C ATOM 287 CG TRP B 18 -4.100 5.134 -0.761 1.00 0.24 C ATOM 288 CD1 TRP B 18 -4.206 5.607 0.499 1.00 0.30 C ATOM 289 CD2 TRP B 18 -3.161 5.992 -1.437 1.00 0.24 C ATOM 290 NE1 TRP B 18 -3.384 6.720 0.622 1.00 0.31 N ATOM 291 CE2 TRP B 18 -2.714 6.985 -0.547 1.00 0.29 C ATOM 292 CE3 TRP B 18 -2.661 5.991 -2.731 1.00 0.28 C ATOM 293 CZ2 TRP B 18 -1.794 7.950 -0.942 1.00 0.34 C ATOM 294 CZ3 TRP B 18 -1.741 6.944 -3.135 1.00 0.36 C ATOM 295 CH2 TRP B 18 -1.306 7.923 -2.250 1.00 0.38 C ATOM 0 H TRP B 18 -5.990 2.469 -2.779 1.00 0.32 H new ATOM 0 HA TRP B 18 -6.787 4.926 -1.379 1.00 0.30 H new ATOM 0 HB2 TRP B 18 -5.105 3.268 -0.543 1.00 0.25 H new ATOM 0 HB3 TRP B 18 -4.179 3.420 -2.023 1.00 0.25 H new ATOM 0 HD1 TRP B 18 -4.825 5.190 1.280 1.00 0.30 H new ATOM 0 HE1 TRP B 18 -3.290 7.272 1.475 1.00 0.31 H new ATOM 0 HE3 TRP B 18 -2.993 5.239 -3.431 1.00 0.28 H new ATOM 0 HZ2 TRP B 18 -1.462 8.708 -0.248 1.00 0.34 H new ATOM 0 HZ3 TRP B 18 -1.359 6.926 -4.145 1.00 0.36 H new ATOM 0 HH2 TRP B 18 -0.590 8.664 -2.574 1.00 0.38 H new ATOM 306 N LYS B 19 -4.945 5.054 -4.093 1.00 0.30 N ATOM 307 CA LYS B 19 -4.486 5.965 -5.173 1.00 0.37 C ATOM 308 C LYS B 19 -5.707 6.578 -5.829 1.00 0.46 C ATOM 309 O LYS B 19 -5.707 7.724 -6.234 1.00 0.70 O ATOM 310 CB LYS B 19 -3.738 5.080 -6.173 1.00 0.40 C ATOM 311 CG LYS B 19 -2.355 4.702 -5.634 1.00 0.49 C ATOM 312 CD LYS B 19 -1.653 3.791 -6.643 1.00 0.96 C ATOM 313 CE LYS B 19 -0.147 4.066 -6.623 1.00 1.30 C ATOM 314 NZ LYS B 19 0.434 2.987 -5.773 1.00 1.92 N ATOM 0 H LYS B 19 -4.651 4.083 -4.198 1.00 0.30 H new ATOM 0 HA LYS B 19 -3.847 6.768 -4.806 1.00 0.37 H new ATOM 0 HB2 LYS B 19 -4.316 4.177 -6.370 1.00 0.40 H new ATOM 0 HB3 LYS B 19 -3.633 5.605 -7.123 1.00 0.40 H new ATOM 0 HG2 LYS B 19 -1.761 5.600 -5.462 1.00 0.49 H new ATOM 0 HG3 LYS B 19 -2.452 4.195 -4.674 1.00 0.49 H new ATOM 0 HD2 LYS B 19 -1.845 2.746 -6.400 1.00 0.96 H new ATOM 0 HD3 LYS B 19 -2.051 3.964 -7.643 1.00 0.96 H new ATOM 0 HE2 LYS B 19 0.271 4.043 -7.629 1.00 1.30 H new ATOM 0 HE3 LYS B 19 0.068 5.052 -6.211 1.00 1.30 H new ATOM 0 HZ1 LYS B 19 1.375 2.730 -6.133 1.00 1.92 H new ATOM 0 HZ2 LYS B 19 0.518 3.325 -4.793 1.00 1.92 H new ATOM 0 HZ3 LYS B 19 -0.186 2.152 -5.799 1.00 1.92 H new ATOM 328 N ALA B 20 -6.758 5.813 -5.923 1.00 0.44 N ATOM 329 CA ALA B 20 -7.992 6.343 -6.541 1.00 0.52 C ATOM 330 C ALA B 20 -8.479 7.557 -5.753 1.00 0.56 C ATOM 331 O ALA B 20 -9.085 8.462 -6.294 1.00 0.74 O ATOM 332 CB ALA B 20 -9.008 5.212 -6.455 1.00 0.55 C ATOM 0 H ALA B 20 -6.811 4.848 -5.598 1.00 0.44 H new ATOM 0 HA ALA B 20 -7.834 6.662 -7.571 1.00 0.52 H new ATOM 0 HB1 ALA B 20 -9.951 5.535 -6.896 1.00 0.55 H new ATOM 0 HB2 ALA B 20 -8.633 4.344 -6.997 1.00 0.55 H new ATOM 0 HB3 ALA B 20 -9.169 4.946 -5.410 1.00 0.55 H new ATOM 338 N ALA B 21 -8.211 7.581 -4.474 1.00 0.54 N ATOM 339 CA ALA B 21 -8.649 8.736 -3.644 1.00 0.66 C ATOM 340 C ALA B 21 -7.443 9.410 -3.001 1.00 0.73 C ATOM 341 O ALA B 21 -7.542 10.047 -1.971 1.00 0.99 O ATOM 342 CB ALA B 21 -9.578 8.147 -2.585 1.00 0.71 C ATOM 0 H ALA B 21 -7.708 6.850 -3.971 1.00 0.54 H new ATOM 0 HA ALA B 21 -9.155 9.499 -4.235 1.00 0.66 H new ATOM 0 HB1 ALA B 21 -9.940 8.944 -1.935 1.00 0.71 H new ATOM 0 HB2 ALA B 21 -10.424 7.663 -3.072 1.00 0.71 H new ATOM 0 HB3 ALA B 21 -9.033 7.413 -1.991 1.00 0.71 H new ATOM 348 N ASN B 22 -6.315 9.290 -3.630 1.00 0.73 N ATOM 349 CA ASN B 22 -5.079 9.936 -3.101 1.00 0.88 C ATOM 350 C ASN B 22 -4.085 10.207 -4.238 1.00 1.08 C ATOM 351 O ASN B 22 -2.921 9.872 -4.135 1.00 0.00 O ATOM 352 CB ASN B 22 -4.477 8.954 -2.103 1.00 0.93 C ATOM 353 CG ASN B 22 -5.419 8.784 -0.915 1.00 0.94 C ATOM 354 OD1 ASN B 22 -5.759 9.740 -0.246 1.00 1.13 O ATOM 355 ND2 ASN B 22 -5.856 7.597 -0.628 1.00 0.94 N ATOM 0 H ASN B 22 -6.190 8.768 -4.497 1.00 0.73 H new ATOM 0 HA ASN B 22 -5.307 10.893 -2.632 1.00 0.88 H new ATOM 0 HB2 ASN B 22 -4.306 7.991 -2.584 1.00 0.93 H new ATOM 0 HB3 ASN B 22 -3.507 9.317 -1.761 1.00 0.93 H new ATOM 0 HD21 ASN B 22 -6.488 7.463 0.162 1.00 0.94 H new ATOM 0 HD22 ASN B 22 -5.568 6.797 -1.192 1.00 0.94 H new ATOM 362 N PRO B 23 -4.572 10.835 -5.274 1.00 0.00 N ATOM 363 CA PRO B 23 -3.710 11.188 -6.415 1.00 0.00 C ATOM 364 C PRO B 23 -2.795 12.318 -5.958 1.00 0.00 C ATOM 365 O PRO B 23 -1.701 12.499 -6.452 1.00 0.00 O ATOM 366 CB PRO B 23 -4.691 11.647 -7.490 1.00 0.00 C ATOM 367 CG PRO B 23 -5.902 12.088 -6.738 1.00 0.00 C ATOM 368 CD PRO B 23 -5.945 11.282 -5.466 1.00 0.00 C ATOM 0 HA PRO B 23 -3.079 10.381 -6.787 1.00 0.00 H new ATOM 0 HB2 PRO B 23 -4.275 12.462 -8.083 1.00 0.00 H new ATOM 0 HB3 PRO B 23 -4.927 10.838 -8.181 1.00 0.00 H new ATOM 0 HG2 PRO B 23 -5.853 13.154 -6.518 1.00 0.00 H new ATOM 0 HG3 PRO B 23 -6.804 11.926 -7.329 1.00 0.00 H new ATOM 0 HD2 PRO B 23 -6.288 11.885 -4.625 1.00 0.00 H new ATOM 0 HD3 PRO B 23 -6.629 10.438 -5.553 1.00 0.00 H new ATOM 376 N LEU B 24 -3.245 13.063 -4.980 1.00 0.00 N ATOM 377 CA LEU B 24 -2.418 14.175 -4.432 1.00 0.00 C ATOM 378 C LEU B 24 -1.105 13.595 -3.904 1.00 0.00 C ATOM 379 O LEU B 24 -0.048 14.185 -4.026 1.00 0.00 O ATOM 380 CB LEU B 24 -3.272 14.782 -3.299 1.00 0.00 C ATOM 381 CG LEU B 24 -2.984 14.101 -1.942 1.00 0.00 C ATOM 382 CD1 LEU B 24 -3.551 14.969 -0.817 1.00 0.00 C ATOM 383 CD2 LEU B 24 -3.641 12.709 -1.880 1.00 0.00 C ATOM 0 H LEU B 24 -4.156 12.946 -4.536 1.00 0.00 H new ATOM 0 HA LEU B 24 -2.159 14.934 -5.170 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -3.068 15.850 -3.221 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -4.329 14.676 -3.543 1.00 0.00 H new ATOM 0 HG LEU B 24 -1.906 13.987 -1.830 1.00 0.00 H new ATOM 0 HD11 LEU B 24 -3.352 14.495 0.144 1.00 0.00 H new ATOM 0 HD12 LEU B 24 -3.079 15.951 -0.842 1.00 0.00 H new ATOM 0 HD13 LEU B 24 -4.627 15.080 -0.950 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -3.426 12.248 -0.916 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -4.720 12.810 -2.001 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -3.243 12.083 -2.679 1.00 0.00 H new ATOM 395 N LEU B 25 -1.177 12.415 -3.358 1.00 0.00 N ATOM 396 CA LEU B 25 0.038 11.727 -2.854 1.00 0.00 C ATOM 397 C LEU B 25 0.467 10.752 -3.936 1.00 0.00 C ATOM 398 O LEU B 25 0.934 9.659 -3.687 1.00 0.00 O ATOM 399 CB LEU B 25 -0.427 10.987 -1.602 1.00 0.00 C ATOM 400 CG LEU B 25 -0.263 11.893 -0.381 1.00 0.00 C ATOM 401 CD1 LEU B 25 -1.214 11.435 0.727 1.00 0.00 C ATOM 402 CD2 LEU B 25 1.180 11.813 0.121 1.00 0.00 C ATOM 0 H LEU B 25 -2.043 11.890 -3.238 1.00 0.00 H new ATOM 0 HA LEU B 25 0.874 12.387 -2.623 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -1.470 10.689 -1.709 1.00 0.00 H new ATOM 0 HB3 LEU B 25 0.153 10.074 -1.470 1.00 0.00 H new ATOM 0 HG LEU B 25 -0.497 12.921 -0.657 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -1.097 12.081 1.597 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -2.242 11.490 0.370 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -0.981 10.407 1.004 1.00 0.00 H new ATOM 0 HD21 LEU B 25 1.299 12.458 0.991 1.00 0.00 H new ATOM 0 HD22 LEU B 25 1.413 10.785 0.397 1.00 0.00 H new ATOM 0 HD23 LEU B 25 1.858 12.139 -0.668 1.00 0.00 H new ATOM 414 N VAL B 26 0.251 11.160 -5.144 1.00 0.00 N ATOM 415 CA VAL B 26 0.555 10.317 -6.317 1.00 0.00 C ATOM 416 C VAL B 26 0.908 11.233 -7.492 1.00 0.00 C ATOM 417 O VAL B 26 0.442 12.354 -7.562 1.00 0.00 O ATOM 418 CB VAL B 26 -0.773 9.575 -6.536 1.00 0.00 C ATOM 419 CG1 VAL B 26 -1.124 9.523 -8.023 1.00 0.00 C ATOM 420 CG2 VAL B 26 -0.653 8.155 -5.986 1.00 0.00 C ATOM 0 H VAL B 26 -0.137 12.075 -5.374 1.00 0.00 H new ATOM 0 HA VAL B 26 1.394 9.631 -6.202 1.00 0.00 H new ATOM 0 HB VAL B 26 -1.566 10.110 -6.013 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -2.067 8.994 -8.156 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -1.220 10.538 -8.410 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -0.335 9.001 -8.565 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -1.593 7.625 -6.139 1.00 0.00 H new ATOM 0 HG22 VAL B 26 0.149 7.630 -6.506 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -0.429 8.195 -4.920 1.00 0.00 H new ATOM 430 N GLY B 27 1.714 10.781 -8.419 1.00 0.00 N ATOM 431 CA GLY B 27 2.061 11.656 -9.581 1.00 0.00 C ATOM 432 C GLY B 27 0.761 12.218 -10.156 1.00 0.00 C ATOM 433 O GLY B 27 -0.203 11.497 -10.308 1.00 0.00 O ATOM 0 H GLY B 27 2.143 9.855 -8.423 1.00 0.00 H new ATOM 0 HA2 GLY B 27 2.719 12.466 -9.265 1.00 0.00 H new ATOM 0 HA3 GLY B 27 2.598 11.087 -10.340 1.00 0.00 H new ATOM 437 N VAL B 28 0.708 13.497 -10.449 1.00 0.00 N ATOM 438 CA VAL B 28 -0.562 14.086 -10.989 1.00 0.00 C ATOM 439 C VAL B 28 -1.219 13.112 -11.966 1.00 0.00 C ATOM 440 O VAL B 28 -0.551 12.420 -12.709 1.00 0.00 O ATOM 441 CB VAL B 28 -0.158 15.367 -11.712 1.00 0.00 C ATOM 442 CG1 VAL B 28 -1.408 16.022 -12.313 1.00 0.00 C ATOM 443 CG2 VAL B 28 0.493 16.332 -10.718 1.00 0.00 C ATOM 0 H VAL B 28 1.481 14.154 -10.339 1.00 0.00 H new ATOM 0 HA VAL B 28 -1.281 14.287 -10.194 1.00 0.00 H new ATOM 0 HB VAL B 28 0.552 15.131 -12.505 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -1.125 16.938 -12.831 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -1.875 15.335 -13.019 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -2.113 16.259 -11.516 1.00 0.00 H new ATOM 0 HG21 VAL B 28 0.782 17.247 -11.235 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -0.216 16.571 -9.925 1.00 0.00 H new ATOM 0 HG23 VAL B 28 1.378 15.866 -10.285 1.00 0.00 H new ATOM 453 N SER B 29 -2.521 13.040 -11.954 1.00 0.00 N ATOM 454 CA SER B 29 -3.228 12.095 -12.862 1.00 0.00 C ATOM 455 C SER B 29 -2.617 10.701 -12.719 1.00 0.00 C ATOM 456 O SER B 29 -2.572 9.923 -13.652 1.00 0.00 O ATOM 457 CB SER B 29 -3.019 12.644 -14.273 1.00 0.00 C ATOM 458 OG SER B 29 -3.403 11.658 -15.223 1.00 0.00 O ATOM 0 H SER B 29 -3.128 13.597 -11.352 1.00 0.00 H new ATOM 0 HA SER B 29 -4.290 12.009 -12.631 1.00 0.00 H new ATOM 0 HB2 SER B 29 -3.608 13.550 -14.414 1.00 0.00 H new ATOM 0 HB3 SER B 29 -1.974 12.918 -14.418 1.00 0.00 H new ATOM 0 HG SER B 29 -2.863 10.850 -15.093 1.00 0.00 H new ATOM 464 N ALA B 30 -2.143 10.408 -11.537 1.00 0.00 N ATOM 465 CA ALA B 30 -1.498 9.086 -11.238 1.00 0.00 C ATOM 466 C ALA B 30 -0.838 8.481 -12.483 1.00 0.00 C ATOM 467 O ALA B 30 -1.445 7.730 -13.221 1.00 0.00 O ATOM 468 CB ALA B 30 -2.625 8.190 -10.727 1.00 0.00 C ATOM 0 H ALA B 30 -2.175 11.046 -10.741 1.00 0.00 H new ATOM 0 HA ALA B 30 -0.699 9.195 -10.505 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -2.226 