USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 509 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 28 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: B 494 A O2' : rot 135:sc= -1.38! USER MOD Single : A 1 ALA N :NH3+ 149:sc= 0.00605 (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= -0.109 K(o=-0.11,f=-0.7) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= 0.0313 X(o=0.031,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.135 K(o=-0.14,f=-1.5!) USER MOD Single : A 25 GLN : amide:sc= -0.19 X(o=-0.19,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -159:sc= 1 (180deg=0.0992!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -152:sc= -0.211 (180deg=-0.491) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -124:sc= 0.146! (180deg=-0.389) USER MOD Single : A 52 GLN : amide:sc=-0.00247 X(o=-0.0025,f=-0.25) USER MOD Single : A 53 THR OG1 : rot 4:sc= 0.772 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : B 493 A O2' : rot -26:sc= 0.462 USER MOD Single : B 495 C O2' : rot -38:sc= 1.71 USER MOD Single : B 496 A O2' : rot -27:sc= 0.4 USER MOD Single : B 497 G O2' : rot -27:sc= -0.179 USER MOD Single : B 498 U O2' : rot -18:sc= 0.455 USER MOD Single : B 498 U O3' : rot 180:sc= 0.281 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.825 -61.525 4.984 1.00 0.00 N ATOM 2 CA ALA A 1 2.753 -60.077 5.073 1.00 0.00 C ATOM 3 C ALA A 1 3.425 -59.461 3.844 1.00 0.00 C ATOM 4 O ALA A 1 4.526 -59.859 3.469 1.00 0.00 O ATOM 5 CB ALA A 1 3.394 -59.612 6.382 1.00 0.00 C ATOM 0 H1 ALA A 1 2.878 -61.929 5.941 1.00 0.00 H new ATOM 0 H2 ALA A 1 1.977 -61.886 4.502 1.00 0.00 H new ATOM 0 H3 ALA A 1 3.672 -61.798 4.445 1.00 0.00 H new ATOM 0 HA ALA A 1 1.715 -59.745 5.083 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.340 -58.525 6.448 1.00 0.00 H new ATOM 0 HB2 ALA A 1 2.862 -60.054 7.225 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.438 -59.925 6.407 1.00 0.00 H new ATOM 11 N THR A 2 2.734 -58.498 3.251 1.00 0.00 N ATOM 12 CA THR A 2 3.251 -57.822 2.073 1.00 0.00 C ATOM 13 C THR A 2 2.537 -56.485 1.868 1.00 0.00 C ATOM 14 O THR A 2 1.344 -56.366 2.145 1.00 0.00 O ATOM 15 CB THR A 2 3.110 -58.775 0.884 1.00 0.00 C ATOM 16 OG1 THR A 2 3.721 -58.073 -0.197 1.00 0.00 O ATOM 17 CG2 THR A 2 1.656 -58.947 0.440 1.00 0.00 C ATOM 0 H THR A 2 1.820 -58.170 3.564 1.00 0.00 H new ATOM 0 HA THR A 2 4.306 -57.575 2.189 1.00 0.00 H new ATOM 0 HB THR A 2 3.527 -59.747 1.147 1.00 0.00 H new ATOM 0 HG1 THR A 2 3.676 -58.620 -1.009 1.00 0.00 H new ATOM 0 HG21 THR A 2 1.613 -59.633 -0.406 1.00 0.00 H new ATOM 0 HG22 THR A 2 1.069 -59.351 1.265 1.00 0.00 H new ATOM 0 HG23 THR A 2 1.249 -57.980 0.145 1.00 0.00 H new ATOM 25 N VAL A 3 3.296 -55.513 1.386 1.00 0.00 N ATOM 26 CA VAL A 3 2.751 -54.188 1.141 1.00 0.00 C ATOM 27 C VAL A 3 3.592 -53.485 0.075 1.00 0.00 C ATOM 28 O VAL A 3 4.392 -52.604 0.391 1.00 0.00 O ATOM 29 CB VAL A 3 2.672 -53.405 2.453 1.00 0.00 C ATOM 30 CG1 VAL A 3 1.719 -54.084 3.440 1.00 0.00 C ATOM 31 CG2 VAL A 3 4.060 -53.224 3.068 1.00 0.00 C ATOM 0 H VAL A 3 4.285 -55.616 1.158 1.00 0.00 H new ATOM 0 HA VAL A 3 1.733 -54.258 0.758 1.00 0.00 H new ATOM 0 HB VAL A 3 2.274 -52.415 2.229 1.00 0.00 H new ATOM 0 HG11 VAL A 3 1.681 -53.507 4.364 1.00 0.00 H new ATOM 0 HG12 VAL A 3 0.721 -54.137 3.004 1.00 0.00 H new ATOM 0 HG13 VAL A 3 2.075 -55.091 3.655 1.00 0.00 H new ATOM 0 HG21 VAL A 3 3.975 -52.664 3.999 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.498 -54.201 3.270 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.697 -52.677 2.373 1.00 0.00 H new ATOM 41 N VAL A 4 3.384 -53.898 -1.166 1.00 0.00 N ATOM 42 CA VAL A 4 4.112 -53.318 -2.282 1.00 0.00 C ATOM 43 C VAL A 4 4.145 -51.796 -2.128 1.00 0.00 C ATOM 44 O VAL A 4 3.115 -51.134 -2.254 1.00 0.00 O ATOM 45 CB VAL A 4 3.493 -53.772 -3.605 1.00 0.00 C ATOM 46 CG1 VAL A 4 2.088 -53.194 -3.779 1.00 0.00 C ATOM 47 CG2 VAL A 4 4.389 -53.399 -4.787 1.00 0.00 C ATOM 0 H VAL A 4 2.721 -54.629 -1.424 1.00 0.00 H new ATOM 0 HA VAL A 4 5.145 -53.667 -2.286 1.00 0.00 H new ATOM 0 HB VAL A 4 3.408 -54.858 -3.579 1.00 0.00 H new ATOM 0 HG11 VAL A 4 1.670 -53.532 -4.727 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.452 -53.532 -2.961 1.00 0.00 H new ATOM 0 HG13 VAL A 4 2.139 -52.105 -3.773 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.925 -53.733 -5.715 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.521 -52.317 -4.816 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.360 -53.880 -4.673 1.00 0.00 H new ATOM 57 N SER A 5 5.336 -51.285 -1.858 1.00 0.00 N ATOM 58 CA SER A 5 5.516 -49.854 -1.685 1.00 0.00 C ATOM 59 C SER A 5 6.116 -49.245 -2.955 1.00 0.00 C ATOM 60 O SER A 5 6.887 -49.898 -3.656 1.00 0.00 O ATOM 61 CB SER A 5 6.408 -49.552 -0.479 1.00 0.00 C ATOM 62 OG SER A 5 5.871 -48.511 0.334 1.00 0.00 O ATOM 0 H SER A 5 6.187 -51.837 -1.755 1.00 0.00 H new ATOM 0 HA SER A 5 4.539 -49.406 -1.501 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.527 -50.455 0.120 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.401 -49.266 -0.825 1.00 0.00 H new ATOM 0 HG SER A 5 6.468 -48.349 1.094 1.00 0.00 H new ATOM 68 N GLY A 6 5.738 -48.001 -3.212 1.00 0.00 N ATOM 69 CA GLY A 6 6.229 -47.297 -4.384 1.00 0.00 C ATOM 70 C GLY A 6 7.471 -46.471 -4.048 1.00 0.00 C ATOM 71 O GLY A 6 7.615 -45.990 -2.924 1.00 0.00 O ATOM 0 H GLY A 6 5.097 -47.463 -2.628 1.00 0.00 H new ATOM 0 HA2 GLY A 6 6.467 -48.014 -5.170 1.00 0.00 H new ATOM 0 HA3 GLY A 6 5.448 -46.644 -4.774 1.00 0.00 H new ATOM 75 N GLN A 7 8.337 -46.331 -5.041 1.00 0.00 N ATOM 76 CA GLN A 7 9.563 -45.571 -4.864 1.00 0.00 C ATOM 77 C GLN A 7 10.272 -45.386 -6.207 1.00 0.00 C ATOM 78 O GLN A 7 10.719 -46.358 -6.815 1.00 0.00 O ATOM 79 CB GLN A 7 10.484 -46.244 -3.845 1.00 0.00 C ATOM 80 CG GLN A 7 10.384 -45.562 -2.479 1.00 0.00 C ATOM 81 CD GLN A 7 11.737 -44.988 -2.053 1.00 0.00 C ATOM 82 OE1 GLN A 7 12.789 -45.543 -2.326 1.00 0.00 O ATOM 83 NE2 GLN A 7 11.650 -43.851 -1.370 1.00 0.00 N ATOM 0 H GLN A 7 8.214 -46.731 -5.971 1.00 0.00 H new ATOM 0 HA GLN A 7 9.304 -44.587 -4.474 1.00 0.00 H new ATOM 0 HB2 GLN A 7 10.219 -47.297 -3.750 1.00 0.00 H new ATOM 0 HB3 GLN A 7 11.514 -46.206 -4.200 1.00 0.00 H new ATOM 0 HG2 GLN A 7 9.643 -44.764 -2.520 1.00 0.00 H new ATOM 0 HG3 GLN A 7 10.039 -46.279 -1.735 1.00 0.00 H new ATOM 0 HE21 GLN A 7 10.736 -43.441 -1.176 1.00 0.00 H new ATOM 0 HE22 GLN A 7 12.497 -43.389 -1.039 1.00 0.00 H new ATOM 92 N LYS A 8 10.352 -44.134 -6.631 1.00 0.00 N ATOM 93 CA LYS A 8 10.999 -43.810 -7.891 1.00 0.00 C ATOM 94 C LYS A 8 11.608 -42.408 -7.801 1.00 0.00 C ATOM 95 O LYS A 8 11.211 -41.608 -6.955 1.00 0.00 O ATOM 96 CB LYS A 8 10.022 -43.983 -9.055 1.00 0.00 C ATOM 97 CG LYS A 8 10.669 -44.760 -10.203 1.00 0.00 C ATOM 98 CD LYS A 8 10.000 -46.124 -10.387 1.00 0.00 C ATOM 99 CE LYS A 8 11.044 -47.224 -10.589 1.00 0.00 C ATOM 100 NZ LYS A 8 11.294 -47.444 -12.031 1.00 0.00 N ATOM 0 H LYS A 8 9.979 -43.331 -6.124 1.00 0.00 H new ATOM 0 HA LYS A 8 11.818 -44.502 -8.088 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.131 -44.509 -8.712 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.697 -43.005 -9.410 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.591 -44.185 -11.126 1.00 0.00 H new ATOM 0 HG3 LYS A 8 11.732 -44.896 -10.001 1.00 0.00 H new ATOM 0 HD2 LYS A 8 9.389 -46.354 -9.514 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.330 -46.091 -11.246 1.00 0.00 H new ATOM 0 HE2 LYS A 8 11.973 -46.947 -10.091 1.00 0.00 H new ATOM 0 HE3 LYS A 8 10.699 -48.150 -10.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 12.005 -48.194 -12.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 10.409 -47.729 -12.