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 49:sc= -5.94! USER MOD Single : A 2 C O2' : rot -94:sc= 0.706 USER MOD Single : A 3 C O2' : rot 45:sc= -6.12! USER MOD Single : A 4 C O2' : rot 6:sc= -1.05 USER MOD Single : A 5 U O2' : rot 77:sc= -5.14! USER MOD Single : A 6 G O2' : rot -177:sc= -0.635! USER MOD Single : A 7 A O2' : rot 180:sc= -4.5! USER MOD Single : A 8 A O2' : rot 47:sc= -1.66! USER MOD Single : A 9 A O2' : rot -16:sc= 0.138 USER MOD Single : A 10 A O2' : rot -23:sc= 0.138 USER MOD Single : A 11 A O2' : rot -87:sc= -0.814! USER MOD Single : A 12 G O2' : rot -89:sc= 0.663 USER MOD Single : A 13 G O2' : rot 180:sc= -0.726 USER MOD Single : A 14 G O2' : rot 180:sc= -2.07! USER MOD Single : A 15 C O2' : rot -15:sc= 0.183 USER MOD Single : A 15 C O3' : rot 180:sc= 0.209 USER MOD Single : B 4 GLN : amide:sc= -2.74 K(o=-2.7,f=-6.2!) 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 : amide:sc= -3.53! C(o=-3.5!,f=-1.9!) USER MOD Single : B 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 19 LYS NZ :NH3+ 160:sc= -1.79! (180deg=-2.45!) USER MOD Single : B 22 ASN : amide:sc= -6.21! C(o=-6.2!,f=-5.5!) USER MOD Single : B 29 SER OG : rot 180:sc= 0 USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 ASN : amide:sc= -0.0419 K(o=-0.042,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP B 2 9.908 -13.306 -0.142 1.00 0.76 N ATOM 2 CA ASP B 2 9.169 -12.580 0.932 1.00 0.88 C ATOM 3 C ASP B 2 7.670 -12.839 0.809 1.00 0.68 C ATOM 4 O ASP B 2 7.239 -13.795 0.194 1.00 0.66 O ATOM 5 CB ASP B 2 9.471 -11.095 0.709 1.00 1.25 C ATOM 6 CG ASP B 2 10.984 -10.880 0.602 1.00 1.88 C ATOM 7 OD1 ASP B 2 11.658 -11.041 1.606 1.00 2.35 O ATOM 8 OD2 ASP B 2 11.441 -10.558 -0.483 1.00 2.37 O ATOM 0 HA ASP B 2 9.473 -12.909 1.926 1.00 0.88 H new ATOM 0 HB2 ASP B 2 8.981 -10.748 -0.200 1.00 1.25 H new ATOM 0 HB3 ASP B 2 9.069 -10.506 1.533 1.00 1.25 H new ATOM 15 N ALA B 3 6.877 -11.990 1.395 1.00 0.63 N ATOM 16 CA ALA B 3 5.396 -12.170 1.328 1.00 0.58 C ATOM 17 C ALA B 3 4.694 -10.815 1.276 1.00 0.63 C ATOM 18 O ALA B 3 3.728 -10.634 0.561 1.00 0.61 O ATOM 19 CB ALA B 3 5.033 -12.920 2.608 1.00 0.75 C ATOM 0 H ALA B 3 7.189 -11.174 1.921 1.00 0.63 H new ATOM 0 HA ALA B 3 5.087 -12.714 0.435 1.00 0.58 H new ATOM 0 HB1 ALA B 3 3.957 -13.092 2.636 1.00 0.75 H new ATOM 0 HB2 ALA B 3 5.555 -13.877 2.629 1.00 0.75 H new ATOM 0 HB3 ALA B 3 5.328 -12.327 3.473 1.00 0.75 H new ATOM 25 N GLN B 4 5.172 -9.859 2.021 1.00 0.75 N ATOM 26 CA GLN B 4 4.528 -8.516 2.003 1.00 0.89 C ATOM 27 C GLN B 4 4.754 -7.871 0.649 1.00 0.79 C ATOM 28 O GLN B 4 3.819 -7.474 -0.019 1.00 0.81 O ATOM 29 CB GLN B 4 5.218 -7.718 3.106 1.00 1.09 C ATOM 30 CG GLN B 4 4.431 -6.436 3.380 1.00 1.29 C ATOM 31 CD GLN B 4 5.283 -5.491 4.227 1.00 0.85 C ATOM 32 OE1 GLN B 4 5.657 -5.822 5.333 1.00 1.14 O ATOM 33 NE2 GLN B 4 5.614 -4.324 3.748 1.00 0.94 N ATOM 0 H GLN B 4 5.978 -9.948 2.640 1.00 0.75 H new ATOM 0 HA GLN B 4 3.452 -8.564 2.168 1.00 0.89 H new ATOM 0 HB2 GLN B 4 5.285 -8.317 4.014 1.00 1.09 H new ATOM 0 HB3 GLN B 4 6.238 -7.474 2.809 1.00 1.09 H new ATOM 0 HG2 GLN B 4 4.159 -5.955 2.440 1.00 1.29 H new ATOM 0 HG3 GLN B 4 3.502 -6.670 3.899 1.00 1.29 H new ATOM 0 HE21 GLN B 4 5.299 -4.046 2.818 1.00 0.94 H new ATOM 0 HE22 GLN B 4 6.188 -3.689 4.303 1.00 0.94 H new ATOM 42 N THR B 5 5.984 -7.790 0.222 1.00 0.76 N ATOM 43 CA THR B 5 6.257 -7.202 -1.119 1.00 0.79 C ATOM 44 C THR B 5 5.325 -7.880 -2.120 1.00 0.59 C ATOM 45 O THR B 5 4.828 -7.272 -3.047 1.00 0.57 O ATOM 46 CB THR B 5 7.719 -7.529 -1.422 1.00 0.94 C ATOM 47 OG1 THR B 5 8.552 -6.934 -0.438 1.00 1.26 O ATOM 48 CG2 THR B 5 8.078 -6.981 -2.800 1.00 0.94 C ATOM 0 H THR B 5 6.806 -8.103 0.739 1.00 0.76 H new ATOM 0 HA THR B 5 6.091 -6.126 -1.166 1.00 0.79 H new ATOM 0 HB THR B 5 7.866 -8.609 -1.409 1.00 0.94 H new ATOM 0 HG1 THR B 5 9.489 -7.145 -0.632 1.00 1.26 H new ATOM 0 HG21 THR B 5 9.120 -7.211 -3.023 1.00 0.94 H new ATOM 0 HG22 THR B 5 7.436 -7.440 -3.552 1.00 0.94 H new ATOM 0 HG23 THR B 5 7.934 -5.901 -2.811 1.00 0.94 H new ATOM 56 N ARG B 6 5.050 -9.134 -1.886 1.00 0.48 N ATOM 57 CA ARG B 6 4.106 -9.872 -2.762 1.00 0.46 C ATOM 58 C ARG B 6 2.707 -9.382 -2.467 1.00 0.43 C ATOM 59 O ARG B 6 1.923 -9.106 -3.353 1.00 0.45 O ATOM 60 CB ARG B 6 4.204 -11.333 -2.335 1.00 0.56 C ATOM 61 CG ARG B 6 4.778 -12.175 -3.478 1.00 0.78 C ATOM 62 CD ARG B 6 6.244 -12.506 -3.188 1.00 1.03 C ATOM 63 NE ARG B 6 6.197 -13.609 -2.185 1.00 0.88 N ATOM 64 CZ ARG B 6 5.849 -14.822 -2.538 1.00 0.73 C ATOM 65 NH1 ARG B 6 5.532 -15.093 -3.778 1.00 1.26 N ATOM 66 NH2 ARG B 6 5.816 -15.771 -1.642 1.00 1.43 N ATOM 0 H ARG B 6 5.443 -9.680 -1.119 1.00 0.48 H new ATOM 0 HA ARG B 6 4.330 -9.736 -3.820 1.00 0.46 H new ATOM 0 HB2 ARG B 6 4.839 -11.421 -1.453 1.00 0.56 H new ATOM 0 HB3 ARG B 6 3.218 -11.706 -2.057 1.00 0.56 H new ATOM 0 HG2 ARG B 6 4.203 -13.094 -3.590 1.00 0.78 H new ATOM 0 HG3 ARG B 6 4.697 -11.631 -4.419 1.00 0.78 H new ATOM 0 HD2 ARG B 6 6.765 -12.817 -4.093 1.00 1.03 H new ATOM 0 HD3 ARG B 6 6.775 -11.638 -2.797 1.00 1.03 H new ATOM 0 HE ARG B 6 6.439 -13.417 -1.213 1.00 0.88 H new ATOM 0 HH11 ARG B 6 5.554 -14.356 -4.483 1.00 1.26 H new ATOM 0 HH12 ARG B 6 5.263 -16.041 -4.040 1.00 1.26 H new ATOM 0 HH21 ARG B 6 6.060 -15.566 -0.673 1.00 1.43 H new ATOM 0 HH22 ARG B 6 5.546 -16.717 -1.911 1.00 1.43 H new ATOM 80 N ARG B 7 2.389 -9.287 -1.204 1.00 0.61 N ATOM 81 CA ARG B 7 1.036 -8.827 -0.825 1.00 0.80 C ATOM 82 C ARG B 7 0.782 -7.445 -1.424 1.00 0.65 C ATOM 83 O ARG B 7 -0.322 -7.113 -1.807 1.00 0.56 O ATOM 84 CB ARG B 7 1.040 -8.766 0.705 1.00 1.16 C ATOM 85 CG ARG B 7 -0.246 -8.087 1.198 1.00 1.10 C ATOM 86 CD ARG B 7 -0.086 -7.671 2.662 1.00 0.92 C ATOM 87 NE ARG B 7 -0.912 -6.441 2.819 1.00 0.41 N ATOM 88 CZ ARG B 7 -2.215 -6.497 2.777 1.00 0.93 C ATOM 89 NH1 ARG B 7 -2.834 -7.638 2.592 1.00 1.08 N ATOM 90 NH2 ARG B 7 -2.901 -5.398 2.923 1.00 1.61 N ATOM 0 H ARG B 7 3.010 -9.509 -0.426 1.00 0.61 H new ATOM 0 HA ARG B 7 0.251 -9.489 -1.191 1.00 0.80 H new ATOM 0 HB2 ARG B 7 1.114 -9.772 1.119 1.00 1.16 H new ATOM 0 HB3 ARG B 7 1.912 -8.213 1.054 1.00 1.16 H new ATOM 0 HG2 ARG B 7 -0.465 -7.213 0.584 1.00 1.10 H new ATOM 0 HG3 ARG B 7 -1.090 -8.769 1.095 1.00 1.10 H new ATOM 0 HD2 ARG B 7 -0.425 -8.460 3.333 1.00 0.92 H new ATOM 0 HD3 ARG B 7 0.959 -7.475 2.902 1.00 0.92 H new ATOM 0 HE ARG B 7 -0.452 -5.542 2.961 1.00 0.41 H new ATOM 0 HH11 ARG B 7 -2.296 -8.497 2.479 1.00 1.08 H new ATOM 0 HH12 ARG B 7 -3.853 -7.666 2.561 1.00 1.08 H new ATOM 0 HH21 ARG B 7 -2.419 -4.511 3.068 1.00 1.61 H new ATOM 0 HH22 ARG B 7 -3.920 -5.425 2.893 1.00 1.61 H new ATOM 104 N ARG B 8 1.808 -6.641 -1.517 1.00 0.68 N ATOM 105 CA ARG B 8 1.644 -5.279 -2.098 1.00 0.67 C ATOM 106 C ARG B 8 1.050 -5.396 -3.487 1.00 0.48 C ATOM 107 O ARG B 8 0.190 -4.626 -3.869 1.00 0.50 O ATOM 108 CB ARG B 8 3.055 -4.696 -2.155 1.00 0.77 C ATOM 109 CG ARG B 8 2.998 -3.188 -1.911 1.00 0.73 C ATOM 110 CD ARG B 8 2.891 -2.912 -0.408 1.00 0.73 C ATOM 111 NE ARG B 8 4.041 -3.643 0.208 1.00 0.85 N ATOM 112 CZ ARG B 8 5.269 -3.213 0.053 1.00 1.05 C ATOM 113 NH1 ARG B 8 5.515 -2.134 -0.640 1.00 1.43 N ATOM 114 NH2 ARG B 8 6.256 -3.869 0.598 1.00 1.16 N ATOM 0 H ARG B 8 2.755 -6.871 -1.214 1.00 0.68 H new ATOM 0 HA ARG B 8 0.978 -4.646 -1.512 