USER MOD reduce.3.24.130724 H: found=0, std=0, add=213, rem=0, adj=2 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+ 180:sc= -0.0243 (180deg=-0.0243) USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 2.889 -14.140 -5.785 1.00 0.00 O ATOM 2 C5' DC A 1 3.053 -13.898 -4.404 1.00 0.00 C ATOM 3 C4' DC A 1 1.907 -13.028 -3.881 1.00 0.00 C ATOM 4 O4' DC A 1 2.081 -12.741 -2.503 1.00 0.00 O ATOM 5 C3' DC A 1 1.806 -11.671 -4.598 1.00 0.00 C ATOM 6 O3' DC A 1 0.751 -11.676 -5.547 1.00 0.00 O ATOM 7 C2' DC A 1 1.535 -10.695 -3.454 1.00 0.00 C ATOM 8 C1' DC A 1 1.282 -11.604 -2.264 1.00 0.00 C ATOM 9 N1 DC A 1 1.551 -10.907 -0.977 1.00 0.00 N ATOM 10 C2 DC A 1 0.472 -10.357 -0.284 1.00 0.00 C ATOM 11 O2 DC A 1 -0.661 -10.348 -0.761 1.00 0.00 O ATOM 12 N3 DC A 1 0.698 -9.803 0.939 1.00 0.00 N ATOM 13 C4 DC A 1 1.927 -9.766 1.472 1.00 0.00 C ATOM 14 N4 DC A 1 2.070 -9.254 2.699 1.00 0.00 N ATOM 15 C5 DC A 1 3.061 -10.285 0.758 1.00 0.00 C ATOM 16 C6 DC A 1 2.820 -10.845 -0.453 1.00 0.00 C ATOM 0 H5' DC A 1 4.007 -13.402 -4.225 1.00 0.00 H new ATOM 0 H5'' DC A 1 3.078 -14.843 -3.862 1.00 0.00 H new ATOM 0 H4' DC A 1 1.002 -13.608 -4.065 1.00 0.00 H new ATOM 0 H3' DC A 1 2.699 -11.413 -5.168 1.00 0.00 H new ATOM 0 H2' DC A 1 2.384 -10.034 -3.281 1.00 0.00 H new ATOM 0 H2'' DC A 1 0.674 -10.060 -3.664 1.00 0.00 H new ATOM 0 HO5' DC A 1 3.628 -14.696 -6.110 1.00 0.00 H new ATOM 0 H1' DC A 1 0.238 -11.902 -2.163 1.00 0.00 H new ATOM 0 H41 DC A 1 2.994 -9.213 3.130 1.00 0.00 H new ATOM 0 H42 DC A 1 1.256 -8.905 3.204 1.00 0.00 H new ATOM 0 H5 DC A 1 4.059 -10.231 1.167 1.00 0.00 H new ATOM 0 H6 DC A 1 3.645 -11.252 -1.019 1.00 0.00 H new ATOM 29 P DC A 2 0.509 -10.451 -6.584 1.00 0.00 P ATOM 30 OP1 DC A 2 -0.418 -10.931 -7.632 1.00 0.00 O ATOM 31 OP2 DC A 2 1.832 -9.913 -6.973 1.00 0.00 O ATOM 32 O5' DC A 2 -0.255 -9.313 -5.722 1.00 0.00 O ATOM 33 C5' DC A 2 -1.602 -9.473 -5.314 1.00 0.00 C ATOM 34 C4' DC A 2 -2.111 -8.269 -4.508 1.00 0.00 C ATOM 35 O4' DC A 2 -1.435 -8.088 -3.280 1.00 0.00 O ATOM 36 C3' DC A 2 -2.013 -6.922 -5.238 1.00 0.00 C ATOM 37 O3' DC A 2 -3.263 -6.635 -5.849 1.00 0.00 O ATOM 38 C2' DC A 2 -1.656 -5.934 -4.115 1.00 0.00 C ATOM 39 C1' DC A 2 -1.793 -6.789 -2.853 1.00 0.00 C ATOM 40 N1 DC A 2 -0.956 -6.369 -1.688 1.00 0.00 N ATOM 41 C2 DC A 2 -1.585 -6.178 -0.454 1.00 0.00 C ATOM 42 O2 DC A 2 -2.798 -6.008 -0.379 1.00 0.00 O ATOM 43 N3 DC A 2 -0.830 -6.191 0.682 1.00 0.00 N ATOM 44 C4 DC A 2 0.502 -6.335 0.622 1.00 0.00 C ATOM 45 N4 DC A 2 1.192 -6.394 1.765 1.00 0.00 N ATOM 46 C5 DC A 2 1.185 -6.388 -0.640 1.00 0.00 C ATOM 47 C6 DC A 2 0.417 -6.399 -1.756 1.00 0.00 C ATOM 0 H5' DC A 2 -1.692 -10.376 -4.711 1.00 0.00 H new ATOM 0 H5'' DC A 2 -2.232 -9.612 -6.193 1.00 0.00 H new ATOM 0 H4' DC A 2 -3.157 -8.534 -4.351 1.00 0.00 H new ATOM 0 H3' DC A 2 -1.277 -6.888 -6.041 1.00 0.00 H new ATOM 0 H2' DC A 2 -0.646 -5.540 -4.229 1.00 0.00 H new ATOM 0 H2'' DC A 2 -2.332 -5.079 -4.099 1.00 0.00 H new ATOM 0 H1' DC A 2 -2.807 -6.700 -2.463 1.00 0.00 H new ATOM 0 H41 DC A 2 2.206 -6.503 1.744 1.00 0.00 H new ATOM 0 H42 DC A 2 0.705 -6.330 2.659 1.00 0.00 H new ATOM 0 H5 DC A 2 2.263 -6.418 -0.697 1.00 0.00 H new ATOM 0 H6 DC A 2 0.895 -6.432 -2.724 1.00 0.00 H new ATOM 59 P DG A 3 -3.389 -5.700 -7.163 1.00 0.00 P ATOM 60 OP1 DG A 3 -4.767 -5.841 -7.685 1.00 0.00 O ATOM 61 OP2 DG A 3 -2.241 -5.982 -8.053 1.00 0.00 O ATOM 62 O5' DG A 3 -3.220 -4.204 -6.592 1.00 0.00 O ATOM 63 C5' DG A 3 -4.339 -3.414 -6.233 1.00 0.00 C ATOM 64 C4' DG A 3 -3.860 -2.106 -5.599 