USER MOD reduce.3.24.130724 H: found=0, std=0, add=348, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 347 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 Set 1.1: B 1 ASN :FLIP amide:sc= -0.135 F(o=-0.82,f=-0.13) USER MOD Set 1.2: B 3 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0149) USER MOD Set 2.1: A 11 C O2' : rot 69:sc= 0.327 USER MOD Set 2.2: B 7 HIS :FLIP no HE2:sc= -0.729 F(o=-3.2,f=-0.4) USER MOD Single : A 4 G O2' : rot 180:sc= 0 USER MOD Single : A 4 G O5' : rot 180:sc= 0 USER MOD Single : A 5 C O2' : rot -25:sc= 0.0153 USER MOD Single : A 6 G O2' : rot -15:sc= 0.0616 USER MOD Single : A 7 C O2' : rot -119:sc= 0.642 USER MOD Single : A 8 U O2' : rot -17:sc= 0.0409 USER MOD Single : A 9 G O2' : rot -26:sc= 0.0462 USER MOD Single : A 10 A O2' : rot 173:sc=0.000304 USER MOD Single : A 12 A O2' : rot -114:sc= 0.0512 USER MOD Single : A 13 A O2' : rot -29:sc= 0.0107 USER MOD Single : A 14 A O2' : rot -118:sc=0.000597 USER MOD Single : A 15 G O2' : rot -20:sc= 0.0332 USER MOD Single : A 16 C O2' : rot 180:sc= 0 USER MOD Single : A 17 G O2' : rot -69:sc= 0.241 USER MOD Single : A 18 C O2' : rot -22:sc= 0.0322 USER MOD Single : A 18 C O3' : rot 180:sc= 0.0245 USER MOD Single : B 1 ASN N :NH3+ -119:sc= 0.0358 (180deg=0) USER MOD Single : B 4 THR OG1 : rot 180:sc= 0 USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 THR OG1 : rot -78:sc= -0.476 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 4 9.763 6.937 7.416 1.00 0.00 O ATOM 2 C5' G A 4 10.771 6.087 6.881 1.00 0.00 C ATOM 3 C4' G A 4 11.410 6.689 5.621 1.00 0.00 C ATOM 4 O4' G A 4 12.528 5.859 5.191 1.00 0.00 O ATOM 5 C3' G A 4 10.498 6.721 4.393 1.00 0.00 C ATOM 6 O3' G A 4 9.619 7.852 4.352 1.00 0.00 O ATOM 7 C2' G A 4 11.481 6.683 3.228 1.00 0.00 C ATOM 8 O2' G A 4 11.818 7.938 2.636 1.00 0.00 O ATOM 9 C1' G A 4 12.718 5.991 3.774 1.00 0.00 C ATOM 10 N9 G A 4 12.988 4.687 3.122 1.00 0.00 N ATOM 11 C8 G A 4 12.871 3.455 3.656 1.00 0.00 C ATOM 12 N7 G A 4 13.182 2.472 2.846 1.00 0.00 N ATOM 13 C5 G A 4 13.533 3.094 1.675 1.00 0.00 C ATOM 14 C6 G A 4 13.949 2.515 0.467 1.00 0.00 C ATOM 15 O6 G A 4 14.080 1.303 0.268 1.00 0.00 O ATOM 16 N1 G A 4 14.215 3.510 -0.521 1.00 0.00 N ATOM 17 C2 G A 4 14.094 4.901 -0.351 1.00 0.00 C ATOM 18 N2 G A 4 14.418 5.595 -1.480 1.00 0.00 N ATOM 19 N3 G A 4 13.688 5.416 0.841 1.00 0.00 N ATOM 20 C4 G A 4 13.426 4.479 1.799 1.00 0.00 C ATOM 0 H5' G A 4 10.339 5.116 6.641 1.00 0.00 H new ATOM 0 H5'' G A 4 11.541 5.916 7.634 1.00 0.00 H new ATOM 0 H4' G A 4 11.674 7.703 5.920 1.00 0.00 H new ATOM 0 H3' G A 4 9.795 5.888 4.382 1.00 0.00 H new ATOM 0 H2' G A 4 11.006 6.159 2.399 1.00 0.00 H new ATOM 0 HO2' G A 4 12.453 7.794 1.903 1.00 0.00 H new ATOM 0 HO5' G A 4 9.376 6.523 8.216 1.00 0.00 H new ATOM 0 H1' G A 4 13.603 6.588 3.557 1.00 0.00 H new ATOM 0 H8 G A 4 12.546 3.290 4.673 1.00 0.00 H new ATOM 0 H1 G A 4 14.522 3.181 -1.437 1.00 0.00 H new ATOM 0 H21 G A 4 14.370 6.614 -1.484 1.00 0.00 H new ATOM 0 H22 G A 4 14.708 5.095 -2.320 1.00 0.00 H new ATOM 33 P C A 5 8.219 7.814 3.585 1.00 0.00 P ATOM 34 OP1 C A 5 7.507 9.085 3.860 1.00 0.00 O ATOM 35 OP2 C A 5 7.498 6.572 3.948 1.00 0.00 O ATOM 36 O5' C A 5 8.611 7.731 2.037 1.00 0.00 O ATOM 37 C5' C A 5 8.978 8.883 1.279 1.00 0.00 C ATOM 38 C4' C A 5 9.285 8.598 -0.223 1.00 0.00 C ATOM 39 O4' C A 5 10.552 7.885 -0.452 1.00 0.00 O ATOM 40 C3' C A 5 8.236 7.789 -0.987 1.00 0.00 C ATOM 41 O3' C A 5 7.114 8.595 -1.357 1.00 0.00 O ATOM 42 C2' C A 5 9.036 7.216 -2.170 1.00 0.00 C ATOM 43 O2' C A 5 9.210 8.139 -3.247 1.00 0.00 O ATOM 44 C1' C A 5 10.387 6.896 -1.508 1.00 0.00 C ATOM 45 N1 C A 5 10.518 5.501 -0.967 1.00 0.00 N ATOM 46 C2 C A 5 10.880 4.416 -1.846 1.00 0.00 C ATOM 47 O2 C A 5 11.073 4.571 -3.067 1.00 0.00 O ATOM 48 N3 C A 5 11.014 3.162 -1.293 1.00 0.00 N ATOM 49 C4 C A 5 10.820 2.934 0.030 1.00 0.00 C ATOM 50 N4 C A 5 10.945 1.686 0.552 1.00 0.00 N ATOM 51 C5 C A 5 10.461 4.025 0.904 1.00 0.00 C ATOM 52 C6 C A 5 10.324 5.240 0.367 1.00 0.00 C ATOM 0 H5' C A 5 9.856 9.338 1.736 1.00 0.00 H new ATOM 0 H5'' C A 5 8.172 9.614 1.340 1.00 0.00 H new ATOM 0 H4' C A 5 9.312 9.620 -0.602 1.00 0.00 H new ATOM 0 H3' C A 5 7.771 6.994 -0.404 1.00 0.00 H new ATOM 0 H2' C A 5 8.534 6.368 -2.636 1.00 0.00 H new ATOM 0 HO2' C A 5 8.490 8.803 -3.228 1.00 0.00 H new ATOM 0 H1' C A 5 11.170 6.944 -2.265 1.00 0.00 H new ATOM 0 H41 C A 5 10.795 1.533 1.549 1.00 0.00 H new ATOM 0 H42 C A 5 11.188 0.902 -0.053 1.00 0.00 H new ATOM 0 H5 C A 5 10.308 3.864 1.961 1.00 0.00 H new ATOM 0 H6 C A 5 10.047 6.059 1.015 1.00 0.00 H new ATOM 64 P G A 6 5.700 7.953 -1.696 1.00 0.00 P ATOM 65 OP1 G A 6 4.712 9.051 -1.767 1.00 0.00 O ATOM 66 OP2 G A 6 5.408 6.849 -0.746 1.00 0.00 O ATOM 67 O5' G A 6 5.943 7.399 -3.163 1.00 0.00 O ATOM 68 C5' G A 6 5.440 6.135 -3.569 1.00 0.00 C ATOM 69 C4' G A 6 6.158 5.672 -4.852 1.00 0.00 C ATOM 70 O4' G A 6 7.533 5.258 -4.551 1.00 0.00 O ATOM 71 C3' G A 6 5.509 4.441 -5.484 1.00 0.00 C ATOM 72 O3' G A 6 4.575 4.827 -6.497 1.00 0.00 O ATOM 73 C2' G A 6 6.682 3.619 -6.035 1.00 0.00 C ATOM 74 O2' G A 6 7.107 4.029 -7.336 1.00 0.00 O ATOM 75 C1' G A 6 7.772 3.918 -4.999 1.00 0.00 C ATOM 76 N9 G A 6 7.946 2.979 -3.847 1.00 0.00 N ATOM 77 C8 G A 6 7.784 3.217 -2.518 1.00 0.00 C ATOM 78 N7 G A 6 8.045 2.204 -1.734 1.00 0.00 N ATOM 79 C5 G A 6 8.411 1.205 -2.590 1.00 0.00 C ATOM 80 C6 G A 6 8.794 -0.100 -2.279 1.00 0.00 C ATOM 81 O6 G A 6 8.867 -0.564 -1.138 1.00 0.00 O ATOM 82 N1 G A 6 9.096 -0.845 -3.454 1.00 0.00 N ATOM 83 C2 G A 6 9.033 -0.373 -4.778 1.00 0.00 C ATOM 84 N2 G A 6 9.365 -1.321 -5.699 1.00 0.00 N ATOM 85 N3 G A 6 8.657 0.908 -5.033 1.00 0.00 N ATOM 86 C4 G A 6 8.362 1.638 -3.919 1.00 0.00 C ATOM 0 H5' G A 6 4.367 6.201 -3.746 1.00 0.00 H new ATOM 0 H5'' G A 6 5.588 5.403 -2.775 1.00 0.00 H new ATOM 0 H4' G A 6 6.107 6.525 -5.528 1.00 0.00 H new ATOM 0 H3' G A 6 4.926 3.855 -4.774 1.00 0.00 H new ATOM 0 H2' G A 6 6.430 2.566 -6.163 1.00 0.00 H new ATOM 0 HO2' G A 6 6.419 4.598 -7.740 1.00 0.00 H new ATOM 0 H1' G A 6 8.725 3.777 -5.508 1.00 0.00 H new ATOM 0 H8 G A 6 7.462 4.175 -2.137 1.00 0.00 H new ATOM 0 H1 G A 6 9.386 -1.814 -3.323 1.00 0.00 H new ATOM 0 H21 G A 6 9.355 -1.092 -6.693 1.00 0.00 H new ATOM 0 H22 G A 6 9.624 -2.259 -5.394 1.00 0.00 H new ATOM 98 P C A 7 3.187 4.083 -6.677 1.00 0.00 P ATOM 99 OP1 C A 7 2.496 4.641 -7.862 1.00 0.00 O ATOM 100 OP2 C A 7 2.446 4.110 -5.395 1.00 0.00 O ATOM 101 O5' C A 7 3.641 2.599 -6.958 1.00 0.00 O ATOM 102 C5' C A 7 4.101 2.098 -8.207 1.00 0.00 C ATOM 103 C4' C A 7 4.387 0.573 -8.141 1.00 0.00 C ATOM 104 O4' C A 7 5.608 0.277 -7.376 1.00 0.00 O ATOM 105 C3' C A 7 3.288 -0.209 -7.419 1.00 0.00 C ATOM 106 O3' C A 7 2.204 -0.527 -8.295 1.00 0.00 O ATOM 107 C2' C A 7 4.009 -1.405 -6.826 1.00 0.00 C ATOM 108 O2' C A 7 3.961 -2.580 -7.625 1.00 0.00 O ATOM 109 C1' C A 7 5.459 -0.962 -6.642 1.00 0.00 C ATOM 110 N1 C A 7 5.660 -0.821 -5.175 1.00 0.00 N ATOM 111 C2 C A 7 5.991 -1.984 -4.379 1.00 0.00 C ATOM 112 O2 C A 7 6.214 -3.099 -4.888 1.00 0.00 O ATOM 113 N3 C A 7 6.055 -1.836 -3.010 1.00 0.00 N ATOM 114 C4 C A 7 5.816 -0.636 -2.415 1.00 0.00 C ATOM 115 N4 C A 7 5.853 -0.514 -1.055 1.00 0.00 N ATOM 116 C5 C A 7 5.497 0.508 -3.246 1.00 0.00 C ATOM 117 C6 C A 7 5.436 0.373 -4.553 1.00 0.00 C ATOM 0 H5' C A 7 5.008 2.627 -8.500 1.00 0.00 H new ATOM 0 H5'' C A 7 3.354 2.296 -8.976 1.00 0.00 H new ATOM 0 H4' C A 7 4.467 0.276 -9.187 1.00 0.00 H new ATOM 0 H3' C A 7 2.793 0.359 -6.631 1.00 0.00 H new ATOM 0 H2' C A 7 3.517 -1.687 -5.895 1.00 0.00 H new ATOM 0 HO2' C A 7 3.506 -3.293 -7.131 1.00 0.00 H new ATOM 0 H1' C A 7 6.208 -1.658 -7.020 1.00 0.00 H new ATOM 0 H41 C A 7 5.672 0.390 -0.619 1.00 0.00 H new ATOM 0 H42 C A 7 6.061 -1.327 -0.476 1.00 0.00 H new ATOM 0 H5 C A 7 5.310 1.470 -2.793 1.00 0.00 H new ATOM 0 H6 C A 7 5.200 1.238 -5.155 1.00 0.00 H new ATOM 129 P U A 8 0.729 -0.915 -7.859 1.00 0.00 P ATOM 130 OP1 U A 8 -0.109 -0.977 -9.081 1.00 0.00 O ATOM 131 OP2 U A 8 0.269 0.018 -6.811 1.00 0.00 O ATOM 132 O5' U A 8 0.884 -2.380 -7.220 1.00 0.00 O ATOM 133 C5' U A 8 1.014 -3.503 -8.095 1.00 0.00 C ATOM 134 C4' U A 8 1.278 -4.856 -7.381 1.00 0.00 C ATOM 135 O4' U A 8 2.554 -4.943 -6.686 1.00 0.00 O ATOM 136 C3' U A 8 0.236 -5.309 -6.372 1.00 0.00 C ATOM 137 O3' U A 8 -0.914 -5.830 -7.042 1.00 0.00 O ATOM 138 C2' U A 8 0.998 -6.366 -5.556 1.00 0.00 C ATOM 139 O2' U A 8 1.011 -7.666 -6.149 1.00 0.00 O ATOM 140 C1' U A 8 2.424 -5.777 -5.513 1.00 0.00 C ATOM 141 N1 U A 8 2.761 -5.019 -4.260 1.00 0.00 N ATOM 142 C2 U A 8 2.966 -5.767 -3.049 1.00 0.00 C ATOM 143 O2 U A 8 2.894 -6.999 -2.948 1.00 0.00 O ATOM 144 N3 U A 8 3.271 -4.974 -1.921 1.00 0.00 N ATOM 145 C4 U A 8 3.389 -3.561 -1.876 1.00 0.00 C ATOM 146 O4 U A 8 3.655 -2.975 -0.823 1.00 0.00 O ATOM 147 C5 U A 8 3.165 -2.905 -3.155 1.00 0.00 C ATOM 148 C6 U A 8 2.872 -3.632 -4.253 1.00 0.00 C ATOM 0 H5' U A 8 1.830 -3.311 -8.792 1.00 0.00 H new ATOM 0 H5'' U A 8 0.103 -3.592 -8.687 1.00 0.00 H new ATOM 0 H4' U A 8 1.251 -5.512 -8.251 1.00 0.00 H new ATOM 0 H3' U A 8 -0.160 -4.516 -5.738 1.00 0.00 H new ATOM 0 H2' U A 8 0.535 -6.535 -4.584 1.00 0.00 H new ATOM 0 HO2' U A 8 0.310 -7.721 -6.832 1.00 0.00 H new ATOM 0 H1' U A 8 3.140 -6.599 -5.506 1.00 0.00 H new ATOM 0 H3 U A 8 3.423 -5.471 -1.043 1.00 0.00 H new ATOM 0 H5 U A 8 3.234 -1.830 -3.226 1.00 0.00 H new ATOM 0 H6 U A 8 2.714 -3.106 -5.183 1.00 0.00 H new ATOM 159 P G A 9 -2.387 -5.517 -6.547 1.00 0.00 P ATOM 160 OP1 G A 9 -3.347 -6.185 -7.457 1.00 0.00 O ATOM 161 OP2 G A 9 -2.548 -4.054 -6.369 1.00 0.00 O ATOM 162 O5' G A 9 -2.418 -6.205 -5.124 1.00 0.00 O ATOM 163 C5' G A 9 -2.440 -7.620 -4.957 1.00 0.00 C ATOM 164 C4' G A 9 -2.438 -8.025 -3.463 1.00 0.00 C ATOM 165 O4' G A 9 -1.149 -7.745 -2.823 1.00 0.00 O ATOM 166 C3' G A 9 -3.468 -7.266 -2.620 1.00 0.00 C ATOM 167 O3' G A 9 -4.748 -7.873 -2.707 1.00 0.00 O ATOM 168 C2' G A 9 -2.867 -7.271 -1.216 1.00 0.00 C ATOM 169 O2' G A 9 -3.176 -8.457 -0.480 1.00 0.00 O ATOM 170 C1' G A 9 -1.345 -7.198 -1.504 1.00 0.00 C ATOM 171 N9 G A 9 -0.749 -5.819 -1.436 1.00 0.00 N ATOM 172 C8 G A 9 -0.486 -4.933 -2.448 1.00 0.00 C ATOM 173 N7 G A 9 0.001 -3.782 -2.063 1.00 0.00 N ATOM 174 C5 G A 9 0.083 -3.884 -0.707 1.00 0.00 C ATOM 175 C6 G A 9 0.542 -2.926 0.202 1.00 0.00 C ATOM 176 O6 G A 9 0.948 -1.804 -0.105 1.00 0.00 O ATOM 177 N1 G A 9 0.477 -3.403 1.537 1.00 0.00 N ATOM 178 C2 G A 9 0.018 -4.670 1.936 1.00 0.00 C ATOM 179 N2 G A 9 0.081 -4.858 3.277 1.00 0.00 N ATOM 180 N3 G A 9 -0.422 -5.574 1.021 1.00 0.00 N ATOM 181 C4 G A 9 -0.368 -5.132 -0.265 1.00 0.00 C ATOM 0 H5' G A 9 -1.574 -8.058 -5.453 1.00 0.00 H new ATOM 0 H5'' G A 9 -3.326 -8.029 -5.443 1.00 0.00 H new ATOM 0 H4' G A 9 -2.669 -9.090 -3.487 1.00 0.00 H new ATOM 0 H3' G A 9 -3.649 -6.246 -2.959 1.00 0.00 H new ATOM 0 H2' G A 9 -3.255 -6.459 -0.601 1.00 0.00 H new ATOM 0 HO2' G A 9 -4.013 -8.841 -0.815 1.00 0.00 H new ATOM 0 H1' G A 9 -0.832 -7.758 -0.722 1.00 0.00 H new ATOM 0 H8 G A 9 -0.667 -5.168 -3.486 1.00 0.00 H new ATOM 0 H1 G A 9 0.791 -2.770 2.272 1.00 0.00 H new ATOM 0 H21 G A 9 -0.226 -5.742 3.683 1.00 0.00 H new ATOM 0 H22 G A 9 0.436 -4.116 3.880 1.00 0.00 H new ATOM 193 P A A 10 -5.991 -7.337 -3.541 1.00 0.00 P ATOM 194 OP1 A A 10 -6.422 -8.402 -4.473 1.00 0.00 O ATOM 195 OP2 A A 10 -5.676 -6.014 -4.131 1.00 0.00 O ATOM 196 O5' A A 10 -7.120 -7.120 -2.446 1.00 0.00 O ATOM 197 C5' A A 10 -7.368 -8.039 -1.383 1.00 0.00 C ATOM 198 C4' A A 10 -7.553 -7.310 -0.034 1.00 0.00 C ATOM 199 O4' A A 10 -7.443 -8.285 1.047 1.00 0.00 O ATOM 200 C3' A A 10 -6.527 -6.196 0.283 1.00 0.00 C ATOM 201 O3' A A 10 -7.188 -4.960 0.563 1.00 0.00 O ATOM 202 C2' A A 10 -5.694 -6.725 1.459 1.00 0.00 C ATOM 203 O2' A A 10 -5.338 -5.747 2.432 1.00 0.00 O ATOM 204 C1' A A 10 -6.548 -7.844 2.067 1.00 0.00 C ATOM 205 N9 A A 10 -5.784 -9.038 2.520 1.00 0.00 N ATOM 206 C8 A A 10 -5.069 -9.958 1.800 1.00 0.00 C ATOM 207 N7 A A 10 -4.529 -10.912 2.524 1.00 0.00 N ATOM 208 C5 A A 10 -4.904 -10.614 3.810 1.00 0.00 C ATOM 209 C6 A A 10 -4.623 -11.284 5.020 1.00 0.00 C ATOM 210 N6 A A 10 -3.870 -12.426 5.004 1.00 0.00 N ATOM 211 N1 A A 10 -5.166 -10.698 6.143 1.00 0.00 N ATOM 212 C2 A A 10 -5.895 -9.581 6.023 1.00 0.00 C ATOM 213 N3 A A 10 -6.210 -8.889 4.944 1.00 0.00 N ATOM 214 C4 A A 10 -5.678 -9.463 3.844 1.00 0.00 C ATOM 0 H5' A A 10 -6.538 -8.741 -1.307 1.00 0.00 H new ATOM 0 H5'' A A 10 -8.260 -8.623 -1.607 1.00 0.00 H new ATOM 0 H4' A A 10 -8.529 -6.832 -0.116 1.00 0.00 H new ATOM 0 H3' A A 10 -5.876 -5.973 -0.562 1.00 0.00 H new ATOM 0 H2' A A 10 -4.724 -7.069 1.101 1.00 0.00 H new ATOM 0 HO2' A A 10 -4.910 -6.187 3.196 1.00 0.00 H new ATOM 0 H1' A A 10 -7.033 -7.427 2.950 1.00 0.00 H new ATOM 0 H8 A A 10 -4.958 -9.904 0.727 1.00 0.00 H new ATOM 0 H61 A A 10 -3.664 -12.914 5.876 1.00 0.00 H new ATOM 0 H62 A A 10 -3.514 -12.790 4.120 1.00 0.00 H new ATOM 0 H2 A A 10 -6.284 -9.186 6.950 1.00 0.00 H new ATOM 226 P C A 11 -7.637 -3.939 -0.575 1.00 0.00 P ATOM 227 OP1 C A 11 -9.110 -4.001 -0.696 1.00 0.00 O ATOM 228 OP2 C A 11 -6.858 -4.142 -1.823 1.00 0.00 O ATOM 229 O5' C A 11 -7.258 -2.550 0.080 1.00 0.00 O ATOM 230 C5' C A 11 -5.963 -1.969 -0.052 1.00 0.00 C ATOM 231 C4' C A 11 -5.578 -1.101 1.166 1.00 0.00 C ATOM 232 O4' C A 11 -6.612 -0.109 1.454 1.00 0.00 O ATOM 233 C3' C A 11 -5.432 -1.922 2.444 1.00 0.00 C ATOM 234 O3' C A 11 -4.128 -1.742 2.980 1.00 0.00 O ATOM 235 C2' C A 11 -6.541 -1.458 3.385 1.00 0.00 C ATOM 236 O2' C A 11 -6.206 -1.457 4.769 1.00 0.00 O ATOM 237 C1' C A 11 -6.952 -0.082 2.851 1.00 0.00 C ATOM 238 N1 C A 11 -8.433 0.094 3.055 1.00 0.00 N ATOM 239 C2 C A 11 -8.948 0.589 4.316 1.00 0.00 C ATOM 240 O2 C A 11 -8.200 0.927 5.256 1.00 0.00 O ATOM 241 N3 C A 11 -10.322 0.685 4.460 1.00 0.00 N ATOM 242 C4 C A 11 -11.175 0.333 3.460 1.00 0.00 C ATOM 243 N4 C A 11 -12.530 0.411 3.609 1.00 0.00 N ATOM 244 C5 C A 11 -10.643 -0.152 2.207 1.00 0.00 C ATOM 245 C6 C A 11 -9.328 -0.249 2.064 1.00 0.00 C ATOM 0 H5' C A 11 -5.933 -1.358 -0.954 1.00 0.00 H new ATOM 0 H5'' C A 11 -5.224 -2.760 -0.178 1.00 0.00 H new ATOM 0 H4' C A 11 -4.630 -0.637 0.895 1.00 0.00 H new ATOM 0 H3' C A 11 -5.537 -2.993 2.271 1.00 0.00 H new ATOM 0 H2' C A 11 -7.368 -2.168 3.377 1.00 0.00 H new ATOM 0 HO2' C A 11 -5.543 -0.757 4.945 1.00 0.00 H new ATOM 0 H1' C A 11 -6.456 0.747 3.356 1.00 0.00 H new ATOM 0 H41 C A 11 -13.144 0.140 2.841 1.00 0.00 H new ATOM 0 H42 C A 11 -12.928 0.740 4.488 1.00 0.00 H new ATOM 0 H5 C A 11 -11.305 -0.431 1.401 1.00 0.00 H new ATOM 0 H6 C A 11 -8.939 -0.615 1.125 1.00 0.00 H new ATOM 257 P A A 12 -2.951 -2.793 2.896 1.00 0.00 P ATOM 258 OP1 A A 12 -1.727 -2.145 3.422 1.00 0.00 O ATOM 259 OP2 A A 12 -2.880 -3.344 1.523 1.00 0.00 O ATOM 260 O5' A A 12 -3.393 -3.952 3.881 1.00 0.00 O ATOM 261 C5' A A 12 -3.697 -3.724 5.254 1.00 0.00 C ATOM 262 C4' A A 12 -3.355 -4.926 6.153 1.00 0.00 C ATOM 263 O4' A A 12 -3.839 -6.177 5.559 1.00 0.00 O ATOM 264 C3' A A 12 -1.858 -5.167 6.359 1.00 0.00 C ATOM 265 O3' A A 12 -1.287 -4.314 7.358 1.00 0.00 O ATOM 266 C2' A A 12 -1.810 -6.649 6.722 1.00 0.00 C ATOM 267 O2' A A 12 -2.015 -6.929 8.105 1.00 0.00 O ATOM 268 C1' A A 12 -2.925 -7.243 5.850 1.00 0.00 C ATOM 269 N9 A A 12 -2.471 -7.956 4.606 1.00 0.00 N ATOM 270 C8 A A 12 -2.564 -7.607 3.277 1.00 0.00 C ATOM 271 N7 A A 12 -2.093 -8.501 2.448 1.00 0.00 N ATOM 272 C5 A A 12 -1.650 -9.517 3.246 1.00 0.00 C ATOM 273 C6 A A 12 -1.051 -10.740 2.889 1.00 0.00 C ATOM 274 N6 A A 12 -0.873 -11.037 1.564 1.00 0.00 N ATOM 275 N1 A A 12 -0.714 -11.549 3.947 1.00 0.00 N ATOM 276 C2 A A 12 -0.964 -11.152 5.199 1.00 0.00 C ATOM 277 N3 A A 12 -1.526 -10.025 5.632 1.00 0.00 N ATOM 278 C4 A A 12 -1.858 -9.225 4.586 1.00 0.00 C ATOM 0 H5' A A 12 -4.758 -3.494 5.352 1.00 0.00 H new ATOM 0 H5'' A A 12 -3.148 -2.849 5.602 1.00 0.00 H new ATOM 0 H4' A A 12 -3.828 -4.671 7.101 1.00 0.00 H new ATOM 0 H3' A A 12 -1.257 -4.928 5.481 1.00 0.00 H new ATOM 0 H2' A A 12 -0.822 -7.074 6.542 1.00 0.00 H new ATOM 0 HO2' A A 12 -1.193 -7.300 8.489 1.00 0.00 H new ATOM 0 H1' A A 12 -3.402 -8.044 6.414 1.00 0.00 H new ATOM 0 H8 A A 12 -2.991 -6.672 2.947 1.00 0.00 H new ATOM 0 H61 A A 12 -0.440 -11.920 1.293 1.00 0.00 H new ATOM 0 H62 A A 12 -1.173 -10.375 0.848 1.00 0.00 H new ATOM 0 H2 A A 12 -0.667 -11.846 5.971 1.00 0.00 H new ATOM 290 P A A 13 0.185 -3.716 7.223 1.00 0.00 P ATOM 291 OP1 A A 13 0.386 -2.717 8.299 1.00 0.00 O ATOM 292 OP2 A A 13 0.390 -3.240 5.838 1.00 0.00 O ATOM 293 O5' A A 13 1.137 -4.973 7.465 1.00 0.00 O ATOM 294 C5' A A 13 1.301 -5.536 8.765 1.00 0.00 C ATOM 295 C4' A A 13 1.831 -6.992 8.743 1.00 0.00 C ATOM 296 O4' A A 13 0.950 -7.877 7.966 1.00 0.00 O ATOM 297 C3' A A 13 3.205 -7.198 8.097 1.00 0.00 C ATOM 298 O3' A A 13 4.312 -6.873 8.942 1.00 0.00 O ATOM 299 C2' A A 13 3.159 -8.687 7.738 1.00 0.00 C ATOM 300 O2' A A 13 3.397 -9.568 8.839 1.00 0.00 O ATOM 301 C1' A A 13 1.729 -8.829 7.208 1.00 0.00 C ATOM 302 N9 A A 13 1.604 -8.626 5.719 1.00 0.00 N ATOM 303 C8 A A 13 1.144 -7.546 5.025 1.00 0.00 C ATOM 304 N7 A A 13 1.155 -7.672 3.726 1.00 0.00 N ATOM 305 C5 A A 13 1.658 -8.917 3.507 1.00 0.00 C ATOM 306 C6 A A 13 1.893 -9.581 2.290 1.00 0.00 C ATOM 307 N6 A A 13 1.595 -8.953 1.107 1.00 0.00 N ATOM 308 N1 A A 13 2.414 -10.845 2.416 1.00 0.00 N ATOM 309 C2 A A 13 2.656 -11.351 3.630 1.00 0.00 C ATOM 310 N3 A A 13 2.468 -10.803 