1.00 0.67 H new ATOM 0 HB2 ARG B 8 3.686 -5.172 -1.405 1.00 0.77 H new ATOM 0 HB3 ARG B 8 3.505 -4.900 -3.127 1.00 0.77 H new ATOM 0 HG2 ARG B 8 3.890 -2.710 -2.316 1.00 0.73 H new ATOM 0 HG3 ARG B 8 2.142 -2.758 -2.431 1.00 0.73 H new ATOM 0 HD2 ARG B 8 2.946 -1.844 -0.199 1.00 0.73 H new ATOM 0 HD3 ARG B 8 1.940 -3.266 -0.009 1.00 0.73 H new ATOM 0 HE ARG B 8 3.867 -4.486 0.755 1.00 0.85 H new ATOM 0 HH11 ARG B 8 4.747 -1.616 -1.067 1.00 1.43 H new ATOM 0 HH12 ARG B 8 6.475 -1.809 -0.754 1.00 1.43 H new ATOM 0 HH21 ARG B 8 6.070 -4.712 1.141 1.00 1.16 H new ATOM 0 HH22 ARG B 8 7.214 -3.539 0.481 1.00 1.16 H new ATOM 128 N GLU B 9 1.457 -6.381 -4.231 1.00 0.38 N ATOM 129 CA GLU B 9 0.853 -6.560 -5.576 1.00 0.34 C ATOM 130 C GLU B 9 -0.630 -6.826 -5.367 1.00 0.31 C ATOM 131 O GLU B 9 -1.472 -6.418 -6.144 1.00 0.34 O ATOM 132 CB GLU B 9 1.559 -7.764 -6.200 1.00 0.40 C ATOM 133 CG GLU B 9 3.055 -7.462 -6.347 1.00 0.59 C ATOM 134 CD GLU B 9 3.469 -7.611 -7.813 1.00 1.24 C ATOM 135 OE1 GLU B 9 2.746 -7.123 -8.665 1.00 1.88 O ATOM 136 OE2 GLU B 9 4.503 -8.213 -8.058 1.00 1.73 O ATOM 0 H GLU B 9 2.171 -7.061 -3.972 1.00 0.38 H new ATOM 0 HA GLU B 9 0.963 -5.694 -6.229 1.00 0.34 H new ATOM 0 HB2 GLU B 9 1.415 -8.646 -5.576 1.00 0.40 H new ATOM 0 HB3 GLU B 9 1.125 -7.988 -7.175 1.00 0.40 H new ATOM 0 HG2 GLU B 9 3.268 -6.451 -6.000 1.00 0.59 H new ATOM 0 HG3 GLU B 9 3.636 -8.142 -5.724 1.00 0.59 H new ATOM 143 N ARG B 10 -0.950 -7.459 -4.273 1.00 0.31 N ATOM 144 CA ARG B 10 -2.369 -7.706 -3.942 1.00 0.38 C ATOM 145 C ARG B 10 -2.967 -6.406 -3.418 1.00 0.35 C ATOM 146 O ARG B 10 -4.171 -6.252 -3.337 1.00 0.40 O ATOM 147 CB ARG B 10 -2.353 -8.779 -2.852 1.00 0.46 C ATOM 148 CG ARG B 10 -2.983 -10.066 -3.387 1.00 0.73 C ATOM 149 CD ARG B 10 -2.416 -11.266 -2.625 1.00 0.67 C ATOM 150 NE ARG B 10 -2.959 -12.465 -3.327 1.00 1.55 N ATOM 151 CZ ARG B 10 -2.881 -13.652 -2.775 1.00 2.12 C ATOM 152 NH1 ARG B 10 -2.324 -13.809 -1.601 1.00 2.20 N ATOM 153 NH2 ARG B 10 -3.361 -14.690 -3.405 1.00 3.14 N ATOM 0 H ARG B 10 -0.279 -7.816 -3.593 1.00 0.31 H new ATOM 0 HA ARG B 10 -2.962 -8.033 -4.796 1.00 0.38 H new ATOM 0 HB2 ARG B 10 -1.329 -8.970 -2.531 1.00 0.46 H new ATOM 0 HB3 ARG B 10 -2.902 -8.431 -1.977 1.00 0.46 H new ATOM 0 HG2 ARG B 10 -4.066 -10.028 -3.273 1.00 0.73 H new ATOM 0 HG3 ARG B 10 -2.778 -10.168 -4.453 1.00 0.73 H new ATOM 0 HD2 ARG B 10 -1.326 -11.262 -2.638 1.00 0.67 H new ATOM 0 HD3 ARG B 10 -2.722 -11.249 -1.579 1.00 0.67 H new ATOM 0 HE ARG B 10 -3.394 -12.361 -4.244 1.00 1.55 H new ATOM 0 HH11 ARG B 10 -1.944 -13.003 -1.105 1.00 2.20 H new ATOM 0 HH12 ARG B 10 -2.270 -14.738 -1.182 1.00 2.20 H new ATOM 0 HH21 ARG B 10 -3.794 -14.575 -4.321 1.00 3.14 H new ATOM 0 HH22 ARG B 10 -3.303 -15.616 -2.981 1.00 3.14 H new ATOM 167 N ARG B 11 -2.130 -5.457 -3.076 1.00 0.29 N ATOM 168 CA ARG B 11 -2.650 -4.166 -2.579 1.00 0.29 C ATOM 169 C ARG B 11 -2.777 -3.175 -3.728 1.00 0.24 C ATOM 170 O ARG B 11 -3.172 -2.048 -3.525 1.00 0.25 O ATOM 171 CB ARG B 11 -1.632 -3.665 -1.556 1.00 0.32 C ATOM 172 CG ARG B 11 -1.607 -4.595 -0.329 1.00 0.41 C ATOM 173 CD ARG B 11 -3.027 -4.774 0.219 1.00 0.55 C ATOM 174 NE ARG B 11 -3.234 -6.252 0.235 1.00 1.59 N ATOM 175 CZ ARG B 11 -4.438 -6.762 0.343 1.00 2.18 C ATOM 176 NH1 ARG B 11 -5.488 -5.989 0.440 1.00 3.24 N ATOM 177 NH2 ARG B 11 -4.589 -8.058 0.354 1.00 1.76 N ATOM 0 H ARG B 11 -1.114 -5.529 -3.123 1.00 0.29 H new ATOM 0 HA ARG B 11 -3.639 -4.277 -2.134 1.00 0.29 H new ATOM 0 HB2 ARG B 11 -0.642 -3.622 -2.009 1.00 0.32 H new ATOM 0 HB3 ARG B 11 -1.885 -2.651 -1.247 1.00 0.32 H new ATOM 0 HG2 ARG B 11 -1.189 -5.563 -0.604 1.00 0.41 H new ATOM 0 HG3 ARG B 11 -0.960 -4.177 0.442 1.00 0.41 H new ATOM 0 HD2 ARG B 11 -3.124 -4.348 1.218 1.00 0.55 H new ATOM 0 HD3 ARG B 11 -3.763 -4.276 -0.413 1.00 0.55 H new ATOM 0 HE ARG B 11 -2.429 -6.874 0.161 1.00 1.59 H new ATOM 0 HH11 ARG B 11 -5.377 -4.975 0.432 1.00 3.24 H new ATOM 0 HH12 ARG B 11 -6.418 -6.400 0.523 1.00 3.24 H new ATOM 0 HH21 ARG B 11 -3.774 -8.667 0.279 1.00 1.76 H new ATOM 0 HH22 ARG B 11 -5.522 -8.462 0.438 1.00 1.76 H new ATOM 191 N ALA B 12 -2.474 -3.577 -4.939 1.00 0.24 N ATOM 192 CA ALA B 12 -2.628 -2.621 -6.078 1.00 0.28 C ATOM 193 C ALA B 12 -4.059 -2.087 -6.058 1.00 0.31 C ATOM 194 O ALA B 12 -4.332 -0.981 -6.482 1.00 0.33 O ATOM 195 CB ALA B 12 -2.367 -3.443 -7.340 1.00 0.34 C ATOM 0 H ALA B 12 -2.134 -4.507 -5.184 1.00 0.24 H new ATOM 0 HA ALA B 12 -1.947 -1.771 -6.026 1.00 0.28 H new ATOM 0 HB1 ALA B 12 -2.463 -2.803 -8.217 1.00 0.34 H new ATOM 0 HB2 ALA B 12 -1.360 -3.858 -7.302 1.00 0.34 H new ATOM 0 HB3 ALA B 12 -3.092 -4.255 -7.402 1.00 0.34 H new ATOM 201 N GLU B 13 -4.969 -2.863 -5.523 1.00 0.34 N ATOM 202 CA GLU B 13 -6.376 -2.402 -5.422 1.00 0.41 C ATOM 203 C GLU B 13 -6.469 -1.396 -4.280 1.00 0.38 C ATOM 204 O GLU B 13 -7.215 -0.440 -4.341 1.00 0.42 O ATOM 205 CB GLU B 13 -7.200 -3.655 -5.120 1.00 0.48 C ATOM 206 CG GLU B 13 -7.108 -4.626 -6.299 1.00 0.52 C ATOM 207 CD GLU B 13 -7.768 -5.953 -5.919 1.00 0.77 C ATOM 208 OE1 GLU B 13 -8.877 -5.916 -5.414 1.00 1.18 O ATOM 209 OE2 GLU B 13 -7.152 -6.982 -6.139 1.00 1.15 O ATOM 0 H GLU B 13 -4.792 -3.797 -5.153 1.00 0.34 H new ATOM 0 HA GLU B 13 -6.736 -1.917 -6.329 1.00 0.41 H new ATOM 0 HB2 GLU B 13 -6.833 -4.134 -4.212 1.00 0.48 H new ATOM 0 HB3 GLU B 13 -8.240 -3.384 -4.939 1.00 0.48 H new ATOM 0 HG2 GLU B 13 -7.600 -4.200 -7.174 1.00 0.52 H new ATOM 0 HG3 GLU B 13 -6.065 -4.790 -6.568 1.00 0.52 H new ATOM 216 N LYS B 14 -5.680 -1.584 -3.250 1.00 0.33 N ATOM 217 CA LYS B 14 -5.688 -0.611 -2.126 1.00 0.33 C ATOM 218 C LYS B 14 -4.859 0.595 -2.561 1.00 0.28 C ATOM 219 O LYS B 14 -5.150 1.730 -2.242 1.00 0.30 O ATOM 220 CB LYS B 14 -5.020 -1.344 -0.961 1.00 0.31 C ATOM 221 CG LYS B 14 -5.849 -2.572 -0.580 1.00 0.38 C ATOM 222 CD LYS B 14 -7.226 -2.132 -0.072 1.00 1.23 C ATOM 223 CE LYS B 14 -8.320 -2.789 -0.916 1.00 1.37 C ATOM 224 NZ LYS B 14 -9.382 -1.753 -1.044 1.00 1.83 N ATOM 0 H LYS B 14 -5.035 -2.367 -3.144 1.00 0.33 H new ATOM 0 HA LYS B 14 -6.682 -0.264 -1.844 1.00 0.33 H new ATOM 0 HB2 LYS B 14 -4.011 -1.647 -1.240 1.00 0.31 H new ATOM 0 HB3 LYS B 14 -4.927 -0.676 -0.104 1.00 0.31 H new ATOM 0 HG2 LYS B 14 -5.962 -3.228 -1.443 1.00 0.38 H new ATOM 0 HG3 LYS B 14 -5.333 -3.145 0.190 1.00 0.38 H new ATOM 0 HD2 LYS B 14 -7.344 -2.411 0.975 1.00 1.23 H new ATOM 0 HD3 LYS B 14 -7.314 -1.047 -0.125 1.00 1.23 H new ATOM 0 HE2 LYS B 14 -7.939 -3.087 -1.893 1.00 1.37 H new ATOM 0 HE3 LYS B 14 -8.703 -3.689 -0.435 1.00 1.37 H new ATOM 0 HZ1 LYS B 14 -10.168 -2.130 -1.611 1.00 1.83 H new ATOM 0 HZ2 LYS B 14 -9.730 -1.494 -0.099 1.00 1.83 H new ATOM 0 HZ3 LYS B 14 -8.991 -0.911 -1.512 1.00 1.83 H new ATOM 238 N GLN B 15 -3.833 0.324 -3.314 1.00 0.25 N ATOM 239 CA GLN B 15 -2.945 1.393 -3.834 1.00 0.24 C ATOM 240 C GLN B 15 -3.683 2.207 -4.892 1.00 0.28 C ATOM 241 O GLN B 15 -3.718 3.415 -4.843 1.00 0.28 O ATOM 242 CB GLN B 15 -1.779 0.627 -4.466 1.00 0.24 C ATOM 243 CG GLN B 15 -0.536 0.776 -3.594 1.00 0.25 C ATOM 244 CD GLN B 15 0.359 -0.447 -3.786 1.00 0.30 C ATOM 245 OE1 GLN B 15 1.429 -0.353 -4.356 1.00 0.35 O ATOM 246 NE2 GLN B 15 -0.041 -1.602 -3.330 1.00 0.33 N ATOM 0 H GLN B 15 -3.568 -0.619 -3.597 1.00 0.25 H new ATOM 0 HA GLN B 15 -2.618 2.092 -3.064 