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= -5.57! USER MOD Single : A 2 C O2' : rot -77:sc= 0.346 USER MOD Single : A 3 C O2' : rot -21:sc= 0.157 USER MOD Single : A 4 C O2' : rot -17:sc= 0.24 USER MOD Single : A 5 U O2' : rot -91:sc= -2.29! USER MOD Single : A 6 G O2' : rot -178:sc= 0.942 USER MOD Single : A 7 A O2' : rot 180:sc= -4.77! USER MOD Single : A 8 A O2' : rot 47:sc= -2.05! USER MOD Single : A 9 A O2' : rot -17:sc= 0.16 USER MOD Single : A 10 A O2' : rot 180:sc=-0.00559 USER MOD Single : A 11 A O2' : rot -14:sc= 0.162 USER MOD Single : A 12 G O2' : rot -100:sc= -1.04! USER MOD Single : A 13 G O2' : rot 54:sc= -7.2! USER MOD Single : A 14 G O2' : rot 180:sc= -3.17! USER MOD Single : A 15 C O2' : rot -14:sc= 0.17 USER MOD Single : A 15 C O3' : rot 180:sc= 0.195 USER MOD Single : B 4 GLN : amide:sc= -0.747 X(o=-0.75,f=-0.29) 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= -4.37! C(o=-4.4!,f=-3.4!) USER MOD Single : B 17 GLN : amide:sc= -0.268 K(o=-0.27,f=-2.4!) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 ASN : amide:sc= -6.21! C(o=-6.2!,f=-5.8!) USER MOD Single : B 29 SER OG : rot 180:sc= -0.684 USER MOD Single : B 31 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.031) USER MOD Single : B 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP B 2 10.033 -13.279 -0.761 1.00 0.76 N ATOM 2 CA ASP B 2 9.444 -12.272 0.171 1.00 0.88 C ATOM 3 C ASP B 2 7.965 -12.572 0.406 1.00 0.68 C ATOM 4 O ASP B 2 7.492 -13.667 0.167 1.00 0.66 O ATOM 5 CB ASP B 2 9.602 -10.918 -0.528 1.00 1.25 C ATOM 6 CG ASP B 2 11.049 -10.740 -1.000 1.00 1.88 C ATOM 7 OD1 ASP B 2 11.382 -11.283 -2.040 1.00 2.37 O ATOM 8 OD2 ASP B 2 11.796 -10.065 -0.312 1.00 2.35 O ATOM 0 HA ASP B 2 9.938 -12.286 1.143 1.00 0.88 H new ATOM 0 HB2 ASP B 2 8.923 -10.857 -1.378 1.00 1.25 H new ATOM 0 HB3 ASP B 2 9.331 -10.113 0.155 1.00 1.25 H new ATOM 15 N ALA B 3 7.236 -11.601 0.871 1.00 0.63 N ATOM 16 CA ALA B 3 5.780 -11.807 1.128 1.00 0.58 C ATOM 17 C ALA B 3 5.063 -10.463 1.226 1.00 0.63 C ATOM 18 O ALA B 3 3.963 -10.300 0.734 1.00 0.61 O ATOM 19 CB ALA B 3 5.710 -12.553 2.460 1.00 0.75 C ATOM 0 H ALA B 3 7.584 -10.667 1.087 1.00 0.63 H new ATOM 0 HA ALA B 3 5.297 -12.364 0.326 1.00 0.58 H new ATOM 0 HB1 ALA B 3 4.668 -12.741 2.717 1.00 0.75 H new ATOM 0 HB2 ALA B 3 6.240 -13.502 2.374 1.00 0.75 H new ATOM 0 HB3 ALA B 3 6.173 -11.949 3.240 1.00 0.75 H new ATOM 25 N GLN B 4 5.677 -9.496 1.849 1.00 0.75 N ATOM 26 CA GLN B 4 5.026 -8.162 1.965 1.00 0.89 C ATOM 27 C GLN B 4 4.986 -7.510 0.594 1.00 0.79 C ATOM 28 O GLN B 4 3.934 -7.155 0.099 1.00 0.81 O ATOM 29 CB GLN B 4 5.904 -7.366 2.936 1.00 1.09 C ATOM 30 CG GLN B 4 5.093 -6.233 3.573 1.00 1.29 C ATOM 31 CD GLN B 4 5.627 -4.882 3.091 1.00 0.85 C ATOM 32 OE1 GLN B 4 6.264 -4.166 3.838 1.00 1.14 O ATOM 33 NE2 GLN B 4 5.393 -4.500 1.866 1.00 0.94 N ATOM 0 H GLN B 4 6.598 -9.571 2.281 1.00 0.75 H new ATOM 0 HA GLN B 4 3.999 -8.217 2.327 1.00 0.89 H new ATOM 0 HB2 GLN B 4 6.292 -8.026 3.712 1.00 1.09 H new ATOM 0 HB3 GLN B 4 6.764 -6.955 2.407 1.00 1.09 H new ATOM 0 HG2 GLN B 4 4.040 -6.334 3.309 1.00 1.29 H new ATOM 0 HG3 GLN B 4 5.157 -6.293 4.659 1.00 1.29 H new ATOM 0 HE21 GLN B 4 4.858 -5.100 1.238 1.00 0.94 H new ATOM 0 HE22 GLN B 4 5.745 -3.601 1.536 1.00 0.94 H new ATOM 42 N THR B 5 6.117 -7.384 -0.043 1.00 0.76 N ATOM 43 CA THR B 5 6.121 -6.797 -1.412 1.00 0.79 C ATOM 44 C THR B 5 5.114 -7.582 -2.251 1.00 0.59 C ATOM 45 O THR B 5 4.476 -7.059 -3.144 1.00 0.57 O ATOM 46 CB THR B 5 7.544 -6.995 -1.938 1.00 0.94 C ATOM 47 OG1 THR B 5 8.446 -6.221 -1.159 1.00 1.26 O ATOM 48 CG2 THR B 5 7.614 -6.551 -3.398 1.00 0.94 C ATOM 0 H THR B 5 7.030 -7.659 0.320 1.00 0.76 H new ATOM 0 HA THR B 5 5.848 -5.742 -1.439 1.00 0.79 H new ATOM 0 HB THR B 5 7.816 -8.048 -1.868 1.00 0.94 H new ATOM 0 HG1 THR B 5 9.359 -6.348 -1.493 1.00 1.26 H new ATOM 0 HG21 THR B 5 8.628 -6.692 -3.773 1.00 0.94 H new ATOM 0 HG22 THR B 5 6.921 -7.146 -3.993 1.00 0.94 H new ATOM 0 HG23 THR B 5 7.343 -5.498 -3.471 1.00 0.94 H new ATOM 56 N ARG B 6 4.951 -8.838 -1.927 1.00 0.48 N ATOM 57 CA ARG B 6 3.967 -9.680 -2.650 1.00 0.46 C ATOM 58 C ARG B 6 2.571 -9.292 -2.216 1.00 0.43 C ATOM 59 O ARG B 6 1.680 -9.120 -3.024 1.00 0.45 O ATOM 60 CB ARG B 6 4.230 -11.110 -2.198 1.00 0.56 C ATOM 61 CG ARG B 6 4.833 -11.919 -3.352 1.00 0.78 C ATOM 62 CD ARG B 6 4.081 -13.244 -3.504 1.00 1.03 C ATOM 63 NE ARG B 6 4.443 -14.032 -2.290 1.00 0.88 N ATOM 64 CZ ARG B 6 4.291 -15.334 -2.266 1.00 0.73 C ATOM 65 NH1 ARG B 6 3.819 -15.975 -3.305 1.00 1.26 N ATOM 66 NH2 ARG B 6 4.616 -15.999 -1.192 1.00 1.43 N ATOM 0 H ARG B 6 5.464 -9.315 -1.186 1.00 0.48 H new ATOM 0 HA ARG B 6 4.055 -9.564 -3.730 1.00 0.46 H new ATOM 0 HB2 ARG B 6 4.910 -11.112 -1.346 1.00 0.56 H new ATOM 0 HB3 ARG B 6 3.301 -11.572 -1.865 1.00 0.56 H new ATOM 0 HG2 ARG B 6 4.774 -11.348 -4.279 1.00 0.78 H new ATOM 0 HG3 ARG B 6 5.889 -12.109 -3.162 1.00 0.78 H new ATOM 0 HD2 ARG B 6 3.005 -13.083 -3.564 1.00 1.03 H new ATOM 0 HD3 ARG B 6 4.377 -13.764 -4.415 1.00 1.03 H new ATOM 0 HE ARG B 6 4.813 -13.552 -1.469 1.00 0.88 H new ATOM 0 HH11 ARG B 6 3.564 -15.461 -4.148 1.00 1.26 H new ATOM 0 HH12 ARG B 6 3.706 -16.988 -3.271 1.00 1.26 H new ATOM 0 HH21 ARG B 6 4.985 -15.506 -0.379 1.00 1.43 H new ATOM 0 HH22 ARG B 6 4.501 -17.012 -1.165 1.00 1.43 H new ATOM 80 N ARG B 7 2.367 -9.161 -0.931 1.00 0.61 N ATOM 81 CA ARG B 7 1.014 -8.797 -0.458 1.00 0.80 C ATOM 82 C ARG B 7 0.636 -7.441 -1.048 1.00 0.65 C ATOM 83 O ARG B 7 -0.511 -7.169 -1.335 1.00 0.56 O ATOM 84 CB ARG B 7 1.107 -8.725 1.067 1.00 1.16 C ATOM 85 CG ARG B 7 -0.186 -8.113 1.627 1.00 1.10 C ATOM 86 CD ARG B 7 0.009 -7.743 3.095 1.00 0.92 C ATOM 87 NE ARG B 7 -0.902 -6.587 3.330 1.00 0.41 N ATOM 88 CZ ARG B 7 -2.194 -6.765 3.413 1.00 0.93 C ATOM 89 NH1 ARG B 7 -2.714 -7.958 3.291 1.00 1.61 N ATOM 90 NH2 ARG B 7 -2.969 -5.737 3.618 1.00 1.08 N ATOM 0 H ARG B 7 3.071 -9.289 -0.204 1.00 0.61 H new ATOM 0 HA ARG B 7 0.254 -9.517 -0.761 1.00 0.80 H new ATOM 0 HB2 ARG B 7 1.260 -9.722 1.481 1.00 1.16 H new ATOM 0 HB3 ARG B 7 1.966 -8.122 1.362 1.00 1.16 H new ATOM 0 HG2 ARG B 7 -0.458 -7.228 1.053 1.00 1.10 H new ATOM 0 HG3 ARG B 7 -1.008 -8.822 1.528 1.00 1.10 H new ATOM 0 HD2 ARG B 7 -0.239 -8.579 3.748 1.00 0.92 H new ATOM 0 HD3 ARG B 7 1.046 -7.476 3.300 1.00 0.92 H new ATOM 0 HE ARG B 7 -0.514 -5.649 3.427 1.00 0.41 H new ATOM 0 HH11 ARG B 7 -2.110 -8.764 3.129 1.00 1.61 H new ATOM 0 HH12 ARG B 7 -3.724 -8.083 3.358 1.00 1.61 H new ATOM 0 HH21 ARG B 7 -2.566 -4.805 3.712 1.00 1.08 H new ATOM 0 HH22 ARG B 7 -3.979 -5.865 3.684 1.00 1.08 H new ATOM 104 N ARG B 8 1.612 -6.595 -1.241 1.00 0.68 N ATOM 105 CA ARG B 8 1.341 -5.253 -1.829 1.00 0.67 C ATOM 106 C ARG B 8 0.603 -5.432 -3.139 1.00 0.48 C ATOM 107 O ARG B 8 -0.330 -4.713 -3.443 1.00 0.50 O ATOM 108 CB ARG B 8 2.726 -4.646 -2.067 1.00 0.77 C ATOM 109 CG ARG B 8 2.746 -3.167 -1.668 1.00 0.73 C ATOM 110 CD ARG B 8 2.188 -2.959 -0.247 1.00 0.73 C ATOM 111 NE ARG B 8 2.525 -4.195 0.527 1.00 0.85 N ATOM 112 CZ ARG B 8 1.851 -4.514 1.603 1.00 1.05 C ATOM 113 NH1 ARG B 8 0.869 -3.767 2.031 1.00 1.43 N ATOM 114 NH2 ARG B 8 2.165 -5.593 2.257 1.00 1.16 N ATOM 0 H ARG B 8 2.590 -6.777 -1.015 1.00 0.68 H new ATOM 0 HA ARG B 8 0.729 -4.617 -1.189 1.00 0.67 H new ATOM 0 HB2 ARG B 8 3.472 -5.193 -1.491 1.00 