4.834 1.00 0.00 N ATOM 311 C4 A A 13 1.953 -9.553 4.707 1.00 0.00 C ATOM 0 H5' A A 13 0.344 -5.514 9.286 1.00 0.00 H new ATOM 0 H5'' A A 13 1.990 -4.915 9.337 1.00 0.00 H new ATOM 0 H4' A A 13 1.881 -7.223 9.807 1.00 0.00 H new ATOM 0 H3' A A 13 3.371 -6.533 7.249 1.00 0.00 H new ATOM 0 H2' A A 13 3.945 -8.967 7.036 1.00 0.00 H new ATOM 0 HO2' A A 13 3.979 -9.126 9.492 1.00 0.00 H new ATOM 0 H1' A A 13 1.370 -9.849 7.342 1.00 0.00 H new ATOM 0 H8 A A 13 0.795 -6.649 5.516 1.00 0.00 H new ATOM 0 H61 A A 13 1.763 -9.429 0.221 1.00 0.00 H new ATOM 0 H62 A A 13 1.206 -8.010 1.114 1.00 0.00 H new ATOM 0 H2 A A 13 3.064 -12.351 3.638 1.00 0.00 H new ATOM 323 P A A 14 5.614 -6.146 8.368 1.00 0.00 P ATOM 324 OP1 A A 14 6.581 -5.981 9.477 1.00 0.00 O ATOM 325 OP2 A A 14 5.203 -4.911 7.660 1.00 0.00 O ATOM 326 O5' A A 14 6.208 -7.158 7.290 1.00 0.00 O ATOM 327 C5' A A 14 6.806 -8.398 7.647 1.00 0.00 C ATOM 328 C4' A A 14 6.976 -9.389 6.463 1.00 0.00 C ATOM 329 O4' A A 14 5.687 -9.732 5.842 1.00 0.00 O ATOM 330 C3' A A 14 7.831 -8.893 5.296 1.00 0.00 C ATOM 331 O3' A A 14 9.229 -9.073 5.519 1.00 0.00 O ATOM 332 C2' A A 14 7.273 -9.710 4.119 1.00 0.00 C ATOM 333 O2' A A 14 7.775 -11.041 4.016 1.00 0.00 O ATOM 334 C1' A A 14 5.771 -9.698 4.405 1.00 0.00 C ATOM 335 N9 A A 14 5.093 -8.478 3.829 1.00 0.00 N ATOM 336 C8 A A 14 4.602 -7.389 4.485 1.00 0.00 C ATOM 337 N7 A A 14 4.101 -6.451 3.727 1.00 0.00 N ATOM 338 C5 A A 14 4.257 -6.928 2.458 1.00 0.00 C ATOM 339 C6 A A 14 3.899 -6.339 1.232 1.00 0.00 C ATOM 340 N6 A A 14 3.309 -5.105 1.223 1.00 0.00 N ATOM 341 N1 A A 14 4.195 -7.088 0.123 1.00 0.00 N ATOM 342 C2 A A 14 4.780 -8.282 0.258 1.00 0.00 C ATOM 343 N3 A A 14 5.158 -8.924 1.367 1.00 0.00 N ATOM 344 C4 A A 14 4.864 -8.181 2.465 1.00 0.00 C ATOM 0 H5' A A 14 6.199 -8.872 8.418 1.00 0.00 H new ATOM 0 H5'' A A 14 7.784 -8.203 8.086 1.00 0.00 H new ATOM 0 H4' A A 14 7.468 -10.230 6.951 1.00 0.00 H new ATOM 0 H3' A A 14 7.768 -7.818 5.128 1.00 0.00 H new ATOM 0 H2' A A 14 7.564 -9.281 3.160 1.00 0.00 H new ATOM 0 HO2' A A 14 8.255 -11.145 3.168 1.00 0.00 H new ATOM 0 H1' A A 14 5.257 -10.539 3.940 1.00 0.00 H new ATOM 0 H8 A A 14 4.626 -7.307 5.562 1.00 0.00 H new ATOM 0 H61 A A 14 3.047 -4.672 0.338 1.00 0.00 H new ATOM 0 H62 A A 14 3.131 -4.618 2.102 1.00 0.00 H new ATOM 0 H2 A A 14 4.976 -8.805 -0.666 1.00 0.00 H new ATOM 356 P G A 15 10.323 -8.085 4.902 1.00 0.00 P ATOM 357 OP1 G A 15 11.645 -8.446 5.466 1.00 0.00 O ATOM 358 OP2 G A 15 9.887 -6.682 5.091 1.00 0.00 O ATOM 359 O5' G A 15 10.307 -8.407 3.340 1.00 0.00 O ATOM 360 C5' G A 15 10.684 -9.699 2.870 1.00 0.00 C ATOM 361 C4' G A 15 10.161 -10.014 1.448 1.00 0.00 C ATOM 362 O4' G A 15 8.728 -9.776 1.276 1.00 0.00 O ATOM 363 C3' G A 15 10.840 -9.262 0.308 1.00 0.00 C ATOM 364 O3' G A 15 12.049 -9.918 -0.073 1.00 0.00 O ATOM 365 C2' G A 15 9.763 -9.269 -0.781 1.00 0.00 C ATOM 366 O2' G A 15 9.748 -10.438 -1.598 1.00 0.00 O ATOM 367 C1' G A 15 8.473 -9.118 0.027 1.00 0.00 C ATOM 368 N9 G A 15 8.001 -7.709 0.258 1.00 0.00 N ATOM 369 C8 G A 15 7.915 -7.024 1.432 1.00 0.00 C ATOM 370 N7 G A 15 7.470 -5.792 1.326 1.00 0.00 N ATOM 371 C5 G A 15 7.236 -5.626 -0.013 1.00 0.00 C ATOM 372 C6 G A 15 6.750 -4.489 -0.685 1.00 0.00 C ATOM 373 O6 G A 15 6.455 -3.409 -0.157 1.00 0.00 O ATOM 374 N1 G A 15 6.645 -4.726 -2.088 1.00 0.00 N ATOM 375 C2 G A 15 6.974 -5.923 -2.755 1.00 0.00 C ATOM 376 N2 G A 15 6.774 -5.857 -4.099 1.00 0.00 N ATOM 377 N3 G A 15 7.440 -6.995 -2.062 1.00 0.00 N ATOM 378 C4 G A 15 7.550 -6.795 -0.720 1.00 0.00 C ATOM 0 H5' G A 15 10.309 -10.453 3.562 1.00 0.00 H new ATOM 0 H5'' G A 15 11.771 -9.776 2.874 1.00 0.00 H new ATOM 0 H4' G A 15 10.404 -11.075 1.382 1.00 0.00 H new ATOM 0 H3' G A 15 11.159 -8.249 0.552 1.00 0.00 H new ATOM 0 H2' G A 15 9.929 -8.480 -1.515 1.00 0.00 H new ATOM 0 HO2' G A 15 10.615 -10.890 -1.538 1.00 0.00 H new ATOM 0 H1' G A 15 7.656 -9.556 -0.546 1.00 0.00 H new ATOM 0 H8 G A 15 8.192 -7.461 2.380 1.00 0.00 H new ATOM 0 H1 G A 15 6.299 -3.957 -2.662 1.00 0.00 H new ATOM 0 H21 G A 15 6.979 -6.666 -4.685 1.00 0.00 H new ATOM 0 H22 G A 15 6.419 -4.998 -4.520 1.00 0.00 H new ATOM 390 P C A 16 13.399 -9.154 -0.409 1.00 0.00 P ATOM 391 OP1 C A 16 14.489 -10.153 -0.514 1.00 0.00 O ATOM 392 OP2 C A 16 13.602 -8.051 0.559 1.00 0.00 O ATOM 393 O5' C A 16 13.117 -8.523 -1.837 1.00 0.00 O ATOM 394 C5' C A 16 12.945 -9.334 -2.995 1.00 0.00 C ATOM 395 C4' C A 16 12.289 -8.571 -4.170 1.00 0.00 C ATOM 396 O4' C A 16 10.913 -8.146 -3.866 1.00 0.00 O ATOM 397 C3' C A 16 12.998 -7.273 -4.576 1.00 0.00 C ATOM 398 O3' C A 16 14.151 -7.520 -5.379 1.00 0.00 O ATOM 399 C2' C A 16 11.881 -6.508 -5.289 1.00 0.00 C ATOM 400 O2' C A 16 11.601 -6.992 -6.606 1.00 0.00 O ATOM 401 C1' C A 16 10.703 -6.785 -4.324 1.00 0.00 C ATOM 402 N1 C A 16 10.497 -5.813 -3.164 1.00 0.00 N ATOM 403 C2 C A 16 9.982 -4.490 -3.443 1.00 0.00 C ATOM 404 O2 C A 16 9.711 -4.104 -4.597 1.00 0.00 O ATOM 405 N3 C A 16 9.791 -3.628 -2.381 1.00 0.00 N ATOM 406 C4 C A 16 10.069 -3.981 -1.100 1.00 0.00 C ATOM 407 N4 C A 16 9.879 -3.128 -0.052 1.00 0.00 N ATOM 408 C5 C A 16 10.581 -5.292 -0.816 1.00 0.00 C ATOM 409 C6 C A 16 10.770 -6.141 -1.836 1.00 0.00 C ATOM 0 H5' C A 16 12.330 -10.197 -2.740 1.00 0.00 H new ATOM 0 H5'' C A 16 13.915 -9.716 -3.313 1.00 0.00 H new ATOM 0 H4' C A 16 12.345 -9.306 -4.973 1.00 0.00 H new ATOM 0 H3' C A 16 13.416 -6.707 -3.744 1.00 0.00 H new ATOM 0 H2' C A 16 12.115 -5.458 -5.463 1.00 0.00 H new ATOM 0 HO2' C A 16 10.879 -6.462 -7.003 1.00 0.00 H new ATOM 0 H1' C A 16 9.771 -6.637 -4.870 1.00 0.00 H new ATOM 0 H41 C A 16 10.099 -3.429 0.897 1.00 0.00 H new ATOM 0 H42 C A 16 9.516 -2.189 -0.218 1.00 0.00 H new ATOM 0 H5 C A 16 10.809 -5.588 0.197 1.00 0.00 H new ATOM 0 H6 C A 16 11.152 -7.127 -1.619 1.00 