1.00 0.00 C ATOM 65 O4' DG A 3 -3.239 -2.420 -4.360 1.00 0.00 O ATOM 66 C3' DG A 3 -2.832 -1.380 -6.488 1.00 0.00 C ATOM 67 O3' DG A 3 -3.150 -0.007 -6.671 1.00 0.00 O ATOM 68 C2' DG A 3 -1.559 -1.556 -5.667 1.00 0.00 C ATOM 69 C1' DG A 3 -2.097 -1.608 -4.236 1.00 0.00 C ATOM 70 N9 DG A 3 -1.129 -2.149 -3.244 1.00 0.00 N ATOM 71 C8 DG A 3 0.094 -2.739 -3.468 1.00 0.00 C ATOM 72 N7 DG A 3 0.716 -3.122 -2.391 1.00 0.00 N ATOM 73 C5 DG A 3 -0.140 -2.754 -1.364 1.00 0.00 C ATOM 74 C6 DG A 3 0.026 -2.898 0.047 1.00 0.00 C ATOM 75 O6 DG A 3 0.969 -3.375 0.672 1.00 0.00 O ATOM 76 N1 DG A 3 -1.059 -2.406 0.751 1.00 0.00 N ATOM 77 C2 DG A 3 -2.151 -1.794 0.184 1.00 0.00 C ATOM 78 N2 DG A 3 -3.045 -1.338 1.062 1.00 0.00 N ATOM 79 N3 DG A 3 -2.309 -1.626 -1.144 1.00 0.00 N ATOM 80 C4 DG A 3 -1.270 -2.144 -1.868 1.00 0.00 C ATOM 0 H5' DG A 3 -4.972 -3.959 -5.533 1.00 0.00 H new ATOM 0 H5'' DG A 3 -4.946 -3.203 -7.114 1.00 0.00 H new ATOM 0 H4' DG A 3 -4.720 -1.449 -5.469 1.00 0.00 H new ATOM 0 H3' DG A 3 -2.774 -1.771 -7.504 1.00 0.00 H new ATOM 0 H2' DG A 3 -1.026 -2.468 -5.934 1.00 0.00 H new ATOM 0 H2'' DG A 3 -0.865 -0.728 -5.810 1.00 0.00 H new ATOM 0 H1' DG A 3 -2.306 -0.613 -3.844 1.00 0.00 H new ATOM 0 H8 DG A 3 0.504 -2.873 -4.458 1.00 0.00 H new ATOM 0 H1 DG A 3 -1.047 -2.505 1.766 1.00 0.00 H new ATOM 0 H21 DG A 3 -3.889 -0.869 0.733 1.00 0.00 H new ATOM 0 H22 DG A 3 -2.885 -1.459 2.062 1.00 0.00 H new ATOM 92 P DT A 4 -2.571 0.829 -7.940 1.00 0.00 P ATOM 93 OP1 DT A 4 -3.403 0.511 -9.122 1.00 0.00 O ATOM 94 OP2 DT A 4 -1.107 0.623 -7.995 1.00 0.00 O ATOM 95 O5' DT A 4 -2.808 2.379 -7.556 1.00 0.00 O ATOM 96 C5' DT A 4 -4.104 2.931 -7.420 1.00 0.00 C ATOM 97 C4' DT A 4 -4.045 4.303 -6.731 1.00 0.00 C ATOM 98 O4' DT A 4 -3.028 4.258 -5.738 1.00 0.00 O ATOM 99 C3' DT A 4 -3.730 5.491 -7.654 1.00 0.00 C ATOM 100 O3' DT A 4 -4.341 6.669 -7.148 1.00 0.00 O ATOM 101 C2' DT A 4 -2.212 5.540 -7.566 1.00 0.00 C ATOM 102 C1' DT A 4 -1.962 5.116 -6.114 1.00 0.00 C ATOM 103 N1 DT A 4 -0.619 4.508 -5.846 1.00 0.00 N ATOM 104 C2 DT A 4 -0.137 4.557 -4.534 1.00 0.00 C ATOM 105 O2 DT A 4 -0.771 5.027 -3.591 1.00 0.00 O ATOM 106 N3 DT A 4 1.126 4.020 -4.319 1.00 0.00 N ATOM 107 C4 DT A 4 1.937 3.420 -5.268 1.00 0.00 C ATOM 108 O4 DT A 4 3.056 3.017 -4.960 1.00 0.00 O ATOM 109 C5 DT A 4 1.330 3.312 -6.577 1.00 0.00 C ATOM 110 C7 DT A 4 2.063 2.592 -7.693 1.00 0.00 C ATOM 111 C6 DT A 4 0.106 3.844 -6.818 1.00 0.00 C ATOM 0 H5' DT A 4 -4.733 2.255 -6.840 1.00 0.00 H new ATOM 0 H5'' DT A 4 -4.566 3.032 -8.402 1.00 0.00 H new ATOM 0 H4' DT A 4 -5.045 4.475 -6.333 1.00 0.00 H new ATOM 0 H3' DT A 4 -4.096 5.402 -8.677 1.00 0.00 H new ATOM 0 H2' DT A 4 -1.740 4.861 -8.276 1.00 0.00 H new ATOM 0 H2'' DT A 4 -1.823 6.537 -7.772 1.00 0.00 H new ATOM 0 H1' DT A 4 -1.940 6.015 -5.498 1.00 0.00 H new ATOM 0 H3 DT A 4 1.492 4.073 -3.368 1.00 0.00 H new ATOM 0 H71 DT A 4 1.339 2.144 -8.374 1.00 0.00 H new ATOM 0 H72 DT A 4 2.683 3.303 -8.239 1.00 0.00 H new ATOM 0 H73 DT A 4 2.695 1.811 -7.269 1.00 0.00 H new ATOM 0 H6 DT A 4 -0.318 3.745 -7.806 1.00 0.00 H new ATOM 124 P DT A 5 -4.154 8.124 -7.841 1.00 0.00 P ATOM 125 OP1 DT A 5 -5.453 8.831 -7.781 1.00 0.00 O ATOM 126 OP2 DT A 5 -3.473 7.950 -9.144 1.00 0.00 O ATOM 127 O5' DT A 5 -3.133 8.854 -6.823 1.00 0.00 O ATOM 128 C5' DT A 5 -3.599 9.347 -5.582 1.00 0.00 C ATOM 129 C4' DT A 5 -2.465 9.589 -4.585 1.00 0.00 C ATOM 130 O4' DT A 5 -1.599 8.467 -4.493 1.00 0.00 O ATOM 131 C3' DT A 5 -1.590 10.831 -4.843 1.00 0.00 C ATOM 132 O3' DT A 5 -1.860 