7.204 -10.488 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -3.063 8.631 -9.832 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -3.391 8.094 -11.496 1.00 0.00 H new ATOM 474 N LYS B 31 0.406 8.805 -12.712 1.00 0.00 N ATOM 475 CA LYS B 31 1.124 8.256 -13.900 1.00 0.00 C ATOM 476 C LYS B 31 2.548 7.837 -13.506 1.00 0.00 C ATOM 477 O LYS B 31 3.435 8.663 -13.429 1.00 0.00 O ATOM 478 CB LYS B 31 1.156 9.399 -14.926 1.00 0.00 C ATOM 479 CG LYS B 31 1.627 10.700 -14.261 1.00 0.00 C ATOM 480 CD LYS B 31 1.527 11.853 -15.266 1.00 0.00 C ATOM 481 CE LYS B 31 2.931 12.358 -15.612 1.00 0.00 C ATOM 482 NZ LYS B 31 3.531 11.283 -16.449 1.00 0.00 N ATOM 0 H LYS B 31 0.959 9.429 -12.125 1.00 0.00 H new ATOM 0 HA LYS B 31 0.632 7.372 -14.305 1.00 0.00 H new ATOM 0 HB2 LYS B 31 1.824 9.140 -15.748 1.00 0.00 H new ATOM 0 HB3 LYS B 31 0.164 9.540 -15.354 1.00 0.00 H new ATOM 0 HG2 LYS B 31 1.017 10.914 -13.384 1.00 0.00 H new ATOM 0 HG3 LYS B 31 2.655 10.593 -13.915 1.00 0.00 H new ATOM 0 HD2 LYS B 31 1.018 11.518 -16.169 1.00 0.00 H new ATOM 0 HD3 LYS B 31 0.931 12.664 -14.846 1.00 0.00 H new ATOM 0 HE2 LYS B 31 2.888 13.303 -16.154 1.00 0.00 H new ATOM 0 HE3 LYS B 31 3.521 12.533 -14.712 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 4.495 11.556 -16.726 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 3.565 10.397 -15.905 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 2.952 11.143 -17.302 1.00 0.00 H new ATOM 496 N PRO B 32 2.721 6.561 -13.262 1.00 0.00 N ATOM 497 CA PRO B 32 4.053 6.041 -12.866 1.00 0.00 C ATOM 498 C PRO B 32 5.012 6.050 -14.059 1.00 0.00 C ATOM 499 O PRO B 32 4.855 5.296 -15.000 1.00 0.00 O ATOM 500 CB PRO B 32 3.761 4.613 -12.412 1.00 0.00 C ATOM 501 CG PRO B 32 2.503 4.230 -13.123 1.00 0.00 C ATOM 502 CD PRO B 32 1.711 5.495 -13.331 1.00 0.00 C ATOM 0 HA PRO B 32 4.531 6.640 -12.091 1.00 0.00 H new ATOM 0 HB2 PRO B 32 4.580 3.942 -12.670 1.00 0.00 H new ATOM 0 HB3 PRO B 32 3.635 4.561 -11.331 1.00 0.00 H new ATOM 0 HG2 PRO B 32 2.729 3.755 -14.078 1.00 0.00 H new ATOM 0 HG3 PRO B 32 1.932 3.510 -12.536 1.00 0.00 H new ATOM 0 HD2 PRO B 32 1.199 5.492 -14.293 1.00 0.00 H new ATOM 0 HD3 PRO B 32 0.947 5.619 -12.564 1.00 0.00 H new ATOM 510 N VAL B 33 6.009 6.896 -14.023 1.00 0.00 N ATOM 511 CA VAL B 33 6.988 6.956 -15.152 1.00 0.00 C ATOM 512 C VAL B 33 8.146 7.900 -14.808 1.00 0.00 C ATOM 513 O VAL B 33 9.264 7.703 -15.241 1.00 0.00 O ATOM 514 CB VAL B 33 6.192 7.488 -16.347 1.00 0.00 C ATOM 515 CG1 VAL B 33 5.676 8.897 -16.041 1.00 0.00 C ATOM 516 CG2 VAL B 33 7.097 7.533 -17.580 1.00 0.00 C ATOM 0 H VAL B 33 6.188 7.549 -13.260 1.00 0.00 H new ATOM 0 HA VAL B 33 7.430 5.982 -15.362 1.00 0.00 H new ATOM 0 HB VAL B 33 5.345 6.829 -16.538 1.00 0.00 H new ATOM 0 HG11 VAL B 33 5.110 9.271 -16.895 1.00 0.00 H new ATOM 0 HG12 VAL B 33 5.030 8.865 -15.164 1.00 0.00 H new ATOM 0 HG13 VAL B 33 6.520 9.559 -15.847 1.00 0.00 H new ATOM 0 HG21 VAL B 33 6.532 7.911 -18.432 1.00 0.00 H new ATOM 0 HG22 VAL B 33 7.945 8.190 -17.385 1.00 0.00 H new ATOM 0 HG23 VAL B 33 7.460 6.529 -17.802 1.00 0.00 H new ATOM 526 N ASN B 34 7.884 8.921 -14.037 1.00 0.00 N ATOM 527 CA ASN B 34 8.968 9.879 -13.664 1.00 0.00 C ATOM 528 C ASN B 34 9.964 9.205 -12.713 1.00 0.00 C ATOM 529 O ASN B 34 10.083 9.570 -11.560 1.00 0.00 O ATOM 530 CB ASN B 34 8.256 11.044 -12.968 1.00 0.00 C ATOM 531 CG ASN B 34 8.528 12.341 -13.731 1.00 0.00 C ATOM 532 OD1 ASN B 34 9.565 12.952 -13.564 1.00 0.00 O ATOM 533 ND2 ASN B 34 7.633 12.791 -14.568 1.00 0.00 N ATOM 0 H ASN B 34 6.965 9.134 -13.648 1.00 0.00 H new ATOM 0 HA ASN B 34 9.536 10.216 -14.531 1.00 0.00 H new ATOM 0 HB2 ASN B 34 7.184 10.854 -12.924 1.00 0.00 H new ATOM 0 HB3 ASN B 34 8.606 11.135 -11.940 1.00 0.00 H new ATOM 0 HD21 ASN B 34 7.804 13.655 -15.082 1.00 0.00 H new ATOM 0 HD22 ASN B 34 6.763 12.278 -14.708 1.00 0.00 H new ATOM 540 N ARG B 35 10.678 8.223 -13.192 1.00 0.00 N ATOM 541 CA ARG B 35 11.666 7.522 -12.323 1.00 0.00 C ATOM 542 C ARG B 35 12.907 8.400 -12.108 1.00 0.00 C ATOM 543 O ARG B 35 13.285 8.661 -10.983 1.00 0.00 O ATOM 544 CB ARG B 35 12.031 6.244 -13.085 1.00 0.00 C ATOM 545 CG ARG B 35 11.324 5.044 -12.447 1.00 0.00 C ATOM 546 CD ARG B 35 9.806 5.205 -12.585 1.00 0.00 C ATOM 547 NE ARG B 35 9.239 4.535 -11.377 1.00 0.00 N ATOM 548 CZ ARG B 35 7.949 4.548 -11.148 1.00 0.00 C ATOM 549 NH1 ARG B 35 7.130 5.147 -11.972 1.00 0.00 N ATOM 550 NH2 ARG B 35 7.478 3.955 -10.085 1.00 0.00 N ATOM 0 H ARG B 35 10.620 7.875 -14.149 1.00 0.00 H new ATOM 0 HA ARG B 35 11.262 7.303 -11.334 1.00 0.00 H new ATOM 0 HB2 ARG B 35 11.739 6.337 -14.131 1.00 0.00 H new ATOM 0 HB3 ARG B 35 13.111 6.094 -13.067 1.00 0.00 H new ATOM 0 HG2 ARG B 35 11.647 4.121 -12.929 1.00 0.00 H new ATOM 0 HG3 ARG B 35 11.597 4.966 -11.395 1.00 0.00 H new ATOM 0 HD2 ARG B 35 9.522 6.257 -12.624 1.00 0.00 H new ATOM 0 HD3 ARG B 35 9.441 4.742 -13.502 1.00 0.00 H new ATOM 0 HE ARG B 35 9.863 4.062 -10.723 1.00 0.00 H new ATOM 0 HH11 ARG B 35 7.493 5.611 -12.804 1.00 0.00 H new ATOM 0 HH12 ARG B 35 6.128 5.150 -11.783 1.00 0.00 H new ATOM 0 HH21 ARG B 35 8.113 3.486 -9.439 1.00 0.00 H new ATOM 0 HH22 ARG B 35 6.475 3.961 -9.900 1.00 0.00 H new ATOM 564 N PRO B 36 