1.00 0.24 H new ATOM 0 HB2 GLN B 15 -2.037 -0.427 -4.571 1.00 0.24 H new ATOM 0 HB3 GLN B 15 -1.581 1.008 -5.468 1.00 0.24 H new ATOM 0 HG2 GLN B 15 0.005 1.684 -3.862 1.00 0.25 H new ATOM 0 HG3 GLN B 15 -0.821 0.873 -2.546 1.00 0.25 H new ATOM 0 HE21 GLN B 15 -0.939 -1.678 -2.852 1.00 0.33 H new ATOM 0 HE22 GLN B 15 0.544 -2.429 -3.451 1.00 0.33 H new ATOM 255 N ALA B 16 -4.277 1.549 -5.844 1.00 0.35 N ATOM 256 CA ALA B 16 -5.020 2.293 -6.903 1.00 0.41 C ATOM 257 C ALA B 16 -6.254 2.953 -6.294 1.00 0.40 C ATOM 258 O ALA B 16 -6.722 3.967 -6.775 1.00 0.43 O ATOM 259 CB ALA B 16 -5.417 1.241 -7.938 1.00 0.48 C ATOM 0 H ALA B 16 -4.283 0.533 -5.938 1.00 0.35 H new ATOM 0 HA ALA B 16 -4.422 3.084 -7.355 1.00 0.41 H new ATOM 0 HB1 ALA B 16 -5.968 1.718 -8.748 1.00 0.48 H new ATOM 0 HB2 ALA B 16 -4.520 0.768 -8.338 1.00 0.48 H new ATOM 0 HB3 ALA B 16 -6.046 0.486 -7.466 1.00 0.48 H new ATOM 265 N GLN B 17 -6.766 2.413 -5.218 1.00 0.40 N ATOM 266 CA GLN B 17 -7.945 3.054 -4.574 1.00 0.42 C ATOM 267 C GLN B 17 -7.437 4.223 -3.746 1.00 0.37 C ATOM 268 O GLN B 17 -8.063 5.261 -3.648 1.00 0.40 O ATOM 269 CB GLN B 17 -8.564 1.977 -3.682 1.00 0.45 C ATOM 270 CG GLN B 17 -9.480 1.083 -4.520 1.00 0.53 C ATOM 271 CD GLN B 17 -10.922 1.583 -4.410 1.00 0.66 C ATOM 272 OE1 GLN B 17 -11.350 2.411 -5.189 1.00 1.06 O ATOM 273 NE2 GLN B 17 -11.693 1.111 -3.470 1.00 1.33 N ATOM 0 H GLN B 17 -6.422 1.567 -4.764 1.00 0.40 H new ATOM 0 HA GLN B 17 -8.682 3.428 -5.285 1.00 0.42 H new ATOM 0 HB2 GLN B 17 -7.779 1.379 -3.219 1.00 0.45 H new ATOM 0 HB3 GLN B 17 -9.131 2.440 -2.874 1.00 0.45 H new ATOM 0 HG2 GLN B 17 -9.160 1.091 -5.562 1.00 0.53 H new ATOM 0 HG3 GLN B 17 -9.414 0.051 -4.174 1.00 0.53 H new ATOM 0 HE21 GLN B 17 -11.333 0.416 -2.816 1.00 1.33 H new ATOM 0 HE22 GLN B 17 -12.656 1.437 -3.389 1.00 1.33 H new ATOM 282 N TRP B 18 -6.277 4.060 -3.180 1.00 0.32 N ATOM 283 CA TRP B 18 -5.667 5.150 -2.384 1.00 0.30 C ATOM 284 C TRP B 18 -5.086 6.186 -3.339 1.00 0.31 C ATOM 285 O TRP B 18 -5.287 7.375 -3.197 1.00 0.35 O ATOM 286 CB TRP B 18 -4.533 4.479 -1.611 1.00 0.25 C ATOM 287 CG TRP B 18 -3.721 5.533 -0.936 1.00 0.24 C ATOM 288 CD1 TRP B 18 -3.843 5.944 0.342 1.00 0.30 C ATOM 289 CD2 TRP B 18 -2.661 6.321 -1.515 1.00 0.24 C ATOM 290 NE1 TRP B 18 -2.919 6.953 0.571 1.00 0.31 N ATOM 291 CE2 TRP B 18 -2.163 7.210 -0.546 1.00 0.29 C ATOM 292 CE3 TRP B 18 -2.093 6.337 -2.781 1.00 0.28 C ATOM 293 CZ2 TRP B 18 -1.127 8.092 -0.837 1.00 0.34 C ATOM 294 CZ3 TRP B 18 -1.062 7.209 -3.081 1.00 0.36 C ATOM 295 CH2 TRP B 18 -0.575 8.086 -2.119 1.00 0.38 C ATOM 0 H TRP B 18 -5.721 3.207 -3.237 1.00 0.32 H new ATOM 0 HA TRP B 18 -6.380 5.646 -1.725 1.00 0.30 H new ATOM 0 HB2 TRP B 18 -4.938 3.785 -0.874 1.00 0.25 H new ATOM 0 HB3 TRP B 18 -3.908 3.897 -2.288 1.00 0.25 H new ATOM 0 HD1 TRP B 18 -4.543 5.553 1.066 1.00 0.30 H new ATOM 0 HE1 TRP B 18 -2.814 7.443 1.459 1.00 0.31 H new ATOM 0 HE3 TRP B 18 -2.460 5.662 -3.540 1.00 0.28 H new ATOM 0 HZ2 TRP B 18 -0.756 8.770 -0.083 1.00 0.34 H new ATOM 0 HZ3 TRP B 18 -0.632 7.208 -4.072 1.00 0.36 H new ATOM 0 HH2 TRP B 18 0.230 8.763 -2.363 1.00 0.38 H new ATOM 306 N LYS B 19 -4.363 5.719 -4.312 1.00 0.30 N ATOM 307 CA LYS B 19 -3.740 6.633 -5.303 1.00 0.37 C ATOM 308 C LYS B 19 -4.839 7.416 -5.988 1.00 0.46 C ATOM 309 O LYS B 19 -4.683 8.573 -6.327 1.00 0.70 O ATOM 310 CB LYS B 19 -3.019 5.730 -6.306 1.00 0.40 C ATOM 311 CG LYS B 19 -1.688 5.244 -5.726 1.00 0.49 C ATOM 312 CD LYS B 19 -0.853 4.600 -6.835 1.00 0.96 C ATOM 313 CE LYS B 19 0.018 3.491 -6.241 1.00 1.30 C ATOM 314 NZ LYS B 19 0.917 3.072 -7.352 1.00 1.92 N ATOM 0 H LYS B 19 -4.174 4.728 -4.465 1.00 0.30 H new ATOM 0 HA LYS B 19 -3.046 7.341 -4.850 1.00 0.37 H new ATOM 0 HB2 LYS B 19 -3.649 4.875 -6.554 1.00 0.40 H new ATOM 0 HB3 LYS B 19 -2.842 6.275 -7.233 1.00 0.40 H new ATOM 0 HG2 LYS B 19 -1.144 6.080 -5.285 1.00 0.49 H new ATOM 0 HG3 LYS B 19 -1.868 4.524 -4.927 1.00 0.49 H new ATOM 0 HD2 LYS B 19 -1.506 4.190 -7.605 1.00 0.96 H new ATOM 0 HD3 LYS B 19 -0.226 5.351 -7.315 1.00 0.96 H new ATOM 0 HE2 LYS B 19 0.589 3.853 -5.386 1.00 1.30 H new ATOM 0 HE3 LYS B 19 -0.590 2.657 -5.889 1.00 1.30 H new ATOM 0 HZ1 LYS B 19 1.746 2.581 -6.961 1.00 1.92 H new ATOM 0 HZ2 LYS B 19 0.404 2.431 -7.990 1.00 1.92 H new ATOM 0 HZ3 LYS B 19 1.229 3.911 -7.881 1.00 1.92 H new ATOM 328 N ALA B 20 -5.964 6.790 -6.182 1.00 0.44 N ATOM 329 CA ALA B 20 -7.084 7.501 -6.833 1.00 0.52 C ATOM 330 C ALA B 20 -7.497 8.700 -5.979 1.00 0.56 C ATOM 331 O ALA B 20 -7.960 9.705 -6.483 1.00 0.74 O ATOM 332 CB ALA B 20 -8.222 6.491 -6.908 1.00 0.55 C ATOM 0 H ALA B 20 -6.151 5.823 -5.918 1.00 0.44 H new ATOM 0 HA ALA B 20 -6.814 7.875 -7.821 1.00 0.52 H new ATOM 0 HB1 ALA B 20 -9.088 6.953 -7.382 1.00 0.55 H new ATOM 0 HB2 ALA B 20 -7.905 5.628 -7.494 1.00 0.55 H new ATOM 0 HB3 ALA B 20 -8.488 6.168 -5.902 1.00 0.55 H new ATOM 338 N ALA B 21 -7.331 8.596 -4.687 1.00 0.54 N ATOM 339 CA ALA B 21 -7.710 9.728 -3.796 1.00 0.66 C ATOM 340 C ALA B 21 -6.493 10.237 -3.036 1.00 0.73 C ATOM 341 O ALA B 21 -6.598 10.793 -1.959 1.00 0.99 O ATOM 342 CB ALA B 21 -8.754 9.157 -2.838 1.00 0.71 C ATOM 0 H ALA B 21 -6.950 7.777 -4.212 1.00 0.54 H new ATOM 0 HA ALA B 21 -8.103 10.576 -4.356 1.00 0.66 H new ATOM 0 HB1 ALA B 21 -9.081 9.936 -2.149 1.00 0.71 H new ATOM 0 HB2 ALA B 21 -9.610 8.793 -3.407 1.00 0.71 H new ATOM 0 HB3 ALA B 21 -8.317 8.333 -2.273 1.00 0.71 H new ATOM 348 N ASN B 22 -5.344 10.072 -3.613 1.00 0.73 N ATOM 349 CA ASN B 22 -4.092 10.562 -2.967 1.00 0.88 C ATOM 350 C ASN B 22 -3.018 10.844 -4.023 1.00 1.08 C ATOM 351 O ASN B 22 -1.898 10.388 -3.904 1.00 0.00 O ATOM 352 CB ASN B 22 -3.630 9.453 -2.030 1.00 0.93 C ATOM 353 CG ASN B 22 -4.640 9.287 -0.897 1.00 0.94 C ATOM 354 OD1 ASN B 22 -4.907 10.215 -0.160 1.00 1.13 O ATOM 355 ND2 ASN B 22 -5.213 8.135 -0.731 1.00 0.94 N ATOM 0 H ASN B 22 -5.211 9.614 -4.515 1.00 0.73 H new ATOM 0 HA ASN B 22 -4.268 11.492 -2.426 1.00 0.88 H new ATOM 0 HB2 ASN B 22 -3.528 8.517 -2.580 1.00 0.93 H new ATOM 0 HB3 ASN B 22 -2.648 9.692 -1.623 1.00 0.93 H new ATOM 0 HD21 ASN B 22 -5.890 8.006 0.021 1.00 0.94 H new ATOM 0 HD22 ASN B 22 -4.986 7.358 -1.352 1.00 0.94 H new ATOM 362 N PRO B 23 -3.390 11.616 -5.008 1.00 0.00 N ATOM 363 CA PRO B 23 -2.443 11.994 -6.072 1.00 0.00 C ATOM 364 C PRO B 23 -1.426 12.946 -5.460 1.00 0.00 C ATOM 365 O PRO B 23 -0.279 12.998 -5.852 1.00 0.00 O ATOM 366 CB PRO B 23 -3.319 12.685 -7.114 1.00 0.00 C ATOM 367 CG PRO B 23 -4.505 13.170 -6.349 1.00 0.00 C ATOM 368 CD PRO B 23 -4.705 12.210 -5.206 1.00 0.00 C ATOM 0 HA PRO B 23 -1.891 11.166 -6.517 1.00 0.00 H new ATOM 0 HB2 PRO B 23 -2.791 13.510 -7.591 1.00 0.00 H new ATOM 0 HB3 PRO B 23 -3.613 11.995 -7.905 1.00 0.00 H new ATOM 0 HG2 PRO B 23 -4.340 14.182 -5.980 1.00 0.00 H new ATOM 0 HG3 PRO B 23 -5.389 13.203 -6.986 1.00 0.00 H new ATOM 0 HD2 PRO B 23 -5.049 12.724 -4.309 1.00 0.00 H new ATOM 0 HD3 PRO B 23 -5.452 11.454 -5.447 1.00 0.00 H new ATOM 376 N LEU B 24 -1.846 13.678 -4.461 1.00 0.00 N ATOM 377 CA LEU B 24 -0.912 14.612 -3.767 1.00 0.00 C ATOM 378 C LEU B 24 0.287 13.813 -3.258 1.00 0.00 C ATOM 379 O LEU B 24 1.414 14.266 -3.277 1.00 0.00 O ATOM 380 CB LEU B 24 -1.737 15.212 -2.608 1.00 0.00 C ATOM 381 CG LEU B 24 -1.617 14.359 -1.326 1.00 0.00 C ATOM 