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 -11:sc= 0.136 USER MOD Single : A 2 C O2' : rot -90:sc= -0.903! USER MOD Single : A 3 C O2' : rot 47:sc= -6.17! USER MOD Single : A 4 C O2' : rot 52:sc= -5.81! USER MOD Single : A 5 U O2' : rot -18:sc= -0.127 USER MOD Single : A 6 G O2' : rot 148:sc= 0.831 USER MOD Single : A 7 A O2' : rot 180:sc= -4.71! USER MOD Single : A 8 A O2' : rot 56:sc= -2.46! USER MOD Single : A 9 A O2' : rot -13:sc= 0.133 USER MOD Single : A 10 A O2' : rot -91:sc= -0.181 USER MOD Single : A 11 A O2' : rot -27:sc= 0.189 USER MOD Single : A 12 G O2' : rot -20:sc= 0.15 USER MOD Single : A 13 G O2' : rot 59:sc= -6.34! USER MOD Single : A 14 G O2' : rot 180:sc= -3.22! USER MOD Single : A 15 C O2' : rot -25:sc= 0.16 USER MOD Single : A 15 C O3' : rot 180:sc= 0.169 USER MOD Single : B 4 GLN : amide:sc= 0.0342 X(o=0.034,f=0) 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= -4.65! C(o=-4.6!,f=-3.4!) USER MOD Single : B 17 GLN : amide:sc= -0.138 K(o=-0.14,f=-2.2!) USER MOD Single : B 19 LYS NZ :NH3+ -139:sc= -1.68! (180deg=-3.46!) USER MOD Single : B 22 ASN : amide:sc= -6.87! C(o=-6.9!,f=-5.6!) USER MOD Single : B 29 SER OG : rot 56:sc= 0.136 USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP B 2 10.273 -13.036 -1.564 1.00 0.76 N ATOM 2 CA ASP B 2 9.782 -12.234 -0.403 1.00 0.88 C ATOM 3 C ASP B 2 8.294 -12.493 -0.178 1.00 0.68 C ATOM 4 O ASP B 2 7.744 -13.473 -0.639 1.00 0.66 O ATOM 5 CB ASP B 2 10.011 -10.769 -0.786 1.00 1.25 C ATOM 6 CG ASP B 2 11.441 -10.577 -1.298 1.00 1.88 C ATOM 7 OD1 ASP B 2 11.718 -11.018 -2.401 1.00 2.37 O ATOM 8 OD2 ASP B 2 12.234 -9.993 -0.578 1.00 2.35 O ATOM 0 HA ASP B 2 10.302 -12.496 0.519 1.00 0.88 H new ATOM 0 HB2 ASP B 2 9.298 -10.470 -1.554 1.00 1.25 H new ATOM 0 HB3 ASP B 2 9.836 -10.128 0.078 1.00 1.25 H new ATOM 15 N ALA B 3 7.646 -11.616 0.532 1.00 0.63 N ATOM 16 CA ALA B 3 6.188 -11.792 0.799 1.00 0.58 C ATOM 17 C ALA B 3 5.498 -10.436 0.913 1.00 0.63 C ATOM 18 O ALA B 3 4.398 -10.250 0.432 1.00 0.61 O ATOM 19 CB ALA B 3 6.114 -12.545 2.128 1.00 0.75 C ATOM 0 H ALA B 3 8.062 -10.780 0.942 1.00 0.63 H new ATOM 0 HA ALA B 3 5.688 -12.332 -0.005 1.00 0.58 H new ATOM 0 HB1 ALA B 3 5.070 -12.713 2.393 1.00 0.75 H new ATOM 0 HB2 ALA B 3 6.623 -13.504 2.032 1.00 0.75 H new ATOM 0 HB3 ALA B 3 6.596 -11.955 2.908 1.00 0.75 H new ATOM 25 N GLN B 4 6.133 -9.486 1.540 1.00 0.75 N ATOM 26 CA GLN B 4 5.507 -8.143 1.675 1.00 0.89 C ATOM 27 C GLN B 4 5.471 -7.469 0.315 1.00 0.79 C ATOM 28 O GLN B 4 4.418 -7.107 -0.177 1.00 0.81 O ATOM 29 CB GLN B 4 6.400 -7.374 2.653 1.00 1.09 C ATOM 30 CG GLN B 4 5.637 -6.179 3.226 1.00 1.29 C ATOM 31 CD GLN B 4 6.503 -4.922 3.140 1.00 0.85 C ATOM 32 OE1 GLN B 4 7.616 -4.901 3.627 1.00 1.14 O ATOM 33 NE2 GLN B 4 6.034 -3.865 2.534 1.00 0.94 N ATOM 0 H GLN B 4 7.056 -9.581 1.964 1.00 0.75 H new ATOM 0 HA GLN B 4 4.481 -8.188 2.039 1.00 0.89 H new ATOM 0 HB2 GLN B 4 6.721 -8.032 3.460 1.00 1.09 H new ATOM 0 HB3 GLN B 4 7.301 -7.031 2.144 1.00 1.09 H new ATOM 0 HG2 GLN B 4 4.709 -6.030 2.675 1.00 1.29 H new ATOM 0 HG3 GLN B 4 5.364 -6.373 4.263 1.00 1.29 H new ATOM 0 HE21 GLN B 4 5.100 -3.884 2.126 1.00 0.94 H new ATOM 0 HE22 GLN B 4 6.602 -3.020 2.469 1.00 0.94 H new ATOM 42 N THR B 5 6.601 -7.334 -0.321 1.00 0.76 N ATOM 43 CA THR B 5 6.605 -6.726 -1.680 1.00 0.79 C ATOM 44 C THR B 5 5.598 -7.495 -2.530 1.00 0.59 C ATOM 45 O THR B 5 4.958 -6.956 -3.413 1.00 0.57 O ATOM 46 CB THR B 5 8.028 -6.917 -2.208 1.00 0.94 C ATOM 47 OG1 THR B 5 8.928 -6.134 -1.435 1.00 1.26 O ATOM 48 CG2 THR B 5 8.094 -6.479 -3.671 1.00 0.94 C ATOM 0 H THR B 5 7.514 -7.615 0.037 1.00 0.76 H new ATOM 0 HA THR B 5 6.333 -5.671 -1.691 1.00 0.79 H new ATOM 0 HB THR B 5 8.305 -7.968 -2.134 1.00 0.94 H new ATOM 0 HG1 THR B 5 9.840 -6.257 -1.771 1.00 1.26 H new ATOM 0 HG21 THR B 5 9.108 -6.615 -4.046 1.00 0.94 H new ATOM 0 HG22 THR B 5 7.404 -7.081 -4.262 1.00 0.94 H new ATOM 0 HG23 THR B 5 7.817 -5.428 -3.749 1.00 0.94 H new ATOM 56 N ARG B 6 5.431 -8.755 -2.224 1.00 0.48 N ATOM 57 CA ARG B 6 4.443 -9.582 -2.959 1.00 0.46 C ATOM 58 C ARG B 6 3.050 -9.175 -2.530 1.00 0.43 C ATOM 59 O ARG B 6 2.161 -8.998 -3.340 1.00 0.45 O ATOM 60 CB ARG B 6 4.685 -11.015 -2.503 1.00 0.56 C ATOM 61 CG ARG B 6 5.252 -11.846 -3.660 1.00 0.78 C ATOM 62 CD ARG B 6 6.597 -12.450 -3.248 1.00 1.03 C ATOM 63 NE ARG B 6 6.285 -13.858 -2.866 1.00 0.88 N ATOM 64 CZ ARG B 6 6.016 -14.757 -3.783 1.00 0.73 C ATOM 65 NH1 ARG B 6 6.014 -14.438 -5.052 1.00 1.26 N ATOM 66 NH2 ARG B 6 5.745 -15.982 -3.426 1.00 1.43 N ATOM 0 H ARG B 6 5.943 -9.245 -1.490 1.00 0.48 H new ATOM 0 HA ARG B 6 4.539 -9.468 -4.039 1.00 0.46 H new ATOM 0 HB2 ARG B 6 5.379 -11.025 -1.663 1.00 0.56 H new ATOM 0 HB3 ARG B 6 3.752 -11.456 -2.151 1.00 0.56 H new ATOM 0 HG2 ARG B 6 4.553 -12.638 -3.929 1.00 0.78 H new ATOM 0 HG3 ARG B 6 5.378 -11.220 -4.543 1.00 0.78 H new ATOM 0 HD2 ARG B 6 7.314 -12.413 -4.068 1.00 1.03 H new ATOM 0 HD3 ARG B 6 7.037 -11.903 -2.414 1.00 1.03 H new ATOM 0 HE ARG B 6 6.281 -14.125 -1.881 1.00 0.88 H new ATOM 0 HH11 ARG B 6 6.223 -13.481 -5.338 1.00 1.26 H new ATOM 0 HH12 ARG B 6 5.803 -15.146 -5.755 1.00 1.26 H new ATOM 0 HH21 ARG B 6 5.743 -16.237 -2.438 1.00 1.43 H new ATOM 0 HH22 ARG B 6 5.535 -16.685 -4.135 1.00 1.43 H new ATOM 80 N ARG B 7 2.849 -9.039 -1.247 1.00 0.61 N ATOM 81 CA ARG B 7 1.501 -8.660 -0.769 1.00 0.80 C ATOM 82 C ARG B 7 1.112 -7.315 -1.381 1.00 0.65 C ATOM 83 O ARG B 7 -0.035 -7.066 -1.688 1.00 0.56 O ATOM 84 CB ARG B 7 1.615 -8.564 0.753 1.00 1.16 C ATOM 85 CG ARG B 7 0.337 -7.944 1.330 1.00 1.10 C ATOM 86 CD ARG B 7 0.598 -7.489 2.763 1.00 0.92 C ATOM 87 NE ARG B 7 -0.341 -6.355 2.996 1.00 0.41 N ATOM 88 CZ ARG B 7 -1.620 -6.579 3.180 1.00 0.93 C ATOM 89 NH1 ARG B 7 -2.094 -7.800 3.156 1.00 1.08 N ATOM 90 NH2 ARG B 7 -2.428 -5.578 3.385 1.00 1.61 N ATOM 0 H ARG B 7 3.554 -9.173 -0.522 1.00 0.61 H new ATOM 0 HA ARG B 7 0.734 -9.380 -1.054 1.00 0.80 H new ATOM 0 HB2 ARG B 7 1.774 -9.555 1.178 1.00 1.16 H new ATOM 0 HB3 ARG B 7 2.479 -7.958 1.025 1.00 1.16 H new ATOM 0 HG2 ARG B 7 0.022 -7.098 0.719 1.00 1.10 H new ATOM 0 HG3 ARG B 7 -0.475 -8.671 1.310 1.00 1.10 H new ATOM 0 HD2 ARG B 7 0.420 -8.298 3.471 1.00 0.92 H new ATOM 0 HD3 ARG B 7 1.634 -7.175 2.893 1.00 0.92 H new ATOM 0 HE ARG B 7 0.013 -5.399 3.012 1.00 0.41 H new ATOM 0 HH11 ARG B 7 -1.467 -8.588 2.993 1.00 1.08 H new ATOM 0 HH12 ARG B 7 -3.090 -7.963 3.300 1.00 1.08 H new ATOM 0 HH21 ARG B 7 -2.065 -4.625 3.402 1.00 1.61 H new ATOM 0 HH22 ARG B 7 -3.424 -5.747 3.529 1.00 1.61 H new ATOM 104 N ARG B 8 2.076 -6.453 -1.572 1.00 0.68 N ATOM 105 CA ARG B 8 1.786 -5.122 -2.180 1.00 0.67 C ATOM 106 C ARG B 8 1.080 -5.327 -3.506 1.00 0.48 C ATOM 107 O ARG B 8 0.129 -4.639 -3.827 1.00 0.50 O ATOM 108 CB ARG B 8 3.161 -4.480 -2.383 1.00 0.77 C ATOM 109 CG ARG B 8 3.111 -2.982 -2.046 1.00 0.73 C ATOM 110 CD ARG B 8 2.532 -2.748 -0.637 1.00 0.73 C ATOM 111 NE ARG B 8 2.935 -3.929 0.188 1.00 0.85 N ATOM 112 CZ ARG B 8 2.306 -4.212 1.301 1.00 1.05 C ATOM 113 NH1 ARG B 8 1.316 -3.472 1.720 1.00 1.16 N ATOM 114 NH2 ARG B 8 2.672 -5.245 2.000 1.00 1.43 N ATOM 0 H ARG B 8 3.054 -6.614 -1.332 1.00 0.68 H new ATOM 0 HA ARG B 8 1.141 -4.496 -1.563 1.00 0.67 H new ATOM 0 HB2 ARG B 8 3.897 -4.976 -1.751 1.00 0.77 H new ATOM 0 HB3 