13.507 8.831 -13.193 1.00 0.00 N ATOM 565 CA PRO B 36 14.714 9.688 -13.093 1.00 0.00 C ATOM 566 C PRO B 36 14.330 11.110 -12.678 1.00 0.00 C ATOM 567 O PRO B 36 13.166 11.324 -12.380 1.00 0.00 O ATOM 568 CB PRO B 36 15.286 9.672 -14.508 1.00 0.00 C ATOM 569 CG PRO B 36 14.122 9.373 -15.398 1.00 0.00 C ATOM 570 CD PRO B 36 13.131 8.573 -14.591 1.00 0.00 C ATOM 571 OXT PRO B 36 15.205 11.960 -12.665 1.00 0.00 O ATOM 0 HA PRO B 36 15.426 9.336 -12.346 1.00 0.00 H new ATOM 0 HB2 PRO B 36 15.739 10.631 -14.761 1.00 0.00 H new ATOM 0 HB3 PRO B 36 16.064 8.915 -14.610 1.00 0.00 H new ATOM 0 HG2 PRO B 36 13.667 10.296 -15.758 1.00 0.00 H new ATOM 0 HG3 PRO B 36 14.444 8.812 -16.276 1.00 0.00 H new ATOM 0 HD2 PRO B 36 12.107 8.889 -14.792 1.00 0.00 H new ATOM 0 HD3 PRO B 36 13.190 7.511 -14.829 1.00 0.00 H new TER 579 PRO B 36 ATOM 580 P G A 1 11.613 -16.967 -0.827 1.00 1.31 P ATOM 581 OP1 G A 1 10.377 -17.789 -0.873 1.00 1.51 O ATOM 582 OP2 G A 1 11.514 -15.489 -0.927 1.00 1.52 O ATOM 583 O5' G A 1 12.397 -17.327 0.512 1.00 1.09 O ATOM 584 C5' G A 1 12.088 -16.664 1.752 1.00 1.03 C ATOM 585 C4' G A 1 11.026 -17.432 2.502 1.00 0.94 C ATOM 586 O4' G A 1 11.347 -17.405 3.916 1.00 1.02 O ATOM 587 C3' G A 1 9.638 -16.817 2.445 1.00 0.80 C ATOM 588 O3' G A 1 8.971 -17.183 1.231 1.00 0.75 O ATOM 589 C2' G A 1 8.973 -17.384 3.699 1.00 0.78 C ATOM 590 O2' G A 1 8.427 -18.677 3.535 1.00 0.77 O ATOM 591 C1' G A 1 10.150 -17.454 4.672 1.00 0.90 C ATOM 592 N9 G A 1 10.132 -16.325 5.592 1.00 0.90 N ATOM 593 C8 G A 1 10.866 -15.167 5.514 1.00 0.97 C ATOM 594 N7 G A 1 10.595 -14.327 6.475 1.00 0.99 N ATOM 595 C5 G A 1 9.629 -14.975 7.233 1.00 0.90 C ATOM 596 C6 G A 1 8.949 -14.558 8.402 1.00 0.88 C ATOM 597 O6 G A 1 9.069 -13.499 9.020 1.00 0.94 O ATOM 598 N1 G A 1 8.047 -15.523 8.846 1.00 0.82 N ATOM 599 C2 G A 1 7.831 -16.734 8.234 1.00 0.81 C ATOM 600 N2 G A 1 6.923 -17.538 8.806 1.00 0.83 N ATOM 601 N3 G A 1 8.460 -17.132 7.143 1.00 0.83 N ATOM 602 C4 G A 1 9.337 -16.209 6.702 1.00 0.86 C ATOM 0 H5' G A 1 11.742 -15.649 1.554 1.00 1.03 H new ATOM 0 H5'' G A 1 12.987 -16.581 2.363 1.00 1.03 H new ATOM 0 H4' G A 1 11.014 -18.417 2.036 1.00 0.94 H new ATOM 0 H3' G A 1 9.624 -15.727 2.434 1.00 0.80 H new ATOM 0 H2' G A 1 8.125 -16.773 4.010 1.00 0.78 H new ATOM 0 HO2' G A 1 9.074 -19.249 3.072 1.00 0.77 H new ATOM 0 H1' G A 1 10.083 -18.375 5.252 1.00 0.90 H new ATOM 0 H8 G A 1 11.592 -14.972 4.738 1.00 0.97 H new ATOM 0 H1 G A 1 7.508 -15.315 9.687 1.00 0.82 H new ATOM 0 H21 G A 1 6.720 -18.450 8.397 1.00 0.83 H new ATOM 0 H22 G A 1 6.436 -17.238 9.650 1.00 0.83 H new ATOM 614 P C A 2 8.318 -18.644 1.068 1.00 0.69 P ATOM 615 OP1 C A 2 9.184 -19.614 1.785 1.00 0.82 O ATOM 616 OP2 C A 2 8.020 -18.856 -0.372 1.00 0.84 O ATOM 617 O5' C A 2 6.930 -18.517 1.839 1.00 0.58 O ATOM 618 C5' C A 2 6.315 -17.228 2.027 1.00 0.57 C ATOM 619 C4' C A 2 5.157 -17.331 2.991 1.00 0.55 C ATOM 620 O4' C A 2 5.647 -17.085 4.333 1.00 0.54 O ATOM 621 C3' C A 2 4.084 -16.277 2.780 1.00 0.51 C ATOM 622 O3' C A 2 3.127 -16.738 1.830 1.00 0.59 O ATOM 623 C2' C A 2 3.464 -16.137 4.166 1.00 0.53 C ATOM 624 O2' C A 2 2.432 -17.074 4.403 1.00 0.67 O ATOM 625 C1' C A 2 4.651 -16.423 5.091 1.00 0.51 C ATOM 626 N1 C A 2 5.246 -15.209 5.666 1.00 0.45 N ATOM 627 C2 C A 2 4.727 -14.719 6.863 1.00 0.44 C ATOM 628 O2 C A 2 3.781 -15.322 7.393 1.00 0.49 O ATOM 629 N3 C A 2 5.263 -13.607 7.413 1.00 0.43 N ATOM 630 C4 C A 2 6.280 -12.991 6.808 1.00 0.45 C ATOM 631 N4 C A 2 6.779 -11.898 7.388 1.00 0.49 N ATOM 632 C5 C A 2 6.831 -13.469 5.585 1.00 0.47 C ATOM 633 C6 C A 2 6.289 -14.573 5.052 1.00 0.46 C ATOM 0 H5' C A 2 5.966 -16.842 1.069 1.00 0.57 H new ATOM 0 H5'' C A 2 7.051 -16.519 2.407 1.00 0.57 H new ATOM 0 H4' C A 2 4.733 -18.323 2.833 1.00 0.55 H new ATOM 0 H3' C A 2 4.463 -15.332 2.391 1.00 0.51 H new ATOM 0 H2' C A 2 2.996 -15.163 4.308 1.00 0.53 H new ATOM 0 HO2' C A 2 1.568 -16.676 4.168 1.00 0.67 H new ATOM 0 H1' C A 2 4.282 -17.027 5.919 1.00 0.51 H new ATOM 0 H41 C A 2 7.557 -11.401 6.955 1.00 0.49 H new ATOM 0 H42 C A 2 6.383 -11.560 8.265 1.00 0.49 H new ATOM 0 H5 C A 2 7.654 -12.961 5.105 1.00 0.47 H new ATOM 0 H6 C A 2 6.681 -14.965 4.125 1.00 0.46 H new ATOM 645 P C A 3 1.695 -16.016 1.718 1.00 0.67 P ATOM 646 OP1 C A 3 0.797 -16.590 2.752 1.00 1.20 O ATOM 647 OP2 C A 3 1.289 -16.057 0.290 1.00 1.00 O ATOM 648 O5' C A 3 1.993 -14.499 2.101 1.00 0.89 O ATOM 649 C5' C A 3 0.931 -13.528 2.145 1.00 0.68 C ATOM 650 C4' C A 3 0.320 -13.487 3.522 1.00 0.61 C ATOM 651 O4' C A 3 1.389 -13.646 4.487 1.00 0.67 O ATOM 652 C3' C A 3 -0.313 -12.154 3.865 1.00 0.56 C ATOM 653 O3' C A 3 -1.676 -12.117 3.421 1.00 0.57 O ATOM 654 C2' C A 3 -0.161 -12.069 5.382 1.00 0.57 C ATOM 655 O2' C A 3 -1.199 -12.693 6.108 1.00 0.64 O ATOM 656 C1' C A 3 1.143 -12.833 5.620 1.00 0.62 C ATOM 657 N1 C A 3 2.295 -11.933 5.773 1.00 0.61 N ATOM 658 C2 C A 3 2.366 -11.112 6.898 1.00 0.56 C ATOM 659 O2 C A 3 1.456 -11.167 7.737 1.00 0.55 O ATOM 660 N3 C A 3 3.422 -10.279 7.044 1.00 0.58 N ATOM 661 C4 C A 3 4.381 -10.251 6.116 1.00 0.65 C ATOM 662 N4 C A 3 5.405 -9.415 6.299 1.00 0.71 N ATOM 663 C5 C A 3 4.333 -11.079 4.958 1.00 0.71 C ATOM 664 C6 C A 3 3.282 -11.899 4.826 1.00 0.68 C ATOM 