382 CD1 LEU B 24 -2.144 15.165 -0.137 1.00 0.00 C ATOM 383 CD2 LEU B 24 -2.439 13.064 -1.457 1.00 0.00 C ATOM 0 H LEU B 24 -2.798 13.669 -4.095 1.00 0.00 H new ATOM 0 HA LEU B 24 -0.522 15.401 -4.409 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -1.395 16.227 -2.404 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -2.784 15.281 -2.903 1.00 0.00 H new ATOM 0 HG LEU B 24 -0.569 14.098 -1.175 1.00 0.00 H new ATOM 0 HD11 LEU B 24 -2.062 14.569 0.772 1.00 0.00 H new ATOM 0 HD12 LEU B 24 -1.557 16.077 -0.027 1.00 0.00 H new ATOM 0 HD13 LEU B 24 -3.189 15.425 -0.308 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -2.341 12.477 -0.544 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -3.488 13.313 -1.618 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -2.071 12.483 -2.303 1.00 0.00 H new ATOM 395 N LEU B 25 0.037 12.602 -2.849 1.00 0.00 N ATOM 396 CA LEU B 25 1.132 11.716 -2.383 1.00 0.00 C ATOM 397 C LEU B 25 1.476 10.792 -3.538 1.00 0.00 C ATOM 398 O LEU B 25 1.850 9.648 -3.373 1.00 0.00 O ATOM 399 CB LEU B 25 0.535 10.937 -1.212 1.00 0.00 C ATOM 400 CG LEU B 25 0.708 11.738 0.079 1.00 0.00 C ATOM 401 CD1 LEU B 25 -0.241 11.196 1.148 1.00 0.00 C ATOM 402 CD2 LEU B 25 2.152 11.608 0.568 1.00 0.00 C ATOM 0 H LEU B 25 -0.893 12.185 -2.818 1.00 0.00 H new ATOM 0 HA LEU B 25 2.037 12.239 -2.074 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -0.522 10.743 -1.393 1.00 0.00 H new ATOM 0 HB3 LEU B 25 1.025 9.968 -1.119 1.00 0.00 H new ATOM 0 HG LEU B 25 0.480 12.787 -0.111 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -0.117 11.767 2.068 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -1.270 11.286 0.800 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -0.013 10.147 1.339 1.00 0.00 H new ATOM 0 HD21 LEU B 25 2.277 12.178 1.488 1.00 0.00 H new ATOM 0 HD22 LEU B 25 2.379 10.559 0.758 1.00 0.00 H new ATOM 0 HD23 LEU B 25 2.830 11.994 -0.193 1.00 0.00 H new ATOM 414 N VAL B 26 1.314 11.308 -4.715 1.00 0.00 N ATOM 415 CA VAL B 26 1.570 10.530 -5.944 1.00 0.00 C ATOM 416 C VAL B 26 2.043 11.490 -7.033 1.00 0.00 C ATOM 417 O VAL B 26 1.319 12.372 -7.452 1.00 0.00 O ATOM 418 CB VAL B 26 0.202 9.909 -6.258 1.00 0.00 C ATOM 419 CG1 VAL B 26 -0.152 10.090 -7.736 1.00 0.00 C ATOM 420 CG2 VAL B 26 0.261 8.425 -5.917 1.00 0.00 C ATOM 0 H VAL B 26 1.005 12.266 -4.879 1.00 0.00 H new ATOM 0 HA VAL B 26 2.340 9.764 -5.857 1.00 0.00 H new ATOM 0 HB VAL B 26 -0.567 10.405 -5.666 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -1.126 9.642 -7.934 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -0.186 11.153 -7.974 1.00 0.00 H new ATOM 0 HG13 VAL B 26 0.604 9.604 -8.353 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -0.703 7.963 -6.133 1.00 0.00 H new ATOM 0 HG22 VAL B 26 1.036 7.945 -6.515 1.00 0.00 H new ATOM 0 HG23 VAL B 26 0.492 8.304 -4.859 1.00 0.00 H new ATOM 430 N GLY B 27 3.255 11.351 -7.471 1.00 0.00 N ATOM 431 CA GLY B 27 3.775 12.292 -8.502 1.00 0.00 C ATOM 432 C GLY B 27 4.036 13.637 -7.819 1.00 0.00 C ATOM 433 O GLY B 27 5.156 14.104 -7.751 1.00 0.00 O ATOM 0 H GLY B 27 3.910 10.631 -7.165 1.00 0.00 H new ATOM 0 HA2 GLY B 27 4.692 11.904 -8.945 1.00 0.00 H new ATOM 0 HA3 GLY B 27 3.054 12.408 -9.311 1.00 0.00 H new ATOM 437 N VAL B 28 3.006 14.250 -7.286 1.00 0.00 N ATOM 438 CA VAL B 28 3.189 15.550 -6.575 1.00 0.00 C ATOM 439 C VAL B 28 4.083 15.336 -5.353 1.00 0.00 C ATOM 440 O VAL B 28 4.175 14.242 -4.829 1.00 0.00 O ATOM 441 CB VAL B 28 1.781 15.971 -6.143 1.00 0.00 C ATOM 442 CG1 VAL B 28 1.857 17.267 -5.329 1.00 0.00 C ATOM 443 CG2 VAL B 28 0.917 16.203 -7.384 1.00 0.00 C ATOM 0 H VAL B 28 2.047 13.904 -7.314 1.00 0.00 H new ATOM 0 HA VAL B 28 3.661 16.309 -7.199 1.00 0.00 H new ATOM 0 HB VAL B 28 1.341 15.184 -5.531 1.00 0.00 H new ATOM 0 HG11 VAL B 28 0.854 17.564 -5.023 1.00 0.00 H new ATOM 0 HG12 VAL B 28 2.473 17.105 -4.444 1.00 0.00 H new ATOM 0 HG13 VAL B 28 2.298 18.055 -5.940 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -0.085 16.503 -7.079 1.00 0.00 H new ATOM 0 HG22 VAL B 28 1.361 16.990 -7.994 1.00 0.00 H new ATOM 0 HG23 VAL B 28 0.859 15.282 -7.965 1.00 0.00 H new ATOM 453 N SER B 29 4.748 16.364 -4.897 1.00 0.00 N ATOM 454 CA SER B 29 5.642 16.211 -3.710 1.00 0.00 C ATOM 455 C SER B 29 6.607 15.045 -3.930 1.00 0.00 C ATOM 456 O SER B 29 6.731 14.533 -5.026 1.00 0.00 O ATOM 457 CB SER B 29 4.709 15.916 -2.535 1.00 0.00 C ATOM 458 OG SER B 29 4.291 17.141 -1.947 1.00 0.00 O ATOM 0 H SER B 29 4.712 17.303 -5.294 1.00 0.00 H new ATOM 0 HA SER B 29 6.245 17.101 -3.533 1.00 0.00 H new ATOM 0 HB2 SER B 29 3.843 15.349 -2.877 1.00 0.00 H new ATOM 0 HB3 SER B 29 5.221 15.300 -1.795 1.00 0.00 H new ATOM 0 HG SER B 29 3.691 16.955 -1.195 1.00 0.00 H new ATOM 464 N ALA B 30 7.289 14.621 -2.901 1.00 0.00 N ATOM 465 CA ALA B 30 8.247 13.483 -3.051 1.00 0.00 C ATOM 466 C ALA B 30 9.199 13.748 -4.220 1.00 0.00 C ATOM 467 O ALA B 30 9.039 13.213 -5.299 1.00 0.00 O ATOM 468 CB ALA B 30 7.375 12.258 -3.332 1.00 0.00 C ATOM 0 H ALA B 30 7.226 15.012 -1.961 1.00 0.00 H new ATOM 0 HA ALA B 30 8.864 13.343 -2.163 1.00 0.00 H new ATOM 0 HB1 ALA B 30 8.009 11.380 -3.454 1.00 0.00 H new ATOM 0 HB2 ALA B 30 6.692 12.099 -2.498 1.00 0.00 H new ATOM 0 HB3 ALA B 30 6.802 12.421 -4.244 1.00 0.00 H new ATOM 474 N LYS B 31 10.186 14.573 -4.007 1.00 0.00 N ATOM 475 CA LYS B 31 11.153 14.884 -5.094 1.00 0.00 C ATOM 476 C LYS B 31 12.574 14.630 -4.587 1.00 0.00 C ATOM 477 O LYS B 31 12.783 14.491 -3.398 1.00 0.00 O ATOM 478 CB LYS B 31 10.938 16.369 -5.398 1.00 0.00 C ATOM 479 CG LYS B 31 9.550 16.571 -6.017 1.00 0.00 C ATOM 480 CD LYS B 31 9.486 17.939 -6.706 1.00 0.00 C ATOM 481 CE LYS B 31 8.460 18.830 -5.997 1.00 0.00 C ATOM 482 NZ LYS B 31 7.296 18.891 -6.927 1.00 0.00 N ATOM 0 H LYS B 31 10.364 15.047 -3.122 1.00 0.00 H new ATOM 0 HA LYS B 31 11.010 14.271 -5.984 1.00 0.00 H new ATOM 0 HB2 LYS B 31 11.028 16.955 -4.483 1.00 0.00 H new ATOM 0 HB3 LYS B 31 11.708 16.726 -6.082 1.00 0.00 H new ATOM 0 HG2 LYS B 31 9.344 15.780 -6.738 1.00 0.00 H new ATOM 0 HG3 LYS B 31 8.784 16.506 -5.245 1.00 0.00 H new ATOM 0 HD2 LYS B 31 10.468 18.413 -6.686 1.00 0.00 H new ATOM 0 HD3 LYS B 31 9.212 17.816 -7.754 1.00 0.00 H new ATOM 0 HE2 LYS B 31 8.173 18.411 -5.032 1.00 0.00 H new ATOM 0 HE3 LYS B 31 8.865 19.824 -5.806 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 6.550 19.484 -6.511 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 7.598 19.300 -7.834 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 6.927 17.931 -7.085 1.00 0.00 H new ATOM 496 N PRO B 32 13.508 14.565 -5.497 1.00 0.00 N ATOM 497 CA PRO B 32 14.911 14.314 -5.103 1.00 0.00 C ATOM 498 C PRO B 32 15.497 15.532 -4.385 1.00 0.00 C ATOM 499 O PRO B 32 16.348 16.224 -4.908 1.00 0.00 O ATOM 500 CB PRO B 32 15.621 14.059 -6.430 1.00 0.00 C ATOM 501 CG PRO B 32 14.781 14.756 -7.453 1.00 0.00 C ATOM 502 CD PRO B 32 13.361 14.719 -6.951 1.00 0.00 C ATOM 0 HA PRO B 32 15.016 13.481 -4.408 1.00 0.00 H new ATOM 0 HB2 PRO B 32 16.637 14.453 -6.417 1.00 0.00 H new ATOM 0 HB3 PRO B 32 15.696 12.992 -6.640 1.00 0.00 H new ATOM 0 HG2 PRO B 32 15.115 15.784 -7.592 1.00 0.00 H new ATOM 0 HG3 PRO B 32 14.862 14.261 -8.421 1.00 0.00 H new ATOM 0 HD2 PRO B 32 12.823 15.633 -7.204 1.00 0.00 H new ATOM 0 HD3 PRO B 32 12.804 13.890 -7.387 