USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 516 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 NoAdj-H: A 34 HIS HE2 : A 34 HIS NE2 : A 57 ZNZN :(H bumps) USER MOD Set 1.1: A 37 LYS NZ :NH3+ 148:sc= -0.341 (180deg=-1.58) USER MOD Set 1.2: B 519 U O2' : rot -24:sc= 0.753 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc=-0.00765 X(o=-0.0077,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.125 K(o=-0.13,f=-0.77) USER MOD Single : A 12 GLN : amide:sc= -0.0213 X(o=-0.021,f=0) USER MOD Single : A 19 SER OG : rot -20:sc= 0.164 USER MOD Single : A 20 GLN : amide:sc= -0.189 K(o=-0.19,f=-1.9!) USER MOD Single : A 25 GLN : amide:sc= -0.0111 X(o=-0.011,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -121:sc= 0 (180deg=-0.299) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -132:sc= 2.82 (180deg=0.0688) USER MOD Single : A 52 GLN : amide:sc= -0.402 K(o=-0.4,f=-4!) USER MOD Single : A 53 THR OG1 : rot 39:sc= 0.583 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : B 517 U O2' : rot -83:sc= 0.7 USER MOD Single : B 518 U O2' : rot -28:sc= 0.492 USER MOD Single : B 520 U O2' : rot -27:sc= 0.509 USER MOD Single : B 521 G O2' : rot -15:sc= 0.55 USER MOD Single : B 522 C O2' : rot -20:sc= 0.411 USER MOD Single : B 523 U O2' : rot -33:sc= 0.453 USER MOD Single : B 523 U O3' : rot 180:sc= 0.33 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.342 3.472 12.012 1.00 0.00 N ATOM 2 CA ALA A 1 -10.744 4.238 10.846 1.00 0.00 C ATOM 3 C ALA A 1 -10.112 5.631 10.914 1.00 0.00 C ATOM 4 O ALA A 1 -10.372 6.389 11.847 1.00 0.00 O ATOM 5 CB ALA A 1 -12.271 4.294 10.772 1.00 0.00 C ATOM 0 H1 ALA A 1 -10.769 2.525 11.969 1.00 0.00 H new ATOM 0 H2 ALA A 1 -9.306 3.384 12.029 1.00 0.00 H new ATOM 0 H3 ALA A 1 -10.662 3.958 12.874 1.00 0.00 H new ATOM 0 HA ALA A 1 -10.391 3.759 9.932 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -12.572 4.869 9.896 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -12.669 3.282 10.696 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -12.662 4.771 11.671 1.00 0.00 H new ATOM 11 N THR A 2 -9.295 5.925 9.912 1.00 0.00 N ATOM 12 CA THR A 2 -8.624 7.211 9.847 1.00 0.00 C ATOM 13 C THR A 2 -9.003 7.946 8.559 1.00 0.00 C ATOM 14 O THR A 2 -9.110 7.330 7.499 1.00 0.00 O ATOM 15 CB THR A 2 -7.121 6.969 9.988 1.00 0.00 C ATOM 16 OG1 THR A 2 -6.537 8.242 9.725 1.00 0.00 O ATOM 17 CG2 THR A 2 -6.566 6.069 8.882 1.00 0.00 C ATOM 0 H THR A 2 -9.083 5.294 9.139 1.00 0.00 H new ATOM 0 HA THR A 2 -8.940 7.863 10.661 1.00 0.00 H new ATOM 0 HB THR A 2 -6.916 6.519 10.959 1.00 0.00 H new ATOM 0 HG1 THR A 2 -5.562 8.176 9.797 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.495 5.930 9.030 1.00 0.00 H new ATOM 0 HG22 THR A 2 -7.066 5.101 8.915 1.00 0.00 H new ATOM 0 HG23 THR A 2 -6.741 6.534 7.912 1.00 0.00 H new ATOM 25 N VAL A 3 -9.196 9.249 8.693 1.00 0.00 N ATOM 26 CA VAL A 3 -9.561 10.073 7.554 1.00 0.00 C ATOM 27 C VAL A 3 -8.739 11.363 7.579 1.00 0.00 C ATOM 28 O VAL A 3 -8.857 12.160 8.509 1.00 0.00 O ATOM 29 CB VAL A 3 -11.071 10.325 7.552 1.00 0.00 C ATOM 30 CG1 VAL A 3 -11.476 11.233 8.715 1.00 0.00 C ATOM 31 CG2 VAL A 3 -11.526 10.913 6.215 1.00 0.00 C ATOM 0 H VAL A 3 -9.106 9.755 9.574 1.00 0.00 H new ATOM 0 HA VAL A 3 -9.330 9.559 6.621 1.00 0.00 H new ATOM 0 HB VAL A 3 -11.571 9.366 7.685 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -12.553 11.396 8.691 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -11.202 10.760 9.658 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -10.962 12.190 8.626 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -12.602 11.083 6.240 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -11.013 11.859 6.040 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -11.287 10.217 5.411 1.00 0.00 H new ATOM 41 N VAL A 4 -7.926 11.529 6.547 1.00 0.00 N ATOM 42 CA VAL A 4 -7.085 12.709 6.438 1.00 0.00 C ATOM 43 C VAL A 4 -7.143 13.243 5.006 1.00 0.00 C ATOM 44 O VAL A 4 -6.714 12.567 4.071 1.00 0.00 O ATOM 45 CB VAL A 4 -5.663 12.382 6.898 1.00 0.00 C ATOM 46 CG1 VAL A 4 -5.646 11.952 8.366 1.00 0.00 C ATOM 47 CG2 VAL A 4 -5.031 11.312 6.006 1.00 0.00 C ATOM 0 H VAL A 4 -7.831 10.866 5.778 1.00 0.00 H new ATOM 0 HA VAL A 4 -7.451 13.500 7.093 1.00 0.00 H new ATOM 0 HB VAL A 4 -5.065 13.289 6.808 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -4.623 11.725 8.667 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -6.036 12.759 8.986 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -6.266 11.065 8.492 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.021 11.098 6.355 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -5.630 10.402 6.049 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -4.991 11.672 4.978 1.00 0.00 H new ATOM 57 N SER A 5 -7.676 14.448 4.878 1.00 0.00 N ATOM 58 CA SER A 5 -7.795 15.080 3.575 1.00 0.00 C ATOM 59 C SER A 5 -7.398 16.555 3.669 1.00 0.00 C ATOM 60 O SER A 5 -7.333 17.114 4.762 1.00 0.00 O ATOM 61 CB SER A 5 -9.218 14.948 3.027 1.00 0.00 C ATOM 62 OG SER A 5 -10.141 15.772 3.734 1.00 0.00 O ATOM 0 H SER A 5 -8.031 15.005 5.656 1.00 0.00 H new ATOM 0 HA SER A 5 -7.120 14.572 2.886 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.226 15.218 1.971 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.537 13.908 3.093 1.00 0.00 H new ATOM 0 HG SER A 5 -11.037 15.661 3.353 1.00 0.00 H new ATOM 68 N GLY A 6 -7.143 17.141 2.509 1.00 0.00 N ATOM 69 CA GLY A 6 -6.753 18.539 2.447 1.00 0.00 C ATOM 70 C GLY A 6 -7.930 19.418 2.017 1.00 0.00 C ATOM 71 O GLY A 6 -9.086 19.076 2.261 1.00 0.00 O ATOM 0 H GLY A 6 -7.199 16.673 1.604 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -6.390 18.863 3.423 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -5.929 18.659 1.744 1.00 0.00 H new ATOM 75 N GLN A 7 -7.594 20.532 1.384 1.00 0.00 N ATOM 76 CA GLN A 7 -8.608 21.462 0.918 1.00 0.00 C ATOM 77 C GLN A 7 -8.024 22.399 -0.142 1.00 0.00 C ATOM 78 O GLN A 7 -6.806 22.525 -0.259 1.00 0.00 O ATOM 79 CB GLN A 7 -9.202 22.256 2.084 1.00 0.00 C ATOM 80 CG GLN A 7 -8.157 23.187 2.701 1.00 0.00 C ATOM 81 CD GLN A 7 -8.610 23.686 4.075 1.00 0.00 C ATOM 82 OE1 GLN A 7 -8.722 22.936 5.031 1.00 0.00 O ATOM 83 NE2 GLN A 7 -8.865 24.991 4.119 1.00 0.00 N ATOM 0 H GLN A 7 -6.634 20.812 1.183 1.00 0.00 H new ATOM 0 HA GLN A 7 -9.416 20.889 0.463 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -10.054 22.840 1.735 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -9.576 21.569 2.843 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -7.207 22.661 2.796 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -7.986 24.037 2.040 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -8.751 25.562 3.281 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -9.175 25.421 4.991 1.00 0.00 H new ATOM 92 N LYS A 8 -8.919 23.030 -0.887 1.00 0.00 N ATOM 93 CA LYS A 8 -8.507 23.950 -1.932 1.00 0.00 C ATOM 94 C LYS A 8 -7.657 23.201 -2.960 1.00 0.00 C ATOM 95 O LYS A 8 -6.429 23.251 -2.910 1.00 0.00 O ATOM 96 CB LYS A 8 -7.807 25.170 -1.327 1.00 0.00 C ATOM 97 CG LYS A 8 -8.773 26.349 -1.201 1.00 0.00 C ATOM 98 CD LYS A 8 -9.324 26.457 0.223 1.00 0.00 C ATOM 99 CE LYS A 8 -10.069 27.778 0.424 1.00 0.00 C ATOM 100 NZ LYS A 8 -11.222 27.590 1.333 1.00 0.00 N ATOM 0 H LYS A 8 -9.928 22.922 -0.787 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.377 24.340 -2.461 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.408 24.915 -0.345 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -6.960 25.454 -1.951 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -8.261 27.273 -1.468 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -9.596 26.226 -1.905 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -9.997 25.622 0.421 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -8.506 26.384 0.940 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -9.391 28.525 0.837 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -10.415 28.157 -0.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -11.716 28.496 1.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -11.876 26.892 0.