ARG B 8 3.483 -4.616 -3.415 1.00 0.77 H new ATOM 0 HG2 ARG B 8 4.114 -2.559 -2.105 1.00 0.73 H new ATOM 0 HG3 ARG B 8 2.502 -2.460 -2.784 1.00 0.73 H new ATOM 0 HD2 ARG B 8 2.919 -1.824 -0.207 1.00 0.73 H new ATOM 0 HD3 ARG B 8 1.447 -2.653 -0.674 1.00 0.73 H new ATOM 0 HE ARG B 8 3.708 -4.520 -0.120 1.00 0.85 H new ATOM 0 HH11 ARG B 8 1.022 -2.659 1.178 1.00 1.16 H new ATOM 0 HH12 ARG B 8 0.836 -3.706 2.589 1.00 1.16 H new ATOM 0 HH21 ARG B 8 3.445 -5.829 1.680 1.00 1.43 H new ATOM 0 HH22 ARG B 8 2.187 -5.471 2.868 1.00 1.43 H new ATOM 128 N GLU B 9 1.500 -6.299 -4.258 1.00 0.38 N ATOM 129 CA GLU B 9 0.799 -6.572 -5.539 1.00 0.34 C ATOM 130 C GLU B 9 -0.640 -6.932 -5.200 1.00 0.31 C ATOM 131 O GLU B 9 -1.568 -6.602 -5.912 1.00 0.34 O ATOM 132 CB GLU B 9 1.534 -7.750 -6.181 1.00 0.40 C ATOM 133 CG GLU B 9 2.985 -7.355 -6.476 1.00 0.59 C ATOM 134 CD GLU B 9 3.288 -7.580 -7.958 1.00 1.24 C ATOM 135 OE1 GLU B 9 2.776 -6.826 -8.769 1.00 1.73 O ATOM 136 OE2 GLU B 9 4.028 -8.504 -8.258 1.00 1.88 O ATOM 0 H GLU B 9 2.288 -6.910 -4.046 1.00 0.38 H new ATOM 0 HA GLU B 9 0.792 -5.724 -6.224 1.00 0.34 H new ATOM 0 HB2 GLU B 9 1.510 -8.613 -5.515 1.00 0.40 H new ATOM 0 HB3 GLU B 9 1.033 -8.045 -7.103 1.00 0.40 H new ATOM 0 HG2 GLU B 9 3.148 -6.309 -6.216 1.00 0.59 H new ATOM 0 HG3 GLU B 9 3.665 -7.945 -5.862 1.00 0.59 H new ATOM 143 N ARG B 10 -0.823 -7.561 -4.073 1.00 0.31 N ATOM 144 CA ARG B 10 -2.192 -7.898 -3.624 1.00 0.38 C ATOM 145 C ARG B 10 -2.837 -6.632 -3.075 1.00 0.35 C ATOM 146 O ARG B 10 -4.039 -6.560 -2.902 1.00 0.40 O ATOM 147 CB ARG B 10 -2.014 -8.941 -2.519 1.00 0.46 C ATOM 148 CG ARG B 10 -2.610 -10.275 -2.973 1.00 0.73 C ATOM 149 CD ARG B 10 -1.994 -11.412 -2.156 1.00 0.67 C ATOM 150 NE ARG B 10 -2.873 -12.591 -2.410 1.00 1.55 N ATOM 151 CZ ARG B 10 -2.812 -13.241 -3.549 1.00 2.12 C ATOM 152 NH1 ARG B 10 -1.978 -12.872 -4.487 1.00 2.20 N ATOM 153 NH2 ARG B 10 -3.592 -14.268 -3.746 1.00 3.14 N ATOM 0 H ARG B 10 -0.076 -7.855 -3.444 1.00 0.31 H new ATOM 0 HA ARG B 10 -2.825 -8.284 -4.422 1.00 0.38 H new ATOM 0 HB2 ARG B 10 -0.956 -9.064 -2.288 1.00 0.46 H new ATOM 0 HB3 ARG B 10 -2.503 -8.605 -1.605 1.00 0.46 H new ATOM 0 HG2 ARG B 10 -3.692 -10.265 -2.844 1.00 0.73 H new ATOM 0 HG3 ARG B 10 -2.417 -10.429 -4.035 1.00 0.73 H new ATOM 0 HD2 ARG B 10 -0.968 -11.610 -2.467 1.00 0.67 H new ATOM 0 HD3 ARG B 10 -1.963 -11.164 -1.095 1.00 0.67 H new ATOM 0 HE ARG B 10 -3.529 -12.895 -1.690 1.00 1.55 H new ATOM 0 HH11 ARG B 10 -1.365 -12.070 -4.338 1.00 2.20 H new ATOM 0 HH12 ARG B 10 -1.941 -13.386 -5.367 1.00 2.20 H new ATOM 0 HH21 ARG B 10 -4.243 -14.561 -3.018 1.00 3.14 H new ATOM 0 HH22 ARG B 10 -3.550 -14.778 -4.628 1.00 3.14 H new ATOM 167 N ARG B 11 -2.045 -5.620 -2.818 1.00 0.29 N ATOM 168 CA ARG B 11 -2.621 -4.358 -2.305 1.00 0.29 C ATOM 169 C ARG B 11 -2.885 -3.400 -3.458 1.00 0.24 C ATOM 170 O ARG B 11 -3.335 -2.297 -3.248 1.00 0.25 O ATOM 171 CB ARG B 11 -1.575 -3.767 -1.364 1.00 0.32 C ATOM 172 CG ARG B 11 -1.373 -4.681 -0.145 1.00 0.41 C ATOM 173 CD ARG B 11 -2.715 -4.923 0.555 1.00 0.55 C ATOM 174 NE ARG B 11 -2.812 -6.408 0.676 1.00 1.59 N ATOM 175 CZ ARG B 11 -3.919 -6.975 1.090 1.00 2.18 C ATOM 176 NH1 ARG B 11 -4.963 -6.253 1.406 1.00 3.24 N ATOM 177 NH2 ARG B 11 -3.981 -8.275 1.189 1.00 1.76 N ATOM 0 H ARG B 11 -1.033 -5.621 -2.943 1.00 0.29 H new ATOM 0 HA ARG B 11 -3.568 -4.530 -1.793 1.00 0.29 H new ATOM 0 HB2 ARG B 11 -0.630 -3.642 -1.893 1.00 0.32 H new ATOM 0 HB3 ARG B 11 -1.890 -2.777 -1.036 1.00 0.32 H new ATOM 0 HG2 ARG B 11 -0.941 -5.631 -0.460 1.00 0.41 H new ATOM 0 HG3 ARG B 11 -0.668 -4.225 0.550 1.00 0.41 H new ATOM 0 HD2 ARG B 11 -2.745 -4.442 1.533 1.00 0.55 H new ATOM 0 HD3 ARG B 11 -3.544 -4.517 -0.025 1.00 0.55 H new ATOM 0 HE ARG B 11 -2.008 -6.988 0.434 1.00 1.59 H new ATOM 0 HH11 ARG B 11 -4.922 -5.237 1.332 1.00 3.24 H new ATOM 0 HH12 ARG B 11 -5.818 -6.706 1.727 1.00 3.24 H new ATOM 0 HH21 ARG B 11 -3.171 -8.844 0.945 1.00 1.76 H new ATOM 0 HH22 ARG B 11 -4.840 -8.722 1.511 1.00 1.76 H new ATOM 191 N ALA B 12 -2.636 -3.810 -4.679 1.00 0.24 N ATOM 192 CA ALA B 12 -2.920 -2.893 -5.823 1.00 0.28 C ATOM 193 C ALA B 12 -4.377 -2.444 -5.722 1.00 0.31 C ATOM 194 O ALA B 12 -4.744 -1.370 -6.155 1.00 0.33 O ATOM 195 CB ALA B 12 -2.690 -3.726 -7.083 1.00 0.34 C ATOM 0 H ALA B 12 -2.255 -4.723 -4.928 1.00 0.24 H new ATOM 0 HA ALA B 12 -2.290 -2.003 -5.831 1.00 0.28 H new ATOM 0 HB1 ALA B 12 -2.881 -3.113 -7.964 1.00 0.34 H new ATOM 0 HB2 ALA B 12 -1.659 -4.079 -7.103 1.00 0.34 H new ATOM 0 HB3 ALA B 12 -3.366 -4.581 -7.082 1.00 0.34 H new ATOM 201 N GLU B 13 -5.200 -3.257 -5.109 1.00 0.34 N ATOM 202 CA GLU B 13 -6.623 -2.879 -4.926 1.00 0.41 C ATOM 203 C GLU B 13 -6.704 -1.855 -3.798 1.00 0.38 C ATOM 204 O GLU B 13 -7.512 -0.949 -3.826 1.00 0.42 O ATOM 205 CB GLU B 13 -7.345 -4.172 -4.548 1.00 0.48 C ATOM 206 CG GLU B 13 -7.667 -4.966 -5.816 1.00 0.52 C ATOM 207 CD GLU B 13 -7.928 -6.429 -5.451 1.00 0.77 C ATOM 208 OE1 GLU B 13 -8.868 -6.676 -4.714 1.00 1.18 O ATOM 209 OE2 GLU B 13 -7.184 -7.276 -5.916 1.00 1.15 O ATOM 0 H GLU B 13 -4.941 -4.167 -4.728 1.00 0.34 H new ATOM 0 HA GLU B 13 -7.070 -2.436 -5.816 1.00 0.41 H new ATOM 0 HB2 GLU B 13 -6.721 -4.768 -3.882 1.00 0.48 H new ATOM 0 HB3 GLU B 13 -8.263 -3.944 -4.006 1.00 0.48 H new ATOM 0 HG2 GLU B 13 -8.541 -4.542 -6.311 1.00 0.52 H new ATOM 0 HG3 GLU B 13 -6.838 -4.898 -6.520 1.00 0.52 H new ATOM 216 N LYS B 14 -5.837 -1.969 -2.822 1.00 0.33 N ATOM 217 CA LYS B 14 -5.832 -0.974 -1.718 1.00 0.33 C ATOM 218 C LYS B 14 -5.109 0.270 -2.227 1.00 0.28 C ATOM 219 O LYS B 14 -5.458 1.394 -1.924 1.00 0.30 O ATOM 220 CB LYS B 14 -5.049 -1.639 -0.583 1.00 0.31 C ATOM 221 CG LYS B 14 -5.792 -2.885 -0.098 1.00 0.38 C ATOM 222 CD LYS B 14 -6.915 -2.474 0.860 1.00 1.23 C ATOM 223 CE LYS B 14 -6.981 -3.464 2.026 1.00 1.37 C ATOM 224 NZ LYS B 14 -8.312 -3.228 2.653 1.00 1.83 N ATOM 0 H LYS B 14 -5.137 -2.707 -2.747 1.00 0.33 H new ATOM 0 HA LYS B 14 -6.826 -0.682 -1.379 1.00 0.33 H new ATOM 0 HB2 LYS B 14 -4.052 -1.911 -0.928 1.00 0.31 H new ATOM 0 HB3 LYS B 14 -4.921 -0.938 0.241 1.00 0.31 H new ATOM 0 HG2 LYS B 14 -6.206 -3.428 -0.948 1.00 0.38 H new ATOM 0 HG3 LYS B 14 -5.100 -3.560 0.405 1.00 0.38 H new ATOM 0 HD2 LYS B 14 -6.737 -1.466 1.235 1.00 1.23 H new ATOM 0 HD3 LYS B 14 -7.868 -2.454 0.332 1.00 1.23 H new ATOM 0 HE2 LYS B 14 -6.885 -4.492 1.677 1.00 1.37 H new ATOM 0 HE3 LYS B 14 -6.173 -3.292 2.737 1.00 1.37 H new ATOM 0 HZ1 LYS B 14 -8.433 -3.870 3.462 1.00 1.83 H new ATOM 0 HZ2 LYS B 14 -8.372 -2.243 2.981 1.00 1.83 H new ATOM 0 HZ3 LYS B 14 -9.061 -3.406 1.954 1.00 1.83 H new ATOM 238 N GLN B 15 -4.107 0.046 -3.026 1.00 0.25 N ATOM 239 CA GLN B 15 -3.321 1.153 -3.624 1.00 0.24 C ATOM 240 C GLN B 15 -4.156 1.868 -4.676 1.00 0.28 C ATOM 241 O GLN B 15 -4.273 3.071 -4.675 1.00 0.28 O ATOM 242 CB GLN B 15 -2.130 0.446 -4.279 1.00 0.24 C ATOM 243 CG GLN B 15 -0.863 0.725 -3.480 1.00 0.25 C ATOM 244 CD GLN B 15 0.102 -0.449 -3.643 1.00 0.30 C ATOM 245 OE1 GLN B 15 1.133 -0.324 -4.271 1.00 0.35 O ATOM 246 NE2 GLN B 15 -0.200 -1.594 -3.097 1.00 0.33 N ATOM 0 H GLN B 15 -3.793 -0.886 -3.296 1.00 0.25 H new ATOM 0 HA GLN B 15 -3.014 1.904 -2.896 1.00 0.24 H new ATOM 0 HB2 GLN B 15 -2.313 -0.628 -4.325 1.00 0.24 H new ATOM 0 HB3 GLN B 15 -2.008 