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 Single : A 1 ALA N :NH3+ -107:sc= 0.121 (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= -0.0334 K(o=-0.033,f=-2.4) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.12 X(o=-0.12,f=-0.33) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0999 K(o=-0.1,f=-2!) USER MOD Single : A 25 GLN : amide:sc= -0.996 K(o=-1,f=-2.1!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -155:sc= -0.14 (180deg=-0.805) USER MOD Single : A 37 LYS NZ :NH3+ -150:sc= 0.0928 (180deg=0.00478) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 162:sc= -0.0918! (180deg=-0.931!) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : B 493 A O2' : rot -30:sc= 0.406 USER MOD Single : B 494 A O2' : rot 149:sc= -0.281! USER MOD Single : B 495 C O2' : rot -13:sc= 0.389 USER MOD Single : B 496 A O2' : rot -29:sc= 0.501 USER MOD Single : B 497 G O2' : rot -33:sc= -0.0894 USER MOD Single : B 498 U O2' : rot -17:sc= 0.413 USER MOD Single : B 498 U O3' : rot 180:sc= 0.28 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 36.540 -74.870 -15.719 1.00 0.00 N ATOM 2 CA ALA A 1 35.105 -75.039 -15.573 1.00 0.00 C ATOM 3 C ALA A 1 34.528 -73.835 -14.824 1.00 0.00 C ATOM 4 O ALA A 1 35.241 -73.161 -14.082 1.00 0.00 O ATOM 5 CB ALA A 1 34.816 -76.362 -14.861 1.00 0.00 C ATOM 0 H1 ALA A 1 36.763 -74.637 -16.708 1.00 0.00 H new ATOM 0 H2 ALA A 1 36.863 -74.099 -15.100 1.00 0.00 H new ATOM 0 H3 ALA A 1 37.022 -75.752 -15.453 1.00 0.00 H new ATOM 0 HA ALA A 1 34.622 -75.083 -16.549 1.00 0.00 H new ATOM 0 HB1 ALA A 1 33.739 -76.489 -14.752 1.00 0.00 H new ATOM 0 HB2 ALA A 1 35.221 -77.187 -15.448 1.00 0.00 H new ATOM 0 HB3 ALA A 1 35.282 -76.354 -13.876 1.00 0.00 H new ATOM 11 N THR A 2 33.242 -73.603 -15.043 1.00 0.00 N ATOM 12 CA THR A 2 32.562 -72.493 -14.399 1.00 0.00 C ATOM 13 C THR A 2 33.196 -71.164 -14.815 1.00 0.00 C ATOM 14 O THR A 2 34.405 -71.091 -15.033 1.00 0.00 O ATOM 15 CB THR A 2 32.590 -72.733 -12.888 1.00 0.00 C ATOM 16 OG1 THR A 2 31.761 -73.876 -12.703 1.00 0.00 O ATOM 17 CG2 THR A 2 31.882 -71.627 -12.105 1.00 0.00 C ATOM 0 H THR A 2 32.653 -74.165 -15.658 1.00 0.00 H new ATOM 0 HA THR A 2 31.520 -72.432 -14.714 1.00 0.00 H new ATOM 0 HB THR A 2 33.624 -72.808 -12.552 1.00 0.00 H new ATOM 0 HG1 THR A 2 31.724 -74.103 -11.750 1.00 0.00 H new ATOM 0 HG21 THR A 2 31.932 -71.847 -11.039 1.00 0.00 H new ATOM 0 HG22 THR A 2 32.370 -70.672 -12.301 1.00 0.00 H new ATOM 0 HG23 THR A 2 30.839 -71.572 -12.416 1.00 0.00 H new ATOM 25 N VAL A 3 32.353 -70.147 -14.911 1.00 0.00 N ATOM 26 CA VAL A 3 32.816 -68.825 -15.298 1.00 0.00 C ATOM 27 C VAL A 3 31.810 -67.777 -14.818 1.00 0.00 C ATOM 28 O VAL A 3 30.602 -68.003 -14.868 1.00 0.00 O ATOM 29 CB VAL A 3 33.059 -68.775 -16.807 1.00 0.00 C ATOM 30 CG1 VAL A 3 31.744 -68.907 -17.578 1.00 0.00 C ATOM 31 CG2 VAL A 3 33.800 -67.495 -17.202 1.00 0.00 C ATOM 0 H VAL A 3 31.352 -70.211 -14.728 1.00 0.00 H new ATOM 0 HA VAL A 3 33.771 -68.601 -14.823 1.00 0.00 H new ATOM 0 HB VAL A 3 33.691 -69.623 -17.073 1.00 0.00 H new ATOM 0 HG11 VAL A 3 31.945 -68.868 -18.649 1.00 0.00 H new ATOM 0 HG12 VAL A 3 31.271 -69.858 -17.331 1.00 0.00 H new ATOM 0 HG13 VAL A 3 31.078 -68.089 -17.304 1.00 0.00 H new ATOM 0 HG21 VAL A 3 33.960 -67.485 -18.280 1.00 0.00 H new ATOM 0 HG22 VAL A 3 33.206 -66.627 -16.915 1.00 