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -10.885 27.249 2.256 1.00 0.00 H new ATOM 114 N GLN A 9 -8.344 22.523 -3.867 1.00 0.00 N ATOM 115 CA GLN A 9 -7.668 21.764 -4.905 1.00 0.00 C ATOM 116 C GLN A 9 -8.207 22.153 -6.284 1.00 0.00 C ATOM 117 O GLN A 9 -8.973 21.404 -6.888 1.00 0.00 O ATOM 118 CB GLN A 9 -7.810 20.260 -4.666 1.00 0.00 C ATOM 119 CG GLN A 9 -6.480 19.646 -4.224 1.00 0.00 C ATOM 120 CD GLN A 9 -5.894 18.760 -5.324 1.00 0.00 C ATOM 121 OE1 GLN A 9 -6.594 18.040 -6.017 1.00 0.00 O ATOM 122 NE2 GLN A 9 -4.573 18.850 -5.445 1.00 0.00 N ATOM 0 H GLN A 9 -9.363 22.483 -3.905 1.00 0.00 H new ATOM 0 HA GLN A 9 -6.606 22.005 -4.870 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -8.569 20.079 -3.904 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -8.153 19.774 -5.579 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -5.774 20.438 -3.976 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -6.630 19.057 -3.319 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -4.046 19.473 -4.833 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -4.087 18.296 -6.150 1.00 0.00 H new ATOM 131 N ASP A 10 -7.785 23.322 -6.740 1.00 0.00 N ATOM 132 CA ASP A 10 -8.216 23.820 -8.036 1.00 0.00 C ATOM 133 C ASP A 10 -6.991 24.249 -8.845 1.00 0.00 C ATOM 134 O ASP A 10 -5.938 24.542 -8.278 1.00 0.00 O ATOM 135 CB ASP A 10 -9.130 25.037 -7.882 1.00 0.00 C ATOM 136 CG ASP A 10 -8.425 26.326 -7.459 1.00 0.00 C ATOM 137 OD1 ASP A 10 -7.517 26.223 -6.606 1.00 0.00 O ATOM 138 OD2 ASP A 10 -8.811 27.387 -7.996 1.00 0.00 O ATOM 0 H ASP A 10 -7.149 23.940 -6.236 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.760 23.022 -8.540 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -9.638 25.213 -8.830 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -9.900 24.804 -7.146 1.00 0.00 H new ATOM 143 N ARG A 11 -7.167 24.272 -10.158 1.00 0.00 N ATOM 144 CA ARG A 11 -6.088 24.660 -11.051 1.00 0.00 C ATOM 145 C ARG A 11 -6.574 24.656 -12.503 1.00 0.00 C ATOM 146 O ARG A 11 -6.425 23.659 -13.207 1.00 0.00 O ATOM 147 CB ARG A 11 -4.893 23.713 -10.918 1.00 0.00 C ATOM 148 CG ARG A 11 -3.686 24.240 -11.694 1.00 0.00 C ATOM 149 CD ARG A 11 -2.422 24.206 -10.833 1.00 0.00 C ATOM 150 NE ARG A 11 -1.223 24.350 -11.687 1.00 0.00 N ATOM 151 CZ ARG A 11 -0.011 24.693 -11.230 1.00 0.00 C ATOM 152 NH1 ARG A 11 0.170 24.930 -9.923 1.00 0.00 N ATOM 153 NH2 ARG A 11 1.021 24.801 -12.080 1.00 0.00 N ATOM 0 H ARG A 11 -8.040 24.028 -10.625 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.772 25.665 -10.772 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.631 23.598 -9.866 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.165 22.725 -11.289 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -3.535 23.639 -12.591 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.879 25.261 -12.023 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -2.452 25.009 -10.096 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -2.374 23.268 -10.280 1.00 0.00 H new ATOM 0 HE ARG A 11 -1.325 24.177 -12.687 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.615 24.849 -9.277 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.093 25.191 -9.575 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.883 24.622 -13.075 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.943 25.062 -11.732 1.00 0.00 H new ATOM 167 N GLN A 12 -7.144 25.782 -12.905 1.00 0.00 N ATOM 168 CA GLN A 12 -7.652 25.920 -14.260 1.00 0.00 C ATOM 169 C GLN A 12 -8.803 24.941 -14.498 1.00 0.00 C ATOM 170 O GLN A 12 -8.788 23.823 -13.986 1.00 0.00 O ATOM 171 CB GLN A 12 -6.537 25.716 -15.288 1.00 0.00 C ATOM 172 CG GLN A 12 -6.245 27.011 -16.047 1.00 0.00 C ATOM 173 CD GLN A 12 -5.232 27.873 -15.290 1.00 0.00 C ATOM 174 OE1 GLN A 12 -4.038 27.837 -15.542 1.00 0.00 O ATOM 175 NE2 GLN A 12 -5.773 28.648 -14.354 1.00 0.00 N ATOM 0 H GLN A 12 -7.266 26.607 -12.317 1.00 0.00 H new ATOM 0 HA GLN A 12 -8.032 26.934 -14.382 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -5.633 25.374 -14.785 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -6.825 24.935 -15.992 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -5.859 26.776 -17.039 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -7.170 27.570 -16.189 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -6.780 28.629 -14.195 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -5.180 29.262 -13.795 1.00 0.00 H new ATOM 184 N GLY A 13 -9.774 25.396 -15.275 1.00 0.00 N ATOM 185 CA GLY A 13 -10.931 24.574 -15.587 1.00 0.00 C ATOM 186 C GLY A 13 -10.516 23.303 -16.330 1.00 0.00 C ATOM 187 O GLY A 13 -9.998 23.372 -17.443 1.00 0.00 O ATOM 0 H GLY A 13 -9.784 26.324 -15.698 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -11.451 24.308 -14.667 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -11.632 25.143 -16.197 1.00 0.00 H new ATOM 191 N GLY A 14 -10.760 22.173 -15.684 1.00 0.00 N ATOM 192 CA GLY A 14 -10.418 20.887 -16.270 1.00 0.00 C ATOM 193 C GLY A 14 -10.680 20.884 -17.777 1.00 0.00 C ATOM 194 O GLY A 14 -11.625 21.516 -18.247 1.00 0.00 O ATOM 0 H GLY A 14 -11.190 22.120 -14.761 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -9.368 20.664 -16.079 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.002 20.100 -15.794 1.00 0.00 H new ATOM 198 N GLU A 15 -9.827 20.167 -18.493 1.00 0.00 N ATOM 199 CA GLU A 15 -9.955 20.073 -19.937 1.00 0.00 C ATOM 200 C GLU A 15 -11.321 19.496 -20.313 1.00 0.00 C ATOM 201 O GLU A 15 -11.693 18.419 -19.850 1.00 0.00 O ATOM 202 CB GLU A 15 -8.822 19.236 -20.535 1.00 0.00 C ATOM 203 CG GLU A 15 -8.166 19.961 -21.711 1.00 0.00 C ATOM 204 CD GLU A 15 -6.958 20.778 -21.247 1.00 0.00 C ATOM 205 OE1 GLU A 15 -5.920 20.144 -20.963 1.00 0.00 O ATOM 206 OE2 GLU A 15 -7.100 22.018 -21.187 1.00 0.00 O ATOM 0 H GLU A 15 -9.044 19.645 -18.100 1.00 0.00 H new ATOM 0 HA GLU A 15 -9.880 21.077 -20.355 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.075 19.029 -19.769 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.212 18.274 -20.868 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.852 19.235 -22.461 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.893 20.619 -22.188 1.00 0.00 H new ATOM 213 N ARG A 16 -12.031 20.238 -21.149 1.00 0.00 N ATOM 214 CA ARG A 16 -13.349 19.814 -21.593 1.00 0.00 C ATOM 215 C ARG A 16 -13.238 19.010 -22.890 1.00 0.00 C ATOM 216 O ARG A 16 -13.694 17.870 -22.959 1.00 0.00 O ATOM 217 CB ARG A 16 -14.267 21.016 -21.822 1.00 0.00 C ATOM 218 CG ARG A 16 -14.932 21.455 -20.515 1.00 0.00 C ATOM 219 CD ARG A 16 -16.456 21.370 -20.621 1.00 0.00 C ATOM 220 NE ARG A 16 -17.034 22.731 -20.702 1.00 0.00 N ATOM 221 CZ ARG A 16 -17.329 23.486 -19.636 1.00 0.00 C ATOM 222 NH1 ARG A 16 -17.103 23.019 -18.400 1.00 0.00 N ATOM 223 NH2 ARG A 16 -17.851 24.708 -19.805 1.00 0.00 N ATOM 0 H ARG A 16 -11.719 21.131 -21.531 1.00 0.00 H new ATOM 0 HA ARG A 16 -13.778 19.189 -20.810 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -13.692 21.843 -22.237 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -15.032 20.760 -22.555 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -14.585 20.825 -19.696 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -14.637 22.477 -20.278 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -16.736 20.794 -21.503 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -16.860 20.845 -19.756 1.00 0.00 H new ATOM 0 HE ARG A 16 -17.219 23.118 -21.628 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -16.706 22.088 -18.271 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -17.328 23.594 -17.588 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -18.024 25.063 -20.745 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -18.076 25.283 -18.993 1.00 0.00 H new ATOM 237 N ARG A 17 -12.631 19.638 -23.887 1.00 0.00 N ATOM 238 CA ARG A 17 -12.455 18.995 -25.179 1.00 0.00 C ATOM 239 C ARG A 17 -12.114 17.515 -24.993 1.00 0.00 C ATOM 240 O ARG A 17 -11.258 17.168 -24.181 1.00 0.00 O ATOM 241 CB ARG A 17 -11.342 19.670 -25.982 1.00 0.00 C ATOM 242 CG ARG A 17 -11.906 20.357 -27.228 1.00 0.00 C ATOM 243 CD ARG A 17 -12.155 19.343 -28.348 1.00 0.00 C ATOM 244 NE ARG A 17 -13.403 19.681 -29.067 1.00 0.00 N ATOM 245 CZ ARG A 17 -13.475 20.568 -30.070 1.00 0.00 C ATOM 246 NH1 ARG A 17 -12.372 21.211 -30.477 1.00 0.00 N ATOM 247 NH2 ARG A 17 -14.650 20.811 -30.666 1.00 0.00 N ATOM 0 H ARG A 17 -12.255 20.584 -23.826 1.00 0.00 H new ATOM 0 HA ARG A 17 -13.392 19.090 -25.727 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.831 20.403 -25.358 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.599 18.928 -26.276 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -12.838 20.864 -26.978 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -11.210 21.122 -27.573 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -11.315 19.341 -29.042 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -12.226 18.338 -27.931 1.00 0.00 H new ATOM 0 HE ARG A 17 -14.262 19.210 -28.782 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -11.477 