0.793 -5.305 1.00 0.24 H new ATOM 0 HG2 GLN B 15 -0.395 1.647 -3.827 1.00 0.25 H new ATOM 0 HG3 GLN B 15 -1.107 0.868 -2.427 1.00 0.25 H new ATOM 0 HE21 GLN B 15 -1.068 -1.695 -2.570 1.00 0.33 H new ATOM 0 HE22 GLN B 15 0.431 -2.389 -3.197 1.00 0.33 H new ATOM 255 N ALA B 16 -4.741 1.134 -5.575 1.00 0.35 N ATOM 256 CA ALA B 16 -5.575 1.781 -6.628 1.00 0.41 C ATOM 257 C ALA B 16 -6.795 2.432 -5.984 1.00 0.40 C ATOM 258 O ALA B 16 -7.317 3.412 -6.478 1.00 0.43 O ATOM 259 CB ALA B 16 -5.990 0.653 -7.573 1.00 0.48 C ATOM 0 H ALA B 16 -4.680 0.117 -5.629 1.00 0.35 H new ATOM 0 HA ALA B 16 -5.038 2.563 -7.164 1.00 0.41 H new ATOM 0 HB1 ALA B 16 -6.608 1.058 -8.374 1.00 0.48 H new ATOM 0 HB2 ALA B 16 -5.100 0.190 -8.000 1.00 0.48 H new ATOM 0 HB3 ALA B 16 -6.558 -0.095 -7.020 1.00 0.48 H new ATOM 265 N GLN B 17 -7.239 1.917 -4.867 1.00 0.40 N ATOM 266 CA GLN B 17 -8.406 2.546 -4.191 1.00 0.42 C ATOM 267 C GLN B 17 -7.907 3.776 -3.448 1.00 0.37 C ATOM 268 O GLN B 17 -8.560 4.800 -3.392 1.00 0.40 O ATOM 269 CB GLN B 17 -8.931 1.493 -3.217 1.00 0.45 C ATOM 270 CG GLN B 17 -9.909 0.569 -3.944 1.00 0.53 C ATOM 271 CD GLN B 17 -11.236 1.298 -4.163 1.00 0.66 C ATOM 272 OE1 GLN B 17 -11.509 2.296 -3.524 1.00 1.06 O ATOM 273 NE2 GLN B 17 -12.081 0.841 -5.046 1.00 1.33 N ATOM 0 H GLN B 17 -6.848 1.098 -4.400 1.00 0.40 H new ATOM 0 HA GLN B 17 -9.193 2.857 -4.879 1.00 0.42 H new ATOM 0 HB2 GLN B 17 -8.102 0.914 -2.809 1.00 0.45 H new ATOM 0 HB3 GLN B 17 -9.428 1.976 -2.375 1.00 0.45 H new ATOM 0 HG2 GLN B 17 -9.490 0.260 -4.901 1.00 0.53 H new ATOM 0 HG3 GLN B 17 -10.072 -0.337 -3.360 1.00 0.53 H new ATOM 0 HE21 GLN B 17 -11.854 0.004 -5.583 1.00 1.33 H new ATOM 0 HE22 GLN B 17 -12.968 1.321 -5.199 1.00 1.33 H new ATOM 282 N TRP B 18 -6.726 3.681 -2.911 1.00 0.32 N ATOM 283 CA TRP B 18 -6.129 4.835 -2.198 1.00 0.30 C ATOM 284 C TRP B 18 -5.628 5.838 -3.230 1.00 0.31 C ATOM 285 O TRP B 18 -5.875 7.024 -3.148 1.00 0.35 O ATOM 286 CB TRP B 18 -4.940 4.254 -1.435 1.00 0.25 C ATOM 287 CG TRP B 18 -4.147 5.376 -0.851 1.00 0.24 C ATOM 288 CD1 TRP B 18 -4.240 5.851 0.407 1.00 0.30 C ATOM 289 CD2 TRP B 18 -3.139 6.171 -1.510 1.00 0.24 C ATOM 290 NE1 TRP B 18 -3.354 6.911 0.545 1.00 0.31 N ATOM 291 CE2 TRP B 18 -2.646 7.133 -0.610 1.00 0.29 C ATOM 292 CE3 TRP B 18 -2.613 6.139 -2.794 1.00 0.28 C ATOM 293 CZ2 TRP B 18 -1.659 8.039 -0.987 1.00 0.34 C ATOM 294 CZ3 TRP B 18 -1.627 7.031 -3.179 1.00 0.36 C ATOM 295 CH2 TRP B 18 -1.148 7.981 -2.285 1.00 0.38 C ATOM 0 H TRP B 18 -6.144 2.843 -2.937 1.00 0.32 H new ATOM 0 HA TRP B 18 -6.835 5.337 -1.537 1.00 0.30 H new ATOM 0 HB2 TRP B 18 -5.288 3.587 -0.646 1.00 0.25 H new ATOM 0 HB3 TRP B 18 -4.317 3.660 -2.103 1.00 0.25 H new ATOM 0 HD1 TRP B 18 -4.894 5.471 1.178 1.00 0.30 H new ATOM 0 HE1 TRP B 18 -3.243 7.457 1.399 1.00 0.31 H new ATOM 0 HE3 TRP B 18 -2.978 5.409 -3.502 1.00 0.28 H new ATOM 0 HZ2 TRP B 18 -1.294 8.775 -0.286 1.00 0.34 H new ATOM 0 HZ3 TRP B 18 -1.227 6.988 -4.181 1.00 0.36 H new ATOM 0 HH2 TRP B 18 -0.380 8.675 -2.594 1.00 0.38 H new ATOM 306 N LYS B 19 -4.921 5.344 -4.202 1.00 0.30 N ATOM 307 CA LYS B 19 -4.377 6.223 -5.268 1.00 0.37 C ATOM 308 C LYS B 19 -5.534 6.928 -5.941 1.00 0.46 C ATOM 309 O LYS B 19 -5.441 8.073 -6.336 1.00 0.70 O ATOM 310 CB LYS B 19 -3.673 5.287 -6.255 1.00 0.40 C ATOM 311 CG LYS B 19 -2.331 4.815 -5.689 1.00 0.49 C ATOM 312 CD LYS B 19 -1.610 3.962 -6.735 1.00 0.96 C ATOM 313 CE LYS B 19 -0.857 4.872 -7.706 1.00 1.30 C ATOM 314 NZ LYS B 19 0.404 4.144 -8.017 1.00 1.92 N ATOM 0 H LYS B 19 -4.694 4.355 -4.305 1.00 0.30 H new ATOM 0 HA LYS B 19 -3.689 6.978 -4.888 1.00 0.37 H new ATOM 0 HB2 LYS B 19 -4.308 4.426 -6.464 1.00 0.40 H new ATOM 0 HB3 LYS B 19 -3.513 5.803 -7.202 1.00 0.40 H new ATOM 0 HG2 LYS B 19 -1.716 5.673 -5.417 1.00 0.49 H new ATOM 0 HG3 LYS B 19 -2.491 4.236 -4.779 1.00 0.49 H new ATOM 0 HD2 LYS B 19 -0.915 3.280 -6.246 1.00 0.96 H new ATOM 0 HD3 LYS B 19 -2.329 3.349 -7.278 1.00 0.96 H new ATOM 0 HE2 LYS B 19 -1.440 5.055 -8.609 1.00 1.30 H new ATOM 0 HE3 LYS B 19 -0.651 5.844 -7.257 1.00 1.30 H new ATOM 0 HZ1 LYS B 19 1.197 4.817 -8.038 1.00 1.92 H new ATOM 0 HZ2 LYS B 19 0.579 3.425 -7.286 1.00 1.92 H new ATOM 0 HZ3 LYS B 19 0.318 3.681 -8.944 1.00 1.92 H new ATOM 328 N ALA B 20 -6.637 6.245 -6.060 1.00 0.44 N ATOM 329 CA ALA B 20 -7.815 6.875 -6.691 1.00 0.52 C ATOM 330 C ALA B 20 -8.257 8.079 -5.861 1.00 0.56 C ATOM 331 O ALA B 20 -8.800 9.038 -6.375 1.00 0.74 O ATOM 332 CB ALA B 20 -8.900 5.807 -6.696 1.00 0.55 C ATOM 0 H ALA B 20 -6.768 5.283 -5.748 1.00 0.44 H new ATOM 0 HA ALA B 20 -7.602 7.229 -7.699 1.00 0.52 H new ATOM 0 HB1 ALA B 20 -9.805 6.209 -7.152 1.00 0.55 H new ATOM 0 HB2 ALA B 20 -8.558 4.944 -7.268 1.00 0.55 H new ATOM 0 HB3 ALA B 20 -9.115 5.502 -5.672 1.00 0.55 H new ATOM 338 N ALA B 21 -8.026 8.032 -4.575 1.00 0.54 N ATOM 339 CA ALA B 21 -8.427 9.171 -3.702 1.00 0.66 C ATOM 340 C ALA B 21 -7.203 9.785 -3.035 1.00 0.73 C ATOM 341 O ALA B 21 -7.282 10.367 -1.972 1.00 0.99 O ATOM 342 CB ALA B 21 -9.372 8.573 -2.664 1.00 0.71 C ATOM 0 H ALA B 21 -7.577 7.253 -4.093 1.00 0.54 H new ATOM 0 HA ALA B 21 -8.908 9.970 -4.267 1.00 0.66 H new ATOM 0 HB1 ALA B 21 -9.709 9.356 -1.985 1.00 0.71 H new ATOM 0 HB2 ALA B 21 -10.234 8.133 -3.167 1.00 0.71 H new ATOM 0 HB3 ALA B 21 -8.850 7.802 -2.098 1.00 0.71 H new ATOM 348 N ASN B 22 -6.082 9.674 -3.677 1.00 0.73 N ATOM 349 CA ASN B 22 -4.829 10.265 -3.121 1.00 0.88 C ATOM 350 C ASN B 22 -3.831 10.566 -4.242 1.00 1.08 C ATOM 351 O ASN B 22 -2.674 10.205 -4.154 1.00 0.00 O ATOM 352 CB ASN B 22 -4.250 9.226 -2.168 1.00 0.93 C ATOM 353 CG ASN B 22 -5.167 9.078 -0.958 1.00 0.94 C ATOM 354 OD1 ASN B 22 -5.395 10.023 -0.228 1.00 1.13 O ATOM 355 ND2 ASN B 22 -5.705 7.923 -0.716 1.00 0.94 N ATOM 0 H ASN B 22 -5.973 9.196 -4.571 1.00 0.73 H new ATOM 0 HA ASN B 22 -5.034 11.205 -2.609 1.00 0.88 H new ATOM 0 HB2 ASN B 22 -4.145 8.268 -2.678 1.00 0.93 H new ATOM 0 HB3 ASN B 22 -3.253 9.527 -1.847 1.00 0.93 H new ATOM 0 HD21 ASN B 22 -6.321 7.806 0.088 1.00 0.94 H new ATOM 0 HD22 ASN B 22 -5.512 7.132 -1.330 1.00 0.94 H new ATOM 362 N PRO B 23 -4.305 11.252 -5.247 1.00 0.00 N ATOM 363 CA PRO B 23 -3.436 11.639 -6.372 1.00 0.00 C ATOM 364 C PRO B 23 -2.474 12.698 -5.852 1.00 0.00 C ATOM 365 O PRO B 23 -1.356 12.831 -6.307 1.00 0.00 O ATOM 366 CB PRO B 23 -4.403 12.204 -7.408 1.00 0.00 C ATOM 367 CG PRO B 23 -5.591 12.642 -6.617 1.00 0.00 C ATOM 368 CD PRO B 23 -5.668 11.735 -5.417 1.00 0.00 C ATOM 0 HA PRO B 23 -2.842 10.832 -6.800 1.00 0.00 H new ATOM 0 HB2 PRO B 23 -3.959 13.038 -7.951 1.00 0.00 H new ATOM 0 HB3 PRO B 23 -4.675 11.451 -8.148 1.00 0.00 H new ATOM 0 HG2 PRO B 23 -5.489 13.683 -6.310 1.00 0.00 H new ATOM 0 HG3 PRO B 23 -6.501 12.573 -7.214 1.00 0.00 H new ATOM 0 HD2 PRO B 23 -6.014 12.272 -4.533 1.00 0.00 H new ATOM 0 HD3 PRO B 23 -6.364 10.913 -5.583 1.00 0.00 H new ATOM 376 N LEU B 24 -2.910 13.432 -4.861 1.00 0.00 N ATOM 377 CA LEU B 24 -2.034 14.469 -4.248 1.00 0.00 C ATOM 378 C LEU B 24 -0.749 13.799 -3.765 1.00 0.00 C ATOM 379 O LEU B 24 0.332 14.347 -3.846 1.00 0.00 O ATOM 380 CB LEU B 24 -2.858 15.043 -3.076 1.00 0.00 C ATOM 381 CG LEU B 24 -2.612 14.254 -1.768 1.00 0.00 C ATOM 382 CD1 LEU B 24 -3.138 15.068 -0.585 1.00 0.00 C ATOM 383 CD2 LEU B 24 -3.339 12.896 -1.807 