USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=20 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 47:sc= -5.97! USER MOD Single : A 2 C O2' : rot -9:sc= 0.157 USER MOD Single : A 3 C O2' : rot -15:sc= 0.142 USER MOD Single : A 4 C O2' : rot 57:sc= -5.77! USER MOD Single : A 5 U O2' : rot -17:sc= -0.306 USER MOD Single : A 6 G O2' : rot -113:sc= -0.628 USER MOD Single : A 7 A O2' : rot 180:sc= -6.93! USER MOD Single : A 8 A O2' : rot 59:sc= -2.85! USER MOD Single : A 9 A O2' : rot -14:sc= 0.126 USER MOD Single : A 10 A O2' : rot -21:sc= 0.146 USER MOD Single : A 11 A O2' : rot -85:sc= -0.767! USER MOD Single : A 12 G O2' : rot -25:sc= 0.149 USER MOD Single : A 13 G O2' : rot 56:sc= -7.24! USER MOD Single : A 14 G O2' : rot 18:sc= -3.8! USER MOD Single : A 15 C O2' : rot -26:sc= 0.159 USER MOD Single : A 15 C O3' : rot 180:sc= 0.155 USER MOD Single : B 4 GLN : amide:sc= -3.05! C(o=-3.1!,f=-3.6!) USER MOD Single : B 5 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 GLN :FLIP amide:sc= -2.07 F(o=-4.2,f=-2.1) USER MOD Single : B 17 GLN : amide:sc= -0.166 X(o=-0.17,f=-0.14) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 ASN :FLIP amide:sc= -5.64! C(o=-6.2!,f=-5.6!) USER MOD Single : B 29 SER OG : rot 180:sc= 0 USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 ASN : amide:sc= -0.22 K(o=-0.22,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP B 2 10.068 -9.676 0.647 1.00 0.76 N ATOM 2 CA ASP B 2 9.482 -10.873 1.320 1.00 0.88 C ATOM 3 C ASP B 2 8.016 -11.037 0.925 1.00 0.68 C ATOM 4 O ASP B 2 7.561 -10.499 -0.066 1.00 0.66 O ATOM 5 CB ASP B 2 9.597 -10.598 2.824 1.00 1.25 C ATOM 6 CG ASP B 2 11.024 -10.164 3.170 1.00 1.88 C ATOM 7 OD1 ASP B 2 11.302 -8.980 3.076 1.00 2.35 O ATOM 8 OD2 ASP B 2 11.813 -11.024 3.524 1.00 2.37 O ATOM 0 HA ASP B 2 9.999 -11.790 1.035 1.00 0.88 H new ATOM 0 HB2 ASP B 2 8.891 -9.820 3.115 1.00 1.25 H new ATOM 0 HB3 ASP B 2 9.334 -11.494 3.387 1.00 1.25 H new ATOM 15 N ALA B 3 7.279 -11.778 1.699 1.00 0.63 N ATOM 16 CA ALA B 3 5.832 -11.992 1.392 1.00 0.58 C ATOM 17 C ALA B 3 5.101 -10.653 1.326 1.00 0.63 C ATOM 18 O ALA B 3 4.083 -10.522 0.673 1.00 0.61 O ATOM 19 CB ALA B 3 5.303 -12.828 2.556 1.00 0.75 C ATOM 0 H ALA B 3 7.615 -12.250 2.538 1.00 0.63 H new ATOM 0 HA ALA B 3 5.683 -12.484 0.431 1.00 0.58 H new ATOM 0 HB1 ALA B 3 4.242 -13.030 2.407 1.00 0.75 H new ATOM 0 HB2 ALA B 3 5.848 -13.771 2.604 1.00 0.75 H new ATOM 0 HB3 ALA B 3 5.440 -12.281 3.489 1.00 0.75 H new ATOM 25 N GLN B 4 5.611 -9.657 1.995 1.00 0.75 N ATOM 26 CA GLN B 4 4.942 -8.327 1.969 1.00 0.89 C ATOM 27 C GLN B 4 5.118 -7.691 0.606 1.00 0.79 C ATOM 28 O GLN B 4 4.157 -7.362 -0.063 1.00 0.81 O ATOM 29 CB GLN B 4 5.646 -7.494 3.035 1.00 1.09 C ATOM 30 CG GLN B 4 5.016 -6.102 3.094 1.00 1.29 C ATOM 31 CD GLN B 4 5.804 -5.225 4.066 1.00 0.85 C ATOM 32 OE1 GLN B 4 6.352 -5.713 5.036 1.00 1.14 O ATOM 33 NE2 GLN B 4 5.893 -3.944 3.843 1.00 0.94 N ATOM 0 H GLN B 4 6.460 -9.706 2.558 1.00 0.75 H new ATOM 0 HA GLN B 4 3.872 -8.403 2.160 1.00 0.89 H new ATOM 0 HB2 GLN B 4 5.565 -7.983 4.006 1.00 1.09 H new ATOM 0 HB3 GLN B 4 6.709 -7.414 2.806 1.00 1.09 H new ATOM 0 HG2 GLN B 4 5.013 -5.651 2.102 1.00 1.29 H new ATOM 0 HG3 GLN B 4 3.977 -6.175 3.415 1.00 1.29 H new ATOM 0 HE21 GLN B 4 5.433 -3.535 3.030 1.00 0.94 H new ATOM 0 HE22 GLN B 4 6.422 -3.351 4.482 1.00 0.94 H new ATOM 42 N THR B 5 6.338 -7.527 0.182 1.00 0.76 N ATOM 43 CA THR B 5 6.573 -6.927 -1.160 1.00 0.79 C ATOM 44 C THR B 5 5.670 -7.644 -2.158 1.00 0.59 C ATOM 45 O THR B 5 5.123 -7.055 -3.069 1.00 0.57 O ATOM 46 CB THR B 5 8.044 -7.176 -1.476 1.00 0.94 C ATOM 47 OG1 THR B 5 8.853 -6.559 -0.484 1.00 1.26 O ATOM 48 CG2 THR B 5 8.362 -6.580 -2.842 1.00 0.94 C ATOM 0 H THR B 5 7.178 -7.780 0.702 1.00 0.76 H new ATOM 0 HA THR B 5 6.352 -5.860 -1.201 1.00 0.79 H new ATOM 0 HB THR B 5 8.246 -8.247 -1.486 1.00 0.94 H new ATOM 0 HG1 THR B 5 9.798 -6.720 -0.686 1.00 1.26 H new ATOM 0 HG21 THR B 5 9.412 -6.752 -3.079 1.00 0.94 H new ATOM 0 HG22 THR B 5 7.737 -7.053 -3.600 1.00 0.94 H new ATOM 0 HG23 THR B 5 8.165 -5.508 -2.826 1.00 0.94 H new ATOM 56 N ARG B 6 5.475 -8.917 -1.941 1.00 0.48 N ATOM 57 CA ARG B 6 4.564 -9.696 -2.817 1.00 0.46 C ATOM 58 C ARG B 6 3.140 -9.307 -2.483 1.00 0.43 C ATOM 59 O ARG B 6 2.316 -9.078 -3.347 1.00 0.45 O ATOM 60 CB ARG B 6 4.769 -11.155 -2.428 1.00 0.56 C ATOM 61 CG ARG B 6 5.404 -11.920 -3.591 1.00 0.78 C ATOM 62 CD ARG B 6 4.804 -13.326 -3.668 1.00 1.03 C ATOM 63 NE ARG B 6 5.497 -14.100 -2.597 1.00 0.88 N ATOM 64 CZ ARG B 6 5.416 -15.408 -2.561 1.00 0.73 C ATOM 65 NH1 ARG B 6 4.727 -16.060 -3.463 1.00 1.26 N ATOM 66 NH2 ARG B 6 6.029 -16.066 -1.617 1.00 1.43 N ATOM 0 H ARG B 6 5.912 -9.450 -1.189 1.00 0.48 H new ATOM 0 HA ARG B 6 4.755 -9.521 -3.876 1.00 0.46 H new ATOM 0 HB2 ARG B 6 5.408 -11.219 -1.547 1.00 0.56 H new ATOM 0 HB3 ARG B 6 3.813 -11.607 -2.162 1.00 0.56 H new ATOM 0 HG2 ARG B 6 5.232 -11.388 -4.527 1.00 0.78 H new ATOM 0 HG3 ARG B 6 6.484 -11.981 -3.453 1.00 0.78 H new ATOM 0 HD2 ARG B 6 3.726 -13.305 -3.505 1.00 1.03 H new ATOM 0 HD3 ARG B 6 4.970 -13.773 -4.648 1.00 1.03 H new ATOM 0 HE ARG B 6 6.038 -13.607 -1.887 1.00 0.88 H new ATOM 0 HH11 ARG B 6 4.246 -15.550 -4.204 1.00 1.26 H new ATOM 0 HH12 ARG B 6 4.671 -17.078 -3.425 1.00 1.26 H new ATOM 0 HH21 ARG B 6 6.568 -15.563 -0.912 1.00 1.43 H new ATOM 0 HH22 ARG B 6 5.970 -17.084 -1.584 1.00 1.43 H new ATOM 80 N ARG B 7 2.849 -9.241 -1.213 1.00 0.61 N ATOM 81 CA ARG B 7 1.480 -8.878 -0.788 1.00 0.80 C ATOM 82 C ARG B 7 1.130 -7.501 -1.361 1.00 0.65 C ATOM 83 O ARG B 7 0.000 -7.230 -1.715 1.00 0.56 O ATOM 84 CB ARG B 7 1.549 -8.863 0.742 1.00 1.16 C ATOM 85 CG ARG B 7 0.390 -8.055 1.341 1.00 1.10 C ATOM 86 CD ARG B 7 0.803 -7.521 2.717 1.00 0.92 C ATOM 87 NE ARG B 7 0.647 -6.038 2.622 1.00 0.41 N ATOM 88 CZ ARG B 7 1.546 -5.306 2.015 1.00 0.93 C ATOM 89 NH1 ARG B 7 2.604 -5.855 1.477 1.00 1.61 N ATOM 90 NH2 ARG B 7 1.383 -4.015 1.948 1.00 1.08 N ATOM 0 H ARG B 7 3.506 -9.424 -0.454 1.00 0.61 H new ATOM 0 HA ARG B 7 0.710 -9.566 -1.138 1.00 0.80 H new ATOM 0 HB2 ARG B 7 1.517 -9.885 1.120 1.00 1.16 H new ATOM 0 HB3 ARG B 7 2.499 -8.434 1.062 1.00 1.16 H new ATOM 0 HG2 ARG B 7 0.129 -7.228 0.681 1.00 1.10 H new ATOM 0 HG3 ARG B 7 -0.497 -8.682 1.433 1.00 1.10 H new ATOM 0 HD2 ARG B 7 0.173 -7.934 3.505 1.00 0.92 H new ATOM 0 HD3 ARG B 7 1.831 -7.795 2.954 1.00 0.92 H new ATOM 0 HE ARG B 7 -0.171 -5.590 3.036 1.00 0.41 H new ATOM 0 HH11 ARG B 7 2.736 -6.865 1.528 1.00 1.61 H new ATOM 0 HH12 ARG B 7 3.297 -5.273 1.007 1.00 1.61 H new ATOM 0 HH21 ARG B 7 0.560 -3.583 2.367 1.00 1.08 H new ATOM 0 HH22 ARG B 7 2.079 -3.437 1.477 1.00 1.08 H new ATOM 104 N ARG B 8 2.109 -6.641 -1.471 1.00 0.68 N ATOM 105 CA ARG B 8 1.864 -5.281 -2.043 1.00 0.67 C ATOM 106 C ARG B 8 1.212 -5.427 -3.402 1.00 0.48 C ATOM 107 O ARG B 8 0.288 -4.712 -3.738 1.00 0.50 O ATOM 108 CB ARG B 8 3.253 -4.653 -2.175 1.00 0.77 C ATOM 109 CG ARG B 8 3.145 -3.127 -2.165 1.00 0.73 C ATOM 110 CD ARG B 8 2.972 -2.633 -0.727 1.00 0.73 C ATOM 111 NE ARG B 8 4.159 -3.157 0.012 1.00 0.85 N ATOM 112 CZ ARG B 8 5.346 -2.627 -0.160 1.00 1.05 C ATOM 113 NH1 ARG B 8 5.517 -1.627 -0.984 1.00 1.16 N ATOM 114 NH2 ARG B 8 6.367 -3.103 0.498 1.00 1.43 N ATOM 0 H ARG B 8 3.072 -6.822 -1.188 1.00 0.68 H new ATOM 