0 H5' C A 3 0.168 -13.779 1.408 1.00 0.68 H new ATOM 0 H5'' C A 3 1.317 -12.544 1.881 1.00 0.68 H new ATOM 0 H4' C A 3 -0.441 -14.267 3.544 1.00 0.61 H new ATOM 0 H3' C A 3 0.151 -11.298 3.375 1.00 0.56 H new ATOM 0 H2' C A 3 -0.179 -11.032 5.719 1.00 0.57 H new ATOM 0 HO2' C A 3 -1.346 -13.596 5.758 1.00 0.64 H new ATOM 0 H1' C A 3 1.030 -13.412 6.537 1.00 0.62 H new ATOM 0 H41 C A 3 6.155 -9.368 5.609 1.00 0.71 H new ATOM 0 H42 C A 3 5.438 -8.823 7.129 1.00 0.71 H new ATOM 0 H5 C A 3 5.115 -11.047 4.214 1.00 0.71 H new ATOM 0 H6 C A 3 3.213 -12.542 3.961 1.00 0.68 H new ATOM 676 P C A 4 -2.847 -12.755 4.321 1.00 0.57 P ATOM 677 OP1 C A 4 -2.324 -13.978 4.984 1.00 0.73 O ATOM 678 OP2 C A 4 -4.054 -12.850 3.463 1.00 0.60 O ATOM 679 O5' C A 4 -3.125 -11.634 5.418 1.00 0.61 O ATOM 680 C5' C A 4 -3.092 -10.239 5.060 1.00 0.51 C ATOM 681 C4' C A 4 -3.079 -9.377 6.296 1.00 0.47 C ATOM 682 O4' C A 4 -1.837 -9.601 7.004 1.00 0.55 O ATOM 683 C3' C A 4 -3.090 -7.886 6.008 1.00 0.45 C ATOM 684 O3' C A 4 -4.433 -7.419 5.828 1.00 0.51 O ATOM 685 C2' C A 4 -2.397 -7.293 7.233 1.00 0.47 C ATOM 686 O2' C A 4 -3.260 -7.038 8.323 1.00 0.57 O ATOM 687 C1' C A 4 -1.406 -8.396 7.610 1.00 0.48 C ATOM 688 N1 C A 4 -0.048 -8.106 7.128 1.00 0.43 N ATOM 689 C2 C A 4 0.707 -7.117 7.770 1.00 0.39 C ATOM 690 O2 C A 4 0.217 -6.518 8.738 1.00 0.43 O ATOM 691 N3 C A 4 1.948 -6.840 7.315 1.00 0.38 N ATOM 692 C4 C A 4 2.437 -7.507 6.270 1.00 0.45 C ATOM 693 N4 C A 4 3.659 -7.203 5.850 1.00 0.51 N ATOM 694 C5 C A 4 1.692 -8.517 5.606 1.00 0.51 C ATOM 695 C6 C A 4 0.467 -8.783 6.059 1.00 0.48 C ATOM 0 H5' C A 4 -3.960 -9.994 4.448 1.00 0.51 H new ATOM 0 H5'' C A 4 -2.208 -10.033 4.457 1.00 0.51 H new ATOM 0 H4' C A 4 -3.977 -9.649 6.851 1.00 0.47 H new ATOM 0 H3' C A 4 -2.583 -7.601 5.086 1.00 0.45 H new ATOM 0 H2' C A 4 -1.961 -6.320 7.007 1.00 0.47 H new ATOM 0 HO2' C A 4 -3.771 -7.848 8.532 1.00 0.57 H new ATOM 0 H1' C A 4 -1.375 -8.469 8.697 1.00 0.48 H new ATOM 0 H41 C A 4 4.061 -7.696 5.053 1.00 0.51 H new ATOM 0 H42 C A 4 4.195 -6.477 6.325 1.00 0.51 H new ATOM 0 H5 C A 4 2.104 -9.051 4.763 1.00 0.51 H new ATOM 0 H6 C A 4 -0.127 -9.544 5.574 1.00 0.48 H new ATOM 707 P U A 5 -5.417 -7.256 7.090 1.00 0.57 P ATOM 708 OP1 U A 5 -5.022 -8.234 8.136 1.00 0.77 O ATOM 709 OP2 U A 5 -6.807 -7.268 6.565 1.00 0.62 O ATOM 710 O5' U A 5 -5.107 -5.783 7.607 1.00 0.49 O ATOM 711 C5' U A 5 -4.239 -4.909 6.858 1.00 0.45 C ATOM 712 C4' U A 5 -3.486 -3.995 7.793 1.00 0.41 C ATOM 713 O4' U A 5 -2.178 -4.571 8.012 1.00 0.47 O ATOM 714 C3' U A 5 -3.171 -2.613 7.245 1.00 0.35 C ATOM 715 O3' U A 5 -4.250 -1.709 7.475 1.00 0.36 O ATOM 716 C2' U A 5 -1.953 -2.202 8.062 1.00 0.41 C ATOM 717 O2' U A 5 -2.297 -1.585 9.288 1.00 0.50 O ATOM 718 C1' U A 5 -1.265 -3.542 8.321 1.00 0.43 C ATOM 719 N1 U A 5 -0.066 -3.712 7.492 1.00 0.43 N ATOM 720 C2 U A 5 0.974 -2.850 7.733 1.00 0.40 C ATOM 721 O2 U A 5 0.918 -1.978 8.586 1.00 0.39 O ATOM 722 N3 U A 5 2.077 -3.041 6.944 1.00 0.43 N ATOM 723 C4 U A 5 2.242 -3.981 5.957 1.00 0.50 C ATOM 724 O4 U A 5 3.303 -4.018 5.330 1.00 0.54 O ATOM 725 C5 U A 5 1.116 -4.840 5.762 1.00 0.55 C ATOM 726 C6 U A 5 0.022 -4.682 6.519 1.00 0.51 C ATOM 0 H5' U A 5 -4.825 -4.318 6.154 1.00 0.45 H new ATOM 0 H5'' U A 5 -3.536 -5.499 6.270 1.00 0.45 H new ATOM 0 H4' U A 5 -4.131 -3.895 8.666 1.00 0.41 H new ATOM 0 H3' U A 5 -3.004 -2.607 6.168 1.00 0.35 H new ATOM 0 H2' U A 5 -1.339 -1.465 7.544 1.00 0.41 H new ATOM 0 HO2' U A 5 -3.242 -1.325 9.270 1.00 0.50 H new ATOM 0 H1' U A 5 -0.957 -3.576 9.366 1.00 0.43 H new ATOM 0 H3 U A 5 2.865 -2.414 7.108 1.00 0.43 H new ATOM 0 H5 U A 5 1.147 -5.613 5.008 1.00 0.55 H new ATOM 0 H6 U A 5 -0.821 -5.339 6.360 1.00 0.51 H new ATOM 737 P G A 6 -4.610 -0.600 6.369 1.00 0.43 P ATOM 738 OP1 G A 6 -6.088 -0.456 6.357 1.00 0.54 O ATOM 739 OP2 G A 6 -3.900 -0.952 5.115 1.00 0.65 O ATOM 740 O5' G A 6 -3.995 0.758 6.942 1.00 0.43 O ATOM 741 C5' G A 6 -2.619 0.836 7.377 1.00 0.47 C ATOM 742 C4' G A 6 -1.800 1.633 6.387 1.00 0.47 C ATOM 743 O4' G A 6 -0.431 1.157 6.411 1.00 0.53 O ATOM 744 C3' G A 6 -2.206 1.436 4.940 1.00 0.39 C ATOM 745 O3' G A 6 -3.284 2.308 4.611 1.00 0.41 O ATOM 746 C2' G A 6 -0.940 1.813 4.179 1.00 0.48 C ATOM 747 O2' G A 6 -0.852 3.198 3.902 1.00 0.59 O ATOM 748 C1' G A 6 0.168 1.394 5.149 1.00 0.49 C ATOM 749 N9 G A 6 0.844 0.173 4.723 1.00 0.50 N ATOM 750 C8 G A 6 0.353 -1.105 4.796 1.00 0.60 C ATOM 751 N7 G A 6 1.187 -2.003 4.344 1.00 0.63 N ATOM 752 C5 G A 6 2.296 -1.270 3.943 1.00 0.54 C ATOM 753 C6 G A 6 3.522 -1.698 3.362 1.00 0.55 C ATOM 754 O6 G A 6 3.884 -2.848 3.088 1.00 0.61 O ATOM 755 N1 G A 6 4.371 -0.625 3.103 1.00 0.55 N ATOM 756 C2 G A 6 4.074 0.691 3.369 1.00 0.57 C ATOM 757 N2 G A 6 5.018 1.594 3.049 1.00 0.70 N ATOM 758 N3 G A 6 2.937 1.100 3.909 1.00 0.53 N ATOM 759 C4 G A 6 2.101 0.074 4.168 1.00 0.49 C ATOM 0 H5' G A 6 -2.205 -0.167 7.478 1.00 0.47 H new ATOM 0 H5'' G A 6 -2.567 1.302 8.361 1.00 0.47 H new ATOM 0 H4' G A 6 -1.942 2.672 6.686 1.00 0.47 H new ATOM 0 H3' G A 6 -2.554 0.429 4.711 1.00 0.39 H new ATOM 0 H2' G A 6 -0.893 1.335 3.201 1.00 0.48 H new ATOM 0 HO2' G A 6 -0.163 3.353 3.223 1.00 0.59 H new ATOM 0 H1' G A 6 0.912 2.190 5.187 1.00 0.49 H new ATOM 0 