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 11.644 -46.564 -12.461 1.00 0.00 H new ATOM 114 N GLN A 9 12.562 -42.156 -8.684 1.00 0.00 N ATOM 115 CA GLN A 9 13.230 -40.865 -8.716 1.00 0.00 C ATOM 116 C GLN A 9 12.698 -40.021 -9.876 1.00 0.00 C ATOM 117 O GLN A 9 12.125 -40.554 -10.825 1.00 0.00 O ATOM 118 CB GLN A 9 14.747 -41.035 -8.813 1.00 0.00 C ATOM 119 CG GLN A 9 15.318 -41.608 -7.513 1.00 0.00 C ATOM 120 CD GLN A 9 16.845 -41.687 -7.574 1.00 0.00 C ATOM 121 OE1 GLN A 9 17.558 -40.936 -6.929 1.00 0.00 O ATOM 122 NE2 GLN A 9 17.305 -42.638 -8.382 1.00 0.00 N ATOM 0 H GLN A 9 12.889 -42.823 -9.383 1.00 0.00 H new ATOM 0 HA GLN A 9 13.015 -40.343 -7.784 1.00 0.00 H new ATOM 0 HB2 GLN A 9 14.990 -41.697 -9.644 1.00 0.00 H new ATOM 0 HB3 GLN A 9 15.212 -40.072 -9.026 1.00 0.00 H new ATOM 0 HG2 GLN A 9 15.016 -40.984 -6.672 1.00 0.00 H new ATOM 0 HG3 GLN A 9 14.905 -42.601 -7.337 1.00 0.00 H new ATOM 0 HE21 GLN A 9 16.653 -43.233 -8.893 1.00 0.00 H new ATOM 0 HE22 GLN A 9 18.310 -42.773 -8.490 1.00 0.00 H new ATOM 131 N ASP A 10 12.906 -38.718 -9.762 1.00 0.00 N ATOM 132 CA ASP A 10 12.455 -37.794 -10.788 1.00 0.00 C ATOM 133 C ASP A 10 13.569 -37.601 -11.819 1.00 0.00 C ATOM 134 O ASP A 10 14.715 -37.977 -11.578 1.00 0.00 O ATOM 135 CB ASP A 10 12.122 -36.426 -10.191 1.00 0.00 C ATOM 136 CG ASP A 10 11.026 -35.650 -10.924 1.00 0.00 C ATOM 137 OD1 ASP A 10 11.349 -34.552 -11.428 1.00 0.00 O ATOM 138 OD2 ASP A 10 9.891 -36.171 -10.963 1.00 0.00 O ATOM 0 H ASP A 10 13.382 -38.280 -8.973 1.00 0.00 H new ATOM 0 HA ASP A 10 11.561 -38.213 -11.249 1.00 0.00 H new ATOM 0 HB2 ASP A 10 11.817 -36.564 -9.154 1.00 0.00 H new ATOM 0 HB3 ASP A 10 13.029 -35.821 -10.179 1.00 0.00 H new ATOM 143 N ARG A 11 13.193 -37.015 -12.947 1.00 0.00 N ATOM 144 CA ARG A 11 14.146 -36.768 -14.015 1.00 0.00 C ATOM 145 C ARG A 11 15.260 -35.841 -13.529 1.00 0.00 C ATOM 146 O ARG A 11 15.121 -35.185 -12.497 1.00 0.00 O ATOM 147 CB ARG A 11 13.460 -36.137 -15.229 1.00 0.00 C ATOM 148 CG ARG A 11 12.750 -37.199 -16.072 1.00 0.00 C ATOM 149 CD ARG A 11 12.303 -36.623 -17.417 1.00 0.00 C ATOM 150 NE ARG A 11 13.338 -36.876 -18.445 1.00 0.00 N ATOM 151 CZ ARG A 11 13.472 -36.160 -19.569 1.00 0.00 C ATOM 152 NH1 ARG A 11 12.637 -35.141 -19.817 1.00 0.00 N ATOM 153 NH2 ARG A 11 14.439 -36.462 -20.445 1.00 0.00 N ATOM 0 H ARG A 11 12.242 -36.704 -13.144 1.00 0.00 H new ATOM 0 HA ARG A 11 14.571 -37.728 -14.309 1.00 0.00 H new ATOM 0 HB2 ARG A 11 12.739 -35.390 -14.896 1.00 0.00 H new ATOM 0 HB3 ARG A 11 14.199 -35.617 -15.839 1.00 0.00 H new ATOM 0 HG2 ARG A 11 13.419 -38.043 -16.238 1.00 0.00 H new ATOM 0 HG3 ARG A 11 11.885 -37.580 -15.530 1.00 0.00 H new ATOM 0 HD2 ARG A 11 11.359 -37.076 -17.720 1.00 0.00 H new ATOM 0 HD3 ARG A 11 12.127 -35.552 -17.323 1.00 0.00 H new ATOM 0 HE ARG A 11 13.990 -37.644 -18.287 1.00 0.00 H new ATOM 0 HH11 ARG A 11 11.900 -34.911 -19.150 1.00 0.00 H new ATOM 0 HH12 ARG A 11 12.738 -34.595 -20.673 1.00 0.00 H new ATOM 0 HH21 ARG A 11 15.074 -37.238 -20.256 1.00 0.00 H new ATOM 0 HH22 ARG A 11 14.540 -35.916 -21.301 1.00 0.00 H new ATOM 167 N GLN A 12 16.342 -35.814 -14.294 1.00 0.00 N ATOM 168 CA GLN A 12 17.480 -34.977 -13.955 1.00 0.00 C ATOM 169 C GLN A 12 18.373 -34.772 -15.179 1.00 0.00 C ATOM 170 O GLN A 12 18.436 -35.632 -16.057 1.00 0.00 O ATOM 171 CB GLN A 12 18.273 -35.577 -12.791 1.00 0.00 C ATOM 172 CG GLN A 12 19.162 -34.521 -12.131 1.00 0.00 C ATOM 173 CD GLN A 12 19.640 -34.989 -10.756 1.00 0.00 C ATOM 174 OE1 GLN A 12 20.144 -36.087 -10.584 1.00 0.00 O ATOM 175 NE2 GLN A 12 19.455 -34.097 -9.786 1.00 0.00 N ATOM 0 H GLN A 12 16.454 -36.359 -15.149 1.00 0.00 H new ATOM 0 HA GLN A 12 17.108 -34.003 -13.636 1.00 0.00 H new ATOM 0 HB2 GLN A 12 17.586 -35.991 -12.053 1.00 0.00 H new ATOM 0 HB3 GLN A 12 18.888 -36.401 -13.152 1.00 0.00 H new ATOM 0 HG2 GLN A 12 20.022 -34.315 -12.768 1.00 0.00 H new ATOM 0 HG3 GLN A 12 18.609 -33.587 -12.029 1.00 0.00 H new ATOM 0 HE21 GLN A 12 19.027 -33.195 -9.997 1.00 0.00 H new ATOM 0 HE22 GLN A 12 19.741 -34.315 -8.831 1.00 0.00 H new ATOM 184 N GLY A 13 19.043 -33.629 -15.199 1.00 0.00 N ATOM 185 CA GLY A 13 19.929 -33.301 -16.302 1.00 0.00 C ATOM 186 C GLY A 13 19.468 -32.029 -17.017 1.00 0.00 C ATOM 187 O GLY A 13 19.736 -30.921 -16.555 1.00 0.00 O ATOM 0 H GLY A 13 18.990 -32.919 -14.469 1.00 0.00 H new ATOM 0 HA2 GLY A 13 20.944 -33.165 -15.929 1.00 0.00 H new ATOM 0 HA3 GLY A 13 19.957 -34.130 -17.009 1.00 0.00 H new ATOM 191 N GLY A 14 18.783 -32.231 -18.133 1.00 0.00 N ATOM 192 CA GLY A 14 18.282 -31.115 -18.916 1.00 0.00 C ATOM 193 C GLY A 14 17.789 -29.986 -18.008 1.00 0.00 C ATOM 194 O GLY A 14 17.130 -30.238 -16.999 1.00 0.00 O ATOM 0 H GLY A 14 18.563 -33.152 -18.513 1.00 0.00 H new ATOM 0 HA2 GLY A 14 19.070 -30.742 -19.570 1.00 0.00 H new ATOM 0 HA3 GLY A 14 17.468 -31.452 -19.557 1.00 0.00 H new ATOM 198 N GLU A 15 18.125 -28.765 -18.399 1.00 0.00 N ATOM 199 CA GLU A 15 17.723 -27.597 -17.633 1.00 0.00 C ATOM 200 C GLU A 15 18.154 -26.317 -18.353 1.00 0.00 C ATOM 201 O GLU A 15 17.318 -25.491 -18.711 1.00 0.00 O ATOM 202 CB GLU A 15 18.296 -27.648 -16.216 1.00 0.00 C ATOM 203 CG GLU A 15 17.206 -27.384 -15.175 1.00 0.00 C ATOM 204 CD GLU A 15 17.656 -27.836 -13.783 1.00 0.00 C ATOM 205 OE1 GLU A 15 18.368 -28.862 -13.722 1.00 0.00 O ATOM 206 OE2 GLU A 15 17.279 -27.145 -12.813 1.00 0.00 O ATOM 0 H GLU A 15 18.671 -28.559 -19.236 1.00 0.00 H new ATOM 0 HA GLU A 15 16.636 -27.596 -17.550 1.00 0.00 H new ATOM 0 HB2 GLU A 15 18.746 -28.624 -16.037 1.00 0.00 H new ATOM 0 HB3 GLU A 15 19.089 -26.907 -16.114 1.00 0.00 H new ATOM 0 HG2 GLU A 15 16.966 -26.321 -15.156 1.00 0.00 H new ATOM 0 HG3 GLU A 15 16.295 -27.912 -15.456 1.00 0.00 H new ATOM 213 N ARG A 16 19.460 -26.195 -18.543 1.00 0.00 N ATOM 214 CA ARG A 16 20.013 -25.030 -19.213 1.00 0.00 C ATOM 215 C ARG A 16 21.530 -25.165 -19.348 1.00 0.00 C ATOM 216 O ARG A 16 22.129 -26.077 -18.780 1.00 0.00 O ATOM 217 CB ARG A 16 19.688 -23.747 -18.446 1.00 0.00 C ATOM 218 CG ARG A 16 20.324 -23.766 -17.054 1.00 0.00 C ATOM 219 CD ARG A 16 19.618 -22.785 -16.115 1.00 0.00 C ATOM 220 NE ARG A 16 20.614 -22.063 -15.293 1.00 0.00 N ATOM 221 CZ ARG A 16 20.390 -20.880 -14.707 1.00 0.00 C ATOM 222 NH1 ARG A 16 19.203 -20.277 -14.849 1.00 0.00 N ATOM 223 NH2 ARG A 16 21.354 -20.299 -13.979 1.00 0.00 N ATOM 0 H ARG A 16 20.151 -26.884 -18.245 1.00 0.00 H new ATOM 0 HA ARG A 16 19.561 -24.972 -20.203 1.00 0.00 H new ATOM 0 HB2 ARG A 16 20.050 -22.884 -19.004 1.00 0.00 H new ATOM 0 HB3 ARG A 16 18.607 -23.637 -18.355 1.00 0.00 H new ATOM 0 HG2 ARG A 16 20.272 -24.773 -16.640 1.00 0.00 H new ATOM 0 HG3 ARG A 16 21.380 -23.507 -17.129 1.00 0.00 H new ATOM 0 HD2 ARG A 16 19.029 -22.074 -16.695 1.00 0.00 H new ATOM 0 HD3 ARG A 16 18.923 -23.323 -15.470 1.00 0.00 H new ATOM 0 HE ARG A 16 21.530 -22.494 -15.164 1.00 0.00 H new ATOM 0 HH11 ARG A 16 18.470 -20.719 -15.403 1.00 0.00 H new ATOM 0 HH12 ARG A 16 19.032 -19.376 -14.403 1.00 0.00 H new ATOM 0 HH21 ARG A 16 22.258 -20.758 -13.871 1.00 0.00 H new ATOM 0 HH22 ARG A 16 21.183 -19.398 -13.533 1.00 0.00 H new ATOM 237 N ARG A 17 22.110 -24.244 -20.104 1.00 0.00 N ATOM 238 CA ARG A 17 23.546 -24.249 -20.321 1.00 0.00 C ATOM 239 C ARG A 17 24.277 -24.630 -19.031 1.00 0.00 C ATOM 240 O ARG A 17 23.750 -24.440 -17.937 1.00 0.00 O ATOM 241 CB ARG A 17 24.038 -22.878 -20.790 1.00 0.00 C ATOM 242 CG ARG A 17 23.554 -22.579 -22.210 1.00 0.00 C ATOM 243 CD ARG A 17 22.313 -21.683 -22.191 1.00 0.00 C ATOM 244 NE ARG A 17 22.242 -20.889 -23.438 1.00 0.00 N ATOM 245 CZ ARG A 17 22.923 -19.753 -23.643 1.00 0.00 C ATOM 246 NH1 ARG A 17 23.729 -19.271 -22.688 1.00 0.00 N ATOM 247 NH2 ARG A 17 22.797 -19.099 -24.806 1.00 0.00 N ATOM 0 H ARG A 17 21.611 -23.489 -20.574 1.00 0.00 H new ATOM 0 HA ARG A 17 23.761 -24.985 -21.096 1.00 0.00 H new ATOM 0 HB2 ARG A 17 23.679 -22.106 -20.109 1.00 0.00 H new ATOM 0 HB3 ARG A 17 25.127 -22.848 -20.759 1.00 0.00 H new ATOM 0 HG2 ARG A 17 24.350 -22.092 -22.774 1.00 0.00 H new ATOM 0 HG3 ARG A 17 23.325 -23.513 -22.724 1.00 0.00 H new ATOM 0 HD2 ARG A 17 21.416 -22.293 -22.087 1.00 0.00 H new