USER MOD reduce.3.24.130724 H: found=0, std=0, add=213, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 214 hydrogens (60 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 NoAdj-H: B 1 THR H1 : B 1 THR N : B 6 PXZ C :(NH2R) USER MOD NoAdj-H: B 1 THR H2 : B 1 THR N : B 6 PXZ C :(NH2R) USER MOD NoAdj-H: B 2 DVA H2 : B 2 DVA N : B 1 THR C :(H bumps) USER MOD NoAdj-H: B 4 SAR H : B 4 SAR N : B 3 PRO C :(H bumps) USER MOD NoAdj-H: B 5 MVA H : B 5 MVA N : B 4 SAR C :(H bumps) USER MOD NoAdj-H: B 6 PXZ H' : B 6 PXZ C' : B 7 THR N :(H bumps) USER MOD NoAdj-H: B 6 PXZ H : B 6 PXZ C : B 1 THR N :(H bumps) USER MOD NoAdj-H: B 8 DVA H2 : B 8 DVA N : B 7 THR C :(H bumps) USER MOD NoAdj-H: B 10 SAR H : B 10 SAR N : B 9 PRO C :(H bumps) USER MOD NoAdj-H: B 11 MVA H : B 11 MVA N : B 10 SAR C :(H bumps) USER MOD Single : A 1 DC O5' : rot 180:sc= 0 USER MOD Single : A 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 5 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 6 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 11 DG O3' : rot 180:sc= 0 USER MOD Single : B 1 THR N :NH3+ 177:sc= 0 (180deg=-0.0103) USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 3.924 -12.276 -6.429 1.00 0.00 O ATOM 2 C5' DC A 1 4.093 -12.182 -5.030 1.00 0.00 C ATOM 3 C4' DC A 1 2.800 -11.669 -4.392 1.00 0.00 C ATOM 4 O4' DC A 1 2.905 -11.584 -2.984 1.00 0.00 O ATOM 5 C3' DC A 1 2.440 -10.253 -4.853 1.00 0.00 C ATOM 6 O3' DC A 1 1.603 -10.309 -5.995 1.00 0.00 O ATOM 7 C2' DC A 1 1.762 -9.643 -3.624 1.00 0.00 C ATOM 8 C1' DC A 1 1.826 -10.761 -2.589 1.00 0.00 C ATOM 9 N1 DC A 1 1.957 -10.235 -1.205 1.00 0.00 N ATOM 10 C2 DC A 1 0.816 -10.169 -0.404 1.00 0.00 C ATOM 11 O2 DC A 1 -0.301 -10.421 -0.853 1.00 0.00 O ATOM 12 N3 DC A 1 0.958 -9.788 0.895 1.00 0.00 N ATOM 13 C4 DC A 1 2.154 -9.460 1.402 1.00 0.00 C ATOM 14 N4 DC A 1 2.217 -9.083 2.684 1.00 0.00 N ATOM 15 C5 DC A 1 3.336 -9.480 0.586 1.00 0.00 C ATOM 16 C6 DC A 1 3.184 -9.876 -0.702 1.00 0.00 C ATOM 0 H5' DC A 1 4.918 -11.508 -4.797 1.00 0.00 H new ATOM 0 H5'' DC A 1 4.352 -13.157 -4.618 1.00 0.00 H new ATOM 0 H4' DC A 1 2.041 -12.389 -4.700 1.00 0.00 H new ATOM 0 H3' DC A 1 3.291 -9.651 -5.171 1.00 0.00 H new ATOM 0 H2' DC A 1 2.282 -8.749 -3.281 1.00 0.00 H new ATOM 0 H2'' DC A 1 0.733 -9.351 -3.837 1.00 0.00 H new ATOM 0 HO5' DC A 1 4.753 -12.603 -6.837 1.00 0.00 H new ATOM 0 H1' DC A 1 0.901 -11.337 -2.558 1.00 0.00 H new ATOM 0 H41 DC A 1 3.114 -8.828 3.097 1.00 0.00 H new ATOM 0 H42 DC A 1 1.368 -9.051 3.248 1.00 0.00 H new ATOM 0 H5 DC A 1 4.300 -9.193 0.980 1.00 0.00 H new ATOM 0 H6 DC A 1 4.049 -9.910 -1.348 1.00 0.00 H new ATOM 29 P DC A 2 1.142 -8.980 -6.793 1.00 0.00 P ATOM 30 OP1 DC A 2 0.640 -9.401 -8.120 1.00 0.00 O ATOM 31 OP2 DC A 2 2.237 -7.988 -6.707 1.00 0.00 O ATOM 32 O5' DC A 2 -0.106 -8.423 -5.935 1.00 0.00 O ATOM 33 C5' DC A 2 -1.335 -9.124 -5.871 1.00 0.00 C ATOM 34 C4' DC A 2 -2.353 -8.342 -5.033 1.00 0.00 C ATOM 35 O4' DC A 2 -1.902 -8.229 -3.694 1.00 0.00 O ATOM 36 C3' DC A 2 -2.574 -6.923 -5.577 1.00 0.00 C ATOM 37 O3' DC A 2 -3.964 -6.701 -5.761 1.00 0.00 O ATOM 38 C2' DC A 2 -2.008 -6.044 -4.463 1.00 0.00 C ATOM 39 C1' DC A 2 -2.210 -6.927 -3.236 1.00 0.00 C ATOM 40 N1 DC A 2 -1.316 -6.576 -2.097 1.00 0.00 N ATOM 41 C2 DC A 2 -1.883 -6.149 -0.893 1.00 0.00 C ATOM 42 O2 DC A 2 -3.061 -5.807 -0.831 1.00 0.00 O ATOM 43 N3 DC A 2 -1.105 -6.137 0.229 1.00 0.00 N ATOM 44 C4 DC A 2 0.196 -6.465 0.170 1.00 0.00 C ATOM 45 N4 DC A 2 0.904 -6.514 1.302 1.00 0.00 N ATOM 46 C5 DC A 2 0.827 -6.785 -1.079 1.00 0.00 C ATOM 47 C6 DC A 2 0.032 -6.832 -2.173 1.00 0.00 C ATOM 0 H5' DC A 2 -1.176 -10.110 -5.435 1.00 0.00 H new