11.762 -3.800 1.00 0.00 O ATOM 133 C2' DT A 5 -0.181 10.227 -4.818 1.00 0.00 C ATOM 134 C1' DT A 5 -0.396 8.975 -3.971 1.00 0.00 C ATOM 135 N1 DT A 5 0.721 7.985 -3.987 1.00 0.00 N ATOM 136 C2 DT A 5 1.013 7.318 -2.794 1.00 0.00 C ATOM 137 O2 DT A 5 0.317 7.402 -1.784 1.00 0.00 O ATOM 138 N3 DT A 5 2.148 6.521 -2.793 1.00 0.00 N ATOM 139 C4 DT A 5 3.001 6.316 -3.868 1.00 0.00 C ATOM 140 O4 DT A 5 4.026 5.655 -3.724 1.00 0.00 O ATOM 141 C5 DT A 5 2.557 6.934 -5.104 1.00 0.00 C ATOM 142 C7 DT A 5 3.338 6.701 -6.383 1.00 0.00 C ATOM 143 C6 DT A 5 1.460 7.733 -5.123 1.00 0.00 C ATOM 0 H5' DT A 5 -4.308 8.637 -5.156 1.00 0.00 H new ATOM 0 H5'' DT A 5 -4.140 10.279 -5.745 1.00 0.00 H new ATOM 0 H4' DT A 5 -3.003 9.765 -3.654 1.00 0.00 H new ATOM 0 H3' DT A 5 -1.753 11.383 -5.769 1.00 0.00 H new ATOM 0 H2' DT A 5 0.179 9.987 -5.818 1.00 0.00 H new ATOM 0 H2'' DT A 5 0.547 10.904 -4.371 1.00 0.00 H new ATOM 0 H1' DT A 5 -0.434 9.207 -2.907 1.00 0.00 H new ATOM 0 H3 DT A 5 2.377 6.042 -1.922 1.00 0.00 H new ATOM 0 H71 DT A 5 2.661 6.747 -7.236 1.00 0.00 H new ATOM 0 H72 DT A 5 4.105 7.469 -6.486 1.00 0.00 H new ATOM 0 H73 DT A 5 3.810 5.719 -6.347 1.00 0.00 H new ATOM 0 H6 DT A 5 1.157 8.185 -6.056 1.00 0.00 H new ATOM 156 P DT A 6 -0.917 13.026 -3.424 1.00 0.00 P ATOM 157 OP1 DT A 6 -1.760 14.048 -2.765 1.00 0.00 O ATOM 158 OP2 DT A 6 -0.106 13.390 -4.607 1.00 0.00 O ATOM 159 O5' DT A 6 0.057 12.383 -2.305 1.00 0.00 O ATOM 160 C5' DT A 6 -0.477 11.849 -1.105 1.00 0.00 C ATOM 161 C4' DT A 6 0.503 10.885 -0.426 1.00 0.00 C ATOM 162 O4' DT A 6 1.267 10.188 -1.399 1.00 0.00 O ATOM 163 C3' DT A 6 1.489 11.513 0.574 1.00 0.00 C ATOM 164 O3' DT A 6 1.373 10.783 1.790 1.00 0.00 O ATOM 165 C2' DT A 6 2.828 11.299 -0.122 1.00 0.00 C ATOM 166 C1' DT A 6 2.569 10.004 -0.886 1.00 0.00 C ATOM 167 N1 DT A 6 3.548 9.778 -1.987 1.00 0.00 N ATOM 168 C2 DT A 6 4.308 8.607 -1.991 1.00 0.00 C ATOM 169 O2 DT A 6 4.205 7.727 -1.142 1.00 0.00 O ATOM 170 N3 DT A 6 5.194 8.446 -3.048 1.00 0.00 N ATOM 171 C4 DT A 6 5.352 9.316 -4.116 1.00 0.00 C ATOM 172 O4 DT A 6 6.149 9.050 -5.012 1.00 0.00 O ATOM 173 C5 DT A 6 4.508 10.496 -4.055 1.00 0.00 C ATOM 174 C7 DT A 6 4.562 11.514 -5.177 1.00 0.00 C ATOM 175 C6 DT A 6 3.654 10.683 -3.017 1.00 0.00 C ATOM 0 H5' DT A 6 -1.409 11.327 -1.322 1.00 0.00 H new ATOM 0 H5'' DT A 6 -0.719 12.663 -0.421 1.00 0.00 H new ATOM 0 H4' DT A 6 -0.147 10.227 0.150 1.00 0.00 H new ATOM 0 H3' DT A 6 1.335 12.563 0.823 1.00 0.00 H new ATOM 0 H2' DT A 6 3.081 12.124 -0.787 1.00 0.00 H new ATOM 0 H2'' DT A 6 3.649 11.199 0.589 1.00 0.00 H new ATOM 0 H1' DT A 6 2.671 9.126 -0.248 1.00 0.00 H new ATOM 0 H3 DT A 6 5.782 7.612 -3.038 1.00 0.00 H new ATOM 0 H71 DT A 6 3.590 11.997 -5.277 1.00 0.00 H new ATOM 0 H72 DT A 6 5.319 12.265 -4.951 1.00 0.00 H new ATOM 0 H73 DT A 6 4.816 11.013 -6.111 1.00 0.00 H new ATOM 0 H6 DT A 6 3.038 11.570 -2.999 1.00 0.00 H new ATOM 188 P DT A 7 2.313 11.048 3.084 1.00 0.00 P ATOM 189 OP1 DT A 7 1.526 10.729 4.295 1.00 0.00 O ATOM 190 OP2 DT A 7 2.942 12.381 2.946 1.00 0.00 O ATOM 191 O5' DT A 7 3.462 9.924 2.924 1.00 0.00 O ATOM 192 C5' DT A 7 3.146 8.545 2.996 1.00 0.00 C ATOM 193 C4' DT A 7 4.351 7.680 2.620 1.00 0.00 C ATOM 194 O4' DT A 7 4.941 8.150 1.426 1.00 0.00 O ATOM 195 C3' DT A 7 5.477 7.618 3.667 1.00 0.00 C ATOM 196 O3' DT A 7 5.624 6.261 4.042 1.00 0.00 O ATOM 197 C2' DT A 7 6.722 8.043 2.878 1.00 0.00 C ATOM 198 C1' DT A 7 6.279 7.711 1.451 1.00 0.00 C ATOM 199 N1 DT A 7 7.082 8.319 0.349 1.00 0.00 N ATOM 200 C2 DT A 7 7.878 