0.00 H new ATOM 0 HG23 VAL A 3 34.763 -67.460 -16.692 1.00 0.00 H new ATOM 41 N VAL A 4 32.345 -66.652 -14.366 1.00 0.00 N ATOM 42 CA VAL A 4 31.509 -65.568 -13.879 1.00 0.00 C ATOM 43 C VAL A 4 31.840 -64.288 -14.649 1.00 0.00 C ATOM 44 O VAL A 4 32.843 -64.228 -15.359 1.00 0.00 O ATOM 45 CB VAL A 4 31.678 -65.417 -12.366 1.00 0.00 C ATOM 46 CG1 VAL A 4 31.150 -66.649 -11.629 1.00 0.00 C ATOM 47 CG2 VAL A 4 33.139 -65.144 -12.002 1.00 0.00 C ATOM 0 H VAL A 4 33.347 -66.468 -14.327 1.00 0.00 H new ATOM 0 HA VAL A 4 30.456 -65.789 -14.055 1.00 0.00 H new ATOM 0 HB VAL A 4 31.087 -64.558 -12.047 1.00 0.00 H new ATOM 0 HG11 VAL A 4 31.282 -66.515 -10.555 1.00 0.00 H new ATOM 0 HG12 VAL A 4 30.091 -66.779 -11.851 1.00 0.00 H new ATOM 0 HG13 VAL A 4 31.700 -67.532 -11.955 1.00 0.00 H new ATOM 0 HG21 VAL A 4 33.231 -65.041 -10.921 1.00 0.00 H new ATOM 0 HG22 VAL A 4 33.760 -65.973 -12.342 1.00 0.00 H new ATOM 0 HG23 VAL A 4 33.468 -64.223 -12.484 1.00 0.00 H new ATOM 57 N SER A 5 30.979 -63.296 -14.482 1.00 0.00 N ATOM 58 CA SER A 5 31.167 -62.021 -15.153 1.00 0.00 C ATOM 59 C SER A 5 30.671 -60.882 -14.260 1.00 0.00 C ATOM 60 O SER A 5 29.877 -61.105 -13.347 1.00 0.00 O ATOM 61 CB SER A 5 30.442 -61.994 -16.499 1.00 0.00 C ATOM 62 OG SER A 5 29.053 -61.711 -16.352 1.00 0.00 O ATOM 0 H SER A 5 30.149 -63.349 -13.892 1.00 0.00 H new ATOM 0 HA SER A 5 32.232 -61.889 -15.343 1.00 0.00 H new ATOM 0 HB2 SER A 5 30.899 -61.242 -17.142 1.00 0.00 H new ATOM 0 HB3 SER A 5 30.565 -62.956 -16.996 1.00 0.00 H new ATOM 0 HG SER A 5 28.626 -61.701 -17.234 1.00 0.00 H new ATOM 68 N GLY A 6 31.160 -59.685 -14.554 1.00 0.00 N ATOM 69 CA GLY A 6 30.777 -58.511 -13.790 1.00 0.00 C ATOM 70 C GLY A 6 29.528 -57.854 -14.383 1.00 0.00 C ATOM 71 O GLY A 6 29.033 -58.281 -15.425 1.00 0.00 O ATOM 0 H GLY A 6 31.819 -59.504 -15.312 1.00 0.00 H new ATOM 0 HA2 GLY A 6 30.587 -58.793 -12.754 1.00 0.00 H new ATOM 0 HA3 GLY A 6 31.599 -57.795 -13.780 1.00 0.00 H new ATOM 75 N GLN A 7 29.055 -56.828 -13.693 1.00 0.00 N ATOM 76 CA GLN A 7 27.874 -56.108 -14.138 1.00 0.00 C ATOM 77 C GLN A 7 27.820 -54.723 -13.489 1.00 0.00 C ATOM 78 O GLN A 7 28.194 -54.563 -12.328 1.00 0.00 O ATOM 79 CB GLN A 7 26.601 -56.903 -13.839 1.00 0.00 C ATOM 80 CG GLN A 7 26.040 -57.537 -15.113 1.00 0.00 C ATOM 81 CD GLN A 7 25.333 -56.494 -15.980 1.00 0.00 C ATOM 82 OE1 GLN A 7 25.186 -55.340 -15.612 1.00 0.00 O ATOM 83 NE2 GLN A 7 24.904 -56.961 -17.149 1.00 0.00 N ATOM 0 H GLN A 7 29.468 -56.478 -12.829 1.00 0.00 H new ATOM 0 HA GLN A 7 27.937 -55.980 -15.219 1.00 0.00 H new ATOM 0 HB2 GLN A 7 26.817 -57.680 -13.106 1.00 0.00 H new ATOM 0 HB3 GLN A 7 25.853 -56.246 -13.396 1.00 0.00 H new ATOM 0 HG2 GLN A 7 26.848 -57.999 -15.680 1.00 0.00 H new ATOM 0 HG3 GLN A 7 25.341 -58.331 -14.851 1.00 0.00 H new ATOM 0 HE21 GLN A 7 25.060 -57.938 -17.396 1.00 0.00 H new ATOM 0 HE22 GLN A 7 24.419 -56.342 -17.799 1.00 0.00 H new ATOM 92 N LYS A 8 27.352 -53.758 -14.267 1.00 0.00 N ATOM 93 CA LYS A 8 27.244 -52.393 -13.782 1.00 0.00 C ATOM 94 C LYS A 8 26.006 -51.734 -14.394 1.00 0.00 C ATOM 95 O LYS A 8 25.362 -52.310 -15.270 1.00 0.00 O ATOM 96 CB LYS A 8 28.542 -51.626 -14.046 1.00 0.00 C ATOM 97 CG LYS A 8 29.355 -51.465 -12.761 1.00 0.00 C ATOM 98 CD LYS A 8 30.843 -51.711 -13.019 1.00 0.00 C ATOM 99 CE LYS A 8 31.333 -52.952 -12.270 