0 HA ARG B 8 1.206 -4.670 -1.426 1.00 0.67 H new ATOM 0 HB2 ARG B 8 3.890 -4.985 -1.355 1.00 0.77 H new ATOM 0 HB3 ARG B 8 3.724 -4.986 -3.100 1.00 0.77 H new ATOM 0 HG2 ARG B 8 4.039 -2.686 -2.606 1.00 0.73 H new ATOM 0 HG3 ARG B 8 2.299 -2.808 -2.774 1.00 0.73 H new ATOM 0 HD2 ARG B 8 2.932 -1.544 -0.687 1.00 0.73 H new ATOM 0 HD3 ARG B 8 2.043 -3.002 -0.293 1.00 0.73 H new ATOM 0 HE ARG B 8 4.045 -3.937 0.659 1.00 0.85 H new ATOM 0 HH11 ARG B 8 4.722 -1.251 -1.501 1.00 1.16 H new ATOM 0 HH12 ARG B 8 6.445 -1.223 -1.110 1.00 1.16 H new ATOM 0 HH21 ARG B 8 6.240 -3.883 1.142 1.00 1.43 H new ATOM 0 HH22 ARG B 8 7.293 -2.695 0.368 1.00 1.43 H new ATOM 128 N GLU B 9 1.652 -6.377 -4.171 1.00 0.38 N ATOM 129 CA GLU B 9 1.004 -6.591 -5.489 1.00 0.34 C ATOM 130 C GLU B 9 -0.453 -6.936 -5.224 1.00 0.31 C ATOM 131 O GLU B 9 -1.345 -6.555 -5.958 1.00 0.34 O ATOM 132 CB GLU B 9 1.749 -7.756 -6.144 1.00 0.40 C ATOM 133 CG GLU B 9 3.223 -7.384 -6.333 1.00 0.59 C ATOM 134 CD GLU B 9 3.648 -7.683 -7.773 1.00 1.24 C ATOM 135 OE1 GLU B 9 3.890 -8.841 -8.070 1.00 1.73 O ATOM 136 OE2 GLU B 9 3.727 -6.747 -8.552 1.00 1.88 O ATOM 0 H GLU B 9 2.422 -7.008 -3.949 1.00 0.38 H new ATOM 0 HA GLU B 9 1.040 -5.720 -6.143 1.00 0.34 H new ATOM 0 HB2 GLU B 9 1.666 -8.648 -5.524 1.00 0.40 H new ATOM 0 HB3 GLU B 9 1.297 -7.994 -7.107 1.00 0.40 H new ATOM 0 HG2 GLU B 9 3.373 -6.327 -6.111 1.00 0.59 H new ATOM 0 HG3 GLU B 9 3.843 -7.948 -5.636 1.00 0.59 H new ATOM 143 N ARG B 10 -0.697 -7.611 -4.135 1.00 0.31 N ATOM 144 CA ARG B 10 -2.091 -7.934 -3.763 1.00 0.38 C ATOM 145 C ARG B 10 -2.744 -6.670 -3.210 1.00 0.35 C ATOM 146 O ARG B 10 -3.951 -6.580 -3.108 1.00 0.40 O ATOM 147 CB ARG B 10 -1.990 -9.020 -2.687 1.00 0.46 C ATOM 148 CG ARG B 10 -2.646 -10.309 -3.194 1.00 0.73 C ATOM 149 CD ARG B 10 -1.728 -11.500 -2.907 1.00 0.67 C ATOM 150 NE ARG B 10 -2.128 -12.546 -3.896 1.00 1.55 N ATOM 151 CZ ARG B 10 -1.715 -13.783 -3.763 1.00 2.12 C ATOM 152 NH1 ARG B 10 -0.945 -14.128 -2.762 1.00 2.20 N ATOM 153 NH2 ARG B 10 -2.078 -14.680 -4.638 1.00 3.14 N ATOM 0 H ARG B 10 0.015 -7.951 -3.489 1.00 0.31 H new ATOM 0 HA ARG B 10 -2.691 -8.283 -4.603 1.00 0.38 H new ATOM 0 HB2 ARG B 10 -0.945 -9.205 -2.440 1.00 0.46 H new ATOM 0 HB3 ARG B 10 -2.480 -8.686 -1.772 1.00 0.46 H new ATOM 0 HG2 ARG B 10 -3.610 -10.454 -2.707 1.00 0.73 H new ATOM 0 HG3 ARG B 10 -2.838 -10.235 -4.264 1.00 0.73 H new ATOM 0 HD2 ARG B 10 -0.679 -11.227 -3.024 1.00 0.67 H new ATOM 0 HD3 ARG B 10 -1.852 -11.856 -1.884 1.00 0.67 H new ATOM 0 HE ARG B 10 -2.728 -12.295 -4.682 1.00 1.55 H new ATOM 0 HH11 ARG B 10 -0.660 -13.431 -2.074 1.00 2.20 H new ATOM 0 HH12 ARG B 10 -0.630 -15.094 -2.670 1.00 2.20 H new ATOM 0 HH21 ARG B 10 -2.679 -14.417 -5.419 1.00 3.14 H new ATOM 0 HH22 ARG B 10 -1.761 -15.645 -4.541 1.00 3.14 H new ATOM 167 N ARG B 11 -1.951 -5.676 -2.876 1.00 0.29 N ATOM 168 CA ARG B 11 -2.541 -4.417 -2.364 1.00 0.29 C ATOM 169 C ARG B 11 -2.798 -3.459 -3.520 1.00 0.24 C ATOM 170 O ARG B 11 -3.281 -2.368 -3.318 1.00 0.25 O ATOM 171 CB ARG B 11 -1.511 -3.812 -1.413 1.00 0.32 C ATOM 172 CG ARG B 11 -1.310 -4.704 -0.179 1.00 0.41 C ATOM 173 CD ARG B 11 -2.658 -5.007 0.489 1.00 0.55 C ATOM 174 NE ARG B 11 -2.738 -6.498 0.528 1.00 1.59 N ATOM 175 CZ ARG B 11 -3.840 -7.100 0.902 1.00 2.18 C ATOM 176 NH1 ARG B 11 -4.896 -6.409 1.250 1.00 1.76 N ATOM 177 NH2 ARG B 11 -3.887 -8.404 0.928 1.00 3.24 N ATOM 0 H ARG B 11 -0.933 -5.691 -2.938 1.00 0.29 H new ATOM 0 HA ARG B 11 -3.489 -4.601 -1.859 1.00 0.29 H new ATOM 0 HB2 ARG B 11 -0.561 -3.685 -1.933 1.00 0.32 H new ATOM 0 HB3 ARG B 11 -1.838 -2.820 -1.100 1.00 0.32 H new ATOM 0 HG2 ARG B 11 -0.824 -5.635 -0.471 1.00 0.41 H new ATOM 0 HG3 ARG B 11 -0.648 -4.209 0.532 1.00 0.41 H new ATOM 0 HD2 ARG B 11 -2.707 -4.582 1.491 1.00 0.55 H new ATOM 0 HD3 ARG B 11 -3.485 -4.581 -0.079 1.00 0.55 H new ATOM 0 HE ARG B 11 -1.926 -7.054 0.260 1.00 1.59 H new ATOM 0 HH11 ARG B 11 -4.867 -5.390 1.232 1.00 1.76 H new ATOM 0 HH12 ARG B 11 -5.748 -6.890 1.539 1.00 1.76 H new ATOM 0 HH21 ARG B 11 -3.068 -8.949 0.658 1.00 3.24 H new ATOM 0 HH22 ARG B 11 -4.742 -8.878 1.218 1.00 3.24 H new ATOM 191 N ALA B 12 -2.498 -3.852 -4.737 1.00 0.24 N ATOM 192 CA ALA B 12 -2.769 -2.934 -5.885 1.00 0.28 C ATOM 193 C ALA B 12 -4.230 -2.496 -5.816 1.00 0.31 C ATOM 194 O ALA B 12 -4.594 -1.423 -6.253 1.00 0.33 O ATOM 195 CB ALA B 12 -2.503 -3.764 -7.140 1.00 0.34 C ATOM 0 H ALA B 12 -2.085 -4.752 -4.980 1.00 0.24 H new ATOM 0 HA ALA B 12 -2.149 -2.037 -5.877 1.00 0.28 H new ATOM 0 HB1 ALA B 12 -2.682 -3.153 -8.025 1.00 0.34 H new ATOM 0 HB2 ALA B 12 -1.468 -4.105 -7.138 1.00 0.34 H new ATOM 0 HB3 ALA B 12 -3.169 -4.627 -7.154 1.00 0.34 H new ATOM 201 N GLU B 13 -5.063 -3.315 -5.225 1.00 0.34 N ATOM 202 CA GLU B 13 -6.491 -2.943 -5.074 1.00 0.41 C ATOM 203 C GLU B 13 -6.598 -1.922 -3.943 1.00 0.38 C ATOM 204 O GLU B 13 -7.405 -1.015 -3.984 1.00 0.42 O ATOM 205 CB GLU B 13 -7.218 -4.240 -4.715 1.00 0.48 C ATOM 206 CG GLU B 13 -7.090 -5.237 -5.871 1.00 0.52 C ATOM 207 CD GLU B 13 -6.263 -6.444 -5.421 1.00 0.77 C ATOM 208 OE1 GLU B 13 -6.467 -6.895 -4.307 1.00 1.15 O ATOM 209 OE2 GLU B 13 -5.441 -6.898 -6.201 1.00 1.18 O ATOM 0 H GLU B 13 -4.809 -4.226 -4.842 1.00 0.34 H new ATOM 0 HA GLU B 13 -6.920 -2.500 -5.973 1.00 0.41 H new ATOM 0 HB2 GLU B 13 -6.795 -4.666 -3.805 1.00 0.48 H new ATOM 0 HB3 GLU B 13 -8.269 -4.036 -4.512 1.00 0.48 H new ATOM 0 HG2 GLU B 13 -8.079 -5.562 -6.195 1.00 0.52 H new ATOM 0 HG3 GLU B 13 -6.615 -4.757 -6.727 1.00 0.52 H new ATOM 216 N LYS B 14 -5.751 -2.043 -2.951 1.00 0.33 N ATOM 217 CA LYS B 14 -5.763 -1.057 -1.841 1.00 0.33 C ATOM 218 C LYS B 14 -5.026 0.189 -2.326 1.00 0.28 C ATOM 219 O LYS B 14 -5.363 1.310 -2.000 1.00 0.30 O ATOM 220 CB LYS B 14 -4.998 -1.733 -0.695 1.00 0.31 C ATOM 221 CG LYS B 14 -5.669 -3.060 -0.329 1.00 0.38 C ATOM 222 CD LYS B 14 -7.026 -2.786 0.325 1.00 1.23 C ATOM 223 CE LYS B 14 -7.852 -4.077 0.350 1.00 1.37 C ATOM 224 NZ LYS B 14 -9.184 -3.697 -0.200 1.00 1.83 N ATOM 0 H LYS B 14 -5.054 -2.783 -2.867 1.00 0.33 H new ATOM 0 HA LYS B 14 -6.763 -0.766 -1.519 1.00 0.33 H new ATOM 0 HB2 LYS B 14 -3.964 -1.908 -0.991 1.00 0.31 H new ATOM 0 HB3 LYS B 14 -4.974 -1.076 0.175 1.00 0.31 H new ATOM 0 HG2 LYS B 14 -5.801 -3.671 -1.222 1.00 0.38 H new ATOM 0 HG3 LYS B 14 -5.033 -3.625 0.352 1.00 0.38 H new ATOM 0 HD2 LYS B 14 -6.884 -2.413 1.339 1.00 1.23 H new ATOM 0 HD3 LYS B 14 -7.558 -2.012 -0.228 1.00 1.23 H new ATOM 0 HE2 LYS B 14 -7.384 -4.856 -0.252 1.00 1.37 H new ATOM 0 HE3 LYS B 14 -7.941 -4.468 1.363 1.00 1.37 H new ATOM 0 HZ1 LYS B 14 -9.805 -4.531 -0.214 1.00 1.83 H new ATOM 0 HZ2 LYS B 14 -9.609 -2.959 0.398 1.00 1.83 H new ATOM 0 HZ3 LYS B 14 -9.069 -3.335 -1.168 1.00 1.83 H new ATOM 238 N GLN B 15 -4.026 -0.031 -3.131 1.00 0.25 N ATOM 239 CA GLN B 15 -3.230 1.081 -3.704 1.00 0.24 C ATOM 240 C GLN B 15 -4.047 1.812 -4.760 1.00 0.28 C ATOM 241 O GLN B 15 -4.159 3.016 -4.745 1.00 0.28 O ATOM 242 CB GLN B 15 -2.029 0.379 -4.350 1.00 0.24 C ATOM 243 CG GLN B 15 -0.778 0.635 -3.519 1.00 0.25 C ATOM 244 CD GLN B 15 0.187 -0.536 -3.685 1.00 0.30 C ATOM 245 OE1 GLN B 15 -0.134 -1.693 -3.177 1.00 0.35 O flip ATOM 246 NE2 GLN B 15 1.238 -0.400 -4.278 1.00 0.33 N flip ATOM 0 H GLN B 15 -3.722 -0.960 -3.421 1.00 0.25 H new ATOM 0 HA GLN B 15 -2.934 1.822 -2.962 1.00 0.24 H new ATOM 0 HB2 GLN B 15 -2.217 -0.692 -4.422 1.00 0.24 H new ATOM 0 HB3 GLN B 15 -1.884 0.746 -5.366 1.00 0.24 H new ATOM 0 HG2 GLN B 15 -0.301 1.562 -3.836 1.00 0.25 H new ATOM 0 HG3 GLN B 15 -1.044 0.756 -2.469 1.00 0.25 H new ATOM 0 HE21 GLN B 15 1.486 0.506 -4.674 1.00 0.33 H new ATOM 0 HE22 GLN B 15 1.872 -1.192 -4.380 1.00 0.33 H new ATOM 255 N ALA B 16 -4.621 1.091 -5.677 1.00 0.35 N ATOM 256 CA ALA B 16 -5.436 1.753 -6.733 1.00 0.41 C ATOM 257 C ALA B 16 -6.658 2.409 -6.098 1.00 0.40 C ATOM 258 O ALA B 16 -7.177 3.387 -6.602 1.00 0.43 O ATOM 259 CB ALA B 16 -5.851 0.634 -7.690 1.00 0.48 C ATOM 0 H ALA B 16 -4.563 0.075 -5.743 1.00 0.35 H new ATOM 0 HA ALA B 16 -4.886 2.535 -7.257 1.00 0.41 H new ATOM 0 HB1 ALA B 16 -6.456 1.050 -8.496 1.00 0.48 H new ATOM 0 HB2 ALA B 16 -4.961 0.165 -8.110 1.00 0.48 H new ATOM 0 HB3 ALA B 16 -6.432 -0.112 -7.148 1.00 0.48 H new ATOM 265 N GLN B 17 -7.107 1.903 -4.980 1.00 0.40 N ATOM 266 CA GLN B 17 -8.275 2.533 -4.312 1.00 0.42 C ATOM 267 C GLN B 17 -7.781 3.752 -3.547 1.00 0.37 C ATOM 268 O GLN B 17 -8.438 4.771 -3.474 1.00 0.40 O ATOM 269 CB GLN B 17 -8.821 1.468 -3.363 1.00 0.45 C ATOM 270 CG GLN B 17 -9.732 0.514 -4.138 1.00 0.53 C ATOM 271 CD GLN B 17 -11.059 1.212 -4.446 1.00 0.66 C ATOM 272 OE1 GLN B 17 -11.402 1.411 -5.595 1.00 1.06 O ATOM 273 NE2 GLN B 17 -11.824 1.595 -3.461 1.00 1.33 N ATOM 0 H GLN B 17 -6.717 1.088 -4.507 1.00 0.40 H new ATOM 0 HA GLN B 17 -9.049 2.862 -5.005 1.00 0.42 H new ATOM 0 HB2 GLN B 17 -7.999 0.915 -2.909 1.00 0.45 H new ATOM 0 HB3 GLN B 17 -9.376 1.939 -2.551 1.00 0.45 H new ATOM 0 HG2 GLN B 17 -9.248 0.205 -5.064 1.00 0.53 H new ATOM 0 HG3 GLN B 17 -9.911 -0.389 -3.555 1.00 0.53 H new ATOM 0 HE21 GLN B 17 -11.536 1.428 -2.497 1.00 1.33 H new ATOM 0 HE22 GLN B 17 -12.710 2.061 -3.655 1.00 1.33 H new ATOM 282 N TRP B 18 -6.600 3.654 -3.011 1.00 0.32 N ATOM 283 CA TRP B 18 -6.009 4.803 -2.282 1.00 0.30 C ATOM 284 C TRP B 18 -5.474 5.802 -3.300 1.00 0.31 C ATOM 285 O TRP B 18 -5.692 6.995 -3.211 1.00 0.35 O ATOM 286 CB TRP B 18 -4.842 4.211 -1.494 1.00 0.25 C ATOM 287 CG TRP B 18 -4.058 5.331 -0.894 1.00 0.24 C ATOM 288 CD1 TRP B 18 -4.184 5.818 0.359 1.00 0.30 C ATOM 289 CD2 TRP B 18 -3.036 6.121 -1.534 1.00 0.24 C ATOM 290 NE1 TRP B 18 -3.297 6.875 0.512 1.00 0.31 N ATOM 291 CE2 TRP B 18 -2.564 7.089 -0.631 1.00 0.29 C ATOM 292 CE3 TRP B 18 -2.480 6.078 -2.808 1.00 0.28 C ATOM 293 CZ2 TRP B 18 -1.568 7.992 -0.996 1.00 0.34 C ATOM 294 CZ3 TRP B 18 -1.489 6.967 -3.179 1.00 0.36 C ATOM 295 CH2 TRP B 18 -1.032 7.924 -2.285 1.00 0.38 C ATOM 0 H TRP B 18 -6.015 2.819 -3.048 1.00 0.32 H new ATOM 0 HA TRP B 18 -6.727 5.310 -1.637 1.00 0.30 H new ATOM 0 HB2 TRP B 18 -5.211 3.546 -0.713 1.00 0.25 H new ATOM 0 HB3 TRP B 18 -4.208 3.613 -2.148 1.00 0.25 H new ATOM 0 HD1 TRP B 18 -4.861 5.448 1.115 1.00 0.30 H new ATOM 0 HE1 TRP B 18 -3.201 7.424 1.366 1.00 0.31 H new ATOM 0 HE3 TRP B 18 -2.827 5.340 -3.517 1.00 0.28 H new ATOM 0 HZ2 TRP B 18 -1.216 8.733 -0.294 1.00 0.34 H new ATOM 0 HZ3 TRP B 18 -1.067 6.916 -4.172 1.00 0.36 H new ATOM 0 HH2 TRP B 18 -0.261 8.618 -2.585 1.00 0.38 H new ATOM 306 N LYS B 19 -4.769 5.301 -4.267 1.00 0.30 N ATOM 307 CA LYS B 19 -4.189 6.172 -5.320 1.00 0.37 C ATOM 308 C LYS B 19 -5.321 6.884 -6.029 1.00 0.46 C ATOM 309 O LYS B 19 -5.204 8.025 -6.431 1.00 0.70 O ATOM 310 CB LYS B 19 -3.465 5.228 -6.283 1.00 0.40 C ATOM 311 CG LYS B 19 -2.134 4.772 -5.681 1.00 0.49 C ATOM 312 CD LYS B 19 -1.316 4.039 -6.746 1.00 0.96 C ATOM 313 CE LYS B 19 -0.462 5.049 -7.515 1.00 1.30 C ATOM 314 NZ LYS B 19 0.254 4.243 -8.541 1.00 1.92 N ATOM 0 H LYS B 19 -4.566 4.307 -4.375 1.00 0.30 H new ATOM 0 HA LYS B 19 -3.507 6.923 -4.922 1.00 0.37 H new ATOM 0 HB2 LYS B 19 -4.092 4.362 -6.494 1.00 0.40 H new ATOM 0 HB3 LYS B 19 -3.288 5.732 -7.233 1.00 0.40 H new ATOM 0 HG2 LYS B 19 -1.578 5.632 -5.308 1.00 0.49 H new ATOM 0 HG3 LYS B 19 -2.314 4.115 -4.830 1.00 0.49 H new ATOM 0 HD2 LYS B 19 -0.679 3.289 -6.278 1.00 0.96 H new ATOM 0 HD3 LYS B 19 -1.980 3.511 -7.431 1.00 0.96 H new ATOM 0 HE2 LYS B 19 -1.081 5.818 -7.978 1.00 1.30 H new ATOM 0 HE3 LYS B 19 0.239 5.559 -6.854 1.00 1.30 H new ATOM 0 HZ1 LYS B 19 0.862 4.866 -9.110 1.00 1.92 H new ATOM 0 HZ2 LYS B 19 0.840 3.524 -8.071 1.00 1.92 H new ATOM 0 HZ3 LYS B 19 -0.438 3.775 -9.160 1.00 1.92 H new ATOM 328 N ALA B 20 -6.429 6.214 -6.169 1.00 0.44 N ATOM 329 CA ALA B 20 -7.582 6.852 -6.838 1.00 0.52 C ATOM 330 C ALA B 20 -8.009 8.095 -6.056 1.00 0.56 C ATOM 331 O ALA B 20 -8.599 9.010 -6.596 1.00 0.74 O ATOM 332 CB ALA B 20 -8.690 5.806 -6.819 1.00 0.55 C ATOM 0 H ALA B 20 -6.581 5.257 -5.849 1.00 0.44 H new ATOM 0 HA ALA B 20 -7.347 7.170 -7.854 1.00 0.52 H new ATOM 0 HB1 ALA B 20 -9.580 6.210 -7.300 1.00 0.55 H new ATOM 0 HB2 ALA B 20 -8.360 4.916 -7.355 1.00 0.55 H new ATOM 0 HB3 ALA B 20 -8.923 5.542 -5.788 1.00 0.55 H new ATOM 338 N ALA B 21 -7.715 8.130 -4.781 1.00 0.54 N ATOM 339 CA ALA B 21 -8.104 9.310 -3.962 1.00 0.66 C ATOM 340 C ALA B 21 -6.896 9.881 -3.228 1.00 0.73 C ATOM 341 O ALA B 21 -7.020 10.539 -2.213 1.00 0.99 O ATOM 342 CB ALA B 21 -9.147 8.787 -2.977 1.00 0.71 C ATOM 0 H ALA B 21 -7.224 7.393 -4.276 1.00 0.54 H new ATOM 0 HA ALA B 21 -8.499 10.120 -4.575 1.00 0.66 H new ATOM 0 HB1 ALA B 21 -9.483 9.602 -2.336 1.00 0.71 H new ATOM 0 HB2 ALA B 21 -9.997 8.384 -3.527 1.00 0.71 H new ATOM 0 HB3 ALA B 21 -8.706 8.001 -2.363 1.00 0.71 H new ATOM 348 N ASN B 22 -5.735 9.659 -3.760 1.00 0.73 N ATOM 349 CA ASN B 22 -4.494 10.208 -3.131 1.00 0.88 C ATOM 350 C ASN B 22 -3.386 10.406 -4.178 1.00 1.08 C ATOM 351 O ASN B 22 -2.252 10.033 -3.957 1.00 0.00 O ATOM 352 CB ASN B 22 -4.056 9.183 -2.096 1.00 0.93 C ATOM 353 CG ASN B 22 -5.118 9.056 -1.007 1.00 0.94 C ATOM 354 OD1 ASN B 22 -5.678 7.902 -0.811 1.00 1.13 O flip ATOM 355 ND2 ASN B 22 -5.436 10.014 -0.330 1.00 0.94 N flip ATOM 0 H ASN B 22 -5.583 9.117 -4.611 1.00 0.73 H new ATOM 0 HA ASN B 22 -4.685 11.182 -2.681 1.00 0.88 H new ATOM 0 HB2 ASN B 22 -3.896 8.217 -2.574 1.00 0.93 H new ATOM 0 HB3 ASN B 22 -3.105 9.482 -1.655 1.00 0.93 H new ATOM 0 HD21 ASN B 22 -4.993 10.919 -0.487 1.00 0.94 H new ATOM 0 HD22 ASN B 22 -6.146 9.913 0.396 1.00 0.94 H new ATOM 362 N PRO B 23 -3.749 11.020 -5.273 1.00 0.00 N ATOM 363 CA PRO B 23 -2.779 11.309 -6.346 1.00 0.00 C ATOM 364 C PRO B 23 -1.900 12.458 -5.871 1.00 0.00 C ATOM 365 O PRO B 23 -0.747 12.571 -6.221 1.00 0.00 O ATOM 366 CB PRO B 23 -3.648 11.720 -7.529 1.00 0.00 C ATOM 367 CG PRO B 23 -4.916 12.216 -6.917 1.00 0.00 C ATOM 368 CD PRO B 23 -5.078 11.503 -5.598 1.00 0.00 C ATOM 0 HA PRO B 23 -2.126 10.477 -6.610 1.00 0.00 H new ATOM 0 HB2 PRO B 23 -3.166 12.496 -8.123 1.00 0.00 H new ATOM 0 HB3 PRO B 23 -3.833 10.877 -8.195 1.00 0.00 H new ATOM 0 HG2 PRO B 23 -4.877 13.295 -6.770 1.00 0.00 H new ATOM 0 HG3 PRO B 23 -5.764 12.014 -7.571 1.00 0.00 H new ATOM 0 HD2 PRO B 23 -5.454 12.176 -4.828 1.00 0.00 H new ATOM 0 HD3 PRO B 23 -5.789 10.681 -5.677 1.00 0.00 H new ATOM 376 N LEU B 24 -2.452 13.296 -5.035 1.00 0.00 N ATOM 377 CA LEU B 24 -1.674 14.434 -4.474 1.00 0.00 C ATOM 378 C LEU B 24 -0.388 13.896 -3.854 1.00 0.00 C ATOM 379 O LEU B 24 0.646 14.533 -3.857 1.00 0.00 O ATOM 380 CB LEU B 24 -2.602 15.035 -3.398 1.00 0.00 C ATOM 381 CG LEU B 24 -2.417 14.329 -2.030 