7.472 -0.427 1.00 0.00 C ATOM 201 O2 DT A 7 8.106 6.301 -0.131 1.00 0.00 O ATOM 202 N3 DT A 7 8.422 8.017 -1.583 1.00 0.00 N ATOM 203 C4 DT A 7 8.249 9.319 -2.031 1.00 0.00 C ATOM 204 O4 DT A 7 8.770 9.684 -3.082 1.00 0.00 O ATOM 205 C5 DT A 7 7.430 10.144 -1.162 1.00 0.00 C ATOM 206 C7 DT A 7 7.151 11.587 -1.539 1.00 0.00 C ATOM 207 C6 DT A 7 6.893 9.631 -0.026 1.00 0.00 C ATOM 0 H5' DT A 7 2.314 8.325 2.327 1.00 0.00 H new ATOM 0 H5'' DT A 7 2.818 8.297 4.005 1.00 0.00 H new ATOM 0 H4' DT A 7 3.929 6.680 2.526 1.00 0.00 H new ATOM 0 H3' DT A 7 5.302 8.229 4.553 1.00 0.00 H new ATOM 0 H2' DT A 7 6.951 9.101 3.005 1.00 0.00 H new ATOM 0 H2'' DT A 7 7.611 7.486 3.176 1.00 0.00 H new ATOM 0 H1' DT A 7 6.418 6.649 1.251 1.00 0.00 H new ATOM 0 H3 DT A 7 9.002 7.404 -2.155 1.00 0.00 H new ATOM 0 H71 DT A 7 6.179 11.884 -1.145 1.00 0.00 H new ATOM 0 H72 DT A 7 7.925 12.229 -1.118 1.00 0.00 H new ATOM 0 H73 DT A 7 7.148 11.685 -2.625 1.00 0.00 H new ATOM 0 H6 DT A 7 6.297 10.273 0.606 1.00 0.00 H new ATOM 220 P DG A 8 6.070 5.773 5.514 1.00 0.00 P ATOM 221 OP1 DG A 8 6.147 6.930 6.435 1.00 0.00 O ATOM 222 OP2 DG A 8 7.225 4.859 5.369 1.00 0.00 O ATOM 223 O5' DG A 8 4.762 4.895 5.859 1.00 0.00 O ATOM 224 C5' DG A 8 3.633 5.418 6.539 1.00 0.00 C ATOM 225 C4' DG A 8 2.362 4.877 5.876 1.00 0.00 C ATOM 226 O4' DG A 8 2.466 4.824 4.471 1.00 0.00 O ATOM 227 C3' DG A 8 1.925 3.497 6.382 1.00 0.00 C ATOM 228 O3' DG A 8 0.935 3.664 7.387 1.00 0.00 O ATOM 229 C2' DG A 8 1.388 2.853 5.102 1.00 0.00 C ATOM 230 C1' DG A 8 1.477 3.928 4.017 1.00 0.00 C ATOM 231 N9 DG A 8 1.887 3.446 2.677 1.00 0.00 N ATOM 232 C8 DG A 8 3.108 2.925 2.333 1.00 0.00 C ATOM 233 N7 DG A 8 3.322 2.854 1.051 1.00 0.00 N ATOM 234 C5 DG A 8 2.162 3.373 0.491 1.00 0.00 C ATOM 235 C6 DG A 8 1.846 3.620 -0.879 1.00 0.00 C ATOM 236 O6 DG A 8 2.533 3.390 -1.870 1.00 0.00 O ATOM 237 N1 DG A 8 0.597 4.210 -1.040 1.00 0.00 N ATOM 238 C2 DG A 8 -0.259 4.508 -0.002 1.00 0.00 C ATOM 239 N2 DG A 8 -1.412 5.082 -0.351 1.00 0.00 N ATOM 240 N3 DG A 8 0.022 4.262 1.291 1.00 0.00 N ATOM 241 C4 DG A 8 1.260 3.714 1.475 1.00 0.00 C ATOM 0 H5' DG A 8 3.643 6.507 6.504 1.00 0.00 H new ATOM 0 H5'' DG A 8 3.661 5.133 7.591 1.00 0.00 H new ATOM 0 H4' DG A 8 1.598 5.599 6.165 1.00 0.00 H new ATOM 0 H3' DG A 8 2.701 2.890 6.849 1.00 0.00 H new ATOM 0 H2' DG A 8 1.976 1.976 4.831 1.00 0.00 H new ATOM 0 H2'' DG A 8 0.359 2.519 5.236 1.00 0.00 H new ATOM 0 H1' DG A 8 0.482 4.352 3.880 1.00 0.00 H new ATOM 0 H8 DG A 8 3.832 2.600 3.065 1.00 0.00 H new ATOM 0 H1 DG A 8 0.295 4.437 -1.988 1.00 0.00 H new ATOM 0 H21 DG A 8 -2.095 5.331 0.365 1.00 0.00 H new ATOM 0 H22 DG A 8 -1.610 5.272 -1.333 1.00 0.00 H new ATOM 253 P DT A 9 0.842 2.716 8.700 1.00 0.00 P ATOM 254 OP1 DT A 9 0.057 3.443 9.722 1.00 0.00 O ATOM 255 OP2 DT A 9 2.199 2.232 9.036 1.00 0.00 O ATOM 256 O5' DT A 9 -0.032 1.454 8.207 1.00 0.00 O ATOM 257 C5' DT A 9 -1.433 1.559 8.042 1.00 0.00 C ATOM 258 C4' DT A 9 -2.016 0.237 7.542 1.00 0.00 C ATOM 259 O4' DT A 9 -1.368 -0.184 6.363 1.00 0.00 O ATOM 260 C3' DT A 9 -1.847 -0.938 8.504 1.00 0.00 C ATOM 261 O3' DT A 9 -2.809 -0.876 9.545 1.00 0.00 O ATOM 262 C2' DT A 9 -2.042 -2.114 7.545 1.00 0.00 C ATOM 263 C1' DT A 9 -1.699 -1.544 6.164 1.00 0.00 C ATOM 264 N1 DT A 9 -0.567 -2.252 5.504 1.00 0.00 N ATOM 265 C2 DT A 9 -0.719 -2.665 4.178 1.00 0.00 C ATOM 266 O2 DT A 9 -1.757 -2.506 3.538 1.00 0.00 O ATOM 267 N3 DT A 9 0.390 -3.251 3.579 1.00 0.00 N ATOM 268 C4 DT A 9 1.613 -3.483 4.191 1.00 0.00 C ATOM 269 O4 DT A 9 2.510 -4.052 