1.00 0.00 C ATOM 100 NZ LYS A 8 32.268 -52.570 -11.189 1.00 0.00 N ATOM 0 H LYS A 8 27.043 -53.895 -15.230 1.00 0.00 H new ATOM 0 HA LYS A 8 27.109 -52.384 -12.700 1.00 0.00 H new ATOM 0 HB2 LYS A 8 29.135 -52.154 -14.792 1.00 0.00 H new ATOM 0 HB3 LYS A 8 28.311 -50.644 -14.460 1.00 0.00 H new ATOM 0 HG2 LYS A 8 29.213 -50.462 -12.360 1.00 0.00 H new ATOM 0 HG3 LYS A 8 28.993 -52.164 -12.007 1.00 0.00 H new ATOM 0 HD2 LYS A 8 31.014 -51.836 -14.088 1.00 0.00 H new ATOM 0 HD3 LYS A 8 31.419 -50.841 -12.704 1.00 0.00 H new ATOM 0 HE2 LYS A 8 30.483 -53.490 -11.850 1.00 0.00 H new ATOM 0 HE3 LYS A 8 31.828 -53.631 -12.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 32.591 -53.424 -10.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 33.088 -52.077 -11.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 31.784 -51.940 -10.518 1.00 0.00 H new ATOM 114 N GLN A 9 25.710 -50.538 -13.908 1.00 0.00 N ATOM 115 CA GLN A 9 24.560 -49.796 -14.397 1.00 0.00 C ATOM 116 C GLN A 9 24.917 -48.319 -14.571 1.00 0.00 C ATOM 117 O GLN A 9 25.645 -47.752 -13.758 1.00 0.00 O ATOM 118 CB GLN A 9 23.362 -49.963 -13.461 1.00 0.00 C ATOM 119 CG GLN A 9 22.437 -51.081 -13.948 1.00 0.00 C ATOM 120 CD GLN A 9 22.330 -52.197 -12.907 1.00 0.00 C ATOM 121 OE1 GLN A 9 22.248 -51.962 -11.713 1.00 0.00 O ATOM 122 NE2 GLN A 9 22.339 -53.421 -13.425 1.00 0.00 N ATOM 0 H GLN A 9 26.246 -50.064 -13.181 1.00 0.00 H new ATOM 0 HA GLN A 9 24.279 -50.199 -15.370 1.00 0.00 H new ATOM 0 HB2 GLN A 9 23.712 -50.189 -12.454 1.00 0.00 H new ATOM 0 HB3 GLN A 9 22.807 -49.026 -13.404 1.00 0.00 H new ATOM 0 HG2 GLN A 9 21.447 -50.675 -14.154 1.00 0.00 H new ATOM 0 HG3 GLN A 9 22.815 -51.488 -14.885 1.00 0.00 H new ATOM 0 HE21 GLN A 9 22.410 -53.547 -14.435 1.00 0.00 H new ATOM 0 HE22 GLN A 9 22.275 -54.234 -12.813 1.00 0.00 H new ATOM 131 N ASP A 10 24.388 -47.736 -15.638 1.00 0.00 N ATOM 132 CA ASP A 10 24.642 -46.336 -15.930 1.00 0.00 C ATOM 133 C ASP A 10 23.315 -45.629 -16.210 1.00 0.00 C ATOM 134 O ASP A 10 22.348 -46.261 -16.631 1.00 0.00 O ATOM 135 CB ASP A 10 25.530 -46.183 -17.167 1.00 0.00 C ATOM 136 CG ASP A 10 24.893 -46.645 -18.480 1.00 0.00 C ATOM 137 OD1 ASP A 10 23.811 -47.263 -18.399 1.00 0.00 O ATOM 138 OD2 ASP A 10 25.505 -46.367 -19.535 1.00 0.00 O ATOM 0 H ASP A 10 23.784 -48.209 -16.311 1.00 0.00 H new ATOM 0 HA ASP A 10 25.146 -45.898 -15.068 1.00 0.00 H new ATOM 0 HB2 ASP A 10 25.812 -45.135 -17.266 1.00 0.00 H new ATOM 0 HB3 ASP A 10 26.449 -46.747 -17.008 1.00 0.00 H new ATOM 143 N ARG A 11 23.311 -44.327 -15.964 1.00 0.00 N ATOM 144 CA ARG A 11 22.118 -43.527 -16.185 1.00 0.00 C ATOM 145 C ARG A 11 22.125 -42.942 -17.599 1.00 0.00 C ATOM 146 O ARG A 11 23.187 -42.688 -18.164 1.00 0.00 O ATOM 147 CB ARG A 11 22.023 -42.387 -15.169 1.00 0.00 C ATOM 148 CG ARG A 11 20.615 -42.293 -14.580 1.00 0.00 C ATOM 149 CD ARG A 11 20.470 -43.201 -13.358 1.00 0.00 C ATOM 150 NE ARG A 11 19.344 -42.740 -12.515 1.00 0.00 N ATOM 151 CZ ARG A 11 19.334 -41.580 -11.844 1.00 0.00 C ATOM 152 NH1 ARG A 11 20.389 -40.758 -11.913 1.00 0.00 N ATOM 153 NH2 ARG A 11 18.269 -41.244 -11.104 1.00 0.00 N ATOM 0 H ARG A 11 24.115 -43.806 -15.614 1.00 0.00 H new ATOM 0 HA ARG A 11 21.254 -44.180 -16.063 1.00 0.00 H new ATOM 0 HB2 ARG A 11 22.746 -42.547 -14.369 1.00 0.00 H new ATOM 0 HB3 ARG A 11 22.284 -41.444 -15.650 1.00 0.00 H new ATOM 0 HG2 ARG A 11 20.403 -41.262 -14.298 1.00 0.00 H new ATOM 0 HG3 ARG A 11 19.881 -42.574 -15.336 1.00 0.00 H new ATOM 0 HD2 ARG A 11 20.299 -44.229 -13.677 1.00 0.00 H new ATOM 0 HD3 ARG A 11 21.394 -43.196 -12.780 1.00 0.00 H new ATOM 0 HE ARG A 11 18.525 -43.343 -12.440 1.00 0.00 H new ATOM 0 HH11 ARG A 11 21.200 -41.015 -12.476 1.00 0.00 H new ATOM 0 HH12 ARG A 11 20.382 -39.875 -11.402 1.00 0.00 H new ATOM 0 HH21 ARG A 11 17.466 -41.871 -11.051 1.00 0.00 H new ATOM 0 HH22 ARG A 11 18.261 -40.361 -10.593 1.00 0.00 H new ATOM 167 N GLN A 12 20.928 -42.747 -18.130 1.00 0.00 N ATOM 168 CA GLN A 12 20.782 -42.197 -19.467 1.00 0.00 C ATOM 169 C GLN A 12 21.060 -40.692 -19.455 1.00 0.00 C ATOM 170 O GLN A 12 21.975 -40.222 -20.127 1.00 0.00 O ATOM 171 CB GLN A 12 19.392 -42.493 -20.034 1.00 0.00 C ATOM 172 CG GLN A 12 19.491 -43.260 -21.354 1.00 0.00 C ATOM 173 CD GLN A 12 18.583 -42.638 -22.418 1.00 0.00 C ATOM 174 OE1 GLN A 12 17.404 -42.937 -22.516 1.00 0.00 O ATOM 175 NE2 GLN A 12 19.196 -41.761 -23.207 1.00 0.00 N ATOM 0 H GLN A 12 20.049 -42.960 -17.658 1.00 0.00 H new ATOM 0 HA GLN A 12 21.513 -42.677 -20.118 1.00 0.00 H new ATOM 0 HB2 GLN A 12 18.818 -43.075 -19.313 1.00 0.00 H new ATOM 0 HB3 GLN A 12 18.853 -41.559 -20.191 1.00 0.00 H new ATOM 0 HG2 GLN A 12 20.523 -43.257 -21.704 1.00 0.00 H new ATOM 0 HG3 GLN A 12 19.211 -44.302 -21.196 1.00 0.00 H new ATOM 0 HE21 GLN A 12 20.186 -41.557 -23.070 1.00 0.00 H new ATOM 0 HE22 GLN A 12 18.676 -41.292 -23.949 1.00 0.00 H new ATOM 184 N GLY A 13 20.252 -39.980 -18.684 1.00 0.00 N ATOM 185 CA GLY A 13 20.400 -38.538 -18.575 1.00 0.00 C ATOM 186 C GLY A 13 20.553 -37.897 -19.956 1.00 0.00 C ATOM 187 O GLY A 13 20.354 -38.557 -20.975 1.00 0.00 O ATOM 0 H GLY A 13 19.493 -40.374 -18.129 1.00 0.00 H new ATOM 0 HA2 GLY A 13 19.531 -38.117 -18.069 1.00 0.00 H new ATOM 0 HA3 GLY A 13 21.271 -38.303 -17.963 1.00 0.00 H new ATOM 191 N GLY A 14 20.905 -36.620 -19.944 1.00 0.00 N ATOM 192 CA GLY A 14 21.088 -35.883 -21.182 1.00 0.00 C ATOM 193 C GLY A 14 20.599 -34.440 -21.039 1.00 0.00 C ATOM 194 O GLY A 14 19.465 -34.126 -21.394 1.00 0.00 O ATOM 0 H GLY A 14 21.068 -36.077 -19.096 1.00 0.00 H new ATOM 0 HA2 GLY A 14 22.142 -35.888 -21.460 1.00 0.00 H new ATOM 0 HA3 GLY A 14 20.544 -36.377 -21.987 1.00 0.00 H new ATOM 198 N GLU A 15 21.482 -33.600 -20.518 1.00 0.00 N ATOM 199 CA GLU A 15 21.155 -32.198 -20.323 1.00 0.00 C ATOM 200 C GLU A 15 21.739 -31.354 -21.457 1.00 0.00 C ATOM 201 O GLU A 15 22.946 -31.377 -21.695 1.00 0.00 O ATOM 202 CB GLU A 15 21.649 -31.704 -18.961 1.00 0.00 C ATOM 203 CG GLU A 15 20.474 -31.385 -18.035 1.00 0.00 C ATOM 204 CD GLU A 15 20.749 -31.877 -16.612 1.00 0.00 C ATOM 205 OE1 GLU A 15 20.077 -32.852 -16.209 1.00 0.00 O ATOM 206 OE2 GLU A 15 21.625 -31.269 -15.961 1.00 0.00 O ATOM 0 H GLU A 15 22.423 -33.864 -20.225 1.00 0.00 H new ATOM 0 HA GLU A 15 20.070 -32.092 -20.339 1.00 0.00 H new ATOM 0 HB2 GLU A 15 22.282 -32.463 -18.502 1.00 0.00 H new ATOM 0 HB3 GLU A 15 22.264 -30.814 -19.094 1.00 0.00 H new ATOM 0 HG2 GLU A 15 20.296 -30.310 -18.024 1.00 0.00 H new ATOM 0 HG3 GLU A 15 19.567 -31.854 -18.417 1.00 0.00 H new ATOM 213 N ARG A 16 20.857 -30.629 -22.128 1.00 0.00 N ATOM 214 CA ARG A 16 21.270 -29.780 -23.232 1.00 0.00 C ATOM 215 C ARG A 16 22.065 -28.581 -22.711 