1.00 0.00 C ATOM 382 CD1 LEU B 24 -3.122 15.150 -0.950 1.00 0.00 C ATOM 383 CD2 LEU B 24 -3.020 12.905 -2.048 1.00 0.00 C ATOM 0 H LEU B 24 -3.419 13.238 -4.715 1.00 0.00 H new ATOM 0 HA LEU B 24 -1.386 15.178 -5.217 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -2.394 16.100 -3.290 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -3.640 14.943 -3.719 1.00 0.00 H new ATOM 0 HG LEU B 24 -1.350 14.250 -1.824 1.00 0.00 H new ATOM 0 HD11 LEU B 24 -2.998 14.662 0.017 1.00 0.00 H new ATOM 0 HD12 LEU B 24 -2.688 16.149 -0.911 1.00 0.00 H new ATOM 0 HD13 LEU B 24 -4.184 15.225 -1.185 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -2.874 12.436 -1.075 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -4.086 12.964 -2.267 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -2.525 12.310 -2.815 1.00 0.00 H new ATOM 395 N LEU B 25 -0.465 12.705 -3.348 1.00 0.00 N ATOM 396 CA LEU B 25 0.716 12.054 -2.746 1.00 0.00 C ATOM 397 C LEU B 25 1.168 10.977 -3.723 1.00 0.00 C ATOM 398 O LEU B 25 1.640 9.920 -3.363 1.00 0.00 O ATOM 399 CB LEU B 25 0.176 11.466 -1.439 1.00 0.00 C ATOM 400 CG LEU B 25 1.302 10.898 -0.559 1.00 0.00 C ATOM 401 CD1 LEU B 25 1.322 9.381 -0.698 1.00 0.00 C ATOM 402 CD2 LEU B 25 2.667 11.464 -0.970 1.00 0.00 C ATOM 0 H LEU B 25 -1.317 12.145 -3.327 1.00 0.00 H new ATOM 0 HA LEU B 25 1.570 12.703 -2.551 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -0.361 12.238 -0.888 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -0.542 10.677 -1.665 1.00 0.00 H new ATOM 0 HG LEU B 25 1.112 11.184 0.476 1.00 0.00 H new ATOM 0 HD11 LEU B 25 2.118 8.969 -0.077 1.00 0.00 H new ATOM 0 HD12 LEU B 25 0.363 8.974 -0.377 1.00 0.00 H new ATOM 0 HD13 LEU B 25 1.499 9.113 -1.740 1.00 0.00 H new ATOM 0 HD21 LEU B 25 3.443 11.044 -0.330 1.00 0.00 H new ATOM 0 HD22 LEU B 25 2.872 11.202 -2.008 1.00 0.00 H new ATOM 0 HD23 LEU B 25 2.658 12.549 -0.865 1.00 0.00 H new ATOM 414 N VAL B 26 0.980 11.266 -4.973 1.00 0.00 N ATOM 415 CA VAL B 26 1.330 10.316 -6.052 1.00 0.00 C ATOM 416 C VAL B 26 1.627 11.117 -7.324 1.00 0.00 C ATOM 417 O VAL B 26 0.812 11.899 -7.772 1.00 0.00 O ATOM 418 CB VAL B 26 0.056 9.462 -6.197 1.00 0.00 C ATOM 419 CG1 VAL B 26 -0.389 9.409 -7.661 1.00 0.00 C ATOM 420 CG2 VAL B 26 0.341 8.047 -5.693 1.00 0.00 C ATOM 0 H VAL B 26 0.586 12.148 -5.300 1.00 0.00 H new ATOM 0 HA VAL B 26 2.207 9.700 -5.855 1.00 0.00 H new ATOM 0 HB VAL B 26 -0.744 9.911 -5.608 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -1.290 8.802 -7.746 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -0.597 10.419 -8.015 1.00 0.00 H new ATOM 0 HG13 VAL B 26 0.403 8.969 -8.266 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -0.557 7.437 -5.793 1.00 0.00 H new ATOM 0 HG22 VAL B 26 1.146 7.606 -6.281 1.00 0.00 H new ATOM 0 HG23 VAL B 26 0.638 8.087 -4.645 1.00 0.00 H new ATOM 430 N GLY B 27 2.785 10.968 -7.897 1.00 0.00 N ATOM 431 CA GLY B 27 3.104 11.770 -9.113 1.00 0.00 C ATOM 432 C GLY B 27 3.439 13.191 -8.656 1.00 0.00 C ATOM 433 O GLY B 27 4.492 13.721 -8.957 1.00 0.00 O ATOM 0 H GLY B 27 3.519 10.334 -7.583 1.00 0.00 H new ATOM 0 HA2 GLY B 27 3.945 11.332 -9.650 1.00 0.00 H new ATOM 0 HA3 GLY B 27 2.257 11.778 -9.799 1.00 0.00 H new ATOM 437 N VAL B 28 2.557 13.797 -7.893 1.00 0.00 N ATOM 438 CA VAL B 28 2.820 15.169 -7.363 1.00 0.00 C ATOM 439 C VAL B 28 4.196 15.176 -6.686 1.00 0.00 C ATOM 440 O VAL B 28 4.825 14.144 -6.555 1.00 0.00 O ATOM 441 CB VAL B 28 1.696 15.397 -6.340 1.00 0.00 C ATOM 442 CG1 VAL B 28 2.113 16.440 -5.295 1.00 0.00 C ATOM 443 CG2 VAL B 28 0.447 15.892 -7.070 1.00 0.00 C ATOM 0 H VAL B 28 1.662 13.395 -7.615 1.00 0.00 H new ATOM 0 HA VAL B 28 2.830 15.946 -8.127 1.00 0.00 H new ATOM 0 HB VAL B 28 1.491 14.455 -5.831 1.00 0.00 H new ATOM 0 HG11 VAL B 28 1.302 16.585 -4.582 1.00 0.00 H new ATOM 0 HG12 VAL B 28 3.002 16.092 -4.768 1.00 0.00 H new ATOM 0 HG13 VAL B 28 2.332 17.385 -5.792 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -0.355 16.056 -6.350 1.00 0.00 H new ATOM 0 HG22 VAL B 28 0.672 16.828 -7.582 1.00 0.00 H new ATOM 0 HG23 VAL B 28 0.132 15.146 -7.800 1.00 0.00 H new ATOM 453 N SER B 29 4.673 16.307 -6.244 1.00 0.00 N ATOM 454 CA SER B 29 6.000 16.326 -5.568 1.00 0.00 C ATOM 455 C SER B 29 5.898 15.668 -4.185 1.00 0.00 C ATOM 456 O SER B 29 6.291 16.242 -3.190 1.00 0.00 O ATOM 457 CB SER B 29 6.369 17.804 -5.442 1.00 0.00 C ATOM 458 OG SER B 29 7.721 17.985 -5.840 1.00 0.00 O ATOM 0 H SER B 29 4.206 17.211 -6.321 1.00 0.00 H new ATOM 0 HA SER B 29 6.755 15.772 -6.126 1.00 0.00 H new ATOM 0 HB2 SER B 29 5.710 18.410 -6.064 1.00 0.00 H new ATOM 0 HB3 SER B 29 6.232 18.139 -4.414 1.00 0.00 H new ATOM 0 HG SER B 29 7.961 18.932 -5.762 1.00 0.00 H new ATOM 464 N ALA B 30 5.370 14.463 -4.127 1.00 0.00 N ATOM 465 CA ALA B 30 5.222 13.731 -2.825 1.00 0.00 C ATOM 466 C ALA B 30 5.048 14.707 -1.657 1.00 0.00 C ATOM 467 O ALA B 30 5.824 14.722 -0.722 1.00 0.00 O ATOM 468 CB ALA B 30 6.507 12.921 -2.677 1.00 0.00 C ATOM 0 H ALA B 30 5.031 13.950 -4.940 1.00 0.00 H new ATOM 0 HA ALA B 30 4.337 13.095 -2.816 1.00 0.00 H new ATOM 0 HB1 ALA B 30 6.476 12.356 -1.746 1.00 0.00 H new ATOM 0 HB2 ALA B 30 6.602 12.232 -3.516 1.00 0.00 H new ATOM 0 HB3 ALA B 30 7.363 13.596 -2.663 1.00 0.00 H new ATOM 474 N LYS B 31 4.034 15.525 -1.716 1.00 0.00 N ATOM 475 CA LYS B 31 3.797 16.513 -0.625 1.00 0.00 C ATOM 476 C LYS B 31 2.291 16.685 -0.385 1.00 0.00 C ATOM 477 O LYS B 31 1.578 17.135 -1.260 1.00 0.00 O ATOM 478 CB LYS B 31 4.416 17.821 -1.129 1.00 0.00 C ATOM 479 CG LYS B 31 3.837 18.178 -2.505 1.00 0.00 C ATOM 480 CD LYS B 31 2.997 19.453 -2.397 1.00 0.00 C ATOM 481 CE LYS B 31 1.868 19.408 -3.430 1.00 0.00 C ATOM 482 NZ LYS B 31 1.195 20.732 -3.320 1.00 0.00 N ATOM 0 H LYS B 31 3.355 15.552 -2.477 1.00 0.00 H new ATOM 0 HA LYS B 31 4.235 16.196 0.321 1.00 0.00 H new ATOM 0 HB2 LYS B 31 4.215 18.625 -0.421 1.00 0.00 H new ATOM 0 HB3 LYS B 31 5.499 17.719 -1.196 1.00 0.00 H new ATOM 0 HG2 LYS B 31 4.644 18.323 -3.223 1.00 0.00 H new ATOM 0 HG3 LYS B 31 3.223 17.357 -2.876 1.00 0.00 H new ATOM 0 HD2 LYS B 31 2.583 19.545 -1.393 1.00 0.00 H new ATOM 0 HD3 LYS B 31 3.623 20.329 -2.564 1.00 0.00 H new ATOM 0 HE2 LYS B 31 2.258 19.245 -4.435 1.00 0.00 H new ATOM 0 HE3 LYS B 31 1.174 18.594 -3.222 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 0.408 20.779 -3.998 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 0.828 20.856 -2.355 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 1.878 21.487 -3.530 1.00 0.00 H new ATOM 496 N PRO B 32 1.851 16.319 0.794 1.00 0.00 N ATOM 497 CA PRO B 32 0.410 16.441 1.135 1.00 0.00 C ATOM 498 C PRO B 32 0.023 17.912 1.294 1.00 0.00 C ATOM 499 O PRO B 32 0.824 18.734 1.697 1.00 0.00 O ATOM 500 CB PRO B 32 0.290 15.697 2.462 1.00 0.00 C ATOM 501 CG PRO B 32 1.658 15.751 3.059 1.00 0.00 C ATOM 502 CD PRO B 32 2.633 15.768 1.911 1.00 0.00 C ATOM 0 HA PRO B 32 -0.249 16.036 0.367 1.00 0.00 H new ATOM 0 HB2 PRO B 32 -0.445 16.169 3.114 1.00 0.00 H new ATOM 0 HB3 PRO B 32 -0.034 14.667 2.310 1.00 0.00 H new ATOM 0 HG2 PRO B 32 1.775 16.640 3.679 1.00 0.00 H new ATOM 0 HG3 PRO B 32 1.833 14.889 3.703 1.00 0.00 H new ATOM 0 HD2 PRO B 32 3.502 16.386 2.134 1.00 0.00 H new ATOM 0 HD3 PRO B 32 3.003 14.768 1.685 1.00 0.00 H new ATOM 510 N VAL B 33 -1.198 18.252 0.980 1.00 