USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 460 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 G O2' : rot 42:sc= -6.14! USER MOD Single : A 2 C O2' : rot -67:sc= 0.593 USER MOD Single : A 3 C O2' : rot 48:sc= -6.46! USER MOD Single : A 4 C O2' : rot 54:sc= -5.79! USER MOD Single : A 5 U O2' : rot -21:sc= -0.23 USER MOD Single : A 6 G O2' : rot -176:sc= 0.196 USER MOD Single : A 7 A O2' : rot 180:sc= -5.22! USER MOD Single : A 8 A O2' : rot 50:sc= -2.91! USER MOD Single : A 9 A O2' : rot -15:sc= 0.13 USER MOD Single : A 10 A O2' : rot 180:sc=-0.00531 USER MOD Single : A 11 A O2' : rot -17:sc= 0.162 USER MOD Single : A 12 G O2' : rot 44:sc= -5.13! USER MOD Single : A 13 G O2' : rot -125:sc= -0.522 USER MOD Single : A 14 G O2' : rot 180:sc= -1.96! USER MOD Single : A 15 C O2' : rot -29:sc= 0.168 USER MOD Single : A 15 C O3' : rot 180:sc= 0.14 USER MOD Single : B 4 GLN : amide:sc= -1.51 K(o=-1.5,f=-2!) USER MOD Single : B 5 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 GLN :FLIP amide:sc= -2.59! C(o=-4.3!,f=-2.6!) USER MOD Single : B 17 GLN : amide:sc= -1.01 K(o=-1,f=-2.1!) USER MOD Single : B 19 LYS NZ :NH3+ 167:sc= -0.287 (180deg=-0.435) USER MOD Single : B 22 ASN : amide:sc= -5.95! C(o=-5.9!,f=-5.6!) USER MOD Single : B 29 SER OG : rot 180:sc= 0 USER MOD Single : B 31 LYS NZ :NH3+ -112:sc= -0.0138 (180deg=-0.243) USER MOD Single : B 34 ASN : amide:sc= -1.32 X(o=-1.3,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP B 2 10.506 -11.535 -1.520 1.00 0.76 N ATOM 2 CA ASP B 2 10.021 -11.397 -0.113 1.00 0.88 C ATOM 3 C ASP B 2 8.538 -11.747 -0.031 1.00 0.68 C ATOM 4 O ASP B 2 7.983 -12.366 -0.918 1.00 0.66 O ATOM 5 CB ASP B 2 10.238 -9.926 0.263 1.00 1.25 C ATOM 6 CG ASP B 2 11.640 -9.477 -0.160 1.00 1.88 C ATOM 7 OD1 ASP B 2 12.597 -10.061 0.322 1.00 2.35 O ATOM 8 OD2 ASP B 2 11.731 -8.559 -0.958 1.00 2.37 O ATOM 0 HA ASP B 2 10.553 -12.067 0.562 1.00 0.88 H new ATOM 0 HB2 ASP B 2 9.486 -9.304 -0.222 1.00 1.25 H new ATOM 0 HB3 ASP B 2 10.114 -9.795 1.338 1.00 1.25 H new ATOM 15 N ALA B 3 7.895 -11.352 1.031 1.00 0.63 N ATOM 16 CA ALA B 3 6.442 -11.655 1.187 1.00 0.58 C ATOM 17 C ALA B 3 5.628 -10.365 1.169 1.00 0.63 C ATOM 18 O ALA B 3 4.612 -10.273 0.508 1.00 0.61 O ATOM 19 CB ALA B 3 6.321 -12.353 2.542 1.00 0.75 C ATOM 0 H ALA B 3 8.313 -10.830 1.802 1.00 0.63 H new ATOM 0 HA ALA B 3 6.062 -12.278 0.377 1.00 0.58 H new ATOM 0 HB1 ALA B 3 5.278 -12.608 2.728 1.00 0.75 H new ATOM 0 HB2 ALA B 3 6.921 -13.263 2.538 1.00 0.75 H new ATOM 0 HB3 ALA B 3 6.678 -11.687 3.328 1.00 0.75 H new ATOM 25 N GLN B 4 6.066 -9.366 1.879 1.00 0.75 N ATOM 26 CA GLN B 4 5.312 -8.082 1.885 1.00 0.89 C ATOM 27 C GLN B 4 5.403 -7.448 0.509 1.00 0.79 C ATOM 28 O GLN B 4 4.402 -7.142 -0.109 1.00 0.81 O ATOM 29 CB GLN B 4 5.993 -7.205 2.934 1.00 1.09 C ATOM 30 CG GLN B 4 5.114 -5.988 3.227 1.00 1.29 C ATOM 31 CD GLN B 4 5.944 -4.917 3.936 1.00 0.85 C ATOM 32 OE1 GLN B 4 6.535 -5.171 4.966 1.00 1.14 O ATOM 33 NE2 GLN B 4 6.017 -3.719 3.423 1.00 0.94 N ATOM 0 H GLN B 4 6.909 -9.381 2.453 1.00 0.75 H new ATOM 0 HA GLN B 4 4.256 -8.217 2.119 1.00 0.89 H new ATOM 0 HB2 GLN B 4 6.160 -7.775 3.848 1.00 1.09 H new ATOM 0 HB3 GLN B 4 6.971 -6.883 2.576 1.00 1.09 H new ATOM 0 HG2 GLN B 4 4.704 -5.590 2.299 1.00 1.29 H new ATOM 0 HG3 GLN B 4 4.268 -6.279 3.850 1.00 1.29 H new ATOM 0 HE21 GLN B 4 5.521 -3.504 2.558 1.00 0.94 H new ATOM 0 HE22 GLN B 4 6.570 -2.998 3.887 1.00 0.94 H new ATOM 42 N THR B 5 6.596 -7.278 0.009 1.00 0.76 N ATOM 43 CA THR B 5 6.744 -6.699 -1.356 1.00 0.79 C ATOM 44 C THR B 5 5.824 -7.478 -2.293 1.00 0.59 C ATOM 45 O THR B 5 5.233 -6.938 -3.208 1.00 0.57 O ATOM 46 CB THR B 5 8.211 -6.904 -1.731 1.00 0.94 C ATOM 47 OG1 THR B 5 9.035 -6.187 -0.823 1.00 1.26 O ATOM 48 CG2 THR B 5 8.444 -6.391 -3.150 1.00 0.94 C ATOM 0 H THR B 5 7.469 -7.513 0.482 1.00 0.76 H new ATOM 0 HA THR B 5 6.480 -5.643 -1.414 1.00 0.79 H new ATOM 0 HB THR B 5 8.458 -7.964 -1.682 1.00 0.94 H new ATOM 0 HG1 THR B 5 9.976 -6.319 -1.061 1.00 1.26 H new ATOM 0 HG21 THR B 5 9.490 -6.535 -3.422 1.00 0.94 H new ATOM 0 HG22 THR B 5 7.809 -6.941 -3.845 1.00 0.94 H new ATOM 0 HG23 THR B 5 8.200 -5.330 -3.198 1.00 0.94 H new ATOM 56 N ARG B 6 5.666 -8.746 -2.020 1.00 0.48 N ATOM 57 CA ARG B 6 4.745 -9.581 -2.833 1.00 0.46 C ATOM 58 C ARG B 6 3.326 -9.204 -2.471 1.00 0.43 C ATOM 59 O ARG B 6 2.477 -9.013 -3.320 1.00 0.45 O ATOM 60 CB ARG B 6 4.992 -11.019 -2.387 1.00 0.56 C ATOM 61 CG ARG B 6 5.580 -11.833 -3.543 1.00 0.78 C ATOM 62 CD ARG B 6 4.948 -13.227 -3.560 1.00 1.03 C ATOM 63 NE ARG B 6 5.772 -14.038 -2.616 1.00 0.88 N ATOM 64 CZ ARG B 6 5.717 -15.348 -2.635 1.00 0.73 C ATOM 65 NH1 ARG B 6 4.940 -15.973 -3.484 1.00 1.26 N ATOM 66 NH2 ARG B 6 6.446 -16.036 -1.800 1.00 1.43 N ATOM 0 H ARG B 6 6.140 -9.239 -1.263 1.00 0.48 H new ATOM 0 HA ARG B 6 4.900 -9.451 -3.904 1.00 0.46 H new ATOM 0 HB2 ARG B 6 5.675 -11.033 -1.538 1.00 0.56 H new ATOM 0 HB3 ARG B 6 4.058 -11.470 -2.052 1.00 0.56 H new ATOM 0 HG2 ARG B 6 5.394 -11.326 -4.490 1.00 0.78 H new ATOM 0 HG3 ARG B 6 6.661 -11.914 -3.432 1.00 0.78 H new ATOM 0 HD2 ARG B 6 3.906 -13.191 -3.243 1.00 1.03 H new ATOM 0 HD3 ARG B 6 4.962 -13.654 -4.563 1.00 1.03 H new ATOM 0 HE ARG B 6 6.384 -13.568 -1.949 1.00 0.88 H new ATOM 0 HH11 ARG B 6 4.369 -15.440 -4.140 1.00 1.26 H new ATOM 0 HH12 ARG B 6 4.906 -16.992 -3.489 1.00 1.26 H new ATOM 0 HH21 ARG B 6 7.054 -15.555 -1.138 1.00 1.43 H new ATOM 0 HH22 ARG B 6 6.408 -17.055 -1.810 1.00 1.43 H new ATOM 80 N ARG B 7 3.068 -9.106 -1.196 1.00 0.61 N ATOM 81 CA ARG B 7 1.703 -8.752 -0.750 1.00 0.80 C ATOM 82 C ARG B 7 1.312 -7.404 -1.355 1.00 0.65 C ATOM 83 O ARG B 7 0.167 -7.161 -1.672 1.00 0.56 O ATOM 84 CB ARG B 7 1.789 -8.667 0.775 1.00 1.16 C ATOM 85 CG ARG B 7 0.526 -8.003 1.340 1.00 1.10 C ATOM 86 CD ARG B 7 0.794 -7.547 2.773 1.00 0.92 C ATOM 87 NE ARG B 7 -0.220 -6.489 3.050 1.00 0.41 N ATOM 88 CZ ARG B 7 -1.471 -6.809 3.269 1.00 0.93 C ATOM 89 NH1 ARG B 7 -1.856 -8.061 3.248 1.00 1.61 N ATOM 90 NH2 ARG B 7 -2.344 -5.870 3.511 1.00 1.08 N ATOM 0 H ARG B 7 3.746 -9.257 -0.449 1.00 0.61 H new ATOM 0 HA ARG B 7 0.951 -9.477 -1.061 1.00 0.80 H new ATOM 0 HB2 ARG B 7 1.903 -9.666 1.196 1.00 1.16 H new ATOM 0 HB3 ARG B 7 2.670 -8.095 1.066 1.00 1.16 H new ATOM 0 HG2 ARG B 7 0.242 -7.151 0.722 1.00 1.10 H new ATOM 0 HG3 ARG B 7 -0.308 -8.704 1.319 1.00 1.10 H new ATOM 0 HD2 ARG B 7 0.697 -8.376 3.473 1.00 0.92 H new ATOM 0 HD3 ARG B 7 1.807 -7.157 2.878 1.00 0.92 H new ATOM 0 HE ARG B 7 0.063 -5.509 3.069 1.00 0.41 H new ATOM 0 HH11 ARG B 7 -1.178 -8.800 3.060 1.00 1.61 H new ATOM 0 HH12 ARG B 7 -2.833 -8.297 3.420 1.00 1.61 H new ATOM 0 HH21 ARG B 7 -2.051 -4.893 3.529 1.00 1.08 H new ATOM 0 HH22 ARG B 7 -3.320 -6.113 3.682 1.00 1.08 H new ATOM 104 N ARG B 8 2.269 -6.533 -1.522 1.00 0.68 N ATOM 105 CA ARG B 8 1.973 -5.200 -2.118 1.00 0.67 C ATOM 106 C ARG B 8 1.280 -5.398 -3.452 1.00 0.48 C ATOM 107 O ARG B 8 0.362 -4.679 -3.797 1.00 0.50 O ATOM 108 CB ARG B 8 3.339 -4.534 -2.297 1.00 0.77 C ATOM 109 CG ARG B 8 3.223 -3.035 -2.020 1.00 0.73 C ATOM 110 CD ARG B 8 3.110 -2.799 -0.511 1.00 0.73 C ATOM 111 NE ARG B 8 4.313 -3.460 0.080 1.00 0.85 N ATOM 112 CZ ARG B 8 5.506 -2.938 -0.067 1.00 1.05 C ATOM 113 NH1 ARG B 8 5.671 -1.826 -0.731 1.00 1.43 N ATOM 114 NH2 ARG B 8 6.541 -3.536 0.458 1.00 1.16 N ATOM 0 H ARG B 8 3.245 -6.688 -1.271 1.00 0.68 H new ATOM 0 HA ARG B 8 1.316 -4.589 -1.500 1.00 0.67 H new ATOM 0 HB2 ARG B 8 4.065 -4.984 -1.619 1.00 0.77 H new ATOM 0 HB3 ARG B 8 3.704 -4.699 -3.311 1.00 0.77 H new ATOM 0 HG2 ARG B 8 4.094 -2.513 -2.416 1.00 0.73 H new ATOM 0 HG3 ARG B 8 2.349 -2.627 -2.529 1.00 0.73 H new ATOM 0 HD2 ARG B 8 3.092 -1.734 -0.279 1.00 0.73 H new ATOM 0 HD3 ARG B 8 2.190 -3.227 -0.113 1.00 0.73 H new ATOM 0 HE ARG B 8 4.204 -4.328 0.604 1.00 0.85 H new ATOM 0 HH11 ARG B 8 4.866 -1.353 -1.142 1.00 1.43 H new ATOM 0 HH12 ARG B 8 6.605 -1.430 -0.838 1.00 1.43 H new ATOM 0 HH21 ARG B 8 6.418 -4.404 0.979 1.00 1.16 H new ATOM 0 HH22 ARG B 8 7.472 -3.135 0.347 1.00 1.16 H new ATOM 128 N GLU B 9 1.671 -6.401 -4.183 1.00 0.38 N ATOM 129 CA GLU B 9 0.973 -6.666 -5.468 1.00 0.34 C ATOM 130 C GLU B 9 -0.463 -7.027 -5.128 1.00 0.31 C ATOM 131 O GLU B 9 -1.395 -6.680 -5.826 1.00 0.34 O ATOM 132 CB GLU B 9 1.710 -7.842 -6.112 1.00 0.40 C ATOM 133 CG GLU B 9 3.150 -7.434 -6.437 1.00 0.59 C ATOM 134 CD GLU B 9 3.340 -7.378 -7.955 1.00 1.24 C ATOM 135 OE1 GLU B 9 2.992 -6.365 -8.538 1.00 1.88 O ATOM 136 OE2 GLU B 9 3.832 -8.349 -8.505 1.00 1.73 O ATOM 0 H GLU B 9 2.432 -7.040 -3.952 1.00 0.38 H new ATOM 0 HA GLU B 9 0.967 -5.817 -6.152 1.00 0.34 H new ATOM 0 HB2 GLU B 9 1.708 -8.698 -5.437 1.00 0.40 H new ATOM 0 HB3 GLU B 9 1.196 -8.152 -7.022 1.00 0.40 H new ATOM 0 HG2 GLU B 9 3.371 -6.461 -5.997 1.00 0.59 H new ATOM 0 HG3 GLU B 9 3.848 -8.148 -5.999 1.00 0.59 H new ATOM 143 N ARG B 10 -0.638 -7.678 -4.014 1.00 0.31 N ATOM 144 CA ARG B 10 -2.001 -8.022 -3.555 1.00 0.38 C ATOM 145 C ARG B 10 -2.655 -6.756 -3.010 1.00 0.35 C ATOM 146 O ARG B 10 -3.857 -6.687 -2.850 1.00 0.40 O ATOM 147 CB ARG B 10 -1.804 -9.050 -2.439 1.00 0.46 C ATOM 148 CG ARG B 10 -2.289 -10.425 -2.904 1.00 0.73 C ATOM 149 CD ARG B 10 -1.642 -11.507 -2.035 1.00 0.67 C ATOM 150 NE ARG B 10 -2.648 -12.608 -1.964 1.00 1.55 N ATOM 151 CZ ARG B 10 -2.361 -13.734 -1.355 1.00 2.12 C ATOM 152 NH1 ARG B 10 -1.190 -13.914 -0.800 1.00 3.14 N ATOM 153 NH2 ARG B 10 -3.254 -14.684 -1.302 1.00 2.20 N ATOM 0 H ARG B 10 0.115 -7.987 -3.399 1.00 0.31 H new ATOM 0 HA ARG B 10 -2.635 -8.420 -4.347 1.00 0.38 H new ATOM 0 HB2 ARG B 10 -0.751 -9.101 -2.162 1.00 0.46 H new ATOM 0 HB3 ARG B 10 -2.353 -8.743 -1.549 1.00 0.46 H new ATOM 0 HG2 ARG B 10 -3.375 -10.485 -2.832 1.00 0.73 H new ATOM 0 HG3 ARG B 10 -2.030 -10.580 -3.951 1.00 0.73 H new ATOM 0 HD2 ARG B 10 -0.707 -11.856 -2.473 1.00 0.67 H new ATOM 0 HD3 ARG B 10 -1.406 -11.125 -1.042 1.00 0.67 H new ATOM 0 HE ARG B 10 -3.565 -12.484 -2.392 1.00 1.55 H new ATOM 0 HH11 ARG B 10 -0.489 -13.174 -0.838 1.00 3.14 H new ATOM 0 HH12 ARG B 10 -0.979 -14.794 -0.329 1.00 3.14 H new ATOM 0 HH21 ARG B 10 -4.169 -14.549 -1.733 1.00 2.20 H new ATOM 0 HH22 ARG B 10 -3.037 -15.562 -0.830 1.00 2.20 H new ATOM 167 N ARG B 11 -1.867 -5.743 -2.736 1.00 0.29 N ATOM 168 CA ARG B 11 -2.450 -4.483 -2.220 1.00 0.29 C ATOM 169 C ARG B 11 -2.727 -3.527 -3.372 1.00 0.24 C ATOM 170 O ARG B 11 -3.190 -2.428 -3.161 1.00 0.25 O ATOM 171 CB ARG B 11 -1.404 -3.882 -1.285 1.00 0.32 C ATOM 172 CG ARG B 11 -1.197 -4.791 -0.065 1.00 0.41 C ATOM 173 CD ARG B 11 -2.530 -5.009 0.662 1.00 0.55 C ATOM 174 NE ARG B 11 -2.662 -6.492 0.775 1.00 1.59 N ATOM 175 CZ ARG B 11 -3.749 -7.035 1.267 1.00 2.18 C ATOM 176 NH1 ARG B 11 -4.745 -6.288 1.672 1.00 1.76 N ATOM 177 NH2 ARG B 11 -3.840 -8.333 1.354 1.00 3.24 N ATOM 0 H ARG B 11 -0.853 -5.742 -2.849 1.00 0.29 H new ATOM 0 HA ARG B 11 -3.392 -4.663 -1.703 1.00 0.29 H new ATOM 0 HB2 ARG B 11 -0.461 -3.755 -1.817 1.00 0.32 H new ATOM 0 HB3 ARG B 11 -1.723 -2.892 -0.960 1.00 0.32 H new ATOM 0 HG2 ARG B 11 -0.785 -5.749 -0.381 1.00 0.41 H new ATOM 0 HG3 ARG B 11 -0.473 -4.342 0.614 1.00 0.41 H new ATOM 0 HD2 ARG B 11 -2.528 -4.536 1.644 1.00 0.55 H new ATOM 0 HD3 ARG B 11 -3.361 -4.579 0.103 1.00 0.55 H new ATOM 0 HE ARG B 11 -1.896 -7.090 0.465 1.00 1.59 H new ATOM 0 HH11 ARG B 11 -4.680 -5.272 1.606 1.00 1.76 H new ATOM 0 HH12 ARG B 11 -5.586 -6.722 2.053 1.00 1.76 H new ATOM 0 HH21 ARG B 11 -3.068 -8.921 1.040 1.00 3.24 H new ATOM 0 HH22 ARG B 11 -4.684 -8.761 1.736 1.00 3.24 H new ATOM 191 N ALA B 12 -2.475 -3.932 -4.594 1.00 0.24 N ATOM 192 CA ALA B 12 -2.769 -3.015 -5.737 1.00 0.28 C ATOM 193 C ALA B 12 -4.233 -2.589 -5.638 1.00 0.31 C ATOM 194 O ALA B 12 -4.615 -1.519 -6.066 1.00 0.33 O ATOM 195 CB ALA B 12 -2.521 -3.841 -6.999 1.00 0.34 C ATOM 0 H ALA B 12 -2.086 -4.841 -4.845 1.00 0.24 H new ATOM 0 HA ALA B 12 -2.153 -2.116 -5.741 1.00 0.28 H new ATOM 0 HB1 ALA B 12 -2.718 -3.229 -7.879 1.00 0.34 H new ATOM 0 HB2 ALA B 12 -1.484 -4.177 -7.016 1.00 0.34 H new ATOM 0 HB3 ALA B 12 -3.183 -4.707 -7.003 1.00 0.34 H new ATOM 201 N GLU B 13 -5.045 -3.417 -5.031 1.00 0.34 N ATOM 202 CA GLU B 13 -6.473 -3.059 -4.850 1.00 0.41 C ATOM 203 C GLU B 13 -6.570 -2.042 -3.718 1.00 0.38 C ATOM 204 O GLU B 13 -7.390 -1.147 -3.743 1.00 0.42 O ATOM 205 CB GLU B 13 -7.180 -4.363 -4.480 1.00 0.48 C ATOM 206 CG GLU B 13 -7.425 -5.189 -5.744 1.00 0.52 C ATOM 207 CD GLU B 13 -8.698 -6.021 -5.572 1.00 0.77 C ATOM 208 OE1 GLU B 13 -9.757 -5.429 -5.449 1.00 1.15 O ATOM 209 OE2 GLU B 13 -8.592 -7.237 -5.568 1.00 1.18 O ATOM 0 H GLU B 13 -4.775 -4.326 -4.654 1.00 0.34 H new ATOM 0 HA GLU B 13 -6.923 -2.618 -5.739 1.00 0.41 H new ATOM 0 HB2 GLU B 13 -6.573 -4.930 -3.774 1.00 0.48 H new ATOM 0 HB3 GLU B 13 -8.127 -4.148 -3.985 1.00 0.48 H new ATOM 0 HG2 GLU B 13 -7.522 -4.531 -6.608 1.00 0.52 H new ATOM 0 HG3 GLU B 13 -6.574 -5.843 -5.935 1.00 0.52 H new ATOM 216 N LYS B 14 -5.703 -2.147 -2.740 1.00 0.33 N ATOM 217 CA LYS B 14 -5.716 -1.158 -1.632 1.00 0.33 C ATOM 218 C LYS B 14 -5.019 0.102 -2.137 1.00 0.28 C ATOM 219 O LYS B 14 -5.397 1.216 -1.837 1.00 0.30 O ATOM 220 CB LYS B 14 -4.909 -1.812 -0.506 1.00 0.31 C ATOM 221 CG LYS B 14 -5.579 -3.120 -0.080 1.00 0.38 C ATOM 222 CD LYS B 14 -6.925 -2.817 0.577 1.00 1.23 C ATOM 223 CE LYS B 14 -7.439 -4.068 1.296 1.00 1.37 C ATOM 224 NZ LYS B 14 -8.865 -4.190 0.885 1.00 1.83 N ATOM 0 H LYS B 14 -4.992 -2.874 -2.666 1.00 0.33 H new ATOM 0 HA LYS B 14 -6.715 -0.889 -1.288 1.00 0.33 H new ATOM 0 HB2 LYS B 14 -3.891 -2.007 -0.842 1.00 0.31 H new ATOM 0 HB3 LYS B 14 -4.840 -1.134 0.345 1.00 0.31 H new ATOM 0 HG2 LYS B 14 -5.723 -3.765 -0.946 1.00 0.38 H new ATOM 0 HG3 LYS B 14 -4.937 -3.659 0.616 1.00 0.38 H new ATOM 0 HD2 LYS B 14 -6.818 -1.996 1.286 1.00 1.23 H new ATOM 0 HD3 LYS B 14 -7.645 -2.497 -0.176 1.00 1.23 H new ATOM 0 HE2 LYS B 14 -6.868 -4.951 1.008 1.00 1.37 H new ATOM 0 HE3 LYS B 14 -7.347 -3.967 2.377 1.00 1.37 H new ATOM 0 HZ1 LYS B 14 -9.287 -5.026 1.338 1.00 1.83 H new ATOM 0 HZ2 LYS B 14 -9.385 -3.338 1.178 1.00 1.83 H new ATOM 0 HZ3 LYS B 14 -8.921 -4.291 -0.149 1.00 1.83 H new ATOM 238 N GLN B 15 -4.007 -0.100 -2.929 1.00 0.25 N ATOM 239 CA GLN B 15 -3.244 1.024 -3.520 1.00 0.24 C ATOM 240 C GLN B 15 -4.095 1.729 -4.567 1.00 0.28 C ATOM 241 O GLN B 15 -4.238 2.929 -4.553 1.00 0.28 O ATOM 242 CB GLN B 15 -2.038 0.341 -4.177 1.00 0.24 C ATOM 243 CG GLN B 15 -0.779 0.632 -3.367 1.00 0.25 C ATOM 244 CD GLN B 15 0.206 -0.522 -3.540 1.00 0.30 C ATOM 245 OE1 GLN B 15 -0.089 -1.688 -3.034 1.00 0.35 O flip ATOM 246 NE2 GLN B 15 1.252 -0.364 -4.139 1.00 0.33 N flip ATOM 