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 : amide:sc= -0.555 X(o=0.38,f=0.54) USER MOD Set 1.2: B 4 THR OG1 : rot -1:sc= 0.934 USER MOD Set 2.1: A 11 C O2' : rot 77:sc= 0.552 USER MOD Set 2.2: B 7 HIS :FLIP no HE2:sc= -0.96 F(o=-3.6!,f=-0.41) USER MOD Single : A 4 G O2' : rot 180:sc= -0.0138 USER MOD Single : A 4 G O5' : rot 180:sc= 0 USER MOD Single : A 5 C O2' : rot -17:sc= 0.0108 USER MOD Single : A 6 G O2' : rot -17:sc= 0.0605 USER MOD Single : A 7 C O2' : rot -118:sc= 0.765 USER MOD Single : A 8 U O2' : rot -15:sc= 0.116 USER MOD Single : A 9 G O2' : rot -171:sc= 0.234 USER MOD Single : A 10 A O2' : rot -61:sc= -0.258 USER MOD Single : A 12 A O2' : rot -18:sc= 0.0166 USER MOD Single : A 13 A O2' : rot -30:sc= 0.0135 USER MOD Single : A 14 A O2' : rot 180:sc= 0 USER MOD Single : A 15 G O2' : rot -13:sc= 0.0424 USER MOD Single : A 16 C O2' : rot -19:sc= 0.0111 USER MOD Single : A 17 G O2' : rot -20:sc= 0.0416 USER MOD Single : A 18 C O2' : rot -12:sc= 0.0441 USER MOD Single : A 18 C O3' : rot 180:sc= 0.0577 USER MOD Single : B 1 ASN N :NH3+ 134:sc= 0.0248 (180deg=-0.156) USER MOD Single : B 3 LYS NZ :NH3+ 146:sc= 0.0526 (180deg=0) USER MOD Single : B 12 LYS NZ :NH3+ -149:sc= 0.0951 (180deg=0.00395) USER MOD Single : B 19 THR OG1 : rot 33:sc= -0.861 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 4 10.308 2.760 6.598 1.00 0.00 O ATOM 2 C5' G A 4 10.407 4.062 7.166 1.00 0.00 C ATOM 3 C4' G A 4 11.228 5.060 6.322 1.00 0.00 C ATOM 4 O4' G A 4 12.580 4.526 6.083 1.00 0.00 O ATOM 5 C3' G A 4 10.659 5.340 4.922 1.00 0.00 C ATOM 6 O3' G A 4 9.570 6.265 4.888 1.00 0.00 O ATOM 7 C2' G A 4 11.920 5.599 4.082 1.00 0.00 C ATOM 8 O2' G A 4 12.377 6.944 3.998 1.00 0.00 O ATOM 9 C1' G A 4 12.978 4.726 4.716 1.00 0.00 C ATOM 10 N9 G A 4 13.169 3.459 3.957 1.00 0.00 N ATOM 11 C8 G A 4 12.838 2.212 4.327 1.00 0.00 C ATOM 12 N7 G A 4 13.127 1.275 3.458 1.00 0.00 N ATOM 13 C5 G A 4 13.695 1.953 2.412 1.00 0.00 C ATOM 14 C6 G A 4 14.186 1.443 1.203 1.00 0.00 C ATOM 15 O6 G A 4 14.197 0.248 0.889 1.00 0.00 O ATOM 16 N1 G A 4 14.694 2.481 0.367 1.00 0.00 N ATOM 17 C2 G A 4 14.722 3.853 0.674 1.00 0.00 C ATOM 18 N2 G A 4 15.261 4.604 -0.328 1.00 0.00 N ATOM 19 N3 G A 4 14.235 4.303 1.863 1.00 0.00 N ATOM 20 C4 G A 4 13.742 3.323 2.675 1.00 0.00 C ATOM 0 H5' G A 4 10.859 3.981 8.155 1.00 0.00 H new ATOM 0 H5'' G A 4 9.403 4.462 7.306 1.00 0.00 H new ATOM 0 H4' G A 4 11.211 5.979 6.907 1.00 0.00 H new ATOM 0 H3' G A 4 10.101 4.515 4.479 1.00 0.00 H new ATOM 0 H2' G A 4 11.689 5.371 3.041 1.00 0.00 H new ATOM 0 HO2' G A 4 13.182 6.982 3.441 1.00 0.00 H new ATOM 0 HO5' G A 4 9.777 2.185 7.188 1.00 0.00 H new ATOM 0 H1' G A 4 13.958 5.202 4.691 1.00 0.00 H new ATOM 0 H8 G A 4 12.367 1.996 5.274 1.00 0.00 H new ATOM 0 H1 G A 4 15.072 2.202 -0.538 1.00 0.00 H new ATOM 0 H21 G A 4 15.336 5.616 -0.223 1.00 0.00 H new ATOM 0 H22 G A 4 15.589 4.154 -1.183 1.00 0.00 H new ATOM 33 P C A 5 9.299 7.660 4.191 1.00 0.00 P ATOM 34 OP1 C A 5 10.206 8.665 4.797 1.00 0.00 O ATOM 35 OP2 C A 5 7.850 7.958 4.263 1.00 0.00 O ATOM 36 O5' C A 5 9.683 7.383 2.663 1.00 0.00 O ATOM 37 C5' C A 5 10.163 8.446 1.844 1.00 0.00 C ATOM 38 C4' C A 5 10.432 8.050 0.367 1.00 0.00 C ATOM 39 O4' C A 5 11.579 7.149 0.196 1.00 0.00 O ATOM 40 C3' C A 5 9.286 7.375 -0.387 1.00 0.00 C ATOM 41 O3' C A 5 8.273 8.310 -0.771 1.00 0.00 O ATOM 42 C2' C A 5 10.019 6.694 -1.556 1.00 0.00 C ATOM 43 O2' C A 5 10.314 7.573 -2.642 1.00 0.00 O ATOM 44 C1' C A 5 11.318 6.212 -0.882 1.00 0.00 C ATOM 45 N1 C A 5 11.252 4.804 -0.367 1.00 0.00 N ATOM 46 C2 C A 5 11.565 3.710 -1.249 1.00 0.00 C ATOM 47 O2 C A 5 11.886 3.883 -2.438 1.00 0.00 O ATOM 48 N3 C A 5 11.496 2.434 -0.739 1.00 0.00 N ATOM 49 C4 C A 5 11.149 2.186 0.550 1.00 0.00 C ATOM 50 N4 C A 5 11.076 0.905 1.011 1.00 0.00 N ATOM 51 C5 C A 5 10.841 3.291 1.431 1.00 0.00 C ATOM 52 C6 C A 5 10.902 4.534 0.934 1.00 0.00 C ATOM 0 H5' C A 5 11.085 8.833 2.277 1.00 0.00 H new ATOM 0 H5'' C A 5 9.437 9.258 1.863 1.00 0.00 H new ATOM 0 H4' C A 5 10.607 9.039 -0.056 1.00 0.00 H new ATOM 0 H3' C A 5 8.716 6.657 0.202 1.00 0.00 H new ATOM 0 H2' C A 5 9.416 5.910 -2.015 1.00 0.00 H new ATOM 0 HO2' C A 5 9.768 8.383 -2.565 1.00 0.00 H new ATOM 0 H1' C A 5 12.121 6.189 -1.618 1.00 0.00 H new ATOM 0 H41 C A 5 10.815 0.726 1.981 1.00 0.00 H new ATOM 0 H42 C A 5 11.283 0.126 0.386 1.00 0.00 H new ATOM 0 H5 C A 5 10.569 3.119 2.462 1.00 0.00 H new ATOM 0 H6 C A 5 10.665 5.362 1.586 1.00 0.00 H new ATOM 64 P G A 6 6.811 7.846 -1.193 1.00 0.00 P ATOM 65 OP1 G A 6 5.925 9.031 -1.188 1.00 0.00 O ATOM 66 OP2 G A 6 6.389 6.691 -0.364 1.00 0.00 O ATOM 67 O5' G A 6 7.055 7.408 -2.698 1.00 0.00 O ATOM 68 C5' G A 6 6.383 6.308 -3.290 1.00 0.00 C ATOM 69 C4' G A 6 7.168 5.805 -4.517 1.00 0.00 C ATOM 70 O4' G A 6 8.445 5.210 -4.114 1.00 0.00 O ATOM 71 C3' G A 6 6.447 4.692 -5.275 1.00 0.00 C ATOM 72 O3' G A 6 5.627 5.230 -6.319 1.00 0.00 O ATOM 73 C2' G A 6 7.571 3.788 -5.802 1.00 0.00 C ATOM 74 O2' G A 6 8.144 4.240 -7.031 1.00 0.00 O ATOM 75 C1' G A 6 8.603 3.901 -4.677 1.00 0.00 C ATOM 76 N9 G A 6 8.641 2.854 -3.615 1.00 0.00 N ATOM 77 C8 G A 6 8.395 2.985 -2.285 1.00 0.00 C ATOM 78 N7 G A 6 8.553 1.897 -1.580 1.00 0.00 N ATOM 79 C5 G A 6 8.933 0.958 -2.494 1.00 0.00 C ATOM 80 C6 G A 6 9.235 -0.385 -2.273 1.00 0.00 C ATOM 81 O6 G A 6 9.211 -0.941 -1.170 1.00 0.00 O ATOM 82 N1 G A 6 9.586 -1.045 -3.484 1.00 0.00 N ATOM 83 C2 G A 6 9.639 -0.461 -4.764 1.00 0.00 C ATOM 84 N2 G A 6 9.996 -1.343 -5.738 1.00 0.00 N ATOM 85 N3 G A 6 9.340 0.856 -4.931 1.00 0.00 N ATOM 86 C4 G A 6 8.999 1.504 -3.780 1.00 0.00 C ATOM 0 H5' G A 6 5.377 6.604 -3.589 1.00 0.00 H new ATOM 0 H5'' G A 6 6.276 5.503 -2.563 1.00 0.00 H new ATOM 0 H4' G A 6 7.288 6.688 -5.145 1.00 0.00 H new ATOM 0 H3' G A 6 5.757 