0.77 H new ATOM 0 HB3 ARG B 8 2.997 -4.748 -3.118 1.00 0.77 H new ATOM 0 HG2 ARG B 8 3.767 -2.789 -1.718 1.00 0.73 H new ATOM 0 HG3 ARG B 8 2.157 -2.589 -2.380 1.00 0.73 H new ATOM 0 HD2 ARG B 8 2.630 -2.078 0.218 1.00 0.73 H new ATOM 0 HD3 ARG B 8 1.110 -2.799 -0.273 1.00 0.73 H new ATOM 0 HE ARG B 8 3.288 -4.795 0.213 1.00 0.85 H new ATOM 0 HH11 ARG B 8 0.616 -2.919 1.525 1.00 1.43 H new ATOM 0 HH12 ARG B 8 0.355 -4.032 2.871 1.00 1.43 H new ATOM 0 HH21 ARG B 8 2.931 -6.183 1.931 1.00 1.16 H new ATOM 0 HH22 ARG B 8 1.646 -5.850 3.096 1.00 1.16 H new ATOM 128 N GLU B 9 0.980 -6.415 -3.899 1.00 0.38 N ATOM 129 CA GLU B 9 0.251 -6.664 -5.166 1.00 0.34 C ATOM 130 C GLU B 9 -1.193 -6.969 -4.799 1.00 0.31 C ATOM 131 O GLU B 9 -2.124 -6.575 -5.476 1.00 0.34 O ATOM 132 CB GLU B 9 0.933 -7.873 -5.812 1.00 0.40 C ATOM 133 CG GLU B 9 2.408 -7.553 -6.072 1.00 0.59 C ATOM 134 CD GLU B 9 2.625 -7.314 -7.569 1.00 1.24 C ATOM 135 OE1 GLU B 9 2.060 -8.057 -8.355 1.00 1.88 O ATOM 136 OE2 GLU B 9 3.351 -6.393 -7.904 1.00 1.73 O ATOM 0 H GLU B 9 1.753 -7.051 -3.701 1.00 0.38 H new ATOM 0 HA GLU B 9 0.264 -5.821 -5.857 1.00 0.34 H new ATOM 0 HB2 GLU B 9 0.849 -8.742 -5.160 1.00 0.40 H new ATOM 0 HB3 GLU B 9 0.435 -8.127 -6.748 1.00 0.40 H new ATOM 0 HG2 GLU B 9 2.704 -6.670 -5.506 1.00 0.59 H new ATOM 0 HG3 GLU B 9 3.035 -8.376 -5.730 1.00 0.59 H new ATOM 143 N ARG B 10 -1.377 -7.621 -3.684 1.00 0.31 N ATOM 144 CA ARG B 10 -2.749 -7.904 -3.204 1.00 0.38 C ATOM 145 C ARG B 10 -3.342 -6.602 -2.672 1.00 0.35 C ATOM 146 O ARG B 10 -4.539 -6.474 -2.504 1.00 0.40 O ATOM 147 CB ARG B 10 -2.587 -8.935 -2.083 1.00 0.46 C ATOM 148 CG ARG B 10 -3.292 -10.239 -2.470 1.00 0.73 C ATOM 149 CD ARG B 10 -2.315 -11.411 -2.335 1.00 0.67 C ATOM 150 NE ARG B 10 -2.814 -12.442 -3.292 1.00 1.55 N ATOM 151 CZ ARG B 10 -2.042 -13.431 -3.674 1.00 2.12 C ATOM 152 NH1 ARG B 10 -0.817 -13.536 -3.224 1.00 3.14 N ATOM 153 NH2 ARG B 10 -2.500 -14.321 -4.511 1.00 2.20 N ATOM 0 H ARG B 10 -0.629 -7.970 -3.085 1.00 0.31 H new ATOM 0 HA ARG B 10 -3.411 -8.285 -3.982 1.00 0.38 H new ATOM 0 HB2 ARG B 10 -1.529 -9.123 -1.900 1.00 0.46 H new ATOM 0 HB3 ARG B 10 -3.006 -8.546 -1.155 1.00 0.46 H new ATOM 0 HG2 ARG B 10 -4.159 -10.400 -1.829 1.00 0.73 H new ATOM 0 HG3 ARG B 10 -3.660 -10.175 -3.494 1.00 0.73 H new ATOM 0 HD2 ARG B 10 -1.297 -11.106 -2.578 1.00 0.67 H new ATOM 0 HD3 ARG B 10 -2.298 -11.795 -1.315 1.00 0.67 H new ATOM 0 HE ARG B 10 -3.766 -12.377 -3.653 1.00 1.55 H new ATOM 0 HH11 ARG B 10 -0.453 -12.844 -2.569 1.00 3.14 H new ATOM 0 HH12 ARG B 10 -0.226 -14.310 -3.529 1.00 3.14 H new ATOM 0 HH21 ARG B 10 -3.454 -14.245 -4.865 1.00 2.20 H new ATOM 0 HH22 ARG B 10 -1.904 -15.092 -4.812 1.00 2.20 H new ATOM 167 N ARG B 11 -2.505 -5.619 -2.429 1.00 0.29 N ATOM 168 CA ARG B 11 -3.019 -4.318 -1.941 1.00 0.29 C ATOM 169 C ARG B 11 -3.200 -3.368 -3.117 1.00 0.24 C ATOM 170 O ARG B 11 -3.537 -2.219 -2.936 1.00 0.25 O ATOM 171 CB ARG B 11 -1.955 -3.786 -0.983 1.00 0.32 C ATOM 172 CG ARG B 11 -1.840 -4.708 0.242 1.00 0.41 C ATOM 173 CD ARG B 11 -3.202 -4.806 0.938 1.00 0.55 C ATOM 174 NE ARG B 11 -3.478 -6.270 1.020 1.00 1.59 N ATOM 175 CZ ARG B 11 -4.680 -6.713 1.302 1.00 2.18 C ATOM 176 NH1 ARG B 11 -5.666 -5.881 1.517 1.00 1.76 N ATOM 177 NH2 ARG B 11 -4.895 -7.999 1.367 1.00 3.24 N ATOM 0 H ARG B 11 -1.493 -5.670 -2.550 1.00 0.29 H new ATOM 0 HA ARG B 11 -3.985 -4.416 -1.445 1.00 0.29 H new ATOM 0 HB2 ARG B 11 -0.994 -3.724 -1.493 1.00 0.32 H new ATOM 0 HB3 ARG B 11 -2.213 -2.776 -0.665 1.00 0.32 H new ATOM 0 HG2 ARG B 11 -1.505 -5.699 -0.065 1.00 0.41 H new ATOM 0 HG3 ARG B 11 -1.093 -4.319 0.934 1.00 0.41 H new ATOM 0 HD2 ARG B 11 -3.175 -4.352 1.928 1.00 0.55 H new ATOM 0 HD3 ARG B 11 -3.975 -4.288 0.371 1.00 0.55 H new ATOM 0 HE ARG B 11 -2.722 -6.935 0.855 1.00 1.59 H new ATOM 0 HH11 ARG B 11 -5.505 -4.875 1.466 1.00 1.76 H new ATOM 0 HH12 ARG B 11 -6.596 -6.238 1.735 1.00 1.76 H new ATOM 0 HH21 ARG B 11 -4.131 -8.653 1.199 1.00 3.24 H new ATOM 0 HH22 ARG B 11 -5.827 -8.350 1.586 1.00 3.24 H new ATOM 191 N ALA B 12 -3.008 -3.837 -4.326 1.00 0.24 N ATOM 192 CA ALA B 12 -3.213 -2.937 -5.498 1.00 0.28 C ATOM 193 C ALA B 12 -4.626 -2.366 -5.412 1.00 0.31 C ATOM 194 O ALA B 12 -4.902 -1.284 -5.885 1.00 0.33 O ATOM 195 CB ALA B 12 -3.057 -3.827 -6.731 1.00 0.34 C ATOM 0 H ALA B 12 -2.722 -4.791 -4.548 1.00 0.24 H new ATOM 0 HA ALA B 12 -2.510 -2.105 -5.534 1.00 0.28 H new ATOM 0 HB1 ALA B 12 -3.196 -3.229 -7.631 1.00 0.34 H new ATOM 0 HB2 ALA B 12 -2.060 -4.268 -6.738 1.00 0.34 H new ATOM 0 HB3 ALA B 12 -3.804 -4.620 -6.704 1.00 0.34 H new ATOM 201 N GLU B 13 -5.511 -3.082 -4.768 1.00 0.34 N ATOM 202 CA GLU B 13 -6.894 -2.573 -4.599 1.00 0.41 C ATOM 203 C GLU B 13 -6.872 -1.496 -3.520 1.00 0.38 C ATOM 204 O GLU B 13 -7.585 -0.515 -3.589 1.00 0.42 O ATOM 205 CB GLU B 13 -7.725 -3.779 -4.157 1.00 0.48 C ATOM 206 CG GLU B 13 -7.695 -4.850 -5.247 1.00 0.52 C ATOM 207 CD GLU B 13 -7.683 -6.237 -4.601 1.00 0.77 C ATOM 208 OE1 GLU B 13 -6.860 -6.454 -3.727 1.00 1.15 O ATOM 209 OE2 GLU B 13 -8.498 -7.057 -4.991 1.00 1.18 O ATOM 0 H GLU B 13 -5.331 -3.996 -4.354 1.00 0.34 H new ATOM 0 HA GLU B 13 -7.309 -2.136 -5.507 1.00 0.41 H new ATOM 0 HB2 GLU B 13 -7.330 -4.183 -3.225 1.00 0.48 H new ATOM 0 HB3 GLU B 13 -8.753 -3.473 -3.962 1.00 0.48 H new ATOM 0 HG2 GLU B 13 -8.564 -4.747 -5.896 1.00 0.52 H new ATOM 0 HG3 GLU B 13 -6.812 -4.721 -5.873 1.00 0.52 H new ATOM 216 N LYS B 14 -6.016 -1.653 -2.539 1.00 0.33 N ATOM 217 CA LYS B 14 -5.906 -0.616 -1.482 1.00 0.33 C ATOM 218 C LYS B 14 -5.091 0.538 -2.056 1.00 0.28 C ATOM 219 O LYS B 14 -5.359 1.700 -1.827 1.00 0.30 O ATOM 220 CB LYS B 14 -5.158 -1.295 -0.331 1.00 0.31 C ATOM 221 CG LYS B 14 -5.984 -2.465 0.206 1.00 0.38 C ATOM 222 CD LYS B 14 -7.205 -1.930 0.958 1.00 1.23 C ATOM 223 CE LYS B 14 -8.094 -3.100 1.391 1.00 1.37 C ATOM 224 NZ LYS B 14 -9.466 -2.727 0.945 1.00 1.83 N ATOM 0 H LYS B 14 -5.394 -2.454 -2.430 1.00 0.33 H new ATOM 0 HA LYS B 14 -6.865 -0.227 -1.142 1.00 0.33 H new ATOM 0 HB2 LYS B 14 -4.187 -1.651 -0.676 1.00 0.31 H new ATOM 0 HB3 LYS B 14 -4.968 -0.576 0.466 1.00 0.31 H new ATOM 0 HG2 LYS B 14 -6.303 -3.106 -0.616 1.00 0.38 H new ATOM 0 HG3 LYS B 14 -5.375 -3.078 0.870 1.00 0.38 H new ATOM 0 HD2 LYS B 14 -6.886 -1.360 1.831 1.00 1.23 H new ATOM 0 HD3 LYS B 14 -7.768 -1.249 0.320 1.00 1.23 H new ATOM 0 HE2 LYS B 14 -7.770 -4.033 0.931 1.00 1.37 H new ATOM 0 HE3 LYS B 14 -8.056 -3.246 2.470 1.00 1.37 H new ATOM 0 HZ1 LYS B 14 -10.133 -3.481 1.206 1.00 1.83 H new ATOM 0 HZ2 LYS B 14 -9.751 -1.838 1.404 1.00 1.83 H new ATOM 0 HZ3 LYS B 14 -9.473 -2.601 -0.087 1.00 1.83 H new ATOM 238 N GLN B 15 -4.103 0.191 -2.828 1.00 0.25 N ATOM 239 CA GLN B 15 -3.234 1.197 -3.483 1.00 0.24 C ATOM 240 C GLN B 15 -4.013 1.923 -4.573 1.00 0.28 C ATOM 241 O GLN B 15 -4.031 3.129 -4.634 1.00 0.28 O ATOM 242 CB GLN B 15 -2.108 0.361 -4.102 1.00 0.24 C ATOM 243 CG GLN B 15 -0.827 0.551 -3.299 1.00 0.25 C ATOM 244 CD GLN B 15 0.007 -0.727 -3.379 1.00 0.30 C ATOM 245 OE1 GLN B 15 1.042 -0.757 -4.014 1.00 0.35 O ATOM 246 NE2 GLN B 15 -0.410 -1.793 -2.754 1.00 0.33 N ATOM 0 H GLN B 15 -3.857 -0.777 -3.036 1.00 0.25 H new ATOM 0 HA GLN B 15 -2.865 1.957 -2.795 1.00 0.24 H new ATOM 0 HB2 GLN B 15 -2.388 -0.692 -4.114 1.00 0.24 H new ATOM 0 HB3 GLN B 15 -1.947 0.660 -5.138 1.00 