0.00 N ATOM 511 CA VAL B 33 -1.635 19.673 1.113 1.00 0.00 C ATOM 512 C VAL B 33 -3.131 19.740 1.438 1.00 0.00 C ATOM 513 O VAL B 33 -3.894 18.864 1.082 1.00 0.00 O ATOM 514 CB VAL B 33 -1.347 20.304 -0.252 1.00 0.00 C ATOM 515 CG1 VAL B 33 -2.154 19.588 -1.339 1.00 0.00 C ATOM 516 CG2 VAL B 33 -1.736 21.784 -0.221 1.00 0.00 C ATOM 0 H VAL B 33 -1.912 17.609 0.637 1.00 0.00 H new ATOM 0 HA VAL B 33 -1.116 20.193 1.918 1.00 0.00 H new ATOM 0 HB VAL B 33 -0.284 20.208 -0.474 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -1.944 20.043 -2.307 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -1.875 18.535 -1.365 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -3.218 19.677 -1.120 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -1.531 22.234 -1.192 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -2.798 21.876 0.005 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -1.156 22.297 0.546 1.00 0.00 H new ATOM 526 N ASN B 34 -3.553 20.779 2.108 1.00 0.00 N ATOM 527 CA ASN B 34 -4.998 20.910 2.454 1.00 0.00 C ATOM 528 C ASN B 34 -5.779 21.434 1.245 1.00 0.00 C ATOM 529 O ASN B 34 -5.868 22.625 1.022 1.00 0.00 O ATOM 530 CB ASN B 34 -5.042 21.920 3.602 1.00 0.00 C ATOM 531 CG ASN B 34 -5.119 21.177 4.937 1.00 0.00 C ATOM 532 OD1 ASN B 34 -5.706 20.116 5.022 1.00 0.00 O ATOM 533 ND2 ASN B 34 -4.547 21.691 5.991 1.00 0.00 N ATOM 0 H ASN B 34 -2.959 21.543 2.431 1.00 0.00 H new ATOM 0 HA ASN B 34 -5.446 19.957 2.736 1.00 0.00 H new ATOM 0 HB2 ASN B 34 -4.155 22.553 3.577 1.00 0.00 H new ATOM 0 HB3 ASN B 34 -5.905 22.576 3.489 1.00 0.00 H new ATOM 0 HD21 ASN B 34 -4.593 21.203 6.885 1.00 0.00 H new ATOM 0 HD22 ASN B 34 -4.054 22.581 5.921 1.00 0.00 H new ATOM 540 N ARG B 35 -6.339 20.550 0.461 1.00 0.00 N ATOM 541 CA ARG B 35 -7.111 20.993 -0.737 1.00 0.00 C ATOM 542 C ARG B 35 -8.597 21.148 -0.384 1.00 0.00 C ATOM 543 O ARG B 35 -9.280 20.169 -0.157 1.00 0.00 O ATOM 544 CB ARG B 35 -6.920 19.876 -1.765 1.00 0.00 C ATOM 545 CG ARG B 35 -5.429 19.711 -2.076 1.00 0.00 C ATOM 546 CD ARG B 35 -5.217 19.696 -3.593 1.00 0.00 C ATOM 547 NE ARG B 35 -5.623 21.056 -4.055 1.00 0.00 N ATOM 548 CZ ARG B 35 -5.378 21.444 -5.285 1.00 0.00 C ATOM 549 NH1 ARG B 35 -4.775 20.647 -6.129 1.00 0.00 N ATOM 550 NH2 ARG B 35 -5.741 22.637 -5.668 1.00 0.00 N ATOM 0 H ARG B 35 -6.295 19.540 0.599 1.00 0.00 H new ATOM 0 HA ARG B 35 -6.771 21.958 -1.113 1.00 0.00 H new ATOM 0 HB2 ARG B 35 -7.327 18.941 -1.380 1.00 0.00 H new ATOM 0 HB3 ARG B 35 -7.468 20.111 -2.678 1.00 0.00 H new ATOM 0 HG2 ARG B 35 -4.862 20.527 -1.628 1.00 0.00 H new ATOM 0 HG3 ARG B 35 -5.056 18.785 -1.638 1.00 0.00 H new ATOM 0 HD2 ARG B 35 -4.177 19.489 -3.844 1.00 0.00 H new ATOM 0 HD3 ARG B 35 -5.820 18.922 -4.068 1.00 0.00 H new ATOM 0 HE ARG B 35 -6.095 21.689 -3.410 1.00 0.00 H new ATOM 0 HH11 ARG B 35 -4.490 19.713 -5.834 1.00 0.00 H new ATOM 0 HH12 ARG B 35 -4.590 20.959 -7.082 1.00 0.00 H new ATOM 0 HH21 ARG B 35 -6.212 23.262 -5.013 1.00 0.00 H new ATOM 0 HH22 ARG B 35 -5.554 22.945 -6.622 1.00 0.00 H new ATOM 564 N PRO B 36 -9.055 22.377 -0.346 1.00 0.00 N ATOM 565 CA PRO B 36 -10.476 22.641 -0.015 1.00 0.00 C ATOM 566 C PRO B 36 -11.375 22.290 -1.205 1.00 0.00 C ATOM 567 O PRO B 36 -10.868 22.246 -2.314 1.00 0.00 O ATOM 568 CB PRO B 36 -10.508 24.140 0.265 1.00 0.00 C ATOM 569 CG PRO B 36 -9.348 24.705 -0.491 1.00 0.00 C ATOM 570 CD PRO B 36 -8.310 23.618 -0.601 1.00 0.00 C ATOM 571 OXT PRO B 36 -12.556 22.071 -0.986 1.00 0.00 O ATOM 0 HA PRO B 36 -10.837 22.048 0.826 1.00 0.00 H new ATOM 0 HB2 PRO B 36 -11.447 24.583 -0.067 1.00 0.00 H new ATOM 0 HB3 PRO B 36 -10.419 24.343 1.332 1.00 0.00 H new ATOM 0 HG2 PRO B 36 -9.661 25.039 -1.480 1.00 0.00 H new ATOM 0 HG3 PRO B 36 -8.940 25.574 0.025 1.00 0.00 H new ATOM 0 HD2 PRO B 36 -7.847 23.608 -1.588 1.00 0.00 H new ATOM 0 HD3 PRO B 36 -7.509 23.758 0.125 1.00 0.00 H new TER 579 PRO B 36 ATOM 580 P G A 1 13.557 -18.112 -0.077 1.00 1.31 P ATOM 581 OP1 G A 1 14.102 -18.976 1.001 1.00 1.51 O ATOM 582 OP2 G A 1 13.253 -18.701 -1.406 1.00 1.52 O ATOM 583 O5' G A 1 12.237 -17.407 0.472 1.00 1.09 O ATOM 584 C5' G A 1 12.173 -16.907 1.821 1.00 1.03 C ATOM 585 C4' G A 1 11.077 -17.611 2.585 1.00 0.94 C ATOM 586 O4' G A 1 11.349 -17.492 4.003 1.00 1.02 O ATOM 587 C3' G A 1 9.699 -16.987 2.445 1.00 0.80 C ATOM 588 O3' G A 1 9.075 -17.414 1.227 1.00 0.75 O ATOM 589 C2' G A 1 8.984 -17.481 3.703 1.00 0.78 C ATOM 590 O2' G A 1 8.431 -18.776 3.590 1.00 0.77 O ATOM 591 C1' G A 1 10.125 -17.509 4.719 1.00 0.90 C ATOM 592 N9 G A 1 10.070 -16.340 5.583 1.00 0.90 N ATOM 593 C8 G A 1 10.673 -15.123 5.386 1.00 0.97 C ATOM 594 N7 G A 1 10.394 -14.258 6.322 1.00 0.99 N ATOM 595 C5 G A 1 9.561 -14.951 7.190 1.00 0.90 C ATOM 596 C6 G A 1 8.936 -14.535 8.387 1.00 0.88 C ATOM 597 O6 G A 1 8.997 -13.435 8.937 1.00 0.94 O ATOM 598 N1 G A 1 8.174 -15.554 8.954 1.00 0.82 N ATOM 599 C2 G A 1 8.036 -16.815 8.426 1.00 0.81 C ATOM 600 N2 G A 1 7.260 -17.668 9.114 1.00 0.83 N ATOM 601 N3 G A 1 8.615 -17.215 7.308 1.00 0.83 N ATOM 602 C4 G A 1 9.357 -16.237 6.748 1.00 0.86 C ATOM 0 H5' G A 1 11.987 -15.833 1.810 1.00 1.03 H new ATOM 0 H5'' G A 1 13.130 -17.060 2.319 1.00 1.03 H new ATOM 0 H4' G A 1 11.070 -18.624 2.183 1.00 0.94 H new ATOM 0 H3' G A 1 9.695 -15.899 2.376 1.00 0.80 H new ATOM 0 H2' G A 1 8.132 -16.847 3.949 1.00 0.78 H new ATOM 0 HO2' G A 1 9.095 -19.382 3.200 1.00 0.77 H new ATOM 0 H1' G A 1 10.041 -18.403 5.336 1.00 0.90 H new ATOM 0 H8 G A 1 11.312 -14.904 4.543 1.00 0.97 H new ATOM 0 H1 G A 1 7.683 -15.349 9.824 1.00 0.82 H new ATOM 0 H21 G A 1 7.119 -18.619 8.772 1.00 0.83 H new ATOM 0 H22 G A 1 6.811 -17.365 9.979 1.00 0.83 H new ATOM 614 P C A 2 8.391 -18.866 1.127 1.00 0.69 P ATOM 615 OP1 C A 2 9.207 -19.833 1.906 1.00 0.84 O ATOM 616 OP2 C A 2 8.123 -19.126 -0.311 1.00 0.82 O ATOM 617 O5' C A 2 6.986 -18.663 1.851 1.00 0.58 O ATOM 618 C5' C A 2 6.402 -17.350 1.954 1.00 0.57 C ATOM 619 C4' C A 2 5.217 -17.372 2.890 1.00 0.55 C ATOM 620 O4' C A 2 5.677 -17.080 4.233 1.00 0.54 O ATOM 621 C3' C A 2 4.189 -16.289 2.610 1.00 0.51 C ATOM 622 O3' C A 2 3.250 -16.744 1.639 1.00 0.59 O ATOM 623 C2' C A 2 3.521 -16.093 3.967 1.00 0.53 C ATOM 624 O2' C A 2 2.448 -16.990 4.183 1.00 0.67 O ATOM 625 C1' C A 2 4.662 -16.393 4.943 1.00 0.51 C ATOM 626 N1 C A 2 5.255 -15.184 5.533 1.00 0.45 N ATOM 627 C2 C A 2 4.788 -14.754 6.776 1.00 0.44 C ATOM 628 O2 C A 2 3.889 -15.404 7.331 1.00 0.49 O ATOM 629 N3 C A 2 5.323 -13.648 7.340 1.00 0.43 N ATOM 630 C4 C A 2 6.289 -12.980 6.707 1.00 0.45 C ATOM 631 N4 C A 2 6.789 -11.893 7.302 1.00 0.49 N ATOM 632 C5 C A 2 6.786 -13.396 5.437 1.00 0.47 C ATOM 633 C6 C A 2 6.245 -14.495 4.890 1.00 0.46 C ATOM 0 H5' C A 2 6.088 -17.006 0.968 1.00 0.57 H new ATOM 0 H5'' C A 2 7.147 -16.641 2.317 1.00 0.57 H new ATOM 0 H4' C A 2 4.766 -18.356 2.760 1.00 0.55 H new ATOM 0 H3' C A 2 4.617 -15.369 2.210 1.00 0.51 H new ATOM 0 H2' C A 2 3.081 -15.101 4.070 1.00 0.53 H new ATOM 0 HO2' C A 2 2.256 -17.476 3.354 1.00 0.67 H new ATOM 0 H1' C A 2 4.247 -16.984 5.760 1.00 0.51 H new ATOM 0 H41 C A 2 7.529 -11.357 6.847 1.00 0.49 H new ATOM 0 H42 C A 2 6.431 -11.599 8.211 1.00 0.49 H new ATOM 0 H5 C A 2 7.569 -12.847 4.934 1.00 0.47 H new ATOM 0 H6 C A 2 6.596 -14.840 3.929 1.00 0.46 H new ATOM 645 P C A 3 2.056 -15.777 1.168 