1.00 0.00 H new ATOM 510 N VAL B 33 15.047 15.794 -3.187 1.00 0.00 N ATOM 511 CA VAL B 33 15.573 16.962 -2.424 1.00 0.00 C ATOM 512 C VAL B 33 16.013 16.516 -1.026 1.00 0.00 C ATOM 513 O VAL B 33 15.280 15.851 -0.319 1.00 0.00 O ATOM 514 CB VAL B 33 14.401 17.941 -2.333 1.00 0.00 C ATOM 515 CG1 VAL B 33 14.834 19.189 -1.560 1.00 0.00 C ATOM 516 CG2 VAL B 33 13.964 18.346 -3.742 1.00 0.00 C ATOM 0 H VAL B 33 14.335 15.247 -2.703 1.00 0.00 H new ATOM 0 HA VAL B 33 16.440 17.415 -2.904 1.00 0.00 H new ATOM 0 HB VAL B 33 13.570 17.462 -1.815 1.00 0.00 H new ATOM 0 HG11 VAL B 33 13.998 19.886 -1.496 1.00 0.00 H new ATOM 0 HG12 VAL B 33 15.147 18.904 -0.555 1.00 0.00 H new ATOM 0 HG13 VAL B 33 15.666 19.667 -2.077 1.00 0.00 H new ATOM 0 HG21 VAL B 33 13.129 19.044 -3.678 1.00 0.00 H new ATOM 0 HG22 VAL B 33 14.797 18.824 -4.258 1.00 0.00 H new ATOM 0 HG23 VAL B 33 13.654 17.460 -4.296 1.00 0.00 H new ATOM 526 N ASN B 34 17.202 16.875 -0.625 1.00 0.00 N ATOM 527 CA ASN B 34 17.690 16.470 0.728 1.00 0.00 C ATOM 528 C ASN B 34 16.737 16.985 1.811 1.00 0.00 C ATOM 529 O ASN B 34 16.594 18.176 2.007 1.00 0.00 O ATOM 530 CB ASN B 34 19.066 17.125 0.868 1.00 0.00 C ATOM 531 CG ASN B 34 19.779 16.563 2.100 1.00 0.00 C ATOM 532 OD1 ASN B 34 19.441 15.500 2.581 1.00 0.00 O ATOM 533 ND2 ASN B 34 20.761 17.238 2.634 1.00 0.00 N ATOM 0 H ASN B 34 17.858 17.431 -1.174 1.00 0.00 H new ATOM 0 HA ASN B 34 17.742 15.387 0.840 1.00 0.00 H new ATOM 0 HB2 ASN B 34 19.661 16.939 -0.026 1.00 0.00 H new ATOM 0 HB3 ASN B 34 18.958 18.206 0.959 1.00 0.00 H new ATOM 0 HD21 ASN B 34 21.244 16.873 3.455 1.00 0.00 H new ATOM 0 HD22 ASN B 34 21.045 18.131 2.230 1.00 0.00 H new ATOM 540 N ARG B 35 16.083 16.094 2.511 1.00 0.00 N ATOM 541 CA ARG B 35 15.134 16.525 3.583 1.00 0.00 C ATOM 542 C ARG B 35 15.813 17.521 4.535 1.00 0.00 C ATOM 543 O ARG B 35 16.671 17.146 5.310 1.00 0.00 O ATOM 544 CB ARG B 35 14.769 15.239 4.329 1.00 0.00 C ATOM 545 CG ARG B 35 13.821 14.401 3.469 1.00 0.00 C ATOM 546 CD ARG B 35 12.496 15.149 3.287 1.00 0.00 C ATOM 547 NE ARG B 35 11.441 14.103 3.427 1.00 0.00 N ATOM 548 CZ ARG B 35 11.134 13.616 4.605 1.00 0.00 C ATOM 549 NH1 ARG B 35 11.746 14.034 5.684 1.00 0.00 N ATOM 550 NH2 ARG B 35 10.206 12.703 4.703 1.00 0.00 N ATOM 0 H ARG B 35 16.165 15.085 2.387 1.00 0.00 H new ATOM 0 HA ARG B 35 14.257 17.027 3.175 1.00 0.00 H new ATOM 0 HB2 ARG B 35 15.670 14.670 4.556 1.00 0.00 H new ATOM 0 HB3 ARG B 35 14.296 15.480 5.281 1.00 0.00 H new ATOM 0 HG2 ARG B 35 14.274 14.202 2.498 1.00 0.00 H new ATOM 0 HG3 ARG B 35 13.643 13.435 3.941 1.00 0.00 H new ATOM 0 HD2 ARG B 35 12.378 15.932 4.037 1.00 0.00 H new ATOM 0 HD3 ARG B 35 12.446 15.632 2.311 1.00 0.00 H new ATOM 0 HE ARG B 35 10.954 13.763 2.598 1.00 0.00 H new ATOM 0 HH11 ARG B 35 12.472 14.747 5.615 1.00 0.00 H new ATOM 0 HH12 ARG B 35 11.497 13.646 6.594 1.00 0.00 H new ATOM 0 HH21 ARG B 35 9.725 12.373 3.866 1.00 0.00 H new ATOM 0 HH22 ARG B 35 9.962 12.320 5.616 1.00 0.00 H new ATOM 564 N PRO B 36 15.410 18.766 4.446 1.00 0.00 N ATOM 565 CA PRO B 36 15.998 19.814 5.314 1.00 0.00 C ATOM 566 C PRO B 36 15.453 19.697 6.741 1.00 0.00 C ATOM 567 O PRO B 36 14.432 19.052 6.912 1.00 0.00 O ATOM 568 CB PRO B 36 15.543 21.117 4.664 1.00 0.00 C ATOM 569 CG PRO B 36 14.296 20.769 3.914 1.00 0.00 C ATOM 570 CD PRO B 36 14.384 19.309 3.544 1.00 0.00 C ATOM 571 OXT PRO B 36 16.067 20.253 7.636 1.00 0.00 O ATOM 0 HA PRO B 36 17.082 19.741 5.397 1.00 0.00 H new ATOM 0 HB2 PRO B 36 15.350 21.884 5.414 1.00 0.00 H new ATOM 0 HB3 PRO B 36 16.308 21.511 3.995 1.00 0.00 H new ATOM 0 HG2 PRO B 36 13.414 20.957 4.527 1.00 0.00 H new ATOM 0 HG3 PRO B 36 14.201 21.386 3.021 1.00 0.00 H new ATOM 0 HD2 PRO B 36 13.427 18.806 3.681 1.00 0.00 H new ATOM 0 HD3 PRO B 36 14.665 19.180 2.499 1.00 0.00 H new TER 579 PRO B 36 ATOM 580 P G A 1 11.749 -16.393 -1.265 1.00 1.31 P ATOM 581 OP1 G A 1 11.526 -17.862 -1.284 1.00 1.51 O ATOM 582 OP2 G A 1 13.047 -15.842 -1.727 1.00 1.52 O ATOM 583 O5' G A 1 11.484 -15.873 0.218 1.00 1.09 O ATOM 584 C5' G A 1 12.142 -16.483 1.344 1.00 1.03 C ATOM 585 C4' G A 1 11.152 -17.291 2.151 1.00 0.94 C ATOM 586 O4' G A 1 11.568 -17.277 3.539 1.00 1.02 O ATOM 587 C3' G A 1 9.748 -16.716 2.196 1.00 0.80 C ATOM 588 O3' G A 1 9.008 -17.090 1.026 1.00 0.75 O ATOM 589 C2' G A 1 9.185 -17.314 3.484 1.00 0.78 C ATOM 590 O2' G A 1 8.664 -18.620 3.344 1.00 0.77 O ATOM 591 C1' G A 1 10.426 -17.360 4.374 1.00 0.90 C ATOM 592 N9 G A 1 10.445 -16.237 5.302 1.00 0.90 N ATOM 593 C8 G A 1 11.102 -15.040 5.158 1.00 0.97 C ATOM 594 N7 G A 1 10.884 -14.218 6.146 1.00 0.99 N ATOM 595 C5 G A 1 10.034 -14.918 6.993 1.00 0.90 C ATOM 596 C6 G A 1 9.440 -14.533 8.216 1.00 0.88 C ATOM 597 O6 G A 1 9.555 -13.465 8.820 1.00 0.94 O ATOM 598 N1 G A 1 8.634 -15.543 8.740 1.00 0.82 N ATOM 599 C2 G A 1 8.433 -16.767 8.149 1.00 0.81 C ATOM 600 N2 G A 1 7.626 -17.618 8.804 1.00 0.83 N ATOM 601 N3 G A 1 8.979 -17.135 7.006 1.00 0.83 N ATOM 602 C4 G A 1 9.762 -16.168 6.488 1.00 0.86 C ATOM 0 H5' G A 1 12.593 -15.714 1.972 1.00 1.03 H new ATOM 0 H5'' G A 1 12.951 -17.126 0.997 1.00 1.03 H new ATOM 0 H4' G A 1 11.134 -18.269 1.670 1.00 0.94 H new ATOM 0 H3' G A 1 9.705 -15.627 2.199 1.00 0.80 H new ATOM 0 H2' G A 1 8.343 -16.731 3.857 1.00 0.78 H new ATOM 0 HO2' G A 1 9.314 -19.183 2.875 1.00 0.77 H new ATOM 0 H1' G A 1 10.419 -18.285 4.950 1.00 0.90 H new ATOM 0 H8 G A 1 11.734 -14.804 4.314 1.00 0.97 H new ATOM 0 H1 G A 1 8.160 -15.360 9.625 1.00 0.82 H new ATOM 0 H21 G A 1 7.437 -18.542 8.416 1.00 0.83 H new ATOM 0 H22 G A 1 7.202 -17.340 9.689 1.00 0.83 H new ATOM 614 P C A 2 8.388 -18.568 0.890 1.00 0.69 P ATOM 615 OP1 C A 2 9.328 -19.516 1.541 1.00 0.82 O ATOM 616 OP2 C A 2 8.006 -18.777 -0.529 1.00 0.84 O ATOM 617 O5' C A 2 7.049 -18.489 1.750 1.00 0.58 O ATOM 618 C5' C A 2 6.405 -17.221 1.985 1.00 0.57 C ATOM 619 C4' C A 2 5.283 -17.376 2.985 1.00 0.55 C ATOM 620 O4' C A 2 5.811 -17.148 4.315 1.00 0.54 O ATOM 621 C3' C A 2 4.174 -16.349 2.830 1.00 0.51 C ATOM 622 O3' C A 2 3.192 -16.816 1.910 1.00 0.59 O ATOM 623 C2' C A 2 3.603 -16.243 4.240 1.00 0.53 C ATOM 624 O2' C A 2 2.608 -17.215 4.501 1.00 0.67 O ATOM 625 C1' C A 2 4.833 -16.504 5.114 1.00 0.51 C ATOM 626 N1 C A 2 5.431 -15.277 5.659 1.00 0.45 N ATOM 627 C2 C A 2 5.011 -14.836 6.913 1.00 0.44 C ATOM 628 O2 C A 2 4.146 -15.488 7.516 1.00 0.49 O ATOM 629 N3 C A 2 5.557 -13.716 7.437 1.00 0.43 N ATOM 630 C4 C A 2 6.486 -13.046 6.754 1.00 0.45 C ATOM 631 N4 C A 2 7.001 -11.950 7.314 1.00 0.49 N ATOM 632 C5 C A 2 6.930 -13.472 5.469 1.00 0.47 C ATOM 633 C6 C A 2 6.381 -14.584 4.962 1.00 0.46 C ATOM 0 H5' C A 2 6.013 -16.826 1.048 1.00 0.57 H new ATOM 0 H5'' C A 2 7.133 -16.499 2.355 1.00 0.57 H new ATOM 0 H4' C A 2 4.880 -18.375 2.821 1.00 0.55 H new ATOM 0 H3' C A 2 4.517 -15.391 2.439 1.00 0.51 H new ATOM 0 H2' C A 2 3.113 -15.285 4.415 1.00 0.53 H new ATOM 0 HO2' C A 2 1.724 -16.838 4.309 1.00 0.67 H new ATOM 0 H1' C A 2 4.509 -17.113 5.958 1.00 0.51 H new ATOM 0 H41 C A 2 7.714 -11.412 6.821 1.00 0.49 H new ATOM 0 H42 C A 2 6.682 -11.650 8.235 1.00 0.49 H new ATOM 0 H5 C A 2 7.681 -12.919 4.924 1.00 0.47 H new ATOM 0 H6 C A 2 6.693 -14.937 3.990 1.00 0.46 H new ATOM 645 P C A 3 1.747 -16.115 1.862 1.00 0.67 P ATOM 646 OP1 C A 3 0.867 -16.844 2.810 