21.026 -30.024 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -12.427 21.886 -31.240 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -15.490 20.321 -30.357 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -14.705 21.486 -31.429 1.00 0.00 H new ATOM 261 N ARG A 18 -12.802 16.681 -25.759 1.00 0.00 N ATOM 262 CA ARG A 18 -12.584 15.247 -25.689 1.00 0.00 C ATOM 263 C ARG A 18 -13.507 14.520 -26.670 1.00 0.00 C ATOM 264 O ARG A 18 -14.306 13.677 -26.267 1.00 0.00 O ATOM 265 CB ARG A 18 -12.836 14.719 -24.276 1.00 0.00 C ATOM 266 CG ARG A 18 -14.245 15.078 -23.800 1.00 0.00 C ATOM 267 CD ARG A 18 -14.385 14.866 -22.291 1.00 0.00 C ATOM 268 NE ARG A 18 -14.888 16.101 -21.650 1.00 0.00 N ATOM 269 CZ ARG A 18 -15.488 16.136 -20.452 1.00 0.00 C ATOM 270 NH1 ARG A 18 -15.662 15.003 -19.758 1.00 0.00 N ATOM 271 NH2 ARG A 18 -15.912 17.303 -19.948 1.00 0.00 N ATOM 0 H ARG A 18 -13.511 16.972 -26.432 1.00 0.00 H new ATOM 0 HA ARG A 18 -11.544 15.057 -25.955 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -12.708 13.637 -24.260 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -12.099 15.138 -23.591 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -14.462 16.117 -24.046 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -14.977 14.466 -24.326 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -15.068 14.040 -22.094 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -13.421 14.591 -21.863 1.00 0.00 H new ATOM 0 HE ARG A 18 -14.771 16.981 -22.152 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -15.338 14.115 -20.142 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -16.118 15.028 -18.846 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -15.778 18.165 -20.476 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -16.369 17.329 -19.036 1.00 0.00 H new ATOM 285 N SER A 19 -13.366 14.875 -27.939 1.00 0.00 N ATOM 286 CA SER A 19 -14.177 14.268 -28.980 1.00 0.00 C ATOM 287 C SER A 19 -15.608 14.064 -28.477 1.00 0.00 C ATOM 288 O SER A 19 -16.087 14.822 -27.635 1.00 0.00 O ATOM 289 CB SER A 19 -13.581 12.935 -29.436 1.00 0.00 C ATOM 290 OG SER A 19 -13.783 11.903 -28.476 1.00 0.00 O ATOM 0 H SER A 19 -12.702 15.575 -28.269 1.00 0.00 H new ATOM 0 HA SER A 19 -14.192 14.941 -29.837 1.00 0.00 H new ATOM 0 HB2 SER A 19 -14.032 12.642 -30.384 1.00 0.00 H new ATOM 0 HB3 SER A 19 -12.513 13.058 -29.616 1.00 0.00 H new ATOM 0 HG SER A 19 -13.968 12.302 -27.600 1.00 0.00 H new ATOM 296 N GLN A 20 -16.249 13.036 -29.013 1.00 0.00 N ATOM 297 CA GLN A 20 -17.615 12.723 -28.628 1.00 0.00 C ATOM 298 C GLN A 20 -17.624 11.724 -27.470 1.00 0.00 C ATOM 299 O GLN A 20 -18.487 10.849 -27.406 1.00 0.00 O ATOM 300 CB GLN A 20 -18.411 12.187 -29.820 1.00 0.00 C ATOM 301 CG GLN A 20 -19.803 12.818 -29.878 1.00 0.00 C ATOM 302 CD GLN A 20 -19.838 13.980 -30.873 1.00 0.00 C ATOM 303 OE1 GLN A 20 -18.822 14.428 -31.379 1.00 0.00 O ATOM 304 NE2 GLN A 20 -21.060 14.441 -31.124 1.00 0.00 N ATOM 0 H GLN A 20 -15.848 12.409 -29.711 1.00 0.00 H new ATOM 0 HA GLN A 20 -18.097 13.642 -28.294 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -17.874 12.397 -30.745 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -18.502 11.103 -29.744 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -20.536 12.065 -30.167 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -20.086 13.174 -28.888 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -21.868 14.020 -30.666 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -21.189 15.216 -31.775 1.00 0.00 H new ATOM 313 N LEU A 21 -16.655 11.887 -26.582 1.00 0.00 N ATOM 314 CA LEU A 21 -16.541 11.011 -25.428 1.00 0.00 C ATOM 315 C LEU A 21 -17.761 11.202 -24.526 1.00 0.00 C ATOM 316 O LEU A 21 -17.864 12.200 -23.816 1.00 0.00 O ATOM 317 CB LEU A 21 -15.207 11.236 -24.713 1.00 0.00 C ATOM 318 CG LEU A 21 -14.571 10.000 -24.072 1.00 0.00 C ATOM 319 CD1 LEU A 21 -13.428 10.395 -23.136 1.00 0.00 C ATOM 320 CD2 LEU A 21 -15.625 9.148 -23.363 1.00 0.00 C ATOM 0 H LEU A 21 -15.941 12.613 -26.638 1.00 0.00 H new ATOM 0 HA LEU A 21 -16.536 9.967 -25.742 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -14.500 11.654 -25.429 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -15.356 11.987 -23.937 1.00 0.00 H new ATOM 0 HG LEU A 21 -14.141 9.387 -24.864 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -12.994 9.498 -22.694 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -12.663 10.928 -23.701 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -13.811 11.040 -22.346 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -15.147 8.276 -22.916 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -16.105 9.738 -22.583 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -16.374 8.821 -24.084 1.00 0.00 H new ATOM 332 N ASP A 22 -18.658 10.227 -24.583 1.00 0.00 N ATOM 333 CA ASP A 22 -19.868 10.275 -23.780 1.00 0.00 C ATOM 334 C ASP A 22 -19.509 10.045 -22.310 1.00 0.00 C ATOM 335 O ASP A 22 -18.527 9.370 -22.006 1.00 0.00 O ATOM 336 CB ASP A 22 -20.852 9.182 -24.202 1.00 0.00 C ATOM 337 CG ASP A 22 -22.306 9.638 -24.333 1.00 0.00 C ATOM 338 OD1 ASP A 22 -22.710 10.491 -23.512 1.00 0.00 O ATOM 339 OD2 ASP A 22 -22.982 9.124 -25.251 1.00 0.00 O ATOM 0 H ASP A 22 -18.570 9.400 -25.173 1.00 0.00 H new ATOM 0 HA ASP A 22 -20.330 11.252 -23.924 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -20.528 8.772 -25.158 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -20.805 8.371 -23.475 1.00 0.00 H new ATOM 344 N ARG A 23 -20.323 10.621 -21.439 1.00 0.00 N ATOM 345 CA ARG A 23 -20.104 10.488 -20.009 1.00 0.00 C ATOM 346 C ARG A 23 -20.259 9.027 -19.581 1.00 0.00 C ATOM 347 O ARG A 23 -19.925 8.667 -18.454 1.00 0.00 O ATOM 348 CB ARG A 23 -21.089 11.350 -19.218 1.00 0.00 C ATOM 349 CG ARG A 23 -20.452 12.682 -18.816 1.00 0.00 C ATOM 350 CD ARG A 23 -19.155 12.458 -18.037 1.00 0.00 C ATOM 351 NE ARG A 23 -19.111 13.349 -16.857 1.00 0.00 N ATOM 352 CZ ARG A 23 -18.062 13.451 -16.030 1.00 0.00 C ATOM 353 NH1 ARG A 23 -16.963 12.716 -16.250 1.00 0.00 N ATOM 354 NH2 ARG A 23 -18.112 14.286 -14.983 1.00 0.00 N ATOM 0 H ARG A 23 -21.136 11.181 -21.696 1.00 0.00 H new ATOM 0 HA ARG A 23 -19.090 10.827 -19.797 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -21.979 11.535 -19.819 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -21.412 10.814 -18.326 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -20.247 13.275 -19.708 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -21.152 13.254 -18.207 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -19.087 11.417 -17.720 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -18.297 12.651 -18.681 1.00 0.00 H new ATOM 0 HE ARG A 23 -19.932 13.922 -16.661 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -16.926 12.080 -17.046 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -16.164 12.793 -15.621 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -18.949 14.844 -14.815 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -17.313 14.363 -14.354 1.00 0.00 H new ATOM 368 N ASP A 24 -20.765 8.223 -20.505 1.00 0.00 N ATOM 369 CA ASP A 24 -20.968 6.810 -20.239 1.00 0.00 C ATOM 370 C ASP A 24 -20.422 5.991 -21.410 1.00 0.00 C ATOM 371 O ASP A 24 -20.924 4.906 -21.702 1.00 0.00 O ATOM 372 CB ASP A 24 -22.455 6.486 -20.089 1.00 0.00 C ATOM 373 CG ASP A 24 -23.327 6.883 -21.281 1.00 0.00 C ATOM 374 OD1 ASP A 24 -22.842 7.702 -22.092 1.00 0.00 O ATOM 375 OD2 ASP A 24 -24.459 6.358 -21.356 1.00 0.00 O ATOM 0 H ASP A 24 -21.041 8.524 -21.440 1.00 0.00 H new ATOM 0 HA ASP A 24 -20.450 6.564 -19.312 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -22.563 5.415 -19.920 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -22.833 6.988 -19.199 1.00 0.00 H new ATOM 380 N GLN A 25 -19.399 6.540 -22.049 1.00 0.00 N ATOM 381 CA GLN A 25 -18.780 5.874 -23.182 1.00 0.00 C ATOM 382 C GLN A 25 -17.306 5.588 -22.888 1.00 0.00 C ATOM 383 O GLN A 25 -16.548 6.497 -22.553 1.00 0.00 O ATOM 384 CB GLN A 25 -18.932 6.705 -24.457 1.00 0.00 C ATOM 385 CG GLN A 25 -18.360 5.963 -25.667 1.00 0.00 C ATOM 386 CD GLN A 25 -18.566 6.768 -26.952 1.00 0.00 C ATOM 387 OE1 GLN A 25 -19.422 6.476 -27.770 1.00 0.00 O ATOM 388 NE2 GLN A 25 -17.733 7.798 -27.084 1.00 0.00 N ATOM 0 H GLN A 25 -18.984 7.439 -21.803 1.00 0.00 H new ATOM 0 HA GLN A 25 -19.290 4.924 -23.343 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -19.985 6.927 -24.627 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -18.420 7.660 -24.336 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -17.296 5.779 -25.516 