4.129 -4.646 1.00 0.00 H new ATOM 0 H2' G A 6 7.218 2.781 -6.026 1.00 0.00 H new ATOM 0 HO2' G A 6 7.544 4.891 -7.452 1.00 0.00 H new ATOM 0 H1' G A 6 9.570 3.726 -5.148 1.00 0.00 H new ATOM 0 H8 G A 6 8.091 3.922 -1.843 1.00 0.00 H new ATOM 0 H1 G A 6 9.822 -2.035 -3.418 1.00 0.00 H new ATOM 0 H21 G A 6 10.067 -1.032 -6.707 1.00 0.00 H new ATOM 0 H22 G A 6 10.192 -2.315 -5.499 1.00 0.00 H new ATOM 98 P C A 7 4.235 4.568 -6.690 1.00 0.00 P ATOM 99 OP1 C A 7 3.692 5.237 -7.896 1.00 0.00 O ATOM 100 OP2 C A 7 3.366 4.544 -5.490 1.00 0.00 O ATOM 101 O5' C A 7 4.651 3.087 -7.028 1.00 0.00 O ATOM 102 C5' C A 7 5.196 2.630 -8.258 1.00 0.00 C ATOM 103 C4' C A 7 5.307 1.081 -8.293 1.00 0.00 C ATOM 104 O4' C A 7 6.403 0.578 -7.456 1.00 0.00 O ATOM 105 C3' C A 7 4.056 0.389 -7.751 1.00 0.00 C ATOM 106 O3' C A 7 3.073 0.308 -8.785 1.00 0.00 O ATOM 107 C2' C A 7 4.562 -0.928 -7.182 1.00 0.00 C ATOM 108 O2' C A 7 4.465 -2.027 -8.081 1.00 0.00 O ATOM 109 C1' C A 7 6.030 -0.674 -6.832 1.00 0.00 C ATOM 110 N1 C A 7 6.161 -0.642 -5.354 1.00 0.00 N ATOM 111 C2 C A 7 6.419 -1.864 -4.624 1.00 0.00 C ATOM 112 O2 C A 7 6.616 -2.954 -5.193 1.00 0.00 O ATOM 113 N3 C A 7 6.441 -1.802 -3.247 1.00 0.00 N ATOM 114 C4 C A 7 6.228 -0.631 -2.587 1.00 0.00 C ATOM 115 N4 C A 7 6.231 -0.596 -1.222 1.00 0.00 N ATOM 116 C5 C A 7 5.979 0.575 -3.353 1.00 0.00 C ATOM 117 C6 C A 7 5.960 0.521 -4.666 1.00 0.00 C ATOM 0 H5' C A 7 6.182 3.070 -8.405 1.00 0.00 H new ATOM 0 H5'' C A 7 4.569 2.969 -9.083 1.00 0.00 H new ATOM 0 H4' C A 7 5.466 0.856 -9.348 1.00 0.00 H new ATOM 0 H3' C A 7 3.533 0.920 -6.956 1.00 0.00 H new ATOM 0 H2' C A 7 3.948 -1.213 -6.328 1.00 0.00 H new ATOM 0 HO2' C A 7 3.867 -2.706 -7.704 1.00 0.00 H new ATOM 0 H1' C A 7 6.696 -1.456 -7.197 1.00 0.00 H new ATOM 0 H41 C A 7 6.071 0.285 -0.734 1.00 0.00 H new ATOM 0 H42 C A 7 6.394 -1.451 -0.690 1.00 0.00 H new ATOM 0 H5 C A 7 5.810 1.514 -2.846 1.00 0.00 H new ATOM 0 H6 C A 7 5.779 1.429 -5.221 1.00 0.00 H new ATOM 129 P U A 8 1.559 -0.113 -8.648 1.00 0.00 P ATOM 130 OP1 U A 8 0.854 0.285 -9.886 1.00 0.00 O ATOM 131 OP2 U A 8 1.021 0.416 -7.376 1.00 0.00 O ATOM 132 O5' U A 8 1.671 -1.703 -8.633 1.00 0.00 O ATOM 133 C5' U A 8 1.020 -2.485 -7.651 1.00 0.00 C ATOM 134 C4' U A 8 1.437 -3.974 -7.713 1.00 0.00 C ATOM 135 O4' U A 8 2.791 -4.216 -7.211 1.00 0.00 O ATOM 136 C3' U A 8 0.528 -4.822 -6.837 1.00 0.00 C ATOM 137 O3' U A 8 -0.491 -5.407 -7.646 1.00 0.00 O ATOM 138 C2' U A 8 1.433 -5.884 -6.203 1.00 0.00 C ATOM 139 O2' U A 8 1.545 -7.102 -6.945 1.00 0.00 O ATOM 140 C1' U A 8 2.794 -5.184 -6.143 1.00 0.00 C ATOM 141 N1 U A 8 3.145 -4.575 -4.811 1.00 0.00 N ATOM 142 C2 U A 8 3.412 -5.452 -3.696 1.00 0.00 C ATOM 143 O2 U A 8 3.382 -6.689 -3.738 1.00 0.00 O ATOM 144 N3 U A 8 3.731 -4.783 -2.487 1.00 0.00 N ATOM 145 C4 U A 8 3.805 -3.377 -2.296 1.00 0.00 C ATOM 146 O4 U A 8 4.091 -2.888 -1.200 1.00 0.00 O ATOM 147 C5 U A 8 3.520 -2.591 -3.481 1.00 0.00 C ATOM 148 C6 U A 8 3.214 -3.198 -4.644 1.00 0.00 C ATOM 0 H5' U A 8 -0.059 -2.407 -7.784 1.00 0.00 H new ATOM 0 H5'' U A 8 1.249 -2.087 -6.662 1.00 0.00 H new ATOM 0 H4' U A 8 1.374 -4.237 -8.769 1.00 0.00 H new ATOM 0 H3' U A 8 0.025 -4.243 -6.063 1.00 0.00 H new ATOM 0 H2' U A 8 1.028 -6.205 -5.243 1.00 0.00 H new ATOM 0 HO2' U A 8 0.837 -7.139 -7.621 1.00 0.00 H new ATOM 0 H1' U A 8 3.583 -5.926 -6.268 1.00 0.00 H new ATOM 0 H3 U A 8 3.926 -5.369 -1.675 1.00 0.00 H new ATOM 0 H5 U A 8 3.553 -1.513 -3.431 1.00 0.00 H new ATOM 0 H6 U A 8 3.009 -2.574 -5.501 1.00 0.00 H new ATOM 159 P G A 9 -2.017 -5.551 -7.306 1.00 0.00 P ATOM 160 OP1 G A 9 -2.614 -6.522 -8.255 1.00 0.00 O ATOM 161 OP2 G A 9 -2.633 -4.207 -7.279 1.00 0.00 O ATOM 162 O5' G A 9 -1.996 -6.160 -5.840 1.00 0.00 O ATOM 163 C5' G A 9 -1.821 -7.556 -5.596 1.00 0.00 C ATOM 164 C4' G A 9 -1.815 -7.913 -4.087 1.00 0.00 C ATOM 165 O4' G A 9 -0.548 -7.542 -3.446 1.00 0.00 O ATOM 166 C3' G A 9 -2.900 -7.211 -3.259 1.00 0.00 C ATOM 167 O3' G A 9 -4.144 -7.905 -3.341 1.00 0.00 O ATOM 168 C2' G A 9 -2.291 -7.152 -1.850 1.00 0.00 C ATOM 169 O2' G A 9 -2.550 -8.322 -1.071 1.00 0.00 O ATOM 170 C1' G A 9 -0.776 -7.002 -2.131 1.00 0.00 C ATOM 171 N9 G A 9 -0.236 -5.599 -2.075 1.00 0.00 N ATOM 172 C8 G A 9 -0.053 -4.707 -3.094 1.00 0.00 C ATOM 173 N7 G A 9 0.412 -3.538 -2.738 1.00 0.00 N ATOM 174 C5 G A 9 0.564 -3.633 -1.389 1.00 0.00 C ATOM 175 C6 G A 9 1.034 -2.655 -0.509 1.00 0.00 C ATOM 176 O6 G A 9 1.387 -1.522 -0.837 1.00 0.00 O ATOM 177 N1 G A 9 1.052 -3.125 0.825 1.00 0.00 N ATOM 178 C2 G A 9 0.657 -4.403 1.249 1.00 0.00 C ATOM 179 N2 G A 9 0.808 -4.568 2.583 1.00 0.00 N ATOM 180 N3 G A 9 0.201 -5.330 0.364 1.00 0.00 N ATOM 181 C4 G A 9 0.177 -4.895 -0.924 1.00 0.00 C ATOM 0 H5' G A 9 -0.883 -7.882 -6.044 1.00 0.00 H new ATOM 0 H5'' G A 9 -2.620 -8.108 -6.091 1.00 0.00 H new ATOM 0 H4' G A 9 -1.990 -8.989 -4.091 1.00 0.00 H new ATOM 0 H3' G A 9 -3.155 -6.212 -3.612 1.00 0.00 H new ATOM 0 H2' G A 9 -2.718 -6.342 -1.260 1.00 0.00 H new ATOM 0 HO2' G A 9 -2.266 -8.168 -0.146 1.00 0.00 H new ATOM 0 H1' G A 9 -0.248 -7.529 -1.336 1.00 0.00 H new ATOM 0 H8 G A 9 -0.277 -4.951 -4.122 1.00 0.00 H new ATOM 0 H1 G A 9 1.381 -2.478 1.542 1.00 0.00 H new ATOM 0 H21 G A 9 0.556 -5.455 3.019 1.00 0.00 H new ATOM 0 H22 G A 9 1.174 -3.805 3.153 1.00 0.00 H new ATOM 193 P A A 10 -5.419 -7.428 -4.174 1.00 0.00 P ATOM 194 OP1 A A 10 -6.130 -8.634 -4.660 1.00 0.00 O ATOM 195 OP2 A A 10 -5.025 -6.436 -5.203 1.00 0.00 O ATOM 196 O5' A A 10 -6.332 -6.681 -3.107 1.00 0.00 O ATOM 197 C5' A A 10 -6.784 -7.345 -1.926 1.00 0.00 C ATOM 198 C4' A A 10 -6.672 -6.443 -0.676 1.00 0.00 C ATOM 199 O4' A A 10 -6.757 -7.281 0.508 1.00 0.00 O ATOM 200 C3' A A 10 -5.348 -5.671 -0.545 1.00 0.00 C ATOM 201 O3' A A 10 -5.555 -4.281 -0.802 1.00 0.00 O ATOM 202 C2' A