3.573 1.00 0.00 O ATOM 270 C5 DT A 9 1.709 -2.979 5.550 1.00 0.00 C ATOM 271 C7 DT A 9 3.016 -3.111 6.308 1.00 0.00 C ATOM 272 C6 DT A 9 0.642 -2.388 6.148 1.00 0.00 C ATOM 0 H5' DT A 9 -1.663 2.355 7.334 1.00 0.00 H new ATOM 0 H5'' DT A 9 -1.897 1.832 8.990 1.00 0.00 H new ATOM 0 H4' DT A 9 -3.074 0.463 7.408 1.00 0.00 H new ATOM 0 H3' DT A 9 -0.901 -0.983 9.044 1.00 0.00 H new ATOM 0 H2' DT A 9 -1.390 -2.949 7.803 1.00 0.00 H new ATOM 0 H2'' DT A 9 -3.066 -2.487 7.577 1.00 0.00 H new ATOM 0 H1' DT A 9 -2.554 -1.671 5.500 1.00 0.00 H new ATOM 0 H3 DT A 9 0.296 -3.535 2.604 1.00 0.00 H new ATOM 0 H71 DT A 9 3.112 -2.287 7.015 1.00 0.00 H new ATOM 0 H72 DT A 9 3.028 -4.057 6.850 1.00 0.00 H new ATOM 0 H73 DT A 9 3.849 -3.085 5.605 1.00 0.00 H new ATOM 0 H6 DT A 9 0.745 -2.015 7.156 1.00 0.00 H new ATOM 285 P DG A 10 -3.113 -2.119 10.538 1.00 0.00 P ATOM 286 OP1 DG A 10 -3.693 -1.581 11.789 1.00 0.00 O ATOM 287 OP2 DG A 10 -1.916 -2.988 10.594 1.00 0.00 O ATOM 288 O5' DG A 10 -4.277 -2.909 9.747 1.00 0.00 O ATOM 289 C5' DG A 10 -5.534 -2.302 9.502 1.00 0.00 C ATOM 290 C4' DG A 10 -6.322 -3.047 8.417 1.00 0.00 C ATOM 291 O4' DG A 10 -5.460 -3.324 7.323 1.00 0.00 O ATOM 292 C3' DG A 10 -6.930 -4.382 8.864 1.00 0.00 C ATOM 293 O3' DG A 10 -8.127 -4.549 8.118 1.00 0.00 O ATOM 294 C2' DG A 10 -5.818 -5.351 8.477 1.00 0.00 C ATOM 295 C1' DG A 10 -5.324 -4.726 7.174 1.00 0.00 C ATOM 296 N9 DG A 10 -3.931 -5.097 6.820 1.00 0.00 N ATOM 297 C8 DG A 10 -2.868 -5.417 7.633 1.00 0.00 C ATOM 298 N7 DG A 10 -1.770 -5.706 6.991 1.00 0.00 N ATOM 299 C5 DG A 10 -2.121 -5.579 5.653 1.00 0.00 C ATOM 300 C6 DG A 10 -1.352 -5.821 4.473 1.00 0.00 C ATOM 301 O6 DG A 10 -0.180 -6.179 4.391 1.00 0.00 O ATOM 302 N1 DG A 10 -2.086 -5.605 3.308 1.00 0.00 N ATOM 303 C2 DG A 10 -3.410 -5.209 3.287 1.00 0.00 C ATOM 304 N2 DG A 10 -3.997 -5.092 2.095 1.00 0.00 N ATOM 305 N3 DG A 10 -4.135 -4.992 4.393 1.00 0.00 N ATOM 306 C4 DG A 10 -3.436 -5.195 5.541 1.00 0.00 C ATOM 0 H5' DG A 10 -5.385 -1.266 9.197 1.00 0.00 H new ATOM 0 H5'' DG A 10 -6.114 -2.282 10.424 1.00 0.00 H new ATOM 0 H4' DG A 10 -7.148 -2.385 8.156 1.00 0.00 H new ATOM 0 H3' DG A 10 -7.207 -4.497 9.912 1.00 0.00 H new ATOM 0 H2' DG A 10 -5.034 -5.402 9.233 1.00 0.00 H new ATOM 0 H2'' DG A 10 -6.188 -6.366 8.333 1.00 0.00 H new ATOM 0 H1' DG A 10 -5.921 -5.107 6.345 1.00 0.00 H new ATOM 0 H8 DG A 10 -2.937 -5.428 8.711 1.00 0.00 H new ATOM 0 H1 DG A 10 -1.616 -5.748 2.414 1.00 0.00 H new ATOM 0 H21 DG A 10 -4.973 -4.802 2.033 1.00 0.00 H new ATOM 0 H22 DG A 10 -3.470 -5.292 1.245 1.00 0.00 H new ATOM 318 P DG A 11 -8.993 -5.912 8.092 1.00 0.00 P ATOM 319 OP1 DG A 11 -10.426 -5.548 8.031 1.00 0.00 O ATOM 320 OP2 DG A 11 -8.510 -6.817 9.158 1.00 0.00 O ATOM 321 O5' DG A 11 -8.567 -6.523 6.661 1.00 0.00 O ATOM 322 C5' DG A 11 -8.944 -5.875 5.459 1.00 0.00 C ATOM 323 C4' DG A 11 -8.408 -6.626 4.239 1.00 0.00 C ATOM 324 O4' DG A 11 -6.991 -6.637 4.250 1.00 0.00 O ATOM 325 C3' DG A 11 -8.877 -8.089 4.180 1.00 0.00 C ATOM 326 O3' DG A 11 -9.506 -8.357 2.943 1.00 0.00 O ATOM 327 C2' DG A 11 -7.572 -8.872 4.273 1.00 0.00 C ATOM 328 C1' DG A 11 -6.589 -7.865 3.687 1.00 0.00 C ATOM 329 N9 DG A 11 -5.185 -8.183 4.024 1.00 0.00 N ATOM 330 C8 DG A 11 -4.591 -8.260 5.258 1.00 0.00 C ATOM 331 N7 DG A 11 -3.318 -8.539 5.221 1.00 0.00 N ATOM 332 C5 DG A 11 -3.042 -8.664 3.864 1.00 0.00 C ATOM 333 C6 DG A 11 -1.811 -8.944 3.197 1.00 0.00 C ATOM 334 O6 DG A 11 -0.698 -9.106 3.692 1.00 0.00 O ATOM 335 N1 DG A 11 -1.967 -9.025 1.815 1.00 0.00 N ATOM 336 C2 