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -18.842 4.990 -25.762 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -17.038 7.988 -26.362 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -17.789 8.397 -27.907 1.00 0.00 H new ATOM 397 N CYS A 26 -16.943 4.321 -23.024 1.00 0.00 N ATOM 398 CA CYS A 26 -15.574 3.902 -22.777 1.00 0.00 C ATOM 399 C CYS A 26 -14.658 4.666 -23.737 1.00 0.00 C ATOM 400 O CYS A 26 -14.931 4.738 -24.933 1.00 0.00 O ATOM 401 CB CYS A 26 -15.411 2.388 -22.915 1.00 0.00 C ATOM 402 SG CYS A 26 -13.667 1.917 -22.623 1.00 0.00 S ATOM 0 H CYS A 26 -17.574 3.570 -23.303 1.00 0.00 H new ATOM 0 HA CYS A 26 -15.299 4.137 -21.749 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -16.058 1.878 -22.202 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -15.720 2.070 -23.911 1.00 0.00 H new ATOM 407 N ALA A 27 -13.592 5.215 -23.175 1.00 0.00 N ATOM 408 CA ALA A 27 -12.635 5.970 -23.965 1.00 0.00 C ATOM 409 C ALA A 27 -11.418 5.092 -24.261 1.00 0.00 C ATOM 410 O ALA A 27 -10.290 5.581 -24.310 1.00 0.00 O ATOM 411 CB ALA A 27 -12.259 7.255 -23.224 1.00 0.00 C ATOM 0 H ALA A 27 -13.370 5.152 -22.182 1.00 0.00 H new ATOM 0 HA ALA A 27 -13.073 6.261 -24.920 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.541 7.821 -23.818 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -13.153 7.858 -23.065 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.815 7.003 -22.261 1.00 0.00 H new ATOM 417 N TYR A 28 -11.687 3.808 -24.449 1.00 0.00 N ATOM 418 CA TYR A 28 -10.629 2.856 -24.739 1.00 0.00 C ATOM 419 C TYR A 28 -10.987 1.986 -25.946 1.00 0.00 C ATOM 420 O TYR A 28 -10.268 1.976 -26.944 1.00 0.00 O ATOM 421 CB TYR A 28 -10.512 1.965 -23.501 1.00 0.00 C ATOM 422 CG TYR A 28 -9.131 1.331 -23.317 1.00 0.00 C ATOM 423 CD1 TYR A 28 -8.072 2.098 -22.878 1.00 0.00 C ATOM 424 CD2 TYR A 28 -8.946 -0.009 -23.592 1.00 0.00 C ATOM 425 CE1 TYR A 28 -6.773 1.501 -22.706 1.00 0.00 C ATOM 426 CE2 TYR A 28 -7.648 -0.606 -23.420 1.00 0.00 C ATOM 427 CZ TYR A 28 -6.625 0.178 -22.985 1.00 0.00 C ATOM 428 OH TYR A 28 -5.398 -0.386 -22.823 1.00 0.00 O ATOM 0 H TYR A 28 -12.623 3.405 -24.406 1.00 0.00 H new ATOM 0 HA TYR A 28 -9.699 3.376 -24.970 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -10.749 2.557 -22.617 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -11.258 1.173 -23.564 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -8.217 3.146 -22.663 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -9.775 -0.609 -23.936 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -5.935 2.090 -22.363 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -7.490 -1.653 -23.632 1.00 0.00 H new ATOM 0 HH TYR A 28 -5.441 -1.336 -23.058 1.00 0.00 H new ATOM 438 N CYS A 29 -12.098 1.277 -25.814 1.00 0.00 N ATOM 439 CA CYS A 29 -12.562 0.407 -26.881 1.00 0.00 C ATOM 440 C CYS A 29 -13.610 1.164 -27.698 1.00 0.00 C ATOM 441 O CYS A 29 -13.761 0.925 -28.896 1.00 0.00 O ATOM 442 CB CYS A 29 -13.108 -0.915 -26.336 1.00 0.00 C ATOM 443 SG CYS A 29 -14.509 -0.593 -25.204 1.00 0.00 S ATOM 0 H CYS A 29 -12.691 1.287 -24.984 1.00 0.00 H new ATOM 0 HA CYS A 29 -11.725 0.140 -27.526 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -13.434 -1.551 -27.159 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -12.320 -1.454 -25.809 1.00 0.00 H new ATOM 448 N LYS A 30 -14.308 2.062 -27.019 1.00 0.00 N ATOM 449 CA LYS A 30 -15.339 2.856 -27.667 1.00 0.00 C ATOM 450 C LYS A 30 -16.702 2.202 -27.433 1.00 0.00 C ATOM 451 O LYS A 30 -17.611 2.345 -28.251 1.00 0.00 O ATOM 452 CB LYS A 30 -15.003 3.067 -29.144 1.00 0.00 C ATOM 453 CG LYS A 30 -15.590 4.382 -29.658 1.00 0.00 C ATOM 454 CD LYS A 30 -14.484 5.341 -30.102 1.00 0.00 C ATOM 455 CE LYS A 30 -14.169 6.361 -29.006 1.00 0.00 C ATOM 456 NZ LYS A 30 -13.285 5.763 -27.981 1.00 0.00 N ATOM 0 H LYS A 30 -14.180 2.258 -26.026 1.00 0.00 H new ATOM 0 HA LYS A 30 -15.384 3.853 -27.229 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -13.921 3.071 -29.277 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -15.394 2.236 -29.732 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -16.260 4.183 -30.494 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -16.187 4.848 -28.875 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -13.585 4.776 -30.347 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -14.791 5.861 -31.010 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -13.689 7.237 -29.443 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -15.094 6.703 -28.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.753 5.802 -27.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.088 4.772 -28.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.392 6.294 -27.941 1.00 0.00 H new ATOM 470 N GLU A 31 -16.803 1.499 -26.316 1.00 0.00 N ATOM 471 CA GLU A 31 -18.040 0.823 -25.965 1.00 0.00 C ATOM 472 C GLU A 31 -18.786 1.607 -24.885 1.00 0.00 C ATOM 473 O GLU A 31 -18.192 2.021 -23.890 1.00 0.00 O ATOM 474 CB GLU A 31 -17.770 -0.614 -25.512 1.00 0.00 C ATOM 475 CG GLU A 31 -18.939 -1.532 -25.873 1.00 0.00 C ATOM 476 CD GLU A 31 -19.064 -2.682 -24.872 1.00 0.00 C ATOM 477 OE1 GLU A 31 -19.113 -2.376 -23.661 1.00 0.00 O ATOM 478 OE2 GLU A 31 -19.108 -3.840 -25.341 1.00 0.00 O ATOM 0 H GLU A 31 -16.047 1.382 -25.641 1.00 0.00 H new ATOM 0 HA GLU A 31 -18.670 0.777 -26.853 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -16.857 -0.981 -25.980 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -17.606 -0.635 -24.435 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -19.865 -0.958 -25.889 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -18.795 -1.933 -26.876 1.00 0.00 H new ATOM 485 N LYS A 32 -20.078 1.790 -25.116 1.00 0.00 N ATOM 486 CA LYS A 32 -20.912 2.517 -24.175 1.00 0.00 C ATOM 487 C LYS A 32 -21.488 1.540 -23.148 1.00 0.00 C ATOM 488 O LYS A 32 -21.976 0.471 -23.511 1.00 0.00 O ATOM 489 CB LYS A 32 -21.976 3.328 -24.917 1.00 0.00 C ATOM 490 CG LYS A 32 -22.897 2.413 -25.726 1.00 0.00 C ATOM 491 CD LYS A 32 -22.652 2.575 -27.227 1.00 0.00 C ATOM 492 CE LYS A 32 -23.219 1.387 -28.006 1.00 0.00 C ATOM 493 NZ LYS A 32 -24.578 1.694 -28.505 1.00 0.00 N ATOM 0 H LYS A 32 -20.568 1.447 -25.942 1.00 0.00 H new ATOM 0 HA LYS A 32 -20.317 3.245 -23.623 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -22.565 3.902 -24.202 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -21.494 4.045 -25.582 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -22.730 1.375 -25.437 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -23.937 2.644 -25.497 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -23.114 3.498 -27.577 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -21.582 2.662 -27.417 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -22.563 1.148 -28.843 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -23.251 0.506 -27.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -24.947 0.877 -29.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -25.205 1.900 -27.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -24.538 2.521 -29.134 1.00 0.00 H new ATOM 507 N GLY A 33 -21.413 1.942 -21.889 1.00 0.00 N ATOM 508 CA GLY A 33 -21.922 1.116 -20.808 1.00 0.00 C ATOM 509 C GLY A 33 -20.900 1.008 -19.673 1.00 0.00 C ATOM 510 O GLY A 33 -21.267 1.036 -18.499 1.00 0.00 O ATOM 0 H GLY A 33 -21.007 2.830 -21.593 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -22.851 1.541 -20.427 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -22.158 0.121 -21.186 1.00 0.00 H new ATOM 514 N HIS A 34 -19.640 0.888 -20.062 1.00 0.00 N ATOM 515 CA HIS A 34 -18.564 0.776 -19.092 1.00 0.00 C ATOM 516 C HIS A 34 -17.554 1.903 -19.316 1.00 0.00 C ATOM 517 O HIS A 34 -17.505 2.495 -20.393 1.00 0.00 O ATOM 518 CB HIS A 34 -17.925 -0.613 -19.148 1.00 0.00 C ATOM 519 CG HIS A 34 -17.094 -0.858 -20.384 1.00 0.00 C ATOM 520 ND1 HIS A 34 -17.586 -1.509 -21.502 1.00 0.00 N ATOM 521 CD2 HIS A 34 -15.800 -0.531 -20.667 1.00 0.00 C ATOM 522 CE1 HIS A 34 -16.623 -1.568 -22.410 1.00 0.00 C ATOM 523 NE2 HIS A 34 -15.517 -0.961 -21.890 1.00 0.00 N ATOM 0 H HIS A 34 -19.339 0.866 -21.036 1.00 0.00 H new ATOM 0 HA HIS A 34 -18.964 0.888 -18.084 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -17.297 -0.748 -18.268 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -18.712 -1.366 -19.097 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -18.530 -1.880 -21.609 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -15.121 -0.011 -20.008 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -16.700 -2.017 -23.389 1.00 0.00 H new