A 10 -4.780 -6.009 0.845 1.00 0.00 C ATOM 203 O2' A A 10 -4.431 -4.877 1.634 1.00 0.00 O ATOM 204 C1' A A 10 -5.880 -6.822 1.533 1.00 0.00 C ATOM 205 N9 A A 10 -5.379 -8.053 2.195 1.00 0.00 N ATOM 206 C8 A A 10 -4.706 -9.118 1.663 1.00 0.00 C ATOM 207 N7 A A 10 -4.429 -10.067 2.528 1.00 0.00 N ATOM 208 C5 A A 10 -4.946 -9.606 3.713 1.00 0.00 C ATOM 209 C6 A A 10 -4.955 -10.193 4.997 1.00 0.00 C ATOM 210 N6 A A 10 -4.384 -11.423 5.187 1.00 0.00 N ATOM 211 N1 A A 10 -5.571 -9.439 5.973 1.00 0.00 N ATOM 212 C2 A A 10 -6.101 -8.250 5.657 1.00 0.00 C ATOM 213 N3 A A 10 -6.142 -7.625 4.497 1.00 0.00 N ATOM 214 C4 A A 10 -5.539 -8.364 3.543 1.00 0.00 C ATOM 0 H5' A A 10 -6.198 -8.251 -1.773 1.00 0.00 H new ATOM 0 H5'' A A 10 -7.821 -7.654 -2.058 1.00 0.00 H new ATOM 0 H4' A A 10 -7.478 -5.716 -0.777 1.00 0.00 H new ATOM 0 H3' A A 10 -4.606 -5.964 -1.288 1.00 0.00 H new ATOM 0 H2' A A 10 -3.840 -6.549 0.733 1.00 0.00 H new ATOM 0 HO2' A A 10 -3.733 -4.362 1.177 1.00 0.00 H new ATOM 0 H1' A A 10 -6.337 -6.178 2.284 1.00 0.00 H new ATOM 0 H8 A A 10 -4.426 -9.174 0.621 1.00 0.00 H new ATOM 0 H61 A A 10 -4.389 -11.850 6.113 1.00 0.00 H new ATOM 0 H62 A A 10 -3.954 -11.912 4.402 1.00 0.00 H new ATOM 0 H2 A A 10 -6.565 -7.723 6.477 1.00 0.00 H new ATOM 226 P C A 11 -4.865 -3.519 -2.026 1.00 0.00 P ATOM 227 OP1 C A 11 -5.800 -3.493 -3.173 1.00 0.00 O ATOM 228 OP2 C A 11 -3.515 -4.066 -2.283 1.00 0.00 O ATOM 229 O5' C A 11 -4.660 -2.049 -1.471 1.00 0.00 O ATOM 230 C5' C A 11 -5.746 -1.257 -1.002 1.00 0.00 C ATOM 231 C4' C A 11 -5.442 -0.598 0.360 1.00 0.00 C ATOM 232 O4' C A 11 -6.665 -0.029 0.903 1.00 0.00 O ATOM 233 C3' C A 11 -4.988 -1.579 1.441 1.00 0.00 C ATOM 234 O3' C A 11 -3.650 -1.269 1.800 1.00 0.00 O ATOM 235 C2' C A 11 -5.990 -1.455 2.594 1.00 0.00 C ATOM 236 O2' C A 11 -5.445 -1.599 3.902 1.00 0.00 O ATOM 237 C1' C A 11 -6.662 -0.110 2.333 1.00 0.00 C ATOM 238 N1 C A 11 -8.061 -0.105 2.886 1.00 0.00 N ATOM 239 C2 C A 11 -8.305 0.297 4.259 1.00 0.00 C ATOM 240 O2 C A 11 -7.386 0.659 5.020 1.00 0.00 O ATOM 241 N3 C A 11 -9.610 0.263 4.721 1.00 0.00 N ATOM 242 C4 C A 11 -10.642 -0.134 3.926 1.00 0.00 C ATOM 243 N4 C A 11 -11.928 -0.179 4.380 1.00 0.00 N ATOM 244 C5 C A 11 -10.381 -0.528 2.560 1.00 0.00 C ATOM 245 C6 C A 11 -9.133 -0.500 2.109 1.00 0.00 C ATOM 0 H5' C A 11 -6.635 -1.880 -0.911 1.00 0.00 H new ATOM 0 H5'' C A 11 -5.972 -0.483 -1.736 1.00 0.00 H new ATOM 0 H4' C A 11 -4.653 0.124 0.149 1.00 0.00 H new ATOM 0 H3' C A 11 -4.979 -2.618 1.112 1.00 0.00 H new ATOM 0 H2' C A 11 -6.697 -2.285 2.600 1.00 0.00 H new ATOM 0 HO2' C A 11 -4.986 -0.772 4.158 1.00 0.00 H new ATOM 0 H1' C A 11 -6.157 0.733 2.805 1.00 0.00 H new ATOM 0 H41 C A 11 -12.678 -0.481 3.758 1.00 0.00 H new ATOM 0 H42 C A 11 -12.139 0.090 5.341 1.00 0.00 H new ATOM 0 H5 C A 11 -11.190 -0.841 1.916 1.00 0.00 H new ATOM 0 H6 C A 11 -8.947 -0.800 1.088 1.00 0.00 H new ATOM 257 P A A 12 -2.297 -2.028 1.535 1.00 0.00 P ATOM 258 OP1 A A 12 -1.195 -1.040 1.622 1.00 0.00 O ATOM 259 OP2 A A 12 -2.383 -2.810 0.282 1.00 0.00 O ATOM 260 O5' A A 12 -2.187 -3.044 2.749 1.00 0.00 O ATOM 261 C5' A A 12 -2.141 -2.583 4.098 1.00 0.00 C ATOM 262 C4' A A 12 -2.300 -3.720 5.140 1.00 0.00 C ATOM 263 O4' A A 12 -3.054 -4.866 4.608 1.00 0.00 O ATOM 264 C3' A A 12 -0.984 -4.340 5.605 1.00 0.00 C ATOM 265 O3' A A 12 -0.290 -3.533 6.562 1.00 0.00 O ATOM 266 C2' A A 12 -1.424 -5.699 6.150 1.00 0.00 C ATOM 267 O2' A A 12 -1.926 -5.654 7.486 1.00 0.00 O ATOM 268 C1' A A 12 -2.532 -6.092 5.152 1.00 0.00 C ATOM 269 N9 A A 12 -2.119 -7.061 4.076 1.00 0.00 N ATOM 270 C8 A A 12 -2.006 -6.893 2.716 1.00 0.00 C ATOM 271 N7 A A 12 -1.659 -7.967 2.056 1.00 0.00 N ATOM 272 C5 A A 12 -1.522 -8.930 3.015 1.00 0.00 C ATOM 273 C6 A A 12 -1.165 -10.286 2.879 1.00 0.00 C ATOM 274 N6 A A 12 -0.932 -10.796 1.629 1.00 0.00 N ATOM 275 N1 A A 12 -1.111 -10.992 4.055 1.00 0.00 N ATOM 276 C2 A A 12 -1.389 -10.383 5.213 1.00 0.00 C ATOM 277 N3 A A 12 -1.738 -9.117 5.443 1.00 0.00 N ATOM 278 C4 A A 12 -1.790 -8.420 4.279 1.00 0.00 C ATOM 0 H5' A A 12 -2.930 -1.847 4.250 1.00 0.00 H new ATOM 0 H5'' A A 12 -1.193 -2.073 4.268 1.00 0.00 H new ATOM 0 H4' A A 12 -2.808 -3.212 5.960 1.00 0.00 H new ATOM 0 H3' A A 12 -0.248 -4.430 4.806 1.00 0.00 H new ATOM 0 H2' A A 12 -0.596 -6.404 6.222 1.00 0.00 H new ATOM 0 HO2' A A 12 -1.636 -4.823 7.916 1.00 0.00 H new ATOM 0 H1' A A 12 -3.295 -6.653 5.691 1.00 0.00 H new ATOM 0 H8 A A 12 -2.190 -5.946 2.230 1.00 0.00 H new ATOM 0 H61 A A 12 -0.673 -11.776 1.518 1.00 0.00 H new ATOM 0 H62 A A 12 -1.018 -10.195 0.809 1.00 0.00 H new ATOM 0 H2 A A 12 -1.321 -11.009 6.091 1.00 0.00 H new ATOM 290 P A A 13 1.269 -3.222 6.438 1.00 0.00 P ATOM 291 OP1 A A 13 1.627 -2.208 7.459 1.00 0.00 O ATOM 292 OP2 A A 13 1.595 -2.883 5.034 1.00 0.00 O ATOM 293 O5' A A 13 1.959 -4.614 6.793 1.00 0.00 O ATOM 294 C5' A A 13 1.961 -5.116 8.130 1.00 0.00 C ATOM 295 C4' A A 13 2.223 -6.641 8.208 1.00 0.00 C ATOM 296 O4' A A 13 1.204 -7.399 7.465 1.00 0.00 O ATOM 297 C3' A A 13 3.542 -7.119 7.595 1.00 0.00 C ATOM 298 O3' A A 13 4.680 -6.948 8.442 1.00 0.00 O ATOM 299 C2' A A 13 3.244 -8.594 7.304 1.00 0.00 C ATOM 300 O2' A A 13 3.331 -9.450 8.446 1.00 0.00 O ATOM 301 C1' A A 13 1.806 -8.515 6.776 1.00 0.00 C ATOM 302 N9 A A 13 1.708 -8.370 5.283 1.00 0.00 N ATOM 303 C8 A A 13 1.376 -7.274 4.545 1.00 0.00 C ATOM 304 N7 A A 13 1.382 -7.453 3.252 1.00 0.00 N ATOM 305 C5 A A 13 1.740 -8.754 3.086 1.00 0.00 C ATOM 306 C6 A A 13 1.907 -9.489 1.898 1.00 0.00 C ATOM 307 N6 A A 13 1.690 -8.881 0.688 1.00 0.00 N ATOM 308 N1 A A 13 2.281 -10.798 2.081 1.00 0.00 N ATOM 309 C2 A A 13 2.456 -11.278 3.316 1.00 0.00 C ATOM 310 N3 A A 13 2.324 -10.664 4.495 1.00 0.00 N ATOM 311 C4 A A 13 1.955 -9.371 4.313 1.00 0.00 C ATOM 0 H5' A A 13 