1.00 0.00 C ATOM 0 H LEU B 24 -3.840 13.356 -4.450 1.00 0.00 H new ATOM 0 HA LEU B 24 -1.742 15.261 -4.938 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -2.596 16.090 -2.925 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -3.918 15.012 -3.326 1.00 0.00 H new ATOM 0 HG LEU B 24 -1.542 14.077 -1.661 1.00 0.00 H new ATOM 0 HD11 LEU B 24 -2.968 14.517 0.340 1.00 0.00 H new ATOM 0 HD12 LEU B 24 -2.616 16.024 -0.540 1.00 0.00 H new ATOM 0 HD13 LEU B 24 -4.206 15.244 -0.711 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -3.153 12.357 -0.878 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -4.410 13.060 -1.923 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -2.969 12.309 -2.647 1.00 0.00 H new ATOM 395 N LEU B 25 -0.876 12.588 -3.304 1.00 0.00 N ATOM 396 CA LEU B 25 0.305 11.815 -2.853 1.00 0.00 C ATOM 397 C LEU B 25 0.653 10.854 -3.974 1.00 0.00 C ATOM 398 O LEU B 25 1.070 9.732 -3.765 1.00 0.00 O ATOM 399 CB LEU B 25 -0.172 11.063 -1.613 1.00 0.00 C ATOM 400 CG LEU B 25 0.047 11.928 -0.370 1.00 0.00 C ATOM 401 CD1 LEU B 25 -0.836 11.417 0.769 1.00 0.00 C ATOM 402 CD2 LEU B 25 1.516 11.851 0.051 1.00 0.00 C ATOM 0 H LEU B 25 -1.765 12.095 -3.221 1.00 0.00 H new ATOM 0 HA LEU B 25 1.183 12.418 -2.622 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -1.228 10.812 -1.712 1.00 0.00 H new ATOM 0 HB3 LEU B 25 0.371 10.123 -1.514 1.00 0.00 H new ATOM 0 HG LEU B 25 -0.214 12.962 -0.596 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -0.680 12.033 1.655 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -1.883 11.470 0.470 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -0.575 10.383 0.996 1.00 0.00 H new ATOM 0 HD21 LEU B 25 1.673 12.467 0.936 1.00 0.00 H new ATOM 0 HD22 LEU B 25 1.776 10.817 0.277 1.00 0.00 H new ATOM 0 HD23 LEU B 25 2.147 12.214 -0.760 1.00 0.00 H new ATOM 414 N VAL B 26 0.435 11.303 -5.170 1.00 0.00 N ATOM 415 CA VAL B 26 0.681 10.465 -6.360 1.00 0.00 C ATOM 416 C VAL B 26 1.026 11.370 -7.545 1.00 0.00 C ATOM 417 O VAL B 26 0.219 12.163 -7.986 1.00 0.00 O ATOM 418 CB VAL B 26 -0.657 9.735 -6.552 1.00 0.00 C ATOM 419 CG1 VAL B 26 -1.102 9.787 -8.014 1.00 0.00 C ATOM 420 CG2 VAL B 26 -0.484 8.283 -6.112 1.00 0.00 C ATOM 0 H VAL B 26 0.088 12.240 -5.375 1.00 0.00 H new ATOM 0 HA VAL B 26 1.512 9.766 -6.265 1.00 0.00 H new ATOM 0 HB VAL B 26 -1.424 10.224 -5.951 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -2.052 9.263 -8.124 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -1.223 10.826 -8.321 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -0.349 9.309 -8.641 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -1.425 7.749 -6.242 1.00 0.00 H new ATOM 0 HG22 VAL B 26 0.288 7.809 -6.717 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -0.191 8.253 -5.062 1.00 0.00 H new ATOM 430 N GLY B 27 2.220 11.273 -8.048 1.00 0.00 N ATOM 431 CA GLY B 27 2.617 12.151 -9.189 1.00 0.00 C ATOM 432 C GLY B 27 2.837 13.576 -8.666 1.00 0.00 C ATOM 433 O GLY B 27 3.885 14.162 -8.856 1.00 0.00 O ATOM 0 H GLY B 27 2.940 10.627 -7.723 1.00 0.00 H new ATOM 0 HA2 GLY B 27 3.528 11.775 -9.654 1.00 0.00 H new ATOM 0 HA3 GLY B 27 1.842 12.146 -9.956 1.00 0.00 H new ATOM 437 N VAL B 28 1.853 14.133 -8.000 1.00 0.00 N ATOM 438 CA VAL B 28 1.988 15.516 -7.444 1.00 0.00 C ATOM 439 C VAL B 28 3.300 15.643 -6.659 1.00 0.00 C ATOM 440 O VAL B 28 3.994 14.671 -6.446 1.00 0.00 O ATOM 441 CB VAL B 28 0.770 15.673 -6.520 1.00 0.00 C ATOM 442 CG1 VAL B 28 1.018 16.771 -5.477 1.00 0.00 C ATOM 443 CG2 VAL B 28 -0.453 16.046 -7.360 1.00 0.00 C ATOM 0 H VAL B 28 0.955 13.684 -7.817 1.00 0.00 H new ATOM 0 HA VAL B 28 2.017 16.285 -8.216 1.00 0.00 H new ATOM 0 HB VAL B 28 0.600 14.729 -6.002 1.00 0.00 H new ATOM 0 HG11 VAL B 28 0.143 16.866 -4.833 1.00 0.00 H new ATOM 0 HG12 VAL B 28 1.887 16.509 -4.873 1.00 0.00 H new ATOM 0 HG13 VAL B 28 1.200 17.719 -5.983 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -1.320 16.159 -6.710 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -0.265 16.985 -7.880 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -0.647 15.260 -8.090 1.00 0.00 H new ATOM 453 N SER B 29 3.638 16.834 -6.228 1.00 0.00 N ATOM 454 CA SER B 29 4.898 17.022 -5.455 1.00 0.00 C ATOM 455 C SER B 29 4.928 16.099 -4.233 1.00 0.00 C ATOM 456 O SER B 29 4.658 16.508 -3.121 1.00 0.00 O ATOM 457 CB SER B 29 4.889 18.484 -5.017 1.00 0.00 C ATOM 458 OG SER B 29 3.612 18.808 -4.481 1.00 0.00 O ATOM 0 H SER B 29 3.093 17.683 -6.380 1.00 0.00 H new ATOM 0 HA SER B 29 5.777 16.780 -6.053 1.00 0.00 H new ATOM 0 HB2 SER B 29 5.664 18.656 -4.270 1.00 0.00 H new ATOM 0 HB3 SER B 29 5.115 19.131 -5.865 1.00 0.00 H new ATOM 0 HG SER B 29 3.397 18.190 -3.751 1.00 0.00 H new ATOM 464 N ALA B 30 5.260 14.857 -4.441 1.00 0.00 N ATOM 465 CA ALA B 30 5.324 13.879 -3.318 1.00 0.00 C ATOM 466 C ALA B 30 5.847 12.552 -3.853 1.00 0.00 C ATOM 467 O ALA B 30 5.361 11.489 -3.519 1.00 0.00 O ATOM 468 CB ALA B 30 3.886 13.734 -2.814 1.00 0.00 C ATOM 0 H ALA B 30 5.494 14.471 -5.356 1.00 0.00 H new ATOM 0 HA ALA B 30 5.987 14.200 -2.514 1.00 0.00 H new ATOM 0 HB1 ALA B 30 3.861 13.027 -1.985 1.00 0.00 H new ATOM 0 HB2 ALA B 30 3.520 14.703 -2.475 1.00 0.00 H new ATOM 0 HB3 ALA B 30 3.252 13.369 -3.622 1.00 0.00 H new ATOM 474 N LYS B 31 6.837 12.622 -4.693 1.00 0.00 N ATOM 475 CA LYS B 31 7.419 11.383 -5.286 1.00 0.00 C ATOM 476 C LYS B 31 8.950 11.455 -5.259 1.00 0.00 C ATOM 477 O LYS B 31 9.560 11.968 -6.175 1.00 0.00 O ATOM 478 CB LYS B 31 6.905 11.345 -6.732 1.00 0.00 C ATOM 479 CG LYS B 31 7.084 12.719 -7.391 1.00 0.00 C ATOM 480 CD LYS B 31 7.623 12.542 -8.811 1.00 0.00 C ATOM 481 CE LYS B 31 6.456 12.345 -9.782 1.00 0.00 C ATOM 482 NZ LYS B 31 7.073 11.781 -11.014 1.00 0.00 N ATOM 0 H LYS B 31 7.274 13.491 -4.999 1.00 0.00 H new ATOM 0 HA LYS B 31 7.132 10.488 -4.733 1.00 0.00 H new ATOM 0 HB2 LYS B 31 7.446 10.588 -7.299 1.00 0.00 H new ATOM 0 HB3 LYS B 31 5.853 11.061 -6.745 1.00 0.00 H new ATOM 0 HG2 LYS B 31 6.131 13.248 -7.416 1.00 0.00 H new ATOM 0 HG3 LYS B 31 7.771 13.328 -6.804 1.00 0.00 H new ATOM 0 HD2 LYS B 31 8.207 13.416 -9.101 1.00 0.00 H new ATOM 0 HD3 LYS B 31 8.293 11.683 -8.852 1.00 0.00 H new ATOM 0 HE2 LYS B 31 5.709 11.668 -9.369 1.00 0.00 H new ATOM 0 HE3 LYS B 31 5.951 13.289 -9.989 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 6.335 11.618 -11.728 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 7.775 12.450 -11.388 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 7.540 10.880 -10.787 1.00 0.00 H new ATOM 496 N PRO B 32 9.521 10.939 -4.199 1.00 0.00 N ATOM 497 CA PRO B 32 10.998 10.950 -4.052 1.00 0.00 C ATOM 498 C PRO B 32 11.643 9.933 -4.999 1.00 0.00 C ATOM 499 O PRO B 32 11.110 8.867 -5.238 1.00 0.00 O ATOM 500 CB PRO B 32 11.216 10.550 -2.596 1.00 0.00 C ATOM 501 CG PRO B 32 9.995 9.773 -2.219 1.00 0.00 C ATOM 502 CD PRO B 32 8.858 10.303 -3.053 1.00 0.00 C ATOM 0 HA PRO B 32 11.443 11.914 -4.297 1.00 0.00 H new ATOM 0 HB2 PRO B 32 12.117 9.947 -2.483 1.00 0.00 H new ATOM 0 HB3 PRO B 32 11.337 11.427 -1.960 1.00 0.00 H new ATOM 0 HG2 PRO B 32 10.144 8.709 -2.402 1.00 0.00 H new ATOM 0 HG3 PRO B 32 9.779 9.886 -1.157 1.00 0.00 H new ATOM 0 HD2 PRO B 32 8.191 9.502 -3.372 1.00 0.00 H new ATOM 0 HD3 PRO B 32 8.254 11.018 -2.495 1.00 0.00 H new ATOM 510 N VAL