ATOM 0 H5'' DC A 2 -1.725 -9.279 -6.877 1.00 0.00 H new ATOM 0 H4' DC A 2 -3.291 -8.895 -5.082 1.00 0.00 H new ATOM 0 H3' DC A 2 -2.104 -6.729 -6.541 1.00 0.00 H new ATOM 0 H2' DC A 2 -0.957 -5.804 -4.626 1.00 0.00 H new ATOM 0 H2'' DC A 2 -2.542 -5.097 -4.378 1.00 0.00 H new ATOM 0 H1' DC A 2 -3.222 -6.814 -2.848 1.00 0.00 H new ATOM 0 H41 DC A 2 1.893 -6.761 1.275 1.00 0.00 H new ATOM 0 H42 DC A 2 0.455 -6.304 2.194 1.00 0.00 H new ATOM 0 H5 DC A 2 1.887 -6.979 -1.143 1.00 0.00 H new ATOM 0 H6 DC A 2 0.468 -7.077 -3.130 1.00 0.00 H new ATOM 59 P DG A 3 -4.518 -5.776 -6.965 1.00 0.00 P ATOM 60 OP1 DG A 3 -5.997 -5.842 -6.942 1.00 0.00 O ATOM 61 OP2 DG A 3 -3.792 -6.137 -8.203 1.00 0.00 O ATOM 62 O5' DG A 3 -4.071 -4.289 -6.535 1.00 0.00 O ATOM 63 C5' DG A 3 -4.971 -3.404 -5.896 1.00 0.00 C ATOM 64 C4' DG A 3 -4.239 -2.181 -5.336 1.00 0.00 C ATOM 65 O4' DG A 3 -3.568 -2.566 -4.144 1.00 0.00 O ATOM 66 C3' DG A 3 -3.195 -1.582 -6.302 1.00 0.00 C ATOM 67 O3' DG A 3 -3.415 -0.195 -6.528 1.00 0.00 O ATOM 68 C2' DG A 3 -1.902 -1.828 -5.528 1.00 0.00 C ATOM 69 C1' DG A 3 -2.383 -1.811 -4.077 1.00 0.00 C ATOM 70 N9 DG A 3 -1.411 -2.368 -3.098 1.00 0.00 N ATOM 71 C8 DG A 3 -0.220 -3.016 -3.332 1.00 0.00 C ATOM 72 N7 DG A 3 0.421 -3.375 -2.257 1.00 0.00 N ATOM 73 C5 DG A 3 -0.387 -2.927 -1.223 1.00 0.00 C ATOM 74 C6 DG A 3 -0.183 -3.008 0.187 1.00 0.00 C ATOM 75 O6 DG A 3 0.764 -3.490 0.804 1.00 0.00 O ATOM 76 N1 DG A 3 -1.227 -2.443 0.901 1.00 0.00 N ATOM 77 C2 DG A 3 -2.320 -1.826 0.335 1.00 0.00 C ATOM 78 N2 DG A 3 -3.181 -1.301 1.208 1.00 0.00 N ATOM 79 N3 DG A 3 -2.510 -1.717 -0.994 1.00 0.00 N ATOM 80 C4 DG A 3 -1.511 -2.301 -1.721 1.00 0.00 C ATOM 0 H5' DG A 3 -5.486 -3.925 -5.088 1.00 0.00 H new ATOM 0 H5'' DG A 3 -5.734 -3.082 -6.605 1.00 0.00 H new ATOM 0 H4' DG A 3 -4.994 -1.414 -5.164 1.00 0.00 H new ATOM 0 H3' DG A 3 -3.211 -2.019 -7.301 1.00 0.00 H new ATOM 0 H2' DG A 3 -1.444 -2.781 -5.794 1.00 0.00 H new ATOM 0 H2'' DG A 3 -1.160 -1.053 -5.720 1.00 0.00 H new ATOM 0 H1' DG A 3 -2.521 -0.796 -3.704 1.00 0.00 H new ATOM 0 H8 DG A 3 0.153 -3.211 -4.327 1.00 0.00 H new ATOM 0 H1 DG A 3 -1.183 -2.487 1.919 1.00 0.00 H new ATOM 0 H21 DG A 3 -4.019 -0.825 0.874 1.00 0.00 H new ATOM 0 H22 DG A 3 -3.001 -1.376 2.209 1.00 0.00 H new ATOM 92 P DT A 4 -2.803 0.560 -7.833 1.00 0.00 P ATOM 93 OP1 DT A 4 -3.657 0.238 -8.997 1.00 0.00 O ATOM 94 OP2 DT A 4 -1.351 0.279 -7.886 1.00 0.00 O ATOM 95 O5' DT A 4 -2.960 2.134 -7.508 1.00 0.00 O ATOM 96 C5' DT A 4 -4.224 2.767 -7.438 1.00 0.00 C ATOM 97 C4' DT A 4 -4.124 4.136 -6.745 1.00 0.00 C ATOM 98 O4' DT A 4 -3.106 4.066 -5.754 1.00 0.00 O ATOM 99 C3' DT A 4 -3.780 5.321 -7.663 1.00 0.00 C ATOM 100 O3' DT A 4 -4.332 6.516 -7.129 1.00 0.00 O ATOM 101 C2' DT A 4 -2.261 5.307 -7.601 1.00 0.00 C ATOM 102 C1' DT A 4 -2.011 4.879 -6.149 1.00 0.00 C ATOM 103 N1 DT A 4 -0.689 4.222 -5.900 1.00 0.00 N ATOM 104 C2 DT A 4 -0.157 4.303 -4.610 1.00 0.00 C ATOM 105 O2 DT A 4 -0.738 4.839 -3.667 1.00 0.00 O ATOM 106 N3 DT A 4 1.089 3.720 -4.417 1.00 0.00 N ATOM 107 C4 DT A 4 1.834 3.039 -5.365 1.00 0.00 C ATOM 108 O4 DT A 4 2.939 2.589 -5.075 1.00 0.00 O ATOM 109 C5 DT A 4 1.176 2.910 -6.649 1.00 0.00 C ATOM 110 C7 DT A 4 1.824 2.097 -7.754 1.00 0.00 C ATOM 111 C6 DT A 4 -0.033 3.483 -6.867 1.00 0.00 C ATOM 0 H5' DT A 4 -4.922 2.131 -6.893 1.00 0.00 H new ATOM 0 H5'' DT A 4 -4.626 2.894 -8.443 1.00 0.00 H new ATOM 0 H4' DT A 4 -5.120 4.328 -6.345 1.00 0.00 H new ATOM 0 H3' DT A 4 -4.168 5.259 -8.680 1.00 0.00 H new ATOM 0 H2' DT A 4 -1.829 4.605 -8.314 1.00 0.00 H new ATOM 0 H2'' DT A 4 -1.834 6.286 -7.818 1.00 0.00 H new ATOM 0 H1' DT A 4 -1.948 5.777 -5.534 