1.001 -4.894 8.596 1.00 0.00 H new ATOM 0 H5'' A A 13 2.724 -4.593 8.707 1.00 0.00 H new ATOM 0 H4' A A 13 2.223 -6.818 9.284 1.00 0.00 H new ATOM 0 H3' A A 13 3.826 -6.539 6.717 1.00 0.00 H new ATOM 0 H2' A A 13 3.969 -9.035 6.620 1.00 0.00 H new ATOM 0 HO2' A A 13 3.989 -9.089 9.076 1.00 0.00 H new ATOM 0 H1' A A 13 1.285 -9.452 6.972 1.00 0.00 H new ATOM 0 H8 A A 13 1.126 -6.326 4.997 1.00 0.00 H new ATOM 0 H61 A A 13 1.810 -9.409 -0.177 1.00 0.00 H new ATOM 0 H62 A A 13 1.409 -7.901 0.653 1.00 0.00 H new ATOM 0 H2 A A 13 2.747 -12.317 3.369 1.00 0.00 H new ATOM 323 P A A 14 6.070 -6.410 7.865 1.00 0.00 P ATOM 324 OP1 A A 14 7.065 -6.416 8.963 1.00 0.00 O ATOM 325 OP2 A A 14 5.839 -5.112 7.188 1.00 0.00 O ATOM 326 O5' A A 14 6.490 -7.477 6.759 1.00 0.00 O ATOM 327 C5' A A 14 6.887 -8.803 7.087 1.00 0.00 C ATOM 328 C4' A A 14 6.927 -9.772 5.873 1.00 0.00 C ATOM 329 O4' A A 14 5.602 -9.940 5.255 1.00 0.00 O ATOM 330 C3' A A 14 7.827 -9.340 4.715 1.00 0.00 C ATOM 331 O3' A A 14 9.199 -9.674 4.927 1.00 0.00 O ATOM 332 C2' A A 14 7.180 -10.054 3.517 1.00 0.00 C ATOM 333 O2' A A 14 7.528 -11.430 3.374 1.00 0.00 O ATOM 334 C1' A A 14 5.688 -9.881 3.817 1.00 0.00 C ATOM 335 N9 A A 14 5.151 -8.574 3.289 1.00 0.00 N ATOM 336 C8 A A 14 4.791 -7.469 3.997 1.00 0.00 C ATOM 337 N7 A A 14 4.395 -6.448 3.287 1.00 0.00 N ATOM 338 C5 A A 14 4.486 -6.886 1.996 1.00 0.00 C ATOM 339 C6 A A 14 4.187 -6.207 0.802 1.00 0.00 C ATOM 340 N6 A A 14 3.746 -4.918 0.869 1.00 0.00 N ATOM 341 N1 A A 14 4.384 -6.928 -0.346 1.00 0.00 N ATOM 342 C2 A A 14 4.832 -8.186 -0.271 1.00 0.00 C ATOM 343 N3 A A 14 5.144 -8.917 0.806 1.00 0.00 N ATOM 344 C4 A A 14 4.946 -8.196 1.940 1.00 0.00 C ATOM 0 H5' A A 14 6.201 -9.202 7.834 1.00 0.00 H new ATOM 0 H5'' A A 14 7.875 -8.772 7.546 1.00 0.00 H new ATOM 0 H4' A A 14 7.315 -10.683 6.329 1.00 0.00 H new ATOM 0 H3' A A 14 7.881 -8.260 4.576 1.00 0.00 H new ATOM 0 H2' A A 14 7.515 -9.634 2.569 1.00 0.00 H new ATOM 0 HO2' A A 14 7.072 -11.803 2.591 1.00 0.00 H new ATOM 0 H1' A A 14 5.086 -10.649 3.331 1.00 0.00 H new ATOM 0 H8 A A 14 4.830 -7.439 5.076 1.00 0.00 H new ATOM 0 H61 A A 14 3.524 -4.410 0.013 1.00 0.00 H new ATOM 0 H62 A A 14 3.638 -4.462 1.775 1.00 0.00 H new ATOM 0 H2 A A 14 4.961 -8.686 -1.220 1.00 0.00 H new ATOM 356 P G A 15 10.386 -8.776 4.345 1.00 0.00 P ATOM 357 OP1 G A 15 11.668 -9.296 4.877 1.00 0.00 O ATOM 358 OP2 G A 15 10.098 -7.345 4.602 1.00 0.00 O ATOM 359 O5' G A 15 10.326 -9.024 2.771 1.00 0.00 O ATOM 360 C5' G A 15 10.555 -10.330 2.247 1.00 0.00 C ATOM 361 C4' G A 15 10.030 -10.513 0.804 1.00 0.00 C ATOM 362 O4' G A 15 8.633 -10.118 0.624 1.00 0.00 O ATOM 363 C3' G A 15 10.804 -9.770 -0.278 1.00 0.00 C ATOM 364 O3' G A 15 11.962 -10.511 -0.662 1.00 0.00 O ATOM 365 C2' G A 15 9.763 -9.629 -1.392 1.00 0.00 C ATOM 366 O2' G A 15 9.659 -10.780 -2.234 1.00 0.00 O ATOM 367 C1' G A 15 8.473 -9.389 -0.603 1.00 0.00 C ATOM 368 N9 G A 15 8.116 -7.956 -0.315 1.00 0.00 N ATOM 369 C8 G A 15 8.067 -7.326 0.892 1.00 0.00 C ATOM 370 N7 G A 15 7.720 -6.061 0.846 1.00 0.00 N ATOM 371 C5 G A 15 7.517 -5.809 -0.485 1.00 0.00 C ATOM 372 C6 G A 15 7.129 -4.604 -1.101 1.00 0.00 C ATOM 373 O6 G A 15 6.902 -3.534 -0.523 1.00 0.00 O ATOM 374 N1 G A 15 7.027 -4.755 -2.512 1.00 0.00 N ATOM 375 C2 G A 15 7.272 -5.936 -3.240 1.00 0.00 C ATOM 376 N2 G A 15 7.097 -5.780 -4.581 1.00 0.00 N ATOM 377 N3 G A 15 7.646 -7.079 -2.602 1.00 0.00 N ATOM 378 C4 G A 15 7.752 -6.960 -1.250 1.00 0.00 C ATOM 0 H5' G A 15 10.076 -11.063 2.896 1.00 0.00 H new ATOM 0 H5'' G A 15 11.625 -10.539 2.266 1.00 0.00 H new ATOM 0 H4' G A 15 10.162 -11.588 0.681 1.00 0.00 H new ATOM 0 H3' G A 15 11.203 -8.802 0.025 1.00 0.00 H new ATOM 0 H2' G A 15 10.016 -8.834 -2.094 1.00 0.00 H new ATOM 0 HO2' G A 15 10.420 -11.375 -2.070 1.00 0.00 H new ATOM 0 H1' G A 15 7.639 -9.724 -1.220 1.00 0.00 H new ATOM 0 H8 G A 15 8.297 -7.831 1.819 1.00 0.00 H new ATOM 0 H1 G A 15 6.751 -3.931 -3.046 1.00 0.00 H new ATOM 0 H21 G A 15 7.247 -6.569 -5.210 1.00 0.00 H new ATOM 0 H22 G A 15 6.816 -4.874 -4.957 1.00 0.00 H new ATOM 390 P C A 16 13.385 -9.854 -0.910 1.00 0.00 P ATOM 391 OP1 C A 16 14.380 -10.939 -1.078 1.00 0.00 O ATOM 392 OP2 C A 16 13.664 -8.857 0.150 1.00 0.00 O ATOM 393 O5' C A 16 13.196 -9.086 -2.282 1.00 0.00 O ATOM 394 C5' C A 16 12.987 -9.771 -3.513 1.00 0.00 C ATOM 395 C4' C A 16 12.466 -8.835 -4.630 1.00 0.00 C ATOM 396 O4' C A 16 11.119 -8.317 -4.335 1.00 0.00 O ATOM 397 C3' C A 16 13.310 -7.575 -4.859 1.00 0.00 C ATOM 398 O3' C A 16 14.471 -7.851 -5.641 1.00 0.00 O ATOM 399 C2' C A 16 12.305 -6.633 -5.519 1.00 0.00 C ATOM 400 O2' C A 16 12.094 -6.884 -6.908 1.00 0.00 O ATOM 401 C1' C A 16 11.042 -6.913 -4.673 1.00 0.00 C ATOM 402 N1 C A 16 10.832 -6.036 -3.443 1.00 0.00 N ATOM 403 C2 C A 16 10.409 -4.666 -3.633 1.00 0.00 C ATOM 404 O2 C A 16 10.213 -4.173 -4.761 1.00 0.00 O ATOM 405 N3 C A 16 10.219 -3.882 -2.514 1.00 0.00 N ATOM 406 C4 C A 16 10.418 -4.351 -1.256 1.00 0.00 C ATOM 407 N4 C A 16 10.229 -3.568 -0.154 1.00 0.00 N ATOM 408 C5 C A 16 10.839 -5.711 -1.059 1.00 0.00 C ATOM 409 C6 C A 16 11.026 -6.488 -2.135 1.00 0.00 C ATOM 0 H5' C A 16 12.273 -10.580 -3.358 1.00 0.00 H new ATOM 0 H5'' C A 16 13.923 -10.229 -3.834 1.00 0.00 H new ATOM 0 H4' C A 16 12.497 -9.481 -5.508 1.00 0.00 H new ATOM 0 H3' C A 16 13.739 -7.142 -3.955 1.00 0.00 H new ATOM 0 H2' C A 16 12.633 -5.593 -5.526 1.00 0.00 H new ATOM 0 HO2' C A 16 12.844 -7.405 -7.264 1.00 0.00 H new ATOM 0 H1' C A 16 10.163 -6.655 -5.264 1.00 0.00 H new ATOM 0 H41 C A 16 10.387 -3.952 0.778 1.00 0.00 H new ATOM 0 H42 C A 16 9.929 -2.599 -0.262 1.00 0.00 H new ATOM 0 H5 C A 16 11.001 -6.099 -0.064 1.00 0.00 H new ATOM 0 H6 C A 16 11.341 -7.510 -1.984 1.00 0.00 H new ATOM 421 P G A 17 15.896 -7.210 -5.332 1.00 0.00 