1.00 1.00 O ATOM 647 OP2 C A 3 1.342 -15.978 0.440 1.00 1.20 O ATOM 648 O5' C A 3 2.010 -14.658 2.449 1.00 0.89 O ATOM 649 C5' C A 3 0.970 -13.663 2.455 1.00 0.68 C ATOM 650 C4' C A 3 0.368 -13.548 3.834 1.00 0.61 C ATOM 651 O4' C A 3 1.447 -13.600 4.799 1.00 0.67 O ATOM 652 C3' C A 3 -0.319 -12.222 4.099 1.00 0.56 C ATOM 653 O3' C A 3 -1.687 -12.259 3.667 1.00 0.57 O ATOM 654 C2' C A 3 -0.171 -12.046 5.609 1.00 0.57 C ATOM 655 O2' C A 3 -1.184 -12.673 6.369 1.00 0.64 O ATOM 656 C1' C A 3 1.165 -12.739 5.886 1.00 0.62 C ATOM 657 N1 C A 3 2.273 -11.780 5.994 1.00 0.61 N ATOM 658 C2 C A 3 2.371 -10.987 7.139 1.00 0.56 C ATOM 659 O2 C A 3 1.523 -11.119 8.033 1.00 0.55 O ATOM 660 N3 C A 3 3.385 -10.098 7.243 1.00 0.58 N ATOM 661 C4 C A 3 4.277 -9.988 6.257 1.00 0.65 C ATOM 662 N4 C A 3 5.262 -9.098 6.401 1.00 0.71 N ATOM 663 C5 C A 3 4.201 -10.785 5.080 1.00 0.71 C ATOM 664 C6 C A 3 3.193 -11.661 4.990 1.00 0.68 C ATOM 0 H5' C A 3 0.197 -13.929 1.734 1.00 0.68 H new ATOM 0 H5'' C A 3 1.376 -12.700 2.146 1.00 0.68 H new ATOM 0 H4' C A 3 -0.362 -14.354 3.911 1.00 0.61 H new ATOM 0 H3' C A 3 0.112 -11.384 3.551 1.00 0.56 H new ATOM 0 H2' C A 3 -0.233 -10.994 5.889 1.00 0.57 H new ATOM 0 HO2' C A 3 -1.340 -13.577 6.023 1.00 0.64 H new ATOM 0 H1' C A 3 1.078 -13.275 6.831 1.00 0.62 H new ATOM 0 H41 C A 3 5.961 -8.988 5.667 1.00 0.71 H new ATOM 0 H42 C A 3 5.315 -8.528 7.245 1.00 0.71 H new ATOM 0 H5 C A 3 4.930 -10.687 4.289 1.00 0.71 H new ATOM 0 H6 C A 3 3.105 -12.283 4.111 1.00 0.68 H new ATOM 676 P C A 4 -2.804 -12.996 4.557 1.00 0.57 P ATOM 677 OP1 C A 4 -2.180 -14.156 5.242 1.00 0.73 O ATOM 678 OP2 C A 4 -3.985 -13.212 3.684 1.00 0.60 O ATOM 679 O5' C A 4 -3.202 -11.897 5.643 1.00 0.61 O ATOM 680 C5' C A 4 -3.105 -10.492 5.335 1.00 0.51 C ATOM 681 C4' C A 4 -3.135 -9.671 6.601 1.00 0.47 C ATOM 682 O4' C A 4 -1.856 -9.791 7.264 1.00 0.55 O ATOM 683 C3' C A 4 -3.313 -8.180 6.371 1.00 0.45 C ATOM 684 O3' C A 4 -4.702 -7.865 6.330 1.00 0.51 O ATOM 685 C2' C A 4 -2.641 -7.562 7.592 1.00 0.47 C ATOM 686 O2' C A 4 -3.513 -7.447 8.701 1.00 0.57 O ATOM 687 C1' C A 4 -1.531 -8.569 7.900 1.00 0.48 C ATOM 688 N1 C A 4 -0.215 -8.144 7.402 1.00 0.43 N ATOM 689 C2 C A 4 0.466 -7.115 8.060 1.00 0.39 C ATOM 690 O2 C A 4 -0.068 -6.563 9.035 1.00 0.43 O ATOM 691 N3 C A 4 1.685 -6.747 7.612 1.00 0.38 N ATOM 692 C4 C A 4 2.219 -7.360 6.554 1.00 0.45 C ATOM 693 N4 C A 4 3.420 -6.974 6.145 1.00 0.51 N ATOM 694 C5 C A 4 1.542 -8.401 5.866 1.00 0.51 C ATOM 695 C6 C A 4 0.340 -8.757 6.316 1.00 0.48 C ATOM 0 H5' C A 4 -3.929 -10.198 4.684 1.00 0.51 H new ATOM 0 H5'' C A 4 -2.182 -10.296 4.789 1.00 0.51 H new ATOM 0 H4' C A 4 -3.981 -10.052 7.172 1.00 0.47 H new ATOM 0 H3' C A 4 -2.890 -7.820 5.433 1.00 0.45 H new ATOM 0 H2' C A 4 -2.298 -6.545 7.402 1.00 0.47 H new ATOM 0 HO2' C A 4 -4.369 -7.876 8.490 1.00 0.57 H new ATOM 0 H1' C A 4 -1.466 -8.661 8.984 1.00 0.48 H new ATOM 0 H41 C A 4 3.853 -7.424 5.339 1.00 0.51 H new ATOM 0 H42 C A 4 3.910 -6.227 6.636 1.00 0.51 H new ATOM 0 H5 C A 4 1.985 -8.886 5.009 1.00 0.51 H new ATOM 0 H6 C A 4 -0.204 -9.543 5.814 1.00 0.48 H new ATOM 707 P U A 5 -5.208 -6.591 5.496 1.00 0.57 P ATOM 708 OP1 U A 5 -6.689 -6.533 5.590 1.00 0.77 O ATOM 709 OP2 U A 5 -4.564 -6.654 4.169 1.00 0.62 O ATOM 710 O5' U A 5 -4.610 -5.351 6.298 1.00 0.49 O ATOM 711 C5' U A 5 -5.111 -5.031 7.604 1.00 0.45 C ATOM 712 C4' U A 5 -4.344 -3.878 8.202 1.00 0.41 C ATOM 713 O4' U A 5 -3.001 -4.304 8.525 1.00 0.47 O ATOM 714 C3' U A 5 -4.125 -2.693 7.281 1.00 0.35 C ATOM 715 O3' U A 5 -5.286 -1.859 7.276 1.00 0.36 O ATOM 716 C2' U A 5 -2.927 -2.000 7.922 1.00 0.41 C ATOM 717 O2' U A 5 -3.297 -1.090 8.939 1.00 0.50 O ATOM 718 C1' U A 5 -2.154 -3.172 8.529 1.00 0.43 C ATOM 719 N1 U A 5 -0.926 -3.484 7.787 1.00 0.43 N ATOM 720 C2 U A 5 0.148 -2.653 8.005 1.00 0.40 C ATOM 721 O2 U A 5 0.095 -1.698 8.764 1.00 0.39 O ATOM 722 N3 U A 5 1.281 -2.971 7.304 1.00 0.43 N ATOM 723 C4 U A 5 1.445 -4.009 6.420 1.00 0.50 C ATOM 724 O4 U A 5 2.532 -4.156 5.858 1.00 0.54 O ATOM 725 C5 U A 5 0.285 -4.829 6.242 1.00 0.55 C ATOM 726 C6 U A 5 -0.840 -4.548 6.917 1.00 0.51 C ATOM 0 H5' U A 5 -5.031 -5.903 8.253 1.00 0.45 H new ATOM 0 H5'' U A 5 -6.169 -4.777 7.541 1.00 0.45 H new ATOM 0 H4' U A 5 -4.958 -3.576 9.050 1.00 0.41 H new ATOM 0 H3' U A 5 -3.951 -2.954 6.237 1.00 0.35 H new ATOM 0 H2' U A 5 -2.367 -1.403 7.202 1.00 0.41 H new ATOM 0 HO2' U A 5 -3.531 -1.585 9.752 1.00 0.50 H new ATOM 0 H1' U A 5 -1.854 -2.896 9.540 1.00 0.43 H new ATOM 0 H3 U A 5 2.092 -2.371 7.455 1.00 0.43 H new ATOM 0 H5 U A 5 0.315 -5.671 5.567 1.00 0.55 H new ATOM 0 H6 U A 5 -1.706 -5.177 6.773 1.00 0.51 H new ATOM 737 P G A 6 -5.138 -0.261 7.135 1.00 0.43 P ATOM 738 OP1 G A 6 -5.211 0.335 8.493 1.00 0.65 O ATOM 739 OP2 G A 6 -6.097 0.180 6.090 1.00 0.54 O ATOM 740 O5' G A 6 -3.665 -0.039 6.572 1.00 0.43 O ATOM 741 C5' G A 6 -2.755 0.874 7.220 1.00 0.47 C ATOM 742 C4' G A 6 -1.927 1.603 6.190 1.00 0.47 C ATOM 743 O4' G A 6 -0.597 1.029 6.168 1.00 0.53 O ATOM 744 C3' G A 6 -2.400 1.430 4.759 1.00 0.39 C ATOM 745 O3' G A 6 -3.424 2.374 4.457 1.00 0.41 O ATOM 746 C2' G A 6 -1.138 1.716 3.953 1.00 0.48 C ATOM 747 O2' G A 6 -0.963 3.092 3.674 1.00 0.59 O ATOM 748 C1' G A 6 -0.030 1.219 4.885 1.00 0.49 C ATOM 749 N9 G A 6 0.539 -0.048 4.440 1.00 0.50 N ATOM 750 C8 G A 6 -0.067 -1.280 4.463 1.00 0.60 C ATOM 751 N7 G A 6 0.689 -2.231 3.985 1.00 0.63 N ATOM 752 C5 G A 6 1.866 -1.586 3.624 1.00 0.54 C ATOM 753 C6 G A 6 3.049 -2.096 3.026 1.00 0.55 C ATOM 754 O6 G A 6 3.306 -3.262 2.702 1.00 0.61 O ATOM 755 N1 G A 6 3.992 -1.092 2.808 1.00 0.55 N ATOM 756 C2 G A 6 3.812 0.232 3.128 1.00 0.57 C ATOM 757 N2 G A 6 4.836 1.057 2.849 1.00 0.70 N ATOM 758 N3 G A 6 2.714 0.719 3.683 1.00 0.53 N ATOM 759 C4 G A 6 1.789 -0.240 3.901 1.00 0.49 C ATOM 0 H5' G A 6 -2.103 0.327 7.901 1.00 0.47 H new ATOM 0 H5'' G A 6 -3.314 1.591 7.821 1.00 0.47 H new ATOM 0 H4' G A 6 -1.988 2.652 6.481 1.00 0.47 H new ATOM 0 H3' G A 6 -2.828 0.449 4.553 1.00 0.39 H new ATOM 0 H2' G A 6 -1.158 1.237 2.974 1.00 0.48 H new ATOM 0 HO2' G A 6 -0.167 3.214 3.115 1.00 0.59 H new ATOM 0 H1' G A 6 0.771 1.959 4.893 1.00 0.49 H new ATOM 0 H8 G A 6 -1.066 -1.445 4.838 1.00 0.60 H new ATOM 0 H1 G A 6 4.879 -1.360 2.381 1.00 0.55 H new ATOM 0 H21 G A 6 4.763 2.052 3.063 1.00 0.70 H new ATOM 0 H22 G A 6 5.686 0.688 2.423 1.00 0.70 H new ATOM 771 P A A 7 -4.234 2.254 3.075 1.00 0.43 P ATOM 772 OP1 A A 7 -4.566 3.625 2.608 1.00 0.66 O ATOM 773 OP2 A A 7 -5.323 1.267 3.281 1.00 0.74 O ATOM 774 O5' A A 7 -3.178 1.623 2.063 1.00 0.33 O ATOM 775 C5' A A 7 -3.514 1.418 0.679 1.00 0.29 C ATOM 776 C4' A A 7 -2.472 2.050 -0.210 1.00 0.23 C ATOM 777 O4' A A 7 -2.515 3.483 -0.040 1.00 0.23 O ATOM 778 C3' A A 7 -1.036 1.705 0.134 1.00 0.25 C ATOM 779 O3' A A 7 -0.670 0.460 -0.451 1.00 0.27 O ATOM 780 C2' A A 7 -0.259 2.864 -0.487 1.00 0.24 C ATOM 781 O2' A A 7 0.054 2.654 -1.849 1.00 0.25 O ATOM 782 C1' A A 7 -1.246 4.023 -0.354 1.00 0.21 C ATOM 783 N9 A A 7 -0.871 4.961 0.704 1.00 0.24 N ATOM 784 C8 A A 7 -1.466 5.136 1.928 1.00 0.29 C ATOM 785 N7 A A 7 -0.894 6.054 2.668 1.00 0.33 N ATOM 786 C5 A A 7 0.149 6.517 1.878 1.00 0.30 C ATOM 787 C6 A A 7 1.131 7.500 2.090 1.00 0.34 C ATOM 788 N6 A A 7 1.231 8.220 3.209 1.00 0.39 N ATOM 789 N1 A A 7 2.021 