0.24 H new ATOM 0 HG2 GLN B 15 -0.260 1.395 -3.690 1.00 0.25 H new ATOM 0 HG3 GLN B 15 -1.065 0.781 -2.260 1.00 0.25 H new ATOM 0 HE21 GLN B 15 -1.280 -1.765 -2.222 1.00 0.33 H new ATOM 0 HE22 GLN B 15 0.133 -2.655 -2.798 1.00 0.33 H new ATOM 255 N ALA B 16 -4.658 1.192 -5.432 1.00 0.35 N ATOM 256 CA ALA B 16 -5.439 1.845 -6.520 1.00 0.41 C ATOM 257 C ALA B 16 -6.583 2.652 -5.915 1.00 0.40 C ATOM 258 O ALA B 16 -7.020 3.638 -6.476 1.00 0.43 O ATOM 259 CB ALA B 16 -5.976 0.702 -7.383 1.00 0.48 C ATOM 0 H ALA B 16 -4.680 0.172 -5.431 1.00 0.35 H new ATOM 0 HA ALA B 16 -4.834 2.533 -7.110 1.00 0.41 H new ATOM 0 HB1 ALA B 16 -6.562 1.112 -8.206 1.00 0.48 H new ATOM 0 HB2 ALA B 16 -5.142 0.126 -7.784 1.00 0.48 H new ATOM 0 HB3 ALA B 16 -6.607 0.053 -6.776 1.00 0.48 H new ATOM 265 N GLN B 17 -7.054 2.264 -4.758 1.00 0.40 N ATOM 266 CA GLN B 17 -8.146 3.043 -4.118 1.00 0.42 C ATOM 267 C GLN B 17 -7.527 4.267 -3.461 1.00 0.37 C ATOM 268 O GLN B 17 -8.081 5.348 -3.468 1.00 0.40 O ATOM 269 CB GLN B 17 -8.755 2.104 -3.076 1.00 0.45 C ATOM 270 CG GLN B 17 -9.796 1.205 -3.745 1.00 0.53 C ATOM 271 CD GLN B 17 -11.032 2.029 -4.113 1.00 0.66 C ATOM 272 OE1 GLN B 17 -11.151 3.176 -3.729 1.00 1.06 O ATOM 273 NE2 GLN B 17 -11.966 1.488 -4.847 1.00 1.33 N ATOM 0 H GLN B 17 -6.731 1.449 -4.236 1.00 0.40 H new ATOM 0 HA GLN B 17 -8.908 3.385 -4.818 1.00 0.42 H new ATOM 0 HB2 GLN B 17 -7.974 1.496 -2.618 1.00 0.45 H new ATOM 0 HB3 GLN B 17 -9.218 2.682 -2.277 1.00 0.45 H new ATOM 0 HG2 GLN B 17 -9.374 0.747 -4.639 1.00 0.53 H new ATOM 0 HG3 GLN B 17 -10.075 0.394 -3.073 1.00 0.53 H new ATOM 0 HE21 GLN B 17 -11.867 0.526 -5.170 1.00 1.33 H new ATOM 0 HE22 GLN B 17 -12.794 2.028 -5.098 1.00 1.33 H new ATOM 282 N TRP B 18 -6.353 4.099 -2.929 1.00 0.32 N ATOM 283 CA TRP B 18 -5.641 5.238 -2.302 1.00 0.30 C ATOM 284 C TRP B 18 -5.049 6.108 -3.405 1.00 0.31 C ATOM 285 O TRP B 18 -5.178 7.315 -3.412 1.00 0.35 O ATOM 286 CB TRP B 18 -4.513 4.598 -1.495 1.00 0.25 C ATOM 287 CG TRP B 18 -3.611 5.673 -0.987 1.00 0.24 C ATOM 288 CD1 TRP B 18 -3.652 6.243 0.236 1.00 0.30 C ATOM 289 CD2 TRP B 18 -2.532 6.316 -1.696 1.00 0.24 C ATOM 290 NE1 TRP B 18 -2.664 7.216 0.303 1.00 0.31 N ATOM 291 CE2 TRP B 18 -1.944 7.286 -0.864 1.00 0.29 C ATOM 292 CE3 TRP B 18 -2.016 6.141 -2.975 1.00 0.28 C ATOM 293 CZ2 TRP B 18 -0.871 8.061 -1.300 1.00 0.34 C ATOM 294 CZ3 TRP B 18 -0.947 6.906 -3.415 1.00 0.36 C ATOM 295 CH2 TRP B 18 -0.374 7.862 -2.589 1.00 0.38 C ATOM 0 H TRP B 18 -5.852 3.211 -2.902 1.00 0.32 H new ATOM 0 HA TRP B 18 -6.290 5.857 -1.682 1.00 0.30 H new ATOM 0 HB2 TRP B 18 -4.923 4.026 -0.663 1.00 0.25 H new ATOM 0 HB3 TRP B 18 -3.954 3.900 -2.117 1.00 0.25 H new ATOM 0 HD1 TRP B 18 -4.338 5.985 1.029 1.00 0.30 H new ATOM 0 HE1 TRP B 18 -2.494 7.806 1.118 1.00 0.31 H new ATOM 0 HE3 TRP B 18 -2.452 5.403 -3.632 1.00 0.28 H new ATOM 0 HZ2 TRP B 18 -0.431 8.804 -0.651 1.00 0.34 H new ATOM 0 HZ3 TRP B 18 -0.556 6.756 -4.411 1.00 0.36 H new ATOM 0 HH2 TRP B 18 0.458 8.453 -2.944 1.00 0.38 H new ATOM 306 N LYS B 19 -4.400 5.476 -4.336 1.00 0.30 N ATOM 307 CA LYS B 19 -3.775 6.214 -5.465 1.00 0.37 C ATOM 308 C LYS B 19 -4.862 6.960 -6.209 1.00 0.46 C ATOM 309 O LYS B 19 -4.660 8.051 -6.707 1.00 0.70 O ATOM 310 CB LYS B 19 -3.154 5.145 -6.368 1.00 0.40 C ATOM 311 CG LYS B 19 -1.851 4.618 -5.761 1.00 0.49 C ATOM 312 CD LYS B 19 -0.972 4.031 -6.868 1.00 0.96 C ATOM 313 CE LYS B 19 -1.047 2.503 -6.832 1.00 1.30 C ATOM 314 NZ LYS B 19 -0.240 2.052 -7.999 1.00 1.92 N ATOM 0 H LYS B 19 -4.273 4.464 -4.364 1.00 0.30 H new ATOM 0 HA LYS B 19 -3.025 6.933 -5.135 1.00 0.37 H new ATOM 0 HB2 LYS B 19 -3.857 4.323 -6.504 1.00 0.40 H new ATOM 0 HB3 LYS B 19 -2.958 5.564 -7.355 1.00 0.40 H new ATOM 0 HG2 LYS B 19 -1.323 5.424 -5.252 1.00 0.49 H new ATOM 0 HG3 LYS B 19 -2.068 3.856 -5.012 1.00 0.49 H new ATOM 0 HD2 LYS B 19 -1.302 4.398 -7.840 1.00 0.96 H new ATOM 0 HD3 LYS B 19 0.060 4.357 -6.737 1.00 0.96 H new ATOM 0 HE2 LYS B 19 -0.645 2.110 -5.898 1.00 1.30 H new ATOM 0 HE3 LYS B 19 -2.078 2.156 -6.907 1.00 1.30 H new ATOM 0 HZ1 LYS B 19 -0.243 1.013 -8.042 1.00 1.92 H new ATOM 0 HZ2 LYS B 19 -0.650 2.436 -8.874 1.00 1.92 H new ATOM 0 HZ3 LYS B 19 0.738 2.391 -7.897 1.00 1.92 H new ATOM 328 N ALA B 20 -6.026 6.379 -6.276 1.00 0.44 N ATOM 329 CA ALA B 20 -7.137 7.057 -6.976 1.00 0.52 C ATOM 330 C ALA B 20 -7.422 8.396 -6.300 1.00 0.56 C ATOM 331 O ALA B 20 -7.862 9.341 -6.924 1.00 0.74 O ATOM 332 CB ALA B 20 -8.335 6.125 -6.839 1.00 0.55 C ATOM 0 H ALA B 20 -6.250 5.468 -5.876 1.00 0.44 H new ATOM 0 HA ALA B 20 -6.907 7.258 -8.022 1.00 0.52 H new ATOM 0 HB1 ALA B 20 -9.198 6.566 -7.337 1.00 0.55 H new ATOM 0 HB2 ALA B 20 -8.103 5.164 -7.299 1.00 0.55 H new ATOM 0 HB3 ALA B 20 -8.562 5.977 -5.783 1.00 0.55 H new ATOM 338 N ALA B 21 -7.166 8.479 -5.021 1.00 0.54 N ATOM 339 CA ALA B 21 -7.411 9.753 -4.293 1.00 0.66 C ATOM 340 C ALA B 21 -6.121 10.253 -3.653 1.00 0.73 C ATOM 341 O ALA B 21 -6.133 10.984 -2.682 1.00 0.99 O ATOM 342 CB ALA B 21 -8.456 9.414 -3.231 1.00 0.71 C ATOM 0 H ALA B 21 -6.798 7.718 -4.451 1.00 0.54 H new ATOM 0 HA ALA B 21 -7.757 10.547 -4.955 1.00 0.66 H new ATOM 0 HB1 ALA B 21 -8.689 10.307 -2.651 1.00 0.71 H new ATOM 0 HB2 ALA B 21 -9.362 9.049 -3.715 1.00 0.71 H new ATOM 0 HB3 ALA B 21 -8.064 8.643 -2.568 1.00 0.71 H new ATOM 348 N ASN B 22 -5.015 9.879 -4.218 1.00 0.73 N ATOM 349 CA ASN B 22 -3.695 10.338 -3.685 1.00 0.88 C ATOM 350 C ASN B 22 -2.626 10.317 -4.784 1.00 1.08 C ATOM 351 O ASN B 22 -1.544 9.800 -4.583 1.00 0.00 O ATOM 352 CB ASN B 22 -3.316 9.364 -2.576 1.00 0.93 C ATOM 353 CG ASN B 22 -4.324 9.455 -1.434 1.00 0.94 C ATOM 354 OD1 ASN B 22 -4.525 10.506 -0.860 1.00 1.13 O ATOM 355 ND2 ASN B 22 -4.966 8.383 -1.082 1.00 0.94 N ATOM 0 H ASN B 22 -4.960 9.269 -5.034 1.00 0.73 H new ATOM 0 HA ASN B 22 -3.763 11.362 -3.317 1.00 0.88 H new ATOM 0 HB2 ASN B 22 -3.289 8.347 -2.968 1.00 0.93 H new ATOM 0 HB3 ASN B 22 -2.315 9.591 -2.208 1.00 0.93 H new ATOM 0 HD21 ASN B 22 -5.643 8.421 -0.320 1.00 0.94 H new ATOM 0 HD22 ASN B 22 -4.793 7.503 -1.567 1.00 0.94 H new ATOM 362 N PRO B 23 -2.948 10.911 -5.901 1.00 0.00 N ATOM 363 CA PRO B 23 -1.985 10.992 -7.013 1.00 0.00 C ATOM 364 C PRO B 23 -0.925 12.012 -6.614 1.00 0.00 C ATOM 365 O PRO B 23 0.208 11.962 -7.048 1.00 0.00 O ATOM 366 CB PRO B 23 -2.823 11.477 -8.192 1.00 0.00 C ATOM 367 CG PRO B 23 -3.980 12.190 -7.572 1.00 0.00 C ATOM 368 CD PRO B 23 -4.209 11.565 -6.219 1.00 0.00 C ATOM 0 HA PRO B 23 -1.477 10.059 -7.257 1.00 0.00 H new ATOM 0 HB2 PRO B 23 -2.249 12.142 -8.838 1.00 0.00 H new ATOM 0 HB3 PRO B 23 -3.157 10.643 -8.809 1.00 0.00 H new ATOM 0 HG2 PRO B 23 -3.769 13.255 -7.474 1.00 0.00 H new ATOM 0 HG3 PRO B 23 -4.869 12.097 -8.195 1.00 0.00 H new ATOM 0 HD2 PRO B 23 -4.465 12.317 -5.473 1.00 0.00 H new ATOM 0 HD3 PRO B 23 -5.031 10.850 -6.246 1.00 0.00 H new ATOM 376 N LEU B 24 -1.298 12.927 -5.754 1.00 0.00 N ATOM 377 CA LEU B 24 -0.332 13.952 -5.270 1.00 0.00 C ATOM 378 C LEU B 24 0.860 13.245 -4.626 1.00 0.00 C ATOM 379 O LEU B 24 1.995 13.658 -4.753 1.00 0.00 O ATOM 380 CB LEU B 24 -1.126 14.791 -4.244 1.00 0.00 C ATOM 381 CG LEU B 24 -1.004 14.210 -2.816 1.00 0.00 C ATOM 382 CD1 LEU B 24 -1.467 15.262 -1.808 1.00 0.00 C ATOM 383 CD2 LEU B 24 -1.879 12.951 -2.666 1.00 0.00 C ATOM 0 H LEU B 24 -2.238 13.006 -5.366 1.00 0.00 