ATOM 531 N TRP A 35 -16.770 2.167 -18.279 1.00 0.00 N ATOM 532 CA TRP A 35 -15.764 3.212 -18.349 1.00 0.00 C ATOM 533 C TRP A 35 -14.434 2.562 -18.736 1.00 0.00 C ATOM 534 O TRP A 35 -14.266 1.352 -18.596 1.00 0.00 O ATOM 535 CB TRP A 35 -15.689 3.988 -17.032 1.00 0.00 C ATOM 536 CG TRP A 35 -16.599 5.217 -16.982 1.00 0.00 C ATOM 537 CD1 TRP A 35 -17.842 5.343 -17.466 1.00 0.00 C ATOM 538 CD2 TRP A 35 -16.285 6.496 -16.391 1.00 0.00 C ATOM 539 NE1 TRP A 35 -18.349 6.605 -17.232 1.00 0.00 N ATOM 540 CE2 TRP A 35 -17.373 7.328 -16.557 1.00 0.00 C ATOM 541 CE3 TRP A 35 -15.120 6.934 -15.736 1.00 0.00 C ATOM 542 CZ2 TRP A 35 -17.404 8.650 -16.097 1.00 0.00 C ATOM 543 CZ3 TRP A 35 -15.167 8.258 -15.284 1.00 0.00 C ATOM 544 CH2 TRP A 35 -16.255 9.109 -15.443 1.00 0.00 C ATOM 0 H TRP A 35 -16.812 1.675 -17.387 1.00 0.00 H new ATOM 0 HA TRP A 35 -16.025 3.950 -19.108 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -15.953 3.319 -16.213 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -14.659 4.304 -16.866 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -18.379 4.556 -17.975 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -19.271 6.945 -17.505 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -14.258 6.299 -15.593 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -18.268 9.282 -16.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -14.297 8.646 -14.776 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -16.214 10.119 -15.064 1.00 0.00 H new ATOM 555 N ALA A 36 -13.523 3.396 -19.217 1.00 0.00 N ATOM 556 CA ALA A 36 -12.214 2.918 -19.627 1.00 0.00 C ATOM 557 C ALA A 36 -11.523 2.252 -18.435 1.00 0.00 C ATOM 558 O ALA A 36 -10.800 1.271 -18.600 1.00 0.00 O ATOM 559 CB ALA A 36 -11.400 4.082 -20.196 1.00 0.00 C ATOM 0 H ALA A 36 -13.666 4.399 -19.332 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.308 2.170 -20.414 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.418 3.723 -20.504 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.919 4.502 -21.058 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.283 4.851 -19.433 1.00 0.00 H new ATOM 565 N LYS A 37 -11.770 2.812 -17.260 1.00 0.00 N ATOM 566 CA LYS A 37 -11.181 2.285 -16.041 1.00 0.00 C ATOM 567 C LYS A 37 -11.731 0.881 -15.780 1.00 0.00 C ATOM 568 O LYS A 37 -11.214 0.156 -14.931 1.00 0.00 O ATOM 569 CB LYS A 37 -11.396 3.256 -14.878 1.00 0.00 C ATOM 570 CG LYS A 37 -10.223 4.231 -14.754 1.00 0.00 C ATOM 571 CD LYS A 37 -10.573 5.590 -15.362 1.00 0.00 C ATOM 572 CE LYS A 37 -9.486 6.053 -16.334 1.00 0.00 C ATOM 573 NZ LYS A 37 -9.920 5.849 -17.734 1.00 0.00 N ATOM 0 H LYS A 37 -12.370 3.626 -17.126 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.101 2.190 -16.150 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.321 3.812 -15.030 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.509 2.697 -13.949 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.959 4.356 -13.704 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.348 3.818 -15.256 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.528 5.524 -15.884 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.694 6.327 -14.568 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.265 7.107 -16.166 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.565 5.500 -16.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.507 6.589 -18.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.601 4.916 -18.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.957 5.899 -17.787 1.00 0.00 H new ATOM 587 N ASP A 38 -12.772 0.540 -16.524 1.00 0.00 N ATOM 588 CA ASP A 38 -13.398 -0.764 -16.383 1.00 0.00 C ATOM 589 C ASP A 38 -13.530 -1.413 -17.763 1.00 0.00 C ATOM 590 O ASP A 38 -14.442 -2.204 -17.996 1.00 0.00 O ATOM 591 CB ASP A 38 -14.799 -0.640 -15.783 1.00 0.00 C ATOM 592 CG ASP A 38 -15.188 -1.758 -14.814 1.00 0.00 C ATOM 593 OD1 ASP A 38 -14.279 -2.232 -14.098 1.00 0.00 O ATOM 594 OD2 ASP A 38 -16.387 -2.115 -14.811 1.00 0.00 O ATOM 0 H ASP A 38 -13.198 1.144 -17.227 1.00 0.00 H new ATOM 0 HA ASP A 38 -12.775 -1.368 -15.723 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -14.871 0.314 -15.261 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -15.525 -0.615 -16.596 1.00 0.00 H new ATOM 599 N CYS A 39 -12.606 -1.053 -18.642 1.00 0.00 N ATOM 600 CA CYS A 39 -12.608 -1.590 -19.992 1.00 0.00 C ATOM 601 C CYS A 39 -12.196 -3.063 -19.924 1.00 0.00 C ATOM 602 O CYS A 39 -11.207 -3.405 -19.278 1.00 0.00 O ATOM 603 CB CYS A 39 -11.698 -0.786 -20.922 1.00 0.00 C ATOM 604 SG CYS A 39 -11.911 -1.351 -22.650 1.00 0.00 S ATOM 0 H CYS A 39 -11.851 -0.396 -18.445 1.00 0.00 H new ATOM 0 HA CYS A 39 -13.610 -1.513 -20.415 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -11.934 0.276 -20.846 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -10.658 -0.904 -20.618 1.00 0.00 H new ATOM 609 N PRO A 40 -12.998 -3.916 -20.616 1.00 0.00 N ATOM 610 CA PRO A 40 -12.727 -5.343 -20.640 1.00 0.00 C ATOM 611 C PRO A 40 -11.542 -5.661 -21.553 1.00 0.00 C ATOM 612 O PRO A 40 -11.168 -6.822 -21.710 1.00 0.00 O ATOM 613 CB PRO A 40 -14.025 -5.982 -21.108 1.00 0.00 C ATOM 614 CG PRO A 40 -14.822 -4.869 -21.770 1.00 0.00 C ATOM 615 CD PRO A 40 -14.178 -3.545 -21.391 1.00 0.00 C ATOM 0 HA PRO A 40 -12.436 -5.732 -19.664 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -13.830 -6.793 -21.809 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -14.574 -6.410 -20.269 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -14.827 -4.995 -22.853 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -15.861 -4.896 -21.441 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -13.906 -2.969 -22.276 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -14.858 -2.927 -20.805 1.00 0.00 H new ATOM 623 N LYS A 41 -10.983 -4.608 -22.132 1.00 0.00 N ATOM 624 CA LYS A 41 -9.847 -4.761 -23.025 1.00 0.00 C ATOM 625 C LYS A 41 -8.553 -4.543 -22.240 1.00 0.00 C ATOM 626 O LYS A 41 -7.478 -4.946 -22.682 1.00 0.00 O ATOM 627 CB LYS A 41 -9.992 -3.840 -24.238 1.00 0.00 C ATOM 628 CG LYS A 41 -8.793 -3.978 -25.179 1.00 0.00 C ATOM 629 CD LYS A 41 -9.103 -3.384 -26.554 1.00 0.00 C ATOM 630 CE LYS A 41 -7.982 -3.691 -27.549 1.00 0.00 C ATOM 631 NZ LYS A 41 -8.221 -4.990 -28.217 1.00 0.00 N ATOM 0 H LYS A 41 -11.296 -3.646 -22.000 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.811 -5.774 -23.425 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.909 -4.082 -24.775 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.080 -2.806 -23.905 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.928 -3.474 -24.748 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.529 -5.030 -25.285 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.045 -3.789 -26.925 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.232 -2.305 -26.467 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.922 -2.898 -28.294 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.024 -3.713 -27.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.450 -5.182 -28.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.255 -5.746 -27.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.126 -4.956 -28.729 1.00 0.00 H new ATOM 645 N LYS A 42 -8.698 -3.906 -21.087 1.00 0.00 N ATOM 646 CA LYS A 42 -7.553 -3.629 -20.235 1.00 0.00 C ATOM 647 C LYS A 42 -6.926 -4.951 -19.787 1.00 0.00 C ATOM 648 O LYS A 42 -7.526 -5.698 -19.015 1.00 0.00 O ATOM 649 CB LYS A 42 -7.957 -2.716 -19.076 1.00 0.00 C ATOM 650 CG LYS A 42 -8.136 -1.273 -19.551 1.00 0.00 C ATOM 651 CD LYS A 42 -6.898 -0.432 -19.230 1.00 0.00 C ATOM 652 CE LYS A 42 -7.261 0.760 -18.342 1.00 0.00 C ATOM 653 NZ LYS A 42 -8.096 1.727 -19.088 1.00 0.00 N ATOM 0 H LYS A 42 -9.591 -3.574 -20.723 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.788 -3.084 -20.788 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.886 -3.075 -18.633 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.196 -2.754 -18.296 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.320 -1.260 -20.625 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -9.012 -0.835 -19.072 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.154 -1.051 -18.728 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.445 -0.076 -20.156 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.797 0.413 -17.459 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.353 1.250 -17.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.719 2.687 -18.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.084 1.488 -20.