0.00 H new ATOM 421 P G A 17 15.511 -6.708 -5.199 1.00 0.00 P ATOM 422 OP1 G A 17 16.592 -7.447 -5.893 1.00 0.00 O ATOM 423 OP2 G A 17 15.738 -6.406 -3.766 1.00 0.00 O ATOM 424 O5' G A 17 15.220 -5.337 -5.957 1.00 0.00 O ATOM 425 C5' G A 17 15.095 -5.329 -7.380 1.00 0.00 C ATOM 426 C4' G A 17 14.450 -4.035 -7.916 1.00 0.00 C ATOM 427 O4' G A 17 13.139 -3.794 -7.292 1.00 0.00 O ATOM 428 C3' G A 17 15.244 -2.740 -7.673 1.00 0.00 C ATOM 429 O3' G A 17 16.302 -2.579 -8.627 1.00 0.00 O ATOM 430 C2' G A 17 14.124 -1.690 -7.752 1.00 0.00 C ATOM 431 O2' G A 17 13.777 -1.337 -9.091 1.00 0.00 O ATOM 432 C1' G A 17 12.965 -2.391 -7.041 1.00 0.00 C ATOM 433 N9 G A 17 12.762 -2.099 -5.586 1.00 0.00 N ATOM 434 C8 G A 17 12.803 -2.937 -4.506 1.00 0.00 C ATOM 435 N7 G A 17 12.560 -2.365 -3.356 1.00 0.00 N ATOM 436 C5 G A 17 12.339 -1.057 -3.665 1.00 0.00 C ATOM 437 C6 G A 17 12.033 -0.008 -2.797 1.00 0.00 C ATOM 438 O6 G A 17 11.909 -0.111 -1.574 1.00 0.00 O ATOM 439 N1 G A 17 11.872 1.218 -3.498 1.00 0.00 N ATOM 440 C2 G A 17 11.996 1.403 -4.888 1.00 0.00 C ATOM 441 N2 G A 17 11.788 2.691 -5.280 1.00 0.00 N ATOM 442 N3 G A 17 12.295 0.350 -5.695 1.00 0.00 N ATOM 443 C4 G A 17 12.452 -0.836 -5.039 1.00 0.00 C ATOM 0 H5' G A 17 14.496 -6.184 -7.692 1.00 0.00 H new ATOM 0 H5'' G A 17 16.081 -5.450 -7.828 1.00 0.00 H new ATOM 0 H4' G A 17 14.400 -4.227 -8.988 1.00 0.00 H new ATOM 0 H3' G A 17 15.790 -2.690 -6.731 1.00 0.00 H new ATOM 0 H2' G A 17 14.413 -0.740 -7.304 1.00 0.00 H new ATOM 0 HO2' G A 17 14.517 -0.842 -9.501 1.00 0.00 H new ATOM 0 H1' G A 17 12.040 -1.988 -7.454 1.00 0.00 H new ATOM 0 H8 G A 17 13.020 -3.991 -4.596 1.00 0.00 H new ATOM 0 H1 G A 17 11.645 2.042 -2.941 1.00 0.00 H new ATOM 0 H21 G A 17 11.853 2.941 -6.267 1.00 0.00 H new ATOM 0 H22 G A 17 11.567 3.406 -4.587 1.00 0.00 H new ATOM 455 P C A 18 17.371 -1.398 -8.576 1.00 0.00 P ATOM 456 OP1 C A 18 18.371 -1.631 -9.644 1.00 0.00 O ATOM 457 OP2 C A 18 17.879 -1.231 -7.195 1.00 0.00 O ATOM 458 O5' C A 18 16.464 -0.166 -8.955 1.00 0.00 O ATOM 459 C5' C A 18 16.851 1.080 -9.487 1.00 0.00 C ATOM 460 C4' C A 18 16.612 2.265 -8.517 1.00 0.00 C ATOM 461 O4' C A 18 15.423 2.102 -7.674 1.00 0.00 O ATOM 462 C3' C A 18 17.730 2.527 -7.524 1.00 0.00 C ATOM 463 O3' C A 18 18.864 3.157 -8.116 1.00 0.00 O ATOM 464 C2' C A 18 17.046 3.377 -6.451 1.00 0.00 C ATOM 465 O2' C A 18 16.982 4.771 -6.756 1.00 0.00 O ATOM 466 C1' C A 18 15.628 2.769 -6.406 1.00 0.00 C ATOM 467 N1 C A 18 15.453 1.890 -5.217 1.00 0.00 N ATOM 468 C2 C A 18 15.206 2.482 -3.915 1.00 0.00 C ATOM 469 O2 C A 18 15.099 3.713 -3.745 1.00 0.00 O ATOM 470 N3 C A 18 15.084 1.639 -2.832 1.00 0.00 N ATOM 471 C4 C A 18 15.190 0.291 -2.973 1.00 0.00 C ATOM 472 N4 C A 18 15.077 -0.556 -1.910 1.00 0.00 N ATOM 473 C5 C A 18 15.431 -0.273 -4.278 1.00 0.00 C ATOM 474 C6 C A 18 15.551 0.535 -5.328 1.00 0.00 C ATOM 0 H5' C A 18 16.300 1.259 -10.410 1.00 0.00 H new ATOM 0 H5'' C A 18 17.908 1.042 -9.749 1.00 0.00 H new ATOM 0 H4' C A 18 16.518 3.089 -9.224 1.00 0.00 H new ATOM 0 H3' C A 18 18.160 1.613 -7.116 1.00 0.00 H new ATOM 0 H2' C A 18 17.595 3.349 -5.510 1.00 0.00 H new ATOM 0 HO2' C A 18 17.680 4.996 -7.406 1.00 0.00 H new ATOM 0 HO3' C A 18 19.551 3.303 -7.433 1.00 0.00 H new ATOM 0 H1' C A 18 14.861 3.533 -6.282 1.00 0.00 H new ATOM 0 H41 C A 18 15.161 -1.563 -2.049 1.00 0.00 H new ATOM 0 H42 C A 18 14.908 -0.182 -0.976 1.00 0.00 H new ATOM 0 H5 C A 18 15.513 -1.343 -4.402 1.00 0.00 H new ATOM 0 H6 C A 18 15.732 0.103 -6.301 1.00 0.00 H new TER 487 C A 18 ATOM 488 N ASN B 1 10.283 0.751 4.993 1.00 0.00 N ATOM 489 CA ASN B 1 9.707 1.100 3.658 1.00 0.00 C ATOM 490 C ASN B 1 8.512 2.048 3.733 1.00 0.00 C ATOM 491 O ASN B 1 7.981 2.298 4.822 1.00 0.00 O ATOM 492 CB ASN B 1 9.414 -0.217 2.847 1.00 0.00 C ATOM 493 CG ASN B 1 8.126 -0.972 3.247 1.00 0.00 C ATOM 494 OD1 ASN B 1 7.279 -1.252 2.208 1.00 0.00 O flip ATOM 495 ND2 ASN B 1 7.892 -1.307 4.414 1.00 0.00 N flip ATOM 0 H1 ASN B 1 11.272 1.069 5.038 1.00 0.00 H new ATOM 0 H2 ASN B 1 9.734 1.221 5.741 1.00 0.00 H new ATOM 0 H3 ASN B 1 10.244 -0.279 5.129 1.00 0.00 H new ATOM 0 HA ASN B 1 10.454 1.675 3.111 1.00 0.00 H new ATOM 0 HB2 ASN B 1 9.353 0.035 1.788 1.00 0.00 H new ATOM 0 HB3 ASN B 1 10.262 -0.892 2.965 1.00 0.00 H new ATOM 0 HD21 ASN B 1 8.555 -1.075 5.154 1.00 0.00 H new ATOM 0 HD22 ASN B 1 7.036 -1.815 4.637 1.00 0.00 H new ATOM 503 N ALA B 2 8.059 2.593 2.554 1.00 0.00 N ATOM 504 CA ALA B 2 6.919 3.488 2.450 1.00 0.00 C ATOM 505 C ALA B 2 5.681 2.621 2.324 1.00 0.00 C ATOM 506 O ALA B 2 5.264 2.228 1.227 1.00 0.00 O ATOM 507 CB ALA B 2 6.982 4.544 1.324 1.00 0.00 C ATOM 0 H ALA B 2 8.502 2.402 1.655 1.00 0.00 H new ATOM 0 HA ALA B 2 6.908 4.101 3.351 1.00 0.00 H new ATOM 0 HB1 ALA B 2 6.078 5.153 1.345 1.00 0.00 H new ATOM 0 HB2 ALA B 2 7.853 5.183 1.472 1.00 0.00 H new ATOM 0 HB3 ALA B 2 7.060 4.043 0.359 1.00 0.00 H new ATOM 513 N LYS B 3 5.103 2.293 3.513 1.00 0.00 N ATOM 514 CA LYS B 3 3.917 1.494 3.711 1.00 0.00 C ATOM 515 C LYS B 3 2.728 2.439 3.843 1.00 0.00 C ATOM 516 O LYS B 3 1.870 2.423 2.966 1.00 0.00 O ATOM 517 CB LYS B 3 4.041 0.467 4.889 1.00 0.00 C ATOM 518 CG LYS B 3 2.827 -0.475 5.118 1.00 0.00 C ATOM 519 CD LYS B 3 2.456 -1.462 3.978 1.00 0.00 C ATOM 520 CE LYS B 3 3.192 -2.819 3.967 1.00 0.00 C ATOM 521 NZ LYS B 3 4.535 -2.759 3.340 1.00 0.00 N ATOM 0 H LYS B 3 5.498 2.612 4.398 1.00 0.00 H new ATOM 0 HA LYS B 3 3.767 0.852 2.843 1.00 0.00 H new ATOM 0 HB2 LYS B 3 4.923 -0.149 4.713 1.00 0.00 H new ATOM 0 HB3 LYS B 3 4.220 1.023 5.809 1.00 0.00 H new ATOM 0 HG2 LYS B 3 3.020 -1.059 6.018 1.00 0.00 H new ATOM 0 HG3 LYS B 3 1.954 0.146 5.322 1.00 0.00 H new ATOM 0 HD2 LYS B 3 1.385 -1.657 4.032 1.00 0.00 H new ATOM 0 HD3 LYS B 3 2.642 -0.966 3.025 1.00 0.00 H new ATOM 0 HE2 LYS