DG A 11 -3.161 -8.830 1.146 1.00 0.00 C ATOM 337 N2 DG A 11 -3.150 -8.983 -0.183 1.00 0.00 N ATOM 338 N3 DG A 11 -4.310 -8.527 1.770 1.00 0.00 N ATOM 339 C4 DG A 11 -4.184 -8.463 3.124 1.00 0.00 C ATOM 0 H5' DG A 11 -8.563 -4.854 5.458 1.00 0.00 H new ATOM 0 H5'' DG A 11 -10.031 -5.810 5.402 1.00 0.00 H new ATOM 0 H4' DG A 11 -8.798 -6.096 3.370 1.00 0.00 H new ATOM 0 H3' DG A 11 -9.597 -8.339 4.960 1.00 0.00 H new ATOM 0 H2' DG A 11 -7.324 -9.141 5.300 1.00 0.00 H new ATOM 0 H2'' DG A 11 -7.605 -9.799 3.700 1.00 0.00 H new ATOM 0 HO3' DG A 11 -9.797 -9.292 2.920 1.00 0.00 H new ATOM 0 H1' DG A 11 -6.610 -7.860 2.597 1.00 0.00 H new ATOM 0 H8 DG A 11 -5.131 -8.103 6.180 1.00 0.00 H new ATOM 0 H1 DG A 11 -1.142 -9.244 1.257 1.00 0.00 H new ATOM 0 H21 DG A 11 -4.008 -8.849 -0.719 1.00 0.00 H new ATOM 0 H22 DG A 11 -2.284 -9.233 -0.660 1.00 0.00 H new TER 352 DG A 11 ATOM 353 N THR B 1 -3.613 1.162 -1.655 1.00 0.00 N ATOM 354 CA THR B 1 -5.056 1.412 -1.625 1.00 0.00 C ATOM 355 C THR B 1 -5.682 0.861 -0.348 1.00 0.00 C ATOM 356 O THR B 1 -5.438 -0.291 -0.018 1.00 0.00 O ATOM 357 CB THR B 1 -5.750 0.716 -2.811 1.00 0.00 C ATOM 358 OG1 THR B 1 -5.476 -0.684 -2.741 1.00 0.00 O ATOM 359 CG2 THR B 1 -5.295 1.247 -4.174 1.00 0.00 C ATOM 0 H3 THR B 1 -3.212 1.547 -2.534 1.00 0.00 H new ATOM 0 HA THR B 1 -5.192 2.492 -1.676 1.00 0.00 H new ATOM 0 HB THR B 1 -6.817 0.922 -2.731 1.00 0.00 H new ATOM 0 HG21 THR B 1 -5.822 0.715 -4.966 1.00 0.00 H new ATOM 0 HG22 THR B 1 -5.517 2.312 -4.242 1.00 0.00 H new ATOM 0 HG23 THR B 1 -4.222 1.093 -4.285 1.00 0.00 H new HETATM 366 N DVA B 2 -6.553 1.627 0.317 1.00 0.00 N HETATM 367 CA DVA B 2 -7.479 1.103 1.316 1.00 0.00 C HETATM 368 CB DVA B 2 -8.870 1.731 1.095 1.00 0.00 C HETATM 369 CG1 DVA B 2 -9.899 1.177 2.090 1.00 0.00 C HETATM 370 CG2 DVA B 2 -9.382 1.451 -0.326 1.00 0.00 C HETATM 371 C DVA B 2 -6.949 1.369 2.735 1.00 0.00 C HETATM 372 O DVA B 2 -6.988 2.517 3.176 1.00 0.00 O HETATM 0 HG23 DVA B 2 -8.689 1.874 -1.053 1.00 0.00 H new HETATM 0 HG22 DVA B 2 -9.457 0.375 -0.480 1.00 0.00 H new HETATM 0 HG21 DVA B 2 -10.365 1.905 -0.455 1.00 0.00 H new HETATM 0 HG13 DVA B 2 -9.983 0.098 1.963 1.00 0.00 H new HETATM 0 HG12 DVA B 2 -9.577 1.399 3.108 1.00 0.00 H new HETATM 0 HG11 DVA B 2 -10.868 1.640 1.907 1.00 0.00 H new HETATM 0 HB DVA B 2 -8.755 2.804 1.246 1.00 0.00 H new HETATM 0 HA DVA B 2 -7.568 0.022 1.207 1.00 0.00 H new HETATM 0 H DVA B 2 -6.878 2.301 -0.376 1.00 0.00 H new ATOM 382 N PRO B 3 -6.466 0.354 3.478 1.00 0.00 N ATOM 383 CA PRO B 3 -6.315 -1.043 3.082 1.00 0.00 C ATOM 384 C PRO B 3 -7.677 -1.747 2.965 1.00 0.00 C ATOM 385 O PRO B 3 -8.586 -1.392 3.715 1.00 0.00 O ATOM 386 CB PRO B 3 -5.457 -1.685 4.176 1.00 0.00 C ATOM 387 CG PRO B 3 -5.793 -0.853 5.412 1.00 0.00 C ATOM 388 CD PRO B 3 -5.977 0.546 4.833 1.00 0.00 C ATOM 0 HA PRO B 3 -5.852 -1.129 2.099 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -5.706 -2.737 4.318 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -4.395 -1.638 3.935 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -6.697 -1.209 5.906 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -4.992 -0.884 6.151 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -6.686 1.124 5.426 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -5.036 1.096 4.835 1.00 0.00 H new HETATM 396 N SAR B 4 -7.864 -2.720 2.047 1.00 0.00 N HETATM 397 CA SAR B 4 -6.844 -3.255 1.136 1.00 0.00 C HETATM 398 C SAR B 4 -7.027 -2.763 -0.313 1.00 0.00 C HETATM 399 O SAR B 4 -7.931 -1.969 -0.568 1.00 0.00 O HETATM 