H8 G A 6 -0.624 -1.345 5.188 1.00 0.60 H new ATOM 0 H1 G A 6 5.279 -0.830 2.686 1.00 0.55 H new ATOM 0 H21 G A 6 4.855 2.586 3.223 1.00 0.70 H new ATOM 0 H22 G A 6 5.897 1.287 2.632 1.00 0.70 H new ATOM 771 P A A 7 -4.105 2.078 3.251 1.00 0.43 P ATOM 772 OP1 A A 7 -4.464 3.405 2.691 1.00 0.66 O ATOM 773 OP2 A A 7 -5.175 1.088 3.538 1.00 0.74 O ATOM 774 O5' A A 7 -3.043 1.395 2.281 1.00 0.33 O ATOM 775 C5' A A 7 -3.378 1.095 0.917 1.00 0.29 C ATOM 776 C4' A A 7 -2.445 1.819 -0.021 1.00 0.23 C ATOM 777 O4' A A 7 -2.641 3.244 0.117 1.00 0.23 O ATOM 778 C3' A A 7 -0.966 1.646 0.276 1.00 0.25 C ATOM 779 O3' A A 7 -0.482 0.436 -0.295 1.00 0.27 O ATOM 780 C2' A A 7 -0.346 2.865 -0.402 1.00 0.24 C ATOM 781 O2' A A 7 -0.058 2.651 -1.770 1.00 0.25 O ATOM 782 C1' A A 7 -1.452 3.910 -0.261 1.00 0.21 C ATOM 783 N9 A A 7 -1.144 4.925 0.746 1.00 0.24 N ATOM 784 C8 A A 7 -1.711 5.096 1.984 1.00 0.29 C ATOM 785 N7 A A 7 -1.209 6.102 2.659 1.00 0.33 N ATOM 786 C5 A A 7 -0.250 6.630 1.807 1.00 0.30 C ATOM 787 C6 A A 7 0.636 7.715 1.933 1.00 0.34 C ATOM 788 N6 A A 7 0.701 8.496 3.014 1.00 0.39 N ATOM 789 N1 A A 7 1.463 7.974 0.896 1.00 0.35 N ATOM 790 C2 A A 7 1.396 7.190 -0.188 1.00 0.32 C ATOM 791 N3 A A 7 0.608 6.144 -0.424 1.00 0.27 N ATOM 792 C4 A A 7 -0.200 5.915 0.625 1.00 0.25 C ATOM 0 H5' A A 7 -4.408 1.389 0.715 1.00 0.29 H new ATOM 0 H5'' A A 7 -3.314 0.020 0.747 1.00 0.29 H new ATOM 0 H4' A A 7 -2.680 1.399 -0.999 1.00 0.23 H new ATOM 0 H3' A A 7 -0.734 1.583 1.339 1.00 0.25 H new ATOM 0 H2' A A 7 0.610 3.140 0.043 1.00 0.24 H new ATOM 0 HO2' A A 7 0.335 3.463 -2.152 1.00 0.25 H new ATOM 0 H1' A A 7 -1.556 4.421 -1.218 1.00 0.21 H new ATOM 0 H8 A A 7 -2.497 4.462 2.366 1.00 0.29 H new ATOM 0 H61 A A 7 1.366 9.269 3.046 1.00 0.39 H new ATOM 0 H62 A A 7 0.086 8.320 3.808 1.00 0.39 H new ATOM 0 H2 A A 7 2.080 7.443 -0.985 1.00 0.32 H new ATOM 804 P A A 8 0.529 -0.489 0.542 1.00 0.37 P ATOM 805 OP1 A A 8 0.323 -1.891 0.096 1.00 0.47 O ATOM 806 OP2 A A 8 0.391 -0.149 1.981 1.00 0.44 O ATOM 807 O5' A A 8 1.969 -0.018 0.051 1.00 0.38 O ATOM 808 C5' A A 8 2.155 0.532 -1.267 1.00 0.39 C ATOM 809 C4' A A 8 3.096 1.711 -1.209 1.00 0.43 C ATOM 810 O4' A A 8 2.415 2.813 -0.559 1.00 0.37 O ATOM 811 C3' A A 8 4.322 1.476 -0.344 1.00 0.53 C ATOM 812 O3' A A 8 5.381 0.854 -1.079 1.00 0.66 O ATOM 813 C2' A A 8 4.707 2.884 0.095 1.00 0.50 C ATOM 814 O2' A A 8 5.509 3.555 -0.856 1.00 0.58 O ATOM 815 C1' A A 8 3.345 3.573 0.194 1.00 0.38 C ATOM 816 N9 A A 8 2.856 3.641 1.568 1.00 0.36 N ATOM 817 C8 A A 8 1.870 2.878 2.137 1.00 0.42 C ATOM 818 N7 A A 8 1.634 3.171 3.393 1.00 0.47 N ATOM 819 C5 A A 8 2.531 4.193 3.672 1.00 0.41 C ATOM 820 C6 A A 8 2.789 4.933 4.837 1.00 0.44 C ATOM 821 N6 A A 8 2.136 4.754 5.988 1.00 0.54 N ATOM 822 N1 A A 8 3.756 5.875 4.783 1.00 0.40 N ATOM 823 C2 A A 8 4.413 6.053 3.629 1.00 0.36 C ATOM 824 N3 A A 8 4.259 5.422 2.466 1.00 0.35 N ATOM 825 C4 A A 8 3.291 4.493 2.556 1.00 0.35 C ATOM 0 H5' A A 8 1.195 0.843 -1.679 1.00 0.39 H new ATOM 0 H5'' A A 8 2.556 -0.231 -1.935 1.00 0.39 H new ATOM 0 H4' A A 8 3.397 1.896 -2.240 1.00 0.43 H new ATOM 0 H3' A A 8 4.128 0.801 0.490 1.00 0.53 H new ATOM 0 H2' A A 8 5.296 2.883 1.012 1.00 0.50 H new ATOM 0 HO2' A A 8 5.110 3.460 -1.746 1.00 0.58 H new ATOM 0 H1' A A 8 3.454 4.591 -0.180 1.00 0.38 H new ATOM 0 H8 A A 8 1.337 2.107 1.601 1.00 0.42 H new ATOM 0 H61 A A 8 2.370 5.324 6.801 1.00 0.54 H new ATOM 0 H62 A A 8 1.404 4.047 6.054 1.00 0.54 H new ATOM 0 H2 A A 8 5.176 6.817 3.644 1.00 0.36 H new ATOM 837 P A A 9 5.363 0.870 -2.688 1.00 1.47 P ATOM 838 OP1 A A 9 5.297 2.288 -3.117 1.00 2.33 O ATOM 839 OP2 A A 9 4.329 -0.088 -3.156 1.00 2.35 O ATOM 840 O5' A A 9 6.791 0.295 -3.096 1.00 1.08 O ATOM 841 C5' A A 9 7.941 0.527 -2.264 1.00 1.04 C ATOM 842 C4' A A 9 8.568 1.854 -2.602 1.00 1.09 C ATOM 843 O4' A A 9 7.962 2.359 -3.819 1.00 1.26 O ATOM 844 C3' A A 9 8.281 2.947 -1.594 1.00 0.99 C ATOM 845 O3' A A 9 9.182 2.893 -0.495 1.00 1.17 O ATOM 846 C2' A A 9 8.470 4.213 -2.416 1.00 1.26 C ATOM 847 O2' A A 9 9.828 4.599 -2.520 1.00 1.57 O ATOM 848 C1' A A 9 7.946 3.775 -3.787 1.00 1.29 C ATOM 849 N9 A A 9 6.566 4.205 -4.010 1.00 0.00 N ATOM 850 C8 A A 9 5.773 4.940 -3.163 1.00 0.00 C ATOM 851 N7 A A 9 4.573 5.174 -3.632 1.00 0.00 N ATOM 852 C5 A A 9 4.571 4.548 -4.870 1.00 0.00 C ATOM 853 C6 A A 9 3.585 4.419 -5.864 1.00 0.00 C ATOM 854 N6 A A 9 2.362 4.946 -5.766 1.00 0.00 N ATOM 855 N1 A A 9 3.902 3.723 -6.975 1.00 0.00 N ATOM 856 C2 A A 9 5.128 3.194 -7.071 1.00 0.00 C ATOM 857 N3 A A 9 6.140 3.247 -6.209 1.00 0.00 N ATOM 858 C4 A A 9 5.793 3.946 -5.117 1.00 0.00 C ATOM 0 H5' A A 9 8.668 -0.273 -2.404 1.00 1.04 H new ATOM 0 H5'' A A 9 7.648 0.512 -1.214 1.00 1.04 H new ATOM 0 H4' A A 9 9.639 1.656 -2.655 1.00 1.09 H new ATOM 0 H3' A A 9 7.292 2.871 -1.142 1.00 0.99 H new ATOM 0 H2' A A 9 7.967 5.076 -1.979 1.00 1.26 H new ATOM 0 HO2' A A 9 10.351 4.144 -1.828 1.00 1.57 H new ATOM 0 H1' A A 9 8.576 4.223 -4.556 1.00 1.29 H new ATOM 0 H8 A A 9 6.108 5.293 -2.199 1.00 0.00 H new ATOM 0 H61 A A 9 1.689 4.818 -6.522 1.00 0.00 H new ATOM 0 H62 A A 9 2.100 5.477 -4.935 1.00 0.00 H new ATOM 0 H2 A A 9 5.324 2.645 -7.980 1.00 0.00 H new ATOM 870 P A A 10 8.639 3.211 0.982 1.00 