B 33 12.788 10.258 -5.535 1.00 0.00 N ATOM 511 CA VAL B 33 13.478 9.315 -6.465 1.00 0.00 C ATOM 512 C VAL B 33 14.944 9.147 -6.056 1.00 0.00 C ATOM 513 O VAL B 33 15.779 8.770 -6.854 1.00 0.00 O ATOM 514 CB VAL B 33 13.383 9.968 -7.848 1.00 0.00 C ATOM 515 CG1 VAL B 33 11.927 9.971 -8.316 1.00 0.00 C ATOM 516 CG2 VAL B 33 13.899 11.408 -7.776 1.00 0.00 C ATOM 0 H VAL B 33 13.277 11.137 -5.369 1.00 0.00 H new ATOM 0 HA VAL B 33 13.025 8.324 -6.452 1.00 0.00 H new ATOM 0 HB VAL B 33 13.990 9.402 -8.554 1.00 0.00 H new ATOM 0 HG11 VAL B 33 11.862 10.436 -9.300 1.00 0.00 H new ATOM 0 HG12 VAL B 33 11.561 8.946 -8.374 1.00 0.00 H new ATOM 0 HG13 VAL B 33 11.318 10.533 -7.608 1.00 0.00 H new ATOM 0 HG21 VAL B 33 13.830 11.869 -8.761 1.00 0.00 H new ATOM 0 HG22 VAL B 33 13.296 11.975 -7.067 1.00 0.00 H new ATOM 0 HG23 VAL B 33 14.939 11.406 -7.449 1.00 0.00 H new ATOM 526 N ASN B 34 15.264 9.429 -4.818 1.00 0.00 N ATOM 527 CA ASN B 34 16.679 9.292 -4.354 1.00 0.00 C ATOM 528 C ASN B 34 17.615 10.048 -5.302 1.00 0.00 C ATOM 529 O ASN B 34 18.604 9.519 -5.772 1.00 0.00 O ATOM 530 CB ASN B 34 16.970 7.788 -4.384 1.00 0.00 C ATOM 531 CG ASN B 34 17.222 7.283 -2.961 1.00 0.00 C ATOM 532 OD1 ASN B 34 18.317 6.872 -2.635 1.00 0.00 O ATOM 533 ND2 ASN B 34 16.247 7.297 -2.094 1.00 0.00 N ATOM 0 H ASN B 34 14.606 9.749 -4.107 1.00 0.00 H new ATOM 0 HA ASN B 34 16.831 9.708 -3.358 1.00 0.00 H new ATOM 0 HB2 ASN B 34 16.129 7.254 -4.826 1.00 0.00 H new ATOM 0 HB3 ASN B 34 17.839 7.588 -5.010 1.00 0.00 H new ATOM 0 HD21 ASN B 34 16.405 6.963 -1.143 1.00 0.00 H new ATOM 0 HD22 ASN B 34 15.327 7.642 -2.367 1.00 0.00 H new ATOM 540 N ARG B 35 17.302 11.281 -5.584 1.00 0.00 N ATOM 541 CA ARG B 35 18.160 12.083 -6.504 1.00 0.00 C ATOM 542 C ARG B 35 18.042 13.577 -6.172 1.00 0.00 C ATOM 543 O ARG B 35 17.733 14.378 -7.032 1.00 0.00 O ATOM 544 CB ARG B 35 17.605 11.793 -7.903 1.00 0.00 C ATOM 545 CG ARG B 35 18.745 11.373 -8.833 1.00 0.00 C ATOM 546 CD ARG B 35 18.304 11.548 -10.288 1.00 0.00 C ATOM 547 NE ARG B 35 17.202 10.561 -10.480 1.00 0.00 N ATOM 548 CZ ARG B 35 17.460 9.280 -10.581 1.00 0.00 C ATOM 549 NH1 ARG B 35 18.689 8.836 -10.515 1.00 0.00 N ATOM 550 NH2 ARG B 35 16.478 8.436 -10.750 1.00 0.00 N ATOM 0 H ARG B 35 16.486 11.771 -5.217 1.00 0.00 H new ATOM 0 HA ARG B 35 19.216 11.826 -6.421 1.00 0.00 H new ATOM 0 HB2 ARG B 35 16.856 11.003 -7.851 1.00 0.00 H new ATOM 0 HB3 ARG B 35 17.108 12.679 -8.298 1.00 0.00 H new ATOM 0 HG2 ARG B 35 19.631 11.976 -8.635 1.00 0.00 H new ATOM 0 HG3 ARG B 35 19.018 10.334 -8.646 1.00 0.00 H new ATOM 0 HD2 ARG B 35 17.960 12.565 -10.476 1.00 0.00 H new ATOM 0 HD3 ARG B 35 19.128 11.358 -10.976 1.00 0.00 H new ATOM 0 HE ARG B 35 16.237 10.887 -10.533 1.00 0.00 H new ATOM 0 HH11 ARG B 35 19.461 9.490 -10.383 1.00 0.00 H new ATOM 0 HH12 ARG B 35 18.875 7.836 -10.595 1.00 0.00 H new ATOM 0 HH21 ARG B 35 15.517 8.775 -10.803 1.00 0.00 H new ATOM 0 HH22 ARG B 35 16.672 7.438 -10.829 1.00 0.00 H new ATOM 564 N PRO B 36 18.295 13.906 -4.929 1.00 0.00 N ATOM 565 CA PRO B 36 18.213 15.321 -4.490 1.00 0.00 C ATOM 566 C PRO B 36 19.399 16.120 -5.037 1.00 0.00 C ATOM 567 O PRO B 36 19.253 17.319 -5.208 1.00 0.00 O ATOM 568 CB PRO B 36 18.276 15.230 -2.968 1.00 0.00 C ATOM 569 CG PRO B 36 18.981 13.941 -2.685 1.00 0.00 C ATOM 570 CD PRO B 36 18.676 13.008 -3.829 1.00 0.00 C ATOM 571 OXT PRO B 36 20.433 15.519 -5.277 1.00 0.00 O ATOM 0 HA PRO B 36 17.315 15.827 -4.845 1.00 0.00 H new ATOM 0 HB2 PRO B 36 18.816 16.076 -2.544 1.00 0.00 H new ATOM 0 HB3 PRO B 36 17.278 15.238 -2.531 1.00 0.00 H new ATOM 0 HG2 PRO B 36 20.055 14.101 -2.595 1.00 0.00 H new ATOM 0 HG3 PRO B 36 18.642 13.516 -1.740 1.00 0.00 H new ATOM 0 HD2 PRO B 36 19.543 12.401 -4.091 1.00 0.00 H new ATOM 0 HD3 PRO B 36 17.869 12.319 -3.578 1.00 0.00 H new TER 579 PRO B 36 ATOM 580 P G A 1 13.306 -16.770 0.092 1.00 1.31 P ATOM 581 OP1 G A 1 12.526 -16.987 -1.153 1.00 1.51 O ATOM 582 OP2 G A 1 14.578 -16.007 0.037 1.00 1.52 O ATOM 583 O5' G A 1 12.350 -16.073 1.160 1.00 1.09 O ATOM 584 C5' G A 1 12.612 -16.185 2.571 1.00 1.03 C ATOM 585 C4' G A 1 11.592 -17.089 3.222 1.00 0.94 C ATOM 586 O4' G A 1 11.797 -17.056 4.656 1.00 1.02 O ATOM 587 C3' G A 1 10.148 -16.651 3.040 1.00 0.80 C ATOM 588 O3' G A 1 9.614 -17.185 1.833 1.00 0.75 O ATOM 589 C2' G A 1 9.453 -17.249 4.259 1.00 0.78 C ATOM 590 O2' G A 1 9.044 -18.588 4.057 1.00 0.77 O ATOM 591 C1' G A 1 10.554 -17.190 5.318 1.00 0.90 C ATOM 592 N9 G A 1 10.375 -16.040 6.191 1.00 0.90 N ATOM 593 C8 G A 1 11.017 -14.829 6.112 1.00 0.97 C ATOM 594 N7 G A 1 10.618 -13.979 7.019 1.00 0.99 N ATOM 595 C5 G A 1 9.659 -14.676 7.741 1.00 0.90 C ATOM 596 C6 G A 1 8.874 -14.271 8.844 1.00 0.88 C ATOM 597 O6 G A 1 8.871 -13.182 9.420 1.00 0.94 O ATOM 598 N1 G A 1 8.021 -15.285 9.272 1.00 0.82 N ATOM 599 C2 G A 1 7.942 -16.534 8.702 1.00 0.81 C ATOM 600 N2 G A 1 7.061 -17.384 9.254 1.00 0.83 N ATOM 601 N3 G A 1 8.671 -16.923 7.670 1.00 0.83 N ATOM 602 C4 G A 1 9.502 -15.949 7.245 1.00 0.86 C ATOM 0 H5' G A 1 12.581 -15.198 3.033 1.00 1.03 H new ATOM 0 H5'' G A 1 13.615 -16.581 2.732 1.00 1.03 H new ATOM 0 H4' G A 1 11.735 -18.062 2.752 1.00 0.94 H new ATOM 0 H3' G A 1 10.026 -15.570 2.967 1.00 0.80 H new ATOM 0 H2' G A 1 8.538 -16.716 4.516 1.00 0.78 H new ATOM 0 HO2' G A 1 9.128 -18.816 3.108 1.00 0.77 H new ATOM 0 H1' G A 1 10.516 -18.098 5.919 1.00 0.90 H new ATOM 0 H8 G A 1 11.774 -14.603 5.376 1.00 0.97 H new ATOM 0 H1 G A 1 7.411 -15.087 10.065 1.00 0.82 H new ATOM 0 H21 G A 1 6.956 -18.326 8.876 1.00 0.83 H new ATOM 0 H22 G A 1 6.497 -17.088 10.051 1.00 0.83 H new ATOM 614 P C A 2 8.508 -16.352 1.016 1.00 0.69 P ATOM 615 OP1 C A 2 8.252 -17.080 -0.253 1.00 0.82 O ATOM 616 OP2 C A 2 8.932 -14.930 0.974 1.00 0.84 O ATOM 617 O5' C A 2 7.202 -16.461 1.921 1.00 0.58 O ATOM 618 C5' C A 2 6.452 -17.687 1.990 1.00 0.57 C ATOM 619 C4' C A 2 5.189 -17.482 2.792 1.00 0.55 C ATOM 620 O4' C A 2 5.549 -17.211 4.168 1.00 0.54 O ATOM 621 C3' C A 2 4.378 -16.265 2.387 1.00 0.51 C ATOM 622 O3' C A 2 3.507 -16.596 1.305 1.00 0.59 O ATOM 623 C2' C A 2 3.594 -15.945 3.657 1.00 0.53 C ATOM 624 O2' C A 2 2.383 -16.671 3.750 1.00 0.67 O ATOM 625 C1' C A 2 4.558 -16.393 4.761 1.00 0.51 C ATOM 626 N1 C A 2 5.232 -15.274 5.434 1.00 0.45 N ATOM 627 C2 C A 2 4.671 -14.774 6.608 1.00 0.44 C ATOM 628 O2 C A 2 3.625 -15.286 7.033 1.00 0.49 O ATOM 629 N3 C A 2 5.279 -13.751 7.250 1.00 0.43 N ATOM 630 C4 C A 2 6.405 -13.232 6.758 1.00 0.45 C ATOM 631 N4 C A 2 6.971 -12.225 7.428 1.00 0.49 N ATOM 632 C5 C A 2 6.999 -13.721 5.559 1.00 0.47 C ATOM 633 C6 C A 2 6.386 -14.736 4.933 1.00 0.46 C ATOM 0 H5' C A 2 7.059 -18.468 2.448 1.00 0.57 H new ATOM 0 H5'' C A 2 6.202 -18.026 0.985 1.00 0.57 H new ATOM 0 H4' C A 2 4.605 -18.388 2.630 1.00 0.55 H new ATOM 0 H3' C A 2 4.979 -15.425 2.039 1.00 0.51 H new ATOM 0 H2' C A 2 3.298 -14.897 3.704 1.00 0.53 H new ATOM 0 HO2' C A 2 1.661 -16.159 3.329 1.00 0.67 H new ATOM 0 H1' C A 2 3.972 -16.919 5.515 1.00 0.51 H new ATOM 0 H41 C A 2 7.833 -11.803 7.082 1.00 0.49 H new ATOM 0 H42 C A 2 6.542 -11.878 8.286 1.00 0.49 H new ATOM 0 H5 C A 2 7.909 -13.290 5.169 1.00 0.47 H new ATOM 0 H6 C A 2 6.808 -15.134 4.022 1.00 0.46 H new ATOM 645 P C A 3 2.149 -15.764 1.079 1.00 0.67 P ATOM 646 OP1 C A 3 1.040 -16.490 