H new ATOM 0 HA LEU B 24 0.067 14.585 -6.062 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -0.760 15.818 -4.252 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -2.176 14.824 -4.535 1.00 0.00 H new ATOM 0 HG LEU B 24 0.036 13.940 -2.633 1.00 0.00 H new ATOM 0 HD11 LEU B 24 -1.384 14.860 -0.798 1.00 0.00 H new ATOM 0 HD12 LEU B 24 -0.842 16.151 -1.897 1.00 0.00 H new ATOM 0 HD13 LEU B 24 -2.505 15.526 -2.009 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -1.779 12.557 -1.655 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -2.921 13.208 -2.854 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -1.556 12.196 -3.383 1.00 0.00 H new ATOM 395 N LEU B 25 0.593 12.149 -3.975 1.00 0.00 N ATOM 396 CA LEU B 25 1.675 11.346 -3.354 1.00 0.00 C ATOM 397 C LEU B 25 2.003 10.234 -4.334 1.00 0.00 C ATOM 398 O LEU B 25 2.281 9.106 -3.977 1.00 0.00 O ATOM 399 CB LEU B 25 1.061 10.785 -2.072 1.00 0.00 C ATOM 400 CG LEU B 25 1.450 11.667 -0.884 1.00 0.00 C ATOM 401 CD1 LEU B 25 0.257 11.810 0.062 1.00 0.00 C ATOM 402 CD2 LEU B 25 2.619 11.023 -0.133 1.00 0.00 C ATOM 0 H LEU B 25 -0.346 11.772 -3.846 1.00 0.00 H new ATOM 0 HA LEU B 25 2.586 11.902 -3.130 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -0.024 10.743 -2.166 1.00 0.00 H new ATOM 0 HB3 LEU B 25 1.407 9.764 -1.908 1.00 0.00 H new ATOM 0 HG LEU B 25 1.745 12.652 -1.246 1.00 0.00 H new ATOM 0 HD11 LEU B 25 0.536 12.439 0.907 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -0.577 12.268 -0.470 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -0.040 10.826 0.424 1.00 0.00 H new ATOM 0 HD21 LEU B 25 2.897 11.650 0.714 1.00 0.00 H new ATOM 0 HD22 LEU B 25 2.322 10.038 0.227 1.00 0.00 H new ATOM 0 HD23 LEU B 25 3.471 10.921 -0.805 1.00 0.00 H new ATOM 414 N VAL B 26 1.912 10.570 -5.580 1.00 0.00 N ATOM 415 CA VAL B 26 2.140 9.598 -6.665 1.00 0.00 C ATOM 416 C VAL B 26 2.621 10.351 -7.906 1.00 0.00 C ATOM 417 O VAL B 26 2.314 11.513 -8.086 1.00 0.00 O ATOM 418 CB VAL B 26 0.740 8.991 -6.868 1.00 0.00 C ATOM 419 CG1 VAL B 26 0.434 8.826 -8.358 1.00 0.00 C ATOM 420 CG2 VAL B 26 0.678 7.630 -6.175 1.00 0.00 C ATOM 0 H VAL B 26 1.681 11.511 -5.900 1.00 0.00 H new ATOM 0 HA VAL B 26 2.893 8.838 -6.457 1.00 0.00 H new ATOM 0 HB VAL B 26 -0.003 9.662 -6.436 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -0.560 8.396 -8.480 1.00 0.00 H new ATOM 0 HG12 VAL B 26 0.470 9.800 -8.847 1.00 0.00 H new ATOM 0 HG13 VAL B 26 1.173 8.165 -8.810 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -0.312 7.195 -6.315 1.00 0.00 H new ATOM 0 HG22 VAL B 26 1.430 6.968 -6.605 1.00 0.00 H new ATOM 0 HG23 VAL B 26 0.872 7.755 -5.110 1.00 0.00 H new ATOM 430 N GLY B 27 3.362 9.712 -8.767 1.00 0.00 N ATOM 431 CA GLY B 27 3.832 10.419 -9.990 1.00 0.00 C ATOM 432 C GLY B 27 2.610 10.976 -10.721 1.00 0.00 C ATOM 433 O GLY B 27 1.841 10.237 -11.299 1.00 0.00 O ATOM 0 H GLY B 27 3.660 8.741 -8.679 1.00 0.00 H new ATOM 0 HA2 GLY B 27 4.515 11.225 -9.724 1.00 0.00 H new ATOM 0 HA3 GLY B 27 4.382 9.735 -10.636 1.00 0.00 H new ATOM 437 N VAL B 28 2.407 12.268 -10.682 1.00 0.00 N ATOM 438 CA VAL B 28 1.212 12.851 -11.367 1.00 0.00 C ATOM 439 C VAL B 28 1.102 12.293 -12.789 1.00 0.00 C ATOM 440 O VAL B 28 2.093 12.084 -13.461 1.00 0.00 O ATOM 441 CB VAL B 28 1.450 14.362 -11.396 1.00 0.00 C ATOM 442 CG1 VAL B 28 2.737 14.669 -12.166 1.00 0.00 C ATOM 443 CG2 VAL B 28 0.266 15.048 -12.086 1.00 0.00 C ATOM 0 H VAL B 28 3.011 12.941 -10.210 1.00 0.00 H new ATOM 0 HA VAL B 28 0.283 12.605 -10.852 1.00 0.00 H new ATOM 0 HB VAL B 28 1.546 14.733 -10.375 1.00 0.00 H new ATOM 0 HG11 VAL B 28 2.902 15.746 -12.184 1.00 0.00 H new ATOM 0 HG12 VAL B 28 3.579 14.181 -11.676 1.00 0.00 H new ATOM 0 HG13 VAL B 28 2.647 14.299 -13.187 1.00 0.00 H new ATOM 0 HG21 VAL B 28 0.432 16.125 -12.108 1.00 0.00 H new ATOM 0 HG22 VAL B 28 0.172 14.674 -13.106 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -0.650 14.834 -11.535 1.00 0.00 H new ATOM 453 N SER B 29 -0.093 12.041 -13.245 1.00 0.00 N ATOM 454 CA SER B 29 -0.275 11.484 -14.616 1.00 0.00 C ATOM 455 C SER B 29 0.510 10.176 -14.760 1.00 0.00 C ATOM 456 O SER B 29 1.191 9.949 -15.740 1.00 0.00 O ATOM 457 CB SER B 29 0.268 12.551 -15.569 1.00 0.00 C ATOM 458 OG SER B 29 -0.243 13.821 -15.189 1.00 0.00 O ATOM 0 H SER B 29 -0.956 12.197 -12.725 1.00 0.00 H new ATOM 0 HA SER B 29 -1.319 11.255 -14.830 1.00 0.00 H new ATOM 0 HB2 SER B 29 1.358 12.561 -15.540 1.00 0.00 H new ATOM 0 HB3 SER B 29 -0.022 12.321 -16.594 1.00 0.00 H new ATOM 0 HG SER B 29 0.104 14.508 -15.796 1.00 0.00 H new ATOM 464 N ALA B 30 0.406 9.315 -13.784 1.00 0.00 N ATOM 465 CA ALA B 30 1.131 8.010 -13.844 1.00 0.00 C ATOM 466 C ALA B 30 0.170 6.873 -13.495 1.00 0.00 C ATOM 467 O ALA B 30 0.417 6.088 -12.600 1.00 0.00 O ATOM 468 CB ALA B 30 2.240 8.113 -12.794 1.00 0.00 C ATOM 0 H ALA B 30 -0.153 9.459 -12.943 1.00 0.00 H new ATOM 0 HA ALA B 30 1.535 7.805 -14.835 1.00 0.00 H new ATOM 0 HB1 ALA B 30 2.816 7.188 -12.781 1.00 0.00 H new ATOM 0 HB2 ALA B 30 2.898 8.946 -13.040 1.00 0.00 H new ATOM 0 HB3 ALA B 30 1.797 8.278 -11.812 1.00 0.00 H new ATOM 474 N LYS B 31 -0.931 6.786 -14.190 1.00 0.00 N ATOM 475 CA LYS B 31 -1.920 5.709 -13.897 1.00 0.00 C ATOM 476 C LYS B 31 -2.888 5.543 -15.076 1.00 0.00 C ATOM 477 O LYS B 31 -3.880 6.238 -15.161 1.00 0.00 O ATOM 478 CB LYS B 31 -2.669 6.183 -12.646 1.00 0.00 C ATOM 479 CG LYS B 31 -3.047 7.665 -12.785 1.00 0.00 C ATOM 480 CD LYS B 31 -4.513 7.859 -12.393 1.00 0.00 C ATOM 481 CE LYS B 31 -4.611 8.146 -10.894 1.00 0.00 C ATOM 482 NZ LYS B 31 -4.789 9.621 -10.796 1.00 0.00 N ATOM 0 H LYS B 31 -1.189 7.416 -14.950 1.00 0.00 H new ATOM 0 HA LYS B 31 -1.442 4.742 -13.741 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -3.567 5.583 -12.502 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -2.045 6.040 -11.764 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -2.406 8.276 -12.149 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -2.887 7.997 -13.811 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -4.945 8.683 -12.960 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -5.087 6.966 -12.641 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -5.451 7.616 -10.445 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -3.712 7.821 -10.370 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -4.932 9.888 -9.801 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -3.941 10.098 -11.164 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -5.618 9.908 -11.354 1.00 0.00 H new ATOM 496 N PRO B 32 -2.566 4.621 -15.951 1.00 0.00 N ATOM 497 CA PRO B 32 -3.425 4.367 -17.135 1.00 0.00 C ATOM 498 C PRO B 32 -4.715 3.656 -16.716 1.00 0.00 C ATOM 499 O PRO B 32 -4.886 3.280 -15.574 1.00 0.00 O ATOM 500 CB PRO B 32 -2.566 3.461 -18.014 1.00 0.00 C ATOM 501 CG PRO B 32 -1.621 2.789 -17.070 1.00 0.00 C ATOM 502 CD PRO B 32 -1.390 3.740 -15.924 1.00 0.00 C ATOM 0 HA PRO B 32 -3.733 5.280 -17.645 1.00 0.00 H new ATOM 0 HB2 PRO B 32 -3.177 2.732 -18.546 1.00 0.00 H new ATOM 0 HB3 PRO B 32 -2.028 4.037 -18.768 1.00 0.00 H new ATOM 0 HG2 PRO B 32 -2.038 1.848 -16.712 1.00 0.00 H new ATOM 0 HG3 PRO B 32 -0.682 2.552 -17.569 1.00 0.00 H new ATOM 0 HD2 PRO B 32 -1.310 3.210 -14.975 1.00 0.00 H new ATOM 0 HD3 PRO B 32 -0.466 4.304 -16.053 1.00 0.00 H new ATOM 510 N VAL B 33 -5.625 3.471 -17.636 1.00 0.00 N ATOM 511 CA VAL B 33 -6.907 2.786 -17.295 1.00 0.00 C ATOM 512 C VAL B 33 -7.360 1.900 -18.460 1.00 0.00 C ATOM 513 O VAL B 33 -7.142 2.215 -19.613 1.00 0.00 O ATOM 514 CB VAL B 33 -7.911 3.916 -17.056 1.00 0.00 C ATOM 515 CG1 VAL B 33 -7.442 4.774 -15.880 1.00 0.00 C ATOM 516 CG2 VAL B 33 -8.015 4.788 -18.310 1.00 0.00 C ATOM 0 H VAL B 33 -5.536 3.765 -18.609 1.00 0.00 H new ATOM 0 HA VAL B 33 -6.810 2.138 -16.424 1.00 0.00 H new ATOM 0 HB VAL B 33 -8.888 3.488 -16.831 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -8.157 5.579 -15.709 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -7.370 4.156 -14.985 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -6.464 5.199 -16.107 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -8.731 5.591 -18.136 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -7.038 5.215 -18.538 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -8.350 4.179 -19.150 1.00 0.00 H new ATOM 526 N ASN B 34 -7.992 0.795 -18.165 1.00 0.00 N ATOM 527 CA ASN B 34 -8.462 -0.112 -19.251 1.00 0.00 C ATOM 528 C ASN B 34 -9.974 -0.333 -19.138 1.00 0.00 C ATOM 529 O ASN B 34 -10.444 -1.451 -19.060 1.00 0.00 O ATOM 530 CB ASN B 34 -7.710 -1.425 -19.026 1.00 0.00 C ATOM 531 CG ASN B 34 -6.310 -1.323 -19.633 1.00 0.00 C ATOM 532 OD1 ASN B 34 -5.403 -0.805 -19.013 1.00 0.00 O ATOM 533 ND2 ASN B 34 -6.094 -1.800 -20.828 1.00 0.00 N ATOM 0 H ASN B 34 -8.203 0.482 -17.218 1.00 0.00 H new ATOM 0 HA ASN B 34 -8.274 0.300 -20.243 1.00 0.00 H new ATOM 0 HB2 ASN B 34 -7.641 -1.638 -17.959 1.00 0.00 H new ATOM 0 HB3 ASN B 34 -8.256 -2.251 -19.481 1.00 0.00 H new ATOM 0 HD21 ASN B 34 -5.164 -1.738 -21.241 1.00 0.00 H new ATOM 0 HD22 ASN B 34 -6.856 -2.235 -21.349 1.00 0.00 H new ATOM 540 N ARG B 35 -10.737 0.727 -19.128 1.00 0.00 N ATOM 541 CA ARG B 35 -12.218 0.582 -19.020 1.00 0.00 C ATOM 542 C ARG B 35 -12.919 1.680 -19.831 1.00 0.00 C ATOM 543 O ARG B 35 -13.595 2.523 -19.277 1.00 0.00 O ATOM 544 CB ARG B 35 -12.523 0.738 -17.528 1.00 0.00 C ATOM 545 CG ARG B 35 -12.381 -0.619 -16.829 1.00 0.00 C ATOM 546 CD ARG B 35 -11.202 -0.580 -15.851 1.00 0.00 C ATOM 547 NE ARG B 35 -10.244 -1.606 -16.356 1.00 0.00 N ATOM 548 CZ ARG B 35 -10.513 -2.885 -16.243 1.00 0.00 C ATOM 549 NH1 ARG B 35 -11.624 -3.288 -15.684 1.00 0.00 N ATOM 550 NH2 ARG B 35 -9.661 -3.766 -16.693 1.00 0.00 N ATOM 0 H ARG B 35 -10.399 1.687 -19.190 1.00 0.00 H new ATOM 0 HA ARG B 35 -12.569 -0.373 -19.410 1.00 0.00 H new ATOM 0 HB2 ARG B 35 -11.841 1.462 -17.081 1.00 0.00 H new ATOM 0 HB3 ARG B 35 -13.533 1.125 -17.392 1.00 0.00 H new ATOM 0 HG2 ARG B 35 -13.300 -0.861 -16.295 1.00 0.00 H new ATOM 0 HG3 ARG B 35 -12.226 -1.405 -17.569 1.00 0.00 H new ATOM 0 HD2 ARG B 35 -10.744 0.409 -15.825 1.00 0.00 H new ATOM 0 HD3 ARG B 35 -11.525 -0.808 -14.835 1.00 0.00 H new ATOM 0 HE ARG B 35 -9.371 -1.310 -16.793 1.00 0.00 H new ATOM 0 HH11 ARG B 35 -12.294 -2.605 -15.330 1.00 0.00 H new ATOM 0 HH12 ARG B 35 -11.821 -4.285 -15.602 1.00 0.00 H new ATOM 0 HH21 ARG B 35 -8.792 -3.458 -17.129 1.00 0.00 H new ATOM 0 HH22 ARG B 35 -9.864 -4.762 -16.608 1.00 0.00 H new ATOM 564 N PRO B 36 -12.733 1.632 -21.126 1.00 0.00 N ATOM 565 CA PRO B 36 -13.359 2.638 -22.019 1.00 0.00 C ATOM 566 C PRO B 36 -14.867 2.386 -22.131 1.00 0.00 C ATOM 567 O PRO B 36 -15.293 1.892 -23.162 1.00 0.00 O ATOM 568 CB PRO B 36 -12.664 2.411 -23.359 1.00 0.00 C ATOM 569 CG PRO B 36 -12.197 0.991 -23.318 1.00 0.00 C ATOM 570 CD PRO B 36 -11.935 0.651 -21.874 1.00 0.00 C ATOM 571 OXT PRO B 36 -15.569 2.693 -21.181 1.00 0.00 O ATOM 0 HA PRO B 36 -13.249 3.661 -21.659 1.00 0.00 H new ATOM 0 HB2 PRO B 36 -13.348 2.578 -24.191 1.00 0.00 H new ATOM 0 HB3 PRO B 36 -11.828 3.098 -23.491 1.00 0.00 H new ATOM 0 HG2 PRO B 36 -12.950 0.326 -23.740 1.00 0.00 H new ATOM 0 HG3 PRO B 36 -11.292 0.866 -23.913 1.00 0.00 H new ATOM 0 HD2 PRO B 36 -12.239 -0.370 -21.643 1.00 0.00 H new ATOM 0 HD3 PRO B 36 -10.875 0.731 -21.631 1.00 0.00 H new TER 579 PRO B 36 ATOM 580 P G A 1 13.588 -16.292 -0.933 1.00 1.31 P ATOM 581 OP1 G A 1 14.702 -15.838 -0.063 1.00 1.51 O ATOM 582 OP2 G A 1 13.659 -17.630 -1.575 1.00 1.52 O ATOM 583 O5' G A 1 12.238 -16.211 -0.093 1.00 1.09 O ATOM 584 C5' G A 1 12.253 -15.828 1.295 1.00 1.03 C ATOM 585 C4' G A 1 11.294 -16.690 2.084 1.00 0.94 C ATOM 586 O4' G A 1 11.662 -16.626 3.484 1.00 1.02 O ATOM 587 C3' G A 1 9.853 -16.211 2.073 1.00 0.80 C ATOM 588 O3' G A 1 9.180 -16.655 0.888 1.00 0.75 O ATOM 589 C2' G A 1 9.288 -16.824 3.355 1.00 0.78 C ATOM 590 O2' G A 1 8.848 -18.159 3.217 1.00 0.77 O ATOM 591 C1' G A 1 10.503 -16.784 4.282 1.00 0.90 C ATOM 592 N9 G A 1 10.413 -15.660 5.202 1.00 0.90 N ATOM 593 C8 G A 1 10.970 -14.413 5.063 1.00 0.97 C ATOM 594 N7 G A 1 10.669 -13.607 6.043 1.00 0.99 N ATOM 595 C5 G A 1 9.869 -14.373 6.881 1.00 0.90 C ATOM 596 C6 G A 1 9.242 -14.041 8.103 1.00 0.88 C ATOM 597 O6 G A 1 9.270 -12.969 8.709 1.00 0.94 O ATOM 598 N1 G A 1 8.522 -15.114 8.623 1.00 0.82 N ATOM 599 C2 G A 1 8.423 -16.351 8.031 1.00 0.81 C ATOM 600 N2 G A 1 7.685 -17.265 8.679 1.00 0.83 N ATOM 601 N3 G A 1 9.005 -16.672 6.890 1.00 0.83 N ATOM 602 C4 G A 1 9.706 -15.642 6.375 1.00 0.86 C ATOM 0 H5' G A 1 11.975 -14.779 1.393 1.00 1.03 H new ATOM 0 H5'' G A 1 13.261 -15.930 1.697 1.00 1.03 H new ATOM 0 H4' G A 1 11.358 -17.675 1.621 1.00 0.94 H new ATOM 0 H3' G A 1 9.737 -15.127 2.053 1.00 0.80 H new ATOM 0 H2' G A 1 8.404 -16.287 3.697 1.00 0.78 H new ATOM 0 HO2' G A 1 9.545 -18.689 2.777 1.00 0.77 H new ATOM 0 H1' G A 1 10.544 -17.707 4.861 1.00 0.90 H new ATOM 0 H8 G A 1 11.593 -14.129 4.228 1.00 0.97 H new ATOM 0 H1 G A 1 8.033 -14.972 9.507 1.00 0.82 H new ATOM 0 H21 G A 1 7.575 -18.201 8.289 1.00 0.83 H new ATOM 0 H22 G A 1 7.234 -17.024 9.562 1.00 0.83 H new ATOM 614 P C A 2 8.683 -18.179 0.757 1.00 0.69 P ATOM 615 OP1 C A 2 9.639 -19.059 1.476 1.00 0.84 O ATOM 616 OP2 C A 2 8.404 -18.424 -0.681 1.00 0.82 O ATOM 617 O5' C A 2 7.288 -18.181 1.526 1.00 0.58 O ATOM 618 C5' C A 2 6.498 -16.980 1.606 1.00 0.57 C ATOM 619 C4' C A 2 5.341 -17.169 2.559 1.00 0.55 C ATOM 620 O4' C A 2 5.821 -16.986 3.915 1.00 0.54 O ATOM 621 C3' C A 2 4.235 -16.139 2.401 1.00 0.51 C ATOM 622 O3' C A 2 3.291 -16.585 1.429 1.00 0.59 O ATOM 623 C2' C A 2 3.616 -16.082 3.793 1.00 0.53 C ATOM 624 O2' C A 2 2.614 -17.063 3.986 1.00 0.67 O ATOM 625 C1' C A 2 4.815 -16.371 4.700 1.00 0.51 C ATOM 626 N1 C A 2 5.393 -15.163 5.304 1.00 0.45 N ATOM 627 C2 C A 2 4.935 -14.764 6.560 1.00 0.44 C ATOM 628 O2 C A 2 4.052 -15.436 7.113 1.00 0.49 O ATOM 629 N3 C A 2 5.463 -13.662 7.138 1.00 0.43 N ATOM 630 C4 C A 2 6.413 -12.969 6.507 1.00 0.45 C ATOM 631 N4 C A 2 6.907 -11.889 7.117 1.00 0.49 N ATOM 632 C5 C A 2 6.898 -13.353 5.223 1.00 0.47 C ATOM 633 C6 C A 2 6.365 -14.447 4.662 1.00 0.46 C ATOM 0 H5' C A 2 6.123 -16.718 0.617 1.00 0.57 H new ATOM 0 H5'' C A 2 7.120 -16.150 1.941 1.00 0.57 H new ATOM 0 H4' C A 2 4.947 -18.162 2.345 1.00 0.55 H new ATOM 0 H3' C A 2 4.583 -15.165 2.058 1.00 0.51 H new ATOM 0 H2' C A 2 3.118 -15.131 3.984 1.00 0.53 H new ATOM 0 HO2' C A 2 1.787 -16.778 3.543 1.00 0.67 H new ATOM 0 H1' C A 2 4.462 -17.007 5.511 1.00 0.51 H new ATOM 0 H41 C A 2 7.634 -11.335 6.664 1.00 0.49 H new ATOM 0 H42 C A 2 6.557 -11.618 8.036 1.00 0.49 H new ATOM 0 H5 C A 2 7.666 -12.784 4.721 1.00 0.47 H new ATOM 0 H6 C A 2 6.708 -14.768 3.689 1.00 0.46 H new ATOM 645 P C A 3 1.877 -15.834 1.283 1.00 0.67 P ATOM 646 OP1 C A 3 0.845 -16.639 1.985 1.00 1.20 O ATOM 647 OP2 C A 3 1.696 -15.504 -0.154 1.00 1.00 O ATOM 648 O5' C A 3 2.075 -14.469 2.079 1.00 0.89 O ATOM 649 C5' C A 3 0.967 -13.577 2.308 1.00 0.68 C ATOM 650 C4' C A 3 0.550 -13.627 3.756 1.00 0.61 C ATOM 651 O4' C A 3 1.743 -13.637 4.573 1.00 0.67 O ATOM 652 C3' C A 3 -0.227 -12.411 4.222 1.00 0.56 C ATOM 653 O3' C A 3 -1.623 -12.590 4.000 1.00 0.57 O ATOM 654 C2' C A 3 0.097 -12.337 5.709 1.00 0.57 C ATOM 655 O2' C A 3 -0.767 -13.135 6.497 1.00 0.64 O ATOM 656 C1' C A 3 1.520 -12.899 5.759 1.00 0.62 C ATOM 657 N1 C A 3 2.535 -11.839 5.809 1.00 0.61 N ATOM 658 C2 C A 3 2.664 -11.081 6.972 1.00 0.56 C ATOM 659 O2 C A 3 1.918 -11.327 7.931 1.00 0.55 O ATOM 660 N3 C A 3 3.594 -10.100 7.022 1.00 0.58 N ATOM 661 C4 C A 3 4.375 -9.869 5.965 1.00 0.65 C ATOM 662 N4 C A 3 5.279 -8.894 6.057 1.00 0.71 N ATOM 663 C5 C A 3 4.264 -10.631 4.767 1.00 0.71 C ATOM 664 C6 C A 3 3.340 -11.597 4.731 1.00 0.68 C ATOM 0 H5' C A 3 0.128 -13.856 1.670 1.00 0.68 H new ATOM 0 H5'' C A 3 1.248 -12.559 2.038 1.00 0.68 H new ATOM 0 H4' C A 3 -0.080 -14.512 3.850 1.00 0.61 H new ATOM 0 H3' C A 3 0.038 -11.498 3.689 1.00 0.56 H new ATOM 0 H2' C A 3 -0.013 -11.328 6.107 1.00 0.57 H new ATOM 0 HO2' C A 3 -1.594 -13.310 6.001 1.00 0.64 H new ATOM 0 H1' C A 3 1.607 -13.509 6.658 1.00 0.62 H new ATOM 0 H41 C A 3 5.892 -8.691 5.268 1.00 0.71 H new ATOM 0 H42 C A 3 5.358 -8.351 6.917 1.00 0.71 H new ATOM 0 H5 C A 3 4.903 -10.436 3.918 1.00 0.71 H new ATOM 0 H6 C A 3 3.228 -12.194 3.838 1.00 0.68 H new ATOM 676 P C A 4 -2.512 -11.351 3.495 1.00 0.57 P ATOM 677 OP1 C A 4 -3.887 -11.859 3.259 1.00 0.60 O ATOM 678 OP2 C A 4 -1.781 -10.678 2.392 1.00 0.73 O ATOM 679 O5' C A 4 -2.559 -10.369 4.750 1.00 0.61 O ATOM 680 C5' C A 4 -3.679 -10.387 5.654 1.00 0.51 C ATOM 681 C4' C A 4 -3.352 -9.627 6.920 1.00 0.47 C ATOM 682 O4' C A 4 -1.950 -9.805 7.225 1.00 0.55 O ATOM 683 C3' C A 4 -3.499 -8.119 6.823 1.00 0.45 C ATOM 684 O3' C A 4 -4.850 -7.757 7.109 1.00 0.51 O ATOM 685 C2' C A 4 -2.582 -7.624 7.938 1.00 0.47 C ATOM 686 O2' C A 4 -3.233 -7.548 9.192 1.00 0.57 O ATOM 687 C1' C A 4 -1.492 -8.694 7.971 1.00 0.48 C ATOM 688 N1 C A 4 -0.229 -8.239 7.389 1.00 0.43 N ATOM 689 C2 C A 4 0.467 -7.211 8.019 1.00 0.39 C ATOM 690 O2 C A 4 -0.020 -6.695 9.036 1.00 0.43 O ATOM 691 N3 C A 4 1.648 -6.805 7.508 1.00 0.38 N ATOM 692 C4 C A 4 2.131 -7.389 6.412 1.00 0.45 C ATOM 693 N4 C A 4 3.298 -6.962 5.941 1.00 0.51 N ATOM 694 C5 C A 4 1.436 -8.436 5.747 1.00 0.51 C ATOM 695 C6 C A 4 0.268 -8.826 6.262 1.00 0.48 C ATOM 0 H5' C A 4 -3.940 -11.417 5.898 1.00 0.51 H new ATOM 0 H5'' C A 4 -4.550 -9.944 5.172 1.00 0.51 H new ATOM 0 H4' C A 4 -4.053 -10.019 7.657 1.00 0.47 H new ATOM 0 H3' C A 4 -3.254 -7.710 5.843 1.00 0.45 H new ATOM 0 H2' C A 4 -2.220 -6.613 7.753 1.00 0.47 H new ATOM 0 HO2' C A 4 -4.204 -7.571 9.059 1.00 0.57 H new ATOM 0 H1' C A 4 -1.300 -8.943 9.015 1.00 0.48 H new ATOM 0 H41 C A 4 3.696 -7.387 5.104 1.00 0.51 H new ATOM 0 H42 C A 4 3.795 -6.209 6.417 1.00 0.51 H new ATOM 0 H5 C A 4 1.838 -8.899 4.858 1.00 0.51 H new ATOM 0 H6 C A 4 -0.290 -9.616 5.781 1.00 0.48 H new ATOM 707 P U A 5 -5.763 -7.079 5.976 1.00 0.57 P ATOM 708 OP1 U A 5 -7.163 -7.534 6.172 1.00 0.77 O ATOM 709 OP2 U A 5 -5.096 -7.302 4.672 1.00 0.62 O ATOM 710 O5' U A 5 -5.691 -5.526 6.321 1.00 0.49 O ATOM 711 C5' U A 5 -4.525 -4.759 5.987 1.00 0.45 C ATOM 712 C4' U A 5 -4.063 -3.952 7.177 1.00 0.41 C ATOM 713 O4' U A 5 -2.844 -4.544 7.682 1.00 0.47 O ATOM 714 C3' U A 5 -3.688 -2.520 6.836 1.00 0.35 C ATOM 715 O3' U A 5 -4.843 -1.682 6.926 1.00 0.36 O ATOM 716 C2' U A 5 -2.651 -2.177 7.898 1.00 0.41 C ATOM 717 O2' U A 5 -3.228 -1.691 9.095 1.00 0.50 O ATOM 718 C1' U A 5 -1.981 -3.528 8.150 1.00 0.43 C ATOM 719 N1 U A 5 -0.705 -3.674 7.441 1.00 0.43 N ATOM 720 C2 U A 5 0.292 -2.781 7.741 1.00 0.40 C ATOM 721 O2 U A 5 0.154 -1.891 8.566 1.00 0.39 O ATOM 722 N3 U A 5 1.458 -2.964 7.043 1.00 0.43 N ATOM 723 C4 U A 5 1.715 -3.927 6.093 1.00 0.50 C ATOM 724 O4 U A 5 2.818 -3.959 5.546 1.00 0.54 O ATOM 725 C5 U A 5 0.627 -4.816 5.840 1.00 0.55 C ATOM 726 C6 U A 5 -0.521 -4.667 6.505 1.00 0.51 C ATOM 0 H5' U A 5 -4.747 -4.093 5.153 1.00 0.45 H new ATOM 0 H5'' U A 5 -3.726 -5.425 5.659 1.00 0.45 H new ATOM 0 H4' U A 5 -4.895 -3.951 7.881 1.00 0.41 H new ATOM 0 H3' U A 5 -3.304 -2.385 5.825 1.00 0.35 H new ATOM 0 H2' U A 5 -1.977 -1.384 7.573 1.00 0.41 H new ATOM 0 HO2' U A 5 -3.296 -0.714 9.052 1.00 0.50 H new ATOM 0 H1' U A 5 -1.785 -3.599 9.220 1.00 0.43 H new ATOM 0 H3 U A 5 2.218 -2.316 7.250 1.00 0.43 H new ATOM 0 H5 U A 5 0.732 -5.607 5.112 1.00 0.55 H new ATOM 0 H6 U A 5 -1.333 -5.349 6.302 1.00 0.51 H new ATOM 737 P G A 6 -4.690 -0.144 7.371 1.00 0.43 P ATOM 738 OP1 G A 6 -4.988 -0.046 8.823 1.00 0.65 O ATOM 739 OP2 G A 6 -5.467 0.675 6.407 1.00 0.54 O ATOM 740 O5' G A 6 -3.145 0.171 7.155 1.00 0.43 O ATOM 741 C5' G A 6 -2.565 1.400 7.624 1.00 0.47 C ATOM 742 C4' G A 6 -1.785 2.057 6.512 1.00 0.47 C ATOM 743 O4' G A 6 -0.465 1.463 6.455 1.00 0.53 O ATOM 744 C3' G A 6 -2.345 1.799 5.125 1.00 0.39 C ATOM 745 O3' G A 6 -3.364 2.747 4.818 1.00 0.41 O ATOM 746 C2' G A 6 -1.128 1.993 4.228 1.00 0.48 C ATOM 747 O2' G A 6 -0.934 3.343 3.850 1.00 0.59 O ATOM 748 C1' G A 6 0.021 1.529 5.127 1.00 0.49 C ATOM 749 N9 G A 6 0.537 0.212 4.766 1.00 0.50 N ATOM 750 C8 G A 6 -0.105 -0.998 4.887 1.00 0.60 C ATOM 751 N7 G A 6 0.622 -2.005 4.487 1.00 0.63 N ATOM 752 C5 G A 6 1.814 -1.427 4.075 1.00 0.54 C ATOM 753 C6 G A 6 2.990 -2.021 3.540 1.00 0.55 C ATOM 754 O6 G A 6 3.218 -3.215 3.321 1.00 0.61 O ATOM 755 N1 G A 6 3.964 -1.070 3.254 1.00 0.55 N ATOM 756 C2 G A 6 3.823 0.281 3.459 1.00 0.57 C ATOM 757 N2 G A 6 4.871 1.044 3.123 1.00 0.70 N ATOM 758 N3 G A 6 2.735 0.847 3.956 1.00 0.53 N ATOM 759 C4 G A 6 1.778 -0.060 4.239 1.00 0.49 C ATOM 0 H5' G A 6 -1.910 1.203 8.472 1.00 0.47 H new ATOM 0 H5'' G A 6 -3.349 2.071 7.976 1.00 0.47 H new ATOM 0 H4' G A 6 -1.812 3.123 6.739 1.00 0.47 H new ATOM 0 H3' G A 6 -2.806 0.818 5.013 1.00 0.39 H new ATOM 0 H2' G A 6 -1.220 1.451 3.287 1.00 0.48 H new ATOM 0 HO2' G A 6 -0.160 3.407 3.253 1.00 0.59 H new ATOM 0 H1' G A 6 0.838 2.241 5.013 1.00 0.49 H new ATOM 0 H8 G A 6 -1.108 -1.104 5.273 1.00 0.60 H new ATOM 0 H1 G A 6 4.847 -1.400 2.864 1.00 0.55 H new ATOM 0 H21 G A 6 4.828 2.055 3.251 1.00 0.70 H new ATOM 0 H22 G A 6 5.712 0.614 2.739 1.00 0.70 H new ATOM 771 P A A 7 -4.243 2.566 3.486 1.00 0.43 P ATOM 772 OP1 A A 7 -4.759 3.899 3.082 1.00 0.66 O ATOM 773 OP2 A A 7 -5.197 1.454 3.730 1.00 0.74 O ATOM 774 O5' A A 7 -3.189 2.086 2.395 1.00 0.33 O ATOM 775 C5' A A 7 -3.603 1.769 1.053 1.00 0.29 C ATOM 776 C4' A A 7 -2.566 2.237 0.064 1.00 0.23 C ATOM 777 O4' A A 7 -2.505 3.681 0.095 1.00 0.23 O ATOM 778 C3' A A 7 -1.143 1.827 0.387 1.00 0.25 C ATOM 779 O3' A A 7 -0.893 0.521 -0.110 1.00 0.27 O ATOM 780 C2' A A 7 -0.316 2.865 -0.366 1.00 0.24 C ATOM 781 O2' A A 7 -0.062 2.505 -1.709 1.00 0.25 O ATOM 782 C1' A A 7 -1.218 4.096 -0.317 1.00 0.21 C ATOM 783 N9 A A 7 -0.738 5.116 0.615 1.00 0.24 N ATOM 784 C8 A A 7 -1.274 5.476 1.826 1.00 0.29 C ATOM 785 N7 A A 7 -0.608 6.428 2.435 1.00 0.33 N ATOM 786 C5 A A 7 0.435 6.714 1.565 1.00 0.30 C ATOM 787 C6 A A 7 1.497 7.633 1.629 1.00 