1.00 0.00 C ATOM 216 O ARG A 16 21.544 -27.773 -21.943 1.00 0.00 O ATOM 217 CB ARG A 16 20.061 -29.276 -24.023 1.00 0.00 C ATOM 218 CG ARG A 16 20.498 -28.602 -25.325 1.00 0.00 C ATOM 219 CD ARG A 16 20.657 -29.630 -26.448 1.00 0.00 C ATOM 220 NE ARG A 16 21.895 -30.416 -26.243 1.00 0.00 N ATOM 221 CZ ARG A 16 22.110 -31.629 -26.770 1.00 0.00 C ATOM 222 NH1 ARG A 16 21.173 -32.202 -27.537 1.00 0.00 N ATOM 223 NH2 ARG A 16 23.263 -32.267 -26.532 1.00 0.00 N ATOM 0 H ARG A 16 19.857 -30.612 -21.928 1.00 0.00 H new ATOM 0 HA ARG A 16 21.898 -30.378 -23.892 1.00 0.00 H new ATOM 0 HB2 ARG A 16 19.396 -30.110 -24.247 1.00 0.00 H new ATOM 0 HB3 ARG A 16 19.494 -28.570 -23.416 1.00 0.00 H new ATOM 0 HG2 ARG A 16 19.762 -27.852 -25.615 1.00 0.00 H new ATOM 0 HG3 ARG A 16 21.442 -28.079 -25.169 1.00 0.00 H new ATOM 0 HD2 ARG A 16 19.793 -30.295 -26.469 1.00 0.00 H new ATOM 0 HD3 ARG A 16 20.693 -29.124 -27.413 1.00 0.00 H new ATOM 0 HE ARG A 16 22.630 -30.009 -25.665 1.00 0.00 H new ATOM 0 HH11 ARG A 16 20.296 -31.715 -27.720 1.00 0.00 H new ATOM 0 HH12 ARG A 16 21.337 -33.125 -27.938 1.00 0.00 H new ATOM 0 HH21 ARG A 16 23.977 -31.830 -25.950 1.00 0.00 H new ATOM 0 HH22 ARG A 16 23.427 -33.190 -26.933 1.00 0.00 H new ATOM 237 N ARG A 17 23.312 -28.503 -23.148 1.00 0.00 N ATOM 238 CA ARG A 17 24.184 -27.416 -22.734 1.00 0.00 C ATOM 239 C ARG A 17 24.346 -27.414 -21.213 1.00 0.00 C ATOM 240 O ARG A 17 23.395 -27.139 -20.485 1.00 0.00 O ATOM 241 CB ARG A 17 23.628 -26.063 -23.182 1.00 0.00 C ATOM 242 CG ARG A 17 24.737 -25.012 -23.258 1.00 0.00 C ATOM 243 CD ARG A 17 25.317 -24.927 -24.672 1.00 0.00 C ATOM 244 NE ARG A 17 26.549 -24.107 -24.665 1.00 0.00 N ATOM 245 CZ ARG A 17 26.560 -22.768 -24.715 1.00 0.00 C ATOM 246 NH1 ARG A 17 25.405 -22.090 -24.775 1.00 0.00 N ATOM 247 NH2 ARG A 17 27.725 -22.107 -24.704 1.00 0.00 N ATOM 0 H ARG A 17 23.741 -29.175 -23.785 1.00 0.00 H new ATOM 0 HA ARG A 17 25.154 -27.572 -23.206 1.00 0.00 H new ATOM 0 HB2 ARG A 17 23.153 -26.166 -24.157 1.00 0.00 H new ATOM 0 HB3 ARG A 17 22.857 -25.734 -22.485 1.00 0.00 H new ATOM 0 HG2 ARG A 17 24.342 -24.040 -22.964 1.00 0.00 H new ATOM 0 HG3 ARG A 17 25.528 -25.261 -22.551 1.00 0.00 H new ATOM 0 HD2 ARG A 17 25.538 -25.927 -25.044 1.00 0.00 H new ATOM 0 HD3 ARG A 17 24.583 -24.490 -25.349 1.00 0.00 H new ATOM 0 HE ARG A 17 27.446 -24.591 -24.619 1.00 0.00 H new ATOM 0 HH11 ARG A 17 24.518 -22.593 -24.783 1.00 0.00 H new ATOM 0 HH12 ARG A 17 25.413 -21.071 -24.813 1.00 0.00 H new ATOM 0 HH21 ARG A 17 28.604 -22.623 -24.658 1.00 0.00 H new ATOM 0 HH22 ARG A 17 27.733 -21.088 -24.742 1.00 0.00 H new ATOM 261 N ARG A 18 25.558 -27.727 -20.779 1.00 0.00 N ATOM 262 CA ARG A 18 25.857 -27.765 -19.358 1.00 0.00 C ATOM 263 C ARG A 18 26.934 -26.734 -19.014 1.00 0.00 C ATOM 264 O ARG A 18 28.110 -27.076 -18.896 1.00 0.00 O ATOM 265 CB ARG A 18 26.336 -29.154 -18.933 1.00 0.00 C ATOM 266 CG ARG A 18 25.344 -30.234 -19.370 1.00 0.00 C ATOM 267 CD ARG A 18 26.059 -31.369 -20.108 1.00 0.00 C ATOM 268 NE ARG A 18 25.639 -31.393 -21.527 1.00 0.00 N ATOM 269 CZ ARG A 18 26.211 -30.660 -22.492 1.00 0.00 C ATOM 270 NH1 ARG A 18 27.230 -29.841 -22.197 1.00 0.00 N ATOM 271 NH2 ARG A 18 25.764 -30.747 -23.753 1.00 0.00 N ATOM 0 H ARG A 18 26.344 -27.957 -21.387 1.00 0.00 H new ATOM 0 HA ARG A 18 24.939 -27.529 -18.820 1.00 