0 H GLN B 15 -3.670 -1.025 -3.197 1.00 0.25 H new ATOM 0 HA GLN B 15 -2.951 1.778 -2.790 1.00 0.24 H new ATOM 0 HB2 GLN B 15 -2.204 -0.735 -4.235 1.00 0.24 H new ATOM 0 HB3 GLN B 15 -1.916 0.701 -5.199 1.00 0.24 H new ATOM 0 HG2 GLN B 15 -0.326 1.566 -3.699 1.00 0.25 H new ATOM 0 HG3 GLN B 15 -1.030 0.757 -2.314 1.00 0.25 H new ATOM 0 HE21 GLN B 15 1.481 0.548 -4.534 1.00 0.33 H new ATOM 0 HE22 GLN B 15 1.901 -1.144 -4.247 1.00 0.33 H new ATOM 255 N ALA B 16 -4.667 0.992 -5.471 1.00 0.35 N ATOM 256 CA ALA B 16 -5.518 1.632 -6.514 1.00 0.41 C ATOM 257 C ALA B 16 -6.750 2.247 -5.856 1.00 0.40 C ATOM 258 O ALA B 16 -7.317 3.201 -6.353 1.00 0.43 O ATOM 259 CB ALA B 16 -5.913 0.504 -7.468 1.00 0.48 C ATOM 0 H ALA B 16 -4.585 -0.023 -5.536 1.00 0.35 H new ATOM 0 HA ALA B 16 -5.001 2.431 -7.044 1.00 0.41 H new ATOM 0 HB1 ALA B 16 -6.542 0.904 -8.263 1.00 0.48 H new ATOM 0 HB2 ALA B 16 -5.015 0.064 -7.902 1.00 0.48 H new ATOM 0 HB3 ALA B 16 -6.463 -0.260 -6.920 1.00 0.48 H new ATOM 265 N GLN B 17 -7.153 1.732 -4.723 1.00 0.40 N ATOM 266 CA GLN B 17 -8.327 2.324 -4.028 1.00 0.42 C ATOM 267 C GLN B 17 -7.856 3.563 -3.287 1.00 0.37 C ATOM 268 O GLN B 17 -8.532 4.570 -3.224 1.00 0.40 O ATOM 269 CB GLN B 17 -8.801 1.251 -3.047 1.00 0.45 C ATOM 270 CG GLN B 17 -9.701 0.250 -3.769 1.00 0.53 C ATOM 271 CD GLN B 17 -9.993 -0.937 -2.848 1.00 0.66 C ATOM 272 OE1 GLN B 17 -9.693 -0.897 -1.671 1.00 1.06 O ATOM 273 NE2 GLN B 17 -10.569 -2.001 -3.336 1.00 1.33 N ATOM 0 H GLN B 17 -6.722 0.934 -4.255 1.00 0.40 H new ATOM 0 HA GLN B 17 -9.132 2.613 -4.703 1.00 0.42 H new ATOM 0 HB2 GLN B 17 -7.943 0.736 -2.615 1.00 0.45 H new ATOM 0 HB3 GLN B 17 -9.344 1.713 -2.223 1.00 0.45 H new ATOM 0 HG2 GLN B 17 -10.633 0.731 -4.065 1.00 0.53 H new ATOM 0 HG3 GLN B 17 -9.217 -0.096 -4.682 1.00 0.53 H new ATOM 0 HE21 GLN B 17 -10.822 -2.037 -4.324 1.00 1.33 H new ATOM 0 HE22 GLN B 17 -10.767 -2.797 -2.730 1.00 1.33 H new ATOM 282 N TRP B 18 -6.673 3.490 -2.754 1.00 0.32 N ATOM 283 CA TRP B 18 -6.096 4.651 -2.038 1.00 0.30 C ATOM 284 C TRP B 18 -5.598 5.663 -3.063 1.00 0.31 C ATOM 285 O TRP B 18 -5.830 6.851 -2.962 1.00 0.35 O ATOM 286 CB TRP B 18 -4.905 4.080 -1.275 1.00 0.25 C ATOM 287 CG TRP B 18 -4.130 5.208 -0.682 1.00 0.24 C ATOM 288 CD1 TRP B 18 -4.230 5.677 0.578 1.00 0.30 C ATOM 289 CD2 TRP B 18 -3.138 6.019 -1.338 1.00 0.24 C ATOM 290 NE1 TRP B 18 -3.355 6.743 0.721 1.00 0.31 N ATOM 291 CE2 TRP B 18 -2.654 6.981 -0.435 1.00 0.29 C ATOM 292 CE3 TRP B 18 -2.619 5.999 -2.623 1.00 0.28 C ATOM 293 CZ2 TRP B 18 -1.678 7.899 -0.810 1.00 0.34 C ATOM 294 CZ3 TRP B 18 -1.647 6.905 -3.007 1.00 0.36 C ATOM 295 CH2 TRP B 18 -1.173 7.855 -2.110 1.00 0.38 C ATOM 0 H TRP B 18 -6.075 2.664 -2.785 1.00 0.32 H new ATOM 0 HA TRP B 18 -6.813 5.145 -1.383 1.00 0.30 H new ATOM 0 HB2 TRP B 18 -5.247 3.404 -0.491 1.00 0.25 H new ATOM 0 HB3 TRP B 18 -4.272 3.497 -1.944 1.00 0.25 H new ATOM 0 HD1 TRP B 18 -4.882 5.288 1.346 1.00 0.30 H new ATOM 0 HE1 TRP B 18 -3.246 7.284 1.579 1.00 0.31 H new ATOM 0 HE3 TRP B 18 -2.978 5.268 -3.332 1.00 0.28 H new ATOM 0 HZ2 TRP B 18 -1.317 8.634 -0.106 1.00 0.34 H new ATOM 0 HZ3 TRP B 18 -1.253 6.874 -4.012 1.00 0.36 H new ATOM 0 HH2 TRP B 18 -0.414 8.559 -2.419 1.00 0.38 H new ATOM 306 N LYS B 19 -4.904 5.176 -4.047 1.00 0.30 N ATOM 307 CA LYS B 19 -4.358 6.063 -5.105 1.00 0.37 C ATOM 308 C LYS B 19 -5.510 6.777 -5.775 1.00 0.46 C ATOM 309 O LYS B 19 -5.410 7.926 -6.161 1.00 0.70 O ATOM 310 CB LYS B 19 -3.651 5.135 -6.097 1.00 0.40 C ATOM 311 CG LYS B 19 -2.317 4.649 -5.518 1.00 0.49 C ATOM 312 CD LYS B 19 -1.643 3.703 -6.513 1.00 0.96 C ATOM 313 CE LYS B 19 -0.252 3.326 -5.999 1.00 1.30 C ATOM 314 NZ LYS B 19 0.597 3.231 -7.218 1.00 1.92 N ATOM 0 H LYS B 19 -4.688 4.186 -4.165 1.00 0.30 H new ATOM 0 HA LYS B 19 -3.671 6.815 -4.716 1.00 0.37 H new ATOM 0 HB2 LYS B 19 -4.289 4.281 -6.323 1.00 0.40 H new ATOM 0 HB3 LYS B 19 -3.477 5.661 -7.036 1.00 0.40 H new ATOM 0 HG2 LYS B 19 -1.667 5.499 -5.311 1.00 0.49 H new ATOM 0 HG3 LYS B 19 -2.485 4.138 -4.570 1.00 0.49 H new ATOM 0 HD2 LYS B 19 -2.248 2.806 -6.645 1.00 0.96 H new ATOM 0 HD3 LYS B 19 -1.564 4.181 -7.489 1.00 0.96 H new ATOM 0 HE2 LYS B 19 0.131 4.078 -5.309 1.00 1.30 H new ATOM 0 HE3 LYS B 19 -0.274 2.380 -5.459 1.00 1.30 H new ATOM 0 HZ1 LYS B 19 1.599 3.195 -6.941 1.00 1.92 H new ATOM 0 HZ2 LYS B 19 0.352 2.368 -7.745 1.00 1.92 H new ATOM 0 HZ3 LYS B 19 0.434 4.063 -7.820 1.00 1.92 H new ATOM 328 N ALA B 20 -6.617 6.104 -5.903 1.00 0.44 N ATOM 329 CA ALA B 20 -7.785 6.752 -6.535 1.00 0.52 C ATOM 330 C ALA B 20 -8.210 7.967 -5.711 1.00 0.56 C ATOM 331 O ALA B 20 -8.739 8.930 -6.231 1.00 0.74 O ATOM 332 CB ALA B 20 -8.886 5.701 -6.534 1.00 0.55 C ATOM 0 H ALA B 20 -6.759 5.141 -5.598 1.00 0.44 H new ATOM 0 HA ALA B 20 -7.565 7.100 -7.544 1.00 0.52 H new ATOM 0 HB1 ALA B 20 -9.785 6.115 -6.990 1.00 0.55 H new ATOM 0 HB2 ALA B 20 -8.559 4.831 -7.103 1.00 0.55 H new ATOM 0 HB3 ALA B 20 -9.104 5.403 -5.508 1.00 0.55 H new ATOM 338 N ALA B 21 -7.984 7.924 -4.423 1.00 0.54 N ATOM 339 CA ALA B 21 -8.377 9.074 -3.560 1.00 0.66 C ATOM 340 C ALA B 21 -7.155 9.674 -2.877 1.00 0.73 C ATOM 341 O ALA B 21 -7.246 10.281 -1.829 1.00 0.99 O ATOM 342 CB ALA B 21 -9.343 8.491 -2.532 1.00 0.71 C ATOM 0 H ALA B 21 -7.545 7.144 -3.934 1.00 0.54 H new ATOM 0 HA ALA B 21 -8.836 9.878 -4.135 1.00 0.66 H new ATOM 0 HB1 ALA B 21 -9.677 9.280 -1.858 1.00 0.71 H new ATOM 0 HB2 ALA B 21 -10.204 8.062 -3.044 1.00 0.71 H new ATOM 0 HB3 ALA B 21 -8.838 7.714 -1.958 1.00 0.71 H new ATOM 348 N ASN B 22 -6.022 9.527 -3.487 1.00 0.73 N ATOM 349 CA ASN B 22 -4.768 10.103 -2.912 1.00 0.88 C ATOM 350 C ASN B 22 -3.733 10.349 -4.014 1.00 1.08 C ATOM 351 O ASN B 22 -2.598 9.932 -3.900 1.00 0.00 O ATOM 352 CB ASN B 22 -4.239 9.076 -1.916 1.00 0.93 C ATOM 353 CG ASN B 22 -5.219 8.922 -0.757 1.00 0.94 C ATOM 354 OD1 ASN B 22 -5.490 9.865 -0.041 1.00 1.13 O ATOM 355 ND2 ASN B 22 -5.760 7.762 -0.546 1.00 0.94 N ATOM 0 H ASN B 22 -5.901 9.029 -4.369 1.00 0.73 H new ATOM 0 HA ASN B 22 -4.964 11.061 -2.431 1.00 0.88 H new ATOM 0 HB2 ASN B 22 -4.096 8.116 -2.412 1.00 0.93 H new ATOM 0 HB3 ASN B 22 -3.265 9.389 -1.540 1.00 0.93 H new ATOM 0 HD21 ASN B 22 -6.417 7.638 0.224 1.00 0.94 H new ATOM 0 HD22 ASN B 22 -5.529 6.974 -1.151 1.00 0.94 H new ATOM 362 N PRO B 23 -4.153 11.048 -5.033 1.00 0.00 N ATOM 363 CA PRO B 23 -3.245 11.384 -6.146 1.00 0.00 C ATOM 364 C PRO B 23 -2.240 12.402 -5.627 1.00 0.00 C ATOM 365 O PRO B 23 -1.104 12.450 -6.047 1.00 0.00 O ATOM 366 CB PRO B 23 -4.168 11.982 -7.205 1.00 0.00 C ATOM 367 CG PRO B 23 -5.348 12.483 -6.439 1.00 0.00 C ATOM 368 CD PRO B 23 -5.487 11.591 -5.232 1.00 0.00 C ATOM 0 HA PRO B 23 -2.681 10.544 -6.551 1.00 0.00 H new ATOM 0 HB2 PRO B 23 -3.677 12.789 -7.748 1.00 0.00 H new ATOM 0 HB3 PRO B 23 -4.462 11.235 -7.942 1.00 0.00 H new ATOM 0 HG2 PRO B 23 -5.203 13.521 -6.139 1.00 0.00 H new ATOM 0 HG3 PRO B 23 -6.250 12.451 -7.051 1.00 0.00 H new ATOM 0 HD2 PRO B 23 -5.823 12.151 -4.359 1.00 0.00 H new ATOM 0 HD3 PRO B 23 -6.217 10.800 -5.403 1.00 0.00 H new ATOM 376 N LEU B 24 -2.657 13.197 -4.678 1.00 0.00 N ATOM 377 CA LEU B 24 -1.728 14.199 -4.077 1.00 0.00 C ATOM 378 C LEU B 24 -0.499 13.467 -3.539 1.00 0.00 C ATOM 379 O LEU B 24 0.610 13.964 -3.575 1.00 0.00 O ATOM 380 CB LEU B 24 -2.540 14.866 -2.947 1.00 0.00 C ATOM 381 CG LEU B 24 -2.376 14.108 -1.609 1.00 0.00 C ATOM 382 CD1 LEU B 24 -2.915 14.977 -0.472 1.00 0.00 C ATOM 383 CD2 LEU B 24 -3.155 12.779 -1.641 1.00 0.00 C ATOM 0 H LEU B 24 -3.601 13.196 -4.292 1.00 0.00 H new ATOM 0 HA LEU B 24 -1.370 14.946 -4.786 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -2.214 15.899 -2.824 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -3.594 14.895 -3.223 1.00 0.00 H new ATOM 0 HG LEU B 24 -1.319 13.893 -1.453 1.00 0.00 H new ATOM 0 HD11 LEU B 24 -2.802 14.448 0.475 1.00 0.00 H new ATOM 0 HD12 LEU B 24 -2.357 15.913 -0.434 1.00 0.00 H new ATOM 0 HD13 LEU B 24 -3.970 15.190 -0.645 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -3.028 12.260 -0.691 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -4.213 12.982 -1.805 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -2.776 12.154 -2.450 1.00 0.00 H new ATOM 395 N LEU B 25 -0.698 12.264 -3.082 1.00 0.00 N ATOM 396 CA LEU B 25 0.436 11.445 -2.585 1.00 0.00 C ATOM 397 C LEU B 25 0.780 10.445 -3.679 1.00 0.00 C ATOM 398 O LEU B 25 1.226 9.341 -3.439 1.00 0.00 O ATOM 399 CB LEU B 25 -0.101 10.740 -1.338 1.00 0.00 C ATOM 400 CG LEU B 25 0.156 11.611 -0.105 1.00 0.00 C ATOM 401 CD1 LEU B 25 -0.927 11.343 0.944 1.00 0.00 C ATOM 402 CD2 LEU B 25 1.531 11.274 0.483 1.00 0.00 C ATOM 0 H LEU B 25 -1.610 11.809 -3.032 1.00 0.00 H new ATOM 0 HA LEU B 25 1.333 12.016 -2.344 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -1.169 10.551 -1.446 1.00 0.00 H new ATOM 0 HB3 LEU B 25 0.384 9.771 -1.219 1.00 0.00 H new ATOM 0 HG LEU B 25 0.132 12.662 -0.392 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -0.745 11.963 1.822 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -1.905 11.583 0.527 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -0.903 10.292 1.231 1.00 0.00 H new ATOM 0 HD21 LEU B 25 1.713 11.894 1.361 1.00 0.00 H new ATOM 0 HD22 LEU B 25 1.556 10.223 0.770 1.00 0.00 H new ATOM 0 HD23 LEU B 25 2.302 11.465 -0.263 1.00 0.00 H new ATOM 414 N VAL B 26 0.538 10.852 -4.887 1.00 0.00 N ATOM 415 CA VAL B 26 0.788 9.987 -6.061 1.00 0.00 C ATOM 416 C VAL B 26 1.183 10.872 -7.245 1.00 0.00 C ATOM 417 O VAL B 26 0.467 11.781 -7.609 1.00 0.00 O ATOM 418 CB VAL B 26 -0.567 9.296 -6.289 1.00 0.00 C ATOM 419 CG1 VAL B 26 -0.997 9.419 -7.752 1.00 0.00 C ATOM 420 CG2 VAL B 26 -0.439 7.823 -5.914 1.00 0.00 C ATOM 0 H VAL B 26 0.167 11.775 -5.114 1.00 0.00 H new ATOM 0 HA VAL B 26 1.592 9.262 -5.930 1.00 0.00 H new ATOM 0 HB VAL B 26 -1.322 9.778 -5.668 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -1.958 8.924 -7.892 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -1.090 10.472 -8.017 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -0.250 8.949 -8.392 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -1.395 7.323 -6.072 1.00 0.00 H new ATOM 0 HG22 VAL B 26 0.323 7.354 -6.536 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -0.154 7.738 -4.865 1.00 0.00 H new ATOM 430 N GLY B 27 2.319 10.639 -7.834 1.00 0.00 N ATOM 431 CA GLY B 27 2.746 11.511 -8.968 1.00 0.00 C ATOM 432 C GLY B 27 3.176 12.856 -8.378 1.00 0.00 C ATOM 433 O GLY B 27 4.311 13.270 -8.513 1.00 0.00 O ATOM 0 H GLY B 27 2.967 9.892 -7.586 1.00 0.00 H new ATOM 0 HA2 GLY B 27 3.569 11.052 -9.516 1.00 0.00 H new ATOM 0 HA3 GLY B 27 1.928 11.647 -9.676 1.00 0.00 H new ATOM 437 N VAL B 28 2.277 13.523 -7.691 1.00 0.00 N ATOM 438 CA VAL B 28 2.620 14.824 -7.041 1.00 0.00 C ATOM 439 C VAL B 28 3.908 14.652 -6.232 1.00 0.00 C ATOM 440 O VAL B 28 4.380 13.548 -6.038 1.00 0.00 O ATOM 441 CB VAL B 28 1.426 15.114 -6.119 1.00 0.00 C ATOM 442 CG1 VAL B 28 1.838 16.073 -4.995 1.00 0.00 C ATOM 443 CG2 VAL B 28 0.302 15.750 -6.938 1.00 0.00 C ATOM 0 H VAL B 28 1.314 13.217 -7.553 1.00 0.00 H new ATOM 0 HA VAL B 28 2.789 15.635 -7.749 1.00 0.00 H new ATOM 0 HB VAL B 28 1.085 14.178 -5.677 1.00 0.00 H new ATOM 0 HG11 VAL B 28 0.981 16.268 -4.351 1.00 0.00 H new ATOM 0 HG12 VAL B 28 2.638 15.623 -4.408 1.00 0.00 H new ATOM 0 HG13 VAL B 28 2.188 17.011 -5.427 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -0.548 15.958 -6.289 1.00 0.00 H new ATOM 0 HG22 VAL B 28 0.656 16.681 -7.381 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -0.004 15.065 -7.729 1.00 0.00 H new ATOM 453 N SER B 29 4.477 15.719 -5.746 1.00 0.00 N ATOM 454 CA SER B 29 5.721 15.579 -4.943 1.00 0.00 C ATOM 455 C SER B 29 5.372 15.257 -3.491 1.00 0.00 C ATOM 456 O SER B 29 5.957 15.795 -2.573 1.00 0.00 O ATOM 457 CB SER B 29 6.426 16.930 -5.049 1.00 0.00 C ATOM 458 OG SER B 29 7.189 16.968 -6.248 1.00 0.00 O ATOM 0 H SER B 29 4.138 16.673 -5.869 1.00 0.00 H new ATOM 0 HA SER B 29 6.357 14.770 -5.303 1.00 0.00 H new ATOM 0 HB2 SER B 29 5.693 17.737 -5.045 1.00 0.00 H new ATOM 0 HB3 SER B 29 7.074 17.084 -4.186 1.00 0.00 H new ATOM 0 HG SER B 29 7.642 17.834 -6.320 1.00 0.00 H new ATOM 464 N ALA B 30 4.421 14.374 -3.290 1.00 0.00 N ATOM 465 CA ALA B 30 3.993 13.981 -1.906 1.00 0.00 C ATOM 466 C ALA B 30 4.277 15.109 -0.910 1.00 0.00 C ATOM 467 O ALA B 30 4.881 14.908 0.124 1.00 0.00 O ATOM 468 CB ALA B 30 4.818 12.736 -1.577 1.00 0.00 C ATOM 0 H ALA B 30 3.915 13.901 -4.039 1.00 0.00 H new ATOM 0 HA ALA B 30 2.922 13.786 -1.846 1.00 0.00 H new ATOM 0 HB1 ALA B 30 4.563 12.384 -0.577 1.00 0.00 H new ATOM 0 HB2 ALA B 30 4.600 11.953 -2.303 1.00 0.00 H new ATOM 0 HB3 ALA B 30 5.879 12.982 -1.616 1.00 0.00 H new ATOM 474 N LYS B 31 3.853 16.299 -1.235 1.00 0.00 N ATOM 475 CA LYS B 31 4.102 17.459 -0.333 1.00 0.00 C ATOM 476 C LYS B 31 2.778 18.133 0.059 1.00 0.00 C ATOM 477 O LYS B 31 2.026 18.557 -0.794 1.00 0.00 O ATOM 478 CB LYS B 31 4.978 18.421 -1.148 1.00 0.00 C ATOM 479 CG LYS B 31 4.391 18.618 -2.553 1.00 0.00 C ATOM 480 CD LYS B 31 4.618 20.064 -3.000 1.00 0.00 C ATOM 481 CE LYS B 31 3.439 20.930 -2.548 1.00 0.00 C ATOM 482 NZ LYS B 31 2.361 20.657 -3.538 1.00 0.00 N ATOM 0 H LYS B 31 3.343 16.519 -2.090 1.00 0.00 H new ATOM 0 HA LYS B 31 4.585 17.156 0.596 1.00 0.00 H new ATOM 0 HB2 LYS B 31 5.047 19.382 -0.638 1.00 0.00 H new ATOM 0 HB3 LYS B 31 5.991 18.026 -1.222 1.00 0.00 H new ATOM 0 HG2 LYS B 31 4.862 17.930 -3.256 1.00 0.00 H new ATOM 0 HG3 LYS B 31 3.325 18.390 -2.549 1.00 0.00 H new ATOM 0 HD2 LYS B 31 5.547 20.445 -2.576 1.00 0.00 H new ATOM 0 HD3 LYS B 31 4.721 20.109 -4.084 1.00 0.00 H new ATOM 0 HE2 LYS B 31 3.123 20.670 -1.538 1.00 0.00 H new ATOM 0 HE3 LYS B 31 3.706 21.987 -2.537 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 2.191 21.509 -4.110 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 2.650 19.875 -4.160 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 1.488 20.396 -3.037 1.00 0.00 H new ATOM 496 N PRO B 32 2.537 18.213 1.346 1.00 0.00 N ATOM 497 CA PRO B 32 1.293 18.847 1.843 1.00 0.00 C ATOM 498 C PRO B 32 1.393 20.370 1.726 1.00 0.00 C ATOM 499 O PRO B 32 2.287 20.896 1.094 1.00 0.00 O ATOM 500 CB PRO B 32 1.230 18.420 3.306 1.00 0.00 C ATOM 501 CG PRO B 32 2.647 18.140 3.694 1.00 0.00 C ATOM 502 CD PRO B 32 3.384 17.728 2.444 1.00 0.00 C ATOM 0 HA PRO B 32 0.407 18.552 1.281 1.00 0.00 H new ATOM 0 HB2 PRO B 32 0.799 19.205 3.927 1.00 0.00 H new ATOM 0 HB3 PRO B 32 0.605 17.536 3.432 1.00 0.00 H new ATOM 0 HG2 PRO B 32 3.106 19.024 4.136 1.00 0.00 H new ATOM 0 HG3 PRO B 32 2.691 17.350 4.443 1.00 0.00 H new ATOM 0 HD2 PRO B 32 4.379 