P ATOM 422 OP1 G A 17 16.926 -7.998 -6.047 1.00 0.00 O ATOM 423 OP2 G A 17 16.080 -7.061 -3.869 1.00 0.00 O ATOM 424 O5' G A 17 15.787 -5.756 -5.973 1.00 0.00 O ATOM 425 C5' G A 17 15.722 -5.608 -7.393 1.00 0.00 C ATOM 426 C4' G A 17 15.151 -4.242 -7.826 1.00 0.00 C ATOM 427 O4' G A 17 13.851 -3.983 -7.199 1.00 0.00 O ATOM 428 C3' G A 17 16.003 -3.024 -7.451 1.00 0.00 C ATOM 429 O3' G A 17 17.072 -2.817 -8.378 1.00 0.00 O ATOM 430 C2' G A 17 14.973 -1.892 -7.458 1.00 0.00 C ATOM 431 O2' G A 17 14.678 -1.399 -8.768 1.00 0.00 O ATOM 432 C1' G A 17 13.748 -2.592 -6.842 1.00 0.00 C ATOM 433 N9 G A 17 13.459 -2.397 -5.382 1.00 0.00 N ATOM 434 C8 G A 17 13.412 -3.306 -4.360 1.00 0.00 C ATOM 435 N7 G A 17 13.093 -2.810 -3.193 1.00 0.00 N ATOM 436 C5 G A 17 12.909 -1.481 -3.423 1.00 0.00 C ATOM 437 C6 G A 17 12.553 -0.486 -2.505 1.00 0.00 C ATOM 438 O6 G A 17 12.328 -0.664 -1.302 1.00 0.00 O ATOM 439 N1 G A 17 12.462 0.784 -3.137 1.00 0.00 N ATOM 440 C2 G A 17 12.690 1.056 -4.500 1.00 0.00 C ATOM 441 N2 G A 17 12.534 2.370 -4.821 1.00 0.00 N ATOM 442 N3 G A 17 13.034 0.057 -5.353 1.00 0.00 N ATOM 443 C4 G A 17 13.127 -1.170 -4.769 1.00 0.00 C ATOM 0 H5' G A 17 15.104 -6.403 -7.809 1.00 0.00 H new ATOM 0 H5'' G A 17 16.721 -5.729 -7.812 1.00 0.00 H new ATOM 0 H4' G A 17 15.106 -4.339 -8.911 1.00 0.00 H new ATOM 0 H3' G A 17 16.516 -3.120 -6.494 1.00 0.00 H new ATOM 0 H2' G A 17 15.316 -1.005 -6.925 1.00 0.00 H new ATOM 0 HO2' G A 17 15.403 -1.643 -9.380 1.00 0.00 H new ATOM 0 H1' G A 17 12.873 -2.097 -7.263 1.00 0.00 H new ATOM 0 H8 G A 17 13.623 -4.355 -4.507 1.00 0.00 H new ATOM 0 H1 G A 17 12.207 1.575 -2.546 1.00 0.00 H new ATOM 0 H21 G A 17 12.675 2.680 -5.782 1.00 0.00 H new ATOM 0 H22 G A 17 12.276 3.044 -4.100 1.00 0.00 H new ATOM 455 P C A 18 18.508 -2.314 -7.921 1.00 0.00 P ATOM 456 OP1 C A 18 19.394 -2.283 -9.109 1.00 0.00 O ATOM 457 OP2 C A 18 18.972 -3.129 -6.773 1.00 0.00 O ATOM 458 O5' C A 18 18.241 -0.835 -7.408 1.00 0.00 O ATOM 459 C5' C A 18 17.962 0.243 -8.297 1.00 0.00 C ATOM 460 C4' C A 18 17.601 1.551 -7.547 1.00 0.00 C ATOM 461 O4' C A 18 16.354 1.413 -6.794 1.00 0.00 O ATOM 462 C3' C A 18 18.634 2.000 -6.520 1.00 0.00 C ATOM 463 O3' C A 18 19.678 2.778 -7.104 1.00 0.00 O ATOM 464 C2' C A 18 17.834 2.728 -5.441 1.00 0.00 C ATOM 465 O2' C A 18 17.712 4.136 -5.641 1.00 0.00 O ATOM 466 C1' C A 18 16.452 2.054 -5.503 1.00 0.00 C ATOM 467 N1 C A 18 16.198 1.128 -4.358 1.00 0.00 N ATOM 468 C2 C A 18 15.867 1.661 -3.050 1.00 0.00 C ATOM 469 O2 C A 18 15.781 2.884 -2.824 1.00 0.00 O ATOM 470 N3 C A 18 15.643 0.765 -2.024 1.00 0.00 N ATOM 471 C4 C A 18 15.727 -0.578 -2.224 1.00 0.00 C ATOM 472 N4 C A 18 15.505 -1.476 -1.220 1.00 0.00 N ATOM 473 C5 C A 18 16.055 -1.082 -3.533 1.00 0.00 C ATOM 474 C6 C A 18 16.274 -0.226 -4.523 1.00 0.00 C ATOM 0 H5' C A 18 17.137 -0.035 -8.953 1.00 0.00 H new ATOM 0 H5'' C A 18 18.830 0.420 -8.933 1.00 0.00 H new ATOM 0 H4' C A 18 17.534 2.285 -8.350 1.00 0.00 H new ATOM 0 H3' C A 18 19.176 1.160 -6.085 1.00 0.00 H new ATOM 0 H2' C A 18 18.335 2.650 -4.476 1.00 0.00 H new ATOM 0 HO2' C A 18 18.332 4.421 -6.345 1.00 0.00 H new ATOM 0 HO3' C A 18 20.315 3.045 -6.409 1.00 0.00 H new ATOM 0 H1' C A 18 15.664 2.800 -5.399 1.00 0.00 H new ATOM 0 H41 C A 18 15.576 -2.476 -1.406 1.00 0.00 H new ATOM 0 H42 C A 18 15.268 -1.146 -0.284 1.00 0.00 H new ATOM 0 H5 C A 18 16.122 -2.146 -3.707 1.00 0.00 H new ATOM 0 H6 C A 18 16.522 -0.616 -5.499 1.00 0.00 H new TER 487 C A 18 ATOM 488 N ASN B 1 5.799 6.257 7.064 1.00 0.00 N ATOM 489 CA ASN B 1 6.446 5.227 6.194 1.00 0.00 C ATOM 490 C ASN B 1 5.895 5.244 4.774 1.00 0.00 C ATOM 491 O ASN B 1 4.755 5.650 4.540 1.00 0.00 O ATOM 492 CB ASN B 1 6.396 3.806 6.855 1.00 0.00 C ATOM 493 CG ASN B 1 4.977 3.303 7.196 1.00 0.00 C ATOM 494 OD1 ASN B 1 4.373 3.721 8.192 1.00 0.00 O ATOM 495 ND2 ASN B 1 4.453 2.368 6.350 1.00 0.00 N ATOM 0 H1 ASN B 1 5.541 5.829 7.976 1.00 0.00 H new ATOM 0 H2 ASN B 1 6.462 7.042 7.225 1.00 0.00 H new ATOM 0 H3 ASN B 1 4.943 6.618 6.597 1.00 0.00 H new ATOM 0 HA ASN B 1 7.500 5.490 6.103 1.00 0.00 H new ATOM 0 HB2 ASN B 1 6.868 3.090 6.182 1.00 0.00 H new ATOM 0 HB3 ASN B 1 6.990 3.824 7.769 1.00 0.00 H new ATOM 0 HD21 ASN B 1 3.525 1.983 6.527 1.00 0.00 H new ATOM 0 HD22 ASN B 1 4.990 2.054 5.541 1.00 0.00 H new ATOM 503 N ALA B 2 6.724 4.809 3.781 1.00 0.00 N ATOM 504 CA ALA B 2 6.416 4.759 2.353 1.00 0.00 C ATOM 505 C ALA B 2 5.159 3.982 1.989 1.00 0.00 C ATOM 506 O ALA B 2 4.387 4.454 1.150 1.00 0.00 O ATOM 507 CB ALA B 2 7.549 4.143 1.533 1.00 0.00 C ATOM 0 H ALA B 2 7.665 4.472 3.983 1.00 0.00 H new ATOM 0 HA ALA B 2 6.265 5.811 2.112 1.00 0.00 H new ATOM 0 HB1 ALA B 2 7.270 4.129 0.479 1.00 0.00 H new ATOM 0 HB2 ALA B 2 8.455 4.736 1.661 1.00 0.00 H new ATOM 0 HB3 ALA B 2 7.732 3.124 1.873 1.00 0.00 H new ATOM 513 N LYS B 3 4.927 2.785 2.629 1.00 0.00 N ATOM 514 CA LYS B 3 3.764 1.922 2.452 1.00 0.00 C ATOM 515 C LYS B 3 2.506 2.732 2.761 1.00 0.00 C ATOM 516 O LYS B 3 1.603 2.744 1.926 1.00 0.00 O ATOM 517 CB LYS B 3 3.798 0.587 3.267 1.00 0.00 C ATOM 518 CG LYS B 3 4.691 -0.561 2.721 1.00 0.00 C ATOM 519 CD LYS B 3 6.213 -0.289 2.612 1.00 0.00 C ATOM 520 CE LYS B 3 7.047 -1.551 2.317 1.00 0.00 C ATOM 521 NZ LYS B 3 8.471 -1.229 2.048 1.00 0.00 N ATOM 0 H LYS B 3 5.590 2.404 3.305 1.00 0.00 H new ATOM 0 HA LYS B 3 3.770 1.592 1.413 1.00 0.00 H new ATOM 0 HB2 LYS B 3 4.129 0.819 4.279 1.00 0.00 H new ATOM 0 HB3 LYS B 3 2.777 0.213 3.343 1.00 0.00 H new ATOM 0 HG2 LYS B 3 4.549 -1.432 3.361 1.00 0.00 H new ATOM 0 HG3 LYS B 3 4.325 -0.831 1.730 1.00 0.00 H new ATOM 0 HD2 LYS B 3 6.387 0.443 1.824 1.00 0.00 H new ATOM 0 HD3 LYS B 3 6.561 0.157 3.544 1.00 0.00 H new ATOM 0 HE2 LYS B 3 6.984 -2.233 3.165 1.00 0.00 H new ATOM 0 HE3 LYS B 3 6.625 -2.071 