0.00 H new ATOM 0 HB2 ARG A 18 27.314 -29.355 -19.371 1.00 0.00 H new ATOM 0 HB3 ARG A 18 26.459 -29.185 -17.850 1.00 0.00 H new ATOM 0 HG2 ARG A 18 24.826 -30.632 -18.497 1.00 0.00 H new ATOM 0 HG3 ARG A 18 24.585 -29.795 -20.018 1.00 0.00 H new ATOM 0 HD2 ARG A 18 27.139 -31.234 -20.042 1.00 0.00 H new ATOM 0 HD3 ARG A 18 25.828 -32.324 -19.635 1.00 0.00 H new ATOM 0 HE ARG A 18 24.866 -32.006 -21.787 1.00 0.00 H new ATOM 0 HH11 ARG A 18 27.570 -29.775 -21.238 1.00 0.00 H new ATOM 0 HH12 ARG A 18 27.665 -29.283 -22.932 1.00 0.00 H new ATOM 0 HH21 ARG A 18 24.989 -31.371 -23.977 1.00 0.00 H new ATOM 0 HH22 ARG A 18 26.199 -30.189 -24.488 1.00 0.00 H new ATOM 285 N SER A 19 26.493 -25.494 -18.862 1.00 0.00 N ATOM 286 CA SER A 19 27.406 -24.411 -18.533 1.00 0.00 C ATOM 287 C SER A 19 28.728 -24.596 -19.280 1.00 0.00 C ATOM 288 O SER A 19 28.758 -25.184 -20.360 1.00 0.00 O ATOM 289 CB SER A 19 27.653 -24.339 -17.025 1.00 0.00 C ATOM 290 OG SER A 19 27.663 -22.995 -16.551 1.00 0.00 O ATOM 0 H SER A 19 25.517 -25.215 -18.960 1.00 0.00 H new ATOM 0 HA SER A 19 26.949 -23.471 -18.844 1.00 0.00 H new ATOM 0 HB2 SER A 19 26.879 -24.902 -16.503 1.00 0.00 H new ATOM 0 HB3 SER A 19 28.606 -24.814 -16.790 1.00 0.00 H new ATOM 0 HG SER A 19 27.822 -22.990 -15.584 1.00 0.00 H new ATOM 296 N GLN A 20 29.789 -24.082 -18.675 1.00 0.00 N ATOM 297 CA GLN A 20 31.111 -24.184 -19.270 1.00 0.00 C ATOM 298 C GLN A 20 31.813 -25.456 -18.791 1.00 0.00 C ATOM 299 O GLN A 20 33.026 -25.460 -18.585 1.00 0.00 O ATOM 300 CB GLN A 20 31.949 -22.944 -18.957 1.00 0.00 C ATOM 301 CG GLN A 20 31.795 -21.885 -20.051 1.00 0.00 C ATOM 302 CD GLN A 20 32.146 -20.494 -19.521 1.00 0.00 C ATOM 303 OE1 GLN A 20 32.130 -20.232 -18.329 1.00 0.00 O ATOM 304 NE2 GLN A 20 32.463 -19.618 -20.470 1.00 0.00 N ATOM 0 H GLN A 20 29.760 -23.594 -17.780 1.00 0.00 H new ATOM 0 HA GLN A 20 30.997 -24.242 -20.353 1.00 0.00 H new ATOM 0 HB2 GLN A 20 31.643 -22.527 -17.997 1.00 0.00 H new ATOM 0 HB3 GLN A 20 32.998 -23.224 -18.863 1.00 0.00 H new ATOM 0 HG2 GLN A 20 32.441 -22.131 -20.894 1.00 0.00 H new ATOM 0 HG3 GLN A 20 30.771 -21.888 -20.424 1.00 0.00 H new ATOM 0 HE21 GLN A 20 32.457 -19.903 -21.449 1.00 0.00 H new ATOM 0 HE22 GLN A 20 32.712 -18.662 -20.218 1.00 0.00 H new ATOM 313 N LEU A 21 31.021 -26.506 -18.627 1.00 0.00 N ATOM 314 CA LEU A 21 31.551 -27.780 -18.175 1.00 0.00 C ATOM 315 C LEU A 21 32.543 -28.312 -19.212 1.00 0.00 C ATOM 316 O LEU A 21 32.184 -29.130 -20.057 1.00 0.00 O ATOM 317 CB LEU A 21 30.412 -28.752 -17.860 1.00 0.00 C ATOM 318 CG LEU A 21 30.666 -29.735 -16.715 1.00 0.00 C ATOM 319 CD1 LEU A 21 29.987 -31.079 -16.984 1.00 0.00 C ATOM 320 CD2 LEU A 21 32.166 -29.894 -16.452 1.00 0.00 C ATOM 0 H LEU A 21 30.016 -26.500 -18.799 1.00 0.00 H new ATOM 0 HA LEU A 21 32.101 -27.654 -17.242 1.00 0.00 H new ATOM 0 HB2 LEU A 21 29.521 -28.171 -17.623 1.00 0.00 H new ATOM 0 HB3 LEU A 21 30.189 -29.324 -18.761 1.00 0.00 H new ATOM 0 HG LEU A 21 30.220 -29.325 -15.809 1.00 0.00 H new ATOM 0 HD11 LEU A 21 30.184 -31.758 -16.155 1.00 0.00 H new ATOM 0 HD12 LEU A 21 28.912 -30.930 -17.084 1.00 0.00 H new ATOM 0 HD13 LEU A 21 30.381 -31.508 -17.906 1.00 0.00 H new ATOM 0 HD21 LEU A 21 32.319 -30.598 -15.634 1.00 0.00 H new ATOM 0 HD22 LEU A 21 32.655 -30.270 -17.351 1.00 0.00 H new ATOM 0 HD23 LEU A 21 32.593 -28.928 -16.184 1.00 0.00 H new ATOM 332 N ASP A 22 33.771 -27.822 -19.114 1.00 0.00 N ATOM 333 CA ASP A 22 34.817 -28.237 -20.033 1.00 0.00 C ATOM 334 C ASP A 22 35.071 -29.736 -19.865 1.00 0.00 C ATOM 335 O ASP A 22 34.713 -30.321 -18.844 1.00 0.00 O ATOM 336 CB ASP A 22 36.126 -27.501 -19.745 1.00 0.00 C ATOM 337 CG ASP A 22 36.844 -26.952 -20.980 1.00 0.00 C ATOM 338 OD1 ASP A 22 37.676 -26.037 -20.793 1.00 0.00 O ATOM 339 OD2 ASP A 22 36.546 -27.460 -22.082 1.00 0.00 O ATOM 0 H ASP A 22 34.064 -27.142 -18.413 1.00 0.00 H new ATOM 0 HA ASP A 22 34.488 -28.005 -21.046 1.00 0.00 H new ATOM 0 HB2 ASP A 22 35.919 -26.674 -19.066 1.00 0.00 H new ATOM 0 HB3 ASP A 22 36.800 -28.180 -19.223 1.00 0.00 H new ATOM 344 N ARG A 23 35.688 -30.317 -20.884 1.00 0.00 N ATOM 345 CA ARG A 23 35.995 -31.737 -20.863 1.00 0.00 C ATOM 346 C ARG A 23 37.044 -32.037 -19.790 1.00 0.00 C ATOM 347 O ARG A 23 37.326 -33.199 -19.501 1.00 0.00 O ATOM 348 CB ARG A 23 36.515 -32.209 -22.222 1.00 0.00 C ATOM 349 CG ARG A 23 35.362 -32.448 -23.198 1.00 0.00 C ATOM 350 CD ARG A 23 34.523 -33.653 -22.770 1.00 0.00 C ATOM 351 NE ARG A 23 34.892 -34.839 -23.576 1.00 0.00 N ATOM 352 CZ ARG A 23 34.373 -36.060 -23.396 1.00 0.00 C ATOM 353 NH1 ARG A 23 33.459 -36.267 -22.437 1.00 0.00 N ATOM 354 NH2 ARG A 23 34.767 -37.077 -24.175 1.00 0.00 N ATOM 0 H ARG A 23 35.984 -29.830 -21.730 1.00 0.00 H new ATOM 0 HA ARG A 23 35.073 -32.272 -20.635 1.00 0.00 H new ATOM 0 HB2 ARG A 23 37.196 -31.464 -22.634 1.00 0.00 H new ATOM 0 HB3 ARG A 23 37.087 -33.129 -22.097 1.00 0.00 H new ATOM 0 HG2 ARG A 23 34.732 -31.560 -23.246 1.00 0.00 H new ATOM 0 HG3 ARG A 23 35.757 -32.613 -24.200 1.00 0.00 H new ATOM 0 HD2 ARG A 23 34.681 -33.859 -21.711 1.00 0.00 H new ATOM 0 HD3 ARG A 23 33.463 -33.432 -22.897 1.00 0.00 H new ATOM 0 HE ARG A 23 35.585 -34.718 -24.315 1.00 0.00 H new ATOM 0 HH11 ARG A 23 33.158 -35.494 -21.844 1.00 0.00 H new ATOM 0 HH12 ARG A 23 33.064 -37.198 -22.301 1.00 0.00 H new ATOM 0 HH21 ARG A 23 35.462 -36.921 -24.905 1.00 0.00 H new ATOM 0 HH22 ARG A 23 34.372 -38.007 -24.038 1.00 0.00 H new ATOM 368 N ASP A 24 37.594 -30.970 -19.231 1.00 0.00 N ATOM 369 CA ASP A 24 38.606 -31.105 -18.197 1.00 0.00 C ATOM 370 C ASP A 24 38.202 -30.268 -16.981 1.00 0.00 C ATOM 371 O ASP A 24 39.052 -29.871 -16.186 1.00 0.00 O ATOM 372 CB ASP A 24 39.965 -30.600 -18.687 1.00 0.00 C ATOM 373 CG ASP A 24 40.647 -31.489 -19.730 1.00 0.00 C ATOM 374 OD1 ASP A 24 41.744 -31.996 -19.414 1.00 0.00 O ATOM 375 OD2 ASP A 24 40.055 -31.640 -20.821 1.00 0.00 O ATOM 0 H ASP A 24 37.358 -30.008 -19.474 1.00 0.00 H new ATOM 0 HA ASP A 24 38.685 -32.161 -17.939 1.00 0.00 H new ATOM 0 HB2 ASP A 24 39.835 -29.604 -19.110 1.00 0.00 H new ATOM 0 HB3 ASP A 24 40.629 -30.498 -17.829 1.00 0.00 H new ATOM 380 N GLN A 25 36.904 -30.024 -16.876 1.00 0.00 N ATOM 381 CA GLN A 25 36.377 -29.242 -15.771 1.00 0.00 C ATOM 382 C GLN A 25 35.466 -30.105 -14.897 1.00 0.00 C ATOM 383 O GLN A 25 34.454 -30.621 -15.368 1.00 0.00 O ATOM 384 CB GLN A 25 35.636 -28.003 -16.280 1.00 0.00 C ATOM 385 CG GLN A 25 36.184 -26.731 -15.631 1.00 0.00 C ATOM 386 CD GLN A 25 35.934 -25.511 -16.521 1.00 0.00 C ATOM 387 OE1 GLN A 25 34.811 -25.183 -16.866 1.00 0.00 O ATOM 388 NE2 GLN A 25 37.040 -24.859 -16.869 1.00 0.00 N ATOM 0 H GLN A 25 36.202 -30.354 -17.538 1.00 0.00 