18.172 2.405 1.00 0.00 H new ATOM 0 HD3 PRO B 32 3.515 16.647 2.398 1.00 0.00 H new ATOM 510 N VAL B 33 0.482 21.080 2.333 1.00 0.00 N ATOM 511 CA VAL B 33 0.523 22.571 2.261 1.00 0.00 C ATOM 512 C VAL B 33 1.682 23.110 3.106 1.00 0.00 C ATOM 513 O VAL B 33 2.381 22.366 3.765 1.00 0.00 O ATOM 514 CB VAL B 33 -0.820 23.041 2.826 1.00 0.00 C ATOM 515 CG1 VAL B 33 -1.959 22.491 1.964 1.00 0.00 C ATOM 516 CG2 VAL B 33 -0.983 22.539 4.265 1.00 0.00 C ATOM 0 H VAL B 33 -0.290 20.693 2.876 1.00 0.00 H new ATOM 0 HA VAL B 33 0.679 22.928 1.243 1.00 0.00 H new ATOM 0 HB VAL B 33 -0.849 24.131 2.819 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -2.915 22.826 2.367 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -1.849 22.853 0.942 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -1.925 21.402 1.969 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -1.940 22.877 4.662 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -0.949 21.450 4.276 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -0.175 22.933 4.882 1.00 0.00 H new ATOM 526 N ASN B 34 1.885 24.400 3.092 1.00 0.00 N ATOM 527 CA ASN B 34 2.993 24.993 3.896 1.00 0.00 C ATOM 528 C ASN B 34 2.525 26.292 4.559 1.00 0.00 C ATOM 529 O ASN B 34 3.019 27.364 4.264 1.00 0.00 O ATOM 530 CB ASN B 34 4.114 25.271 2.890 1.00 0.00 C ATOM 531 CG ASN B 34 3.602 26.202 1.788 1.00 0.00 C ATOM 532 OD1 ASN B 34 3.884 27.384 1.795 1.00 0.00 O ATOM 533 ND2 ASN B 34 2.855 25.715 0.835 1.00 0.00 N ATOM 0 H ASN B 34 1.331 25.070 2.558 1.00 0.00 H new ATOM 0 HA ASN B 34 3.325 24.330 4.696 1.00 0.00 H new ATOM 0 HB2 ASN B 34 4.965 25.726 3.397 1.00 0.00 H new ATOM 0 HB3 ASN B 34 4.465 24.335 2.455 1.00 0.00 H new ATOM 0 HD21 ASN B 34 2.508 26.327 0.096 1.00 0.00 H new ATOM 0 HD22 ASN B 34 2.618 24.723 0.829 1.00 0.00 H new ATOM 540 N ARG B 35 1.573 26.202 5.449 1.00 0.00 N ATOM 541 CA ARG B 35 1.067 27.429 6.132 1.00 0.00 C ATOM 542 C ARG B 35 0.990 27.196 7.647 1.00 0.00 C ATOM 543 O ARG B 35 -0.064 27.325 8.239 1.00 0.00 O ATOM 544 CB ARG B 35 -0.328 27.657 5.550 1.00 0.00 C ATOM 545 CG ARG B 35 -0.205 28.147 4.106 1.00 0.00 C ATOM 546 CD ARG B 35 -1.441 27.716 3.313 1.00 0.00 C ATOM 547 NE ARG B 35 -1.763 28.882 2.438 1.00 0.00 N ATOM 548 CZ ARG B 35 -2.270 29.980 2.945 1.00 0.00 C ATOM 549 NH1 ARG B 35 -2.507 30.077 4.228 1.00 0.00 N ATOM 550 NH2 ARG B 35 -2.544 30.986 2.160 1.00 0.00 N ATOM 0 H ARG B 35 1.123 25.332 5.733 1.00 0.00 H new ATOM 0 HA ARG B 35 1.718 28.289 5.977 1.00 0.00 H new ATOM 0 HB2 ARG B 35 -0.903 26.732 5.583 1.00 0.00 H new ATOM 0 HB3 ARG B 35 -0.868 28.390 6.149 1.00 0.00 H new ATOM 0 HG2 ARG B 35 -0.108 29.232 4.086 1.00 0.00 H new ATOM 0 HG3 ARG B 35 0.695 27.738 3.647 1.00 0.00 H new ATOM 0 HD2 ARG B 35 -1.239 26.823 2.722 1.00 0.00 H new ATOM 0 HD3 ARG B 35 -2.273 27.478 3.976 1.00 0.00 H new ATOM 0 HE ARG B 35 -1.587 28.824 1.435 1.00 0.00 H new ATOM 0 HH11 ARG B 35 -2.297 29.293 4.846 1.00 0.00 H new ATOM 0 HH12 ARG B 35 -2.902 30.936 4.610 1.00 0.00 H new ATOM 0 HH21 ARG B 35 -2.364 30.915 1.159 1.00 0.00 H new ATOM 0 HH22 ARG B 35 -2.939 31.843 2.548 1.00 0.00 H new ATOM 564 N PRO B 36 2.114 26.860 8.226 1.00 0.00 N ATOM 565 CA PRO B 36 2.170 26.609 9.687 1.00 0.00 C ATOM 566 C PRO B 36 2.066 27.927 10.462 1.00 0.00 C ATOM 567 O PRO B 36 3.057 28.638 10.516 1.00 0.00 O ATOM 568 CB PRO B 36 3.538 25.965 9.889 1.00 0.00 C ATOM 569 CG PRO B 36 4.366 26.439 8.737 1.00 0.00 C ATOM 570 CD PRO B 36 3.425 26.685 7.586 1.00 0.00 C ATOM 571 OXT PRO B 36 1.000 28.201 10.986 1.00 0.00 O ATOM 0 HA PRO B 36 1.353 25.982 10.045 1.00 0.00 H new ATOM 0 HB2 PRO B 36 3.978 26.264 10.840 1.00 0.00 H new ATOM 0 HB3 PRO B 36 3.464 24.878 9.900 1.00 0.00 H new ATOM 0 HG2 PRO B 36 4.902 27.351 8.998 1.00 0.00 H new ATOM 0 HG3 PRO B 36 5.116 25.694 8.469 1.00 0.00 H new ATOM 0 HD2 PRO B 36 3.713 27.570 7.018 1.00 0.00 H new ATOM 0 HD3 PRO B 36 3.420 25.847 6.889 1.00 0.00 H new TER 579 PRO B 36 ATOM 580 P G A 1 12.516 -15.265 1.514 1.00 1.31 P ATOM 581 OP1 G A 1 13.698 -14.996 0.655 1.00 1.51 O ATOM 582 OP2 G A 1 12.619 -15.079 2.984 1.00 1.52 O ATOM 583 O5' G A 1 12.029 -16.755 1.232 1.00 1.09 O ATOM 584 C5' G A 1 12.378 -17.829 2.127 1.00 1.03 C ATOM 585 C4' G A 1 11.134 -18.394 2.775 1.00 0.94 C ATOM 586 O4' G A 1 11.347 -18.453 4.207 1.00 1.02 O ATOM 587 C3' G A 1 9.895 -17.528 2.644 1.00 0.80 C ATOM 588 O3' G A 1 9.266 -17.724 1.371 1.00 0.75 O ATOM 589 C2' G A 1 9.040 -17.998 3.820 1.00 0.78 C ATOM 590 O2' G A 1 8.293 -19.170 3.567 1.00 0.77 O ATOM 591 C1' G A 1 10.106 -18.298 4.874 1.00 0.90 C ATOM 592 N9 G A 1 10.218 -17.201 5.823 1.00 0.90 N ATOM 593 C8 G A 1 11.174 -16.215 5.857 1.00 0.97 C ATOM 594 N7 G A 1 10.977 -15.347 6.812 1.00 0.99 N ATOM 595 C5 G A 1 9.824 -15.792 7.445 1.00 0.90 C ATOM 596 C6 G A 1 9.119 -15.256 8.549 1.00 0.88 C ATOM 597 O6 G A 1 9.382 -14.250 9.209 1.00 0.94 O ATOM 598 N1 G A 1 7.998 -16.021 8.865 1.00 0.82 N ATOM 599 C2 G A 1 7.611 -17.158 8.196 1.00 0.81 C ATOM 600 N2 G A 1 6.502 -17.766 8.644 1.00 0.83 N ATOM 601 N3 G A 1 8.261 -17.665 7.165 1.00 0.83 N ATOM 602 C4 G A 1 9.349 -16.936 6.847 1.00 0.86 C ATOM 0 H5' G A 1 13.063 -17.466 2.893 1.00 1.03 H new ATOM 0 H5'' G A 1 12.900 -18.614 1.579 1.00 1.03 H new ATOM 0 H4' G A 1 10.972 -19.349 2.275 1.00 0.94 H new ATOM 0 H3' G A 1 10.087 -16.456 2.678 1.00 0.80 H new ATOM 0 H2' G A 1 8.288 -17.256 4.088 1.00 0.78 H new ATOM 0 HO2' G A 1 8.848 -19.812 3.078 1.00 0.77 H new ATOM 0 H1' G A 1 9.832 -19.201 5.419 1.00 0.90 H new ATOM 0 H8 G A 1 12.002 -16.163 5.166 1.00 0.97 H new ATOM 0 H1 G A 1 7.423 -15.715 9.650 1.00 0.82 H new ATOM 0 H21 G A 1 6.166 -18.614 8.188 1.00 0.83 H new ATOM 0 H22 G A 1 5.995 -17.380 9.441 1.00 0.83 H new ATOM 614 P C A 2 8.346 -19.018 1.107 1.00 0.69 P ATOM 615 OP1 C A 2 8.956 -20.184 1.797 1.00 0.84 O ATOM 616 OP2 C A 2 8.094 -19.084 -0.356 1.00 0.82 O ATOM 617 O5' C A 2 6.969 -18.651 1.818 1.00 0.58 O ATOM 618 C5' C A 2 6.590 -17.274 2.014 1.00 0.57 C ATOM 619 C4' C A 2 5.338 -17.187 2.856 1.00 0.55 C ATOM 620 O4' C A 2 5.719 -17.050 4.248 1.00 0.54 O ATOM 621 C3' C A 2 4.485 -15.963 2.570 1.00 0.51 C ATOM 622 O3' C A 2 3.560 -16.240 1.524 1.00 0.59 O ATOM 623 C2' C A 2 3.765 -15.726 3.894 1.00 0.53 C ATOM 624 O2' C A 2 2.572 -16.480 4.007 1.00 0.67 O ATOM 625 C1' C A 2 4.792 -16.215 4.919 1.00 0.51 C ATOM 626 N1 C A 2 5.544 -15.123 5.551 1.00 0.45 N ATOM 627 C2 C A 2 5.032 -14.549 6.713 1.00 0.44 C ATOM 628 O2 C A 2 3.957 -14.974 7.165 1.00 0.49 O ATOM 629 N3 C A 2 5.716 -13.552 7.317 1.00 0.43 N ATOM 630 C4 C A 2 6.869 -13.126 6.797 1.00 0.45 C ATOM 631 N4 C A 2 7.511 -12.143 7.428 1.00 0.49 N ATOM 632 C5 C A 2 7.414 -13.692 5.608 1.00 0.47 C ATOM 633 C6 C A 2 6.725 -14.680 5.022 1.00 0.46 C ATOM 0 H5' C A 2 6.421 -16.796 1.049 1.00 0.57 H new ATOM 0 H5'' C A 2 7.401 -16.733 2.500 1.00 0.57 H new ATOM 0 H4' C A 2 4.771 -18.089 2.626 1.00 0.55 H new ATOM 0 H3' C A 2 5.059 -15.097 2.241 1.00 0.51 H new ATOM 0 H2' C A 2 3.456 -14.688 4.016 1.00 0.53 H new ATOM 0 HO2' C A 2 1.917 -16.156 3.354 1.00 0.67 H new ATOM 0 H1' C A 2 4.246 -16.737 5.705 1.00 0.51 H new ATOM 0 H41 C A 2 8.395 -11.792 7.059 1.00 0.49 H new ATOM 0 H42 C A 2 7.118 -11.742 8.280 1.00 0.49 H new ATOM 0 H5 C A 2 8.347 -13.338 5.195 1.00 0.47 H new ATOM 0 H6 C A 2 7.107 -15.133 4.119 1.00 0.46 H new ATOM 