1.749 1.00 1.20 O ATOM 647 OP2 C A 3 2.055 -15.457 -0.371 1.00 1.00 O ATOM 648 O5' C A 3 2.392 -14.394 1.855 1.00 0.89 O ATOM 649 C5' C A 3 1.352 -13.400 1.943 1.00 0.68 C ATOM 650 C4' C A 3 0.790 -13.356 3.342 1.00 0.61 C ATOM 651 O4' C A 3 1.898 -13.472 4.268 1.00 0.67 O ATOM 652 C3' C A 3 0.124 -12.042 3.704 1.00 0.56 C ATOM 653 O3' C A 3 -1.256 -12.041 3.316 1.00 0.57 O ATOM 654 C2' C A 3 0.323 -11.952 5.214 1.00 0.57 C ATOM 655 O2' C A 3 -0.671 -12.612 5.972 1.00 0.64 O ATOM 656 C1' C A 3 1.659 -12.669 5.410 1.00 0.62 C ATOM 657 N1 C A 3 2.779 -11.728 5.535 1.00 0.61 N ATOM 658 C2 C A 3 2.873 -10.941 6.684 1.00 0.56 C ATOM 659 O2 C A 3 2.008 -11.065 7.563 1.00 0.55 O ATOM 660 N3 C A 3 3.899 -10.069 6.808 1.00 0.58 N ATOM 661 C4 C A 3 4.808 -9.968 5.837 1.00 0.65 C ATOM 662 N4 C A 3 5.804 -9.094 6.002 1.00 0.71 N ATOM 663 C5 C A 3 4.737 -10.758 4.653 1.00 0.71 C ATOM 664 C6 C A 3 3.715 -11.618 4.543 1.00 0.68 C ATOM 0 H5' C A 3 0.559 -13.629 1.232 1.00 0.68 H new ATOM 0 H5'' C A 3 1.750 -12.422 1.672 1.00 0.68 H new ATOM 0 H4' C A 3 0.052 -14.156 3.395 1.00 0.61 H new ATOM 0 H3' C A 3 0.545 -11.178 3.190 1.00 0.56 H new ATOM 0 H2' C A 3 0.281 -10.917 5.552 1.00 0.57 H new ATOM 0 HO2' C A 3 -0.825 -13.506 5.602 1.00 0.64 H new ATOM 0 H1' C A 3 1.597 -13.255 6.327 1.00 0.62 H new ATOM 0 H41 C A 3 6.517 -8.991 5.280 1.00 0.71 H new ATOM 0 H42 C A 3 5.852 -8.530 6.850 1.00 0.71 H new ATOM 0 H5 C A 3 5.479 -10.667 3.874 1.00 0.71 H new ATOM 0 H6 C A 3 3.629 -12.233 3.659 1.00 0.68 H new ATOM 676 P C A 4 -2.353 -12.812 4.206 1.00 0.57 P ATOM 677 OP1 C A 4 -1.704 -14.016 4.784 1.00 0.60 O ATOM 678 OP2 C A 4 -3.581 -12.969 3.384 1.00 0.73 O ATOM 679 O5' C A 4 -2.683 -11.782 5.378 1.00 0.61 O ATOM 680 C5' C A 4 -2.872 -10.381 5.097 1.00 0.51 C ATOM 681 C4' C A 4 -2.814 -9.574 6.371 1.00 0.47 C ATOM 682 O4' C A 4 -1.508 -9.749 6.971 1.00 0.55 O ATOM 683 C3' C A 4 -2.932 -8.074 6.165 1.00 0.45 C ATOM 684 O3' C A 4 -4.309 -7.685 6.086 1.00 0.51 O ATOM 685 C2' C A 4 -2.204 -7.504 7.380 1.00 0.47 C ATOM 686 O2' C A 4 -3.009 -7.382 8.536 1.00 0.57 O ATOM 687 C1' C A 4 -1.120 -8.556 7.626 1.00 0.48 C ATOM 688 N1 C A 4 0.188 -8.150 7.092 1.00 0.43 N ATOM 689 C2 C A 4 0.927 -7.184 7.776 1.00 0.39 C ATOM 690 O2 C A 4 0.458 -6.687 8.811 1.00 0.43 O ATOM 691 N3 C A 4 2.133 -6.813 7.290 1.00 0.38 N ATOM 692 C4 C A 4 2.598 -7.369 6.172 1.00 0.45 C ATOM 693 N4 C A 4 3.787 -6.980 5.726 1.00 0.51 N ATOM 694 C5 C A 4 1.864 -8.352 5.458 1.00 0.51 C ATOM 695 C6 C A 4 0.674 -8.710 5.945 1.00 0.48 C ATOM 0 H5' C A 4 -3.834 -10.229 4.607 1.00 0.51 H new ATOM 0 H5'' C A 4 -2.103 -10.036 4.406 1.00 0.51 H new ATOM 0 H4' C A 4 -3.651 -9.928 6.973 1.00 0.47 H new ATOM 0 H3' C A 4 -2.500 -7.709 5.233 1.00 0.45 H new ATOM 0 H2' C A 4 -1.852 -6.490 7.190 1.00 0.47 H new ATOM 0 HO2' C A 4 -3.450 -8.238 8.720 1.00 0.57 H new ATOM 0 H1' C A 4 -1.019 -8.688 8.703 1.00 0.48 H new ATOM 0 H41 C A 4 4.170 -7.387 4.873 1.00 0.51 H new ATOM 0 H42 C A 4 4.317 -6.274 6.237 1.00 0.51 H new ATOM 0 H5 C A 4 2.254 -8.794 4.553 1.00 0.51 H new ATOM 0 H6 C A 4 0.087 -9.453 5.425 1.00 0.48 H new ATOM 707 P U A 5 -5.207 -7.593 7.415 1.00 0.57 P ATOM 708 OP1 U A 5 -4.726 -8.605 8.390 1.00 0.77 O ATOM 709 OP2 U A 5 -6.629 -7.608 6.986 1.00 0.62 O ATOM 710 O5' U A 5 -4.885 -6.135 7.971 1.00 0.49 O ATOM 711 C5' U A 5 -4.175 -5.182 7.156 1.00 0.45 C ATOM 712 C4' U A 5 -3.453 -4.184 8.028 1.00 0.41 C ATOM 713 O4' U A 5 -2.113 -4.675 8.254 1.00 0.47 O ATOM 714 C3' U A 5 -3.220 -2.822 7.394 1.00 0.35 C ATOM 715 O3' U A 5 -4.346 -1.967 7.582 1.00 0.36 O ATOM 716 C2' U A 5 -2.019 -2.297 8.169 1.00 0.41 C ATOM 717 O2' U A 5 -2.384 -1.629 9.363 1.00 0.50 O ATOM 718 C1' U A 5 -1.254 -3.580 8.498 1.00 0.43 C ATOM 719 N1 U A 5 -0.055 -3.729 7.666 1.00 0.43 N ATOM 720 C2 U A 5 0.990 -2.879 7.935 1.00 0.40 C ATOM 721 O2 U A 5 0.943 -2.040 8.820 1.00 0.39 O ATOM 722 N3 U A 5 2.088 -3.041 7.130 1.00 0.43 N ATOM 723 C4 U A 5 2.241 -3.943 6.106 1.00 0.50 C ATOM 724 O4 U A 5 3.295 -3.959 5.467 1.00 0.54 O ATOM 725 C5 U A 5 1.111 -4.795 5.889 1.00 0.55 C ATOM 726 C6 U A 5 0.024 -4.663 6.659 1.00 0.51 C ATOM 0 H5' U A 5 -4.873 -4.663 6.499 1.00 0.45 H new ATOM 0 H5'' U A 5 -3.461 -5.701 6.517 1.00 0.45 H new ATOM 0 H4' U A 5 -4.086 -4.073 8.909 1.00 0.41 H new ATOM 0 H3' U A 5 -3.063 -2.871 6.316 1.00 0.35 H new ATOM 0 H2' U A 5 -1.453 -1.560 7.600 1.00 0.41 H new ATOM 0 HO2' U A 5 -3.331 -1.380 9.322 1.00 0.50 H new ATOM 0 H1' U A 5 -0.937 -3.539 9.540 1.00 0.43 H new ATOM 0 H3 U A 5 2.879 -2.423 7.312 1.00 0.43 H new ATOM 0 H5 U A 5 1.135 -5.540 5.108 1.00 0.55 H new ATOM 0 H6 U A 5 -0.821 -5.313 6.484 1.00 0.51 H new ATOM 737 P G A 6 -4.778 -0.951 6.411 1.00 0.43 P ATOM 738 OP1 G A 6 -6.261 -0.955 6.352 1.00 0.54 O ATOM 739 OP2 G A 6 -3.996 -1.291 5.196 1.00 0.65 O ATOM 740 O5' G A 6 -4.314 0.484 6.933 1.00 0.43 O ATOM 741 C5' G A 6 -2.977 0.708 7.432 1.00 0.47 C ATOM 742 C4' G A 6 -2.190 1.559 6.460 1.00 0.47 C ATOM 743 O4' G A 6 -0.800 1.146 6.492 1.00 0.53 O ATOM 744 C3' G A 6 -2.590 1.375 5.009 1.00 0.39 C ATOM 745 O3' G A 6 -3.677 2.238 4.686 1.00 0.41 O ATOM 746 C2' G A 6 -1.326 1.773 4.253 1.00 0.48 C ATOM 747 O2' G A 6 -1.251 3.163 3.999 1.00 0.59 O ATOM 748 C1' G A 6 -0.214 1.350 5.216 1.00 0.49 C ATOM 749 N9 G A 6 0.432 0.106 4.809 1.00 0.50 N ATOM 750 C8 G A 6 -0.104 -1.153 4.879 1.00 0.60 C ATOM 751 N7 G A 6 0.710 -2.083 4.456 1.00 0.63 N ATOM 752 C5 G A 6 1.853 -1.392 4.075 1.00 0.54 C ATOM 753 C6 G A 6 3.074 -1.866 3.525 1.00 0.55 C ATOM 754 O6 G A 6 3.402 -3.029 3.270 1.00 0.61 O ATOM 755 N1 G A 6 3.963 -0.827 3.270 1.00 0.55 N ATOM 756 C2 G A 6 3.708 0.499 3.516 1.00 0.57 C ATOM 757 N2 G A 6 4.694 1.358 3.199 1.00 0.70 N ATOM 758 N3 G A 6 2.575 0.956 4.031 1.00 0.53 N ATOM 759 C4 G A 6 1.699 -0.039 4.285 1.00 0.49 C ATOM 0 H5' G A 6 -2.472 -0.247 7.581 1.00 0.47 H new ATOM 0 H5'' G A 6 -3.022 1.200 8.403 1.00 0.47 H new ATOM 0 H4' G A 6 -2.375 2.587 6.770 1.00 0.47 H new ATOM 0 H3' G A 6 -2.926 0.366 4.769 1.00 0.39 H new ATOM 0 H2' G A 6 -1.275 1.309 3.268 1.00 0.48 H new ATOM 0 HO2' G A 6 -0.313 3.446 4.004 1.00 0.59 H new ATOM 0 H1' G A 6 0.544 2.133 5.225 1.00 0.49 H new ATOM 0 H8 G A 6 -1.099 -1.356 5.247 1.00 0.60 H new ATOM 0 H1 G A 6 4.870 -1.068 2.871 1.00 0.55 H new ATOM 0 H21 G A 6 4.569 2.358 3.356 1.00 0.70 H new ATOM 0 H22 G A 6 5.566 1.009 2.801 1.00 0.70 H new ATOM 771 P A A 7 -4.517 1.989 3.341 1.00 0.43 P ATOM 772 OP1 A A 7 -5.154 3.278 2.968 1.00 0.74 O ATOM 773 OP2 A A 7 -5.361 0.782 3.534 1.00 0.66 O ATOM 774 O5' A A 7 -3.402 1.653 2.257 1.00 0.33 O ATOM 775 C5' A A 7 -3.758 1.378 0.892 1.00 0.29 C ATOM 776 C4' A A 7 -2.759 2.011 -0.043 1.00 0.23 C ATOM 777 O4' A A 7 -2.840 3.448 0.083 1.00 0.23 O ATOM 778 C3' A A 7 -1.306 1.721 0.282 1.00 0.25 C ATOM 779 O3' A A 7 -0.918 0.477 -0.281 1.00 0.27 O ATOM 780 C2' A A 7 -0.576 2.880 -0.389 1.00 0.24 C ATOM 781 O2' A A 7 -0.274 2.637 -1.749 1.00 0.25 O ATOM 782 C1' A A 7 -1.594 4.012 -0.277 1.00 0.21 C ATOM 783 N9 A A 7 -1.219 5.003 0.731 1.00 0.24 N ATOM 784 C8 A A 7 -1.788 5.228 1.959 1.00 0.29 C ATOM 785 N7 A A 7 -1.212 6.192 2.638 1.00 0.33 N ATOM 786 C5 A A 7 -0.199 6.631 1.798 1.00 0.30 C ATOM 787 C6 A A 7 0.777 7.635 1.932 1.00 0.34 C ATOM 788 N6 A A 7 0.895 8.414 3.010 1.00 0.39 N ATOM 789 N1 A A 7 1.639 