1.00 0.00 H new ATOM 0 H3 DT A 4 1.495 3.802 -3.485 1.00 0.00 H new ATOM 0 H71 DT A 4 1.051 1.665 -8.389 1.00 0.00 H new ATOM 0 H72 DT A 4 2.466 2.743 -8.353 1.00 0.00 H new ATOM 0 H73 DT A 4 2.422 1.298 -7.315 1.00 0.00 H new ATOM 0 H6 DT A 4 -0.501 3.358 -7.832 1.00 0.00 H new ATOM 124 P DT A 5 -4.099 7.972 -7.807 1.00 0.00 P ATOM 125 OP1 DT A 5 -5.361 8.736 -7.697 1.00 0.00 O ATOM 126 OP2 DT A 5 -3.466 7.786 -9.132 1.00 0.00 O ATOM 127 O5' DT A 5 -3.014 8.644 -6.813 1.00 0.00 O ATOM 128 C5' DT A 5 -3.417 9.148 -5.554 1.00 0.00 C ATOM 129 C4' DT A 5 -2.237 9.350 -4.601 1.00 0.00 C ATOM 130 O4' DT A 5 -1.404 8.202 -4.548 1.00 0.00 O ATOM 131 C3' DT A 5 -1.332 10.564 -4.889 1.00 0.00 C ATOM 132 O3' DT A 5 -1.592 11.544 -3.890 1.00 0.00 O ATOM 133 C2' DT A 5 0.066 9.937 -4.826 1.00 0.00 C ATOM 134 C1' DT A 5 -0.184 8.663 -4.022 1.00 0.00 C ATOM 135 N1 DT A 5 0.908 7.646 -4.090 1.00 0.00 N ATOM 136 C2 DT A 5 1.256 6.984 -2.910 1.00 0.00 C ATOM 137 O2 DT A 5 0.641 7.112 -1.853 1.00 0.00 O ATOM 138 N3 DT A 5 2.357 6.142 -2.976 1.00 0.00 N ATOM 139 C4 DT A 5 3.145 5.917 -4.094 1.00 0.00 C ATOM 140 O4 DT A 5 4.163 5.236 -4.004 1.00 0.00 O ATOM 141 C5 DT A 5 2.649 6.543 -5.305 1.00 0.00 C ATOM 142 C7 DT A 5 3.364 6.289 -6.617 1.00 0.00 C ATOM 143 C6 DT A 5 1.572 7.369 -5.265 1.00 0.00 C ATOM 0 H5' DT A 5 -4.132 8.460 -5.102 1.00 0.00 H new ATOM 0 H5'' DT A 5 -3.934 10.097 -5.694 1.00 0.00 H new ATOM 0 H4' DT A 5 -2.734 9.539 -3.649 1.00 0.00 H new ATOM 0 H3' DT A 5 -1.477 11.082 -5.837 1.00 0.00 H new ATOM 0 H2' DT A 5 0.460 9.720 -5.819 1.00 0.00 H new ATOM 0 H2'' DT A 5 0.784 10.593 -4.335 1.00 0.00 H new ATOM 0 H1' DT A 5 -0.215 8.860 -2.950 1.00 0.00 H new ATOM 0 H3 DT A 5 2.610 5.643 -2.123 1.00 0.00 H new ATOM 0 H71 DT A 5 2.649 6.346 -7.438 1.00 0.00 H new ATOM 0 H72 DT A 5 4.141 7.041 -6.760 1.00 0.00 H new ATOM 0 H73 DT A 5 3.817 5.298 -6.598 1.00 0.00 H new ATOM 0 H6 DT A 5 1.225 7.823 -6.182 1.00 0.00 H new ATOM 156 P DT A 6 -0.630 12.811 -3.575 1.00 0.00 P ATOM 157 OP1 DT A 6 -1.464 13.893 -3.007 1.00 0.00 O ATOM 158 OP2 DT A 6 0.221 13.077 -4.757 1.00 0.00 O ATOM 159 O5' DT A 6 0.300 12.221 -2.390 1.00 0.00 O ATOM 160 C5' DT A 6 -0.276 11.808 -1.162 1.00 0.00 C ATOM 161 C4' DT A 6 0.624 10.818 -0.411 1.00 0.00 C ATOM 162 O4' DT A 6 1.342 10.006 -1.332 1.00 0.00 O ATOM 163 C3' DT A 6 1.646 11.434 0.560 1.00 0.00 C ATOM 164 O3' DT A 6 1.525 10.739 1.796 1.00 0.00 O ATOM 165 C2' DT A 6 2.962 11.152 -0.151 1.00 0.00 C ATOM 166 C1' DT A 6 2.648 9.818 -0.826 1.00 0.00 C ATOM 167 N1 DT A 6 3.612 9.471 -1.909 1.00 0.00 N ATOM 168 C2 DT A 6 4.263 8.235 -1.866 1.00 0.00 C ATOM 169 O2 DT A 6 4.035 7.377 -1.018 1.00 0.00 O ATOM 170 N3 DT A 6 5.178 7.982 -2.877 1.00 0.00 N ATOM 171 C4 DT A 6 5.446 8.807 -3.959 1.00 0.00 C ATOM 172 O4 DT A 6 6.262 8.460 -4.809 1.00 0.00 O ATOM 173 C5 DT A 6 4.690 10.046 -3.965 1.00 0.00 C ATOM 174 C7 DT A 6 4.875 11.035 -5.100 1.00 0.00 C ATOM 175 C6 DT A 6 3.824 10.333 -2.961 1.00 0.00 C ATOM 0 H5' DT A 6 -1.244 11.345 -1.353 1.00 0.00 H new ATOM 0 H5'' DT A 6 -0.458 12.681 -0.535 1.00 0.00 H new ATOM 0 H4' DT A 6 -0.077 10.247 0.198 1.00 0.00 H new ATOM 0 H3' DT A 6 1.532 12.494 0.787 1.00 0.00 H new ATOM 0 H2' DT A 6 3.216 11.929 -0.872 1.00 0.00 H new ATOM 0 H2'' DT A 6 3.798 11.076 0.544 1.00 0.00 H new ATOM 0 H1' DT A 6 2.726 8.982 -0.131 1.00 0.00 H new ATOM 0 H3 DT A 6 5.702 7.109 -2.819 1.00 0.00 H new ATOM 0 H71 DT A 6 3.947 11.585 -5.259 1.00 0.00 H new ATOM 0 H72 DT A 6 5.672 11.734 -4.847 1.00 0.00 H new ATOM 0 H73 DT A 6 5.139 10.498 -6.011 1.00 0.00 H new ATOM 0 H6 DT A 6 3.284 11.268 -2.988 1.00 0.00 H new ATOM 188 P DT A 7 2.505 10.992 