1.00 0.67 P ATOM 646 OP1 C A 3 0.778 -16.468 1.477 1.00 1.00 O ATOM 647 OP2 C A 3 2.333 -15.335 -0.222 1.00 1.20 O ATOM 648 O5' C A 3 2.178 -14.512 2.128 1.00 0.89 O ATOM 649 C5' C A 3 1.098 -13.566 2.243 1.00 0.68 C ATOM 650 C4' C A 3 0.558 -13.560 3.651 1.00 0.61 C ATOM 651 O4' C A 3 1.674 -13.591 4.572 1.00 0.67 O ATOM 652 C3' C A 3 -0.204 -12.299 4.013 1.00 0.56 C ATOM 653 O3' C A 3 -1.580 -12.430 3.670 1.00 0.57 O ATOM 654 C2' C A 3 -0.010 -12.193 5.519 1.00 0.57 C ATOM 655 O2' C A 3 -0.974 -12.933 6.247 1.00 0.64 O ATOM 656 C1' C A 3 1.378 -12.809 5.714 1.00 0.62 C ATOM 657 N1 C A 3 2.430 -11.789 5.830 1.00 0.61 N ATOM 658 C2 C A 3 2.513 -11.024 6.997 1.00 0.56 C ATOM 659 O2 C A 3 1.698 -11.228 7.908 1.00 0.55 O ATOM 660 N3 C A 3 3.480 -10.083 7.100 1.00 0.58 N ATOM 661 C4 C A 3 4.338 -9.896 6.096 1.00 0.65 C ATOM 662 N4 C A 3 5.275 -8.959 6.239 1.00 0.71 N ATOM 663 C5 C A 3 4.274 -10.661 4.898 1.00 0.71 C ATOM 664 C6 C A 3 3.315 -11.589 4.806 1.00 0.68 C ATOM 0 H5' C A 3 0.304 -13.823 1.542 1.00 0.68 H new ATOM 0 H5'' C A 3 1.448 -12.569 1.976 1.00 0.68 H new ATOM 0 H4' C A 3 -0.110 -14.419 3.714 1.00 0.61 H new ATOM 0 H3' C A 3 0.145 -11.413 3.483 1.00 0.56 H new ATOM 0 H2' C A 3 -0.112 -11.169 5.878 1.00 0.57 H new ATOM 0 HO2' C A 3 -1.718 -13.172 5.655 1.00 0.64 H new ATOM 0 H1' C A 3 1.358 -13.394 6.634 1.00 0.62 H new ATOM 0 H41 C A 3 5.947 -8.791 5.490 1.00 0.71 H new ATOM 0 H42 C A 3 5.320 -8.410 7.098 1.00 0.71 H new ATOM 0 H5 C A 3 4.974 -10.498 4.092 1.00 0.71 H new ATOM 0 H6 C A 3 3.238 -12.189 3.911 1.00 0.68 H new ATOM 676 P C A 4 -2.390 -11.149 3.137 1.00 0.57 P ATOM 677 OP1 C A 4 -3.768 -11.598 2.814 1.00 0.60 O ATOM 678 OP2 C A 4 -1.573 -10.480 2.094 1.00 0.73 O ATOM 679 O5' C A 4 -2.468 -10.191 4.407 1.00 0.61 O ATOM 680 C5' C A 4 -3.405 -10.450 5.464 1.00 0.51 C ATOM 681 C4' C A 4 -3.234 -9.445 6.579 1.00 0.47 C ATOM 682 O4' C A 4 -1.913 -9.595 7.154 1.00 0.55 O ATOM 683 C3' C A 4 -3.262 -7.992 6.139 1.00 0.45 C ATOM 684 O3' C A 4 -4.613 -7.541 5.981 1.00 0.51 O ATOM 685 C2' C A 4 -2.514 -7.292 7.271 1.00 0.47 C ATOM 686 O2' C A 4 -3.324 -6.964 8.382 1.00 0.57 O ATOM 687 C1' C A 4 -1.485 -8.350 7.679 1.00 0.48 C ATOM 688 N1 C A 4 -0.146 -8.062 7.145 1.00 0.43 N ATOM 689 C2 C A 4 0.632 -7.091 7.777 1.00 0.39 C ATOM 690 O2 C A 4 0.172 -6.506 8.768 1.00 0.43 O ATOM 691 N3 C A 4 1.862 -6.815 7.292 1.00 0.38 N ATOM 692 C4 C A 4 2.316 -7.467 6.221 1.00 0.45 C ATOM 693 N4 C A 4 3.529 -7.168 5.775 1.00 0.51 N ATOM 694 C5 C A 4 1.544 -8.461 5.562 1.00 0.51 C ATOM 695 C6 C A 4 0.332 -8.726 6.051 1.00 0.48 C ATOM 0 H5' C A 4 -3.258 -11.459 5.850 1.00 0.51 H new ATOM 0 H5'' C A 4 -4.423 -10.402 5.076 1.00 0.51 H new ATOM 0 H4' C A 4 -4.067 -9.646 7.253 1.00 0.47 H new ATOM 0 H3' C A 4 -2.804 -7.798 5.169 1.00 0.45 H new ATOM 0 H2' C A 4 -2.106 -6.335 6.946 1.00 0.47 H new ATOM 0 HO2' C A 4 -3.746 -7.777 8.731 1.00 0.57 H new ATOM 0 H1' C A 4 -1.416 -8.359 8.767 1.00 0.48 H new ATOM 0 H41 C A 4 3.905 -7.649 4.958 1.00 0.51 H new ATOM 0 H42 C A 4 4.086 -6.457 6.249 1.00 0.51 H new ATOM 0 H5 C A 4 1.925 -8.983 4.697 1.00 0.51 H new ATOM 0 H6 C A 4 -0.281 -9.477 5.575 1.00 0.48 H new ATOM 707 P U A 5 -5.560 -7.337 7.265 1.00 0.57 P ATOM 708 OP1 U A 5 -5.062 -8.217 8.353 1.00 0.62 O ATOM 709 OP2 U A 5 -6.972 -7.456 6.818 1.00 0.77 O ATOM 710 O5' U A 5 -5.299 -5.821 7.672 1.00 0.49 O ATOM 711 C5' U A 5 -4.445 -4.985 6.868 1.00 0.45 C ATOM 712 C4' U A 5 -3.713 -3.996 7.743 1.00 0.41 C ATOM 713 O4' U A 5 -2.397 -4.530 8.012 1.00 0.47 O ATOM 714 C3' U A 5 -3.416 -2.651 7.101 1.00 0.35 C ATOM 715 O3' U A 5 -4.515 -1.756 7.248 1.00 0.36 O ATOM 716 C2' U A 5 -2.220 -2.160 7.907 1.00 0.41 C ATOM 717 O2' U A 5 -2.598 -1.467 9.081 1.00 0.50 O ATOM 718 C1' U A 5 -1.510 -3.463 8.271 1.00 0.43 C ATOM 719 N1 U A 5 -0.290 -3.663 7.480 1.00 0.43 N ATOM 720 C2 U A 5 0.755 -2.812 7.736 1.00 0.40 C ATOM 721 O2 U A 5 0.690 -1.927 8.575 1.00 0.39 O ATOM 722 N3 U A 5 1.877 -3.028 6.979 1.00 0.43 N ATOM 723 C4 U A 5 2.053 -3.987 6.010 1.00 0.50 C ATOM 724 O4 U A 5 3.130 -4.050 5.413 1.00 0.54 O ATOM 725 C5 U A 5 0.921 -4.835 5.801 1.00 0.55 C ATOM 726 C6 U A 5 -0.191 -4.650 6.525 1.00 0.51 C ATOM 0 H5' U A 5 -5.039 -4.454 6.124 1.00 0.45 H new ATOM 0 H5'' U A 5 -3.729 -5.600 6.324 1.00 0.45 H new ATOM 0 H4' U A 5 -4.367 -3.849 8.602 1.00 0.41 H new ATOM 0 H3' U A 5 -3.231 -2.717 6.029 1.00 0.35 H new ATOM 0 H2' U A 5 -1.611 -1.450 7.348 1.00 0.41 H new ATOM 0 HO2' U A 5 -3.539 -1.200 9.015 1.00 0.50 H new ATOM 0 H1' U A 5 -1.224 -3.420 9.322 1.00 0.43 H new ATOM 0 H3 U A 5 2.669 -2.409 7.154 1.00 0.43 H new ATOM 0 H5 U A 5 0.962 -5.622 5.062 1.00 0.55 H new ATOM 0 H6 U A 5 -1.039 -5.297 6.354 1.00 0.51 H new ATOM 737 P G A 6 -4.836 -0.692 6.086 1.00 0.43 P ATOM 738 OP1 G A 6 -6.313 -0.621 5.950 1.00 0.54 O ATOM 739 OP2 G A 6 -4.009 -1.039 4.904 1.00 0.65 O ATOM 740 O5' G A 6 -4.333 0.706 6.669 1.00 0.43 O ATOM 741 C5' G A 6 -3.007 0.859 7.221 1.00 0.47 C ATOM 742 C4' G A 6 -2.142 1.678 6.290 1.00 0.47 C ATOM 743 O4' G A 6 -0.785 1.171 6.333 1.00 0.53 O ATOM 744 C3' G A 6 -2.512 1.551 4.825 1.00 0.39 C ATOM 745 O3' G A 6 -3.554 2.465 4.498 1.00 0.41 O ATOM 746 C2' G A 6 -1.215 1.919 4.114 1.00 0.48 C ATOM 747 O2' G A 6 -1.079 3.312 3.897 1.00 0.59 O ATOM 748 C1' G A 6 -0.147 1.428 5.094 1.00 0.49 C ATOM 749 N9 G A 6 0.494 0.197 4.642 1.00 0.50 N ATOM 750 C8 G A 6 -0.050 -1.061 4.660 1.00 0.60 C ATOM 751 N7 G A 6 0.757 -1.976 4.194 1.00 0.63 N ATOM 752 C5 G A 6 1.904 -1.277 3.841 1.00 0.54 C ATOM 753 C6 G A 6 3.123 -1.735 3.275 1.00 0.55 C ATOM 754 O6 G A 6 3.443 -2.888 2.966 1.00 0.61 O ATOM 755 N1 G A 6 4.023 -0.691 3.073 1.00 0.55 N ATOM 756 C2 G A 6 3.776 0.625 3.380 1.00 0.57 C ATOM 757 N2 G A 6 4.769 1.492 3.111 1.00 0.70 N ATOM 758 N3 G A 6 2.643 1.065 3.908 1.00 0.53 N ATOM 759 C4 G A 6 1.759 0.067 4.112 1.00 0.49 C ATOM 0 H5' G A 6 -2.556 -0.121 7.379 1.00 0.47 H new ATOM 0 H5'' G A 6 -3.065 1.344 8.195 1.00 0.47 H new ATOM 0 H4' G A 6 -2.269 2.706 6.628 1.00 0.47 H new ATOM 0 H3' G A 6 -2.883 0.564 4.549 1.00 0.39 H new ATOM 0 H2' G A 6 -1.155 1.479 3.118 1.00 0.48 H new ATOM 0 HO2' G A 6 -1.119 3.499 2.936 1.00 0.59 H new ATOM 0 H1' G A 6 0.624 2.194 5.176 1.00 0.49 H new ATOM 0 H8 G A 6 -1.045 -1.274 5.023 1.00 0.60 H new ATOM 0 H1 G A 6 4.931 -0.920 2.668 1.00 0.55 H new ATOM 0 H21 G A 6 4.649 2.484 3.315 1.00 0.70 H new ATOM 0 H22 G A 6 5.642 1.157 2.703 1.00 0.70 H new ATOM 771 P A A 7 -4.388 2.266 3.141 1.00 0.43 P ATOM 772 OP1 A A 7 -4.623 3.611 2.561 1.00 0.74 O ATOM 773 OP2 A A 7 -5.544 1.379 3.428 1.00 0.66 O ATOM 774 O5' A A 7 -3.379 1.482 2.190 1.00 0.33 O ATOM 775 C5' A A 7 -3.726 1.200 0.824 1.00 0.29 C ATOM 776 C4' A A 7 -2.738 1.855 -0.110 1.00 0.23 C ATOM 777 O4' A A 7 -2.819 3.287 0.059 1.00 0.23 O ATOM 778 C3' A A 7 -1.276 1.557 0.168 1.00 0.25 C ATOM 779 O3' A A 7 -0.891 0.325 -0.431 1.00 0.27 O ATOM 780 C2' A A 7 -0.567 2.740 -0.488 1.00 0.24 C ATOM 781 O2' A A 7 -0.306 2.547 -1.864 1.00 0.25 O ATOM 782 C1' A A 7 -1.585 3.863 -0.315 1.00 0.21 C ATOM 783 N9 A A 7 -1.170 4.813 0.714 1.00 0.24 N ATOM 784 C8 A A 7 -1.762 5.082 1.922 1.00 0.29 C ATOM 785 N7 A A 7 -1.128 5.986 2.630 1.00 0.33 N ATOM 786 C5 A A 7 -0.047 6.336 1.833 1.00 0.30 C ATOM 787 C6 A A 7 1.010 7.244 2.011 1.00 0.34 C ATOM 788 N6 A A 7 1.160 8.005 3.099 