B 3 3.294 -3.176 4.992 1.00 0.00 H new ATOM 0 HE3 LYS B 3 2.583 -3.549 3.434 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 4.945 -3.714 3.305 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 4.451 -2.383 2.374 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 5.153 -2.138 3.901 1.00 0.00 H new ATOM 535 N THR B 4 2.664 3.282 4.926 1.00 0.00 N ATOM 536 CA THR B 4 1.594 4.242 5.240 1.00 0.00 C ATOM 537 C THR B 4 1.507 5.401 4.257 1.00 0.00 C ATOM 538 O THR B 4 0.399 5.724 3.827 1.00 0.00 O ATOM 539 CB THR B 4 1.536 4.759 6.693 1.00 0.00 C ATOM 540 OG1 THR B 4 2.814 5.155 7.184 1.00 0.00 O ATOM 541 CG2 THR B 4 0.903 3.688 7.621 1.00 0.00 C ATOM 0 H THR B 4 3.404 3.296 5.628 1.00 0.00 H new ATOM 0 HA THR B 4 0.707 3.619 5.125 1.00 0.00 H new ATOM 0 HB THR B 4 0.908 5.650 6.692 1.00 0.00 H new ATOM 0 HG1 THR B 4 2.725 5.476 8.106 1.00 0.00 H new ATOM 0 HG21 THR B 4 0.869 4.066 8.643 1.00 0.00 H new ATOM 0 HG22 THR B 4 -0.109 3.465 7.282 1.00 0.00 H new ATOM 0 HG23 THR B 4 1.504 2.779 7.591 1.00 0.00 H new ATOM 549 N ARG B 5 2.657 6.022 3.857 1.00 0.00 N ATOM 550 CA ARG B 5 2.759 7.106 2.883 1.00 0.00 C ATOM 551 C ARG B 5 2.106 6.694 1.545 1.00 0.00 C ATOM 552 O ARG B 5 1.330 7.472 0.984 1.00 0.00 O ATOM 553 CB ARG B 5 4.253 7.539 2.732 1.00 0.00 C ATOM 554 CG ARG B 5 4.571 8.696 1.756 1.00 0.00 C ATOM 555 CD ARG B 5 4.097 10.102 2.149 1.00 0.00 C ATOM 556 NE ARG B 5 4.513 11.027 1.030 1.00 0.00 N ATOM 557 CZ ARG B 5 4.165 12.349 0.913 1.00 0.00 C ATOM 558 NH1 ARG B 5 3.411 13.003 1.847 1.00 0.00 N ATOM 559 NH2 ARG B 5 4.591 13.039 -0.188 1.00 0.00 N ATOM 0 H ARG B 5 3.567 5.754 4.233 1.00 0.00 H new ATOM 0 HA ARG B 5 2.207 7.977 3.236 1.00 0.00 H new ATOM 0 HB2 ARG B 5 4.622 7.821 3.718 1.00 0.00 H new ATOM 0 HB3 ARG B 5 4.825 6.667 2.416 1.00 0.00 H new ATOM 0 HG2 ARG B 5 5.651 8.732 1.616 1.00 0.00 H new ATOM 0 HG3 ARG B 5 4.133 8.451 0.789 1.00 0.00 H new ATOM 0 HD2 ARG B 5 3.016 10.122 2.286 1.00 0.00 H new ATOM 0 HD3 ARG B 5 4.544 10.411 3.094 1.00 0.00 H new ATOM 0 HE ARG B 5 5.104 10.635 0.297 1.00 0.00 H new ATOM 0 HH11 ARG B 5 3.082 12.507 2.675 1.00 0.00 H new ATOM 0 HH12 ARG B 5 3.178 13.987 1.716 1.00 0.00 H new ATOM 0 HH21 ARG B 5 5.153 12.570 -0.898 1.00 0.00 H new ATOM 0 HH22 ARG B 5 4.346 14.023 -0.299 1.00 0.00 H new ATOM 573 N ARG B 6 2.374 5.441 1.057 1.00 0.00 N ATOM 574 CA ARG B 6 1.804 4.807 -0.122 1.00 0.00 C ATOM 575 C ARG B 6 0.313 4.548 0.154 1.00 0.00 C ATOM 576 O ARG B 6 -0.536 5.057 -0.584 1.00 0.00 O ATOM 577 CB ARG B 6 2.562 3.481 -0.474 1.00 0.00 C ATOM 578 CG ARG B 6 1.854 2.513 -1.457 1.00 0.00 C ATOM 579 CD ARG B 6 2.532 1.144 -1.581 1.00 0.00 C ATOM 580 NE ARG B 6 1.587 0.139 -2.190 1.00 0.00 N ATOM 581 CZ ARG B 6 1.299 0.005 -3.526 1.00 0.00 C ATOM 582 NH1 ARG B 6 1.683 0.930 -4.452 1.00 0.00 N ATOM 583 NH2 ARG B 6 0.625 -1.109 -3.946 1.00 0.00 N ATOM 0 H ARG B 6 3.041 4.828 1.526 1.00 0.00 H new ATOM 0 HA ARG B 6 1.910 5.461 -0.987 1.00 0.00 H new ATOM 0 HB2 ARG B 6 3.532 3.745 -0.896 1.00 0.00 H new ATOM 0 HB3 ARG B 6 2.754 2.943 0.454 1.00 0.00 H new ATOM 0 HG2 ARG B 6 0.824 2.369 -1.130 1.00 0.00 H new ATOM 0 HG3 ARG B 6 1.814 2.978 -2.442 1.00 0.00 H new ATOM 0 HD2 ARG B 6 3.427 1.230 -2.197 1.00 0.00 H new ATOM 0 HD3 ARG B 6 2.853 0.800 -0.598 1.00 0.00 H new ATOM 0 HE ARG B 6 1.118 -0.501 -1.550 1.00 0.00 H new ATOM 0 HH11 ARG B 6 2.203 1.757 -4.161 1.00 0.00 H new ATOM 0 HH12 ARG B 6 1.450 0.794 -5.436 1.00 0.00 H new ATOM 0 HH21 ARG B 6 0.346 -1.821 -3.271 1.00 0.00 H new ATOM 0 HH22 ARG B 6 0.401 -1.228 -4.934 1.00 0.00 H new ATOM 597 N HIS B 7 -0.010 3.733 1.216 1.00 0.00 N ATOM 598 CA HIS B 7 -1.309 3.305 1.703 1.00 0.00 C ATOM 599 C HIS B 7 -2.344 4.405 1.662 1.00 0.00 C ATOM 600 O HIS B 7 -3.376 4.180 1.056 1.00 0.00 O ATOM 601 CB HIS B 7 -1.249 2.678 3.126 1.00 0.00 C ATOM 602 CG HIS B 7 -2.569 2.246 3.698 1.00 0.00 C ATOM 603 ND1 HIS B 7 -3.598 3.002 4.142 1.00 0.00 N flip ATOM 604 CD2 HIS B 7 -2.915 0.940 3.894 1.00 0.00 C flip ATOM 605 CE1 HIS B 7 -4.556 2.147 4.609 1.00 0.00 C flip ATOM 606 NE2 HIS B 7 -4.122 0.907 4.441 1.00 0.00 N flip ATOM 0 H HIS B 7 0.733 3.336 1.790 1.00 0.00 H new ATOM 0 HA HIS B 7 -1.621 2.525 1.009 1.00 0.00 H new ATOM 0 HB2 HIS B 7 -0.586 1.814 3.096 1.00 0.00 H new ATOM 0 HB3 HIS B 7 -0.798 3.402 3.805 1.00 0.00 H new ATOM 0 HD1 HIS B 7 -3.650 4.021 4.131 1.00 0.00 H new ATOM 0 HD2 HIS B 7 -2.309 0.081 3.646 1.00 0.00 H new ATOM 0 HE1 HIS B 7 -5.504 2.433 5.041 1.00 0.00 H new ATOM 615 N GLU B 8 -2.100 5.601 2.275 1.00 0.00 N ATOM 616 CA GLU B 8 -2.964 6.774 2.332 1.00 0.00 C ATOM 617 C GLU B 8 -3.754 7.043 1.032 1.00 0.00 C ATOM 618 O GLU B 8 -4.978 7.168 1.089 1.00 0.00 O ATOM 619 CB GLU B 8 -2.136 8.026 2.776 1.00 0.00 C ATOM 620 CG GLU B 8 -2.985 9.173 3.369 1.00 0.00 C ATOM 621 CD GLU B 8 -2.104 10.362 3.762 1.00 0.00 C ATOM 622 OE1 GLU B 8 -1.571 11.045 2.845 1.00 0.00 O ATOM 623 OE2 GLU B 8 -1.964 10.611 4.990 1.00 0.00 O ATOM 0 H GLU B 8 -1.224 5.761 2.773 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.728 6.562 3.080 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -1.399 7.715 3.516 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -1.584 8.405 1.916 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -3.730 9.493 2.640 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -3.528 8.814 4.243 1.00 0.00 H new ATOM 630 N ARG B 9 -3.065 7.091 -0.151 1.00 0.00 N ATOM 631 CA ARG B 9 -3.612 7.298 -1.491 1.00 0.00 C ATOM 632 C ARG B 9 -4.248 6.011 -2.034 1.00 0.00 C ATOM 633 O ARG B 9 -5.398 6.044 -2.474 1.00 0.00 O ATOM 634 CB ARG B 9 -2.553 7.817 -2.523 1.00 0.00 C ATOM 635 CG ARG B 9 -1.977 9.246 -2.325 1.00 0.00 C ATOM 636 CD ARG B 9 -1.107 9.474 -1.068 1.00 0.00 C ATOM 637 NE ARG B 9 -0.325 10.759 -1.239 1.00 0.00 N ATOM 638 CZ ARG B 9 1.044 