645 P C A 3 2.685 -15.049 0.896 1.00 0.67 P ATOM 646 OP1 C A 3 2.160 -15.523 -0.410 1.00 1.00 O ATOM 647 OP2 C A 3 3.489 -13.801 0.953 1.00 1.20 O ATOM 648 O5' C A 3 1.458 -14.901 1.899 1.00 0.89 O ATOM 649 C5' C A 3 0.830 -13.624 2.110 1.00 0.68 C ATOM 650 C4' C A 3 0.253 -13.547 3.503 1.00 0.61 C ATOM 651 O4' C A 3 1.339 -13.696 4.449 1.00 0.67 O ATOM 652 C3' C A 3 -0.368 -12.205 3.840 1.00 0.56 C ATOM 653 O3' C A 3 -1.739 -12.166 3.421 1.00 0.57 O ATOM 654 C2' C A 3 -0.194 -12.107 5.354 1.00 0.57 C ATOM 655 O2' C A 3 -1.224 -12.721 6.099 1.00 0.64 O ATOM 656 C1' C A 3 1.109 -12.874 5.580 1.00 0.62 C ATOM 657 N1 C A 3 2.271 -11.984 5.725 1.00 0.61 N ATOM 658 C2 C A 3 2.332 -11.129 6.827 1.00 0.56 C ATOM 659 O2 C A 3 1.402 -11.139 7.646 1.00 0.55 O ATOM 660 N3 C A 3 3.402 -10.313 6.970 1.00 0.58 N ATOM 661 C4 C A 3 4.380 -10.331 6.062 1.00 0.65 C ATOM 662 N4 C A 3 5.416 -9.511 6.242 1.00 0.71 N ATOM 663 C5 C A 3 4.341 -11.191 4.928 1.00 0.71 C ATOM 664 C6 C A 3 3.277 -11.995 4.799 1.00 0.68 C ATOM 0 H5' C A 3 0.041 -13.473 1.373 1.00 0.68 H new ATOM 0 H5'' C A 3 1.557 -12.825 1.966 1.00 0.68 H new ATOM 0 H4' C A 3 -0.513 -14.321 3.553 1.00 0.61 H new ATOM 0 H3' C A 3 0.093 -11.359 3.331 1.00 0.56 H new ATOM 0 H2' C A 3 -0.203 -11.068 5.682 1.00 0.57 H new ATOM 0 HO2' C A 3 -1.393 -13.619 5.745 1.00 0.64 H new ATOM 0 H1' C A 3 1.000 -13.446 6.501 1.00 0.62 H new ATOM 0 H41 C A 3 6.181 -9.499 5.567 1.00 0.71 H new ATOM 0 H42 C A 3 5.444 -8.895 7.055 1.00 0.71 H new ATOM 0 H5 C A 3 5.138 -11.195 4.200 1.00 0.71 H new ATOM 0 H6 C A 3 3.213 -12.661 3.951 1.00 0.68 H new ATOM 676 P C A 4 -2.888 -12.839 4.324 1.00 0.57 P ATOM 677 OP1 C A 4 -2.311 -14.053 4.960 1.00 0.60 O ATOM 678 OP2 C A 4 -4.112 -12.964 3.492 1.00 0.73 O ATOM 679 O5' C A 4 -3.167 -11.742 5.444 1.00 0.61 O ATOM 680 C5' C A 4 -2.960 -10.345 5.161 1.00 0.51 C ATOM 681 C4' C A 4 -2.936 -9.542 6.437 1.00 0.47 C ATOM 682 O4' C A 4 -1.659 -9.750 7.090 1.00 0.55 O ATOM 683 C3' C A 4 -3.012 -8.043 6.215 1.00 0.45 C ATOM 684 O3' C A 4 -4.380 -7.627 6.109 1.00 0.51 O ATOM 685 C2' C A 4 -2.287 -7.473 7.433 1.00 0.47 C ATOM 686 O2' C A 4 -3.110 -7.293 8.569 1.00 0.57 O ATOM 687 C1' C A 4 -1.245 -8.553 7.725 1.00 0.48 C ATOM 688 N1 C A 4 0.088 -8.205 7.205 1.00 0.43 N ATOM 689 C2 C A 4 0.836 -7.222 7.857 1.00 0.39 C ATOM 690 O2 C A 4 0.358 -6.666 8.858 1.00 0.43 O ATOM 691 N3 C A 4 2.060 -6.901 7.379 1.00 0.38 N ATOM 692 C4 C A 4 2.534 -7.524 6.298 1.00 0.45 C ATOM 693 N4 C A 4 3.741 -7.184 5.855 1.00 0.51 N ATOM 694 C5 C A 4 1.792 -8.524 5.620 1.00 0.51 C ATOM 695 C6 C A 4 0.586 -8.833 6.098 1.00 0.48 C ATOM 0 H5' C A 4 -3.754 -9.979 4.510 1.00 0.51 H new ATOM 0 H5'' C A 4 -2.021 -10.213 4.624 1.00 0.51 H new ATOM 0 H4' C A 4 -3.801 -9.873 7.012 1.00 0.47 H new ATOM 0 H3' C A 4 -2.554 -7.697 5.288 1.00 0.45 H new ATOM 0 H2' C A 4 -1.895 -6.477 7.227 1.00 0.47 H new ATOM 0 HO2' C A 4 -3.568 -8.134 8.778 1.00 0.57 H new ATOM 0 H1' C A 4 -1.170 -8.660 8.807 1.00 0.48 H new ATOM 0 H41 C A 4 4.130 -7.643 5.031 1.00 0.51 H new ATOM 0 H42 C A 4 4.278 -6.465 6.339 1.00 0.51 H new ATOM 0 H5 C A 4 2.190 -9.019 4.746 1.00 0.51 H new ATOM 0 H6 C A 4 -0.005 -9.590 5.604 1.00 0.48 H new ATOM 707 P U A 5 -5.298 -7.505 7.421 1.00 0.57 P ATOM 708 OP1 U A 5 -4.843 -8.504 8.421 1.00 0.77 O ATOM 709 OP2 U A 5 -6.713 -7.515 6.968 1.00 0.62 O ATOM 710 O5' U A 5 -4.970 -6.041 7.953 1.00 0.49 O ATOM 711 C5' U A 5 -4.216 -5.122 7.139 1.00 0.45 C ATOM 712 C4' U A 5 -3.461 -4.150 8.011 1.00 0.41 C ATOM 713 O4' U A 5 -2.132 -4.677 8.226 1.00 0.47 O ATOM 714 C3' U A 5 -3.197 -2.793 7.382 1.00 0.35 C ATOM 715 O3' U A 5 -4.301 -1.913 7.578 1.00 0.36 O ATOM 716 C2' U A 5 -1.979 -2.303 8.155 1.00 0.41 C ATOM 717 O2' U A 5 -2.323 -1.629 9.351 1.00 0.50 O ATOM 718 C1' U A 5 -1.247 -3.606 8.476 1.00 0.43 C ATOM 719 N1 U A 5 -0.049 -3.778 7.646 1.00 0.43 N ATOM 720 C2 U A 5 0.992 -2.915 7.885 1.00 0.40 C ATOM 721 O2 U A 5 0.939 -2.046 8.742 1.00 0.39 O ATOM 722 N3 U A 5 2.092 -3.101 7.091 1.00 0.43 N ATOM 723 C4 U A 5 2.251 -4.037 6.099 1.00 0.50 C ATOM 724 O4 U A 5 3.311 -4.069 5.466 1.00 0.54 O ATOM 725 C5 U A 5 1.126 -4.899 5.908 1.00 0.55 C ATOM 726 C6 U A 5 0.036 -4.747 6.671 1.00 0.51 C ATOM 0 H5' U A 5 -4.888 -4.579 6.474 1.00 0.45 H new ATOM 0 H5'' U A 5 -3.519 -5.672 6.508 1.00 0.45 H new ATOM 0 H4' U A 5 -4.084 -4.029 8.897 1.00 0.41 H new ATOM 0 H3' U A 5 -3.045 -2.839 6.304 1.00 0.35 H new ATOM 0 H2' U A 5 -1.394 -1.579 7.587 1.00 0.41 H new ATOM 0 HO2' U A 5 -3.249 -1.315 9.294 1.00 0.50 H new ATOM 0 H1' U A 5 -0.930 -3.580 9.519 1.00 0.43 H new ATOM 0 H3 U A 5 2.881 -2.475 7.255 1.00 0.43 H new ATOM 0 H5 U A 5 1.155 -5.669 5.152 1.00 0.55 H new ATOM 0 H6 U A 5 -0.805 -5.407 6.517 1.00 0.51 H new ATOM 737 P G A 6 -4.717 -0.885 6.414 1.00 0.43 P ATOM 738 OP1 G A 6 -6.200 -0.823 6.391 1.00 0.54 O ATOM 739 OP2 G A 6 -3.981 -1.262 5.180 1.00 0.65 O ATOM 740 O5' G A 6 -4.175 0.528 6.917 1.00 0.43 O ATOM 741 C5' G A 6 -2.835 0.676 7.436 1.00 0.47 C ATOM 742 C4' G A 6 -1.986 1.474 6.474 1.00 0.47 C ATOM 743 O4' G A 6 -0.645 0.925 6.447 1.00 0.53 O ATOM 744 C3' G A 6 -2.423 1.376 5.026 1.00 0.39 C ATOM 745 O3' G A 6 -3.463 2.309 4.751 1.00 0.41 O ATOM 746 C2' G A 6 -1.152 1.731 4.264 1.00 0.48 C ATOM 747 O2' G A 6 -0.998 3.123 4.063 1.00 0.59 O ATOM 748 C1' G A 6 -0.051 1.204 5.189 1.00 0.49 C ATOM 749 N9 G A 6 0.551 -0.022 4.674 1.00 0.50 N ATOM 750 C8 G A 6 -0.020 -1.269 4.651 1.00 0.60 C ATOM 751 N7 G A 6 0.752 -2.177 4.117 1.00 0.63 N ATOM 752 C5 G A 6 1.903 -1.486 3.763 1.00 0.54 C ATOM 753 C6 G A 6 3.093 -1.942 3.132 1.00 0.55 C ATOM 754 O6 G A 6 3.375 -3.086 2.756 1.00 0.61 O ATOM 755 N1 G A 6 4.008 -0.908 2.949 1.00 0.55 N ATOM 756 C2 G A 6 3.801 0.397 3.326 1.00 0.57 C ATOM 757 N2 G A 6 4.803 1.257 3.067 1.00 0.70 N ATOM 758 N3 G A 6 2.697 0.833 3.915 1.00 0.53 N ATOM 759 C4 G A 6 1.797 -0.155 4.100 1.00 0.49 C ATOM 0 H5' G A 6 -2.389 -0.306 7.597 1.00 0.47 H new ATOM 0 H5'' G A 6 -2.866 1.175 8.405 1.00 0.47 H new ATOM 0 H4' G A 6 -2.065 2.501 6.831 1.00 0.47 H new ATOM 0 H3' G A 6 -2.825 0.399 4.757 1.00 0.39 H new ATOM 0 H2' G A 6 -1.145 1.306 3.260 1.00 0.48 H new ATOM 0 HO2' G A 6 -0.201 3.288 3.517 1.00 0.59 H new ATOM 0 H1' G A 6 0.735 1.955 5.265 1.00 0.49 H new ATOM 0 H8 G A 6 -1.007 -1.479 5.035 1.00 0.60 H new ATOM 0 H1 G A 6 4.896 -1.136 2.503 1.00 0.55 H new ATOM 0 H21 G A 6 4.710 2.240 3.323 1.00 0.70 H new ATOM 0 H22 G A 6 5.655 0.926 2.615 1.00 0.70 H new ATOM 771 P A A 7 -4.279 2.201 3.372 1.00 0.43 P ATOM 772 OP1 A A 7 -4.518 3.574 2.860 1.00 0.66 O ATOM 773 OP2 A A 7 -5.432 1.295 3.605 1.00 0.74 O ATOM 774 O5' A A 7 -3.262 1.467 2.390 1.00 0.33 O ATOM 775 C5' A A 7 -3.623 1.183 1.029 1.00 0.29 C ATOM 776 C4' A A 7 -2.652 1.847 0.083 1.00 0.23 C ATOM 777 O4' A A 7 -2.768 3.280 0.226 1.00 0.23 O ATOM 778 C3' A A 7 -1.185 1.592 0.378 1.00 0.25 C ATOM 779 O3' A A 7 -0.770 0.359 -0.200 1.00 0.27 O ATOM 780 C2' A A 7 -0.498 2.777 -0.293 1.00 0.24 C ATOM 781 O2' A A 7 -0.219 2.559 -1.661 1.00 0.25 O ATOM 782 C1' A A 7 -1.545 3.882 -0.150 1.00 0.21 C ATOM 783 N9 A A 7 -1.185 4.877 0.859 1.00 0.24 N ATOM 784 C8 A A 7 -1.739 5.062 2.101 1.00 0.29 C ATOM 785 N7 A A 7 -1.195 6.041 2.782 1.00 0.33 N ATOM 786 C5 A A 7 -0.217 6.535 1.931 1.00 0.30 C ATOM 787 C6 A A 7 0.712 7.583 2.064 1.00 0.34 C ATOM 788 N6 