1.00 0.39 N ATOM 789 N1 A A 7 1.922 7.348 1.019 1.00 0.35 N ATOM 790 C2 A A 7 1.771 6.585 -0.073 1.00 0.32 C ATOM 791 N3 A A 7 0.824 5.699 -0.354 1.00 0.27 N ATOM 792 C4 A A 7 -0.064 5.622 0.650 1.00 0.25 C ATOM 0 H5' A A 7 -4.732 1.563 0.614 1.00 0.29 H new ATOM 0 H5'' A A 7 -3.735 0.123 0.658 1.00 0.29 H new ATOM 0 H4' A A 7 -3.008 1.469 -1.093 1.00 0.23 H new ATOM 0 H3' A A 7 -1.042 1.449 1.227 1.00 0.25 H new ATOM 0 H2' A A 7 0.412 2.921 -0.043 1.00 0.24 H new ATOM 0 HO2' A A 7 0.147 3.338 -2.225 1.00 0.25 H new ATOM 0 H1' A A 7 -1.670 4.406 -1.256 1.00 0.21 H new ATOM 0 H8 A A 7 -2.665 4.595 2.258 1.00 0.29 H new ATOM 0 H61 A A 7 1.950 8.646 3.168 1.00 0.39 H new ATOM 0 H62 A A 7 0.484 7.945 3.860 1.00 0.39 H new ATOM 0 H2 A A 7 2.529 6.709 -0.833 1.00 0.32 H new ATOM 804 P A A 8 0.181 -0.616 0.306 1.00 0.37 P ATOM 805 OP1 A A 8 0.155 -1.936 -0.374 1.00 0.47 O ATOM 806 OP2 A A 8 -0.059 -0.540 1.770 1.00 0.44 O ATOM 807 O5' A A 8 1.581 0.077 -0.010 1.00 0.38 O ATOM 808 C5' A A 8 1.864 0.605 -1.319 1.00 0.39 C ATOM 809 C4' A A 8 2.834 1.759 -1.216 1.00 0.43 C ATOM 810 O4' A A 8 2.186 2.861 -0.538 1.00 0.37 O ATOM 811 C3' A A 8 4.051 1.467 -0.355 1.00 0.53 C ATOM 812 O3' A A 8 5.089 0.838 -1.109 1.00 0.66 O ATOM 813 C2' A A 8 4.479 2.852 0.111 1.00 0.50 C ATOM 814 O2' A A 8 5.299 3.519 -0.827 1.00 0.58 O ATOM 815 C1' A A 8 3.137 3.578 0.228 1.00 0.38 C ATOM 816 N9 A A 8 2.657 3.634 1.606 1.00 0.36 N ATOM 817 C8 A A 8 1.652 2.893 2.169 1.00 0.42 C ATOM 818 N7 A A 8 1.438 3.166 3.433 1.00 0.47 N ATOM 819 C5 A A 8 2.372 4.151 3.723 1.00 0.41 C ATOM 820 C6 A A 8 2.666 4.861 4.902 1.00 0.44 C ATOM 821 N6 A A 8 2.020 4.680 6.055 1.00 0.54 N ATOM 822 N1 A A 8 3.661 5.774 4.852 1.00 0.40 N ATOM 823 C2 A A 8 4.310 5.953 3.696 1.00 0.36 C ATOM 824 N3 A A 8 4.125 5.350 2.523 1.00 0.35 N ATOM 825 C4 A A 8 3.130 4.449 2.606 1.00 0.35 C ATOM 0 H5' A A 8 0.940 0.938 -1.793 1.00 0.39 H new ATOM 0 H5'' A A 8 2.283 -0.177 -1.952 1.00 0.39 H new ATOM 0 H4' A A 8 3.140 1.965 -2.242 1.00 0.43 H new ATOM 0 H3' A A 8 3.837 0.780 0.464 1.00 0.53 H new ATOM 0 H2' A A 8 5.071 2.814 1.026 1.00 0.50 H new ATOM 0 HO2' A A 8 4.817 3.612 -1.675 1.00 0.58 H new ATOM 0 H1' A A 8 3.271 4.600 -0.126 1.00 0.38 H new ATOM 0 H8 A A 8 1.088 2.152 1.622 1.00 0.42 H new ATOM 0 H61 A A 8 2.280 5.226 6.876 1.00 0.54 H new ATOM 0 H62 A A 8 1.266 3.995 6.115 1.00 0.54 H new ATOM 0 H2 A A 8 5.097 6.693 3.717 1.00 0.36 H new ATOM 837 P A A 9 5.128 0.992 -2.710 1.00 1.47 P ATOM 838 OP1 A A 9 5.109 2.445 -3.015 1.00 2.33 O ATOM 839 OP2 A A 9 4.091 0.106 -3.293 1.00 2.35 O ATOM 840 O5' A A 9 6.560 0.423 -3.112 1.00 1.08 O ATOM 841 C5' A A 9 7.683 0.571 -2.227 1.00 1.04 C ATOM 842 C4' A A 9 8.376 1.885 -2.481 1.00 1.09 C ATOM 843 O4' A A 9 7.810 2.487 -3.671 1.00 1.26 O ATOM 844 C3' A A 9 8.141 2.929 -1.407 1.00 0.99 C ATOM 845 O3' A A 9 9.057 2.763 -0.332 1.00 1.17 O ATOM 846 C2' A A 9 8.380 4.233 -2.155 1.00 1.26 C ATOM 847 O2' A A 9 9.751 4.576 -2.228 1.00 1.57 O ATOM 848 C1' A A 9 7.849 3.899 -3.553 1.00 1.29 C ATOM 849 N9 A A 9 6.490 4.396 -3.766 1.00 0.00 N ATOM 850 C8 A A 9 5.720 5.124 -2.895 1.00 0.00 C ATOM 851 N7 A A 9 4.534 5.428 -3.364 1.00 0.00 N ATOM 852 C5 A A 9 4.522 4.858 -4.629 1.00 0.00 C ATOM 853 C6 A A 9 3.545 4.819 -5.639 1.00 0.00 C ATOM 854 N6 A A 9 2.343 5.390 -5.530 1.00 0.00 N ATOM 855 N1 A A 9 3.849 4.164 -6.780 1.00 0.00 N ATOM 856 C2 A A 9 5.054 3.590 -6.887 1.00 0.00 C ATOM 857 N3 A A 9 6.054 3.559 -6.011 1.00 0.00 N ATOM 858 C4 A A 9 5.720 4.220 -4.890 1.00 0.00 C ATOM 0 H5' A A 9 8.382 -0.252 -2.374 1.00 1.04 H new ATOM 0 H5'' A A 9 7.348 0.523 -1.191 1.00 1.04 H new ATOM 0 H4' A A 9 9.437 1.640 -2.540 1.00 1.09 H new ATOM 0 H3' A A 9 7.153 2.876 -0.949 1.00 0.99 H new ATOM 0 H2' A A 9 7.903 5.085 -1.671 1.00 1.26 H new ATOM 0 HO2' A A 9 10.259 4.032 -1.590 1.00 1.57 H new ATOM 0 H1' A A 9 8.504 4.369 -4.287 1.00 1.29 H new ATOM 0 H8 A A 9 6.059 5.420 -1.913 1.00 0.00 H new ATOM 0 H61 A A 9 1.677 5.327 -6.300 1.00 0.00 H new ATOM 0 H62 A A 9 2.091 5.890 -4.677 1.00 0.00 H new ATOM 0 H2 A A 9 5.241 3.078 -7.820 1.00 0.00 H new ATOM 870 P A A 10 8.765 1.654 0.794 1.00 1.33 P ATOM 871 OP1 A A 10 9.229 0.339 0.284 1.00 2.11 O ATOM 872 OP2 A A 10 7.348 1.813 1.247 1.00 2.10 O ATOM 873 O5' A A 10 9.714 2.083 1.998 1.00 0.79 O ATOM 874 C5' A A 10 9.246 2.010 3.351 1.00 0.59 C ATOM 875 C4' A A 10 9.389 3.349 4.032 1.00 0.54 C ATOM 876 O4' A A 10 8.132 4.056 3.921 1.00 0.50 O ATOM 877 C3' A A 10 9.649 3.246 5.522 1.00 0.50 C ATOM 878 O3' A A 10 11.052 3.164 5.769 1.00 0.61 O ATOM 879 C2' A A 10 9.031 4.521 6.082 1.00 0.50 C ATOM 880 O2' A A 10 9.926 5.618 6.058 1.00 0.61 O ATOM 881 C1' A A 10 7.871 4.770 5.115 1.00 0.48 C ATOM 882 N9 A A 10 6.597 4.266 5.615 1.00 0.45 N ATOM 883 C8 A A 10 5.776 3.370 4.983 1.00 0.45 C ATOM 884 N7 A A 10 4.688 3.083 5.655 1.00 0.51 N ATOM 885 C5 A A 10 4.803 3.844 6.812 1.00 0.54 C ATOM 886 C6 A A 10 3.974 3.987 7.938 1.00 0.64 C ATOM 887 N6 A A 10 2.815 3.344 8.091 1.00 0.72 N ATOM 888 N1 A A 10 4.384 4.825 8.914 1.00 0.69 N ATOM 889 C2 A A 10 5.549 5.468 8.760 1.00 0.66 C ATOM 890 N3 A A 10 6.413 5.417 7.751 1.00 0.58 N ATOM 891 C4 A A 10 5.975 4.578 6.799 1.00 0.51 C ATOM 0 H5' A A 10 9.811 1.255 3.897 1.00 0.59 H new ATOM 0 H5'' A A 10 8.202 1.698 3.365 1.00 0.59 H new ATOM 0 H4' A A 10 10.231 3.845 3.549 1.00 0.54 H new ATOM 0 H3' A A 10 9.223 2.357 5.986 1.00 0.50 H new ATOM 0 H2' A A 10 8.743 4.418 7.128 1.00 0.50 H new ATOM 0 HO2' A A 10 10.847 5.288 6.001 1.00 0.61 H new ATOM 0 H1' A A 10 7.798 5.849 4.975 1.00 0.48 H new ATOM 0 H8 A A 10 6.004 2.939 4.019 1.00 0.45 H new ATOM 0 H61 A A 10 2.258 3.490 8.933 1.00 0.72 H new ATOM 0 H62 A A 10 2.486 2.706 7.366 1.00 0.72 H new ATOM 0 H2 A A 10 5.826 6.122 9.573 1.00 0.66 H new ATOM 903 P A A 11 11.585 2.738 7.225 1.00 0.62 P ATOM 904 OP1 A A 11 12.542 3.784 7.670 1.00 0.65 O ATOM 905 OP2 A A 11 12.022 1.321 7.165 1.00 0.77 O ATOM 906 O5' A A 11 10.292 2.825 8.150 1.00 0.58 O ATOM 907 C5' A A 11 10.293 3.614 9.353 1.00 0.56 C ATOM 908 C4' A A 11 8.940 3.543 10.017 1.00 0.49 C ATOM 909 O4' A A 11 7.943 3.359 8.984 1.00 0.46 O ATOM 910 C3' A A 11 8.757 2.357 10.949 1.00 0.47 C ATOM 911 O3' A A 11 9.200 2.705 12.265 1.00 0.51 O ATOM 912 C2' A A 11 7.254 2.105 10.889 1.00 0.43 C ATOM 913 O2' A A 11 6.525 2.903 11.803 1.00 0.47 O ATOM 914 C1' A A 11 6.903 2.527 9.462 1.00 0.42 C ATOM 915 N9 A A 11 6.789 1.401 8.535 1.00 0.41 N ATOM 916 C8 A A 11 7.738 0.949 7.653 1.00 0.46 C ATOM 917 N7 A A 11 7.343 -0.067 6.924 1.00 0.47 N ATOM 918 C5 A A 11 6.046 -0.304 7.359 1.00 0.42 C ATOM 919 C6 A A 11 5.077 -1.252 6.982 1.00 0.43 C ATOM 920 N6 A A 11 5.261 -2.184 6.038 1.00 0.49 N ATOM 921 N1 A A 11 3.887 -1.212 7.617 1.00 0.40 N ATOM 922 C2 A A 11 3.689 -0.286 8.560 1.00 0.37 C ATOM 923 N3 A A 11 4.518 0.656 9.002 1.00 0.37 N ATOM 924 C4 A A 11 5.693 0.592 8.354 1.00 0.39 C ATOM 0 H5' A A 11 10.538 4.650 9.118 1.00 0.56 H new ATOM 0 H5'' A A 11 11.062 3.251 10.035 1.00 0.56 H new ATOM 0 H4' A A 11 8.847 4.463 10.594 1.00 0.49 H new ATOM 0 H3' A A 11 9.330 1.472 10.674 1.00 0.47 H new ATOM 0 H2' A A 11 7.007 1.074 11.144 1.00 0.43 H new ATOM 0 HO2' A A 11 6.509 2.465 12.680 1.00 0.47 H new ATOM 0 H1' A A 11 5.935 3.027 9.504 1.00 0.42 H new ATOM 0 H8 A A 11 8.720 1.390 7.567 1.00 