1.33 P ATOM 871 OP1 A A 10 7.401 2.402 1.199 1.00 2.10 O ATOM 872 OP2 A A 10 8.591 4.685 1.154 1.00 2.11 O ATOM 873 O5' A A 10 9.767 2.635 1.946 1.00 0.79 O ATOM 874 C5' A A 10 9.481 2.402 3.330 1.00 0.59 C ATOM 875 C4' A A 10 9.535 3.699 4.098 1.00 0.54 C ATOM 876 O4' A A 10 8.246 4.346 3.991 1.00 0.50 O ATOM 877 C3' A A 10 9.764 3.524 5.585 1.00 0.50 C ATOM 878 O3' A A 10 11.164 3.502 5.862 1.00 0.61 O ATOM 879 C2' A A 10 9.068 4.733 6.197 1.00 0.50 C ATOM 880 O2' A A 10 9.905 5.872 6.257 1.00 0.61 O ATOM 881 C1' A A 10 7.920 4.978 5.214 1.00 0.48 C ATOM 882 N9 A A 10 6.662 4.383 5.652 1.00 0.45 N ATOM 883 C8 A A 10 5.935 3.440 4.975 1.00 0.45 C ATOM 884 N7 A A 10 4.841 3.071 5.592 1.00 0.51 N ATOM 885 C5 A A 10 4.851 3.824 6.761 1.00 0.54 C ATOM 886 C6 A A 10 3.965 3.893 7.849 1.00 0.64 C ATOM 887 N6 A A 10 2.846 3.170 7.942 1.00 0.72 N ATOM 888 N1 A A 10 4.271 4.743 8.854 1.00 0.69 N ATOM 889 C2 A A 10 5.393 5.468 8.760 1.00 0.66 C ATOM 890 N3 A A 10 6.303 5.491 7.789 1.00 0.58 N ATOM 891 C4 A A 10 5.969 4.636 6.808 1.00 0.51 C ATOM 0 H5' A A 10 10.201 1.696 3.744 1.00 0.59 H new ATOM 0 H5'' A A 10 8.495 1.950 3.434 1.00 0.59 H new ATOM 0 H4' A A 10 10.364 4.263 3.672 1.00 0.54 H new ATOM 0 H3' A A 10 9.374 2.589 5.989 1.00 0.50 H new ATOM 0 H2' A A 10 8.761 4.556 7.228 1.00 0.50 H new ATOM 0 HO2' A A 10 10.842 5.588 6.286 1.00 0.61 H new ATOM 0 H1' A A 10 7.794 6.058 5.131 1.00 0.48 H new ATOM 0 H8 A A 10 6.237 3.038 4.019 1.00 0.45 H new ATOM 0 H61 A A 10 2.243 3.266 8.759 1.00 0.72 H new ATOM 0 H62 A A 10 2.594 2.522 7.196 1.00 0.72 H new ATOM 0 H2 A A 10 5.587 6.129 9.592 1.00 0.66 H new ATOM 903 P A A 11 11.692 2.924 7.266 1.00 0.62 P ATOM 904 OP1 A A 11 12.666 3.905 7.810 1.00 0.65 O ATOM 905 OP2 A A 11 12.105 1.513 7.066 1.00 0.77 O ATOM 906 O5' A A 11 10.402 2.942 8.199 1.00 0.58 O ATOM 907 C5' A A 11 10.348 3.771 9.373 1.00 0.56 C ATOM 908 C4' A A 11 8.991 3.658 10.024 1.00 0.49 C ATOM 909 O4' A A 11 8.008 3.456 8.980 1.00 0.46 O ATOM 910 C3' A A 11 8.832 2.461 10.943 1.00 0.47 C ATOM 911 O3' A A 11 9.261 2.809 12.264 1.00 0.51 O ATOM 912 C2' A A 11 7.335 2.174 10.872 1.00 0.43 C ATOM 913 O2' A A 11 6.582 2.949 11.784 1.00 0.47 O ATOM 914 C1' A A 11 6.984 2.598 9.445 1.00 0.42 C ATOM 915 N9 A A 11 6.896 1.480 8.506 1.00 0.41 N ATOM 916 C8 A A 11 7.847 1.069 7.605 1.00 0.46 C ATOM 917 N7 A A 11 7.470 0.056 6.861 1.00 0.47 N ATOM 918 C5 A A 11 6.186 -0.225 7.308 1.00 0.42 C ATOM 919 C6 A A 11 5.236 -1.191 6.923 1.00 0.43 C ATOM 920 N6 A A 11 5.429 -2.099 5.957 1.00 0.49 N ATOM 921 N1 A A 11 4.055 -1.195 7.575 1.00 0.40 N ATOM 922 C2 A A 11 3.846 -0.294 8.541 1.00 0.37 C ATOM 923 N3 A A 11 4.654 0.660 8.990 1.00 0.37 N ATOM 924 C4 A A 11 5.822 0.642 8.325 1.00 0.39 C ATOM 0 H5' A A 11 10.546 4.809 9.105 1.00 0.56 H new ATOM 0 H5'' A A 11 11.124 3.470 10.077 1.00 0.56 H new ATOM 0 H4' A A 11 8.868 4.570 10.608 1.00 0.49 H new ATOM 0 H3' A A 11 9.427 1.591 10.664 1.00 0.47 H new ATOM 0 H2' A A 11 7.111 1.136 11.119 1.00 0.43 H new ATOM 0 HO2' A A 11 6.593 2.520 12.665 1.00 0.47 H new ATOM 0 H1' A A 11 6.005 3.075 9.486 1.00 0.42 H new ATOM 0 H8 A A 11 8.817 1.537 7.517 1.00 0.46 H new ATOM 0 H61 A A 11 4.693 -2.769 5.733 1.00 0.49 H new ATOM 0 H62 A A 11 6.312 -2.120 5.446 1.00 0.49 H new ATOM 0 H2 A A 11 2.882 -0.350 9.025 1.00 0.37 H new ATOM 936 P G A 12 8.648 2.055 13.551 1.00 0.56 P ATOM 937 OP1 G A 12 7.197 1.849 13.344 1.00 0.65 O ATOM 938 OP2 G A 12 9.111 2.809 14.744 1.00 0.68 O ATOM 939 O5' G A 12 9.392 0.641 13.587 1.00 0.50 O ATOM 940 C5' G A 12 8.872 -0.524 12.900 1.00 0.47 C ATOM 941 C4' G A 12 7.364 -0.557 12.964 1.00 0.42 C ATOM 942 O4' G A 12 6.864 -0.360 11.619 1.00 0.40 O ATOM 943 C3' G A 12 6.767 -1.884 13.392 1.00 0.39 C ATOM 944 O3' G A 12 6.649 -1.948 14.811 1.00 0.43 O ATOM 945 C2' G A 12 5.394 -1.869 12.728 1.00 0.35 C ATOM 946 O2' G A 12 4.419 -1.199 13.505 1.00 0.37 O ATOM 947 C1' G A 12 5.665 -1.088 11.440 1.00 0.35 C ATOM 948 N9 G A 12 5.850 -1.974 10.296 1.00 0.33 N ATOM 949 C8 G A 12 6.960 -2.069 9.492 1.00 0.36 C ATOM 950 N7 G A 12 6.840 -2.975 8.560 1.00 0.36 N ATOM 951 C5 G A 12 5.572 -3.506 8.759 1.00 0.33 C ATOM 952 C6 G A 12 4.883 -4.523 8.053 1.00 0.36 C ATOM 953 O6 G A 12 5.269 -5.182 7.083 1.00 0.40 O ATOM 954 N1 G A 12 3.616 -4.750 8.583 1.00 0.36 N ATOM 955 C2 G A 12 3.086 -4.082 9.659 1.00 0.34 C ATOM 956 N2 G A 12 1.845 -4.446 10.024 1.00 0.37 N ATOM 957 N3 G A 12 3.717 -3.131 10.327 1.00 0.31 N ATOM 958 C4 G A 12 4.947 -2.896 9.825 1.00 0.31 C ATOM 0 H5' G A 12 9.279 -1.429 13.351 1.00 0.47 H new ATOM 0 H5'' G A 12 9.196 -0.513 11.859 1.00 0.47 H new ATOM 0 H4' G A 12 7.088 0.203 13.695 1.00 0.42 H new ATOM 0 H3' G A 12 7.371 -2.745 13.107 1.00 0.39 H new ATOM 0 H2' G A 12 4.994 -2.872 12.581 1.00 0.35 H new ATOM 0 HO2' G A 12 4.755 -1.076 14.417 1.00 0.37 H new ATOM 0 H1' G A 12 4.810 -0.442 11.243 1.00 0.35 H new ATOM 0 H8 G A 12 7.841 -1.457 9.618 1.00 0.36 H new ATOM 0 H1 G A 12 3.039 -5.465 8.140 1.00 0.36 H new ATOM 0 H21 G A 12 1.392 -3.990 10.816 1.00 0.37 H new ATOM 0 H22 G A 12 1.356 -5.179 9.509 1.00 0.37 H new ATOM 970 P G A 13 7.149 -3.259 15.594 1.00 0.51 P ATOM 971 OP1 G A 13 7.358 -2.875 17.014 1.00 0.59 O ATOM 972 OP2 G A 13 8.267 -3.862 