ATOM 0 HD3 ARG A 17 22.348 -21.018 -21.328 1.00 0.00 H new ATOM 0 HE ARG A 17 21.638 -21.227 -24.187 1.00 0.00 H new ATOM 0 HH11 ARG A 17 23.825 -19.769 -21.803 1.00 0.00 H new ATOM 0 HH12 ARG A 17 24.246 -18.406 -22.846 1.00 0.00 H new ATOM 0 HH21 ARG A 17 22.183 -19.466 -25.534 1.00 0.00 H new ATOM 0 HH22 ARG A 17 23.315 -18.234 -24.964 1.00 0.00 H new ATOM 261 N ARG A 18 25.478 -25.161 -19.205 1.00 0.00 N ATOM 262 CA ARG A 18 26.286 -25.571 -18.068 1.00 0.00 C ATOM 263 C ARG A 18 27.502 -24.653 -17.923 1.00 0.00 C ATOM 264 O ARG A 18 28.624 -25.128 -17.750 1.00 0.00 O ATOM 265 CB ARG A 18 26.761 -27.017 -18.223 1.00 0.00 C ATOM 266 CG ARG A 18 27.653 -27.171 -19.457 1.00 0.00 C ATOM 267 CD ARG A 18 27.229 -28.382 -20.291 1.00 0.00 C ATOM 268 NE ARG A 18 27.266 -28.044 -21.731 1.00 0.00 N ATOM 269 CZ ARG A 18 26.271 -27.426 -22.383 1.00 0.00 C ATOM 270 NH1 ARG A 18 25.155 -27.078 -21.729 1.00 0.00 N ATOM 271 NH2 ARG A 18 26.392 -27.159 -23.691 1.00 0.00 N ATOM 0 H ARG A 18 25.911 -25.317 -20.115 1.00 0.00 H new ATOM 0 HA ARG A 18 25.664 -25.499 -17.175 1.00 0.00 H new ATOM 0 HB2 ARG A 18 27.311 -27.321 -17.332 1.00 0.00 H new ATOM 0 HB3 ARG A 18 25.900 -27.680 -18.307 1.00 0.00 H new ATOM 0 HG2 ARG A 18 27.598 -26.268 -20.065 1.00 0.00 H new ATOM 0 HG3 ARG A 18 28.692 -27.284 -19.148 1.00 0.00 H new ATOM 0 HD2 ARG A 18 27.893 -29.223 -20.089 1.00 0.00 H new ATOM 0 HD3 ARG A 18 26.224 -28.694 -20.008 1.00 0.00 H new ATOM 0 HE ARG A 18 28.100 -28.297 -22.260 1.00 0.00 H new ATOM 0 HH11 ARG A 18 25.062 -27.283 -20.734 1.00 0.00 H new ATOM 0 HH12 ARG A 18 24.398 -26.608 -22.226 1.00 0.00 H new ATOM 0 HH21 ARG A 18 27.241 -27.426 -24.190 1.00 0.00 H new ATOM 0 HH22 ARG A 18 25.635 -26.689 -24.188 1.00 0.00 H new ATOM 285 N SER A 19 27.238 -23.358 -17.999 1.00 0.00 N ATOM 286 CA SER A 19 28.297 -22.370 -17.878 1.00 0.00 C ATOM 287 C SER A 19 29.359 -22.607 -18.955 1.00 0.00 C ATOM 288 O SER A 19 29.311 -22.000 -20.023 1.00 0.00 O ATOM 289 CB SER A 19 28.932 -22.411 -16.488 1.00 0.00 C ATOM 290 OG SER A 19 28.564 -21.282 -15.700 1.00 0.00 O ATOM 0 H SER A 19 26.306 -22.969 -18.143 1.00 0.00 H new ATOM 0 HA SER A 19 27.860 -21.381 -18.019 1.00 0.00 H new ATOM 0 HB2 SER A 19 28.628 -23.325 -15.977 1.00 0.00 H new ATOM 0 HB3 SER A 19 30.017 -22.447 -16.586 1.00 0.00 H new ATOM 0 HG SER A 19 28.988 -21.346 -14.819 1.00 0.00 H new ATOM 296 N GLN A 20 30.292 -23.492 -18.636 1.00 0.00 N ATOM 297 CA GLN A 20 31.363 -23.818 -19.561 1.00 0.00 C ATOM 298 C GLN A 20 32.005 -25.153 -19.182 1.00 0.00 C ATOM 299 O GLN A 20 33.196 -25.360 -19.409 1.00 0.00 O ATOM 300 CB GLN A 20 32.407 -22.700 -19.605 1.00 0.00 C ATOM 301 CG GLN A 20 32.371 -21.968 -20.949 1.00 0.00 C ATOM 302 CD GLN A 20 32.910 -20.543 -20.811 1.00 0.00 C ATOM 303 OE1 GLN A 20 32.775 -19.897 -19.784 1.00 0.00 O ATOM 304 NE2 GLN A 20 33.525 -20.090 -21.899 1.00 0.00 N ATOM 0 H GLN A 20 30.328 -23.994 -17.749 1.00 0.00 H new ATOM 0 HA GLN A 20 30.938 -23.914 -20.560 1.00 0.00 H new ATOM 0 HB2 GLN A 20 32.222 -21.993 -18.797 1.00 0.00 H new ATOM 0 HB3 GLN A 20 33.400 -23.118 -19.441 1.00 0.00 H new ATOM 0 HG2 GLN A 20 32.964 -22.516 -21.682 1.00 0.00 H new ATOM 0 HG3 GLN A 20 31.348 -21.939 -21.324 1.00 0.00 H new ATOM 0 HE21 GLN A 20 33.603 -20.683 -22.725 1.00 0.00 H new ATOM 0 HE22 GLN A 20 33.919 -19.149 -21.908 1.00 0.00 H new ATOM 313 N LEU A 21 31.188 -26.025 -18.610 1.00 0.00 N ATOM 314 CA LEU A 21 31.661 -27.336 -18.198 1.00 0.00 C ATOM 315 C LEU A 21 32.555 -27.919 -19.294 1.00 0.00 C ATOM 316 O LEU A 21 32.060 -28.494 -20.262 1.00 0.00 O ATOM 317 CB LEU A 21 30.484 -28.236 -17.820 1.00 0.00 C ATOM 318 CG LEU A 21 30.796 -29.376 -16.847 1.00 0.00 C ATOM 319 CD1 LEU A 21 29.889 -30.580 -17.106 1.00 0.00 C ATOM 320 CD2 LEU A 21 32.278 -29.751 -16.900 1.00 0.00 C ATOM 0 H LEU A 21 30.201 -25.849 -18.422 1.00 0.00 H new ATOM 0 HA LEU A 21 32.271 -27.255 -17.299 1.00 0.00 H new ATOM 0 HB2 LEU A 21 29.703 -27.614 -17.382 1.00 0.00 H new ATOM 0 HB3 LEU A 21 30.074 -28.667 -18.733 1.00 0.00 H new ATOM 0 HG LEU A 21 30.589 -29.029 -15.835 1.00 0.00 H new ATOM 0 HD11 LEU A 21 30.131 -31.376 -16.402 1.00 0.00 H new ATOM 0 HD12 LEU A 21 28.848 -30.285 -16.977 1.00 0.00 H new ATOM 0 HD13 LEU A 21 30.041 -30.938 -18.124 1.00 0.00 H new ATOM 0 HD21 LEU A 21 32.473 -30.563 -16.200 1.00 0.00 H new ATOM 0 HD22 LEU A 21 32.536 -30.072 -17.909 1.00 0.00 H new ATOM 0 HD23 LEU A 21 32.882 -28.885 -16.629 1.00 0.00 H new ATOM 332 N ASP A 22 33.856 -27.751 -19.105 1.00 0.00 N ATOM 333 CA ASP A 22 34.822 -28.253 -20.066 1.00 0.00 C ATOM 334 C ASP A 22 34.857 -29.782 -19.996 1.00 0.00 C ATOM 335 O ASP A 22 34.465 -30.369 -18.989 1.00 0.00 O ATOM 336 CB ASP A 22 36.228 -27.734 -19.757 1.00 0.00 C ATOM 337 CG ASP A 22 36.997 -27.195 -20.964 1.00 0.00 C ATOM 338 OD1 ASP A 22 37.550 -28.036 -21.706 1.00 0.00 O ATOM 339 OD2 ASP A 22 37.016 -25.955 -21.119 1.00 0.00 O ATOM 0 H ASP A 22 34.263 -27.274 -18.300 1.00 0.00 H new ATOM 0 HA ASP A 22 34.521 -27.911 -21.056 1.00 0.00 H new ATOM 0 HB2 ASP A 22 36.151 -26.943 -19.011 1.00 0.00 H new ATOM 0 HB3 ASP A 22 36.806 -28.541 -19.307 1.00 0.00 H new ATOM 344 N ARG A 23 35.331 -30.381 -21.078 1.00 0.00 N ATOM 345 CA ARG A 23 35.423 -31.830 -21.152 1.00 0.00 C ATOM 346 C ARG A 23 36.473 -32.346 -20.166 1.00 0.00 C ATOM 347 O ARG A 23 36.614 -33.553 -19.978 1.00 0.00 O ATOM 348 CB ARG A 23 35.791 -32.287 -22.565 1.00 0.00 C ATOM 349 CG ARG A 23 34.559 -32.305 -23.473 1.00 0.00 C ATOM 350 CD ARG A 23 33.613 -33.445 -23.090 1.00 0.00 C ATOM 351 NE ARG A 23 33.950 -34.663 -23.859 1.00 0.00 N ATOM 352 CZ ARG A 23 33.378 -35.859 -23.662 1.00 0.00 C ATOM 353 NH1 ARG A 23 32.438 -36.004 -22.718 1.00 0.00 N ATOM 354 NH2 ARG A 23 33.748 -36.909 -24.407 1.00 0.00 N ATOM 0 H ARG A 23 35.656 -29.890 -21.911 1.00 0.00 H new ATOM 0 HA ARG A 23 34.446 -32.238 -20.894 1.00 0.00 H new ATOM 0 HB2 ARG A 23 36.545 -31.620 -22.982 1.00 0.00 H new ATOM 0 HB3 ARG A 23 36.233 -33.283 -22.526 1.00 0.00 H new ATOM 0 HG2 ARG A 23 34.035 -31.352 -23.400 1.00 0.00 H new ATOM 0 HG3 ARG A 23 34.870 -32.419 -24.512 1.00 0.00 H new ATOM 0 HD2 ARG A 23 33.688 -33.647 -22.022 1.00 0.00 H new ATOM 0 HD3 ARG A 23 32.581 -33.154 -23.288 1.00 0.00 H new ATOM 0 HE ARG A 23 34.663 -34.588 -24.585 1.00 0.00 H new ATOM 0 HH11 ARG A 23 32.158 -35.204 -22.150 1.00 0.00 H new ATOM 0 HH12 ARG A 23 32.002 -36.914 -22.568 1.00 0.00 H new ATOM 0 HH21 ARG A 23 34.465 -36.798 -25.124 1.00 0.00 H new ATOM 0 HH22 ARG A 23 33.313 -37.819 -24.257 1.00 0.00 H new ATOM 368 N ASP A 24 37.186 -31.405 -19.563 1.00 0.00 N ATOM 369 CA ASP A 24 38.220 -31.749 -18.603 1.00 0.00 C ATOM 370 C ASP A 24 38.026 -30.919 -17.332 1.00 0.00 C ATOM 371 O ASP A 24 38.974 -30.698 -16.580 1.00 0.00 O ATOM 372 CB ASP A 24 39.613 -31.444 -19.158 1.00 0.00 C ATOM 373 CG ASP A 24 40.594 -32.618 -19.123 1.00 0.00 C ATOM 374 OD1 ASP A 24 40.385 -33.507 -18.270 1.00 0.00 O ATOM 375 OD2 ASP A 24 41.531 -32.598 -19.951 1.00 0.00 O ATOM 0 H ASP A 24 37.067 -30.404 -19.721 1.00 0.00 H new ATOM 0 HA ASP A 24 38.142 -32.816 -18.392 1.00 0.00 H new ATOM 0 HB2 ASP A 24 39.511 -31.106 -20.189 1.00 0.00 H new ATOM 0 HB3 ASP A 24 40.040 -30.616 -18.592 1.00 0.00 H new ATOM 380 N GLN A 25 36.792 -30.483 -17.132 1.00 0.00 N ATOM 381 CA GLN A 25 36.461 -29.683 -15.964 1.00 0.00 C ATOM 382 C GLN A 25 35.561 -30.475 -15.015 1.00 0.00 C ATOM 383 O GLN A 25 34.479 -30.915 -15.403 1.00 0.00 O ATOM 384 CB GLN A 25 35.801 -28.364 -16.373 1.00 0.00 C ATOM 385 CG GLN A 25 36.503 -27.173 -15.715 1.00 0.00 C ATOM 386 CD GLN A 25 35.528 -26.013 -15.504 1.00 0.00 C ATOM 387 OE1 GLN A 25 35.151 -25.679 -14.392 1.00 0.00 O ATOM 388 NE2 GLN A 25 35.143 -25.418 -16.630 1.00 0.00 N ATOM 0 H GLN A 25 36.009 -30.668 -17.758 1.00 0.00 H new ATOM 0 HA GLN A 25 37.385 -29.442 -15.439 1.00 0.00 H new ATOM 0 HB2 GLN A 25 35.835 -28.257 -17.457 1.00 0.00 H new ATOM 0 HB3 GLN A 25 34.749 -28.375 -16.086 1.00 0.00 H new ATOM 0 HG2 GLN A 25 36.924 -27.478 -14.757 1.00 0.00 H new ATOM 0 HG3 GLN A 25 37.334 -26.846 -16.339 1.00 0.00 H new ATOM 0 HE21 GLN A 25 35.497 -25.748 -17.528 1.00 0.00 H new ATOM 0 HE22 GLN A 25 34.494 -24.632 -16.595 1.00 0.00 H new ATOM 397 N CYS A 26 36.039 -30.632 -13.790 1.00 0.00 N ATOM 398 CA CYS A 26 35.292 -31.364 -12.782 1.00 0.00 C ATOM 399 C CYS A 26 33.918 -30.707 -12.633 1.00 0.00 C ATOM 400 O CYS A 26 33.822 -29.494 -12.450 1.00 0.00 O ATOM 401 CB CYS A 26 36.043 -31.422 -11.451 1.00 0.00 C ATOM 402 SG CYS A 26 35.043 -32.316 -10.205 1.00 0.00 S ATOM 0 H CYS A 26 36.936 -30.264 -13.472 1.00 0.00 H new ATOM 0 HA CYS A 26 35.168 -32.400 -13.099 1.00 0.00 H new ATOM 0 HB2 CYS A 26 37.002 -31.922 -11.587 1.00 0.00 H new ATOM 0 HB3 CYS A 26 36.257 -30.412 -11.101 1.00 0.00 H new ATOM 407 N ALA A 27 32.888 -31.537 -12.716 1.00 0.00 N ATOM 408 CA ALA A 27 31.524 -31.052 -12.593 1.00 0.00 C ATOM 409 C ALA A 27 31.017 -31.323 -11.174 1.00 0.00 C ATOM 410 O ALA A 27 29.837 -31.604 -10.976 1.00 0.00 O ATOM 411 CB ALA A 27 30.649 -31.712 -13.660 1.00 0.00 C ATOM 0 H ALA A 27 32.971 -32.542 -12.867 1.00 0.00 H new ATOM 0 HA ALA A 27 31.483 -29.975 -12.758 1.00 0.00 H new ATOM 0 HB1 ALA A 27 29.626 -31.348 -13.568 1.00 0.00 H new ATOM 0 HB2 ALA A 27 31.034 -31.466 -14.650 1.00 0.00 H new ATOM 0 HB3 ALA A 27 30.663 -32.793 -13.524 1.00 0.00 H new ATOM 417 N TYR A 28 31.936 -31.228 -10.225 1.00 0.00 N ATOM 418 CA TYR A 28 31.597 -31.459 -8.830 1.00 0.00 C ATOM 419 C TYR A 28 32.077 -30.302 -7.951 1.00 0.00 C ATOM 420 O TYR A 28 31.291 -29.717 -7.206 1.00 0.00 O ATOM 421 CB TYR A 28 32.337 -32.734 -8.423 1.00 0.00 C ATOM 422 CG TYR A 28 31.790 -33.393 -7.154 1.00 0.00 C ATOM 423 CD1 TYR A 28 30.898 -34.442 -7.249 1.00 0.00 C ATOM 424 CD2 TYR A 28 32.188 -32.936 -5.914 1.00 0.00 C ATOM 425 CE1 TYR A 28 30.384 -35.061 -6.056 1.00 0.00 C ATOM 426 CE2 TYR A 28 31.673 -33.554 -4.720 1.00 0.00 C ATOM 427 CZ TYR A 28 30.796 -34.586 -4.850 1.00 0.00 C ATOM 428 OH TYR A 28 30.310 -35.171 -3.722 1.00 0.00 O ATOM 0 H TYR A 28 32.914 -30.994 -10.394 1.00 0.00 H new ATOM 0 HA TYR A 28 30.517 -31.544 -8.706 1.00 0.00 H new ATOM 0 HB2 TYR A 28 32.285 -33.450 -9.243 1.00 0.00 H new ATOM 0 HB3 TYR A 28 33.390 -32.498 -8.272 1.00 0.00 H new ATOM 0 HD1 TYR A 28 30.586 -34.798 -8.219 1.00 0.00 H new ATOM 0 HD2 TYR A 28 32.886 -32.115 -5.839 1.00 0.00 H new ATOM 0 HE1 TYR A 28 29.687 -35.884 -6.117 1.00 0.00 H new ATOM 0 HE2 TYR A 28 31.976 -33.206 -3.743 1.00 0.00 H new ATOM 0 HH TYR A 28 30.691 -34.730 -2.934 1.00 0.00 H new ATOM 438 N CYS A 29 33.364 -30.008 -8.065 1.00 0.00 N ATOM 439 CA CYS A 29 33.957 -28.932 -7.290 1.00 0.00 C ATOM 440 C CYS A 29 34.224 -27.755 -8.228 1.00 0.00 C ATOM 441 O CYS A 29 34.336 -26.614 -7.783 1.00 0.00 O ATOM 442 CB CYS A 29 35.228 -29.388 -6.570 1.00 0.00 C ATOM 443 SG CYS A 29 36.485 -29.914 -7.791 1.00 0.00 S ATOM 0 H CYS A 29 34.012 -30.496 -8.683 1.00 0.00 H new ATOM 0 HA CYS A 29 33.266 -28.621 -6.507 1.00 0.00 H new ATOM 0 HB2 CYS A 29 35.621 -28.576 -5.959 1.00 0.00 H new ATOM 0 HB3 CYS A 29 34.998 -30.212 -5.895 1.00 0.00 H new ATOM 448 N LYS A 30 34.321 -28.071 -9.511 1.00 0.00 N ATOM 449 CA LYS A 30 34.574 -27.054 -10.517 1.00 0.00 C ATOM 450 C LYS A 30 36.083 -26.905 -10.718 1.00 0.00 C ATOM 451 O LYS A 30 36.556 -25.850 -11.137 1.00 0.00 O ATOM 452 CB LYS A 30 33.872 -25.746 -10.144 1.00 0.00 C ATOM 453 CG LYS A 30 32.481 -26.016 -9.566 1.00 0.00 C ATOM 454 CD LYS A 30 31.412 -25.213 -10.309 1.00 0.00 C ATOM 455 CE LYS A 30 30.877 -25.994 -11.512 1.00 0.00 C ATOM 456 NZ LYS A 30 29.630 -25.377 -12.017 1.00 0.00 N ATOM 0 H LYS A 30 34.229 -29.019 -9.877 1.00 0.00 H new ATOM 0 HA LYS A 30 34.152 -27.354 -11.476 1.00 0.00 H new ATOM 0 HB2 LYS A 30 34.473 -25.201 -9.416 1.00 0.00 H new ATOM 0 HB3 LYS A 30 33.786 -25.111 -11.026 1.00 0.00 H new ATOM 0 HG2 LYS A 30 32.255 -27.080 -9.635 1.00 0.00 H new ATOM 0 HG3 LYS A 30 32.466 -25.755 -8.508 1.00 0.00 H new ATOM 0 HD2 LYS A 30 30.592 -24.977 -9.630 1.00 0.00 H new ATOM 0 HD3 LYS A 30 31.832 -24.265 -10.644 1.00 0.00 H new ATOM 0 HE2 LYS A 30 31.627 -26.013 -12.303 1.00 0.00 H new ATOM 0 HE3 LYS A 30 30.688 -27.029 -11.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 29.096 -26.077 -12.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 29.052 -25.056 -11.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 29.865 -24.564 -12.621 1.00 0.00 H new ATOM 470 N GLU A 31 36.797 -27.977 -10.411 1.00 0.00 N ATOM 471 CA GLU A 31 38.244 -27.980 -10.553 1.00 0.00 C ATOM 472 C GLU A 31 38.645 -28.606 -11.890 1.00 0.00 C ATOM 473 O GLU A 31 38.332 -29.765 -12.156 1.00 0.00 O ATOM 474 CB GLU A 31 38.907 -28.711 -9.384 1.00 0.00 C ATOM 475 CG GLU A 31 38.715 -27.943 -8.076 1.00 0.00 C ATOM 476 CD GLU A 31 39.106 -28.802 -6.871 1.00 0.00 C ATOM 477 OE1 GLU A 31 38.288 -28.864 -5.928 1.00 0.00 O ATOM 478 OE2 GLU A 31 40.214 -29.378 -6.922 1.00 0.00 O ATOM 0 H GLU A 31 36.401 -28.851 -10.064 1.00 0.00 H new ATOM 0 HA GLU A 31 38.594 -26.948 -10.539 1.00 0.00 H new ATOM 0 HB2 GLU A 31 38.483 -29.711 -9.288 1.00 0.00 H new ATOM 0 HB3 GLU A 31 39.971 -28.834 -9.584 1.00 0.00 H new ATOM 0 HG2 GLU A 31 39.319 -27.036 -8.091 1.00 0.00 H new ATOM 0 HG3 GLU A 31 37.675 -27.632 -7.983 1.00 0.00 H new ATOM 485 N LYS A 32 39.331 -27.809 -12.697 1.00 0.00 N ATOM 486 CA LYS A 32 39.779 -28.270 -14.000 1.00 0.00 C ATOM 487 C LYS A 32 41.038 -29.121 -13.830 1.00 0.00 C ATOM 488 O LYS A 32 41.995 -28.699 -13.182 1.00 0.00 O ATOM 489 CB LYS A 32 39.959 -27.087 -14.954 1.00 0.00 C ATOM 490 CG LYS A 32 40.706 -27.513 -16.219 1.00 0.00 C ATOM 491 CD LYS A 32 40.337 -26.616 -17.402 1.00 0.00 C ATOM 492 CE LYS A 32 41.358 -26.751 -18.534 1.00 0.00 C ATOM 493 NZ LYS A 32 40.679 -27.067 -19.810 1.00 0.00 N ATOM 0 H LYS A 32 39.587 -26.847 -12.473 1.00 0.00 H new ATOM 0 HA LYS A 32 39.023 -28.907 -14.459 1.00 0.00 H new ATOM 0 HB2 LYS A 32 38.984 -26.680 -15.222 1.00 0.00 H new ATOM 0 HB3 LYS A 32 40.510 -26.291 -14.453 1.00 0.00 H new ATOM 0 HG2 LYS A 32 41.781 -27.466 -16.044 1.00 0.00 H new ATOM 0 HG3 LYS A 32 40.466 -28.550 -16.455 1.00 0.00 H new ATOM 0 HD2 LYS A 32 39.345 -26.882 -17.769 1.00 0.00 H new ATOM 0 HD3 LYS A 32 40.288 -25.578 -17.074 1.00 0.00 H new ATOM 0 HE2 LYS A 32 41.922 -25.824 -18.635 1.00 0.00 H new ATOM 0 HE3 LYS A 32 42.075 -27.536 -18.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 41.386 -27.155 -20.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 40.160 -27.963 -19.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 40.012 -26.305 -20.046 1.00 0.00 H new ATOM 507 N GLY A 33 41.000 -30.305 -14.424 1.00 0.00 N ATOM 508 CA GLY A 33 42.126 -31.219 -14.347 1.00 0.00 C ATOM 509 C GLY A 33 41.655 -32.648 -14.073 1.00 0.00 C ATOM 510 O GLY A 33 42.076 -33.586 -14.749 1.00 0.00 O ATOM 0 H GLY A 33 40.206 -30.652 -14.961 1.00 0.00 H new ATOM 0 HA2 GLY A 33 42.687 -31.190 -15.281 1.00 0.00 H new ATOM 0 HA3 GLY A 33 42.806 -30.899 -13.557 1.00 0.00 H new ATOM 514 N HIS A 34 40.787 -32.771 -13.079 1.00 0.00 N ATOM 515 CA HIS A 34 40.254 -34.071 -12.706 1.00 0.00 C ATOM 516 C HIS A 34 38.755 -34.117 -13.013 1.00 0.00 C ATOM 517 O HIS A 34 38.103 -33.078 -13.104 1.00 0.00 O ATOM 518 CB HIS A 34 40.570 -34.389 -11.244 1.00 0.00 C ATOM 519 CG HIS A 34 39.796 -33.552 -10.252 1.00 0.00 C ATOM 520 ND1 HIS A 34 40.357 -32.486 -9.572 1.00 0.00 N ATOM 521 CD2 HIS A 34 38.501 -33.637 -9.834 1.00 0.00 C ATOM 522 CE1 HIS A 34 39.432 -31.960 -8.783 1.00 0.00 C ATOM 523 NE2 HIS A 34 38.283 -32.674 -8.947 1.00 0.00 N ATOM 0 H HIS A 34 40.439 -31.992 -12.520 1.00 0.00 H new ATOM 0 HA HIS A 34 40.736 -34.849 -13.298 1.00 0.00 H new ATOM 0 HB2 HIS A 34 40.359 -35.442 -11.058 1.00 0.00 H new ATOM 0 HB3 HIS A 34 41.637 -34.243 -11.073 1.00 0.00 H new ATOM 0 HD1 HIS A 34 41.319 -32.160 -9.663 1.00 0.00 H new ATOM 0 HD2 HIS A 34 37.776 -34.364 -10.168 1.00 0.00 