7.722 1.098 1.00 0.35 N ATOM 790 C2 A A 7 1.921 6.999 -0.025 1.00 0.32 C ATOM 791 N3 A A 7 1.044 6.048 -0.341 1.00 0.27 N ATOM 792 C4 A A 7 0.175 5.854 0.665 1.00 0.25 C ATOM 0 H5' A A 7 -4.493 1.849 0.467 1.00 0.29 H new ATOM 0 H5'' A A 7 -3.583 0.351 0.468 1.00 0.29 H new ATOM 0 H4' A A 7 -2.714 1.681 -1.207 1.00 0.23 H new ATOM 0 H3' A A 7 -0.851 1.591 1.202 1.00 0.25 H new ATOM 0 H2' A A 7 0.705 3.018 -0.001 1.00 0.24 H new ATOM 0 HO2' A A 7 0.549 3.426 -2.194 1.00 0.25 H new ATOM 0 H1' A A 7 -1.252 4.571 -1.296 1.00 0.21 H new ATOM 0 H8 A A 7 -2.327 4.569 2.252 1.00 0.29 H new ATOM 0 H61 A A 7 1.968 8.920 3.301 1.00 0.39 H new ATOM 0 H62 A A 7 0.571 8.071 3.972 1.00 0.39 H new ATOM 0 H2 A A 7 2.658 7.219 -0.783 1.00 0.32 H new ATOM 804 P A A 8 0.236 -0.572 0.381 1.00 0.37 P ATOM 805 OP1 A A 8 0.023 -1.933 -0.173 1.00 0.44 O ATOM 806 OP2 A A 8 -0.008 -0.320 1.823 1.00 0.47 O ATOM 807 O5' A A 8 1.725 -0.120 0.043 1.00 0.38 O ATOM 808 C5' A A 8 2.077 0.313 -1.283 1.00 0.39 C ATOM 809 C4' A A 8 3.118 1.402 -1.216 1.00 0.43 C ATOM 810 O4' A A 8 2.506 2.586 -0.648 1.00 0.37 O ATOM 811 C3' A A 8 4.283 1.100 -0.288 1.00 0.53 C ATOM 812 O3' A A 8 5.324 0.387 -0.960 1.00 0.66 O ATOM 813 C2' A A 8 4.759 2.489 0.126 1.00 0.50 C ATOM 814 O2' A A 8 5.667 3.056 -0.798 1.00 0.58 O ATOM 815 C1' A A 8 3.457 3.292 0.127 1.00 0.38 C ATOM 816 N9 A A 8 2.899 3.474 1.466 1.00 0.36 N ATOM 817 C8 A A 8 1.892 2.756 2.062 1.00 0.42 C ATOM 818 N7 A A 8 1.597 3.165 3.272 1.00 0.47 N ATOM 819 C5 A A 8 2.471 4.219 3.490 1.00 0.41 C ATOM 820 C6 A A 8 2.676 5.065 4.594 1.00 0.44 C ATOM 821 N6 A A 8 1.966 4.994 5.721 1.00 0.54 N ATOM 822 N1 A A 8 3.646 6.000 4.497 1.00 0.40 N ATOM 823 C2 A A 8 4.355 6.073 3.363 1.00 0.36 C ATOM 824 N3 A A 8 4.254 5.339 2.258 1.00 0.35 N ATOM 825 C4 A A 8 3.281 4.419 2.387 1.00 0.35 C ATOM 0 H5' A A 8 1.191 0.679 -1.801 1.00 0.39 H new ATOM 0 H5'' A A 8 2.458 -0.530 -1.859 1.00 0.39 H new ATOM 0 H4' A A 8 3.486 1.512 -2.236 1.00 0.43 H new ATOM 0 H3' A A 8 3.999 0.466 0.552 1.00 0.53 H new ATOM 0 H2' A A 8 5.294 2.473 1.075 1.00 0.50 H new ATOM 0 HO2' A A 8 5.321 2.944 -1.708 1.00 0.58 H new ATOM 0 H1' A A 8 3.679 4.280 -0.277 1.00 0.38 H new ATOM 0 H8 A A 8 1.390 1.931 1.579 1.00 0.42 H new ATOM 0 H61 A A 8 2.162 5.637 6.489 1.00 0.54 H new ATOM 0 H62 A A 8 1.227 4.297 5.815 1.00 0.54 H new ATOM 0 H2 A A 8 5.118 6.837 3.343 1.00 0.36 H new ATOM 837 P A A 9 5.355 0.328 -2.567 1.00 1.47 P ATOM 838 OP1 A A 9 5.441 1.724 -3.060 1.00 2.33 O ATOM 839 OP2 A A 9 4.248 -0.546 -3.028 1.00 2.35 O ATOM 840 O5' A A 9 6.732 -0.399 -2.900 1.00 1.08 O ATOM 841 C5' A A 9 7.869 -0.253 -2.033 1.00 1.04 C ATOM 842 C4' A A 9 8.645 0.988 -2.396 1.00 1.09 C ATOM 843 O4' A A 9 8.120 1.517 -3.638 1.00 1.26 O ATOM 844 C3' A A 9 8.479 2.136 -1.420 1.00 0.99 C ATOM 845 O3' A A 9 9.387 2.014 -0.333 1.00 1.17 O ATOM 846 C2' A A 9 8.802 3.351 -2.280 1.00 1.26 C ATOM 847 O2' A A 9 10.191 3.597 -2.375 1.00 1.57 O ATOM 848 C1' A A 9 8.252 2.927 -3.646 1.00 1.29 C ATOM 849 N9 A A 9 6.932 3.494 -3.921 1.00 0.00 N ATOM 850 C8 A A 9 6.185 4.314 -3.114 1.00 0.00 C ATOM 851 N7 A A 9 5.033 4.663 -3.635 1.00 0.00 N ATOM 852 C5 A A 9 5.019 4.026 -4.868 1.00 0.00 C ATOM 853 C6 A A 9 4.045 3.941 -5.877 1.00 0.00 C ATOM 854 N6 A A 9 2.875 4.583 -5.832 1.00 0.00 N ATOM 855 N1 A A 9 4.317 3.165 -6.947 1.00 0.00 N ATOM 856 C2 A A 9 5.490 2.521 -6.990 1.00 0.00 C ATOM 857 N3 A A 9 6.484 2.522 -6.108 1.00 0.00 N ATOM 858 C4 A A 9 6.183 3.303 -5.057 1.00 0.00 C ATOM 0 H5' A A 9 8.512 -1.129 -2.114 1.00 1.04 H new ATOM 0 H5'' A A 9 7.539 -0.194 -0.996 1.00 1.04 H new ATOM 0 H4' A A 9 9.688 0.671 -2.425 1.00 1.09 H new ATOM 0 H3' A A 9 7.490 2.183 -0.963 1.00 0.99 H new ATOM 0 H2' A A 9 8.381 4.272 -1.877 1.00 1.26 H new ATOM 0 HO2' A A 9 10.659 3.106 -1.668 1.00 1.57 H new ATOM 0 H1' A A 9 8.940 3.285 -4.412 1.00 1.29 H new ATOM 0 H8 A A 9 6.515 4.642 -2.139 1.00 0.00 H new ATOM 0 H61 A A 9 2.208 4.481 -6.597 1.00 0.00 H new ATOM 0 H62 A A 9 2.649 5.175 -5.033 1.00 0.00 H new ATOM 0 H2 A A 9 5.652 1.913 -7.868 1.00 0.00 H new ATOM 870 P A A 10 8.988 1.122 0.943 1.00 1.33 P ATOM 871 OP1 A A 10 9.485 -0.259 0.719 1.00 2.11 O ATOM 872 OP2 A A 10 7.538 1.346 1.228 1.00 2.10 O ATOM 873 O5' A A 10 9.832 1.766 2.129 1.00 0.79 O ATOM 874 C5' A A 10 9.350 1.717 3.480 1.00 0.59 C ATOM 875 C4' A A 10 9.350 3.099 4.089 1.00 0.54 C ATOM 876 O4' A A 10 8.065 3.711 3.827 1.00 0.50 O ATOM 877 C3' A A 10 9.482 3.106 5.599 1.00 0.50 C ATOM 878 O3' A A 10 10.853 3.129 5.987 1.00 0.61 O ATOM 879 C2' A A 10 8.750 4.376 6.015 1.00 0.50 C ATOM 880 O2' A A 10 9.583 5.520 5.984 1.00 0.61 O ATOM 881 C1' A A 10 7.666 4.491 4.940 1.00 0.48 C ATOM 882 N9 A A 10 6.387 3.948 5.389 1.00 0.45 N ATOM 883 C8 A A 10 5.723 2.880 4.846 1.00 0.45 C ATOM 884 N7 A A 10 4.594 2.598 5.446 1.00 0.51 N ATOM 885 C5 A A 10 4.512 3.545 6.459 1.00 0.54 C ATOM 886 C6 A A 10 3.574 3.753 7.485 1.00 0.64 C ATOM 887 N6 A A 10 2.467 3.022 7.638 1.00 0.72 N ATOM 888 N1 A A 10 3.814 4.754 8.360 1.00 0.69 N ATOM 889 C2 A A 10 4.925 5.486 8.208 1.00 0.66 C ATOM 890 N3 A A 10 5.880 5.386 7.288 1.00 0.58 N ATOM 891 C4 A A 10 5.610 4.384 6.433 1.00 0.51 C ATOM 0 H5' A A 10 9.977 1.051 4.073 1.00 0.59 H new ATOM 0 H5'' A A 10 8.341 1.305 3.498 1.00 0.59 H new ATOM 0 H4' A A 10 10.202 3.618 3.651 1.00 0.54 H new ATOM 0 H3' A A 10 9.067 2.217 6.073 1.00 0.50 H new ATOM 0 H2' A A 10 8.379 4.325 7.039 1.00 0.50 H new ATOM 0 HO2' A A 10 10.520 5.245 6.066 1.00 0.61 H new ATOM 0 H1' A A 10 7.545 5.548 4.703 1.00 0.48 H new ATOM 0 H8 A A 10 6.097 2.322 4.000 1.00 0.45 H new ATOM 0 H61 A A 10 1.825 3.223 8.404 1.00 0.72 H new ATOM 0 H62 A A 10 2.264 2.262 6.988 1.00 0.72 H new ATOM 0 H2 A A 10 5.066 6.270 8.937 1.00 0.66 H new ATOM 903 P A A 11 11.271 2.637 7.458 1.00 0.62 P ATOM 904 OP1 A A 11 12.272 3.591 8.001 1.00 0.77 O ATOM 905 OP2 A A 11 11.609 1.195 7.365 1.00 0.65 O ATOM 906 O5' A A 11 9.931 2.779 8.308 1.00 0.58 O ATOM 907 C5' A A 11 9.756 3.868 9.235 1.00 0.56 C ATOM 908 C4' A A 11 8.370 3.826 9.836 1.00 0.49 C ATOM 909 O4' A A 11 7.420 3.515 8.788 1.00 0.46 O ATOM 910 C3' A A 11 8.164 2.737 10.875 1.00 0.47 C ATOM 911 O3' A A 11 8.566 3.224 12.162 1.00 0.51 O ATOM 912 C2' A A 11 6.663 2.472 10.792 1.00 0.43 C ATOM 913 O2' A A 11 5.903 3.360 11.587 1.00 0.47 O ATOM 914 C1' A A 11 6.362 2.738 9.316 1.00 0.42 C ATOM 915 N9 A A 11 6.262 1.525 8.504 1.00 0.41 N ATOM 916 C8 A A 11 7.229 0.972 7.700 1.00 0.46 C ATOM 917 N7 A A 11 6.834 -0.102 7.059 1.00 0.47 N ATOM 918 C5 A A 11 5.520 -0.272 7.473 1.00 0.42 C ATOM 919 C6 A A 11 4.543 -1.238 7.162 1.00 0.43 C ATOM 920 N6 A A 11 4.733 -2.254 6.311 1.00 0.49 N ATOM 921 N1 A A 11 3.340 -1.123 7.763 1.00 0.40 N ATOM 922 C2 A A 11 3.136 -0.110 8.611 1.00 0.37 C ATOM 923 N3 A A 11 3.969 0.859 8.980 1.00 0.37 N ATOM 924 C4 A A 11 5.157 0.720 8.369 1.00 0.39 C ATOM 0 H5' A A 11 9.910 4.818 8.724 1.00 0.56 H new ATOM 0 H5'' A A 11 10.505 3.806 10.025 1.00 0.56 H new ATOM 0 H4' A A 11 8.235 4.800 10.307 1.00 0.49 H new ATOM 0 H3' A A 11 8.747 1.830 10.711 1.00 0.47 H new ATOM 0 H2' A A 11 6.408 1.474 11.148 1.00 0.43 H new ATOM 0 HO2' A A 11 5.830 3.004 12.497 1.00 0.47 H new ATOM 0 H1' A A 11 5.395 3.239 9.275 1.00 0.42 H new ATOM 0 H8 A A 11 8.223 1.384 7.605 1.00 0.46 H new ATOM 0 H61 