3.062 1.00 0.00 P ATOM 189 OP1 DT A 7 1.746 10.699 4.298 1.00 0.00 O ATOM 190 OP2 DT A 7 3.157 12.311 2.897 1.00 0.00 O ATOM 191 O5' DT A 7 3.628 9.844 2.883 1.00 0.00 O ATOM 192 C5' DT A 7 3.289 8.472 2.975 1.00 0.00 C ATOM 193 C4' DT A 7 4.477 7.584 2.593 1.00 0.00 C ATOM 194 O4' DT A 7 5.060 8.029 1.387 1.00 0.00 O ATOM 195 C3' DT A 7 5.612 7.524 3.630 1.00 0.00 C ATOM 196 O3' DT A 7 5.742 6.171 4.024 1.00 0.00 O ATOM 197 C2' DT A 7 6.852 7.920 2.819 1.00 0.00 C ATOM 198 C1' DT A 7 6.389 7.565 1.404 1.00 0.00 C ATOM 199 N1 DT A 7 7.190 8.129 0.279 1.00 0.00 N ATOM 200 C2 DT A 7 7.968 7.249 -0.479 1.00 0.00 C ATOM 201 O2 DT A 7 8.175 6.081 -0.157 1.00 0.00 O ATOM 202 N3 DT A 7 8.520 7.757 -1.649 1.00 0.00 N ATOM 203 C4 DT A 7 8.370 9.051 -2.127 1.00 0.00 C ATOM 204 O4 DT A 7 8.904 9.382 -3.182 1.00 0.00 O ATOM 205 C5 DT A 7 7.557 9.907 -1.282 1.00 0.00 C ATOM 206 C7 DT A 7 7.289 11.344 -1.688 1.00 0.00 C ATOM 207 C6 DT A 7 7.014 9.431 -0.133 1.00 0.00 C ATOM 0 H5' DT A 7 2.445 8.258 2.319 1.00 0.00 H new ATOM 0 H5'' DT A 7 2.970 8.240 3.991 1.00 0.00 H new ATOM 0 H4' DT A 7 4.041 6.588 2.513 1.00 0.00 H new ATOM 0 H3' DT A 7 5.457 8.150 4.509 1.00 0.00 H new ATOM 0 H2' DT A 7 7.094 8.978 2.922 1.00 0.00 H new ATOM 0 H2'' DT A 7 7.738 7.360 3.117 1.00 0.00 H new ATOM 0 H1' DT A 7 6.508 6.497 1.224 1.00 0.00 H new ATOM 0 H3 DT A 7 9.088 7.120 -2.208 1.00 0.00 H new ATOM 0 H71 DT A 7 6.319 11.656 -1.302 1.00 0.00 H new ATOM 0 H72 DT A 7 8.067 11.989 -1.279 1.00 0.00 H new ATOM 0 H73 DT A 7 7.288 11.421 -2.775 1.00 0.00 H new ATOM 0 H6 DT A 7 6.423 10.096 0.479 1.00 0.00 H new ATOM 220 P DG A 8 6.158 5.693 5.509 1.00 0.00 P ATOM 221 OP1 DG A 8 6.202 6.855 6.425 1.00 0.00 O ATOM 222 OP2 DG A 8 7.323 4.789 5.395 1.00 0.00 O ATOM 223 O5' DG A 8 4.848 4.806 5.826 1.00 0.00 O ATOM 224 C5' DG A 8 3.701 5.316 6.487 1.00 0.00 C ATOM 225 C4' DG A 8 2.447 4.771 5.794 1.00 0.00 C ATOM 226 O4' DG A 8 2.581 4.744 4.386 1.00 0.00 O ATOM 227 C3' DG A 8 2.024 3.374 6.262 1.00 0.00 C ATOM 228 O3' DG A 8 0.955 3.434 7.194 1.00 0.00 O ATOM 229 C2' DG A 8 1.542 2.745 4.956 1.00 0.00 C ATOM 230 C1' DG A 8 1.611 3.843 3.900 1.00 0.00 C ATOM 231 N9 DG A 8 2.013 3.362 2.558 1.00 0.00 N ATOM 232 C8 DG A 8 3.208 2.789 2.213 1.00 0.00 C ATOM 233 N7 DG A 8 3.395 2.660 0.931 1.00 0.00 N ATOM 234 C5 DG A 8 2.238 3.190 0.374 1.00 0.00 C ATOM 235 C6 DG A 8 1.895 3.378 -0.999 1.00 0.00 C ATOM 236 O6 DG A 8 2.554 3.090 -1.994 1.00 0.00 O ATOM 237 N1 DG A 8 0.653 3.980 -1.158 1.00 0.00 N ATOM 238 C2 DG A 8 -0.174 4.345 -0.118 1.00 0.00 C ATOM 239 N2 DG A 8 -1.316 4.938 -0.469 1.00 0.00 N ATOM 240 N3 DG A 8 0.131 4.152 1.180 1.00 0.00 N ATOM 241 C4 DG A 8 1.363 3.591 1.360 1.00 0.00 C ATOM 0 H5' DG A 8 3.703 6.406 6.460 1.00 0.00 H new ATOM 0 H5'' DG A 8 3.709 5.023 7.537 1.00 0.00 H new ATOM 0 H4' DG A 8 1.667 5.475 6.085 1.00 0.00 H new ATOM 0 H3' DG A 8 2.821 2.829 6.768 1.00 0.00 H new ATOM 0 H2' DG A 8 2.169 1.898 4.678 1.00 0.00 H new ATOM 0 H2'' DG A 8 0.525 2.368 5.059 1.00 0.00 H new ATOM 0 H1' DG A 8 0.623 4.282 3.758 1.00 0.00 H new ATOM 0 H8 DG A 8 3.936 2.470 2.945 1.00 0.00 H new ATOM 0 H1 DG A 8 0.332 4.164 -2.108 1.00 0.00 H new ATOM 0 H21 DG A 8 -1.977 5.236 0.248 1.00 0.00 H new ATOM 0 H22 DG A 8 -1.528 5.094 -1.455 1.00 0.00 H new ATOM 253 P DT A 9 1.005 2.723 8.653 1.00 0.00 P ATOM 254 OP1 DT A 9 0.349 3.629 9.622 1.00 0.00 O ATOM 255 OP2 DT A 9 2.375 2.231 8.922 1.00 0.00 O ATOM 256 O5' DT A 9 0.044 1.446 8.434 1.00 0.00 O ATOM 257 C5' DT A 9 -1.352 1.595 8.258 1.00 0.00 C ATOM 258 C4' DT A 9 -1.958 0.302 7.706 1.00 0.00 C ATOM 259 O4' DT A 9 -1.259 -0.122 6.554 1.00 0.00 O ATOM 260 C3' DT A 