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.073 1.687 -18.735 1.00 0.00 H new ATOM 667 N PRO A 43 -5.694 -5.207 -20.304 1.00 0.00 N ATOM 668 CA PRO A 43 -4.979 -6.425 -19.965 1.00 0.00 C ATOM 669 C PRO A 43 -4.406 -6.349 -18.548 1.00 0.00 C ATOM 670 O PRO A 43 -3.900 -5.307 -18.134 1.00 0.00 O ATOM 671 CB PRO A 43 -3.905 -6.561 -21.032 1.00 0.00 C ATOM 672 CG PRO A 43 -3.760 -5.181 -21.654 1.00 0.00 C ATOM 673 CD PRO A 43 -4.953 -4.345 -21.221 1.00 0.00 C ATOM 0 HA PRO A 43 -5.626 -7.302 -19.955 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -2.963 -6.895 -20.598 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.190 -7.299 -21.781 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -2.830 -4.713 -21.332 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.720 -5.255 -22.741 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -4.635 -3.425 -20.731 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -5.565 -4.056 -22.075 1.00 0.00 H new ATOM 681 N ARG A 44 -4.507 -7.466 -17.843 1.00 0.00 N ATOM 682 CA ARG A 44 -4.006 -7.539 -16.481 1.00 0.00 C ATOM 683 C ARG A 44 -2.890 -8.580 -16.381 1.00 0.00 C ATOM 684 O ARG A 44 -2.963 -9.498 -15.566 1.00 0.00 O ATOM 685 CB ARG A 44 -5.123 -7.905 -15.501 1.00 0.00 C ATOM 686 CG ARG A 44 -5.672 -9.304 -15.793 1.00 0.00 C ATOM 687 CD ARG A 44 -5.707 -10.154 -14.523 1.00 0.00 C ATOM 688 NE ARG A 44 -5.741 -11.592 -14.876 1.00 0.00 N ATOM 689 CZ ARG A 44 -6.863 -12.271 -15.148 1.00 0.00 C ATOM 690 NH1 ARG A 44 -8.050 -11.651 -15.109 1.00 0.00 N ATOM 691 NH2 ARG A 44 -6.798 -13.573 -15.461 1.00 0.00 N ATOM 0 H ARG A 44 -4.928 -8.328 -18.189 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.616 -6.556 -16.219 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.743 -7.865 -14.480 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.927 -7.173 -15.571 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.676 -9.225 -16.210 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.052 -9.792 -16.545 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.831 -9.942 -13.910 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -6.583 -9.897 -13.927 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.855 -12.096 -14.914 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -8.100 -10.660 -14.872 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -8.903 -12.170 -15.316 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.895 -14.046 -15.492 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -7.652 -14.091 -15.668 1.00 0.00 H new ATOM 705 N GLY A 45 -1.882 -8.401 -17.222 1.00 0.00 N ATOM 706 CA GLY A 45 -0.750 -9.313 -17.239 1.00 0.00 C ATOM 707 C GLY A 45 -0.807 -10.234 -18.460 1.00 0.00 C ATOM 708 O GLY A 45 -1.761 -10.187 -19.234 1.00 0.00 O ATOM 0 H GLY A 45 -1.825 -7.638 -17.897 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.180 -8.744 -17.251 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.746 -9.911 -16.328 1.00 0.00 H new ATOM 712 N PRO A 46 0.256 -11.072 -18.598 1.00 0.00 N ATOM 713 CA PRO A 46 1.344 -11.064 -17.635 1.00 0.00 C ATOM 714 C PRO A 46 2.241 -9.840 -17.831 1.00 0.00 C ATOM 715 O PRO A 46 2.341 -9.310 -18.937 1.00 0.00 O ATOM 716 CB PRO A 46 2.077 -12.377 -17.859 1.00 0.00 C ATOM 717 CG PRO A 46 1.658 -12.858 -19.239 1.00 0.00 C ATOM 718 CD PRO A 46 0.447 -12.045 -19.668 1.00 0.00 C ATOM 0 HA PRO A 46 0.993 -10.988 -16.606 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.156 -12.236 -17.806 1.00 0.00 H new ATOM 0 HB3 PRO A 46 1.813 -13.107 -17.094 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.474 -12.733 -19.951 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.416 -13.920 -19.216 1.00 0.00 H new ATOM 0 HD2 PRO A 46 0.620 -11.552 -20.625 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.432 -12.678 -19.789 1.00 0.00 H new ATOM 726 N ARG A 47 2.869 -9.425 -16.741 1.00 0.00 N ATOM 727 CA ARG A 47 3.754 -8.273 -16.780 1.00 0.00 C ATOM 728 C ARG A 47 4.639 -8.324 -18.026 1.00 0.00 C ATOM 729 O ARG A 47 5.032 -9.402 -18.468 1.00 0.00 O ATOM 730 CB ARG A 47 4.641 -8.218 -15.534 1.00 0.00 C ATOM 731 CG ARG A 47 4.175 -7.120 -14.577 1.00 0.00 C ATOM 732 CD ARG A 47 4.986 -7.144 -13.279 1.00 0.00 C ATOM 733 NE ARG A 47 4.225 -7.845 -12.220 1.00 0.00 N ATOM 734 CZ ARG A 47 4.784 -8.394 -11.133 1.00 0.00 C ATOM 735 NH1 ARG A 47 6.111 -8.327 -10.955 1.00 0.00 N ATOM 736 NH2 ARG A 47 4.017 -9.010 -10.224 1.00 0.00 N ATOM 0 H ARG A 47 2.783 -9.866 -15.825 1.00 0.00 H new ATOM 0 HA ARG A 47 3.132 -7.378 -16.810 1.00 0.00 H new ATOM 0 HB2 ARG A 47 4.620 -9.182 -15.025 1.00 0.00 H new ATOM 0 HB3 ARG A 47 5.675 -8.035 -15.827 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.278 -6.147 -15.057 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.117 -7.254 -14.352 1.00 0.00 H new ATOM 0 HD2 ARG A 47 5.940 -7.645 -13.445 1.00 0.00 H new ATOM 0 HD3 ARG A 47 5.212 -6.126 -12.963 1.00 0.00 H new ATOM 0 HE ARG A 47 3.213 -7.914 -12.324 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.695 -7.858 -11.647 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.536 -8.745 -10.127 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.007 -9.061 -10.359 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.443 -9.428 -9.397 1.00 0.00 H new ATOM 750 N GLY A 48 4.925 -7.146 -18.558 1.00 0.00 N ATOM 751 CA GLY A 48 5.757 -7.042 -19.746 1.00 0.00 C ATOM 752 C GLY A 48 5.127 -6.102 -20.775 1.00 0.00 C ATOM 753 O GLY A 48 4.353 -6.535 -21.627 1.00 0.00 O ATOM 0 H GLY A 48 4.596 -6.254 -18.189 1.00 0.00 H new ATOM 0 HA2 GLY A 48 6.746 -6.676 -19.471 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.894 -8.030 -20.186 1.00 0.00 H new ATOM 757 N PRO A 49 5.494 -4.797 -20.661 1.00 0.00 N ATOM 758 CA PRO A 49 4.975 -3.790 -21.572 1.00 0.00 C ATOM 759 C PRO A 49 5.644 -3.895 -22.944 1.00 0.00 C ATOM 760 O PRO A 49 6.794 -3.490 -23.109 1.00 0.00 O ATOM 761 CB PRO A 49 5.237 -2.462 -20.881 1.00 0.00 C ATOM 762 CG PRO A 49 6.304 -2.740 -19.835 1.00 0.00 C ATOM 763 CD PRO A 49 6.410 -4.247 -19.666 1.00 0.00 C ATOM 0 HA PRO A 49 3.911 -3.914 -21.775 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.576 -1.711 -21.594 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.328 -2.076 -20.419 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.262 -2.323 -20.146 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.043 -2.267 -18.888 1.00 0.00 H new ATOM 0 HD2 PRO A 49 7.430 -4.593 -19.833 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.130 -4.553 -18.658 1.00 0.00 H new ATOM 771 N ARG A 50 4.897 -4.440 -23.892 1.00 0.00 N ATOM 772 CA ARG A 50 5.403 -4.601 -25.243 1.00 0.00 C ATOM 773 C ARG A 50 4.382 -4.085 -26.260 1.00 0.00 C ATOM 774 O ARG A 50 3.512 -4.832 -26.705 1.00 0.00 O ATOM 775 CB ARG A 50 5.713 -6.070 -25.543 1.00 0.00 C ATOM 776 CG ARG A 50 7.218 -6.292 -25.697 1.00 0.00 C ATOM 777 CD ARG A 50 7.622 -7.681 -25.198 1.00 0.00 C ATOM 778 NE ARG A 50 7.084 -8.720 -26.104 1.00 0.00 N ATOM 779 CZ ARG A 50 6.905 -10.002 -25.755 1.00 0.00 C ATOM 780 NH1 ARG A 50 7.222 -10.410 -24.518 1.00 0.00 N ATOM 781 NH2 ARG A 50 6.411 -10.875 -26.642 1.00 0.00 N ATOM 0 H ARG A 50 3.944 -4.776 -23.751 1.00 0.00 H new ATOM 0 HA ARG A 50 6.323 -4.022 -25.323 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.330 -6.698 -24.739 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.202 -6.374 -26.456 1.00 0.00 H new ATOM 0 HG2 ARG A 50 7.500 -6.182 -26.744 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.761 -5.529 -25.139 1.00 0.00 H new ATOM 0 HD2 ARG A 50 8.708 -7.757 -25.148 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.245 -7.837 -24.187 1.00 0.00 H new ATOM 0 HE ARG A 50 6.834 -8.444 -27.053 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.599 -9.745 -23.843 1.00 0.00 H new ATOM 0 HH12 ARG A 50 7.086 -11.385 -24.252 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.171 -10.565 -27.583 1.00 0.00 H new ATOM 0 HH22 ARG A 50 6.275 -11.850 -26.376 1.00 0.00 H new ATOM 795 N PRO A 51 4.524 -2.777 -26.605 1.00 0.00 N ATOM 796 CA PRO A 51 3.625 -2.152 -27.559 1.00 0.00 C ATOM 797 C PRO A 51 3.944 -2.600 -28.987 1.00 0.00 C ATOM 798 O PRO A 51 3.040 -2.926 -29.755 1.00 0.00 O ATOM 799 CB PRO A 51 3.806 -0.658 -27.350 1.00 0.00 C ATOM 800 CG PRO A 51 5.129 -0.496 -26.620 1.00 0.00 C ATOM 801 CD PRO A 51 5.543 -1.862 -26.096 1.00 0.00 C ATOM 0 HA PRO A 51 2.584 -2.438 -27.407 1.00 0.00 H new ATOM 0 HB2 PRO A 51 3.819 -0.129 -28.303 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.984 -0.243 -26.766 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.890 -0.098 -27.292 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.027 