A A 7 0.813 8.351 3.150 1.00 0.39 N ATOM 789 N1 A A 7 1.546 7.817 1.026 1.00 0.35 N ATOM 790 C2 A A 7 1.444 7.046 -0.064 1.00 0.32 C ATOM 791 N3 A A 7 0.614 6.035 -0.306 1.00 0.27 N ATOM 792 C4 A A 7 -0.201 5.828 0.744 1.00 0.25 C ATOM 0 H5' A A 7 -4.635 1.538 0.832 1.00 0.29 H new ATOM 0 H5'' A A 7 -3.625 0.106 0.863 1.00 0.29 H new ATOM 0 H4' A A 7 -2.910 1.439 -0.894 1.00 0.23 H new ATOM 0 H3' A A 7 -0.956 1.512 1.441 1.00 0.25 H new ATOM 0 H2' A A 7 0.471 2.993 0.156 1.00 0.24 H new ATOM 0 HO2' A A 7 0.219 3.351 -2.036 1.00 0.25 H new ATOM 0 H1' A A 7 -1.618 4.401 -1.106 1.00 0.21 H new ATOM 0 H8 A A 7 -2.548 4.457 2.482 1.00 0.29 H new ATOM 0 H61 A A 7 1.509 9.096 3.185 1.00 0.39 H new ATOM 0 H62 A A 7 0.195 8.193 3.946 1.00 0.39 H new ATOM 0 H2 A A 7 2.135 7.278 -0.861 1.00 0.32 H new ATOM 804 P A A 8 0.231 -0.601 0.607 1.00 0.37 P ATOM 805 OP1 A A 8 0.036 -1.981 0.093 1.00 0.47 O ATOM 806 OP2 A A 8 0.069 -0.328 2.058 1.00 0.44 O ATOM 807 O5' A A 8 1.677 -0.104 0.160 1.00 0.38 O ATOM 808 C5' A A 8 1.897 0.424 -1.161 1.00 0.39 C ATOM 809 C4' A A 8 2.869 1.577 -1.105 1.00 0.43 C ATOM 810 O4' A A 8 2.229 2.694 -0.441 1.00 0.37 O ATOM 811 C3' A A 8 4.104 1.305 -0.265 1.00 0.53 C ATOM 812 O3' A A 8 5.133 0.676 -1.031 1.00 0.66 O ATOM 813 C2' A A 8 4.531 2.699 0.180 1.00 0.50 C ATOM 814 O2' A A 8 5.339 3.356 -0.774 1.00 0.58 O ATOM 815 C1' A A 8 3.190 3.423 0.303 1.00 0.38 C ATOM 816 N9 A A 8 2.723 3.496 1.687 1.00 0.36 N ATOM 817 C8 A A 8 1.736 2.748 2.272 1.00 0.42 C ATOM 818 N7 A A 8 1.529 3.042 3.533 1.00 0.47 N ATOM 819 C5 A A 8 2.448 4.049 3.796 1.00 0.41 C ATOM 820 C6 A A 8 2.742 4.785 4.958 1.00 0.44 C ATOM 821 N6 A A 8 2.107 4.617 6.120 1.00 0.54 N ATOM 822 N1 A A 8 3.721 5.711 4.884 1.00 0.40 N ATOM 823 C2 A A 8 4.358 5.879 3.718 1.00 0.36 C ATOM 824 N3 A A 8 4.172 5.251 2.558 1.00 0.35 N ATOM 825 C4 A A 8 3.191 4.338 2.666 1.00 0.35 C ATOM 0 H5' A A 8 0.952 0.756 -1.590 1.00 0.39 H new ATOM 0 H5'' A A 8 2.286 -0.358 -1.813 1.00 0.39 H new ATOM 0 H4' A A 8 3.158 1.760 -2.140 1.00 0.43 H new ATOM 0 H3' A A 8 3.910 0.625 0.565 1.00 0.53 H new ATOM 0 H2' A A 8 5.131 2.674 1.090 1.00 0.50 H new ATOM 0 HO2' A A 8 4.914 3.301 -1.656 1.00 0.58 H new ATOM 0 H1' A A 8 3.320 4.440 -0.067 1.00 0.38 H new ATOM 0 H8 A A 8 1.180 1.987 1.744 1.00 0.42 H new ATOM 0 H61 A A 8 2.366 5.182 6.929 1.00 0.54 H new ATOM 0 H62 A A 8 1.363 3.924 6.199 1.00 0.54 H new ATOM 0 H2 A A 8 5.133 6.631 3.718 1.00 0.36 H new ATOM 837 P A A 9 5.103 0.754 -2.638 1.00 1.47 P ATOM 838 OP1 A A 9 5.057 2.190 -3.011 1.00 2.33 O ATOM 839 OP2 A A 9 4.049 -0.167 -3.133 1.00 2.35 O ATOM 840 O5' A A 9 6.520 0.177 -3.077 1.00 1.08 O ATOM 841 C5' A A 9 7.670 0.340 -2.233 1.00 1.04 C ATOM 842 C4' A A 9 8.343 1.657 -2.518 1.00 1.09 C ATOM 843 O4' A A 9 7.742 2.242 -3.699 1.00 1.26 O ATOM 844 C3' A A 9 8.124 2.709 -1.450 1.00 0.99 C ATOM 845 O3' A A 9 9.063 2.559 -0.392 1.00 1.17 O ATOM 846 C2' A A 9 8.339 4.007 -2.214 1.00 1.26 C ATOM 847 O2' A A 9 9.706 4.356 -2.324 1.00 1.57 O ATOM 848 C1' A A 9 7.777 3.655 -3.596 1.00 1.29 C ATOM 849 N9 A A 9 6.412 4.145 -3.785 1.00 0.00 N ATOM 850 C8 A A 9 5.654 4.872 -2.902 1.00 0.00 C ATOM 851 N7 A A 9 4.460 5.170 -3.351 1.00 0.00 N ATOM 852 C5 A A 9 4.426 4.598 -4.614 1.00 0.00 C ATOM 853 C6 A A 9 3.430 4.548 -5.603 1.00 0.00 C ATOM 854 N6 A A 9 2.229 5.115 -5.473 1.00 0.00 N ATOM 855 N1 A A 9 3.714 3.886 -6.745 1.00 0.00 N ATOM 856 C2 A A 9 4.919 3.316 -6.873 1.00 0.00 C ATOM 857 N3 A A 9 5.937 3.296 -6.017 1.00 0.00 N ATOM 858 C4 A A 9 5.623 3.963 -4.894 1.00 0.00 C ATOM 0 H5' A A 9 8.371 -0.478 -2.399 1.00 1.04 H new ATOM 0 H5'' A A 9 7.371 0.296 -1.186 1.00 1.04 H new ATOM 0 H4' A A 9 9.404 1.421 -2.601 1.00 1.09 H new ATOM 0 H3' A A 9 7.146 2.654 -0.971 1.00 0.99 H new ATOM 0 H2' A A 9 7.871 4.862 -1.726 1.00 1.26 H new ATOM 0 HO2' A A 9 10.230 3.833 -1.682 1.00 1.57 H new ATOM 0 H1' A A 9 8.413 4.120 -4.349 1.00 1.29 H new ATOM 0 H8 A A 9 6.009 5.171 -1.927 1.00 0.00 H new ATOM 0 H61 A A 9 1.547 5.044 -6.228 1.00 0.00 H new ATOM 0 H62 A A 9 1.993 5.620 -4.618 1.00 0.00 H new ATOM 0 H2 A A 9 5.089 2.798 -7.805 1.00 0.00 H new ATOM 870 P A A 10 8.796 1.469 0.758 1.00 1.33 P ATOM 871 OP1 A A 10 9.272 0.151 0.269 1.00 2.11 O ATOM 872 OP2 A A 10 7.380 1.618 1.220 1.00 2.10 O ATOM 873 O5' A A 10 9.749 1.934 1.945 1.00 0.79 O ATOM 874 C5' A A 10 9.313 1.844 3.306 1.00 0.59 C ATOM 875 C4' A A 10 9.436 3.184 3.990 1.00 0.54 C ATOM 876 O4' A A 10 8.168 3.870 3.884 1.00 0.50 O ATOM 877 C3' A A 10 9.700 3.081 5.480 1.00 0.50 C ATOM 878 O3' A A 10 11.104 3.019 5.727 1.00 0.61 O ATOM 879 C2' A A 10 9.067 4.348 6.041 1.00 0.50 C ATOM 880 O2' A A 10 9.947 5.456 6.015 1.00 0.61 O ATOM 881 C1' A A 10 7.900 4.582 5.078 1.00 0.48 C ATOM 882 N9 A A 10 6.636 4.063 5.588 1.00 0.45 N ATOM 883 C8 A A 10 5.838 3.132 4.979 1.00 0.45 C ATOM 884 N7 A A 10 4.754 2.839 5.655 1.00 0.51 N ATOM 885 C5 A A 10 4.849 3.632 6.792 1.00 0.54 C ATOM 886 C6 A A 10 4.015 3.783 7.912 1.00 0.64 C ATOM 887 N6 A A 10 2.869 3.118 8.079 1.00 0.72 N ATOM 888 N1 A A 10 4.404 4.653 8.870 1.00 0.69 N ATOM 889 C2 A A 10 5.553 5.319 8.702 1.00 0.66 C ATOM 890 N3 A A 10 6.421 5.263 7.696 1.00 0.58 N ATOM 891 C4 A A 10 6.005 4.392 6.762 1.00 0.51 C ATOM 0 H5' A A 10 9.909 1.102 3.837 1.00 0.59 H new ATOM 0 H5'' A A 10 8.278 1.505 3.341 1.00 0.59 H new ATOM 0 H4' A A 10 10.269 3.695 3.506 1.00 0.54 H new ATOM 0 H3' A A 10 9.287 2.184 5.942 1.00 0.50 H new ATOM 0 H2' A A 10 8.783 4.241 7.088 1.00 0.50 H new ATOM 0 HO2' A A 10 9.494 6.243 6.384 1.00 0.61 H new ATOM 0 H1' A A 10 7.810 5.659 4.934 1.00 0.48 H new ATOM 0 H8 A A 10 6.080 2.680 4.028 1.00 0.45 H new ATOM 0 H61 A A 10 2.307 3.272 8.916 1.00 0.72 H new ATOM 0 H62 A A 10 2.556 2.456 7.369 1.00 0.72 H new ATOM 0 H2 A A 10 5.813 6.000 9.499 1.00 0.66 H new ATOM 903 P A A 11 11.653 3.087 7.236 1.00 0.62 P ATOM 904 OP1 A A 11 12.375 4.372 7.413 1.00 0.77 O ATOM 905 OP2 A A 11 12.354 1.807 7.511 1.00 0.65 O ATOM 906 O5' A A 11 10.333 3.128 8.126 1.00 0.58 O ATOM 907 C5' A A 11 10.235 4.006 9.263 1.00 0.56 C ATOM 908 C4' A A 11 8.956 3.733 10.019 1.00 0.49 C ATOM 909 O4' A A 11 7.904 3.481 9.057 1.00 0.46 O ATOM 910 C3' A A 11 8.990 2.486 10.886 1.00 0.47 C ATOM 911 O3' A A 11 9.486 2.796 12.184 1.00 0.51 O ATOM 912 C2' A A 11 7.527 2.065 10.938 1.00 0.43 C ATOM 913 O2' A A 11 6.808 2.712 11.970 1.00 0.47 O ATOM 914 C1' A A 11 7.006 2.517 9.573 1.00 0.42 C ATOM 915 N9 A A 11 6.924 1.421 8.608 1.00 0.41 N ATOM 916 C8 A A 11 7.870 1.022 7.696 1.00 0.46 C ATOM 917 N7 A A 11 7.490 0.009 6.952 1.00 0.47 N ATOM 918 C5 A A 11 6.211 -0.279 7.408 1.00 0.42 C ATOM 919 C6 A A 11 5.261 -1.247 7.030 1.00 0.43 C ATOM 920 N6 A A 11 5.446 -2.153 6.060 1.00 0.49 N ATOM 921 N1 A A 11 4.086 -1.255 7.694 1.00 0.40 N ATOM 922 C2 A A 11 3.884 -0.357 8.664 1.00 0.37 C ATOM 923 N3 A A 11 4.693 0.597 9.106 1.00 0.37 N ATOM 924 C4 A A 11 5.853 0.583 8.430 1.00 0.39 C ATOM 0 H5' A A 11 10.257 5.045 8.933 1.00 0.56 H new ATOM 0 H5'' A A 11 11.093 3.861 9.920 1.00 0.56 H new ATOM 0 H4' A A 11 8.804 4.605 10.655 1.00 0.49 H new ATOM 0 H3' A A 11 9.642 1.702 10.500 1.00 0.47 H new ATOM 0 H2' A A 11 7.412 1.000 11.142 1.00 0.43 H new ATOM 0 HO2' A A 11 7.437 3.096 12.616 1.00 0.47 H new ATOM 0 H1' A A 11 6.001 2.914 9.717 1.00 0.42 H new ATOM 0 H8 A A 11 8.835 1.497 