1.457 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 9.075 -1.994 2.411 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 8.617 -1.130 1.023 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 8.721 -0.337 2.521 1.00 0.00 H new ATOM 535 N THR B 4 2.447 3.474 3.920 1.00 0.00 N ATOM 536 CA THR B 4 1.343 4.360 4.284 1.00 0.00 C ATOM 537 C THR B 4 1.171 5.521 3.288 1.00 0.00 C ATOM 538 O THR B 4 0.024 5.914 3.070 1.00 0.00 O ATOM 539 CB THR B 4 1.277 4.874 5.740 1.00 0.00 C ATOM 540 OG1 THR B 4 2.490 5.466 6.191 1.00 0.00 O ATOM 541 CG2 THR B 4 0.846 3.744 6.708 1.00 0.00 C ATOM 0 H THR B 4 3.189 3.454 4.620 1.00 0.00 H new ATOM 0 HA THR B 4 0.493 3.680 4.219 1.00 0.00 H new ATOM 0 HB THR B 4 0.524 5.662 5.740 1.00 0.00 H new ATOM 0 HG1 THR B 4 3.162 5.419 5.479 1.00 0.00 H new ATOM 0 HG21 THR B 4 0.807 4.132 7.726 1.00 0.00 H new ATOM 0 HG22 THR B 4 -0.139 3.376 6.422 1.00 0.00 H new ATOM 0 HG23 THR B 4 1.566 2.928 6.658 1.00 0.00 H new ATOM 549 N ARG B 5 2.259 6.068 2.638 1.00 0.00 N ATOM 550 CA ARG B 5 2.161 7.163 1.654 1.00 0.00 C ATOM 551 C ARG B 5 1.344 6.735 0.434 1.00 0.00 C ATOM 552 O ARG B 5 0.344 7.388 0.120 1.00 0.00 O ATOM 553 CB ARG B 5 3.513 7.814 1.202 1.00 0.00 C ATOM 554 CG ARG B 5 4.508 8.232 2.314 1.00 0.00 C ATOM 555 CD ARG B 5 3.955 9.169 3.403 1.00 0.00 C ATOM 556 NE ARG B 5 4.933 9.205 4.550 1.00 0.00 N ATOM 557 CZ ARG B 5 4.635 9.593 5.833 1.00 0.00 C ATOM 558 NH1 ARG B 5 3.378 9.958 6.229 1.00 0.00 N ATOM 559 NH2 ARG B 5 5.645 9.602 6.755 1.00 0.00 N ATOM 0 H ARG B 5 3.215 5.749 2.795 1.00 0.00 H new ATOM 0 HA ARG B 5 1.646 7.953 2.200 1.00 0.00 H new ATOM 0 HB2 ARG B 5 4.021 7.112 0.541 1.00 0.00 H new ATOM 0 HB3 ARG B 5 3.280 8.698 0.608 1.00 0.00 H new ATOM 0 HG2 ARG B 5 4.882 7.329 2.796 1.00 0.00 H new ATOM 0 HG3 ARG B 5 5.362 8.719 1.844 1.00 0.00 H new ATOM 0 HD2 ARG B 5 3.807 10.171 3.000 1.00 0.00 H new ATOM 0 HD3 ARG B 5 2.982 8.817 3.746 1.00 0.00 H new ATOM 0 HE ARG B 5 5.893 8.918 4.357 1.00 0.00 H new ATOM 0 HH11 ARG B 5 2.609 9.950 5.558 1.00 0.00 H new ATOM 0 HH12 ARG B 5 3.209 10.238 7.195 1.00 0.00 H new ATOM 0 HH21 ARG B 5 6.588 9.325 6.481 1.00 0.00 H new ATOM 0 HH22 ARG B 5 5.455 9.885 7.716 1.00 0.00 H new ATOM 573 N ARG B 6 1.733 5.606 -0.242 1.00 0.00 N ATOM 574 CA ARG B 6 1.031 5.006 -1.379 1.00 0.00 C ATOM 575 C ARG B 6 -0.390 4.587 -0.974 1.00 0.00 C ATOM 576 O ARG B 6 -1.339 4.907 -1.698 1.00 0.00 O ATOM 577 CB ARG B 6 1.798 3.857 -2.110 1.00 0.00 C ATOM 578 CG ARG B 6 2.291 2.670 -1.243 1.00 0.00 C ATOM 579 CD ARG B 6 3.068 1.582 -2.004 1.00 0.00 C ATOM 580 NE ARG B 6 2.123 0.584 -2.630 1.00 0.00 N ATOM 581 CZ ARG B 6 1.797 0.490 -3.957 1.00 0.00 C ATOM 582 NH1 ARG B 6 2.066 1.483 -4.852 1.00 0.00 N ATOM 583 NH2 ARG B 6 1.190 -0.651 -4.416 1.00 0.00 N ATOM 0 H ARG B 6 2.573 5.088 0.014 1.00 0.00 H new ATOM 0 HA ARG B 6 0.972 5.793 -2.131 1.00 0.00 H new ATOM 0 HB2 ARG B 6 1.148 3.459 -2.889 1.00 0.00 H new ATOM 0 HB3 ARG B 6 2.663 4.293 -2.609 1.00 0.00 H new ATOM 0 HG2 ARG B 6 2.927 3.060 -0.449 1.00 0.00 H new ATOM 0 HG3 ARG B 6 1.428 2.209 -0.762 1.00 0.00 H new ATOM 0 HD2 ARG B 6 3.682 2.042 -2.778 1.00 0.00 H new ATOM 0 HD3 ARG B 6 3.746 1.069 -1.322 1.00 0.00 H new ATOM 0 HE ARG B 6 1.683 -0.088 -2.001 1.00 0.00 H new ATOM 0 HH11 ARG B 6 2.528 2.338 -4.542 1.00 0.00 H new ATOM 0 HH12 ARG B 6 1.806 1.371 -5.832 1.00 0.00 H new ATOM 0 HH21 ARG B 6 0.987 -1.415 -3.772 1.00 0.00 H new ATOM 0 HH22 ARG B 6 0.941 -0.735 -5.402 1.00 0.00 H new ATOM 597 N HIS B 7 -0.556 3.901 0.210 1.00 0.00 N ATOM 598 CA HIS B 7 -1.789 3.449 0.832 1.00 0.00 C ATOM 599 C HIS B 7 -2.815 4.573 0.889 1.00 0.00 C ATOM 600 O HIS B 7 -3.875 4.365 0.331 1.00 0.00 O ATOM 601 CB HIS B 7 -1.570 2.830 2.242 1.00 0.00 C ATOM 602 CG HIS B 7 -2.805 2.477 3.038 1.00 0.00 C ATOM 603 ND1 HIS B 7 -3.720 3.293 3.611 1.00 0.00 N flip ATOM 604 CD2 HIS B 7 -3.154 1.199 3.373 1.00 0.00 C flip ATOM 605 CE1 HIS B 7 -4.593 2.505 4.306 1.00 0.00 C flip ATOM 606 NE2 HIS B 7 -4.235 1.246 4.137 1.00 0.00 N flip ATOM 0 H HIS B 7 0.254 3.645 0.774 1.00 0.00 H new ATOM 0 HA HIS B 7 -2.176 2.650 0.199 1.00 0.00 H new ATOM 0 HB2 HIS B 7 -0.973 1.926 2.125 1.00 0.00 H new ATOM 0 HB3 HIS B 7 -0.977 3.530 2.830 1.00 0.00 H new ATOM 0 HD1 HIS B 7 -3.752 4.310 3.537 1.00 0.00 H new ATOM 0 HD2 HIS B 7 -2.636 0.302 3.067 1.00 0.00 H new ATOM 0 HE1 HIS B 7 -5.431 2.852 4.892 1.00 0.00 H new ATOM 615 N GLU B 8 -2.548 5.762 1.522 1.00 0.00 N ATOM 616 CA GLU B 8 -3.425 6.935 1.647 1.00 0.00 C ATOM 617 C GLU B 8 -4.378 7.165 0.453 1.00 0.00 C ATOM 618 O GLU B 8 -5.592 7.215 0.666 1.00 0.00 O ATOM 619 CB GLU B 8 -2.616 8.238 1.981 1.00 0.00 C ATOM 620 CG GLU B 8 -2.212 8.405 3.471 1.00 0.00 C ATOM 621 CD GLU B 8 -1.277 9.606 3.671 1.00 0.00 C ATOM 622 OE1 GLU B 8 -1.734 10.763 3.463 1.00 0.00 O ATOM 623 OE2 GLU B 8 -0.094 9.384 4.052 1.00 0.00 O ATOM 0 H GLU B 8 -1.651 5.917 1.982 1.00 0.00 H new ATOM 0 HA GLU B 8 -4.073 6.698 2.491 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -1.711 8.250 1.373 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -3.211 9.102 1.684 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -3.107 8.535 4.079 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -1.719 7.497 3.819 1.00 0.00 H new ATOM 630 N ARG B 9 -3.860 7.267 -0.816 1.00 0.00 N ATOM 631 CA ARG B 9 -4.631 7.439 -2.053 1.00 0.00 C ATOM 632 C ARG B 9 -5.288 6.118 -2.485 1.00 0.00 C ATOM 633 O ARG B 9 -6.502 6.094 -2.696 1.00 0.00 O ATOM 634 CB ARG B 9 -3.777 8.047 -3.218 1.00 0.00 C ATOM 635 CG ARG B 9 -4.559 8.382 -4.517 1.00 0.00 C ATOM 636 CD ARG B 9 -3.698 8.912 -5.677 1.00 0.00 C ATOM 637 NE ARG B 9 -4.582 9.045 -6.894 1.00 0.00 N ATOM 638 CZ ARG B 9 -4.152 9.305 -8.172 1.00 0.00 C ATOM 639 NH1 ARG B 9 -2.842 9.539 -8.483 1.00 0.00 N ATOM 640 