0.213 -25.799 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.536 -2.138 -26.450 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.578 -1.875 -25.007 1.00 0.00 H new ATOM 809 N GLN A 52 5.231 -2.601 -29.299 1.00 0.00 N ATOM 810 CA GLN A 52 5.680 -3.003 -30.621 1.00 0.00 C ATOM 811 C GLN A 52 5.160 -2.026 -31.678 1.00 0.00 C ATOM 812 O GLN A 52 4.182 -1.318 -31.446 1.00 0.00 O ATOM 813 CB GLN A 52 5.244 -4.435 -30.937 1.00 0.00 C ATOM 814 CG GLN A 52 6.451 -5.375 -30.996 1.00 0.00 C ATOM 815 CD GLN A 52 6.585 -6.178 -29.701 1.00 0.00 C ATOM 816 OE1 GLN A 52 5.680 -6.248 -28.887 1.00 0.00 O ATOM 817 NE2 GLN A 52 7.764 -6.776 -29.555 1.00 0.00 N ATOM 0 H GLN A 52 5.978 -2.330 -28.659 1.00 0.00 H new ATOM 0 HA GLN A 52 6.770 -2.979 -30.636 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.545 -4.782 -30.176 1.00 0.00 H new ATOM 0 HB3 GLN A 52 4.715 -4.456 -31.890 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.345 -6.056 -31.841 1.00 0.00 H new ATOM 0 HG3 GLN A 52 7.359 -4.796 -31.165 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.479 -6.676 -30.276 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.953 -7.334 -28.722 1.00 0.00 H new ATOM 826 N THR A 53 5.838 -2.019 -32.817 1.00 0.00 N ATOM 827 CA THR A 53 5.456 -1.142 -33.910 1.00 0.00 C ATOM 828 C THR A 53 4.502 -1.862 -34.863 1.00 0.00 C ATOM 829 O THR A 53 4.892 -2.813 -35.537 1.00 0.00 O ATOM 830 CB THR A 53 6.736 -0.649 -34.588 1.00 0.00 C ATOM 831 OG1 THR A 53 7.445 -1.844 -34.902 1.00 0.00 O ATOM 832 CG2 THR A 53 7.663 0.093 -33.623 1.00 0.00 C ATOM 0 H THR A 53 6.650 -2.607 -33.006 1.00 0.00 H new ATOM 0 HA THR A 53 4.907 -0.273 -33.547 1.00 0.00 H new ATOM 0 HB THR A 53 6.476 0.008 -35.418 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.813 -2.529 -35.206 1.00 0.00 H new ATOM 0 HG21 THR A 53 8.556 0.421 -34.156 1.00 0.00 H new ATOM 0 HG22 THR A 53 7.144 0.961 -33.215 1.00 0.00 H new ATOM 0 HG23 THR A 53 7.950 -0.573 -32.810 1.00 0.00 H new ATOM 840 N SER A 54 3.268 -1.380 -34.890 1.00 0.00 N ATOM 841 CA SER A 54 2.253 -1.966 -35.749 1.00 0.00 C ATOM 842 C SER A 54 1.812 -0.950 -36.805 1.00 0.00 C ATOM 843 O SER A 54 1.497 0.193 -36.478 1.00 0.00 O ATOM 844 CB SER A 54 1.049 -2.442 -34.936 1.00 0.00 C ATOM 845 OG SER A 54 1.243 -3.753 -34.412 1.00 0.00 O ATOM 0 H SER A 54 2.948 -0.590 -34.330 1.00 0.00 H new ATOM 0 HA SER A 54 2.686 -2.834 -36.246 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.868 -1.747 -34.116 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.159 -2.431 -35.566 1.00 0.00 H new ATOM 0 HG SER A 54 0.453 -4.020 -33.898 1.00 0.00 H new ATOM 851 N LEU A 55 1.803 -1.404 -38.050 1.00 0.00 N ATOM 852 CA LEU A 55 1.406 -0.549 -39.155 1.00 0.00 C ATOM 853 C LEU A 55 0.543 -1.353 -40.131 1.00 0.00 C ATOM 854 O LEU A 55 -0.636 -1.052 -40.316 1.00 0.00 O ATOM 855 CB LEU A 55 2.633 0.092 -39.805 1.00 0.00 C ATOM 856 CG LEU A 55 3.180 1.344 -39.115 1.00 0.00 C ATOM 857 CD1 LEU A 55 4.386 1.004 -38.237 1.00 0.00 C ATOM 858 CD2 LEU A 55 3.505 2.436 -40.136 1.00 0.00 C ATOM 0 H LEU A 55 2.064 -2.353 -38.317 1.00 0.00 H new ATOM 0 HA LEU A 55 0.796 0.279 -38.795 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.428 -0.652 -39.847 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.382 0.349 -40.834 1.00 0.00 H new ATOM 0 HG LEU A 55 2.404 1.738 -38.458 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.755 1.911 -37.759 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.089 0.286 -37.473 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.175 0.572 -38.853 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.892 3.314 -39.619 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.255 2.068 -40.836 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.600 2.705 -40.681 1.00 0.00 H new ATOM 870 N LEU A 56 1.163 -2.358 -40.731 1.00 0.00 N ATOM 871 CA LEU A 56 0.468 -3.206 -41.682 1.00 0.00 C ATOM 872 C LEU A 56 0.038 -2.368 -42.887 1.00 0.00 C ATOM 873 O LEU A 56 0.653 -1.345 -43.188 1.00 0.00 O ATOM 874 CB LEU A 56 -0.689 -3.940 -41.000 1.00 0.00 C ATOM 875 CG LEU A 56 -0.759 -5.450 -41.238 1.00 0.00 C ATOM 876 CD1 LEU A 56 0.016 -6.211 -40.160 1.00 0.00 C ATOM 877 CD2 LEU A 56 -2.210 -5.922 -41.341 1.00 0.00 C ATOM 0 H LEU A 56 2.141 -2.604 -40.576 1.00 0.00 H new ATOM 0 HA LEU A 56 1.134 -3.984 -42.055 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.622 -3.764 -39.926 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.625 -3.495 -41.338 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.281 -5.668 -42.193 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.050 -7.282 -40.352 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.061 -5.903 -40.177 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.411 -5.991 -39.181 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.231 -6.999 -41.510 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.735 -5.690 -40.414 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.700 -5.414 -42.172 1.00 0.00 H new TER 889 LEU A 56 ATOM 890 P U B 517 -3.192 -1.656 -29.887 1.00 0.00 P ATOM 891 OP1 U B 517 -3.582 -0.778 -28.761 1.00 0.00 O ATOM 892 OP2 U B 517 -4.006 -2.870 -30.119 1.00 0.00 O ATOM 893 O5' U B 517 -3.217 -0.781 -31.226 1.00 0.00 O ATOM 894 C5' U B 517 -2.944 0.617 -31.170 1.00 0.00 C ATOM 895 C4' U B 517 -4.153 1.402 -31.629 1.00 0.00 C ATOM 896 O4' U B 517 -5.101 0.425 -32.098 1.00 0.00 O ATOM 897 C3' U B 517 -5.094 1.825 -30.505 1.00 0.00 C ATOM 898 O3' U B 517 -4.606 3.022 -29.903 1.00 0.00 O ATOM 899 C2' U B 517 -6.427 2.042 -31.164 1.00 0.00 C ATOM 900 O2' U B 517 -6.313 3.353 -31.671 1.00 0.00 O ATOM 901 C1' U B 517 -6.412 0.930 -32.209 1.00 0.00 C ATOM 902 N1 U B 517 -7.415 -0.127 -31.960 1.00 0.00 N ATOM 903 C2 U B 517 -8.688 0.145 -32.357 1.00 0.00 C ATOM 904 O2 U B 517 -9.023 1.189 -32.892 1.00 0.00 O ATOM 905 N3 U B 517 -9.624 -0.839 -32.126 1.00 0.00 N ATOM 906 C4 U B 517 -9.332 -2.040 -31.531 1.00 0.00 C ATOM 907 O4 U B 517 -10.248 -2.846 -31.375 1.00 0.00 O ATOM 908 C5 U B 517 -7.988 -2.272 -31.136 1.00 0.00 C ATOM 909 C6 U B 517 -7.097 -1.306 -31.369 1.00 0.00 C ATOM 0 H5' U B 517 -2.087 0.853 -31.800 1.00 0.00 H new ATOM 0 H5'' U B 517 -2.680 0.903 -30.152 1.00 0.00 H new ATOM 0 H4' U B 517 -3.741 2.199 -32.248 1.00 0.00 H new ATOM 0 H3' U B 517 -5.170 1.081 -29.712 1.00 0.00 H new ATOM 0 H2' U B 517 -7.352 1.988 -30.591 1.00 0.00 H new ATOM 0 HO2' U B 517 -6.520 3.997 -30.962 1.00 0.00 H new ATOM 0 H1' U B 517 -6.670 1.297 -33.202 1.00 0.00 H new ATOM 0 H3 U B 517 -10.587 -0.665 -32.413 1.00 0.00 H new ATOM 0 H5 U B 517 -7.697 -3.198 -30.663 1.00 0.00 H new ATOM 0 H6 U B 517 -6.072 -1.471 -31.072 1.00 0.00 H new ATOM 920 P U B 518 -3.946 2.974 -28.446 1.00 0.00 P ATOM 921 OP1 U B 518 -2.477 3.105 -28.560 1.00 0.00 O ATOM 922 OP2 U B 518 -4.472 1.811 -27.699 1.00 0.00 O ATOM 923 O5' U B 518 -4.509 4.302 -27.753 1.00 0.00 O ATOM 924 C5' U B 518 -4.972 5.385 -28.557 1.00 0.00 C ATOM 925 C4' U B 518 -6.477 5.491 -28.469 1.00 0.00 C ATOM 926 O4' U B 518 -7.076 4.338 -29.136 1.00 0.00 O ATOM 927 C3' U B 518 -7.064 5.043 -27.133 1.00 0.00 C ATOM 928 O3' U B 518 -6.900 6.084 -26.172 1.00 0.00 O ATOM 929 C2' U B 518 -8.517 4.771 -27.409 1.00 0.00 C ATOM 930 O2' U B 518 -9.087 6.059 -27.364 1.00 0.00 O ATOM 931 C1' U B 518 -8.430 4.141 -28.796 1.00 0.00 C ATOM 932 N1 U B 518 -8.781 2.705 -28.814 1.00 0.00 N ATOM 933 C2 U B 518 -9.929 2.373 -29.465 1.00 0.00 C ATOM 934 O2 U B 518 -10.655 3.187 -30.016 1.00 0.00 O ATOM 935 N3 U B 518 -10.258 1.037 -29.484 1.00 0.00 N ATOM 936 C4 U B 518 -9.499 0.060 -28.890 1.00 0.00 C ATOM 937 O4 U B 518 -9.890 -1.104 -28.969 1.00 0.00 O ATOM 938 C5 U B 518 -8.311 0.460 -28.223 1.00 0.00 C ATOM 939 C6 U B 518 -8.011 1.761 -28.218 1.00 0.00 C ATOM 0 H5' U B 518 -4.670 5.234 -29.593 1.00 0.00 H new ATOM 0 H5'' U B 518 -4.514 6.317 -28.225 1.00 0.00 H new ATOM 0 H4' U B 518 -6.656 6.517 -28.790 1.00 0.00 H new ATOM 0 H3' U B 518 -6.574 4.158 -26.728 1.00 0.00 H new ATOM 0 H2' U B 518 -9.102 4.126 -26.753 1.00 0.00 H new ATOM 0 HO2' U B 518 -8.558 6.630 -26.769 1.00 0.00 H new ATOM 0 H1' U B 518 -9.139 4.587 -29.494 1.00 0.00 H new ATOM 0 H3 U B 518 -11.113 0.758 -29.966 1.00 0.00 H new ATOM 0 H5 U B 518 -7.673 -0.263 -27.737 1.00 0.00 H new ATOM 0 H6 U B 518 -7.110 2.078 -27.714 1.00 0.00 H new ATOM 950 P U B 519 -5.728 5.991 -25.087 1.00 0.00 P ATOM 951 OP1 U B 519 -4.548 6.747 -25.562 1.00 0.00 O ATOM 952 OP2 U B 519 -5.521 4.580 -24.694 1.00 0.00 O ATOM 953 O5' U B 519 -6.339 6.770 -23.830 1.00 0.00 O ATOM 954 C5' U B 519 -7.723 7.114 -23.808 1.00 0.00 C ATOM 955 C4' U B 519 -8.297 6.874 -22.430 1.00 0.00 C ATOM 956 O4' U B 519 -8.052 5.484 -22.053 1.00 0.00 O ATOM 957 C3' U B 519 -7.470 7.466 -21.292 1.00 0.00 C ATOM 958 O3' U B 519 -7.834 8.830 -21.100 1.00 0.00 O ATOM 959 C2' U B 519 -7.799 6.631 -20.085 1.00 0.00 C ATOM 960 O2' U B 519 -9.074 7.109 -19.717 1.00 0.00 O ATOM 961 C1' U B 519 -7.776 5.232 -20.693 1.00 0.00 C ATOM 962 N1 U B 519 -6.480 4.541 -20.530 1.00 0.00 N ATOM 963 C2 U B 519 -6.162 4.142 -19.268 1.00 0.00 C ATOM 964 O2 U B 519 -6.881 4.327 -18.298 1.00 0.00 O ATOM 965 N3 U B 519 -4.955 3.498 -19.114 1.00 0.00 N ATOM 966 C4 U B 519 -4.089 3.251 -20.150 1.00 0.00 C ATOM 967 O4 U B 519 -3.037 2.667 -19.896 1.00 0.00 O ATOM 968 C5 U B 519 -4.469 3.688 -21.447 1.00 0.00 C ATOM 969 C6 U B 519 -5.643 4.309 -21.573 1.00 0.00 C ATOM 0 H5' U B 519 -8.265 6.520 -24.544 1.00 0.00 H new ATOM 0 H5'' U B 519 -7.850 8.160 -24.086 1.00 0.00 H new ATOM 0 H4' U B 519 -9.316 7.253 -22.516 1.00 0.00 H new ATOM 0 H3' U B 519 -6.399 7.451 -21.494 1.00 0.00 H new ATOM 0 H2' U B 519 -7.166 6.653 -19.198 1.00 0.00 H new ATOM 0 HO2' U B 519 -9.189 8.024 -20.049 1.00 0.00 H new ATOM 0 H1' U B 519 -8.486 4.563 -20.208 1.00 0.00 H new ATOM 0 H3 U B 519 -4.690 3.188 -18.179 1.00 0.00 H new ATOM 0 H5 U B 519 -3.830 3.523 -22.302 1.00 0.00 H new ATOM 0 H6 U B 519 -5.943 4.644 -22.555 1.00 0.00 H new ATOM 980 P U B 520 -7.059 9.722 -20.020 1.00 0.00 P ATOM 981 OP1 U B 520 -5.886 8.978 -19.510 1.00 0.00 O ATOM 982 OP2 U B 520 -8.020 10.248 -19.025 1.00 0.00 O ATOM 983 O5' U B 520 -6.523 10.954 -20.890 1.00 0.00 O ATOM 984 C5' U B 520 -5.756 11.984 -20.269 1.00 0.00 C ATOM 985 C4' U B 520 -6.109 13.327 -20.869 1.00 0.00 C ATOM 986 O4' U B 520 -6.513 13.001 -22.212 1.00 0.00 O ATOM 987 C3' U B 520 -7.508 13.824 -20.521 1.00 0.00 C ATOM 988 O3' U B 520 -7.468 14.518 -19.275 1.00 0.00 O ATOM 989 C2' U B 520 -7.896 14.739 -21.650 1.00 0.00 C ATOM 990 O2' U B 520 -7.257 15.947 -21.303 1.00 0.00 O ATOM 991 C1' U B 520 -7.293 13.995 -22.837 1.00 0.00 C ATOM 992 N1 U B 520 -8.305 13.396 -23.732 1.00 0.00 N ATOM 993 C2 U B 520 -8.639 14.119 -24.836 1.00 0.00 C ATOM 994 O2 U B 520 -8.152 15.206 -25.106 1.00 0.00 O ATOM 995 N3 U B 520 -9.581 13.562 -25.671 1.00 0.00 N ATOM 996 C4 U B 520 -10.176 12.347 -25.441 1.00 0.00 C ATOM 997 O4 U B 520 -11.006 11.947 -26.256 1.00 0.00 O ATOM 998 C5 U B 520 -9.792 11.633 -24.275 1.00 0.00 C ATOM 999 C6 U B 520 -8.877 12.192 -23.480 1.00 0.00 C ATOM 0 H5' U B 520 -4.692 11.786 -20.401 1.00 0.00 H new ATOM 0 H5'' U B 520 -5.948 11.994 -19.196 1.00 0.00 H new ATOM 0 H4' U B 520 -5.290 13.997 -20.607 1.00 0.00 H new ATOM 0 H3' U B 520 -8.231 13.016 -20.410 1.00 0.00 H new ATOM 0 H2' U B 520 -8.942 14.965 -21.856 1.00 0.00 H new ATOM 0 HO2' U B 520 -7.147 15.991 -20.330 1.00 0.00 H new ATOM 0 H1' U B 520 -6.731 14.659 -23.494 1.00 0.00 H new ATOM 0 H3 U B 520 -9.852 14.081 -26.506 1.00 0.00 H new ATOM 0 H5 U B 520 -10.225 10.672 -24.040 1.00 0.00 H new ATOM 0 H6 U B 520 -8.577 11.658 -22.590 1.00 0.00 H new ATOM 1010 P G B 521 -8.070 13.834 -17.959 1.00 0.00 P ATOM 1011 OP1 G B 521 -7.719 14.645 -16.771 1.00 0.00 O ATOM 1012 OP2 G B 521 -7.712 12.398 -17.936 1.00 0.00 O ATOM 1013 O5' G B 521 -9.650 13.946 -18.185 1.00 0.00 O ATOM 1014 C5' G B 521 -10.444 12.764 -18.270 1.00 0.00 C ATOM 1015 C4' G B 521 -11.801 13.005 -17.649 1.00 0.00 C ATOM 1016 O4' G B 521 -12.721 12.518 -18.643 1.00 0.00 O ATOM 1017 C3' G B 521 -12.133 12.077 -16.483 1.00 0.00 C ATOM 1018 O3' G B 521 -11.949 12.776 -15.254 1.00 0.00 O ATOM 1019 C2' G B 521 -13.570 11.685 -16.685 1.00 0.00 C ATOM 1020 O2' G B 521 -14.270 12.802 -16.183 1.00 0.00 O ATOM 1021 C1' G B 521 -13.609 11.515 -18.202 1.00 0.00 C ATOM 1022 N9 G B 521 -13.173 10.178 -18.656 1.00 0.00 N ATOM 1023 C8 G B 521 -11.933 9.650 -18.579 1.00 0.00 C ATOM 1024 N7 G B 521 -11.868 8.420 -19.078 1.00 0.00 N ATOM 1025 C5 G B 521 -13.147 8.165 -19.492 1.00 0.00 C ATOM 1026 C6 G B 521 -13.723 7.032 -20.105 1.00 0.00 C ATOM 1027 O6 G B 521 -13.125 5.997 -20.394 1.00 0.00 O ATOM 1028 N1 G B 521 -15.051 7.087 -20.401 1.00 0.00 N ATOM 1029 C2 G B 521 -15.734 8.213 -20.094 1.00 0.00 C ATOM 1030 N2 G B 521 -17.014 8.112 -20.445 1.00 0.00 N ATOM 1031 N3 G B 521 -15.291 9.344 -19.514 1.00 0.00 N ATOM 1032 C4 G B 521 -13.961 9.225 -19.245 1.00 0.00 C ATOM 0 H5' G B 521 -9.942 11.942 -17.759 1.00 0.00 H new ATOM 0 H5'' G B 521 -10.560 12.468 -19.313 1.00 0.00 H new ATOM 0 H4' G B 521 -11.840 14.047 -17.331 1.00 0.00 H new ATOM 0 H3' G B 521 -11.492 11.196 -16.445 1.00 0.00 H new ATOM 0 H2' G B 521 -13.981 10.795 -16.209 1.00 0.00 H new ATOM 0 HO2' G B 521 -13.663 13.355 -15.648 1.00 0.00 H new ATOM 0 H1' G B 521 -14.620 11.603 -18.599 1.00 0.00 H new ATOM 0 H8 G B 521 -11.086 10.171 -18.158 1.00 0.00 H new ATOM 0 H1 G B 521 -15.520 6.297 -20.844 1.00 0.00 H new ATOM 0 H21 G B 521 -17.653 8.889 -20.274 1.00 0.00 H new ATOM 0 H22 G B 521 -17.356 7.258 -20.885 1.00 0.00 H new ATOM 1044 P C B 522 -11.568 11.970 -13.925 1.00 0.00 P ATOM 1045 OP1 C B 522 -10.108 12.039 -13.701 1.00 0.00 O ATOM 1046 OP2 C B 522 -12.191 10.628 -13.960 1.00 0.00 O ATOM 1047 O5' C B 522 -12.285 12.817 -12.772 1.00 0.00 O ATOM 1048 C5' C B 522 -11.537 13.763 -12.012 1.00 0.00 C ATOM 1049 C4' C B 522 -12.243 14.057 -10.708 1.00 0.00 C ATOM 1050 O4' C B 522 -13.665 14.008 -10.932 1.00 0.00 O ATOM 1051 C3' C B 522 -12.248 12.897 -9.718 1.00 0.00 C ATOM 1052 O3' C B 522 -11.027 12.899 -8.979 1.00 0.00 O ATOM 1053 C2' C B 522 -13.433 13.142 -8.825 1.00 0.00 C ATOM 1054 O2' C B 522 -12.961 14.140 -7.949 1.00 0.00 O ATOM 1055 C1' C B 522 -14.468 13.602 -9.847 1.00 0.00 C ATOM 1056 N1 C B 522 -15.412 12.539 -10.250 1.00 0.00 N ATOM 1057 C2 C B 522 -16.401 12.170 -9.338 1.00 0.00 C ATOM 1058 O2 C B 522 -16.441 12.745 -8.245 1.00 0.00 O ATOM 1059 N3 C B 522 -17.272 11.205 -9.682 1.00 0.00 N ATOM 1060 C4 C B 522 -17.214 10.603 -10.853 1.00 0.00 C ATOM 1061 N4 C B 522 -18.083 9.652 -11.174 1.00 0.00 N ATOM 1062 C5 C B 522 -16.200 10.966 -11.816 1.00 0.00 C ATOM 1063 C6 C B 522 -15.339 11.930 -11.459 1.00 0.00 C ATOM 0 H5' C B 522 -11.413 14.683 -12.583 1.00 0.00 H new ATOM 0 H5'' C B 522 -10.538 13.374 -11.814 1.00 0.00 H new ATOM 0 H4' C B 522 -11.759 14.972 -10.367 1.00 0.00 H new ATOM 0 H3' C B 522 -12.322 11.924 -10.204 1.00 0.00 H new ATOM 0 H2' C B 522 -13.854 12.341 -8.217 1.00 0.00 H new ATOM 0 HO2' C B 522 -11.981 14.137 -7.948 1.00 0.00 H new ATOM 0 H1' C B 522 -15.117 14.383 -9.450 1.00 0.00 H new ATOM 0 H41 C B 522 -18.026 9.195 -12.084 1.00 0.00 H new ATOM 0 H42 C B 522 -18.808 9.378 -10.511 1.00 0.00 H new ATOM 0 H5 C B 522 -16.138 10.483 -12.780 1.00 0.00 H new ATOM 0 H6 C B 522 -14.567 12.229 -12.153 1.00 0.00 H new ATOM 1075 P U B 523 -10.333 11.516 -8.576 1.00 0.00 P ATOM 1076 OP1 U B 523 -10.223 10.647 -9.769 1.00 0.00 O ATOM 1077 OP2 U B 523 -11.002 10.953 -7.381 1.00 0.00 O ATOM 1078 O5' U B 523 -8.858 11.963 -8.152 1.00 0.00 O ATOM 1079 C5' U B 523 -7.832 12.063 -9.139 1.00 0.00 C ATOM 1080 C4' U B 523 -6.487 12.249 -8.472 1.00 0.00 C ATOM 1081 O4' U B 523 -6.709 12.772 -7.139 1.00 0.00 O ATOM 1082 C3' U B 523 -5.873 10.965 -7.921 1.00 0.00 C ATOM 1083 O3' U B 523 -5.233 10.249 -8.988 1.00 0.00 O ATOM 1084 C2' U B 523 -4.883 11.412 -6.883 1.00 0.00 C ATOM 1085 O2' U B 523 -3.771 11.796 -7.661 1.00 0.00 O ATOM 1086 C1' U B 523 -5.652 12.557 -6.230 1.00 0.00 C ATOM 1087 N1 U B 523 -6.165 12.230 -4.884 1.00 0.00 N ATOM 1088 C2 U B 523 -5.295 12.394 -3.850 1.00 0.00 C ATOM 1089 O2 U B 523 -4.147 12.787 -3.987 1.00 0.00 O ATOM 1090 N3 U B 523 -5.771 12.089 -2.595 1.00 0.00 N ATOM 1091 C4 U B 523 -7.045 11.642 -2.353 1.00 0.00 C ATOM 1092 O4 U B 523 -7.362 11.401 -1.190 1.00 0.00 O ATOM 1093 C5 U B 523 -7.913 11.489 -3.467 1.00 0.00 C ATOM 1094 C6 U B 523 -7.430 11.789 -4.675 1.00 0.00 C ATOM 0 H5' U B 523 -8.036 12.902 -9.804 1.00 0.00 H new ATOM 0 H5'' U B 523 -7.820 11.164 -9.755 1.00 0.00 H new ATOM 0 H4' U B 523 -5.913 12.790 -9.225 1.00 0.00 H new ATOM 0 H3' U B 523 -6.612 10.292 -7.486 1.00 0.00 H new ATOM 0 H2' U B 523 -4.529 10.727 -6.113 1.00 0.00 H new ATOM 0 HO2' U B 523 -3.719 11.230 -8.459 1.00 0.00 H new ATOM 0 HO3' U B 523 -4.836 9.425 -8.637 1.00 0.00 H new ATOM 0 H1' U B 523 -5.021 13.429 -6.059 1.00 0.00 H new ATOM 0 H3 U B 523 -5.141 12.202 -1.801 1.00 0.00 H new ATOM 0 H5 U B 523 -8.928 11.142 -3.341 1.00 0.00 H new ATOM 0 H6 U B 523 -8.080 11.675 -5.530 1.00 0.00 H new TER 1105 U B 523 HETATM 1106 ZN ZN A 57 -13.958 -0.347 -22.979 1.00 0.00 ZN