7.814 0.907 1.00 0.35 N ATOM 790 C2 A A 7 1.518 7.032 -0.174 1.00 0.32 C ATOM 791 N3 A A 7 0.647 6.059 -0.417 1.00 0.27 N ATOM 792 C4 A A 7 -0.193 5.908 0.621 1.00 0.25 C ATOM 0 H5' A A 7 -4.756 1.763 0.684 1.00 0.29 H new ATOM 0 H5'' A A 7 -3.791 0.301 0.727 1.00 0.29 H new ATOM 0 H4' A A 7 -3.013 1.604 -1.022 1.00 0.23 H new ATOM 0 H3' A A 7 -1.097 1.645 1.349 1.00 0.25 H new ATOM 0 H2' A A 7 0.390 3.077 0.076 1.00 0.24 H new ATOM 0 HO2' A A 7 0.191 3.413 -2.125 1.00 0.25 H new ATOM 0 H1' A A 7 -1.641 4.523 -1.239 1.00 0.21 H new ATOM 0 H8 A A 7 -2.631 4.665 2.332 1.00 0.29 H new ATOM 0 H61 A A 7 1.625 9.126 3.047 1.00 0.39 H new ATOM 0 H62 A A 7 0.255 8.297 3.796 1.00 0.39 H new ATOM 0 H2 A A 7 2.232 7.220 -0.962 1.00 0.32 H new ATOM 804 P A A 8 -0.027 -0.540 0.579 1.00 0.37 P ATOM 805 OP1 A A 8 -0.399 -1.920 0.185 1.00 0.44 O ATOM 806 OP2 A A 8 -0.131 -0.131 2.003 1.00 0.47 O ATOM 807 O5' A A 8 1.458 -0.250 0.086 1.00 0.38 O ATOM 808 C5' A A 8 1.705 0.297 -1.222 1.00 0.39 C ATOM 809 C4' A A 8 2.738 1.393 -1.143 1.00 0.43 C ATOM 810 O4' A A 8 2.150 2.547 -0.496 1.00 0.37 O ATOM 811 C3' A A 8 3.927 1.056 -0.265 1.00 0.53 C ATOM 812 O3' A A 8 4.924 0.323 -0.983 1.00 0.66 O ATOM 813 C2' A A 8 4.442 2.432 0.143 1.00 0.50 C ATOM 814 O2' A A 8 5.293 3.009 -0.826 1.00 0.58 O ATOM 815 C1' A A 8 3.146 3.241 0.235 1.00 0.38 C ATOM 816 N9 A A 8 2.676 3.385 1.610 1.00 0.36 N ATOM 817 C8 A A 8 1.630 2.729 2.206 1.00 0.42 C ATOM 818 N7 A A 8 1.435 3.072 3.457 1.00 0.47 N ATOM 819 C5 A A 8 2.426 4.014 3.702 1.00 0.41 C ATOM 820 C6 A A 8 2.769 4.749 4.850 1.00 0.44 C ATOM 821 N6 A A 8 2.114 4.660 6.011 1.00 0.54 N ATOM 822 N1 A A 8 3.821 5.592 4.764 1.00 0.40 N ATOM 823 C2 A A 8 4.478 5.681 3.600 1.00 0.36 C ATOM 824 N3 A A 8 4.250 5.043 2.454 1.00 0.35 N ATOM 825 C4 A A 8 3.198 4.215 2.573 1.00 0.35 C ATOM 0 H5' A A 8 0.778 0.690 -1.640 1.00 0.39 H new ATOM 0 H5'' A A 8 2.049 -0.489 -1.894 1.00 0.39 H new ATOM 0 H4' A A 8 3.062 1.553 -2.171 1.00 0.43 H new ATOM 0 H3' A A 8 3.667 0.419 0.581 1.00 0.53 H new ATOM 0 H2' A A 8 5.037 2.397 1.056 1.00 0.50 H new ATOM 0 HO2' A A 8 4.828 3.049 -1.688 1.00 0.58 H new ATOM 0 H1' A A 8 3.339 4.238 -0.161 1.00 0.38 H new ATOM 0 H8 A A 8 1.023 1.998 1.693 1.00 0.42 H new ATOM 0 H61 A A 8 2.412 5.221 6.809 1.00 0.54 H new ATOM 0 H62 A A 8 1.316 4.031 6.099 1.00 0.54 H new ATOM 0 H2 A A 8 5.311 6.368 3.590 1.00 0.36 H new ATOM 837 P A A 9 4.963 0.384 -2.591 1.00 1.47 P ATOM 838 OP1 A A 9 5.040 1.813 -2.980 1.00 2.33 O ATOM 839 OP2 A A 9 3.864 -0.463 -3.119 1.00 2.35 O ATOM 840 O5' A A 9 6.350 -0.304 -2.966 1.00 1.08 O ATOM 841 C5' A A 9 7.496 -0.162 -2.111 1.00 1.04 C ATOM 842 C4' A A 9 8.251 1.095 -2.460 1.00 1.09 C ATOM 843 O4' A A 9 7.696 1.648 -3.678 1.00 1.26 O ATOM 844 C3' A A 9 8.091 2.217 -1.455 1.00 0.99 C ATOM 845 O3' A A 9 9.015 2.074 -0.383 1.00 1.17 O ATOM 846 C2' A A 9 8.389 3.455 -2.290 1.00 1.26 C ATOM 847 O2' A A 9 9.775 3.713 -2.404 1.00 1.57 O ATOM 848 C1' A A 9 7.816 3.060 -3.654 1.00 1.29 C ATOM 849 N9 A A 9 6.485 3.619 -3.884 1.00 0.00 N ATOM 850 C8 A A 9 5.760 4.430 -3.048 1.00 0.00 C ATOM 851 N7 A A 9 4.589 4.773 -3.528 1.00 0.00 N ATOM 852 C5 A A 9 4.537 4.142 -4.761 1.00 0.00 C ATOM 853 C6 A A 9 3.547 4.094 -5.758 1.00 0.00 C ATOM 854 N6 A A 9 2.378 4.732 -5.673 1.00 0.00 N ATOM 855 N1 A A 9 3.803 3.356 -6.860 1.00 0.00 N ATOM 856 C2 A A 9 4.976 2.715 -6.943 1.00 0.00 C ATOM 857 N3 A A 9 5.983 2.684 -6.076 1.00 0.00 N ATOM 858 C4 A A 9 5.698 3.428 -4.994 1.00 0.00 C ATOM 0 H5' A A 9 8.148 -1.029 -2.218 1.00 1.04 H new ATOM 0 H5'' A A 9 7.179 -0.128 -1.069 1.00 1.04 H new ATOM 0 H4' A A 9 9.296 0.790 -2.517 1.00 1.09 H new ATOM 0 H3' A A 9 7.109 2.246 -0.982 1.00 0.99 H new ATOM 0 H2' A A 9 7.970 4.363 -1.858 1.00 1.26 H new ATOM 0 HO2' A A 9 10.263 3.172 -1.749 1.00 1.57 H new ATOM 0 H1' A A 9 8.484 3.443 -4.425 1.00 1.29 H new ATOM 0 H8 A A 9 6.121 4.756 -2.084 1.00 0.00 H new ATOM 0 H61 A A 9 1.700 4.658 -6.431 1.00 0.00 H new ATOM 0 H62 A A 9 2.163 5.294 -4.850 1.00 0.00 H new ATOM 0 H2 A A 9 5.125 2.140 -7.845 1.00 0.00 H new ATOM 870 P A A 10 8.660 1.100 0.845 1.00 1.33 P ATOM 871 OP1 A A 10 9.044 -0.284 0.467 1.00 2.11 O ATOM 872 OP2 A A 10 7.257 1.386 1.275 1.00 2.10 O ATOM 873 O5' A A 10 9.634 1.587 2.006 1.00 0.79 O ATOM 874 C5' A A 10 9.195 1.579 3.369 1.00 0.59 C ATOM 875 C4' A A 10 9.433 2.926 4.009 1.00 0.54 C ATOM 876 O4' A A 10 8.226 3.711 3.882 1.00 0.50 O ATOM 877 C3' A A 10 9.691 2.845 5.500 1.00 0.50 C ATOM 878 O3' A A 10 11.083 2.671 5.755 1.00 0.61 O ATOM 879 C2' A A 10 9.160 4.171 6.029 1.00 0.50 C ATOM 880 O2' A A 10 10.124 5.206 5.973 1.00 0.61 O ATOM 881 C1' A A 10 8.015 4.470 5.057 1.00 0.48 C ATOM 882 N9 A A 10 6.716 4.059 5.576 1.00 0.45 N ATOM 883 C8 A A 10 5.830 3.211 4.966 1.00 0.45 C ATOM 884 N7 A A 10 4.735 3.005 5.654 1.00 0.51 N ATOM 885 C5 A A 10 4.914 3.768 6.799 1.00 0.54 C ATOM 886 C6 A A 10 4.116 3.970 7.938 1.00 0.64 C ATOM 887 N6 A A 10 2.918 3.407 8.114 1.00 0.72 N ATOM 888 N1 A A 10 4.596 4.783 8.904 1.00 0.69 N ATOM 889 C2 A A 10 5.799 5.347 8.728 1.00 0.66 C ATOM 890 N3 A A 10 6.640 5.235 7.704 1.00 0.58 N ATOM 891 C4 A A 10 6.132 4.423 6.763 1.00 0.51 C ATOM 0 H5' A A 10 9.727 0.807 3.924 1.00 0.59 H new ATOM 0 H5'' A A 10 8.135 1.330 3.414 1.00 0.59 H new ATOM 0 H4' A A 10 10.303 3.352 3.509 1.00 0.54 H new ATOM 0 H3' A A 10 9.207 1.997 5.984 1.00 0.50 H new ATOM 0 H2' A A 10 8.870 4.114 7.078 1.00 0.50 H new ATOM 0 HO2' A A 10 10.623 5.235 6.816 1.00 0.61 H new ATOM 0 H1' A A 10 8.009 5.547 4.887 1.00 0.48 H new ATOM 0 H8 A A 10 6.017 2.754 4.006 1.00 0.45 H new ATOM 0 H61 A A 10 2.387 3.594 8.965 1.00 0.72 H new ATOM 0 H62 A A 10 2.534 2.790 7.398 1.00 0.72 H new ATOM 0 H2 A A 10 6.133 5.984 9.534 1.00 0.66 H new ATOM 903 P A A 11 11.690 3.074 7.187 1.00 0.62 P ATOM 904 OP1 A A 11 12.166 4.477 7.089 1.00 0.65 O ATOM 905 OP2 A A 11 12.634 2.008 7.609 1.00 0.77 O ATOM 906 O5' A A 11 10.435 3.044 8.167 1.00 0.58 O ATOM 907 C5' A A 11 10.429 3.814 9.384 1.00 0.56 C ATOM 908 C4' A A 11 9.153 3.563 10.152 1.00 0.49 C ATOM 909 O4' A A 11 8.074 3.394 9.201 1.00 0.46 O ATOM 910 C3' A A 11 9.146 2.280 10.967 1.00 0.47 C ATOM 911 O3' A A 11 9.676 2.506 12.272 1.00 0.51 O ATOM 912 C2' A A 11 7.666 1.923 11.033 1.00 0.43 C ATOM 913 O2' A A 11 6.996 2.562 12.102 1.00 0.47 O ATOM 914 C1' A A 11 7.143 2.451 9.697 1.00 0.42 C ATOM 915 N9 A A 11 7.007 1.391 8.699 1.00 0.41 N ATOM 916 C8 A A 11 7.927 1.002 7.758 1.00 0.46 C ATOM 917 N7 A A 11 7.517 0.016 6.993 1.00 0.47 N ATOM 918 C5 A A 11 6.241 -0.262 7.466 1.00 0.42 C ATOM 919 C6 A A 11 5.271 -1.205 7.082 1.00 0.43 C ATOM 920 N6 A A 11 5.427 -2.087 6.087 1.00 0.49 N ATOM 921 N1 A A 11 4.108 -1.216 7.767 1.00 0.40 N ATOM 922 C2 A A 11 3.938 -0.342 8.764 1.00 0.37 C ATOM 923 N3 A A 11 4.769 0.590 9.217 1.00 0.37 N ATOM 924 C4 A A 11 5.917 0.578 8.517 1.00 0.39 C ATOM 0 H5' A A 11 10.520 4.875 9.152 1.00 0.56 H new ATOM 0 H5'' A A 11 11.290 3.546 9.997 1.00 0.56 H new ATOM 0 H4' A A 11 9.051 4.414 10.826 1.00 0.49 H new ATOM 0 H3' A A 11 9.758 1.490 10.533 1.00 0.47 H new ATOM 0 H2' A A 11 7.506 0.858 11.200 1.00 0.43 H new ATOM 0 HO2' A A 11 7.633 2.746 12.824 1.00 0.47 H new ATOM 0 H1' A A 11 6.160 2.889 9.870 1.00 0.42 H new ATOM 0 H8 A A 11 8.898 1.464 7.656 1.00 0.46 H new ATOM 0 