400 CN SAR B 4 -9.188 -3.325 1.928 1.00 0.00 C HETATM 0 HN3 SAR B 4 -9.567 -3.174 0.917 1.00 0.00 H new HETATM 0 HN2 SAR B 4 -9.120 -4.393 2.134 1.00 0.00 H new HETATM 0 HN1 SAR B 4 -9.866 -2.860 2.643 1.00 0.00 H new HETATM 0 HA3 SAR B 4 -5.856 -2.965 1.492 1.00 0.00 H new HETATM 0 HA2 SAR B 4 -6.882 -4.344 1.153 1.00 0.00 H new HETATM 406 N MVA B 5 -6.196 -3.249 -1.261 1.00 0.00 N HETATM 407 CN MVA B 5 -5.073 -4.114 -0.899 1.00 0.00 C HETATM 408 CA MVA B 5 -6.354 -2.971 -2.702 1.00 0.00 C HETATM 409 CB MVA B 5 -7.382 -3.918 -3.367 1.00 0.00 C HETATM 410 CG1 MVA B 5 -6.877 -5.368 -3.354 1.00 0.00 C HETATM 411 CG2 MVA B 5 -8.790 -3.897 -2.753 1.00 0.00 C HETATM 412 C MVA B 5 -6.554 -1.484 -3.033 1.00 0.00 C HETATM 413 O MVA B 5 -7.605 -1.116 -3.558 1.00 0.00 O HETATM 0 HG23 MVA B 5 -8.734 -4.190 -1.705 1.00 0.00 H new HETATM 0 HG22 MVA B 5 -9.204 -2.892 -2.827 1.00 0.00 H new HETATM 0 HG21 MVA B 5 -9.432 -4.594 -3.291 1.00 0.00 H new HETATM 0 HG13 MVA B 5 -5.937 -5.431 -3.902 1.00 0.00 H new HETATM 0 HG12 MVA B 5 -6.719 -5.689 -2.324 1.00 0.00 H new HETATM 0 HG11 MVA B 5 -7.616 -6.015 -3.827 1.00 0.00 H new HETATM 0 HN3 MVA B 5 -5.189 -5.083 -1.385 1.00 0.00 H new HETATM 0 HN2 MVA B 5 -4.140 -3.654 -1.224 1.00 0.00 H new HETATM 0 HN1 MVA B 5 -5.053 -4.250 0.182 1.00 0.00 H new HETATM 0 HB MVA B 5 -7.475 -3.532 -4.382 1.00 0.00 H new HETATM 0 HA MVA B 5 -5.395 -3.205 -3.164 1.00 0.00 H new HETATM 425 C1 PXZ B 6 -1.416 1.564 -2.484 1.00 0.00 C HETATM 426 C PXZ B 6 -2.742 1.988 -2.254 1.00 0.00 C HETATM 427 O PXZ B 6 -3.090 3.085 -2.690 1.00 0.00 O HETATM 428 C2 PXZ B 6 -0.923 1.496 -3.807 1.00 0.00 C HETATM 429 N2 PXZ B 6 -1.667 1.896 -4.845 1.00 0.00 N HETATM 430 C3 PXZ B 6 0.349 0.966 -4.068 1.00 0.00 C HETATM 431 O3 PXZ B 6 0.809 0.853 -5.417 1.00 0.00 O HETATM 432 C4 PXZ B 6 1.175 0.554 -3.016 1.00 0.00 C HETATM 433 O5 PXZ B 6 1.502 0.214 -0.695 1.00 0.00 O HETATM 434 C6 PXZ B 6 1.853 -0.262 1.598 1.00 0.00 C HETATM 435 C7 PXZ B 6 1.371 -0.271 2.913 1.00 0.00 C HETATM 436 C8 PXZ B 6 0.089 0.220 3.192 1.00 0.00 C HETATM 437 C9 PXZ B 6 -0.697 0.821 2.193 1.00 0.00 C HETATM 438 C' PXZ B 6 -1.955 1.354 2.552 1.00 0.00 C HETATM 439 O' PXZ B 6 -2.644 0.702 3.338 1.00 0.00 O HETATM 440 N10 PXZ B 6 -0.999 1.246 -0.147 1.00 0.00 N HETATM 441 C11 PXZ B 6 -0.583 1.153 -1.423 1.00 0.00 C HETATM 442 C12 PXZ B 6 0.706 0.637 -1.694 1.00 0.00 C HETATM 443 C13 PXZ B 6 1.049 0.265 0.571 1.00 0.00 C HETATM 444 C14 PXZ B 6 -0.225 0.811 0.863 1.00 0.00 C HETATM 445 C15 PXZ B 6 2.567 0.025 -3.314 1.00 0.00 C HETATM 446 C16 PXZ B 6 3.222 -0.843 1.292 1.00 0.00 C HETATM 0 HN22 PXZ B 6 -1.293 1.839 -5.792 1.00 0.00 H new HETATM 0 HN21 PXZ B 6 -2.608 2.258 -4.689 1.00 0.00 H new HETATM 0 H163 PXZ B 6 3.981 -0.302 1.856 1.00 0.00 H new HETATM 0 H162 PXZ B 6 3.242 -1.896 1.574 1.00 0.00 H new HETATM 0 H161 PXZ B 6 3.427 -0.749 0.226 1.00 0.00 H new HETATM 0 H153 PXZ B 6 2.493 -0.855 -3.954 1.00 0.00 H new HETATM 0 H152 PXZ B 6 3.148 0.795 -3.822 1.00 0.00 H new HETATM 0 H151 PXZ B 6 3.061 -0.246 -2.381 1.00 0.00 H new HETATM 0 H8 PXZ B 6 -0.307 0.134 4.204 1.00 0.00 H new HETATM 0 H7 PXZ B 6 1.993 -0.660 3.719 1.00 0.00 H new ATOM 457 N THR B 7 -2.364 2.550 2.095 1.00 0.00 N ATOM 458 CA THR B 7 -3.626 3.170 2.514 1.00 0.00 C ATOM 459 C THR B 7 -4.345 3.881 1.365 1.00 0.00 C ATOM 460 O THR B 7 -3.823 3.974 0.259 1.00 0.00 O ATOM 461 CB THR B 7 -3.419 4.159 3.683 1.00 0.00 C ATOM 462 OG1 THR B 7 -2.751 5.345 3.236 1.00 0.00 O ATOM 463 CG2 THR B 7 -2.645 3.541 4.852 1.00 0.00 C ATOM 0 HA THR