NH2 ARG B 9 -5.080 9.329 -9.178 1.00 0.00 N ATOM 0 H ARG B 9 -2.855 7.228 -0.989 1.00 0.00 H new ATOM 0 HA ARG B 9 -5.418 8.160 -1.831 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -3.299 8.958 -2.857 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -2.980 7.345 -3.465 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -5.079 7.484 -4.851 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -5.322 9.124 -4.282 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -3.261 9.876 -5.417 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -2.871 8.231 -5.880 1.00 0.00 H new ATOM 0 HE ARG B 9 -5.586 8.932 -6.755 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -2.133 9.525 -7.749 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -2.573 9.728 -9.449 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -6.063 9.156 -8.969 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -4.788 9.520 -10.137 1.00 0.00 H new ATOM 654 N ARG B 10 -4.508 4.997 -2.616 1.00 0.00 N ATOM 655 CA ARG B 10 -4.924 3.642 -2.996 1.00 0.00 C ATOM 656 C ARG B 10 -6.125 3.148 -2.162 1.00 0.00 C ATOM 657 O ARG B 10 -7.064 2.589 -2.722 1.00 0.00 O ATOM 658 CB ARG B 10 -3.671 2.704 -2.900 1.00 0.00 C ATOM 659 CG ARG B 10 -3.759 1.254 -3.433 1.00 0.00 C ATOM 660 CD ARG B 10 -2.401 0.512 -3.353 1.00 0.00 C ATOM 661 NE ARG B 10 -2.559 -0.960 -3.663 1.00 0.00 N ATOM 662 CZ ARG B 10 -2.110 -1.623 -4.776 1.00 0.00 C ATOM 663 NH1 ARG B 10 -1.638 -0.994 -5.888 1.00 0.00 N ATOM 664 NH2 ARG B 10 -2.151 -2.989 -4.732 1.00 0.00 N ATOM 0 H ARG B 10 -3.504 5.041 -2.442 1.00 0.00 H new ATOM 0 HA ARG B 10 -5.287 3.636 -4.024 1.00 0.00 H new ATOM 0 HB2 ARG B 10 -2.854 3.196 -3.427 1.00 0.00 H new ATOM 0 HB3 ARG B 10 -3.385 2.649 -1.850 1.00 0.00 H new ATOM 0 HG2 ARG B 10 -4.505 0.704 -2.860 1.00 0.00 H new ATOM 0 HG3 ARG B 10 -4.101 1.270 -4.468 1.00 0.00 H new ATOM 0 HD2 ARG B 10 -1.698 0.960 -4.055 1.00 0.00 H new ATOM 0 HD3 ARG B 10 -1.977 0.632 -2.356 1.00 0.00 H new ATOM 0 HE ARG B 10 -3.053 -1.520 -2.969 1.00 0.00 H new ATOM 0 HH11 ARG B 10 -1.605 0.025 -5.922 1.00 0.00 H new ATOM 0 HH12 ARG B 10 -1.317 -1.542 -6.686 1.00 0.00 H new ATOM 0 HH21 ARG B 10 -2.503 -3.462 -3.900 1.00 0.00 H new ATOM 0 HH22 ARG B 10 -1.830 -3.535 -5.531 1.00 0.00 H new ATOM 678 N ARG B 11 -6.127 3.406 -0.816 1.00 0.00 N ATOM 679 CA ARG B 11 -7.109 3.161 0.223 1.00 0.00 C ATOM 680 C ARG B 11 -8.444 3.735 -0.205 1.00 0.00 C ATOM 681 O ARG B 11 -9.383 2.955 -0.314 1.00 0.00 O ATOM 682 CB ARG B 11 -6.631 3.719 1.588 1.00 0.00 C ATOM 683 CG ARG B 11 -7.516 3.406 2.806 1.00 0.00 C ATOM 684 CD ARG B 11 -7.400 4.424 3.942 1.00 0.00 C ATOM 685 NE ARG B 11 -7.985 3.770 5.169 1.00 0.00 N ATOM 686 CZ ARG B 11 -7.625 4.018 6.468 1.00 0.00 C ATOM 687 NH1 ARG B 11 -6.800 5.044 6.832 1.00 0.00 N ATOM 688 NH2 ARG B 11 -8.113 3.183 7.435 1.00 0.00 N ATOM 0 H ARG B 11 -5.308 3.856 -0.407 1.00 0.00 H new ATOM 0 HA ARG B 11 -7.232 2.087 0.363 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -5.632 3.331 1.784 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -6.541 4.802 1.501 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -8.556 3.356 2.483 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -7.253 2.420 3.188 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -6.359 4.701 4.110 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -7.938 5.340 3.698 1.00 0.00 H new ATOM 0 HE ARG B 11 -8.718 3.077 5.018 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -6.420 5.670 6.122 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -6.564 5.184 7.814 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -8.723 2.407 7.178 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -7.867 3.336 8.413 1.00 0.00 H new ATOM 702 N LYS B 12 -8.551 5.077 -0.484 1.00 0.00 N ATOM 703 CA LYS B 12 -9.741 5.792 -0.951 1.00 0.00 C ATOM 704 C LYS B 12 -10.487 4.997 -2.029 1.00 0.00 C ATOM 705 O LYS B 12 -11.672 4.705 -1.860 1.00 0.00 O ATOM 706 CB LYS B 12 -9.437 7.252 -1.430 1.00 0.00 C ATOM 707 CG LYS B 12 -8.947 8.217 -0.321 1.00 0.00 C ATOM 708 CD LYS B 12 -8.620 9.649 -0.811 1.00 0.00 C ATOM 709 CE LYS B 12 -8.062 10.606 0.264 1.00 0.00 C ATOM 710 NZ LYS B 12 -6.675 10.255 0.664 1.00 0.00 N ATOM 0 H LYS B 12 -7.753 5.702 -0.376 1.00 0.00 H new ATOM 0 HA LYS B 12 -10.394 5.886 -0.084 1.00 0.00 H new ATOM 0 HB2 LYS B 12 -8.681 7.211 -2.215 1.00 0.00 H new ATOM 0 HB3 LYS B 12 -10.340 7.667 -1.878 1.00 0.00 H new ATOM 0 HG2 LYS B 12 -9.712 8.278 0.453 1.00 0.00 H new ATOM 0 HG3 LYS B 12 -8.056 7.794 0.143 1.00 0.00 H new ATOM 0 HD2 LYS B 12 -7.896 9.580 -1.623 1.00 0.00 H new ATOM 0 HD3 LYS B 12 -9.526 10.088 -1.228 1.00 0.00 H new ATOM 0 HE2 LYS B 12 -8.081 11.627 -0.116 1.00 0.00 H new ATOM 0 HE3 LYS B 12 -8.709 10.581 1.141 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 -6.524 10.515 1.660 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 -6.529 9.232 0.548 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 -6.000 10.772 0.065 1.00 0.00 H new ATOM 724 N LEU B 13 -9.773 4.584 -3.120 1.00 0.00 N ATOM 725 CA LEU B 13 -10.266 3.777 -4.230 1.00 0.00 C ATOM 726 C LEU B 13 -10.670 2.373 -3.823 1.00 0.00 C ATOM 727 O LEU B 13 -11.799 1.983 -4.118 1.00 0.00 O ATOM 728 CB LEU B 13 -9.360 3.781 -5.474 1.00 0.00 C ATOM 729 CG LEU B 13 -9.227 5.179 -6.163 1.00 0.00 C ATOM 730 CD1 LEU B 13 -10.520 6.060 -6.196 1.00 0.00 C ATOM 731 CD2 LEU B 13 -7.969 5.953 -5.685 1.00 0.00 C ATOM 0 H LEU B 13 -8.789 4.829 -3.234 1.00 0.00 H new ATOM 0 HA LEU B 13 -11.179 4.288 -4.536 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -8.367 3.433 -5.188 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -9.752 3.067 -6.198 1.00 0.00 H new ATOM 0 HG LEU B 13 -9.081 4.936 -7.216 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -10.305 7.004 -6.698 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -11.306 5.533 -6.737 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -10.851 6.258 -5.177 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -7.921 6.917 -6.192 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -8.027 6.111 -4.608 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -7.075 5.375 -5.919 1.00 0.00 H new ATOM 743 N ALA B 14 -9.774 1.610 -3.124 1.00 0.00 N ATOM 744 CA ALA B 14 -9.971 0.266 -2.596 1.00 0.00 C ATOM 745 C ALA B 14 -11.224 0.154 -1.761 1.00 0.00 C ATOM 746 O ALA B 14 -11.995 -0.787 -1.972 1.00 0.00 O ATOM 747 CB ALA B 14 -8.803 -0.213 -1.721 1.00 0.00 C ATOM 0 H ALA B 14 -8.840 1.962 -2.913 1.00 0.00 H new ATOM 0 HA ALA B 14 -10.048 -0.361 -3.485 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -9.009 -1.220 -1.358 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -7.886 -0.221 -2.310 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -8.684 0.461 -0.873 1.00 0.00 H new ATOM 753 N ILE B 15 -11.467 1.131 -0.822 1.00 0.00 N ATOM 754 CA ILE B 15 -12.659 1.179 -0.006 1.00 0.00 C ATOM 755 C ILE B 15 -13.851 1.311 -0.955 1.00 0.00 C ATOM 756 O ILE B 15 -14.739 0.460 -0.926 1.00 0.00 O ATOM 757 CB ILE B 15 -12.824 2.200 1.146 1.00 0.00 C ATOM 758 CG1 ILE B 15 -11.579 2.487 2.039 1.00 0.00 C ATOM 759 CG2 ILE B 15 -13.989 1.655 2.010 1.00 0.00 C ATOM 760 CD1 ILE B 15 -11.260 3.974 2.065 1.00 0.00 C ATOM 0 H ILE B 15 -10.817 1.895 -0.636 1.00 0.00 H new ATOM 0 HA ILE B 15 -12.580 0.255 0.566 1.00 0.00 H new ATOM 0 HB ILE B 15 -13.005 3.174 0.691 1.00 0.00 H new ATOM 0 HG12 ILE B 15 -11.765 2.133 3.053 1.00 0.00 H new ATOM 0 HG13 ILE B 15 -10.720 1.933 1.661 1.00 0.00 H new ATOM 0 HG21 ILE B 15 -14.165 2.328 2.849 1.00 0.00 H new ATOM 0 HG22 ILE B 15 -14.892 1.588 1.403 1.00 0.00 H new ATOM 0 HG23 ILE B 15 -13.731 0.665 2.387 1.00 0.00 H new ATOM 0 HD11 ILE B 15 -10.388 4.148 2.695 1.00 0.00 H new ATOM 0 HD12 ILE B 15 -11.051 4.319 1.052 1.00 0.00 H new ATOM 0 HD13 ILE B 15 -12.112 4.522 2.467 1.00 0.00 H new ATOM 772 N GLU B 16 -13.867 2.387 -1.803 1.00 0.00 N ATOM 773 CA GLU B 16 -14.898 2.710 -2.765 1.00 0.00 C ATOM 774 C GLU B 16 -15.234 1.568 -3.776 1.00 0.00 C ATOM 775 O GLU B 16 -16.292 1.619 -4.410 1.00 0.00 O ATOM 776 CB GLU B 16 -14.526 4.048 -3.513 1.00 0.00 C ATOM 777 CG GLU B 16 -15.683 4.765 -4.253 1.00 0.00 C ATOM 778 CD GLU B 16 -15.198 6.083 -4.867 1.00 0.00 C ATOM 779 OE1 GLU B 16 -14.932 7.044 -4.095 1.00 0.00 O ATOM 780 OE2 GLU B 16 -15.098 6.148 -6.122 1.00 0.00 O ATOM 0 H GLU B 16 -13.109 3.069 -1.811 1.00 0.00 H new ATOM 0 HA GLU B 16 -15.816 2.843 -2.193 1.00 0.00 H new ATOM 0 HB2 GLU B 16 -14.104 4.741 -2.785 1.00 0.00 H new ATOM 0 HB3 GLU B 16 -13.741 3.829 -4.237 1.00 0.00 H new ATOM 0 HG2 GLU B 16 -16.078 4.117 -5.035 1.00 0.00 H new ATOM 0 HG3 GLU B 16 -16.500 4.960 -3.558 1.00 0.00 H new ATOM 787 N ARG B 17 -14.384 0.492 -3.913 1.00 0.00 N ATOM 788 CA ARG B 17 -14.613 -0.704 -4.730 1.00 0.00 C ATOM 789 C ARG B 17 -15.740 -1.496 -4.043 1.00 0.00 C ATOM 790 O ARG B 17 -16.776 -1.763 -4.656 1.00 0.00 O ATOM 791 CB ARG B 17 -13.381 -1.660 -4.919 1.00 0.00 C ATOM 792 CG ARG B 17 -12.135 -1.119 -5.665 1.00 0.00 C ATOM 793 CD ARG B 17 -10.980 -2.138 -5.877 1.00 0.00 C ATOM 794 NE ARG B 17 -10.532 -2.737 -4.554 1.00 0.00 N ATOM 795 CZ ARG B 17 -9.257 -3.097 -4.198 1.00 0.00 C ATOM 796 NH1 ARG B 17 -8.177 -2.952 -5.018 1.00 0.00 N ATOM 797 NH2 ARG B 17 -9.053 -3.619 -2.948 1.00 0.00 N ATOM 0 H ARG B 17 -13.488 0.457 -3.426 1.00 0.00 H new ATOM 0 HA ARG B 17 -14.850 -0.354 -5.735 1.00 0.00 H new ATOM 0 HB2 ARG B 17 -13.060 -1.987 -3.930 1.00 0.00 H new ATOM 0 HB3 ARG B 17 -13.727 -2.546 -5.451 1.00 0.00 H new ATOM 0 HG2 ARG B 17 -12.451 -0.748 -6.640 1.00 0.00 H new ATOM 0 HG3 ARG B 17 -11.745 -0.266 -5.111 1.00 0.00 H new ATOM 0 HD2 ARG B 17 -11.309 -2.932 -6.547 1.00 0.00 H new ATOM 0 HD3 ARG B 17 -10.138 -1.643 -6.360 1.00 0.00 H new ATOM 0 HE ARG B 17 -11.259 -2.888 -3.854 1.00 0.00 H new ATOM 0 HH11 ARG B 17 -8.295 -2.558 -5.951 1.00 0.00 H new ATOM 0 HH12 ARG B 17 -7.252 -3.238 -4.698 1.00 0.00 H new ATOM 0 HH21 ARG B 17 -9.839 -3.732 -2.308 1.00 0.00 H new ATOM 0 HH22 ARG B 17 -8.115 -3.895 -2.657 1.00 0.00 H new ATOM 811 N ASP B 18 -15.530 -1.842 -2.735 1.00 0.00 N ATOM 812 CA ASP B 18 -16.387 -2.545 -1.798 1.00 0.00 C ATOM 813 C ASP B 18 -17.718 -1.822 -1.551 1.00 0.00 C ATOM 814 O ASP B 18 -18.770 -2.460 -1.641 1.00 0.00 O ATOM 815 CB ASP B 18 -15.620 -2.816 -0.456 1.00 0.00 C ATOM 816 CG ASP B 18 -16.381 -3.758 0.488 1.00 0.00 C ATOM 817 OD1 ASP B 18 -16.561 -4.952 0.126 1.00 0.00 O ATOM 818 OD2 ASP B 18 -16.781 -3.293 1.589 1.00 0.00 O ATOM 0 H ASP B 18 -14.648 -1.594 -2.287 1.00 0.00 H new ATOM 0 HA ASP B 18 -16.646 -3.502 -2.251 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -14.644 -3.246 -0.682 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -15.441 -1.868 0.052 1.00 0.00 H new ATOM 823 N THR B 19 -17.668 -0.490 -1.236 1.00 0.00 N ATOM 824 CA THR B 19 -18.759 0.449 -0.942 1.00 0.00 C ATOM 825 C THR B 19 -20.024 0.192 -1.806 1.00 0.00 C ATOM 826 O THR B 19 -19.932 0.226 -3.062 1.00 0.00 O ATOM 827 CB THR B 19 -18.376 1.944 -1.028 1.00 0.00 C ATOM 828 OG1 THR B 19 -17.986 2.326 -2.334 1.00 0.00 O ATOM 829 CG2 THR B 19 -17.355 2.379 0.051 1.00 0.00 C ATOM 830 OXT THR B 19 -21.099 -0.055 -1.194 1.00 0.00 O ATOM 0 H THR B 19 -16.766 -0.017 -1.181 1.00 0.00 H new ATOM 0 HA THR B 19 -18.986 0.240 0.103 1.00 0.00 H new ATOM 0 HB THR B 19 -19.288 2.496 -0.803 1.00 0.00 H new ATOM 0 HG1 THR B 19 -18.496 1.809 -2.992 1.00 0.00 H new ATOM 0 HG21 THR B 19 -17.130 3.439 -0.067 1.00 0.00 H new ATOM 0 HG22 THR B 19 -17.776 2.205 1.041 1.00 0.00 H new ATOM 0 HG23 THR B 19 -16.439 1.799 -0.060 1.00 0.00 H new TER 838 THR B 19