7.600 1.00 0.46 H new ATOM 0 H61 A A 11 4.710 -2.824 5.842 1.00 0.49 H new ATOM 0 H62 A A 11 6.323 -2.171 5.540 1.00 0.49 H new ATOM 0 H2 A A 11 2.926 -0.417 9.158 1.00 0.37 H new ATOM 936 P G A 12 10.396 1.728 12.967 1.00 0.56 P ATOM 937 OP1 G A 12 11.147 2.443 14.030 1.00 0.65 O ATOM 938 OP2 G A 12 11.137 0.942 11.947 1.00 0.68 O ATOM 939 O5' G A 12 9.340 0.761 13.666 1.00 0.50 O ATOM 940 C5' G A 12 8.910 -0.451 13.019 1.00 0.47 C ATOM 941 C4' G A 12 7.409 -0.584 13.103 1.00 0.42 C ATOM 942 O4' G A 12 6.866 -0.411 11.772 1.00 0.40 O ATOM 943 C3' G A 12 6.921 -1.959 13.513 1.00 0.39 C ATOM 944 O3' G A 12 6.935 -2.100 14.940 1.00 0.43 O ATOM 945 C2' G A 12 5.520 -2.013 12.908 1.00 0.35 C ATOM 946 O2' G A 12 4.520 -1.413 13.707 1.00 0.37 O ATOM 947 C1' G A 12 5.700 -1.199 11.623 1.00 0.35 C ATOM 948 N9 G A 12 5.882 -2.050 10.454 1.00 0.33 N ATOM 949 C8 G A 12 6.976 -2.093 9.623 1.00 0.36 C ATOM 950 N7 G A 12 6.855 -2.968 8.663 1.00 0.36 N ATOM 951 C5 G A 12 5.605 -3.536 8.871 1.00 0.33 C ATOM 952 C6 G A 12 4.923 -4.545 8.145 1.00 0.36 C ATOM 953 O6 G A 12 5.302 -5.163 7.142 1.00 0.40 O ATOM 954 N1 G A 12 3.675 -4.821 8.696 1.00 0.36 N ATOM 955 C2 G A 12 3.155 -4.204 9.806 1.00 0.34 C ATOM 956 N2 G A 12 1.934 -4.609 10.188 1.00 0.37 N ATOM 957 N3 G A 12 3.780 -3.261 10.493 1.00 0.31 N ATOM 958 C4 G A 12 4.992 -2.979 9.971 1.00 0.31 C ATOM 0 H5' G A 12 9.385 -1.311 13.490 1.00 0.47 H new ATOM 0 H5'' G A 12 9.224 -0.445 11.975 1.00 0.47 H new ATOM 0 H4' G A 12 7.096 0.152 13.844 1.00 0.42 H new ATOM 0 H3' G A 12 7.544 -2.782 13.164 1.00 0.39 H new ATOM 0 H2' G A 12 5.180 -3.041 12.781 1.00 0.35 H new ATOM 0 HO2' G A 12 4.850 -0.560 14.058 1.00 0.37 H new ATOM 0 H1' G A 12 4.804 -0.597 11.470 1.00 0.35 H new ATOM 0 H8 G A 12 7.846 -1.467 9.752 1.00 0.36 H new ATOM 0 H1 G A 12 3.105 -5.534 8.241 1.00 0.36 H new ATOM 0 H21 G A 12 1.490 -4.190 11.006 1.00 0.37 H new ATOM 0 H22 G A 12 1.450 -5.335 9.661 1.00 0.37 H new ATOM 970 P G A 13 5.775 -1.439 15.837 1.00 0.51 P ATOM 971 OP1 G A 13 5.278 -0.218 15.152 1.00 0.57 O ATOM 972 OP2 G A 13 6.302 -1.334 17.222 1.00 0.59 O ATOM 973 O5' G A 13 4.632 -2.548 15.839 1.00 0.57 O ATOM 974 C5' G A 13 4.974 -3.948 15.816 1.00 0.62 C ATOM 975 C4' G A 13 3.766 -4.782 15.474 1.00 0.60 C ATOM 976 O4' G A 13 3.439 -4.557 14.084 1.00 0.59 O ATOM 977 C3' G A 13 3.992 -6.280 15.580 1.00 0.59 C ATOM 978 O3' G A 13 3.714 -6.737 16.901 1.00 0.66 O ATOM 979 C2' G A 13 3.001 -6.849 14.574 1.00 0.57 C ATOM 980 O2' G A 13 1.712 -7.043 15.124 1.00 0.63 O ATOM 981 C1' G A 13 2.955 -5.753 13.509 1.00 0.54 C ATOM 982 N9 G A 13 3.806 -6.052 12.365 1.00 0.50 N ATOM 983 C8 G A 13 5.017 -5.474 12.076 1.00 0.54 C ATOM 984 N7 G A 13 5.553 -5.929 10.977 1.00 0.56 N ATOM 985 C5 G A 13 4.641 -6.869 10.517 1.00 0.50 C ATOM 986 C6 G A 13 4.679 -7.693 9.367 1.00 0.53 C ATOM 987 O6 G A 13 5.554 -7.756 8.498 1.00 0.60 O ATOM 988 N1 G A 13 3.552 -8.505 9.278 1.00 0.51 N ATOM 989 C2 G A 13 2.520 -8.517 10.186 1.00 0.48 C ATOM 990 N2 G A 13 1.519 -9.371 9.930 1.00 0.52 N ATOM 991 N3 G A 13 2.473 -7.753 11.264 1.00 0.47 N ATOM 992 C4 G A 13 3.559 -6.958 11.364 1.00 0.47 C ATOM 0 H5' G A 13 5.367 -4.248 16.787 1.00 0.62 H new ATOM 0 H5'' G A 13 5.763 -4.124 15.085 1.00 0.62 H new ATOM 0 H4' G A 13 2.993 -4.486 16.184 1.00 0.60 H new ATOM 0 H3' G A 13 5.020 -6.582 15.377 1.00 0.59 H new ATOM 0 H2' G A 13 3.300 -7.832 14.210 1.00 0.57 H new ATOM 0 HO2' G A 13 1.436 -7.974 14.991 1.00 0.63 H new ATOM 0 H1' G A 13 1.924 -5.672 13.166 1.00 0.54 H new ATOM 0 H8 G A 13 5.479 -4.719 12.695 1.00 0.54 H new ATOM 0 H1 G A 13 3.487 -9.138 8.480 1.00 0.51 H new ATOM 0 H21 G A 13 0.723 -9.429 10.565 1.00 0.52 H new ATOM 0 H22 G A 13 1.553 -9.963 9.100 1.00 0.52 H new ATOM 1004 P G A 14 4.516 -7.997 17.492 1.00 0.74 P ATOM 1005 OP1 G A 14 4.391 -7.980 18.971 1.00 0.90 O ATOM 1006 OP2 G A 14 5.865 -7.997 16.870 1.00 0.80 O ATOM 1007 O5' G A 14 3.715 -9.257 16.936 1.00 0.68 O ATOM 1008 C5' G A 14 2.286 -9.348 17.084 1.00 0.70 C ATOM 1009 C4' G A 14 1.727 -10.378 16.131 1.00 0.68 C ATOM 1010 O4' G A 14 1.844 -9.875 14.776 1.00 0.67 O ATOM 1011 C3' G A 14 2.491 -11.687 16.083 1.00 0.67 C ATOM 1012 O3' G A 14 2.076 -12.554 17.133 1.00 0.77 O ATOM 1013 C2' G A 14 2.099 -12.240 14.719 1.00 0.67 C ATOM 1014 O2' G A 14 0.854 -12.911 14.736 1.00 0.80 O ATOM 1015 C1' G A 14 1.988 -10.965 13.881 1.00 0.61 C ATOM 1016 N9 G A 14 3.179 -10.734 13.071 1.00 0.50 N ATOM 1017 C8 G A 14 4.175 -9.815 13.295 1.00 0.50 C ATOM 1018 N7 G A 14 5.119 -9.854 12.394 1.00 0.47 N ATOM 1019 C5 G A 14 4.720 -10.859 11.522 1.00 0.41 C ATOM 1020 C6 G A 14 5.342 -11.358 10.348 1.00 0.40 C ATOM 1021 O6 G A 14 6.404 -10.996 9.831 1.00 0.45 O ATOM 1022 N1 G A 14 4.597 -12.383 9.765 1.00 0.41 N ATOM 1023 C2 G A 14 3.406 -12.860 10.257 1.00 0.46 C ATOM 1024 N2 G A 14 2.834 -13.851 9.558 1.00 0.55 N ATOM 1025 N3 G A 14 2.817 -12.402 11.349 1.00 0.49 N ATOM 1026 C4 G A 14 3.525 -11.410 11.926 1.00 0.44 C ATOM 0 H5' G A 14 1.830 -8.377 16.890 1.00 0.70 H new ATOM 0 H5'' G A 14 2.036 -9.618 18.110 1.00 0.70 H new ATOM 0 H4' G A 14 0.712 -10.554 16.487 1.00 0.68 H new ATOM 0 H3' G A 14 3.568 -11.576 16.212 1.00 0.67 H new ATOM 0 H2' G A 14 2.811 -12.979 14.351 1.00 0.67 H new ATOM 0 HO2' G A 14 0.650 -13.244 13.837 1.00 0.80 H new ATOM 0 H1' G A 14 1.137 -11.066 13.207 1.00 0.61 H new ATOM 0 H8 G A 14 4.177 -9.131 14.130 1.00 0.50 H new ATOM 0 H1 G A 14 4.962 -12.809 8.913 1.00 0.41 H new ATOM 0 H21 G A 14 1.948 -14.250 9.870 1.00 0.55 H new ATOM 0 H22 G A 14 3.284 -14.206 8.715 1.00 0.55 H new ATOM 1038 P C A 15 3.098 -13.654 17.704 1.00 0.87 P ATOM 1039 OP1 C A 15 2.524 -14.224 18.949 1.00 1.02 O ATOM 1040 OP2 C A 15 4.448 -13.034 17.734 1.00 0.91 O ATOM 1041 O5' C A 15 3.097 -14.788 16.586 1.00 0.85 O ATOM 1042 C5' C A 15 1.866 -15.392 16.155 1.00 0.94 C ATOM 1043 C4' C A 15 2.110 -16.286 14.963 1.00 0.97 C ATOM 1044 O4' C A 15 2.469 -15.474 13.820 1.00 0.84 O ATOM 1045 C3' C A 15 3.295 -17.221 15.108 1.00 1.09 C ATOM 1046 O3' C A 15 2.924 -18.410 15.816 1.00 1.31 O ATOM 1047 C2' C A 15 3.651 -17.538 13.660 1.00 1.09 C ATOM 1048 O2' C A 15 2.917 -18.630 13.139 1.00 1.30 O ATOM 1049 C1' C A 15 3.261 -16.248 12.936 1.00 0.89 C ATOM 1050 N1 C A 15 4.438 -15.462 12.546 1.00 0.75 N ATOM 1051 C2 C A 15 5.201 -15.904 11.464 1.00 0.77 C ATOM 1052 O2 C A 15 4.851 -16.929 10.862 1.00 0.89 O ATOM 1053 N3 C A 15 6.296 -15.211 11.100 1.00 0.70 N ATOM 1054 C4 C A 15 6.640 -14.115 11.769 1.00 0.66 C ATOM 1055 N4 C A 15 7.729 -13.471 11.367 1.00 0.71 N ATOM 1056 C5 C A 15 5.882 -13.635 12.876 1.00 0.64 C ATOM 1057 C6 C A 15 4.795 -14.333 13.228 1.00 0.66 C ATOM 0 H5' C A 15 1.144 -14.617 15.896 1.00 0.94 H new ATOM 0 H5'' C A 15 1.432 -15.971 16.970 1.00 0.94 H new ATOM 0 H4' C A 15 1.187 -16.857 14.862 1.00 0.97 H new ATOM 0 H3' C A 15 4.121 -16.790 15.673 1.00 1.09 H new ATOM 0 H2' C A 15 4.696 -17.828 13.548 1.00 1.09 H new ATOM 0 HO2' C A 15 2.684 -19.244 13.866 1.00 1.30 H new ATOM 0 HO3' C A 15 3.703 -18.999 15.896 1.00 1.31 H new ATOM 0 H1' C A 15 2.717 -16.508 12.028 1.00 0.89 H new ATOM 0 H41 C A 15 8.030 -12.625 11.852 1.00 0.71 H new ATOM 0 H42 C A 15 8.265 -13.822 10.573 1.00 0.71 H new ATOM 0 H5 C A 15 6.173 -12.743 13.410 1.00 0.64 H new ATOM 0 H6 C A 15 4.193 -14.000 14.061 1.00 0.66 H new TER 1069 C A 15