B 7 -4.258 2.348 2.851 1.00 0.00 H new ATOM 0 HB THR B 7 -4.414 4.415 4.046 1.00 0.00 H new ATOM 0 HG21 THR B 7 -2.530 4.281 5.644 1.00 0.00 H new ATOM 0 HG22 THR B 7 -3.193 2.681 5.237 1.00 0.00 H new ATOM 0 HG23 THR B 7 -1.661 3.221 4.508 1.00 0.00 H new HETATM 470 N DVA B 8 -5.535 4.416 1.667 1.00 0.00 N HETATM 471 CA DVA B 8 -6.214 5.480 0.938 1.00 0.00 C HETATM 472 CB DVA B 8 -7.519 5.862 1.668 1.00 0.00 C HETATM 473 CG1 DVA B 8 -8.218 7.032 0.962 1.00 0.00 C HETATM 474 CG2 DVA B 8 -7.255 6.277 3.124 1.00 0.00 C HETATM 475 C DVA B 8 -6.472 5.084 -0.522 1.00 0.00 C HETATM 476 O DVA B 8 -7.317 4.226 -0.768 1.00 0.00 O HETATM 0 HG23 DVA B 8 -6.792 5.449 3.660 1.00 0.00 H new HETATM 0 HG22 DVA B 8 -6.588 7.139 3.141 1.00 0.00 H new HETATM 0 HG21 DVA B 8 -8.198 6.539 3.604 1.00 0.00 H new HETATM 0 HG13 DVA B 8 -7.556 7.898 0.951 1.00 0.00 H new HETATM 0 HG12 DVA B 8 -8.460 6.747 -0.062 1.00 0.00 H new HETATM 0 HG11 DVA B 8 -9.135 7.283 1.495 1.00 0.00 H new HETATM 0 HB DVA B 8 -8.154 4.976 1.652 1.00 0.00 H new HETATM 0 HA DVA B 8 -5.566 6.356 0.912 1.00 0.00 H new HETATM 0 H DVA B 8 -5.943 4.044 2.525 1.00 0.00 H new ATOM 486 N PRO B 9 -5.774 5.686 -1.499 1.00 0.00 N ATOM 487 CA PRO B 9 -4.687 6.646 -1.340 1.00 0.00 C ATOM 488 C PRO B 9 -5.220 8.072 -1.122 1.00 0.00 C ATOM 489 O PRO B 9 -6.363 8.347 -1.486 1.00 0.00 O ATOM 490 CB PRO B 9 -3.928 6.577 -2.663 1.00 0.00 C ATOM 491 CG PRO B 9 -5.057 6.342 -3.661 1.00 0.00 C ATOM 492 CD PRO B 9 -5.961 5.374 -2.905 1.00 0.00 C ATOM 0 HA PRO B 9 -4.069 6.413 -0.473 1.00 0.00 H new ATOM 0 HB2 PRO B 9 -3.384 7.499 -2.871 1.00 0.00 H new ATOM 0 HB3 PRO B 9 -3.198 5.767 -2.674 1.00 0.00 H new ATOM 0 HG2 PRO B 9 -5.574 7.267 -3.916 1.00 0.00 H new ATOM 0 HG3 PRO B 9 -4.692 5.913 -4.594 1.00 0.00 H new ATOM 0 HD2 PRO B 9 -7.003 5.499 -3.199 1.00 0.00 H new ATOM 0 HD3 PRO B 9 -5.692 4.339 -3.117 1.00 0.00 H new HETATM 500 N SAR B 10 -4.414 8.996 -0.562 1.00 0.00 N HETATM 501 CA SAR B 10 -3.105 8.694 0.022 1.00 0.00 C HETATM 502 C SAR B 10 -3.261 8.296 1.497 1.00 0.00 C HETATM 503 O SAR B 10 -4.383 8.312 2.003 1.00 0.00 O HETATM 504 CN SAR B 10 -4.886 10.370 -0.414 1.00 0.00 C HETATM 0 HN3 SAR B 10 -4.966 10.615 0.645 1.00 0.00 H new HETATM 0 HN2 SAR B 10 -4.181 11.050 -0.891 1.00 0.00 H new HETATM 0 HN1 SAR B 10 -5.864 10.472 -0.885 1.00 0.00 H new HETATM 0 HA3 SAR B 10 -2.629 7.885 -0.532 1.00 0.00 H new HETATM 0 HA2 SAR B 10 -2.453 9.563 -0.061 1.00 0.00 H new HETATM 510 N MVA B 11 -2.169 7.975 2.218 1.00 0.00 N HETATM 511 CN MVA B 11 -0.814 7.873 1.677 1.00 0.00 C HETATM 512 CA MVA B 11 -2.263 7.737 3.662 1.00 0.00 C HETATM 513 CB MVA B 11 -2.733 8.993 4.437 1.00 0.00 C HETATM 514 CG1 MVA B 11 -2.322 8.877 5.915 1.00 0.00 C HETATM 515 CG2 MVA B 11 -2.108 10.288 3.894 1.00 0.00 C HETATM 516 C MVA B 11 -3.098 6.474 3.949 1.00 0.00 C HETATM 517 O MVA B 11 -4.020 6.550 4.762 1.00 0.00 O HETATM 0 HG23 MVA B 11 -1.023 10.230 3.976 1.00 0.00 H new HETATM 0 HG22 MVA B 11 -2.387 10.416 2.848 1.00 0.00 H new HETATM 0 HG21 MVA B 11 -2.471 11.138 4.473 1.00 0.00 H new HETATM 0 HG13 MVA B 11 -2.782 7.991 6.352 1.00 0.00 H new HETATM 0 HG12 MVA B 11 -1.237 8.795 5.986 1.00 0.00 H new HETATM 0 HG11 MVA B 11 -2.655 9.763 6.456 1.00 0.00 H new HETATM 0 HN3 MVA B 11 -0.172 8.608 2.163 1.00 0.00 H new HETATM 0 HN2 MVA B 11 -0.423 6.872 1.860 1.00 0.00 H new HETATM 0 HN1 MVA B 11 -0.835 8.063 0.604 1.00 0.00 H new HETATM 0 HB MVA B 11 -3.815 9.041 4.318 1.00 0.00 H new HETATM 0 HA MVA B 11 -1.261 7.540 4.044 1.00 0.00 H new TER 529 MVA B 11