H61 A A 11 4.678 -2.743 5.865 1.00 0.49 H new ATOM 0 H62 A A 11 6.295 -2.103 5.551 1.00 0.49 H new ATOM 0 H2 A A 11 2.988 -0.402 9.275 1.00 0.37 H new ATOM 936 P G A 12 10.552 1.361 12.985 1.00 0.56 P ATOM 937 OP1 G A 12 11.391 2.023 14.016 1.00 0.68 O ATOM 938 OP2 G A 12 11.198 0.543 11.928 1.00 0.65 O ATOM 939 O5' G A 12 9.475 0.455 13.731 1.00 0.50 O ATOM 940 C5' G A 12 8.959 -0.739 13.112 1.00 0.47 C ATOM 941 C4' G A 12 7.453 -0.773 13.218 1.00 0.42 C ATOM 942 O4' G A 12 6.911 -0.498 11.906 1.00 0.40 O ATOM 943 C3' G A 12 6.871 -2.125 13.593 1.00 0.39 C ATOM 944 O3' G A 12 6.791 -2.270 15.009 1.00 0.43 O ATOM 945 C2' G A 12 5.484 -2.089 12.960 1.00 0.35 C ATOM 946 O2' G A 12 4.520 -1.473 13.794 1.00 0.37 O ATOM 947 C1' G A 12 5.720 -1.232 11.714 1.00 0.35 C ATOM 948 N9 G A 12 5.897 -2.037 10.512 1.00 0.33 N ATOM 949 C8 G A 12 6.976 -2.020 9.664 1.00 0.36 C ATOM 950 N7 G A 12 6.855 -2.852 8.665 1.00 0.36 N ATOM 951 C5 G A 12 5.623 -3.456 8.870 1.00 0.33 C ATOM 952 C6 G A 12 4.950 -4.442 8.110 1.00 0.36 C ATOM 953 O6 G A 12 5.324 -4.999 7.072 1.00 0.40 O ATOM 954 N1 G A 12 3.718 -4.770 8.668 1.00 0.36 N ATOM 955 C2 G A 12 3.205 -4.218 9.817 1.00 0.34 C ATOM 956 N2 G A 12 2.002 -4.667 10.202 1.00 0.37 N ATOM 957 N3 G A 12 3.824 -3.296 10.536 1.00 0.31 N ATOM 958 C4 G A 12 5.019 -2.963 10.006 1.00 0.31 C ATOM 0 H5' G A 12 9.385 -1.620 13.593 1.00 0.47 H new ATOM 0 H5'' G A 12 9.258 -0.772 12.064 1.00 0.47 H new ATOM 0 H4' G A 12 7.198 -0.052 13.995 1.00 0.42 H new ATOM 0 H3' G A 12 7.474 -2.966 13.250 1.00 0.39 H new ATOM 0 H2' G A 12 5.091 -3.087 12.765 1.00 0.35 H new ATOM 0 HO2' G A 12 4.836 -1.483 14.722 1.00 0.37 H new ATOM 0 H1' G A 12 4.847 -0.594 11.579 1.00 0.35 H new ATOM 0 H8 G A 12 7.837 -1.384 9.808 1.00 0.36 H new ATOM 0 H1 G A 12 3.154 -5.472 8.189 1.00 0.36 H new ATOM 0 H21 G A 12 1.566 -4.297 11.047 1.00 0.37 H new ATOM 0 H22 G A 12 1.523 -5.378 9.650 1.00 0.37 H new ATOM 970 P G A 13 7.538 -3.499 15.727 1.00 0.51 P ATOM 971 OP1 G A 13 7.830 -3.112 17.131 1.00 0.57 O ATOM 972 OP2 G A 13 8.649 -3.924 14.838 1.00 0.59 O ATOM 973 O5' G A 13 6.448 -4.661 15.745 1.00 0.57 O ATOM 974 C5' G A 13 5.199 -4.491 16.442 1.00 0.62 C ATOM 975 C4' G A 13 4.140 -5.378 15.840 1.00 0.60 C ATOM 976 O4' G A 13 3.945 -4.974 14.461 1.00 0.59 O ATOM 977 C3' G A 13 4.520 -6.842 15.726 1.00 0.59 C ATOM 978 O3' G A 13 4.270 -7.549 16.949 1.00 0.66 O ATOM 979 C2' G A 13 3.634 -7.332 14.588 1.00 0.57 C ATOM 980 O2' G A 13 2.348 -7.754 14.998 1.00 0.63 O ATOM 981 C1' G A 13 3.510 -6.089 13.707 1.00 0.54 C ATOM 982 N9 G A 13 4.330 -6.188 12.505 1.00 0.50 N ATOM 983 C8 G A 13 5.474 -5.489 12.203 1.00 0.54 C ATOM 984 N7 G A 13 5.980 -5.814 11.045 1.00 0.56 N ATOM 985 C5 G A 13 5.118 -6.786 10.554 1.00 0.50 C ATOM 986 C6 G A 13 5.149 -7.518 9.337 1.00 0.53 C ATOM 987 O6 G A 13 5.975 -7.451 8.419 1.00 0.60 O ATOM 988 N1 G A 13 4.078 -8.405 9.244 1.00 0.51 N ATOM 989 C2 G A 13 3.108 -8.564 10.202 1.00 0.48 C ATOM 990 N2 G A 13 2.157 -9.470 9.934 1.00 0.52 N ATOM 991 N3 G A 13 3.068 -7.891 11.336 1.00 0.47 N ATOM 992 C4 G A 13 4.095 -7.026 11.444 1.00 0.47 C ATOM 0 H5' G A 13 4.884 -3.449 16.389 1.00 0.62 H new ATOM 0 H5'' G A 13 5.328 -4.731 17.497 1.00 0.62 H new ATOM 0 H4' G A 13 3.278 -5.275 16.499 1.00 0.60 H new ATOM 0 H3' G A 13 5.581 -7.001 15.536 1.00 0.59 H new ATOM 0 H2' G A 13 4.063 -8.210 14.105 1.00 0.57 H new ATOM 0 HO2' G A 13 1.887 -7.013 15.443 1.00 0.63 H new ATOM 0 H1' G A 13 2.470 -5.988 13.395 1.00 0.54 H new ATOM 0 H8 G A 13 5.909 -4.747 12.856 1.00 0.54 H new ATOM 0 H1 G A 13 4.010 -8.978 8.403 1.00 0.51 H new ATOM 0 H21 G A 13 1.407 -9.636 10.605 1.00 0.52 H new ATOM 0 H22 G A 13 2.183 -9.993 9.059 1.00 0.52 H new ATOM 1004 P G A 14 2.764 -7.742 17.485 1.00 0.74 P ATOM 1005 OP1 G A 14 1.918 -6.646 16.948 1.00 0.90 O ATOM 1006 OP2 G A 14 2.846 -7.948 18.953 1.00 0.80 O ATOM 1007 O5' G A 14 2.285 -9.114 16.830 1.00 0.68 O ATOM 1008 C5' G A 14 0.885 -9.372 16.600 1.00 0.70 C ATOM 1009 C4' G A 14 0.699 -10.699 15.895 1.00 0.68 C ATOM 1010 O4' G A 14 0.813 -10.491 14.464 1.00 0.67 O ATOM 1011 C3' G A 14 1.759 -11.745 16.180 1.00 0.67 C ATOM 1012 O3' G A 14 1.478 -12.444 17.388 1.00 0.77 O ATOM 1013 C2' G A 14 1.636 -12.664 14.970 1.00 0.67 C ATOM 1014 O2' G A 14 0.592 -13.607 15.102 1.00 0.80 O ATOM 1015 C1' G A 14 1.296 -11.675 13.853 1.00 0.61 C ATOM 1016 N9 G A 14 2.468 -11.333 13.054 1.00 0.50 N ATOM 1017 C8 G A 14 3.390 -10.354 13.323 1.00 0.50 C ATOM 1018 N7 G A 14 4.343 -10.291 12.434 1.00 0.47 N ATOM 1019 C5 G A 14 4.030 -11.289 11.522 1.00 0.41 C ATOM 1020 C6 G A 14 4.704 -11.700 10.343 1.00 0.40 C ATOM 1021 O6 G A 14 5.745 -11.243 9.856 1.00 0.45 O ATOM 1022 N1 G A 14 4.046 -12.755 9.714 1.00 0.41 N ATOM 1023 C2 G A 14 2.885 -13.335 10.170 1.00 0.46 C ATOM 1024 N2 G A 14 2.396 -14.340 9.430 1.00 0.55 N ATOM 1025 N3 G A 14 2.249 -12.961 11.269 1.00 0.49 N ATOM 1026 C4 G A 14 2.873 -11.940 11.890 1.00 0.44 C ATOM 0 H5' G A 14 0.456 -8.571 15.999 1.00 0.70 H new ATOM 0 H5'' G A 14 0.350 -9.380 17.550 1.00 0.70 H new ATOM 0 H4' G A 14 -0.268 -11.053 16.252 1.00 0.68 H new ATOM 0 H3' G A 14 2.758 -11.332 16.316 1.00 0.67 H new ATOM 0 H2' G A 14 2.535 -13.258 14.809 1.00 0.67 H new ATOM 0 HO2' G A 14 0.556 -14.169 14.300 1.00 0.80 H new ATOM 0 H1' G A 14 0.559 -12.131 13.192 1.00 0.61 H new ATOM 0 H8 G A 14 3.333 -9.702 14.182 1.00 0.50 H new ATOM 0 H1 G A 14 4.454 -13.123 8.855 1.00 0.41 H new ATOM 0 H21 G A 14 1.538 -14.812 9.714 1.00 0.55 H new ATOM 0 H22 G A 14 2.882 -14.633 8.583 1.00 0.55 H new ATOM 1038 P C A 15 2.629 -13.330 18.076 1.00 0.87 P ATOM 1039 OP1 C A 15 2.060 -13.975 19.287 1.00 1.02 O ATOM 1040 OP2 C A 15 3.835 -12.474 18.199 1.00 0.91 O ATOM 1041 O5' C A 15 2.932 -14.464 16.998 1.00 0.85 O ATOM 1042 C5' C A 15 1.959 -15.483 16.712 1.00 0.94 C ATOM 1043 C4' C A 15 2.499 -16.450 15.682 1.00 0.97 C ATOM 1044 O4' C A 15 2.651 -15.770 14.414 1.00 0.84 O ATOM 1045 C3' C A 15 3.898 -16.963 15.968 1.00 1.09 C ATOM 1046 O3' C A 15 3.860 -18.074 16.871 1.00 1.31 O ATOM 1047 C2' C A 15 4.383 -17.398 14.589 1.00 1.09 C ATOM 1048 O2' C A 15 4.012 -18.725 14.270 1.00 1.30 O ATOM 1049 C1' C A 15 3.665 -16.413 13.663 1.00 0.89 C ATOM 1050 N1 C A 15 4.576 -15.391 13.131 1.00 0.75 N ATOM 1051 C2 C A 15 5.383 -15.716 12.036 1.00 0.77 C ATOM 1052 O2 C A 15 5.297 -16.847 11.537 1.00 0.89 O ATOM 1053 N3 C A 15 6.234 -14.794 11.548 1.00 0.70 N ATOM 1054 C4 C A 15 6.301 -13.589 12.106 1.00 0.66 C ATOM 1055 N4 C A 15 7.158 -12.719 11.586 1.00 0.71 N ATOM 1056 C5 C A 15 5.491 -13.226 13.220 1.00 0.64 C ATOM 1057 C6 C A 15 4.648 -14.150 13.699 1.00 0.66 C ATOM 0 H5' C A 15 1.040 -15.025 16.345 1.00 0.94 H new ATOM 0 H5'' C A 15 1.705 -16.019 17.626 1.00 0.94 H new ATOM 0 H4' C A 15 1.784 -17.273 15.689 1.00 0.97 H new ATOM 0 H3' C A 15 4.544 -16.223 16.441 1.00 1.09 H new ATOM 0 H2' C A 15 5.470 -17.388 14.513 1.00 1.09 H new ATOM 0 HO2' C A 15 3.877 -19.235 15.096 1.00 1.30 H new ATOM 0 HO3' C A 15 4.772 -18.390 17.040 1.00 1.31 H new ATOM 0 H1' C A 15 3.257 -16.967 12.818 1.00 0.89 H new ATOM 0 H41 C A 15 7.240 -11.784 11.985 1.00 0.71 H new ATOM 0 H42 C A 15 7.734 -12.986 10.788 1.00 0.71 H new ATOM 0 H5 C A 15 5.554 -12.243 13.662 1.00 0.64 H new ATOM 0 H6 C A 15 4.018 -13.912 14.543 1.00 0.66 H new TER 1069 C A 15