H new ATOM 0 HE1 HIS A 34 39.565 -31.114 -8.125 1.00 0.00 H new ATOM 531 N TRP A 35 38.252 -35.334 -13.164 1.00 0.00 N ATOM 532 CA TRP A 35 36.843 -35.530 -13.458 1.00 0.00 C ATOM 533 C TRP A 35 36.096 -35.660 -12.129 1.00 0.00 C ATOM 534 O TRP A 35 36.695 -35.992 -11.107 1.00 0.00 O ATOM 535 CB TRP A 35 36.638 -36.734 -14.380 1.00 0.00 C ATOM 536 CG TRP A 35 36.582 -36.378 -15.866 1.00 0.00 C ATOM 537 CD1 TRP A 35 37.338 -35.494 -16.532 1.00 0.00 C ATOM 538 CD2 TRP A 35 35.686 -36.935 -16.851 1.00 0.00 C ATOM 539 NE1 TRP A 35 36.997 -35.442 -17.869 1.00 0.00 N ATOM 540 CE2 TRP A 35 35.960 -36.346 -18.068 1.00 0.00 C ATOM 541 CE3 TRP A 35 34.677 -37.905 -16.718 1.00 0.00 C ATOM 542 CZ2 TRP A 35 35.271 -36.660 -19.245 1.00 0.00 C ATOM 543 CZ3 TRP A 35 33.997 -38.208 -17.903 1.00 0.00 C ATOM 544 CH2 TRP A 35 34.261 -37.625 -19.136 1.00 0.00 C ATOM 0 H TRP A 35 38.796 -36.194 -13.088 1.00 0.00 H new ATOM 0 HA TRP A 35 36.440 -34.675 -14.001 1.00 0.00 H new ATOM 0 HB2 TRP A 35 37.448 -37.445 -14.218 1.00 0.00 H new ATOM 0 HB3 TRP A 35 35.712 -37.237 -14.103 1.00 0.00 H new ATOM 0 HD1 TRP A 35 38.116 -34.897 -16.080 1.00 0.00 H new ATOM 0 HE1 TRP A 35 37.427 -34.850 -18.579 1.00 0.00 H new ATOM 0 HE3 TRP A 35 34.445 -38.379 -15.776 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 35.505 -36.184 -20.186 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 33.211 -38.947 -17.856 1.00 0.00 H new ATOM 0 HH2 TRP A 35 33.691 -37.914 -20.006 1.00 0.00 H new ATOM 555 N ALA A 36 34.800 -35.393 -12.186 1.00 0.00 N ATOM 556 CA ALA A 36 33.965 -35.476 -11.000 1.00 0.00 C ATOM 557 C ALA A 36 34.015 -36.902 -10.446 1.00 0.00 C ATOM 558 O ALA A 36 33.948 -37.103 -9.235 1.00 0.00 O ATOM 559 CB ALA A 36 32.542 -35.033 -11.345 1.00 0.00 C ATOM 0 H ALA A 36 34.307 -35.119 -13.036 1.00 0.00 H new ATOM 0 HA ALA A 36 34.334 -34.807 -10.223 1.00 0.00 H new ATOM 0 HB1 ALA A 36 31.916 -35.095 -10.455 1.00 0.00 H new ATOM 0 HB2 ALA A 36 32.558 -34.005 -11.706 1.00 0.00 H new ATOM 0 HB3 ALA A 36 32.136 -35.683 -12.120 1.00 0.00 H new ATOM 565 N LYS A 37 34.132 -37.854 -11.360 1.00 0.00 N ATOM 566 CA LYS A 37 34.190 -39.254 -10.978 1.00 0.00 C ATOM 567 C LYS A 37 35.497 -39.519 -10.226 1.00 0.00 C ATOM 568 O LYS A 37 35.680 -40.591 -9.651 1.00 0.00 O ATOM 569 CB LYS A 37 33.991 -40.152 -12.201 1.00 0.00 C ATOM 570 CG LYS A 37 32.518 -40.208 -12.607 1.00 0.00 C ATOM 571 CD LYS A 37 32.253 -39.329 -13.832 1.00 0.00 C ATOM 572 CE LYS A 37 32.208 -40.169 -15.110 1.00 0.00 C ATOM 573 NZ LYS A 37 33.542 -40.739 -15.402 1.00 0.00 N ATOM 0 H LYS A 37 34.188 -37.683 -12.364 1.00 0.00 H new ATOM 0 HA LYS A 37 33.375 -39.497 -10.297 1.00 0.00 H new ATOM 0 HB2 LYS A 37 34.587 -39.777 -13.033 1.00 0.00 H new ATOM 0 HB3 LYS A 37 34.349 -41.157 -11.980 1.00 0.00 H new ATOM 0 HG2 LYS A 37 32.236 -41.238 -12.826 1.00 0.00 H new ATOM 0 HG3 LYS A 37 31.895 -39.877 -11.776 1.00 0.00 H new ATOM 0 HD2 LYS A 37 31.308 -38.800 -13.707 1.00 0.00 H new ATOM 0 HD3 LYS A 37 33.033 -38.573 -13.917 1.00 0.00 H new ATOM 0 HE2 LYS A 37 31.479 -40.972 -14.999 1.00 0.00 H new ATOM 0 HE3 LYS A 37 31.878 -39.552 -15.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 33.641 -40.883 -16.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 34.279 -40.084 -15.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 33.644 -41.651 -14.913 1.00 0.00 H new ATOM 587 N ASP A 38 36.372 -38.524 -10.257 1.00 0.00 N ATOM 588 CA ASP A 38 37.655 -38.636 -9.585 1.00 0.00 C ATOM 589 C ASP A 38 37.872 -37.406 -8.701 1.00 0.00 C ATOM 590 O ASP A 38 39.008 -37.058 -8.384 1.00 0.00 O ATOM 591 CB ASP A 38 38.801 -38.700 -10.597 1.00 0.00 C ATOM 592 CG ASP A 38 39.855 -39.773 -10.314 1.00 0.00 C ATOM 593 OD1 ASP A 38 41.007 -39.378 -10.036 1.00 0.00 O ATOM 594 OD2 ASP A 38 39.482 -40.965 -10.383 1.00 0.00 O ATOM 0 H ASP A 38 36.217 -37.637 -10.737 1.00 0.00 H new ATOM 0 HA ASP A 38 37.647 -39.549 -8.990 1.00 0.00 H new ATOM 0 HB2 ASP A 38 38.382 -38.876 -11.587 1.00 0.00 H new ATOM 0 HB3 ASP A 38 39.293 -37.728 -10.628 1.00 0.00 H new ATOM 599 N CYS A 39 36.765 -36.783 -8.328 1.00 0.00 N ATOM 600 CA CYS A 39 36.820 -35.599 -7.487 1.00 0.00 C ATOM 601 C CYS A 39 37.336 -36.014 -6.107 1.00 0.00 C ATOM 602 O CYS A 39 36.862 -36.992 -5.531 1.00 0.00 O ATOM 603 CB CYS A 39 35.460 -34.902 -7.401 1.00 0.00 C ATOM 604 SG CYS A 39 35.636 -33.291 -6.550 1.00 0.00 S ATOM 0 H CYS A 39 35.824 -37.075 -8.592 1.00 0.00 H new ATOM 0 HA CYS A 39 37.501 -34.870 -7.925 1.00 0.00 H new ATOM 0 HB2 CYS A 39 35.055 -34.752 -8.402 1.00 0.00 H new ATOM 0 HB3 CYS A 39 34.752 -35.532 -6.862 1.00 0.00 H new ATOM 609 N PRO A 40 38.327 -35.230 -5.604 1.00 0.00 N ATOM 610 CA PRO A 40 38.912 -35.506 -4.304 1.00 0.00 C ATOM 611 C PRO A 40 37.965 -35.091 -3.176 1.00 0.00 C ATOM 612 O PRO A 40 38.294 -35.236 -2.000 1.00 0.00 O ATOM 613 CB PRO A 40 40.224 -34.737 -4.292 1.00 0.00 C ATOM 614 CG PRO A 40 40.105 -33.694 -5.391 1.00 0.00 C ATOM 615 CD PRO A 40 38.914 -34.065 -6.259 1.00 0.00 C ATOM 0 HA PRO A 40 39.087 -36.569 -4.139 1.00 0.00 H new ATOM 0 HB2 PRO A 40 40.392 -34.266 -3.323 1.00 0.00 H new ATOM 0 HB3 PRO A 40 41.068 -35.402 -4.474 1.00 0.00 H new ATOM 0 HG2 PRO A 40 39.970 -32.701 -4.962 1.00 0.00 H new ATOM 0 HG3 PRO A 40 41.017 -33.662 -5.987 1.00 0.00 H new ATOM 0 HD2 PRO A 40 38.199 -33.244 -6.323 1.00 0.00 H new ATOM 0 HD3 PRO A 40 39.224 -34.298 -7.278 1.00 0.00 H new ATOM 623 N LYS A 41 36.808 -34.583 -3.576 1.00 0.00 N ATOM 624 CA LYS A 41 35.811 -34.145 -2.613 1.00 0.00 C ATOM 625 C LYS A 41 34.814 -35.279 -2.369 1.00 0.00 C ATOM 626 O LYS A 41 34.119 -35.291 -1.354 1.00 0.00 O ATOM 627 CB LYS A 41 35.160 -32.840 -3.074 1.00 0.00 C ATOM 628 CG LYS A 41 34.887 -31.914 -1.887 1.00 0.00 C ATOM 629 CD LYS A 41 33.969 -30.760 -2.291 1.00 0.00 C ATOM 630 CE LYS A 41 33.102 -30.310 -1.113 1.00 0.00 C ATOM 631 NZ LYS A 41 33.729 -29.162 -0.419 1.00 0.00 N ATOM 0 H LYS A 41 36.539 -34.465 -4.553 1.00 0.00 H new ATOM 0 HA LYS A 41 36.278 -33.919 -1.654 1.00 0.00 H new ATOM 0 HB2 LYS A 41 35.811 -32.338 -3.789 1.00 0.00 H new ATOM 0 HB3 LYS A 41 34.226 -33.058 -3.592 1.00 0.00 H new ATOM 0 HG2 LYS A 41 34.429 -32.481 -1.077 1.00 0.00 H new ATOM 0 HG3 LYS A 41 35.828 -31.518 -1.506 1.00 0.00 H new ATOM 0 HD2 LYS A 41 34.568 -29.922 -2.647 1.00 0.00 H new ATOM 0 HD3 LYS A 41 33.331 -31.071 -3.119 1.00 0.00 H new ATOM 0 HE2 LYS A 41 32.110 -30.030 -1.469 1.00 0.00 H new ATOM 0 HE3 LYS A 41 32.969 -31.136 -0.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 33.129 -28.868 0.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 34.665 -29.441 -0.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 33.834 -28.369 -1.084 1.00 0.00 H new ATOM 645 N LYS A 42 34.774 -36.204 -3.316 1.00 0.00 N ATOM 646 CA LYS A 42 33.873 -37.340 -3.217 1.00 0.00 C ATOM 647 C LYS A 42 34.205 -38.140 -1.956 1.00 0.00 C ATOM 648 O LYS A 42 35.256 -38.774 -1.878 1.00 0.00 O ATOM 649 CB LYS A 42 33.913 -38.171 -4.501 1.00 0.00 C ATOM 650 CG LYS A 42 32.694 -37.882 -5.379 1.00 0.00 C ATOM 651 CD LYS A 42 32.129 -39.174 -5.975 1.00 0.00 C ATOM 652 CE LYS A 42 32.690 -39.421 -7.376 1.00 0.00 C ATOM 653 NZ LYS A 42 31.621 -39.885 -8.289 1.00 0.00 N ATOM 0 H LYS A 42 35.352 -36.190 -4.157 1.00 0.00 H new ATOM 0 HA LYS A 42 32.842 -37.000 -3.118 1.00 0.00 H new ATOM 0 HB2 LYS A 42 34.825 -37.948 -5.054 1.00 0.00 H new ATOM 0 HB3 LYS A 42 33.943 -39.232 -4.251 1.00 0.00 H new ATOM 0 HG2 LYS A 42 31.926 -37.383 -4.788 1.00 0.00 H new ATOM 0 HG3 LYS A 42 32.973 -37.199 -6.181 1.00 0.00 H new ATOM 0 HD2 LYS A 42 32.375 -40.016 -5.327 1.00 0.00 H new ATOM 0 HD3 LYS A 42 31.042 -39.113 -6.020 1.00 0.00 H new ATOM 0 HE2 LYS A 42 33.134 -38.504 -7.763 1.00 0.00 H new ATOM 0 HE3 LYS A 42 33.485 -40.165 -7.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 31.896 -40.795 -8.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 30.736 -40.005 -7.