0.34 C ATOM 788 N6 A A 7 1.691 8.471 2.651 1.00 0.39 N ATOM 789 N1 A A 7 2.363 7.664 0.593 1.00 0.35 N ATOM 790 C2 A A 7 2.168 6.823 -0.431 1.00 0.32 C ATOM 791 N3 A A 7 1.210 5.917 -0.605 1.00 0.27 N ATOM 792 C4 A A 7 0.367 5.913 0.440 1.00 0.25 C ATOM 0 H5' A A 7 -4.561 2.243 0.839 1.00 0.29 H new ATOM 0 H5'' A A 7 -3.751 0.694 0.955 1.00 0.29 H new ATOM 0 H4' A A 7 -2.877 1.793 -0.882 1.00 0.23 H new ATOM 0 H3' A A 7 -0.920 1.796 1.454 1.00 0.25 H new ATOM 0 H2' A A 7 0.672 2.998 0.074 1.00 0.24 H new ATOM 0 HO2' A A 7 0.469 3.206 -2.141 1.00 0.25 H new ATOM 0 H1' A A 7 -1.227 4.542 -1.311 1.00 0.21 H new ATOM 0 H8 A A 7 -2.161 5.018 2.239 1.00 0.29 H new ATOM 0 H61 A A 7 2.481 9.116 2.639 1.00 0.39 H new ATOM 0 H62 A A 7 1.049 8.466 3.443 1.00 0.39 H new ATOM 0 H2 A A 7 2.892 6.890 -1.229 1.00 0.32 H new ATOM 804 P A A 8 -0.092 -0.535 0.791 1.00 0.37 P ATOM 805 OP1 A A 8 -0.554 -1.893 0.414 1.00 0.44 O ATOM 806 OP2 A A 8 -0.196 -0.092 2.204 1.00 0.47 O ATOM 807 O5' A A 8 1.421 -0.355 0.325 1.00 0.38 O ATOM 808 C5' A A 8 1.731 0.041 -1.024 1.00 0.39 C ATOM 809 C4' A A 8 2.866 1.035 -1.032 1.00 0.43 C ATOM 810 O4' A A 8 2.378 2.298 -0.520 1.00 0.37 O ATOM 811 C3' A A 8 4.015 0.682 -0.103 1.00 0.53 C ATOM 812 O3' A A 8 4.954 -0.190 -0.738 1.00 0.66 O ATOM 813 C2' A A 8 4.639 2.042 0.190 1.00 0.50 C ATOM 814 O2' A A 8 5.568 2.446 -0.798 1.00 0.58 O ATOM 815 C1' A A 8 3.422 2.970 0.160 1.00 0.38 C ATOM 816 N9 A A 8 2.941 3.316 1.497 1.00 0.36 N ATOM 817 C8 A A 8 1.886 2.762 2.177 1.00 0.42 C ATOM 818 N7 A A 8 1.685 3.290 3.359 1.00 0.47 N ATOM 819 C5 A A 8 2.678 4.254 3.467 1.00 0.41 C ATOM 820 C6 A A 8 3.007 5.163 4.487 1.00 0.44 C ATOM 821 N6 A A 8 2.342 5.253 5.640 1.00 0.54 N ATOM 822 N1 A A 8 4.056 5.988 4.279 1.00 0.40 N ATOM 823 C2 A A 8 4.723 5.897 3.122 1.00 0.36 C ATOM 824 N3 A A 8 4.509 5.085 2.088 1.00 0.35 N ATOM 825 C4 A A 8 3.459 4.280 2.327 1.00 0.35 C ATOM 0 H5' A A 8 0.850 0.481 -1.492 1.00 0.39 H new ATOM 0 H5'' A A 8 2.002 -0.835 -1.614 1.00 0.39 H new ATOM 0 H4' A A 8 3.220 1.055 -2.063 1.00 0.43 H new ATOM 0 H3' A A 8 3.694 0.149 0.792 1.00 0.53 H new ATOM 0 H2' A A 8 5.201 2.042 1.124 1.00 0.50 H new ATOM 0 HO2' A A 8 5.184 2.299 -1.688 1.00 0.58 H new ATOM 0 H1' A A 8 3.719 3.894 -0.336 1.00 0.38 H new ATOM 0 H8 A A 8 1.278 1.965 1.775 1.00 0.42 H new ATOM 0 H61 A A 8 2.629 5.934 6.343 1.00 0.54 H new ATOM 0 H62 A A 8 1.546 4.641 5.819 1.00 0.54 H new ATOM 0 H2 A A 8 5.553 6.579 3.011 1.00 0.36 H new ATOM 837 P A A 9 5.101 -0.190 -2.339 1.00 1.47 P ATOM 838 OP1 A A 9 5.296 1.210 -2.792 1.00 2.35 O ATOM 839 OP2 A A 9 3.978 -0.989 -2.890 1.00 2.33 O ATOM 840 O5' A A 9 6.453 -0.991 -2.601 1.00 1.08 O ATOM 841 C5' A A 9 7.574 -0.857 -1.708 1.00 1.04 C ATOM 842 C4' A A 9 8.473 0.267 -2.165 1.00 1.09 C ATOM 843 O4' A A 9 7.989 0.749 -3.442 1.00 1.26 O ATOM 844 C3' A A 9 8.448 1.493 -1.273 1.00 0.99 C ATOM 845 O3' A A 9 9.388 1.366 -0.211 1.00 1.17 O ATOM 846 C2' A A 9 8.840 2.614 -2.226 1.00 1.26 C ATOM 847 O2' A A 9 10.241 2.747 -2.363 1.00 1.57 O ATOM 848 C1' A A 9 8.228 2.140 -3.547 1.00 1.29 C ATOM 849 N9 A A 9 6.947 2.784 -3.839 1.00 0.00 N ATOM 850 C8 A A 9 6.296 3.738 -3.098 1.00 0.00 C ATOM 851 N7 A A 9 5.156 4.124 -3.618 1.00 0.00 N ATOM 852 C5 A A 9 5.049 3.372 -4.779 1.00 0.00 C ATOM 853 C6 A A 9 4.064 3.310 -5.779 1.00 0.00 C ATOM 854 N6 A A 9 2.953 4.049 -5.772 1.00 0.00 N ATOM 855 N1 A A 9 4.262 2.451 -6.803 1.00 0.00 N ATOM 856 C2 A A 9 5.377 1.709 -6.808 1.00 0.00 C ATOM 857 N3 A A 9 6.373 1.678 -5.929 1.00 0.00 N ATOM 858 C4 A A 9 6.146 2.543 -4.927 1.00 0.00 C ATOM 0 H5' A A 9 8.135 -1.791 -1.675 1.00 1.04 H new ATOM 0 H5'' A A 9 7.221 -0.661 -0.696 1.00 1.04 H new ATOM 0 H4' A A 9 9.478 -0.155 -2.175 1.00 1.09 H new ATOM 0 H3' A A 9 7.485 1.659 -0.790 1.00 0.99 H new ATOM 0 H2' A A 9 8.498 3.591 -1.884 1.00 1.26 H new ATOM 0 HO2' A A 9 10.688 2.281 -1.626 1.00 1.57 H new ATOM 0 H1' A A 9 8.926 2.392 -4.345 1.00 1.29 H new ATOM 0 H8 A A 9 6.686 4.134 -2.172 1.00 0.00 H new ATOM 0 H61 A A 9 2.275 3.958 -6.529 1.00 0.00 H new ATOM 0 H62 A A 9 2.782 4.705 -5.010 1.00 0.00 H new ATOM 0 H2 A A 9 5.482 1.039 -7.648 1.00 0.00 H new ATOM 870 P A A 10 8.925 0.734 1.192 1.00 1.33 P ATOM 871 OP1 A A 10 9.475 -0.642 1.285 1.00 2.11 O ATOM 872 OP2 A A 10 7.455 0.950 1.329 1.00 2.10 O ATOM 873 O5' A A 10 9.656 1.636 2.280 1.00 0.79 O ATOM 874 C5' A A 10 9.240 1.598 3.654 1.00 0.59 C ATOM 875 C4' A A 10 9.349 2.966 4.281 1.00 0.54 C ATOM 876 O4' A A 10 8.125 3.690 4.017 1.00 0.50 O ATOM 877 C3' A A 10 9.459 2.930 5.793 1.00 0.50 C ATOM 878 O3' A A 10 10.821 2.830 6.199 1.00 0.61 O ATOM 879 C2' A A 10 8.822 4.242 6.232 1.00 0.50 C ATOM 880 O2' A A 10 9.742 5.317 6.244 1.00 0.61 O ATOM 881 C1' A A 10 7.767 4.467 5.146 1.00 0.48 C ATOM 882 N9 A A 10 6.448 4.002 5.558 1.00 0.45 N ATOM 883 C8 A A 10 5.701 3.038 4.935 1.00 0.45 C ATOM 884 N7 A A 10 4.551 2.801 5.514 1.00 0.51 N ATOM 885 C5 A A 10 4.542 3.669 6.599 1.00 0.54 C ATOM 886 C6 A A 10 3.601 3.906 7.615 1.00 0.64 C ATOM 887 N6 A A 10 2.434 3.264 7.708 1.00 0.72 N ATOM 888 N1 A A 10 3.902 4.839 8.544 1.00 0.69 N ATOM 889 C2 A A 10 5.072 5.483 8.449 1.00 0.66 C ATOM 890 N3 A A 10 6.036 5.349 7.543 1.00 0.58 N ATOM 891 C4 A A 10 5.706 4.416 6.635 1.00 0.51 C ATOM 0 H5' A A 10 9.856 0.889 4.207 1.00 0.59 H new ATOM 0 H5'' A A 10 8.211 1.244 3.718 1.00 0.59 H new ATOM 0 H4' A A 10 10.245 3.421 3.859 1.00 0.54 H new ATOM 0 H3' A A 10 8.967 2.067 6.242 1.00 0.50 H new ATOM 0 H2' A A 10 8.432 4.195 7.249 1.00 0.50 H new ATOM 0 HO2' A A 10 9.285 6.135 6.531 1.00 0.61 H new ATOM 0 H1' A A 10 7.728 5.537 4.940 1.00 0.48 H new ATOM 0 H8 A A 10 6.031 2.520 4.046 1.00 0.45 H new ATOM 0 H61 A A 10 1.792 3.481 8.470 1.00 0.72 H new ATOM 0 H62 A A 10 2.185 2.557 7.017 1.00 0.72 H new ATOM 0 H2 A A 10 5.260 6.217 9.219 1.00 0.66 H new ATOM 903 P A A 11 11.200 2.954 7.757 1.00 0.62 P ATOM 904 OP1 A A 11 11.946 4.222 7.955 1.00 0.77 O ATOM 905 OP2 A A 11 11.816 1.668 8.168 1.00 0.65 O ATOM 906 O5' A A 11 9.790 3.084 8.489 1.00 0.58 O ATOM 907 C5' A A 11 9.575 4.080 9.507 1.00 0.56 C ATOM 908 C4' A A 11 8.235 3.866 10.174 1.00 0.49 C ATOM 909 O4' A A 11 7.242 3.629 9.143 1.00 0.46 O ATOM 910 C3' A A 11 8.159 2.636 11.062 1.00 0.47 C ATOM 911 O3' A A 11 8.574 2.946 12.391 1.00 0.51 O ATOM 912 C2' A A 11 6.678 2.279 11.026 1.00 0.43 C ATOM 913 O2' A A 11 5.921 2.983 11.993 1.00 0.47 O ATOM 914 C1' A A 11 6.268 2.716 9.619 1.00 0.42 C ATOM 915 N9 A A 11 6.210 1.594 8.684 1.00 0.41 N ATOM 916 C8 A A 11 7.200 1.153 7.841 1.00 0.46 C ATOM 917 N7 A A 11 6.853 0.115 7.117 1.00 0.47 N ATOM 918 C5 A A 11 5.548 -0.144 7.510 1.00 0.42 C ATOM 919 C6 A A 11 4.617 -1.120 7.116 1.00 0.43 C ATOM 920 N6 A A 11 4.859 -2.062 6.198 1.00 0.49 N ATOM 921 N1 A A 11 3.404 -1.099 7.707 1.00 0.40 N ATOM 922 C2 A A 11 3.149 -0.166 8.627 1.00 0.37 C ATOM 923 N3 A A 11 3.938 0.803 9.082 1.00 0.37 N ATOM 924 C4 A A 11 5.138 0.759 8.476 1.00 0.39 C ATOM 0 H5' A A 11 9.614 5.076 9.066 1.00 0.56 H new ATOM 0 H5'' A A 11 10.371 4.029 10.250 1.00 0.56 H new ATOM 0 H4' A A 11 8.072 4.756 10.781 1.00 0.49 H new ATOM 0 H3' A A 11 8.806 1.823 10.730 1.00 0.47 H new ATOM 0 H2' A A 11 6.503 1.226 11.247 1.00 0.43 H new ATOM 0 HO2' A A 11 6.525 3.392 12.647 1.00 0.47 H new ATOM 0 H1' A A 11 5.274 3.160 9.679 1.00 0.42 H new ATOM 0 H8 A A 11 8.173 