9 -1.895 -0.903 8.644 1.00 0.00 C ATOM 261 O3' DT A 9 -2.925 -0.844 9.619 1.00 0.00 O ATOM 262 C2' DT A 9 -2.061 -2.053 7.648 1.00 0.00 C ATOM 263 C1' DT A 9 -1.663 -1.452 6.296 1.00 0.00 C ATOM 264 N1 DT A 9 -0.570 -2.216 5.635 1.00 0.00 N ATOM 265 C2 DT A 9 -0.768 -2.674 4.331 1.00 0.00 C ATOM 266 O2 DT A 9 -1.822 -2.528 3.715 1.00 0.00 O ATOM 267 N3 DT A 9 0.317 -3.290 3.721 1.00 0.00 N ATOM 268 C4 DT A 9 1.548 -3.539 4.311 1.00 0.00 C ATOM 269 O4 DT A 9 2.418 -4.140 3.686 1.00 0.00 O ATOM 270 C5 DT A 9 1.682 -3.012 5.659 1.00 0.00 C ATOM 271 C7 DT A 9 3.000 -3.163 6.394 1.00 0.00 C ATOM 272 C6 DT A 9 0.645 -2.376 6.262 1.00 0.00 C ATOM 0 H5' DT A 9 -1.553 2.420 7.575 1.00 0.00 H new ATOM 0 H5'' DT A 9 -1.821 1.847 9.209 1.00 0.00 H new ATOM 0 H4' DT A 9 -2.998 0.574 7.529 1.00 0.00 H new ATOM 0 H3' DT A 9 -0.988 -0.984 9.243 1.00 0.00 H new ATOM 0 H2' DT A 9 -1.425 -2.899 7.909 1.00 0.00 H new ATOM 0 H2'' DT A 9 -3.087 -2.419 7.633 1.00 0.00 H new ATOM 0 H1' DT A 9 -2.507 -1.491 5.607 1.00 0.00 H new ATOM 0 H3 DT A 9 0.198 -3.586 2.752 1.00 0.00 H new ATOM 0 H71 DT A 9 3.130 -2.328 7.083 1.00 0.00 H new ATOM 0 H72 DT A 9 3.000 -4.099 6.953 1.00 0.00 H new ATOM 0 H73 DT A 9 3.819 -3.171 5.675 1.00 0.00 H new ATOM 0 H6 DT A 9 0.777 -1.985 7.260 1.00 0.00 H new ATOM 285 P DG A 10 -3.286 -2.090 10.590 1.00 0.00 P ATOM 286 OP1 DG A 10 -3.983 -1.559 11.782 1.00 0.00 O ATOM 287 OP2 DG A 10 -2.076 -2.927 10.755 1.00 0.00 O ATOM 288 O5' DG A 10 -4.358 -2.921 9.713 1.00 0.00 O ATOM 289 C5' DG A 10 -5.609 -2.354 9.363 1.00 0.00 C ATOM 290 C4' DG A 10 -6.297 -3.149 8.247 1.00 0.00 C ATOM 291 O4' DG A 10 -5.369 -3.377 7.194 1.00 0.00 O ATOM 292 C3' DG A 10 -6.851 -4.513 8.678 1.00 0.00 C ATOM 293 O3' DG A 10 -8.054 -4.709 7.948 1.00 0.00 O ATOM 294 C2' DG A 10 -5.710 -5.436 8.260 1.00 0.00 C ATOM 295 C1' DG A 10 -5.252 -4.769 6.965 1.00 0.00 C ATOM 296 N9 DG A 10 -3.872 -5.137 6.559 1.00 0.00 N ATOM 297 C8 DG A 10 -2.790 -5.475 7.339 1.00 0.00 C ATOM 298 N7 DG A 10 -1.715 -5.775 6.665 1.00 0.00 N ATOM 299 C5 DG A 10 -2.103 -5.639 5.339 1.00 0.00 C ATOM 300 C6 DG A 10 -1.371 -5.891 4.138 1.00 0.00 C ATOM 301 O6 DG A 10 -0.213 -6.285 4.025 1.00 0.00 O ATOM 302 N1 DG A 10 -2.124 -5.642 2.992 1.00 0.00 N ATOM 303 C2 DG A 10 -3.440 -5.223 3.006 1.00 0.00 C ATOM 304 N2 DG A 10 -4.045 -5.081 1.825 1.00 0.00 N ATOM 305 N3 DG A 10 -4.137 -5.008 4.133 1.00 0.00 N ATOM 306 C4 DG A 10 -3.415 -5.233 5.264 1.00 0.00 C ATOM 0 H5' DG A 10 -5.464 -1.323 9.040 1.00 0.00 H new ATOM 0 H5'' DG A 10 -6.254 -2.325 10.241 1.00 0.00 H new ATOM 0 H4' DG A 10 -7.147 -2.540 7.939 1.00 0.00 H new ATOM 0 H3' DG A 10 -7.108 -4.657 9.727 1.00 0.00 H new ATOM 0 H2' DG A 10 -4.917 -5.474 9.007 1.00 0.00 H new ATOM 0 H2'' DG A 10 -6.046 -6.460 8.099 1.00 0.00 H new ATOM 0 H1' DG A 10 -5.870 -5.107 6.133 1.00 0.00 H new ATOM 0 H8 DG A 10 -2.828 -5.490 8.418 1.00 0.00 H new ATOM 0 H1 DG A 10 -1.675 -5.778 2.086 1.00 0.00 H new ATOM 0 H21 DG A 10 -5.017 -4.774 1.783 1.00 0.00 H new ATOM 0 H22 DG A 10 -3.536 -5.280 0.964 1.00 0.00 H new ATOM 318 P DG A 11 -8.861 -6.107 7.882 1.00 0.00 P ATOM 319 OP1 DG A 11 -10.308 -5.803 7.831 1.00 0.00 O ATOM 320 OP2 DG A 11 -8.338 -7.023 8.920 1.00 0.00 O ATOM 321 O5' DG A 11 -8.412 -6.655 6.431 1.00 0.00 O ATOM 322 C5' DG A 11 -8.779 -5.955 5.255 1.00 0.00 C ATOM 323 C4' DG A 11 -8.230 -6.647 4.006 1.00 0.00 C ATOM 324 O4' DG A 11 -6.815 -6.680 4.046 1.00 0.00 O ATOM 325 C3' DG A 11 -8.719 -8.097 3.859 1.00 0.00 C ATOM 326 O3' DG A 11 -9.300 -8.290 2.585 1.00 0.00 O ATOM 327 C2' DG A 11 -7.429 -8.904 3.955 1.00 0.00 C ATOM 328 C1' DG A 11 -6.414 -7.889 3.441 1.00 0.00 C ATOM 329 N9 DG A 