14.826 1.00 0.57 O ATOM 973 O5' G A 13 5.903 -4.249 15.527 1.00 0.57 O ATOM 974 C5' G A 13 4.630 -3.876 16.088 1.00 0.62 C ATOM 975 C4' G A 13 3.581 -4.893 15.720 1.00 0.60 C ATOM 976 O4' G A 13 3.266 -4.735 14.315 1.00 0.59 O ATOM 977 C3' G A 13 4.042 -6.332 15.848 1.00 0.59 C ATOM 978 O3' G A 13 3.803 -6.811 17.169 1.00 0.66 O ATOM 979 C2' G A 13 3.165 -7.057 14.836 1.00 0.57 C ATOM 980 O2' G A 13 1.920 -7.460 15.374 1.00 0.63 O ATOM 981 C1' G A 13 2.951 -5.994 13.756 1.00 0.54 C ATOM 982 N9 G A 13 3.806 -6.198 12.591 1.00 0.50 N ATOM 983 C8 G A 13 4.993 -5.569 12.308 1.00 0.54 C ATOM 984 N7 G A 13 5.529 -5.967 11.187 1.00 0.56 N ATOM 985 C5 G A 13 4.641 -6.918 10.701 1.00 0.50 C ATOM 986 C6 G A 13 4.688 -7.699 9.517 1.00 0.53 C ATOM 987 O6 G A 13 5.552 -7.707 8.633 1.00 0.60 O ATOM 988 N1 G A 13 3.582 -8.540 9.410 1.00 0.51 N ATOM 989 C2 G A 13 2.562 -8.613 10.331 1.00 0.48 C ATOM 990 N2 G A 13 1.580 -9.483 10.058 1.00 0.52 N ATOM 991 N3 G A 13 2.509 -7.891 11.437 1.00 0.47 N ATOM 992 C4 G A 13 3.572 -7.071 11.556 1.00 0.47 C ATOM 0 H5' G A 13 4.337 -2.892 15.722 1.00 0.62 H new ATOM 0 H5'' G A 13 4.710 -3.802 17.172 1.00 0.62 H new ATOM 0 H4' G A 13 2.749 -4.718 16.402 1.00 0.60 H new ATOM 0 H3' G A 13 5.108 -6.471 15.667 1.00 0.59 H new ATOM 0 H2' G A 13 3.627 -7.979 14.483 1.00 0.57 H new ATOM 0 HO2' G A 13 1.873 -8.439 15.393 1.00 0.63 H new ATOM 0 H1' G A 13 1.914 -6.056 13.425 1.00 0.54 H new ATOM 0 H8 G A 13 5.438 -4.821 12.948 1.00 0.54 H new ATOM 0 H1 G A 13 3.524 -9.145 8.591 1.00 0.51 H new ATOM 0 H21 G A 13 0.795 -9.584 10.701 1.00 0.52 H new ATOM 0 H22 G A 13 1.618 -10.044 9.207 1.00 0.52 H new ATOM 1004 P G A 14 4.103 -8.347 17.527 1.00 0.74 P ATOM 1005 OP1 G A 14 3.797 -8.560 18.965 1.00 0.90 O ATOM 1006 OP2 G A 14 5.458 -8.668 17.011 1.00 0.80 O ATOM 1007 O5' G A 14 3.039 -9.160 16.664 1.00 0.68 O ATOM 1008 C5' G A 14 1.895 -9.777 17.286 1.00 0.70 C ATOM 1009 C4' G A 14 1.444 -10.969 16.474 1.00 0.68 C ATOM 1010 O4' G A 14 1.310 -10.556 15.090 1.00 0.67 O ATOM 1011 C3' G A 14 2.441 -12.109 16.414 1.00 0.67 C ATOM 1012 O3' G A 14 2.297 -12.971 17.535 1.00 0.77 O ATOM 1013 C2' G A 14 2.063 -12.814 15.118 1.00 0.67 C ATOM 1014 O2' G A 14 0.994 -13.726 15.283 1.00 0.80 O ATOM 1015 C1' G A 14 1.613 -11.646 14.237 1.00 0.61 C ATOM 1016 N9 G A 14 2.668 -11.219 13.327 1.00 0.50 N ATOM 1017 C8 G A 14 3.495 -10.132 13.474 1.00 0.50 C ATOM 1018 N7 G A 14 4.362 -10.014 12.507 1.00 0.47 N ATOM 1019 C5 G A 14 4.090 -11.087 11.669 1.00 0.41 C ATOM 1020 C6 G A 14 4.707 -11.483 10.455 1.00 0.40 C ATOM 1021 O6 G A 14 5.648 -10.942 9.862 1.00 0.45 O ATOM 1022 N1 G A 14 4.120 -12.634 9.929 1.00 0.41 N ATOM 1023 C2 G A 14 3.072 -13.311 10.507 1.00 0.46 C ATOM 1024 N2 G A 14 2.639 -14.398 9.855 1.00 0.55 N ATOM 1025 N3 G A 14 2.489 -12.951 11.639 1.00 0.49 N ATOM 1026 C4 G A 14 3.046 -11.838 12.161 1.00 0.44 C ATOM 0 H5' G A 14 1.083 -9.055 17.369 1.00 0.70 H new ATOM 0 H5'' G A 14 2.147 -10.091 18.299 1.00 0.70 H new ATOM 0 H4' G A 14 0.528 -11.310 16.958 1.00 0.68 H new ATOM 0 H3' G A 14 3.480 -11.782 16.437 1.00 0.67 H new ATOM 0 H2' G A 14 2.883 -13.409 14.717 1.00 0.67 H new ATOM 0 HO2' G A 14 0.790 -14.150 14.423 1.00 0.80 H new ATOM 0 H1' G A 14 0.754 -11.966 13.646 1.00 0.61 H new ATOM 0 H8 G A 14 3.433 -9.445 14.305 1.00 0.50 H new ATOM 0 H1 G A 14 4.495 -12.999 9.054 1.00 0.41 H new ATOM 0 H21 G A 14 1.864 -14.944 10.232 1.00 0.55 H new ATOM 0 H22 G A 14 3.084 -14.680 8.981 1.00 0.55 H new ATOM 1038 P C A 15 3.570 -13.790 18.075 1.00 0.87 P ATOM 1039 OP1 C A 15 3.199 -14.380 19.386 1.00 0.91 O ATOM 1040 OP2 C A 15 4.764 -12.911 17.976 1.00 1.02 O ATOM 1041 O5' C A 15 3.731 -14.975 17.023 1.00 0.85 O ATOM 1042 C5' C A 15 2.625 -15.841 16.723 1.00 0.94 C ATOM 1043 C4' C A 15 2.956 -16.727 15.545 1.00 0.97 C ATOM 1044 O4' C A 15 3.041 -15.921 14.346 1.00 0.84 O ATOM 1045 C3' C A 15 4.321 -17.386 15.614 1.00 1.09 C ATOM 1046 O3' C A 15 4.269 -18.587 16.396 1.00 1.31 O ATOM 1047 C2' C A 15 4.615 -17.701 14.152 1.00 1.09 C ATOM 1048 O2' C A 15 4.087 -18.947 13.741 1.00 1.30 O ATOM 1049 C1' C A 15 3.902 -16.560 13.421 1.00 0.89 C ATOM 1050 N1 C A 15 4.850 -15.570 12.892 1.00 0.75 N ATOM 1051 C2 C A 15 5.568 -15.890 11.737 1.00 0.77 C ATOM 1052 O2 C A 15 5.372 -16.983 11.189 1.00 0.89 O ATOM 1053 N3 C A 15 6.455 -15.004 11.247 1.00 0.70 N ATOM 1054 C4 C A 15 6.641 -13.838 11.859 1.00 0.66 C ATOM 1055 N4 C A 15 7.530 -13.006 11.331 1.00 0.71 N ATOM 1056 C5 C A 15 5.924 -13.481 13.038 1.00 0.64 C ATOM 1057 C6 C A 15 5.043 -14.369 13.517 1.00 0.66 C ATOM 0 H5' C A 15 1.739 -15.246 16.502 1.00 0.94 H new ATOM 0 H5'' C A 15 2.388 -16.454 17.593 1.00 0.94 H new ATOM 0 H4' C A 15 2.169 -17.482 15.548 1.00 0.97 H new ATOM 0 H3' C A 15 5.081 -16.762 16.084 1.00 1.09 H new ATOM 0 H2' C A 15 5.684 -17.774 13.954 1.00 1.09 H new ATOM 0 HO2' C A 15 3.886 -19.493 14.529 1.00 1.30 H new ATOM 0 HO3' C A 15 5.159 -18.997 16.426 1.00 1.31 H new ATOM 0 H1' C A 15 3.351 -16.976 12.577 1.00 0.89 H new ATOM 0 H41 C A 15 7.704 -12.101 11.768 1.00 0.71 H new ATOM 0 H42 C A 15 8.039 -13.272 10.488 1.00 0.71 H new ATOM 0 H5 C A 15 6.085 -12.531 13.526 1.00 0.64 H new ATOM 0 H6 C A 15 4.478 -14.134 14.407 1.00 0.66 H new TER 1069 C A 15