1.617 7.780 1.00 0.46 H new ATOM 0 H61 A A 11 4.135 -2.740 5.960 1.00 0.49 H new ATOM 0 H62 A A 11 5.767 -2.102 5.736 1.00 0.49 H new ATOM 0 H2 A A 11 2.162 -0.203 9.064 1.00 0.37 H new ATOM 936 P G A 12 9.513 1.916 13.193 1.00 0.56 P ATOM 937 OP1 G A 12 10.277 2.679 14.212 1.00 0.65 O ATOM 938 OP2 G A 12 10.243 1.104 12.186 1.00 0.68 O ATOM 939 O5' G A 12 8.487 0.960 13.949 1.00 0.50 O ATOM 940 C5' G A 12 7.999 -0.243 13.324 1.00 0.47 C ATOM 941 C4' G A 12 6.491 -0.275 13.359 1.00 0.42 C ATOM 942 O4' G A 12 6.017 -0.099 12.005 1.00 0.40 O ATOM 943 C3' G A 12 5.894 -1.597 13.809 1.00 0.39 C ATOM 944 O3' G A 12 5.758 -1.602 15.236 1.00 0.43 O ATOM 945 C2' G A 12 4.546 -1.626 13.091 1.00 0.35 C ATOM 946 O2' G A 12 3.526 -0.961 13.813 1.00 0.37 O ATOM 947 C1' G A 12 4.847 -0.861 11.800 1.00 0.35 C ATOM 948 N9 G A 12 5.092 -1.723 10.651 1.00 0.33 N ATOM 949 C8 G A 12 6.178 -1.677 9.812 1.00 0.36 C ATOM 950 N7 G A 12 6.112 -2.544 8.839 1.00 0.36 N ATOM 951 C5 G A 12 4.912 -3.208 9.054 1.00 0.33 C ATOM 952 C6 G A 12 4.301 -4.253 8.321 1.00 0.36 C ATOM 953 O6 G A 12 4.712 -4.823 7.301 1.00 0.40 O ATOM 954 N1 G A 12 3.083 -4.631 8.881 1.00 0.36 N ATOM 955 C2 G A 12 2.533 -4.071 10.010 1.00 0.34 C ATOM 956 N2 G A 12 1.353 -4.572 10.402 1.00 0.37 N ATOM 957 N3 G A 12 3.094 -3.095 10.701 1.00 0.31 N ATOM 958 C4 G A 12 4.273 -2.714 10.170 1.00 0.31 C ATOM 0 H5' G A 12 8.400 -1.117 13.838 1.00 0.47 H new ATOM 0 H5'' G A 12 8.347 -0.292 12.292 1.00 0.47 H new ATOM 0 H4' G A 12 6.194 0.500 14.066 1.00 0.42 H new ATOM 0 H3' G A 12 6.498 -2.473 13.572 1.00 0.39 H new ATOM 0 H2' G A 12 4.177 -2.642 12.951 1.00 0.35 H new ATOM 0 HO2' G A 12 2.973 -1.621 14.281 1.00 0.37 H new ATOM 0 H1' G A 12 3.968 -0.255 11.580 1.00 0.35 H new ATOM 0 H8 G A 12 7.003 -0.993 9.944 1.00 0.36 H new ATOM 0 H1 G A 12 2.562 -5.377 8.420 1.00 0.36 H new ATOM 0 H21 G A 12 0.892 -4.200 11.232 1.00 0.37 H new ATOM 0 H22 G A 12 0.917 -5.325 9.870 1.00 0.37 H new ATOM 970 P G A 13 4.508 -2.340 15.933 1.00 0.51 P ATOM 971 OP1 G A 13 3.739 -3.048 14.883 1.00 0.59 O ATOM 972 OP2 G A 13 3.819 -1.356 16.806 1.00 0.57 O ATOM 973 O5' G A 13 5.182 -3.442 16.867 1.00 0.57 O ATOM 974 C5' G A 13 5.702 -4.663 16.309 1.00 0.62 C ATOM 975 C4' G A 13 4.579 -5.626 16.019 1.00 0.60 C ATOM 976 O4' G A 13 3.983 -5.228 14.761 1.00 0.59 O ATOM 977 C3' G A 13 5.025 -7.061 15.793 1.00 0.59 C ATOM 978 O3' G A 13 5.089 -7.790 17.026 1.00 0.66 O ATOM 979 C2' G A 13 3.962 -7.611 14.847 1.00 0.57 C ATOM 980 O2' G A 13 2.816 -8.122 15.497 1.00 0.63 O ATOM 981 C1' G A 13 3.576 -6.373 14.040 1.00 0.54 C ATOM 982 N9 G A 13 4.241 -6.350 12.745 1.00 0.50 N ATOM 983 C8 G A 13 5.258 -5.519 12.344 1.00 0.54 C ATOM 984 N7 G A 13 5.663 -5.760 11.126 1.00 0.56 N ATOM 985 C5 G A 13 4.862 -6.812 10.701 1.00 0.50 C ATOM 986 C6 G A 13 4.833 -7.507 9.466 1.00 0.53 C ATOM 987 O6 G A 13 5.536 -7.327 8.466 1.00 0.60 O ATOM 988 N1 G A 13 3.861 -8.505 9.461 1.00 0.51 N ATOM 989 C2 G A 13 3.027 -8.794 10.514 1.00 0.48 C ATOM 990 N2 G A 13 2.154 -9.792 10.324 1.00 0.52 N ATOM 991 N3 G A 13 3.045 -8.154 11.668 1.00 0.47 N ATOM 992 C4 G A 13 3.979 -7.183 11.690 1.00 0.47 C ATOM 0 H5' G A 13 6.409 -5.116 17.004 1.00 0.62 H new ATOM 0 H5'' G A 13 6.251 -4.447 15.392 1.00 0.62 H new ATOM 0 H4' G A 13 3.920 -5.594 16.887 1.00 0.60 H new ATOM 0 H3' G A 13 6.030 -7.141 15.380 1.00 0.59 H new ATOM 0 H2' G A 13 4.344 -8.454 14.272 1.00 0.57 H new ATOM 0 HO2' G A 13 2.446 -7.438 16.093 1.00 0.63 H new ATOM 0 H1' G A 13 2.498 -6.390 13.879 1.00 0.54 H new ATOM 0 H8 G A 13 5.679 -4.747 12.971 1.00 0.54 H new ATOM 0 H1 G A 13 3.761 -9.063 8.613 1.00 0.51 H new ATOM 0 H21 G A 13 1.508 -10.054 11.069 1.00 0.52 H new ATOM 0 H22 G A 13 2.135 -10.290 9.434 1.00 0.52 H new ATOM 1004 P G A 14 3.740 -8.212 17.795 1.00 0.74 P ATOM 1005 OP1 G A 14 2.687 -7.207 17.499 1.00 0.90 O ATOM 1006 OP2 G A 14 4.110 -8.487 19.207 1.00 0.80 O ATOM 1007 O5' G A 14 3.326 -9.599 17.126 1.00 0.68 O ATOM 1008 C5' G A 14 1.960 -10.060 17.161 1.00 0.70 C ATOM 1009 C4' G A 14 1.829 -11.386 16.442 1.00 0.68 C ATOM 1010 O4' G A 14 1.685 -11.137 15.021 1.00 0.67 O ATOM 1011 C3' G A 14 3.045 -12.289 16.514 1.00 0.67 C ATOM 1012 O3' G A 14 3.055 -13.045 17.719 1.00 0.77 O ATOM 1013 C2' G A 14 2.848 -13.191 15.302 1.00 0.67 C ATOM 1014 O2' G A 14 1.966 -14.268 15.556 1.00 0.80 O ATOM 1015 C1' G A 14 2.211 -12.235 14.293 1.00 0.61 C ATOM 1016 N9 G A 14 3.190 -11.721 13.341 1.00 0.50 N ATOM 1017 C8 G A 14 3.982 -10.613 13.500 1.00 0.50 C ATOM 1018 N7 G A 14 4.777 -10.403 12.487 1.00 0.47 N ATOM 1019 C5 G A 14 4.491 -11.436 11.605 1.00 0.41 C ATOM 1020 C6 G A 14 5.039 -11.733 10.332 1.00 0.40 C ATOM 1021 O6 G A 14 5.917 -11.120 9.713 1.00 0.45 O ATOM 1022 N1 G A 14 4.464 -12.875 9.776 1.00 0.41 N ATOM 1023 C2 G A 14 3.485 -13.629 10.380 1.00 0.46 C ATOM 1024 N2 G A 14 3.053 -14.695 9.692 1.00 0.55 N ATOM 1025 N3 G A 14 2.966 -13.361 11.567 1.00 0.49 N ATOM 1026 C4 G A 14 3.512 -12.258 12.118 1.00 0.44 C ATOM 0 H5' G A 14 1.309 -9.321 16.695 1.00 0.70 H new ATOM 0 H5'' G A 14 1.632 -10.166 18.195 1.00 0.70 H new ATOM 0 H4' G A 14 0.984 -11.870 16.932 1.00 0.68 H new ATOM 0 H3' G A 14 3.991 -11.748 16.510 1.00 0.67 H new ATOM 0 H2' G A 14 3.779 -13.657 14.980 1.00 0.67 H new ATOM 0 HO2' G A 14 1.874 -14.813 14.747 1.00 0.80 H new ATOM 0 H1' G A 14 1.443 -12.772 13.735 1.00 0.61 H new ATOM 0 H8 G A 14 3.951 -9.979 14.374 1.00 0.50 H new ATOM 0 H1 G A 14 4.792 -13.172 8.857 1.00 0.41 H new ATOM 0 H21 G A 14 2.328 -15.296 10.084 1.00 0.55 H new ATOM 0 H22 G A 14 3.449 -14.906 8.776 1.00 0.55 H new ATOM 1038 P C A 15 4.398 -13.804 18.169 1.00 0.87 P ATOM 1039 OP1 C A 15 4.128 -14.518 19.442 1.00 1.02 O ATOM 1040 OP2 C A 15 5.509 -12.821 18.100 1.00 0.91 O ATOM 1041 O5' C A 15 4.626 -14.889 17.025 1.00 0.85 O ATOM 1042 C5' C A 15 3.728 -16.004 16.882 1.00 0.94 C ATOM 1043 C4' C A 15 4.147 -16.873 15.718 1.00 0.97 C ATOM 1044 O4' C A 15 4.052 -16.114 14.489 1.00 0.84 O ATOM 1045 C3' C A 15 5.600 -17.314 15.738 1.00 1.09 C ATOM 1046 O3' C A 15 5.771 -18.475 16.562 1.00 1.31 O ATOM 1047 C2' C A 15 5.869 -17.643 14.274 1.00 1.09 C ATOM 1048 O2' C A 15 5.519 -18.971 13.935 1.00 1.30 O ATOM 1049 C1' C A 15 4.957 -16.655 13.542 1.00 0.89 C ATOM 1050 N1 C A 15 5.717 -15.556 12.931 1.00 0.75 N ATOM 1051 C2 C A 15 6.368 -15.793 11.718 1.00 0.77 C ATOM 1052 O2 C A 15 6.275 -16.910 11.192 1.00 0.89 O ATOM 1053 N3 C A 15 7.084 -14.804 11.150 1.00 0.70 N ATOM 1054 C4 C A 15 7.164 -13.617 11.740 1.00 0.66 C ATOM 1055 N4 C A 15 7.884 -12.681 11.133 1.00 0.71 N ATOM 1056 C5 C A 15 6.509 -13.341 12.975 1.00 0.64 C ATOM 1057 C6 C A 15 5.800 -14.332 13.533 1.00 0.66 C ATOM 0 H5' C A 15 2.711 -15.643 16.727 1.00 0.94 H new ATOM 0 H5'' C A 15 3.720 -16.593 17.799 1.00 0.94 H new ATOM 0 H4' C A 15 3.489 -17.739 15.789 1.00 0.97 H new ATOM 0 H3' C A 15 6.276 -16.562 16.146 1.00 1.09 H new ATOM 0 H2' C A 15 6.927 -17.562 14.022 1.00 1.09 H new ATOM 0 HO2' C A 15 5.379 -19.492 14.753 1.00 1.30 H new ATOM 0 HO3' C A 15 6.714 -18.742 16.559 1.00 1.31 H new ATOM 0 H1' C A 15 4.438 -17.185 12.743 1.00 0.89 H new ATOM 0 H41 C A 15 7.973 -11.755 11.551 1.00 0.71 H new ATOM 0 H42 C A 15 8.349 -12.888 10.249 1.00 0.71 H new ATOM 0 H5 C A 15 6.581 -12.371 13.443 1.00 0.64 H new ATOM 0 H6 C A 15 5.289 -14.161 14.469 1.00 0.66 H new TER 1069 C A 15