0.46 H new ATOM 0 H61 A A 11 4.512 -2.840 5.816 1.00 0.49 H new ATOM 0 H62 A A 11 6.150 -2.238 5.541 1.00 0.49 H new ATOM 0 H2 A A 11 2.717 -0.305 9.031 1.00 0.37 H new ATOM 936 P G A 12 8.607 1.940 13.554 1.00 0.56 P ATOM 937 OP1 G A 12 7.157 1.715 13.355 1.00 0.65 O ATOM 938 OP2 G A 12 9.065 2.700 14.745 1.00 0.68 O ATOM 939 O5' G A 12 9.372 0.537 13.583 1.00 0.50 O ATOM 940 C5' G A 12 8.851 -0.639 12.914 1.00 0.47 C ATOM 941 C4' G A 12 7.344 -0.678 12.995 1.00 0.42 C ATOM 942 O4' G A 12 6.833 -0.455 11.659 1.00 0.40 O ATOM 943 C3' G A 12 6.749 -2.014 13.399 1.00 0.39 C ATOM 944 O3' G A 12 6.651 -2.116 14.818 1.00 0.43 O ATOM 945 C2' G A 12 5.366 -1.973 12.756 1.00 0.35 C ATOM 946 O2' G A 12 4.410 -1.310 13.560 1.00 0.37 O ATOM 947 C1' G A 12 5.626 -1.169 11.481 1.00 0.35 C ATOM 948 N9 G A 12 5.791 -2.035 10.321 1.00 0.33 N ATOM 949 C8 G A 12 6.887 -2.118 9.497 1.00 0.36 C ATOM 950 N7 G A 12 6.747 -3.002 8.548 1.00 0.36 N ATOM 951 C5 G A 12 5.482 -3.534 8.758 1.00 0.33 C ATOM 952 C6 G A 12 4.777 -4.535 8.044 1.00 0.36 C ATOM 953 O6 G A 12 5.143 -5.174 7.052 1.00 0.40 O ATOM 954 N1 G A 12 3.520 -4.769 8.593 1.00 0.36 N ATOM 955 C2 G A 12 3.011 -4.122 9.694 1.00 0.34 C ATOM 956 N2 G A 12 1.780 -4.489 10.078 1.00 0.37 N ATOM 957 N3 G A 12 3.659 -3.188 10.369 1.00 0.31 N ATOM 958 C4 G A 12 4.880 -2.946 9.848 1.00 0.31 C ATOM 0 H5' G A 12 9.268 -1.537 13.370 1.00 0.47 H new ATOM 0 H5'' G A 12 9.164 -0.637 11.870 1.00 0.47 H new ATOM 0 H4' G A 12 7.076 0.064 13.747 1.00 0.42 H new ATOM 0 H3' G A 12 7.346 -2.870 13.084 1.00 0.39 H new ATOM 0 H2' G A 12 4.954 -2.969 12.595 1.00 0.35 H new ATOM 0 HO2' G A 12 4.686 -1.353 14.499 1.00 0.37 H new ATOM 0 H1' G A 12 4.774 -0.512 11.306 1.00 0.35 H new ATOM 0 H8 G A 12 7.773 -1.514 9.622 1.00 0.36 H new ATOM 0 H1 G A 12 2.933 -5.473 8.145 1.00 0.36 H new ATOM 0 H21 G A 12 1.345 -4.047 10.888 1.00 0.37 H new ATOM 0 H22 G A 12 1.278 -5.210 9.560 1.00 0.37 H new ATOM 970 P G A 13 7.382 -3.326 15.582 1.00 0.51 P ATOM 971 OP1 G A 13 7.667 -2.894 16.974 1.00 0.57 O ATOM 972 OP2 G A 13 8.495 -3.791 14.716 1.00 0.59 O ATOM 973 O5' G A 13 6.281 -4.477 15.633 1.00 0.57 O ATOM 974 C5' G A 13 5.119 -4.351 16.475 1.00 0.62 C ATOM 975 C4' G A 13 4.076 -5.364 16.079 1.00 0.60 C ATOM 976 O4' G A 13 3.603 -5.027 14.750 1.00 0.59 O ATOM 977 C3' G A 13 4.595 -6.781 15.936 1.00 0.59 C ATOM 978 O3' G A 13 4.614 -7.464 17.196 1.00 0.66 O ATOM 979 C2' G A 13 3.611 -7.399 14.949 1.00 0.57 C ATOM 980 O2' G A 13 2.433 -7.906 15.542 1.00 0.63 O ATOM 981 C1' G A 13 3.258 -6.211 14.057 1.00 0.54 C ATOM 982 N9 G A 13 3.997 -6.247 12.800 1.00 0.50 N ATOM 983 C8 G A 13 5.074 -5.475 12.440 1.00 0.54 C ATOM 984 N7 G A 13 5.531 -5.760 11.251 1.00 0.56 N ATOM 985 C5 G A 13 4.703 -6.779 10.801 1.00 0.50 C ATOM 986 C6 G A 13 4.709 -7.496 9.579 1.00 0.53 C ATOM 987 O6 G A 13 5.475 -7.367 8.618 1.00 0.60 O ATOM 988 N1 G A 13 3.693 -8.448 9.533 1.00 0.51 N ATOM 989 C2 G A 13 2.789 -8.676 10.542 1.00 0.48 C ATOM 990 N2 G A 13 1.881 -9.638 10.316 1.00 0.52 N ATOM 991 N3 G A 13 2.774 -8.015 11.686 1.00 0.47 N ATOM 992 C4 G A 13 3.752 -7.088 11.746 1.00 0.47 C ATOM 0 H5' G A 13 4.709 -3.345 16.392 1.00 0.62 H new ATOM 0 H5'' G A 13 5.400 -4.496 17.518 1.00 0.62 H new ATOM 0 H4' G A 13 3.327 -5.332 16.870 1.00 0.60 H new ATOM 0 H3' G A 13 5.627 -6.837 15.591 1.00 0.59 H new ATOM 0 H2' G A 13 4.049 -8.260 14.445 1.00 0.57 H new ATOM 0 HO2' G A 13 1.996 -7.197 16.058 1.00 0.63 H new ATOM 0 H1' G A 13 2.193 -6.248 13.827 1.00 0.54 H new ATOM 0 H8 G A 13 5.499 -4.711 13.075 1.00 0.54 H new ATOM 0 H1 G A 13 3.615 -9.016 8.690 1.00 0.51 H new ATOM 0 H21 G A 13 1.182 -9.856 11.026 1.00 0.52 H new ATOM 0 H22 G A 13 1.890 -10.151 9.434 1.00 0.52 H new ATOM 1004 P G A 14 3.238 -7.903 17.908 1.00 0.74 P ATOM 1005 OP1 G A 14 2.190 -6.924 17.521 1.00 0.80 O ATOM 1006 OP2 G A 14 3.521 -8.138 19.347 1.00 0.90 O ATOM 1007 O5' G A 14 2.887 -9.310 17.243 1.00 0.68 O ATOM 1008 C5' G A 14 1.527 -9.784 17.192 1.00 0.70 C ATOM 1009 C4' G A 14 1.468 -11.140 16.522 1.00 0.68 C ATOM 1010 O4' G A 14 1.383 -10.954 15.086 1.00 0.67 O ATOM 1011 C3' G A 14 2.704 -12.002 16.688 1.00 0.67 C ATOM 1012 O3' G A 14 2.677 -12.707 17.924 1.00 0.77 O ATOM 1013 C2' G A 14 2.589 -12.959 15.508 1.00 0.67 C ATOM 1014 O2' G A 14 1.729 -14.051 15.768 1.00 0.80 O ATOM 1015 C1' G A 14 1.971 -12.065 14.431 1.00 0.61 C ATOM 1016 N9 G A 14 2.972 -11.570 13.492 1.00 0.50 N ATOM 1017 C8 G A 14 3.774 -10.468 13.644 1.00 0.50 C ATOM 1018 N7 G A 14 4.587 -10.282 12.640 1.00 0.47 N ATOM 1019 C5 G A 14 4.303 -11.327 11.771 1.00 0.41 C ATOM 1020 C6 G A 14 4.869 -11.654 10.508 1.00 0.40 C ATOM 1021 O6 G A 14 5.762 -11.062 9.891 1.00 0.45 O ATOM 1022 N1 G A 14 4.289 -12.799 9.964 1.00 0.41 N ATOM 1023 C2 G A 14 3.292 -13.531 10.565 1.00 0.46 C ATOM 1024 N2 G A 14 2.860 -14.604 9.888 1.00 0.55 N ATOM 1025 N3 G A 14 2.759 -13.237 11.740 1.00 0.49 N ATOM 1026 C4 G A 14 3.307 -12.130 12.282 1.00 0.44 C ATOM 0 H5' G A 14 0.907 -9.073 16.645 1.00 0.70 H new ATOM 0 H5'' G A 14 1.120 -9.851 18.201 1.00 0.70 H new ATOM 0 H4' G A 14 0.614 -11.629 16.992 1.00 0.68 H new ATOM 0 H3' G A 14 3.634 -11.434 16.704 1.00 0.67 H new ATOM 0 H2' G A 14 3.547 -13.409 15.248 1.00 0.67 H new ATOM 0 HO2' G A 14 1.156 -13.841 16.535 1.00 0.80 H new ATOM 0 H1' G A 14 1.242 -12.647 13.867 1.00 0.61 H new ATOM 0 H8 G A 14 3.737 -9.820 14.507 1.00 0.50 H new ATOM 0 H1 G A 14 4.628 -13.116 9.056 1.00 0.41 H new ATOM 0 H21 G A 14 2.122 -15.190 10.278 1.00 0.55 H new ATOM 0 H22 G A 14 3.269 -14.835 8.983 1.00 0.55 H new ATOM 1038 P C A 15 3.962 -13.555 18.381 1.00 0.87 P ATOM 1039 OP1 C A 15 3.639 -14.244 19.656 1.00 1.02 O ATOM 1040 OP2 C A 15 5.138 -12.652 18.313 1.00 0.91 O ATOM 1041 O5' C A 15 4.118 -14.659 17.242 1.00 0.85 O ATOM 1042 C5' C A 15 3.229 -15.788 17.188 1.00 0.94 C ATOM 1043 C4' C A 15 3.656 -16.743 16.095 1.00 0.97 C ATOM 1044 O4' C A 15 3.608 -16.069 14.814 1.00 0.84 O ATOM 1045 C3' C A 15 5.094 -17.217 16.180 1.00 1.09 C ATOM 1046 O3' C A 15 5.217 -18.319 17.087 1.00 1.31 O ATOM 1047 C2' C A 15 5.388 -17.653 14.748 1.00 1.09 C ATOM 1048 O2' C A 15 5.008 -18.993 14.495 1.00 1.30 O ATOM 1049 C1' C A 15 4.519 -16.697 13.929 1.00 0.89 C ATOM 1050 N1 C A 15 5.321 -15.661 13.261 1.00 0.75 N ATOM 1051 C2 C A 15 5.972 -15.990 12.068 1.00 0.77 C ATOM 1052 O2 C A 15 5.839 -17.129 11.602 1.00 0.89 O ATOM 1053 N3 C A 15 6.728 -15.061 11.451 1.00 0.70 N ATOM 1054 C4 C A 15 6.850 -13.846 11.977 1.00 0.66 C ATOM 1055 N4 C A 15 7.608 -12.972 11.324 1.00 0.71 N ATOM 1056 C5 C A 15 6.198 -13.478 13.190 1.00 0.64 C ATOM 1057 C6 C A 15 5.448 -14.410 13.796 1.00 0.66 C ATOM 0 H5' C A 15 2.210 -15.448 17.005 1.00 0.94 H new ATOM 0 H5'' C A 15 3.226 -16.303 18.149 1.00 0.94 H new ATOM 0 H4' C A 15 2.975 -17.587 16.209 1.00 0.97 H new ATOM 0 H3' C A 15 5.780 -16.456 16.551 1.00 1.09 H new ATOM 0 H2' C A 15 6.452 -17.616 14.516 1.00 1.09 H new ATOM 0 HO2' C A 15 5.022 -19.501 15.333 1.00 1.30 H new ATOM 0 HO3' C A 15 6.152 -18.609 17.124 1.00 1.31 H new ATOM 0 H1' C A 15 4.004 -17.269 13.157 1.00 0.89 H new ATOM 0 H41 C A 15 7.730 -12.028 11.691 1.00 0.71 H new ATOM 0 H42 C A 15 8.068 -13.245 10.456 1.00 0.71 H new ATOM 0 H5 C A 15 6.304 -12.487 13.605 1.00 0.64 H new ATOM 0 H6 C A 15 4.939 -14.169 14.717 1.00 0.66 H new TER 1069 C A 15