10.854 -1.314 1.00 0.00 C ATOM 639 NH1 ARG B 9 1.873 9.815 -1.002 1.00 0.00 N ATOM 640 NH2 ARG B 9 1.596 12.036 -1.722 1.00 0.00 N ATOM 0 H ARG B 9 -2.052 6.977 -0.172 1.00 0.00 H new ATOM 0 HA ARG B 9 -4.370 8.072 -1.377 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -1.717 7.118 -2.523 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -3.005 7.774 -3.514 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -1.381 9.497 -3.202 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -2.810 9.948 -2.294 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -1.736 9.531 -0.180 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -0.426 8.635 -0.923 1.00 0.00 H new ATOM 0 HE ARG B 9 -0.858 11.626 -1.304 1.00 0.00 H new ATOM 0 HH11 ARG B 9 1.481 8.923 -0.699 1.00 0.00 H new ATOM 0 HH12 ARG B 9 2.884 9.930 -1.072 1.00 0.00 H new ATOM 0 HH21 ARG B 9 0.994 12.824 -1.963 1.00 0.00 H new ATOM 0 HH22 ARG B 9 2.610 12.130 -1.785 1.00 0.00 H new ATOM 654 N ARG B 10 -3.520 4.849 -2.005 1.00 0.00 N ATOM 655 CA ARG B 10 -3.923 3.508 -2.446 1.00 0.00 C ATOM 656 C ARG B 10 -5.258 3.069 -1.807 1.00 0.00 C ATOM 657 O ARG B 10 -6.139 2.586 -2.516 1.00 0.00 O ATOM 658 CB ARG B 10 -2.730 2.522 -2.185 1.00 0.00 C ATOM 659 CG ARG B 10 -2.752 1.091 -2.782 1.00 0.00 C ATOM 660 CD ARG B 10 -3.509 0.033 -1.956 1.00 0.00 C ATOM 661 NE ARG B 10 -3.100 -1.358 -2.400 1.00 0.00 N ATOM 662 CZ ARG B 10 -3.880 -2.268 -3.069 1.00 0.00 C ATOM 663 NH1 ARG B 10 -5.120 -1.978 -3.553 1.00 0.00 N ATOM 664 NH2 ARG B 10 -3.380 -3.528 -3.247 1.00 0.00 N ATOM 0 H ARG B 10 -2.567 4.846 -1.642 1.00 0.00 H new ATOM 0 HA ARG B 10 -4.129 3.507 -3.516 1.00 0.00 H new ATOM 0 HB2 ARG B 10 -1.824 3.009 -2.547 1.00 0.00 H new ATOM 0 HB3 ARG B 10 -2.627 2.419 -1.105 1.00 0.00 H new ATOM 0 HG2 ARG B 10 -3.200 1.138 -3.775 1.00 0.00 H new ATOM 0 HG3 ARG B 10 -1.723 0.756 -2.912 1.00 0.00 H new ATOM 0 HD2 ARG B 10 -3.293 0.164 -0.896 1.00 0.00 H new ATOM 0 HD3 ARG B 10 -4.584 0.163 -2.081 1.00 0.00 H new ATOM 0 HE ARG B 10 -2.147 -1.647 -2.179 1.00 0.00 H new ATOM 0 HH11 ARG B 10 -5.512 -1.045 -3.425 1.00 0.00 H new ATOM 0 HH12 ARG B 10 -5.656 -2.694 -4.043 1.00 0.00 H new ATOM 0 HH21 ARG B 10 -2.456 -3.765 -2.887 1.00 0.00 H new ATOM 0 HH22 ARG B 10 -3.931 -4.231 -3.739 1.00 0.00 H new ATOM 678 N ARG B 11 -5.444 3.293 -0.468 1.00 0.00 N ATOM 679 CA ARG B 11 -6.591 3.092 0.410 1.00 0.00 C ATOM 680 C ARG B 11 -7.801 3.756 -0.229 1.00 0.00 C ATOM 681 O ARG B 11 -8.761 3.041 -0.490 1.00 0.00 O ATOM 682 CB ARG B 11 -6.296 3.625 1.843 1.00 0.00 C ATOM 683 CG ARG B 11 -7.400 3.492 2.912 1.00 0.00 C ATOM 684 CD ARG B 11 -7.431 4.647 3.924 1.00 0.00 C ATOM 685 NE ARG B 11 -8.396 4.279 5.029 1.00 0.00 N ATOM 686 CZ ARG B 11 -9.609 4.869 5.286 1.00 0.00 C ATOM 687 NH1 ARG B 11 -10.067 5.959 4.603 1.00 0.00 N ATOM 688 NH2 ARG B 11 -10.393 4.335 6.273 1.00 0.00 N ATOM 0 H ARG B 11 -4.667 3.673 0.073 1.00 0.00 H new ATOM 0 HA ARG B 11 -6.800 2.029 0.528 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -5.410 3.110 2.214 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -6.039 4.681 1.759 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -8.368 3.432 2.415 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -7.260 2.555 3.450 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -6.435 4.823 4.331 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -7.744 5.571 3.438 1.00 0.00 H new ATOM 0 HE ARG B 11 -8.118 3.516 5.645 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -9.500 6.372 3.863 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -10.976 6.360 4.833 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -10.071 3.520 6.795 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -11.299 4.752 6.486 1.00 0.00 H new ATOM 702 N LYS B 12 -7.773 5.102 -0.526 1.00 0.00 N ATOM 703 CA LYS B 12 -8.823 5.894 -1.180 1.00 0.00 C ATOM 704 C LYS B 12 -9.441 5.136 -2.360 1.00 0.00 C ATOM 705 O LYS B 12 -10.646 4.883 -2.355 1.00 0.00 O ATOM 706 CB LYS B 12 -8.370 7.328 -1.618 1.00 0.00 C ATOM 707 CG LYS B 12 -7.943 8.269 -0.463 1.00 0.00 C ATOM 708 CD LYS B 12 -7.322 9.608 -0.919 1.00 0.00 C ATOM 709 CE LYS B 12 -6.807 10.489 0.234 1.00 0.00 C ATOM 710 NZ LYS B 12 -6.204 11.740 -0.284 1.00 0.00 N ATOM 0 H LYS B 12 -6.961 5.674 -0.293 1.00 0.00 H new ATOM 0 HA LYS B 12 -9.584 6.044 -0.414 1.00 0.00 H new ATOM 0 HB2 LYS B 12 -7.536 7.231 -2.313 1.00 0.00 H new ATOM 0 HB3 LYS B 12 -9.187 7.798 -2.165 1.00 0.00 H new ATOM 0 HG2 LYS B 12 -8.814 8.480 0.157 1.00 0.00 H new ATOM 0 HG3 LYS B 12 -7.223 7.746 0.167 1.00 0.00 H new ATOM 0 HD2 LYS B 12 -6.496 9.400 -1.599 1.00 0.00 H new ATOM 0 HD3 LYS B 12 -8.067 10.168 -1.484 1.00 0.00 H new ATOM 0 HE2 LYS B 12 -7.629 10.729 0.908 1.00 0.00 H new ATOM 0 HE3 LYS B 12 -6.068 9.938 0.816 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 -5.864 12.317 0.512 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 -5.406 11.508 -0.909 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 -6.918 12.274 -0.819 1.00 0.00 H new ATOM 724 N LEU B 13 -8.604 4.715 -3.354 1.00 0.00 N ATOM 725 CA LEU B 13 -8.971 3.944 -4.536 1.00 0.00 C ATOM 726 C LEU B 13 -9.530 2.576 -4.208 1.00 0.00 C ATOM 727 O LEU B 13 -10.621 2.257 -4.676 1.00 0.00 O ATOM 728 CB LEU B 13 -7.885 3.865 -5.623 1.00 0.00 C ATOM 729 CG LEU B 13 -7.554 5.233 -6.302 1.00 0.00 C ATOM 730 CD1 LEU B 13 -8.765 6.188 -6.564 1.00 0.00 C ATOM 731 CD2 LEU B 13 -6.344 5.943 -5.639 1.00 0.00 C ATOM 0 H LEU B 13 -7.606 4.926 -3.331 1.00 0.00 H new ATOM 0 HA LEU B 13 -9.778 4.529 -4.976 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -6.974 3.462 -5.181 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -8.206 3.160 -6.390 1.00 0.00 H new ATOM 0 HG LEU B 13 -7.254 4.953 -7.312 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -8.411 