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 31.479 -39.182 -9.042 1.00 0.00 H new ATOM 667 N PRO A 43 33.266 -38.083 -0.975 1.00 0.00 N ATOM 668 CA PRO A 43 33.449 -38.795 0.279 1.00 0.00 C ATOM 669 C PRO A 43 33.216 -40.296 0.096 1.00 0.00 C ATOM 670 O PRO A 43 32.361 -40.881 0.758 1.00 0.00 O ATOM 671 CB PRO A 43 32.463 -38.155 1.243 1.00 0.00 C ATOM 672 CG PRO A 43 31.445 -37.430 0.378 1.00 0.00 C ATOM 673 CD PRO A 43 32.009 -37.342 -1.031 1.00 0.00 C ATOM 0 HA PRO A 43 34.467 -38.718 0.661 1.00 0.00 H new ATOM 0 HB2 PRO A 43 31.980 -38.908 1.866 1.00 0.00 H new ATOM 0 HB3 PRO A 43 32.968 -37.462 1.916 1.00 0.00 H new ATOM 0 HG2 PRO A 43 30.495 -37.965 0.376 1.00 0.00 H new ATOM 0 HG3 PRO A 43 31.249 -36.433 0.774 1.00 0.00 H new ATOM 0 HD2 PRO A 43 31.325 -37.778 -1.759 1.00 0.00 H new ATOM 0 HD3 PRO A 43 32.173 -36.306 -1.328 1.00 0.00 H new ATOM 681 N ARG A 44 33.993 -40.877 -0.806 1.00 0.00 N ATOM 682 CA ARG A 44 33.883 -42.299 -1.084 1.00 0.00 C ATOM 683 C ARG A 44 32.421 -42.681 -1.323 1.00 0.00 C ATOM 684 O ARG A 44 31.715 -43.059 -0.390 1.00 0.00 O ATOM 685 CB ARG A 44 34.439 -43.132 0.073 1.00 0.00 C ATOM 686 CG ARG A 44 35.213 -44.345 -0.447 1.00 0.00 C ATOM 687 CD ARG A 44 36.184 -44.870 0.612 1.00 0.00 C ATOM 688 NE ARG A 44 37.426 -44.067 0.602 1.00 0.00 N ATOM 689 CZ ARG A 44 38.263 -43.964 1.644 1.00 0.00 C ATOM 690 NH1 ARG A 44 37.994 -44.614 2.786 1.00 0.00 N ATOM 691 NH2 ARG A 44 39.368 -43.213 1.545 1.00 0.00 N ATOM 0 H ARG A 44 34.701 -40.389 -1.354 1.00 0.00 H new ATOM 0 HA ARG A 44 34.468 -42.508 -1.980 1.00 0.00 H new ATOM 0 HB2 ARG A 44 35.094 -42.515 0.688 1.00 0.00 H new ATOM 0 HB3 ARG A 44 33.621 -43.465 0.712 1.00 0.00 H new ATOM 0 HG2 ARG A 44 34.515 -45.133 -0.728 1.00 0.00 H new ATOM 0 HG3 ARG A 44 35.764 -44.071 -1.347 1.00 0.00 H new ATOM 0 HD2 ARG A 44 35.720 -44.825 1.597 1.00 0.00 H new ATOM 0 HD3 ARG A 44 36.416 -45.917 0.417 1.00 0.00 H new ATOM 0 HE ARG A 44 37.660 -43.560 -0.251 1.00 0.00 H new ATOM 0 HH11 ARG A 44 37.153 -45.186 2.861 1.00 0.00 H new ATOM 0 HH12 ARG A 44 38.630 -44.536 3.579 1.00 0.00 H new ATOM 0 HH21 ARG A 44 39.573 -42.719 0.676 1.00 0.00 H new ATOM 0 HH22 ARG A 44 40.004 -43.135 2.338 1.00 0.00 H new ATOM 705 N GLY A 45 32.011 -42.568 -2.578 1.00 0.00 N ATOM 706 CA GLY A 45 30.644 -42.898 -2.951 1.00 0.00 C ATOM 707 C GLY A 45 30.437 -42.749 -4.459 1.00 0.00 C ATOM 708 O GLY A 45 31.343 -42.323 -5.175 1.00 0.00 O ATOM 0 H GLY A 45 32.600 -42.253 -3.349 1.00 0.00 H new ATOM 0 HA2 GLY A 45 30.417 -43.920 -2.648 1.00 0.00 H new ATOM 0 HA3 GLY A 45 29.951 -42.247 -2.419 1.00 0.00 H new ATOM 712 N PRO A 46 29.208 -43.117 -4.909 1.00 0.00 N ATOM 713 CA PRO A 46 28.193 -43.610 -3.994 1.00 0.00 C ATOM 714 C PRO A 46 28.500 -45.044 -3.557 1.00 0.00 C ATOM 715 O PRO A 46 29.116 -45.806 -4.301 1.00 0.00 O ATOM 716 CB PRO A 46 26.884 -43.490 -4.758 1.00 0.00 C ATOM 717 CG PRO A 46 27.266 -43.373 -6.224 1.00 0.00 C ATOM 718 CD PRO A 46 28.753 -43.073 -6.296 1.00 0.00 C ATOM 0 HA PRO A 46 28.151 -43.041 -3.065 1.00 0.00 H new ATOM 0 HB2 PRO A 46 26.251 -44.361 -4.588 1.00 0.00 H new ATOM 0 HB3 PRO A 46 26.319 -42.617 -4.431 1.00 0.00 H new ATOM 0 HG2 PRO A 46 27.037 -44.298 -6.753 1.00 0.00 H new ATOM 0 HG3 PRO A 46 26.693 -42.581 -6.706 1.00 0.00 H new ATOM 0 HD2 PRO A 46 29.276 -43.808 -6.908 1.00 0.00 H new ATOM 0 HD3 PRO A 46 28.939 -42.096 -6.743 1.00 0.00 H new ATOM 726 N ARG A 47 28.056 -45.368 -2.351 1.00 0.00 N ATOM 727 CA ARG A 47 28.276 -46.696 -1.805 1.00 0.00 C ATOM 728 C ARG A 47 27.099 -47.108 -0.919 1.00 0.00 C ATOM 729 O ARG A 47 26.700 -46.364 -0.024 1.00 0.00 O ATOM 730 CB ARG A 47 29.566 -46.749 -0.984 1.00 0.00 C ATOM 731 CG ARG A 47 30.089 -48.181 -0.874 1.00 0.00 C ATOM 732 CD ARG A 47 29.791 -48.771 0.506 1.00 0.00 C ATOM 733 NE ARG A 47 30.948 -49.567 0.976 1.00 0.00 N ATOM 734 CZ ARG A 47 30.873 -50.511 1.925 1.00 0.00 C ATOM 735 NH1 ARG A 47 29.698 -50.781 2.509 1.00 0.00 N ATOM 736 NH2 ARG A 47 31.973 -51.183 2.289 1.00 0.00 N ATOM 0 H ARG A 47 27.545 -44.734 -1.737 1.00 0.00 H new ATOM 0 HA ARG A 47 28.364 -47.387 -2.643 1.00 0.00 H new ATOM 0 HB2 ARG A 47 30.323 -46.117 -1.448 1.00 0.00 H new ATOM 0 HB3 ARG A 47 29.383 -46.348 0.013 1.00 0.00 H new ATOM 0 HG2 ARG A 47 29.629 -48.800 -1.645 1.00 0.00 H new ATOM 0 HG3 ARG A 47 31.164 -48.194 -1.054 1.00 0.00 H new ATOM 0 HD2 ARG A 47 29.578 -47.971 1.215 1.00 0.00 H new ATOM 0 HD3 ARG A 47 28.902 -49.400 0.458 1.00 0.00 H new ATOM 0 HE ARG A 47 31.858 -49.386 0.552 1.00 0.00 H new ATOM 0 HH11 ARG A 47 28.861 -50.268 2.232 1.00 0.00 H new ATOM 0 HH12 ARG A 47 29.640 -51.499 3.231 1.00 0.00 H new ATOM 0 HH21 ARG A 47 32.867 -50.976 1.844 1.00 0.00 H new ATOM 0 HH22 ARG A 47 31.916 -51.901 3.011 1.00 0.00 H new ATOM 750 N GLY A 48 26.573 -48.291 -1.201 1.00 0.00 N ATOM 751 CA GLY A 48 25.449 -48.810 -0.440 1.00 0.00 C ATOM 752 C GLY A 48 24.127 -48.233 -0.952 1.00 0.00 C ATOM 753 O GLY A 48 23.930 -47.019 -0.939 1.00 0.00 O ATOM 0 H GLY A 48 26.904 -48.905 -1.945 1.00 0.00 H new ATOM 0 HA2 GLY A 48 25.427 -49.897 -0.512 1.00 0.00 H new ATOM 0 HA3 GLY A 48 25.574 -48.563 0.614 1.00 0.00 H new ATOM 757 N PRO A 49 23.234 -49.154 -1.403 1.00 0.00 N ATOM 758 CA PRO A 49 21.937 -48.750 -1.919 1.00 0.00 C ATOM 759 C PRO A 49 20.998 -48.344 -0.782 1.00 0.00 C ATOM 760 O PRO A 49 21.304 -48.561 0.389 1.00 0.00 O ATOM 761 CB PRO A 49 21.434 -49.949 -2.705 1.00 0.00 C ATOM 762 CG PRO A 49 22.248 -51.137 -2.219 1.00 0.00 C ATOM 763 CD PRO A 49 23.434 -50.600 -1.434 1.00 0.00 C ATOM 0 HA PRO A 49 21.995 -47.869 -2.558 1.00 0.00 H new ATOM 0 HB2 PRO A 49 20.369 -50.109 -2.535 1.00 0.00 H new ATOM 0 HB3 PRO A 49 21.566 -49.797 -3.776 1.00 0.00 H new ATOM 0 HG2 PRO A 49 21.638 -51.787 -1.592 1.00 0.00 H new ATOM 0 HG3 PRO A 49 22.589 -51.737 -3.063 1.00 0.00 H new ATOM 0 HD2 PRO A 49 23.464 -51.017 -0.427 1.00 0.00 H new ATOM 0 HD3 PRO A 49 24.377 -50.859 -1.915 1.00 0.00 H new ATOM 771 N ARG A 50 19.872 -47.761 -1.167 1.00 0.00 N ATOM 772 CA ARG A 50 18.885 -47.323 -0.193 1.00 0.00 C ATOM 773 C ARG A 50 18.235 -48.530 0.484 1.00 0.00 C ATOM 774 O ARG A 50 17.629 -49.368 -0.183 1.00 0.00 O ATOM 775 CB ARG A 50 17.800 -46.472 -0.855 1.00 0.00 C ATOM 776 CG ARG A 50 17.688 -45.103 -0.180 1.00 0.00 C ATOM 777 CD ARG A 50 16.902 -45.199 1.129 1.00 0.00 C ATOM 778 NE ARG A 50 17.577 -44.412 2.183 1.00 0.00 N ATOM 779 CZ ARG A 50 16.973 -43.974 3.296 1.00 0.00 C ATOM 780 NH1 ARG A 50 15.677 -44.243 3.507 1.00 0.00 N ATOM 781 NH2 ARG A 50 17.664 -43.265 4.199 1.00 0.00 N ATOM 0 H ARG A 50 19.621 -47.582 -2.139 1.00 0.00 H new ATOM 0 HA ARG A 50 19.401 -46.719 0.553 1.00 0.00 H new ATOM 0 HB2 ARG A 50 18.030 -46.342 -1.913 1.00 0.00 H new ATOM 0 HB3 ARG A 50 16.842 -46.989 -0.798 1.00 0.00 H new ATOM 0 HG2 ARG A 50 18.685 -44.709 0.018 1.00 0.00 H new ATOM 0 HG3 ARG A 50 17.196 -44.401 -0.853 1.00 0.00 H new ATOM 0 HD2 ARG A 50 15.887 -44.829 0.981 1.00 0.00 H new ATOM 0 HD3 ARG A 50 16.820 -46.241 1.438 1.00 0.00 H new ATOM 0 HE ARG A 50 18.564 -44.189 2.055 1.00 0.00 H new ATOM 0 HH11 ARG A 50 15.150 -44.782 2.820 1.00 0.00 H new ATOM 0 HH12 ARG A 50 15.218 -43.909 4.355 1.00 0.00 H new ATOM 0 HH21 ARG A 50 18.650 -43.059 4.039 1.00 0.00 H new ATOM 0 HH22 ARG A 50 17.204 -42.932 5.046 1.00 0.00 H new ATOM 795 N PRO A 51 18.386 -48.582 1.834 1.00 0.00 N ATOM 796 CA PRO A 51 17.821 -49.674 2.609 1.00 0.00 C ATOM 797 C PRO A 51 16.305 -49.518 2.750 1.00 0.00 C ATOM 798 O PRO A 51 15.735 -48.522 2.308 1.00 0.00 O ATOM 799 CB PRO A 51 18.549 -49.628 3.942 1.00 0.00 C ATOM 800 CG PRO A 51 19.158 -48.239 4.038 1.00 0.00 C ATOM 801 CD PRO A 51 19.097 -47.608 2.657 1.00 0.00 C ATOM 0 HA PRO A 51 17.956 -50.644 2.130 1.00 0.00 H new ATOM 0 HB2 PRO A 51 17.862 -49.811 4.768 1.00 0.00 H new ATOM 0 HB3 PRO A 51 19.320 -50.397 3.992 1.00 0.00 H new ATOM 0 HG2 PRO A 51 18.612 -47.632 4.760 1.00 0.00 H new ATOM 0 HG3 PRO A 51 20.189 -48.297 4.386 1.00 0.00 H new ATOM 0 HD2 