11 -5.030 -8.244 3.820 1.00 0.00 N ATOM 330 C8 DG A 11 -4.489 -8.364 5.075 1.00 0.00 C ATOM 331 N7 DG A 11 -3.226 -8.682 5.085 1.00 0.00 N ATOM 332 C5 DG A 11 -2.899 -8.790 3.739 1.00 0.00 C ATOM 333 C6 DG A 11 -1.654 -9.110 3.119 1.00 0.00 C ATOM 334 O6 DG A 11 -0.574 -9.337 3.659 1.00 0.00 O ATOM 335 N1 DG A 11 -1.751 -9.152 1.731 1.00 0.00 N ATOM 336 C2 DG A 11 -2.907 -8.900 1.016 1.00 0.00 C ATOM 337 N2 DG A 11 -2.842 -9.039 -0.313 1.00 0.00 N ATOM 338 N3 DG A 11 -4.071 -8.567 1.596 1.00 0.00 N ATOM 339 C4 DG A 11 -4.001 -8.534 2.955 1.00 0.00 C ATOM 0 H5' DG A 11 -8.402 -4.934 5.304 1.00 0.00 H new ATOM 0 H5'' DG A 11 -9.865 -5.891 5.191 1.00 0.00 H new ATOM 0 H4' DG A 11 -8.594 -6.066 3.159 1.00 0.00 H new ATOM 0 H3' DG A 11 -9.470 -8.373 4.599 1.00 0.00 H new ATOM 0 H2' DG A 11 -7.215 -9.221 4.976 1.00 0.00 H new ATOM 0 H2'' DG A 11 -7.459 -9.805 3.342 1.00 0.00 H new ATOM 0 HO3' DG A 11 -9.606 -9.217 2.502 1.00 0.00 H new ATOM 0 H1' DG A 11 -6.399 -7.837 2.352 1.00 0.00 H new ATOM 0 H8 DG A 11 -5.061 -8.208 5.977 1.00 0.00 H new ATOM 0 H1 DG A 11 -0.909 -9.385 1.204 1.00 0.00 H new ATOM 0 H21 DG A 11 -3.668 -8.864 -0.885 1.00 0.00 H new ATOM 0 H22 DG A 11 -1.966 -9.320 -0.754 1.00 0.00 H new TER 352 DG A 11 ATOM 353 N THR B 1 -3.701 1.102 -1.596 1.00 0.00 N ATOM 354 CA THR B 1 -5.118 1.465 -1.517 1.00 0.00 C ATOM 355 C THR B 1 -5.763 0.871 -0.265 1.00 0.00 C ATOM 356 O THR B 1 -5.562 -0.306 0.012 1.00 0.00 O ATOM 357 CB THR B 1 -5.886 0.962 -2.758 1.00 0.00 C ATOM 358 OG1 THR B 1 -5.882 -0.466 -2.791 1.00 0.00 O ATOM 359 CG2 THR B 1 -5.288 1.428 -4.088 1.00 0.00 C ATOM 0 H3 THR B 1 -3.296 1.473 -2.479 1.00 0.00 H new ATOM 0 HA THR B 1 -5.172 2.553 -1.473 1.00 0.00 H new ATOM 0 HB THR B 1 -6.889 1.378 -2.659 1.00 0.00 H new ATOM 0 HG21 THR B 1 -5.883 1.034 -4.912 1.00 0.00 H new ATOM 0 HG22 THR B 1 -5.291 2.517 -4.127 1.00 0.00 H new ATOM 0 HG23 THR B 1 -4.264 1.065 -4.174 1.00 0.00 H new HETATM 366 N DVA B 2 -6.587 1.647 0.450 1.00 0.00 N HETATM 367 CA DVA B 2 -7.483 1.147 1.488 1.00 0.00 C HETATM 368 CB DVA B 2 -8.860 1.820 1.325 1.00 0.00 C HETATM 369 CG1 DVA B 2 -9.854 1.303 2.372 1.00 0.00 C HETATM 370 CG2 DVA B 2 -9.452 1.555 -0.067 1.00 0.00 C HETATM 371 C DVA B 2 -6.886 1.422 2.878 1.00 0.00 C HETATM 372 O DVA B 2 -6.875 2.577 3.301 1.00 0.00 O HETATM 0 HG23 DVA B 2 -8.781 1.951 -0.829 1.00 0.00 H new HETATM 0 HG22 DVA B 2 -9.573 0.482 -0.213 1.00 0.00 H new HETATM 0 HG21 DVA B 2 -10.423 2.044 -0.148 1.00 0.00 H new HETATM 0 HG13 DVA B 2 -9.977 0.226 2.257 1.00 0.00 H new HETATM 0 HG12 DVA B 2 -9.476 1.520 3.371 1.00 0.00 H new HETATM 0 HG11 DVA B 2 -10.817 1.795 2.234 1.00 0.00 H new HETATM 0 HB DVA B 2 -8.701 2.890 1.458 1.00 0.00 H new HETATM 0 HA DVA B 2 -7.605 0.068 1.390 1.00 0.00 H new HETATM 0 H DVA B 2 -6.922 2.333 -0.226 1.00 0.00 H new ATOM 382 N PRO B 3 -6.402 0.406 3.616 1.00 0.00 N ATOM 383 CA PRO B 3 -6.318 -1.001 3.239 1.00 0.00 C ATOM 384 C PRO B 3 -7.700 -1.675 3.284 1.00 0.00 C ATOM 385 O PRO B 3 -8.528 -1.252 4.091 1.00 0.00 O ATOM 386 CB PRO B 3 -5.379 -1.631 4.270 1.00 0.00 C ATOM 387 CG PRO B 3 -5.641 -0.793 5.520 1.00 0.00 C ATOM 388 CD PRO B 3 -5.847 0.605 4.945 1.00 0.00 C ATOM 0 HA PRO B 3 -5.955 -1.122 2.219 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -5.606 -2.684 4.434 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -4.337 -1.575 3.956 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -6.519 -1.141 6.065 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -4.801 -0.826 6.214 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -6.524 1.189 5.569 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -4.905 1.152 4.898 