A A 11 3.979 -2.918 6.133 1.00 0.49 H new ATOM 0 H62 A A 11 5.631 -2.364 5.841 1.00 0.49 H new ATOM 0 H2 A A 11 2.155 -0.073 9.061 1.00 0.37 H new ATOM 936 P G A 12 7.890 2.641 13.505 1.00 0.56 P ATOM 937 OP1 G A 12 6.458 2.389 13.231 1.00 0.68 O ATOM 938 OP2 G A 12 8.266 3.547 14.621 1.00 0.65 O ATOM 939 O5' G A 12 8.636 1.253 13.762 1.00 0.50 O ATOM 940 C5' G A 12 8.159 0.012 13.190 1.00 0.47 C ATOM 941 C4' G A 12 6.651 -0.046 13.220 1.00 0.42 C ATOM 942 O4' G A 12 6.179 0.048 11.858 1.00 0.40 O ATOM 943 C3' G A 12 6.065 -1.344 13.742 1.00 0.39 C ATOM 944 O3' G A 12 5.914 -1.273 15.158 1.00 0.43 O ATOM 945 C2' G A 12 4.716 -1.420 13.033 1.00 0.35 C ATOM 946 O2' G A 12 3.696 -0.718 13.717 1.00 0.37 O ATOM 947 C1' G A 12 5.010 -0.729 11.700 1.00 0.35 C ATOM 948 N9 G A 12 5.256 -1.664 10.609 1.00 0.33 N ATOM 949 C8 G A 12 6.375 -1.716 9.815 1.00 0.36 C ATOM 950 N7 G A 12 6.310 -2.639 8.898 1.00 0.36 N ATOM 951 C5 G A 12 5.074 -3.238 9.100 1.00 0.33 C ATOM 952 C6 G A 12 4.441 -4.282 8.391 1.00 0.36 C ATOM 953 O6 G A 12 4.868 -4.918 7.425 1.00 0.40 O ATOM 954 N1 G A 12 3.182 -4.569 8.908 1.00 0.36 N ATOM 955 C2 G A 12 2.610 -3.925 9.979 1.00 0.34 C ATOM 956 N2 G A 12 1.388 -4.354 10.337 1.00 0.37 N ATOM 957 N3 G A 12 3.191 -2.942 10.649 1.00 0.31 N ATOM 958 C4 G A 12 4.413 -2.652 10.157 1.00 0.31 C ATOM 0 H5' G A 12 8.571 -0.831 13.744 1.00 0.47 H new ATOM 0 H5'' G A 12 8.511 -0.079 12.162 1.00 0.47 H new ATOM 0 H4' G A 12 6.344 0.762 13.884 1.00 0.42 H new ATOM 0 H3' G A 12 6.684 -2.221 13.553 1.00 0.39 H new ATOM 0 H2' G A 12 4.351 -2.444 12.954 1.00 0.35 H new ATOM 0 HO2' G A 12 3.268 -1.314 14.367 1.00 0.37 H new ATOM 0 H1' G A 12 4.132 -0.136 11.444 1.00 0.35 H new ATOM 0 H8 G A 12 7.223 -1.059 9.938 1.00 0.36 H new ATOM 0 H1 G A 12 2.644 -5.311 8.460 1.00 0.36 H new ATOM 0 H21 G A 12 0.905 -3.920 11.124 1.00 0.37 H new ATOM 0 H22 G A 12 0.943 -5.114 9.822 1.00 0.37 H new ATOM 970 P G A 13 5.013 -2.360 15.924 1.00 0.51 P ATOM 971 OP1 G A 13 3.673 -2.405 15.287 1.00 0.57 O ATOM 972 OP2 G A 13 5.124 -2.080 17.378 1.00 0.59 O ATOM 973 O5' G A 13 5.747 -3.743 15.634 1.00 0.57 O ATOM 974 C5' G A 13 5.522 -4.882 16.480 1.00 0.62 C ATOM 975 C4' G A 13 4.220 -5.544 16.124 1.00 0.60 C ATOM 976 O4' G A 13 3.766 -5.011 14.860 1.00 0.59 O ATOM 977 C3' G A 13 4.341 -7.036 15.904 1.00 0.59 C ATOM 978 O3' G A 13 4.164 -7.739 17.132 1.00 0.66 O ATOM 979 C2' G A 13 3.228 -7.333 14.912 1.00 0.57 C ATOM 980 O2' G A 13 1.984 -7.589 15.537 1.00 0.63 O ATOM 981 C1' G A 13 3.157 -6.038 14.103 1.00 0.54 C ATOM 982 N9 G A 13 3.907 -6.144 12.862 1.00 0.50 N ATOM 983 C8 G A 13 5.028 -5.432 12.527 1.00 0.54 C ATOM 984 N7 G A 13 5.506 -5.753 11.355 1.00 0.56 N ATOM 985 C5 G A 13 4.641 -6.737 10.893 1.00 0.50 C ATOM 986 C6 G A 13 4.654 -7.482 9.687 1.00 0.53 C ATOM 987 O6 G A 13 5.456 -7.414 8.749 1.00 0.60 O ATOM 988 N1 G A 13 3.597 -8.388 9.632 1.00 0.51 N ATOM 989 C2 G A 13 2.653 -8.554 10.616 1.00 0.48 C ATOM 990 N2 G A 13 1.710 -9.477 10.385 1.00 0.52 N ATOM 991 N3 G A 13 2.633 -7.868 11.743 1.00 0.47 N ATOM 992 C4 G A 13 3.648 -6.984 11.814 1.00 0.47 C ATOM 0 H5' G A 13 5.507 -4.571 17.525 1.00 0.62 H new ATOM 0 H5'' G A 13 6.341 -5.593 16.371 1.00 0.62 H new ATOM 0 H4' G A 13 3.546 -5.355 16.960 1.00 0.60 H new ATOM 0 H3' G A 13 5.318 -7.347 15.534 1.00 0.59 H new ATOM 0 H2' G A 13 3.429 -8.229 14.325 1.00 0.57 H new ATOM 0 HO2' G A 13 1.306 -7.772 14.853 1.00 0.63 H new ATOM 0 H1' G A 13 2.110 -5.834 13.880 1.00 0.54 H new ATOM 0 H8 G A 13 5.471 -4.682 13.166 1.00 0.54 H new ATOM 0 H1 G A 13 3.518 -8.971 8.799 1.00 0.51 H new ATOM 0 H21 G A 13 0.981 -9.646 11.078 1.00 0.52 H new ATOM 0 H22 G A 13 1.721 -10.010 9.516 1.00 0.52 H new ATOM 1004 P G A 14 5.131 -8.971 17.491 1.00 0.74 P ATOM 1005 OP1 G A 14 6.010 -8.561 18.616 1.00 0.90 O ATOM 1006 OP2 G A 14 5.737 -9.444 16.221 1.00 0.80 O ATOM 1007 O5' G A 14 4.138 -10.100 18.018 1.00 0.68 O ATOM 1008 C5' G A 14 2.746 -10.095 17.647 1.00 0.70 C ATOM 1009 C4' G A 14 2.409 -11.344 16.863 1.00 0.68 C ATOM 1010 O4' G A 14 2.175 -10.975 15.481 1.00 0.67 O ATOM 1011 C3' G A 14 3.528 -12.363 16.767 1.00 0.67 C ATOM 1012 O3' G A 14 3.553 -13.204 17.915 1.00 0.77 O ATOM 1013 C2' G A 14 3.147 -13.146 15.516 1.00 0.67 C ATOM 1014 O2' G A 14 2.188 -14.154 15.772 1.00 0.80 O ATOM 1015 C1' G A 14 2.530 -12.056 14.636 1.00 0.61 C ATOM 1016 N9 G A 14 3.473 -11.561 13.640 1.00 0.50 N ATOM 1017 C8 G A 14 4.266 -10.444 13.733 1.00 0.50 C ATOM 1018 N7 G A 14 5.022 -10.264 12.685 1.00 0.47 N ATOM 1019 C5 G A 14 4.707 -11.326 11.849 1.00 0.41 C ATOM 1020 C6 G A 14 5.217 -11.669 10.570 1.00 0.40 C ATOM 1021 O6 G A 14 6.071 -11.077 9.901 1.00 0.45 O ATOM 1022 N1 G A 14 4.630 -12.833 10.075 1.00 0.41 N ATOM 1023 C2 G A 14 3.674 -13.568 10.737 1.00 0.46 C ATOM 1024 N2 G A 14 3.225 -14.660 10.102 1.00 0.55 N ATOM 1025 N3 G A 14 3.194 -13.259 11.930 1.00 0.49 N ATOM 1026 C4 G A 14 3.751 -12.134 12.422 1.00 0.44 C ATOM 0 H5' G A 14 2.525 -9.211 17.049 1.00 0.70 H new ATOM 0 H5'' G A 14 2.124 -10.039 18.541 1.00 0.70 H new ATOM 0 H4' G A 14 1.560 -11.778 17.392 1.00 0.68 H new ATOM 0 H3' G A 14 4.522 -11.920 16.717 1.00 0.67 H new ATOM 0 H2' G A 14 3.997 -13.671 15.080 1.00 0.67 H new ATOM 0 HO2' G A 14 1.978 -14.625 14.939 1.00 0.80 H new ATOM 0 H1' G A 14 1.671 -12.475 14.112 1.00 0.61 H new ATOM 0 H8 G A 14 4.264 -9.782 14.586 1.00 0.50 H new ATOM 0 H1 G A 14 4.931 -13.163 9.158 1.00 0.41 H new ATOM 0 H21 G A 14 2.516 -15.248 10.539 1.00 0.55 H new ATOM 0 H22 G A 14 3.593 -14.902 9.182 1.00 0.55 H new ATOM 1038 P C A 15 4.918 -13.946 18.325 1.00 0.87 P ATOM 1039 OP1 C A 15 4.703 -14.570 19.655 1.00 0.91 O ATOM 1040 OP2 C A 15 6.043 -12.997 18.131 1.00 1.02 O ATOM 1041 O5' C A 15 5.054 -15.111 17.247 1.00 0.85 O ATOM 1042 C5' C A 15 4.016 -16.096 17.097 1.00 0.94 C ATOM 1043 C4' C A 15 4.300 -16.980 15.905 1.00 0.97 C ATOM 1044 O4' C A 15 4.208 -16.196 14.692 1.00 0.84 O ATOM 1045 C3' C A 15 5.710 -17.536 15.850 1.00 1.09 C ATOM 1046 O3' C A 15 5.824 -18.719 16.650 1.00 1.31 O ATOM 1047 C2' C A 15 5.885 -17.860 14.370 1.00 1.09 C ATOM 1048 O2' C A 15 5.414 -19.150 14.031 1.00 1.30 O ATOM 1049 C1' C A 15 5.021 -16.790 13.697 1.00 0.89 C ATOM 1050 N1 C A 15 5.838 -15.744 13.067 1.00 0.75 N ATOM 1051 C2 C A 15 6.451 -16.026 11.843 1.00 0.77 C ATOM 1052 O2 C A 15 6.274 -17.135 11.323 1.00 0.89 O ATOM 1053 N3 C A 15 7.219 -15.088 11.259 1.00 0.70 N ATOM 1054 C4 C A 15 7.387 -13.906 11.844 1.00 0.66 C ATOM 1055 N4 C A 15 8.157 -13.019 11.224 1.00 0.71 N ATOM 1056 C5 C A 15 6.771 -13.585 13.088 1.00 0.64 C ATOM 1057 C6 C A 15 6.010 -14.525 13.662 1.00 0.66 C ATOM 0 H5' C A 15 3.052 -15.602 16.971 1.00 0.94 H new ATOM 0 H5'' C A 15 3.948 -16.703 18.000 1.00 0.94 H new ATOM 0 H4' C A 15 3.577 -17.791 15.996 1.00 0.97 H new ATOM 0 H3' C A 15 6.463 -16.848 16.235 1.00 1.09 H new ATOM 0 H2' C A 15 6.932 -17.859 14.069 1.00 1.09 H new ATOM 0 HO2' C A 15 5.285 -19.676 14.848 1.00 1.30 H new ATOM 0 HO3' C A 15 6.741 -19.062 16.599 1.00 1.31 H new ATOM 0 H1' C A 15 4.424 -17.263 12.917 1.00 0.89 H new ATOM 0 H41 C A 15 8.312 -12.100 11.639 1.00 0.71 H new ATOM 0 H42 C A 15 8.593 -13.257 10.333 1.00 0.71 H new ATOM 0 H5 C A 15 6.913 -12.619 13.551 1.00 0.64 H new ATOM 0 H6 C A 15 5.527 -14.318 14.605 1.00 0.66 H new TER 1069 C A 15