7.103 -7.038 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -9.482 5.694 -7.219 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -9.247 6.433 -5.617 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -6.154 6.889 -6.147 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -6.564 6.133 -4.589 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -5.462 5.307 -5.715 1.00 0.00 H new ATOM 743 N ALA B 14 -8.816 1.762 -3.375 1.00 0.00 N ATOM 744 CA ALA B 14 -9.200 0.443 -2.896 1.00 0.00 C ATOM 745 C ALA B 14 -10.602 0.451 -2.330 1.00 0.00 C ATOM 746 O ALA B 14 -11.412 -0.393 -2.726 1.00 0.00 O ATOM 747 CB ALA B 14 -8.266 -0.111 -1.808 1.00 0.00 C ATOM 0 H ALA B 14 -7.907 2.047 -3.011 1.00 0.00 H new ATOM 0 HA ALA B 14 -9.135 -0.200 -3.774 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -8.613 -1.097 -1.498 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -7.253 -0.190 -2.204 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -8.269 0.561 -0.950 1.00 0.00 H new ATOM 753 N ILE B 15 -10.916 1.442 -1.424 1.00 0.00 N ATOM 754 CA ILE B 15 -12.222 1.621 -0.832 1.00 0.00 C ATOM 755 C ILE B 15 -13.236 1.835 -1.958 1.00 0.00 C ATOM 756 O ILE B 15 -14.172 1.043 -2.076 1.00 0.00 O ATOM 757 CB ILE B 15 -12.473 2.685 0.269 1.00 0.00 C ATOM 758 CG1 ILE B 15 -11.376 2.872 1.361 1.00 0.00 C ATOM 759 CG2 ILE B 15 -13.816 2.294 0.935 1.00 0.00 C ATOM 760 CD1 ILE B 15 -10.923 4.320 1.443 1.00 0.00 C ATOM 0 H ILE B 15 -10.234 2.129 -1.104 1.00 0.00 H new ATOM 0 HA ILE B 15 -12.326 0.699 -0.260 1.00 0.00 H new ATOM 0 HB ILE B 15 -12.471 3.654 -0.229 1.00 0.00 H new ATOM 0 HG12 ILE B 15 -11.765 2.555 2.329 1.00 0.00 H new ATOM 0 HG13 ILE B 15 -10.522 2.233 1.135 1.00 0.00 H new ATOM 0 HG21 ILE B 15 -14.052 3.008 1.724 1.00 0.00 H new ATOM 0 HG22 ILE B 15 -14.609 2.304 0.188 1.00 0.00 H new ATOM 0 HG23 ILE B 15 -13.733 1.295 1.363 1.00 0.00 H new ATOM 0 HD11 ILE B 15 -10.158 4.419 2.213 1.00 0.00 H new ATOM 0 HD12 ILE B 15 -10.512 4.628 0.482 1.00 0.00 H new ATOM 0 HD13 ILE B 15 -11.774 4.954 1.693 1.00 0.00 H new ATOM 772 N GLU B 16 -13.042 2.920 -2.777 1.00 0.00 N ATOM 773 CA GLU B 16 -13.888 3.349 -3.877 1.00 0.00 C ATOM 774 C GLU B 16 -14.278 2.226 -4.867 1.00 0.00 C ATOM 775 O GLU B 16 -15.415 2.230 -5.346 1.00 0.00 O ATOM 776 CB GLU B 16 -13.308 4.579 -4.662 1.00 0.00 C ATOM 777 CG GLU B 16 -13.363 5.928 -3.898 1.00 0.00 C ATOM 778 CD GLU B 16 -12.633 7.027 -4.677 1.00 0.00 C ATOM 779 OE1 GLU B 16 -13.159 7.468 -5.735 1.00 0.00 O ATOM 780 OE2 GLU B 16 -11.538 7.449 -4.215 1.00 0.00 O ATOM 0 H GLU B 16 -12.237 3.535 -2.656 1.00 0.00 H new ATOM 0 HA GLU B 16 -14.804 3.661 -3.376 1.00 0.00 H new ATOM 0 HB2 GLU B 16 -12.271 4.368 -4.923 1.00 0.00 H new ATOM 0 HB3 GLU B 16 -13.857 4.686 -5.598 1.00 0.00 H new ATOM 0 HG2 GLU B 16 -14.401 6.218 -3.738 1.00 0.00 H new ATOM 0 HG3 GLU B 16 -12.910 5.812 -2.914 1.00 0.00 H new ATOM 787 N ARG B 17 -13.364 1.244 -5.174 1.00 0.00 N ATOM 788 CA ARG B 17 -13.586 0.084 -6.042 1.00 0.00 C ATOM 789 C ARG B 17 -14.705 -0.805 -5.481 1.00 0.00 C ATOM 790 O ARG B 17 -15.710 -1.024 -6.162 1.00 0.00 O ATOM 791 CB ARG B 17 -12.329 -0.812 -6.321 1.00 0.00 C ATOM 792 CG ARG B 17 -11.138 -0.163 -7.071 1.00 0.00 C ATOM 793 CD ARG B 17 -10.048 -1.137 -7.589 1.00 0.00 C ATOM 794 NE ARG B 17 -9.491 -2.008 -6.478 1.00 0.00 N ATOM 795 CZ ARG B 17 -8.316 -1.822 -5.793 1.00 0.00 C ATOM 796 NH1 ARG B 17 -7.473 -0.774 -6.031 1.00 0.00 N ATOM 797 NH2 ARG B 17 -7.989 -2.726 -4.819 1.00 0.00 N ATOM 0 H ARG B 17 -12.417 1.262 -4.794 1.00 0.00 H new ATOM 0 HA ARG B 17 -13.861 0.525 -7.000 1.00 0.00 H new ATOM 0 HB2 ARG B 17 -11.962 -1.183 -5.364 1.00 0.00 H new ATOM 0 HB3 ARG B 17 -12.655 -1.679 -6.895 1.00 0.00 H new ATOM 0 HG2 ARG B 17 -11.531 0.396 -7.920 1.00 0.00 H new ATOM 0 HG3 ARG B 17 -10.665 0.559 -6.405 1.00 0.00 H new ATOM 0 HD2 ARG B 17 -10.469 -1.770 -8.370 1.00 0.00 H new ATOM 0 HD3 ARG B 17 -9.238 -0.566 -8.043 1.00 0.00 H new ATOM 0 HE ARG B 17 -10.050 -2.819 -6.212 1.00 0.00 H new ATOM 0 HH11 ARG B 17 -7.706 -0.085 -6.746 1.00 0.00 H new ATOM 0 HH12 ARG B 17 -6.611 -0.681 -5.494 1.00 0.00 H new ATOM 0 HH21 ARG B 17 -8.611 -3.509 -4.621 1.00 0.00 H new ATOM 0 HH22 ARG B 17 -7.123 -2.616 -4.292 1.00 0.00 H new ATOM 811 N ASP B 18 -14.531 -1.306 -4.221 1.00 0.00 N ATOM 812 CA ASP B 18 -15.430 -2.156 -3.439 1.00 0.00 C ATOM 813 C ASP B 18 -16.822 -1.534 -3.279 1.00 0.00 C ATOM 814 O ASP B 18 -17.823 -2.165 -3.627 1.00 0.00 O ATOM 815 CB ASP B 18 -14.841 -2.544 -2.038 1.00 0.00 C ATOM 816 CG ASP B 18 -13.664 -3.526 -2.149 1.00 0.00 C ATOM 817 OD1 ASP B 18 -12.570 -3.113 -2.619 1.00 0.00 O ATOM 818 OD2 ASP B 18 -13.845 -4.706 -1.746 1.00 0.00 O ATOM 0 H ASP B 18 -13.680 -1.097 -3.699 1.00 0.00 H new ATOM 0 HA ASP B 18 -15.532 -3.076 -4.015 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -14.511 -1.642 -1.523 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -15.626 -2.990 -1.428 1.00 0.00 H new ATOM 823 N THR B 19 -16.874 -0.272 -2.775 1.00 0.00 N ATOM 824 CA THR B 19 -18.021 0.606 -2.538 1.00 0.00 C ATOM 825 C THR B 19 -18.848 0.765 -3.839 1.00 0.00 C ATOM 826 O THR B 19 -18.299 1.233 -4.873 1.00 0.00 O ATOM 827 CB THR B 19 -17.619 2.000 -2.011 1.00 0.00 C ATOM 828 OG1 THR B 19 -16.510 2.494 -2.692 1.00 0.00 O ATOM 829 CG2 THR B 19 -17.303 2.011 -0.504 1.00 0.00 C ATOM 830 OXT THR B 19 -20.055 0.402 -3.800 1.00 0.00 O ATOM 0 H THR B 19 -16.010 0.194 -2.499 1.00 0.00 H new ATOM 0 HA THR B 19 -18.621 0.129 -1.763 1.00 0.00 H new ATOM 0 HB THR B 19 -18.488 2.634 -2.185 1.00 0.00 H new ATOM 0 HG1 THR B 19 -15.698 2.066 -2.348 1.00 0.00 H new ATOM 0 HG21 THR B 19 -17.028 3.020 -0.197 1.00 0.00 H new ATOM 0 HG22 THR B 19 -18.182 1.689 0.054 1.00 0.00 H new ATOM 0 HG23 THR B 19 -16.475 1.331 -0.301 1.00 0.00 H new TER 838 THR B 19