1.00 0.00 H new HETATM 396 N SAR B 4 -7.993 -2.700 2.453 1.00 0.00 N HETATM 397 CA SAR B 4 -7.098 -3.235 1.409 1.00 0.00 C HETATM 398 C SAR B 4 -7.477 -2.684 0.023 1.00 0.00 C HETATM 399 O SAR B 4 -8.487 -1.992 -0.083 1.00 0.00 O HETATM 400 CN SAR B 4 -9.350 -3.251 2.505 1.00 0.00 C HETATM 0 HN3 SAR B 4 -9.856 -3.062 1.558 1.00 0.00 H new HETATM 0 HN2 SAR B 4 -9.300 -4.325 2.682 1.00 0.00 H new HETATM 0 HN1 SAR B 4 -9.905 -2.776 3.314 1.00 0.00 H new HETATM 0 HA3 SAR B 4 -6.066 -2.971 1.639 1.00 0.00 H new HETATM 0 HA2 SAR B 4 -7.154 -4.324 1.399 1.00 0.00 H new HETATM 406 N MVA B 5 -6.703 -2.995 -1.039 1.00 0.00 N HETATM 407 CN MVA B 5 -5.490 -3.799 -0.888 1.00 0.00 C HETATM 408 CA MVA B 5 -7.056 -2.582 -2.409 1.00 0.00 C HETATM 409 CB MVA B 5 -8.348 -3.282 -2.891 1.00 0.00 C HETATM 410 CG1 MVA B 5 -8.629 -2.979 -4.370 1.00 0.00 C HETATM 411 CG2 MVA B 5 -8.237 -4.805 -2.731 1.00 0.00 C HETATM 412 C MVA B 5 -7.100 -1.053 -2.537 1.00 0.00 C HETATM 413 O MVA B 5 -8.182 -0.475 -2.428 1.00 0.00 O HETATM 0 HG23 MVA B 5 -7.398 -5.173 -3.322 1.00 0.00 H new HETATM 0 HG22 MVA B 5 -8.077 -5.050 -1.681 1.00 0.00 H new HETATM 0 HG21 MVA B 5 -9.158 -5.275 -3.077 1.00 0.00 H new HETATM 0 HG13 MVA B 5 -8.747 -1.904 -4.505 1.00 0.00 H new HETATM 0 HG12 MVA B 5 -7.796 -3.332 -4.978 1.00 0.00 H new HETATM 0 HG11 MVA B 5 -9.544 -3.486 -4.678 1.00 0.00 H new HETATM 0 HN3 MVA B 5 -5.592 -4.722 -1.458 1.00 0.00 H new HETATM 0 HN2 MVA B 5 -4.633 -3.237 -1.258 1.00 0.00 H new HETATM 0 HN1 MVA B 5 -5.340 -4.038 0.165 1.00 0.00 H new HETATM 0 HB MVA B 5 -9.162 -2.898 -2.276 1.00 0.00 H new HETATM 0 HA MVA B 5 -6.267 -2.914 -3.084 1.00 0.00 H new HETATM 425 C1 PXZ B 6 -1.486 1.388 -2.431 1.00 0.00 C HETATM 426 C PXZ B 6 -2.778 1.889 -2.173 1.00 0.00 C HETATM 427 O PXZ B 6 -3.047 3.024 -2.561 1.00 0.00 O HETATM 428 C2 PXZ B 6 -1.036 1.263 -3.764 1.00 0.00 C HETATM 429 N2 PXZ B 6 -1.787 1.682 -4.790 1.00 0.00 N HETATM 430 C3 PXZ B 6 0.200 0.664 -4.046 1.00 0.00 C HETATM 431 O3 PXZ B 6 0.611 0.488 -5.404 1.00 0.00 O HETATM 432 C4 PXZ B 6 1.043 0.255 -3.005 1.00 0.00 C HETATM 433 O5 PXZ B 6 1.434 -0.006 -0.683 1.00 0.00 O HETATM 434 C6 PXZ B 6 1.838 -0.415 1.614 1.00 0.00 C HETATM 435 C7 PXZ B 6 1.382 -0.393 2.937 1.00 0.00 C HETATM 436 C8 PXZ B 6 0.117 0.130 3.234 1.00 0.00 C HETATM 437 C9 PXZ B 6 -0.668 0.748 2.243 1.00 0.00 C HETATM 438 C' PXZ B 6 -1.896 1.334 2.621 1.00 0.00 C HETATM 439 O' PXZ B 6 -2.585 0.725 3.440 1.00 0.00 O HETATM 440 N10 PXZ B 6 -1.018 1.122 -0.098 1.00 0.00 N HETATM 441 C11 PXZ B 6 -0.640 0.976 -1.381 1.00 0.00 C HETATM 442 C12 PXZ B 6 0.620 0.405 -1.673 1.00 0.00 C HETATM 443 C13 PXZ B 6 1.020 0.102 0.593 1.00 0.00 C HETATM 444 C14 PXZ B 6 -0.229 0.693 0.902 1.00 0.00 C HETATM 445 C15 PXZ B 6 2.402 -0.338 -3.326 1.00 0.00 C HETATM 446 C16 PXZ B 6 3.189 -1.027 1.292 1.00 0.00 C HETATM 0 HN22 PXZ B 6 -1.445 1.583 -5.746 1.00 0.00 H new HETATM 0 HN21 PXZ B 6 -2.701 2.100 -4.616 1.00 0.00 H new HETATM 0 H163 PXZ B 6 3.969 -0.491 1.832 1.00 0.00 H new HETATM 0 H162 PXZ B 6 3.194 -2.075 1.592 1.00 0.00 H new HETATM 0 H161 PXZ B 6 3.375 -0.955 0.220 1.00 0.00 H new HETATM 0 H153 PXZ B 6 2.274 -1.235 -3.932 1.00 0.00 H new HETATM 0 H152 PXZ B 6 2.996 0.391 -3.878 1.00 0.00 H new HETATM 0 H151 PXZ B 6 2.914 -0.596 -2.399 1.00 0.00 H new HETATM 0 H8 PXZ B 6 -0.266 0.057 4.252 1.00 0.00 H new HETATM 0 H7 PXZ B 6 2.012 -0.783 3.737 1.00 0.00 H new ATOM 457 N THR B 7 -2.280 2.533 2.146 1.00 0.00 N ATOM 458 CA THR B 7 -3.516 3.196 2.581 1.00 0.00 C ATOM 459 C THR B 7 -4.248 3.900 1.436 1.00 0.00 C ATOM 460 O THR B 7 -3.739 3.991 0.325 1.00 0.00 O ATOM 461 CB THR B 7 -3.253 4.210 3.716 1.00 0.00 