PRO A 51 18.573 -46.653 2.681 1.00 0.00 H new ATOM 0 HD3 PRO A 51 20.096 -47.414 2.266 1.00 0.00 H new ATOM 809 N GLN A 52 15.695 -50.519 3.369 1.00 0.00 N ATOM 810 CA GLN A 52 14.256 -50.506 3.573 1.00 0.00 C ATOM 811 C GLN A 52 13.530 -50.390 2.232 1.00 0.00 C ATOM 812 O GLN A 52 13.250 -49.287 1.766 1.00 0.00 O ATOM 813 CB GLN A 52 13.848 -49.373 4.517 1.00 0.00 C ATOM 814 CG GLN A 52 12.776 -49.842 5.504 1.00 0.00 C ATOM 815 CD GLN A 52 12.354 -48.705 6.438 1.00 0.00 C ATOM 816 OE1 GLN A 52 12.183 -47.568 6.032 1.00 0.00 O ATOM 817 NE2 GLN A 52 12.198 -49.076 7.704 1.00 0.00 N ATOM 0 H GLN A 52 16.171 -51.344 3.736 1.00 0.00 H new ATOM 0 HA GLN A 52 13.966 -51.447 4.040 1.00 0.00 H new ATOM 0 HB2 GLN A 52 14.721 -49.018 5.064 1.00 0.00 H new ATOM 0 HB3 GLN A 52 13.471 -48.530 3.938 1.00 0.00 H new ATOM 0 HG2 GLN A 52 11.908 -50.208 4.956 1.00 0.00 H new ATOM 0 HG3 GLN A 52 13.158 -50.677 6.091 1.00 0.00 H new ATOM 0 HE21 GLN A 52 12.358 -50.046 7.975 1.00 0.00 H new ATOM 0 HE22 GLN A 52 11.918 -48.391 8.406 1.00 0.00 H new ATOM 826 N THR A 53 13.245 -51.545 1.648 1.00 0.00 N ATOM 827 CA THR A 53 12.557 -51.588 0.369 1.00 0.00 C ATOM 828 C THR A 53 11.836 -52.926 0.195 1.00 0.00 C ATOM 829 O THR A 53 12.376 -53.975 0.542 1.00 0.00 O ATOM 830 CB THR A 53 13.582 -51.302 -0.730 1.00 0.00 C ATOM 831 OG1 THR A 53 13.776 -49.891 -0.667 1.00 0.00 O ATOM 832 CG2 THR A 53 13.019 -51.539 -2.132 1.00 0.00 C ATOM 0 H THR A 53 13.478 -52.458 2.037 1.00 0.00 H new ATOM 0 HA THR A 53 11.779 -50.827 0.313 1.00 0.00 H new ATOM 0 HB THR A 53 14.459 -51.932 -0.580 1.00 0.00 H new ATOM 0 HG1 THR A 53 13.263 -49.523 0.083 1.00 0.00 H new ATOM 0 HG21 THR A 53 13.787 -51.321 -2.874 1.00 0.00 H new ATOM 0 HG22 THR A 53 12.706 -52.579 -2.228 1.00 0.00 H new ATOM 0 HG23 THR A 53 12.162 -50.886 -2.295 1.00 0.00 H new ATOM 840 N SER A 54 10.628 -52.846 -0.343 1.00 0.00 N ATOM 841 CA SER A 54 9.828 -54.038 -0.567 1.00 0.00 C ATOM 842 C SER A 54 9.740 -54.334 -2.065 1.00 0.00 C ATOM 843 O SER A 54 9.292 -53.494 -2.843 1.00 0.00 O ATOM 844 CB SER A 54 8.426 -53.880 0.026 1.00 0.00 C ATOM 845 OG SER A 54 8.440 -53.929 1.450 1.00 0.00 O ATOM 0 H SER A 54 10.184 -51.974 -0.630 1.00 0.00 H new ATOM 0 HA SER A 54 10.313 -54.875 -0.065 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.999 -52.931 -0.300 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.779 -54.669 -0.358 1.00 0.00 H new ATOM 0 HG SER A 54 7.527 -53.823 1.790 1.00 0.00 H new ATOM 851 N LEU A 55 10.175 -55.533 -2.425 1.00 0.00 N ATOM 852 CA LEU A 55 10.151 -55.952 -3.816 1.00 0.00 C ATOM 853 C LEU A 55 9.907 -57.460 -3.887 1.00 0.00 C ATOM 854 O LEU A 55 10.336 -58.204 -3.006 1.00 0.00 O ATOM 855 CB LEU A 55 11.426 -55.502 -4.533 1.00 0.00 C ATOM 856 CG LEU A 55 11.381 -55.527 -6.062 1.00 0.00 C ATOM 857 CD1 LEU A 55 10.709 -54.268 -6.612 1.00 0.00 C ATOM 858 CD2 LEU A 55 12.778 -55.736 -6.648 1.00 0.00 C ATOM 0 H LEU A 55 10.546 -56.228 -1.777 1.00 0.00 H new ATOM 0 HA LEU A 55 9.328 -55.470 -4.344 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.660 -54.487 -4.213 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.248 -56.137 -4.203 1.00 0.00 H new ATOM 0 HG LEU A 55 10.772 -56.376 -6.372 1.00 0.00 H new ATOM 0 HD11 LEU A 55 10.690 -54.312 -7.701 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.689 -54.205 -6.234 1.00 0.00 H new ATOM 0 HD13 LEU A 55 11.268 -53.388 -6.294 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.718 -55.750 -7.736 1.00 0.00 H new ATOM 0 HD22 LEU A 55 13.431 -54.923 -6.331 1.00 0.00 H new ATOM 0 HD23 LEU A 55 13.182 -56.685 -6.295 1.00 0.00 H new ATOM 870 N LEU A 56 9.217 -57.867 -4.942 1.00 0.00 N ATOM 871 CA LEU A 56 8.908 -59.273 -5.139 1.00 0.00 C ATOM 872 C LEU A 56 7.962 -59.743 -4.033 1.00 0.00 C ATOM 873 O LEU A 56 8.400 -60.071 -2.932 1.00 0.00 O ATOM 874 CB LEU A 56 10.196 -60.094 -5.235 1.00 0.00 C ATOM 875 CG LEU A 56 10.021 -61.580 -5.556 1.00 0.00 C ATOM 876 CD1 LEU A 56 10.672 -61.932 -6.896 1.00 0.00 C ATOM 877 CD2 LEU A 56 10.548 -62.454 -4.416 1.00 0.00 C ATOM 0 H LEU A 56 8.863 -57.247 -5.670 1.00 0.00 H new ATOM 0 HA LEU A 56 8.389 -59.420 -6.086 1.00 0.00 H new ATOM 0 HB2 LEU A 56 10.831 -59.649 -6.001 1.00 0.00 H new ATOM 0 HB3 LEU A 56 10.730 -60.007 -4.289 1.00 0.00 H new ATOM 0 HG LEU A 56 8.955 -61.785 -5.652 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.533 -62.994 -7.100 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.209 -61.346 -7.690 1.00 0.00 H new ATOM 0 HD13 LEU A 56 11.738 -61.707 -6.853 1.00 0.00 H new ATOM 0 HD21 LEU A 56 10.411 -63.505 -4.670 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.608 -62.253 -4.263 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.000 -62.228 -3.501 1.00 0.00 H new TER 889 LEU A 56 ATOM 890 P A B 493 20.073 -32.936 -5.917 1.00 0.00 P ATOM 891 OP1 A B 493 19.839 -34.264 -6.527 1.00 0.00 O ATOM 892 OP2 A B 493 19.606 -32.731 -4.528 1.00 0.00 O ATOM 893 O5' A B 493 21.645 -32.643 -5.959 1.00 0.00 O ATOM 894 C5' A B 493 22.117 -31.310 -6.139 1.00 0.00 C ATOM 895 C4' A B 493 22.286 -30.632 -4.798 1.00 0.00 C ATOM 896 O4' A B 493 21.649 -31.503 -3.844 1.00 0.00 O ATOM 897 C3' A B 493 23.717 -30.625 -4.271 1.00 0.00 C ATOM 898 O3' A B 493 24.304 -29.347 -4.508 1.00 0.00 O ATOM 899 C2' A B 493 23.601 -30.915 -2.800 1.00 0.00 C ATOM 900 O2' A B 493 23.255 -29.658 -2.263 1.00 0.00 O ATOM 901 C1' A B 493 22.485 -31.955 -2.803 1.00 0.00 C ATOM 902 N9 A B 493 22.962 -33.330 -3.062 1.00 0.00 N ATOM 903 C8 A B 493 23.478 -33.817 -4.210 1.00 0.00 C ATOM 904 N7 A B 493 23.814 -35.100 -4.118 1.00 0.00 N ATOM 905 C5 A B 493 23.486 -35.434 -2.831 1.00 0.00 C ATOM 906 C6 A B 493 23.601 -36.649 -2.122 1.00 0.00 C ATOM 907 N6 A B 493 24.100 -37.799 -2.644 1.00 0.00 N ATOM 908 N1 A B 493 23.180 -36.662 -0.829 1.00 0.00 N ATOM 909 C2 A B 493 22.681 -35.521 -0.301 1.00 0.00 C ATOM 910 N3 A B 493 22.527 -34.315 -0.879 1.00 0.00 N ATOM 911 C4 A B 493 22.965 -34.369 -2.168 1.00 0.00 C ATOM 0 H5' A B 493 21.414 -30.747 -6.754 1.00 0.00 H new ATOM 0 H5'' A B 493 23.068 -31.322 -6.672 1.00 0.00 H new ATOM 0 H4' A B 493 21.913 -29.615 -4.916 1.00 0.00 H new ATOM 0 H3' A B 493 24.353 -31.361 -4.762 1.00 0.00 H new ATOM 0 H2' A B 493 24.451 -31.295 -2.234 1.00 0.00 H new ATOM 0 HO2' A B 493 23.592 -28.948 -2.849 1.00 0.00 H new ATOM 0 H1' A B 493 21.994 -32.032 -1.833 1.00 0.00 H new ATOM 0 H8 A B 493 23.604 -33.228 -5.106 1.00 0.00 H new ATOM 0 H61 A B 493 24.152 -38.640 -2.069 1.00 0.00 H new ATOM 0 H62 A B 493 24.423 -37.822 -3.611 1.00 0.00 H new ATOM 0 H2 A B 493 22.361 -35.587 0.729 1.00 0.00 H new ATOM 923 P A B 494 25.016 -29.041 -5.907 1.00 0.00 P ATOM 924 OP1 A B 494 25.581 -27.672 -5.891 1.00 0.00 O ATOM 925 OP2 A B 494 24.103 -29.389 -7.019 1.00 0.00 O ATOM 926 O5' A B 494 26.235 -30.077 -5.925 1.00 0.00 O ATOM 927 C5' A B 494 26.978 -30.283 -7.125 1.00 0.00 C ATOM 928 C4' A B 494 27.460 -31.714 -7.199 1.00 0.00 C ATOM 929 O4' A B 494 28.773 -31.835 -6.636 1.00 0.00 O ATOM 930 C3' A B 494 26.607 -32.708 -6.415 1.00 0.00 C ATOM 931 O3' A B 494 26.121 -33.716 -7.298 1.00 0.00 O ATOM 932 C2' A B 494 27.525 -33.282 -5.371 1.00 0.00 C ATOM 933 O2' A B 494 27.955 -34.486 -5.967 1.00 0.00 O ATOM 934 C1' A B 494 28.579 -32.182 -5.283 1.00 0.00 C ATOM 935 N9 A B 494 28.144 -31.013 -4.489 1.00 0.00 N ATOM 936 C8 A B 494 27.260 -30.998 -3.470 1.00 0.00 C ATOM 937 N7 A B 494 27.085 -29.782 -2.962 1.00 0.00 N ATOM 938 C5 A B 494 27.912 -28.990 -3.711 1.00 0.00 C ATOM 939 C6 A B 494 28.175 -27.604 -3.663 1.00 0.00 C ATOM 940 N6 A B 494 27.601 -26.742 -2.786 1.00 0.00 N ATOM 941 N1 A B 494 29.068 -27.106 -4.562 1.00 0.00 N ATOM 942 C2 A B 494 29.644 -27.957 -5.439 1.00 0.00 C ATOM 943 N3 A B 494 29.470 -29.285 -5.574 1.00 0.00 N ATOM 944 C4 A B 494 28.568 -29.721 -4.650 1.00 0.00 C ATOM 0 H5' A B 494 27.829 -29.603 -7.156 1.00 0.00 H new ATOM 0 H5'' A B 494 26.356 -30.055 -7.991 1.00 0.00 H new ATOM 0 H4' A B 494 27.417 -31.949 -8.263 1.00 0.00 H new ATOM 0 H3' A B 494 25.734 -32.247 -5.953 1.00 0.00 H new ATOM 0 H2' A B 494 27.161 -33.517 -4.371 1.00 0.00 H new ATOM 0 HO2' A B 494 28.922 -34.585 -5.844 1.00 0.00 H new ATOM 0 H1' A B 494 29.481 -32.518 -4.772 1.00 0.00 H new ATOM 0 H8 A B 494 26.750 -31.878 -3.107 1.00 0.00 H new ATOM 0 H61 A B 494 27.842 -25.751 -2.813 1.00 0.00 H new ATOM 0 H62 A B 494 26.928 -27.085 -2.100 1.00 0.00 H new ATOM 0 H2 A B 494 30.343 -27.508 -6.129 1.00 0.00 H new ATOM 956 P C B 495 25.242 -33.309 -8.571 1.00 0.00 P ATOM 957 OP1 C B 495 25.354 -31.852 -8.808 1.00 0.00 O ATOM 958 OP2 C B 495 23.882 -33.877 -8.441 1.00 0.00 O ATOM 959 O5' C B 495 25.980 -34.064 -9.774 1.00 0.00 O ATOM 960 C5' C B 495 26.806 -33.331 -10.676 1.00 0.00 C ATOM 961 C4' C B 495 27.784 -34.261 -11.358 1.00 0.00 C ATOM 962 O4' C B 495 28.750 -34.755 -10.413 1.00 0.00 O ATOM 963 C3' C B 495 27.207 -35.627 -11.718 1.00 0.00 C ATOM 964 O3' C B 495 26.531 -35.542 -12.971 1.00 0.00 O ATOM 965 C2' C B 495 28.391 -36.550 -11.791 1.00 0.00 C ATOM 966 O2' C B 495 28.955 -36.233 -13.044 1.00 0.00 O ATOM 967 C1' C B 495 29.190 -36.085 -10.577 1.00 0.00 C ATOM 968 N1 C B 495 28.935 -36.887 -9.361 1.00 0.00 N ATOM 969 C2 C B 495 29.425 -38.191 -9.330 1.00 0.00 C ATOM 970 O2 C B 495 30.044 -38.614 -10.313 1.00 0.00 O ATOM 971 N3 C B 495 29.205 -38.940 -8.236 1.00 0.00 N ATOM 972 C4 C B 495 28.542 -38.472 -7.196 1.00 0.00 C ATOM 973 N4 C B 495 28.336 -39.227 -6.124 1.00 0.00 N ATOM 974 C5 C B 495 28.024 -37.123 -7.203 1.00 0.00 C ATOM 975 C6 C B 495 28.251 -36.390 -8.302 1.00 0.00 C ATOM 0 H5' C B 495 27.347 -32.554 -10.136 1.00 0.00 H new ATOM 0 H5'' C B 495 26.188 -32.830 -11.421 1.00 0.00 H new ATOM 0 H4' C B 495 28.125 -33.659 -12.200 1.00 0.00 H new ATOM 0 H3' C B 495 26.479 -35.986 -10.991 1.00 0.00 H new ATOM 0 H2' C B 495 28.263 -37.632 -11.749 1.00 0.00 H new ATOM 0 HO2' C B 495 28.239 -36.055 -13.689 1.00 0.00 H new ATOM 0 H1' C B 495 30.264 -36.187 -10.729 1.00 0.00 H new ATOM 0 H41 C B 495 27.822 -38.852 -5.327 1.00 0.00 H new ATOM 0 H42 C B 495 28.692 -40.182 -6.097 1.00 0.00 H new ATOM 0 H5 C B 495 27.479 -36.723 -6.361 1.00 0.00 H new ATOM 0 H6 C B 495 27.879 -35.377 -8.345 1.00 0.00 H new ATOM 987 P A B 496 24.964 -35.226 -13.014 1.00 0.00 P ATOM 988 OP1 A B 496 24.468 -34.975 -11.642 1.00 0.00 O ATOM 989 OP2 A B 496 24.269 -36.260 -13.813 1.00 0.00 O ATOM 990 O5' A B 496 24.897 -33.848 -13.823 1.00 0.00 O ATOM 991 C5' A B 496 24.212 -33.788 -15.074 1.00 0.00 C ATOM 992 C4' A B 496 25.094 -33.145 -16.119 1.00 0.00 C ATOM 993 O4' A B 496 25.271 -31.794 -15.662 1.00 0.00 O ATOM 994 C3' A B 496 26.559 -33.569 -16.055 1.00 0.00 C ATOM 995 O3' A B 496 26.778 -34.657 -16.949 1.00 0.00 O ATOM 996 C2' A B 496 27.343 -32.352 -16.463 1.00 0.00 C ATOM 997 O2' A B 496 27.204 -32.351 -17.867 1.00 0.00 O ATOM 998 C1' A B 496 26.573 -31.259 -15.728 1.00 0.00 C ATOM 999 N9 A B 496 27.102 -30.973 -14.377 1.00 0.00 N ATOM 1000 C8 A B 496 27.154 -31.813 -13.323 1.00 0.00 C ATOM 1001 N7 A B 496 27.690 -31.250 -12.245 1.00 0.00 N ATOM 1002 C5 A B 496 27.991 -29.978 -12.653 1.00 0.00 C ATOM 1003 C6 A B 496 28.577 -28.891 -11.970 1.00 0.00 C ATOM 1004 N6 A B 496 28.981 -28.924 -10.674 1.00 0.00 N ATOM 1005 N1 A B 496 28.747 -27.734 -12.666 1.00 0.00 N ATOM 1006 C2 A B 496 28.349 -27.692 -13.957 1.00 0.00 C ATOM 1007 N3 A B 496 27.783 -28.659 -14.703 1.00 0.00 N ATOM 1008 C4 A B 496 27.640 -29.787 -13.952 1.00 0.00 C ATOM 0 H5' A B 496 23.289 -33.218 -14.965 1.00 0.00 H new ATOM 0 H5'' A B 496 23.931 -34.792 -15.392 1.00 0.00 H new ATOM 0 H4' A B 496 24.636 -33.362 -17.084 1.00 0.00 H new ATOM 0 H3' A B 496 26.859 -33.910 -15.064 1.00 0.00 H new ATOM 0 H2' A B 496 28.405 -32.265 -16.234 1.00 0.00 H new ATOM 0 HO2' A B 496 27.068 -33.269 -18.183 1.00 0.00 H new ATOM 0 H1' A B 496 26.639 -30.298 -16.238 1.00 0.00 H new ATOM 0 H8 A B 496 26.799 -32.832 -13.352 1.00 0.00 H new ATOM 0 H61 A B 496 29.397 -28.096 -10.248 1.00 0.00 H new ATOM 0 H62 A B 496 28.868 -29.777 -10.126 1.00 0.00 H new ATOM 0 H2 A B 496 28.507 -26.750 -14.461 1.00 0.00 H new ATOM 1020 P G B 497 26.678 -36.163 -16.418 1.00 0.00 P ATOM 1021 OP1 G B 497 25.259 -36.521 -16.198 1.00 0.00 O ATOM 1022 OP2 G B 497 27.614 -36.355 -15.287 1.00 0.00 O ATOM 1023 O5' G B 497 27.218 -37.019 -17.656 1.00 0.00 O ATOM 1024 C5' G B 497 26.889 -36.630 -18.988 1.00 0.00 C ATOM 1025 C4' G B 497 28.139 -36.571 -19.836 1.00 0.00 C ATOM 1026 O4' G B 497 28.846 -35.423 -19.287 1.00 0.00 O ATOM 1027 C3' G B 497 29.197 -37.609 -19.472 1.00 0.00 C ATOM 1028 O3' G B 497 29.039 -38.757 -20.302 1.00 0.00 O ATOM 1029 C2' G B 497 30.517 -36.931 -19.714 1.00 0.00 C ATOM 1030 O2' G B 497 30.636 -36.975 -21.118 1.00 0.00 O ATOM 1031 C1' G B 497 30.242 -35.552 -19.123 1.00 0.00 C ATOM 1032 N9 G B 497 30.625 -35.432 -17.700 1.00 0.00 N ATOM 1033 C8 G B 497 30.046 -36.038 -16.643 1.00 0.00 C ATOM 1034 N7 G B 497 30.629 -35.723 -15.490 1.00 0.00 N ATOM 1035 C5 G B 497 31.634 -34.867 -15.852 1.00 0.00 C ATOM 1036 C6 G B 497 32.606 -34.189 -15.087 1.00 0.00 C ATOM 1037 O6 G B 497 32.724 -34.255 -13.865 1.00 0.00 O ATOM 1038 N1 G B 497 33.485 -33.393 -15.755 1.00 0.00 N ATOM 1039 C2 G B 497 33.379 -33.300 -17.099 1.00 0.00 C ATOM 1040 N2 G B 497 34.306 -32.488 -17.603 1.00 0.00 N ATOM 1041 N3 G B 497 32.499 -33.898 -17.924 1.00 0.00 N ATOM 1042 C4 G B 497 31.650 -34.676 -17.198 1.00 0.00 C ATOM 0 H5' G B 497 26.399 -35.656 -18.980 1.00 0.00 H new ATOM 0 H5'' G B 497 26.182 -37.339 -19.418 1.00 0.00 H new ATOM 0 H4' G B 497 27.827 -36.633 -20.879 1.00 0.00 H new ATOM 0 H3' G B 497 29.119 -37.951 -18.440 1.00 0.00 H new ATOM 0 H2' G B 497 31.439 -37.330 -19.290 1.00 0.00 H new ATOM 0 HO2' G B 497 30.134 -37.742 -21.465 1.00 0.00 H new ATOM 0 H1' G B 497 30.827 -34.773 -19.612 1.00 0.00 H new ATOM 0 H8 G B 497 29.201 -36.706 -16.724 1.00 0.00 H new ATOM 0 H1 G B 497 34.208 -32.878 -15.252 1.00 0.00 H new ATOM 0 H21 G B 497 34.346 -32.322 -18.609 1.00 0.00 H new ATOM 0 H22 G B 497 34.976 -32.032 -16.983 1.00 0.00 H new ATOM 1054 P U B 498 29.575 -40.182 -19.806 1.00 0.00 P ATOM 1055 OP1 U B 498 29.990 -40.092 -18.388 1.00 0.00 O ATOM 1056 OP2 U B 498 30.562 -40.708 -20.774 1.00 0.00 O ATOM 1057 O5' U B 498 28.268 -41.103 -19.881 1.00 0.00 O ATOM 1058 C5' U B 498 27.389 -41.187 -18.762 1.00 0.00 C ATOM 1059 C4' U B 498 27.628 -42.475 -18.009 1.00 0.00 C ATOM 1060 O4' U B 498 28.697 -43.165 -18.725 1.00 0.00 O ATOM 1061 C3' U B 498 28.506 -42.327 -16.769 1.00 0.00 C ATOM 1062 O3' U B 498 27.697 -41.897 -15.662 1.00 0.00 O ATOM 1063 C2' U B 498 29.088 -43.692 -16.529 1.00 0.00 C ATOM 1064 O2' U B 498 28.029 -44.376 -15.900 1.00 0.00 O ATOM 1065 C1' U B 498 29.391 -44.127 -17.961 1.00 0.00 C ATOM 1066 N1 U B 498 30.832 -44.126 -18.285 1.00 0.00 N ATOM 1067 C2 U B 498 31.439 -45.344 -18.336 1.00 0.00 C ATOM 1068 O2 U B 498 30.858 -46.399 -18.132 1.00 0.00 O ATOM 1069 N3 U B 498 32.782 -45.347 -18.639 1.00 0.00 N ATOM 1070 C4 U B 498 33.508 -44.209 -18.882 1.00 0.00 C ATOM 1071 O4 U B 498 34.704 -44.330 -19.142 1.00 0.00 O ATOM 1072 C5 U B 498 32.827 -42.964 -18.816 1.00 0.00 C ATOM 1073 C6 U B 498 31.525 -42.985 -18.520 1.00 0.00 C ATOM 0 H5' U B 498 26.353 -41.141 -19.099 1.00 0.00 H new ATOM 0 H5'' U B 498 27.547 -40.335 -18.101 1.00 0.00 H new ATOM 0 H4' U B 498 26.631 -42.889 -17.856 1.00 0.00 H new ATOM 0 H3' U B 498 29.295 -41.585 -16.893 1.00 0.00 H new ATOM 0 H2' U B 498 29.978 -43.822 -15.913 1.00 0.00 H new ATOM 0 HO2' U B 498 27.381 -43.728 -15.554 1.00 0.00 H new ATOM 0 HO3' U B 498 28.258 -41.803 -14.864 1.00 0.00 H new ATOM 0 H1' U B 498 29.087 -45.157 -18.149 1.00 0.00 H new ATOM 0 H3 U B 498 33.264 -46.245 -18.685 1.00 0.00 H new ATOM 0 H5 U B 498 33.344 -42.034 -18.999 1.00 0.00 H new ATOM 0 H6 U B 498 30.997 -42.044 -18.465 1.00 0.00 H new TER 1084 U B 498 HETATM 1085 ZN ZN A 57 36.446 -32.143 -8.375 1.00 0.00 ZN