C ATOM 462 OG1 THR B 7 -2.554 5.357 3.220 1.00 0.00 O ATOM 463 CG2 THR B 7 -2.484 3.601 4.893 1.00 0.00 C ATOM 0 HA THR B 7 -4.157 2.397 2.953 1.00 0.00 H new ATOM 0 HB THR B 7 -4.231 4.512 4.090 1.00 0.00 H new ATOM 0 HG21 THR B 7 -2.329 4.361 5.659 1.00 0.00 H new ATOM 0 HG22 THR B 7 -3.057 2.774 5.313 1.00 0.00 H new ATOM 0 HG23 THR B 7 -1.518 3.234 4.546 1.00 0.00 H new HETATM 470 N DVA B 8 -5.434 4.439 1.748 1.00 0.00 N HETATM 471 CA DVA B 8 -6.096 5.524 1.026 1.00 0.00 C HETATM 472 CB DVA B 8 -7.346 5.972 1.811 1.00 0.00 C HETATM 473 CG1 DVA B 8 -8.035 7.155 1.116 1.00 0.00 C HETATM 474 CG2 DVA B 8 -6.991 6.403 3.242 1.00 0.00 C HETATM 475 C DVA B 8 -6.450 5.106 -0.408 1.00 0.00 C HETATM 476 O DVA B 8 -7.331 4.268 -0.585 1.00 0.00 O HETATM 0 HG23 DVA B 8 -6.534 5.567 3.771 1.00 0.00 H new HETATM 0 HG22 DVA B 8 -6.290 7.237 3.207 1.00 0.00 H new HETATM 0 HG21 DVA B 8 -7.897 6.712 3.764 1.00 0.00 H new HETATM 0 HG13 DVA B 8 -7.342 7.994 1.053 1.00 0.00 H new HETATM 0 HG12 DVA B 8 -8.340 6.860 0.112 1.00 0.00 H new HETATM 0 HG11 DVA B 8 -8.913 7.452 1.689 1.00 0.00 H new HETATM 0 HB DVA B 8 -8.016 5.113 1.845 1.00 0.00 H new HETATM 0 HA DVA B 8 -5.411 6.368 0.946 1.00 0.00 H new HETATM 0 H DVA B 8 -5.821 4.102 2.629 1.00 0.00 H new ATOM 486 N PRO B 9 -5.799 5.673 -1.439 1.00 0.00 N ATOM 487 CA PRO B 9 -4.668 6.590 -1.370 1.00 0.00 C ATOM 488 C PRO B 9 -5.137 8.040 -1.171 1.00 0.00 C ATOM 489 O PRO B 9 -6.286 8.345 -1.489 1.00 0.00 O ATOM 490 CB PRO B 9 -3.982 6.445 -2.727 1.00 0.00 C ATOM 491 CG PRO B 9 -5.169 6.229 -3.661 1.00 0.00 C ATOM 492 CD PRO B 9 -6.100 5.355 -2.823 1.00 0.00 C ATOM 0 HA PRO B 9 -4.011 6.362 -0.531 1.00 0.00 H new ATOM 0 HB2 PRO B 9 -3.411 7.334 -2.992 1.00 0.00 H new ATOM 0 HB3 PRO B 9 -3.289 5.604 -2.746 1.00 0.00 H new ATOM 0 HG2 PRO B 9 -5.641 7.171 -3.941 1.00 0.00 H new ATOM 0 HG3 PRO B 9 -4.872 5.734 -4.586 1.00 0.00 H new ATOM 0 HD2 PRO B 9 -7.145 5.563 -3.054 1.00 0.00 H new ATOM 0 HD3 PRO B 9 -5.933 4.297 -3.027 1.00 0.00 H new HETATM 500 N SAR B 10 -4.279 8.952 -0.669 1.00 0.00 N HETATM 501 CA SAR B 10 -2.953 8.611 -0.126 1.00 0.00 C HETATM 502 C SAR B 10 -3.071 8.276 1.368 1.00 0.00 C HETATM 503 O SAR B 10 -4.172 8.352 1.911 1.00 0.00 O HETATM 504 CN SAR B 10 -4.750 10.328 -0.494 1.00 0.00 C HETATM 0 HN3 SAR B 10 -4.807 10.561 0.569 1.00 0.00 H new HETATM 0 HN2 SAR B 10 -4.056 11.015 -0.979 1.00 0.00 H new HETATM 0 HN1 SAR B 10 -5.738 10.434 -0.942 1.00 0.00 H new HETATM 0 HA3 SAR B 10 -2.537 7.761 -0.667 1.00 0.00 H new HETATM 0 HA2 SAR B 10 -2.267 9.446 -0.267 1.00 0.00 H new HETATM 510 N MVA B 11 -1.967 7.939 2.064 1.00 0.00 N HETATM 511 CN MVA B 11 -0.637 7.756 1.482 1.00 0.00 C HETATM 512 CA MVA B 11 -2.018 7.758 3.518 1.00 0.00 C HETATM 513 CB MVA B 11 -2.439 9.053 4.256 1.00 0.00 C HETATM 514 CG1 MVA B 11 -1.994 8.988 5.727 1.00 0.00 C HETATM 515 CG2 MVA B 11 -1.800 10.311 3.645 1.00 0.00 C HETATM 516 C MVA B 11 -2.869 6.526 3.882 1.00 0.00 C HETATM 517 O MVA B 11 -3.773 6.658 4.708 1.00 0.00 O HETATM 0 HG23 MVA B 11 -0.714 10.231 3.700 1.00 0.00 H new HETATM 0 HG22 MVA B 11 -2.105 10.404 2.603 1.00 0.00 H new HETATM 0 HG21 MVA B 11 -2.127 11.191 4.199 1.00 0.00 H new HETATM 0 HG13 MVA B 11 -2.462 8.131 6.211 1.00 0.00 H new HETATM 0 HG12 MVA B 11 -0.910 8.884 5.775 1.00 0.00 H new HETATM 0 HG11 MVA B 11 -2.294 9.903 6.239 1.00 0.00 H new HETATM 0 HN3 MVA B 11 0.053 8.478 1.918 1.00 0.00 H new HETATM 0 HN2 MVA B 11 -0.285 6.746 1.690 1.00 0.00 H new HETATM 0 HN1 MVA B 11 -0.688 7.907 0.404 1.00 0.00 H new HETATM 0 HB MVA B 11 -3.523 9.120 4.164 1.00 0.00 H new HETATM 0 HA MVA B 11 -1.009 7.553 3.875 1.00 0.00 H new TER 529 MVA B 11