H new ATOM 0 HA GLN A 25 37.214 -28.900 -15.162 1.00 0.00 H new ATOM 0 HB2 GLN A 25 35.736 -27.935 -17.363 1.00 0.00 H new ATOM 0 HB3 GLN A 25 34.572 -28.097 -16.063 1.00 0.00 H new ATOM 0 HG2 GLN A 25 35.711 -26.581 -14.660 1.00 0.00 H new ATOM 0 HG3 GLN A 25 37.253 -26.842 -15.451 1.00 0.00 H new ATOM 0 HE21 GLN A 25 37.949 -25.188 -16.545 1.00 0.00 H new ATOM 0 HE22 GLN A 25 36.979 -24.030 -17.460 1.00 0.00 H new ATOM 397 N CYS A 26 35.856 -30.235 -13.637 1.00 0.00 N ATOM 398 CA CYS A 26 35.088 -31.027 -12.693 1.00 0.00 C ATOM 399 C CYS A 26 33.652 -30.497 -12.679 1.00 0.00 C ATOM 400 O CYS A 26 33.430 -29.293 -12.790 1.00 0.00 O ATOM 401 CB CYS A 26 35.716 -31.011 -11.297 1.00 0.00 C ATOM 402 SG CYS A 26 34.893 -32.245 -10.226 1.00 0.00 S ATOM 0 H CYS A 26 36.695 -29.804 -13.248 1.00 0.00 H new ATOM 0 HA CYS A 26 35.087 -32.071 -13.006 1.00 0.00 H new ATOM 0 HB2 CYS A 26 36.781 -31.230 -11.366 1.00 0.00 H new ATOM 0 HB3 CYS A 26 35.623 -30.017 -10.859 1.00 0.00 H new ATOM 407 N ALA A 27 32.715 -31.423 -12.541 1.00 0.00 N ATOM 408 CA ALA A 27 31.307 -31.065 -12.512 1.00 0.00 C ATOM 409 C ALA A 27 30.792 -31.159 -11.073 1.00 0.00 C ATOM 410 O ALA A 27 29.588 -31.263 -10.848 1.00 0.00 O ATOM 411 CB ALA A 27 30.529 -31.970 -13.469 1.00 0.00 C ATOM 0 H ALA A 27 32.903 -32.421 -12.448 1.00 0.00 H new ATOM 0 HA ALA A 27 31.165 -30.038 -12.848 1.00 0.00 H new ATOM 0 HB1 ALA A 27 29.473 -31.701 -13.447 1.00 0.00 H new ATOM 0 HB2 ALA A 27 30.914 -31.846 -14.481 1.00 0.00 H new ATOM 0 HB3 ALA A 27 30.645 -33.009 -13.162 1.00 0.00 H new ATOM 417 N TYR A 28 31.730 -31.118 -10.139 1.00 0.00 N ATOM 418 CA TYR A 28 31.386 -31.198 -8.730 1.00 0.00 C ATOM 419 C TYR A 28 31.973 -30.016 -7.955 1.00 0.00 C ATOM 420 O TYR A 28 31.254 -29.321 -7.238 1.00 0.00 O ATOM 421 CB TYR A 28 32.016 -32.493 -8.213 1.00 0.00 C ATOM 422 CG TYR A 28 31.428 -32.986 -6.889 1.00 0.00 C ATOM 423 CD1 TYR A 28 30.432 -33.942 -6.890 1.00 0.00 C ATOM 424 CD2 TYR A 28 31.894 -32.476 -5.695 1.00 0.00 C ATOM 425 CE1 TYR A 28 29.879 -34.406 -5.644 1.00 0.00 C ATOM 426 CE2 TYR A 28 31.341 -32.940 -4.449 1.00 0.00 C ATOM 427 CZ TYR A 28 30.361 -33.882 -4.485 1.00 0.00 C ATOM 428 OH TYR A 28 29.838 -34.321 -3.309 1.00 0.00 O ATOM 0 H TYR A 28 32.728 -31.030 -10.330 1.00 0.00 H new ATOM 0 HA TYR A 28 30.304 -31.178 -8.598 1.00 0.00 H new ATOM 0 HB2 TYR A 28 31.892 -33.271 -8.966 1.00 0.00 H new ATOM 0 HB3 TYR A 28 33.088 -32.339 -8.088 1.00 0.00 H new ATOM 0 HD1 TYR A 28 30.068 -34.342 -7.825 1.00 0.00 H new ATOM 0 HD2 TYR A 28 32.674 -31.729 -5.695 1.00 0.00 H new ATOM 0 HE1 TYR A 28 29.099 -35.153 -5.630 1.00 0.00 H new ATOM 0 HE2 TYR A 28 31.697 -32.549 -3.507 1.00 0.00 H new ATOM 0 HH TYR A 28 30.278 -33.861 -2.564 1.00 0.00 H new ATOM 438 N CYS A 29 33.272 -29.824 -8.126 1.00 0.00 N ATOM 439 CA CYS A 29 33.964 -28.738 -7.452 1.00 0.00 C ATOM 440 C CYS A 29 34.346 -27.689 -8.498 1.00 0.00 C ATOM 441 O CYS A 29 34.664 -26.552 -8.154 1.00 0.00 O ATOM 442 CB CYS A 29 35.183 -29.240 -6.674 1.00 0.00 C ATOM 443 SG CYS A 29 36.439 -29.893 -7.834 1.00 0.00 S ATOM 0 H CYS A 29 33.864 -30.402 -8.722 1.00 0.00 H new ATOM 0 HA CYS A 29 33.304 -28.287 -6.711 1.00 0.00 H new ATOM 0 HB2 CYS A 29 35.608 -28.428 -6.084 1.00 0.00 H new ATOM 0 HB3 CYS A 29 34.882 -30.019 -5.974 1.00 0.00 H new ATOM 448 N LYS A 30 34.303 -28.109 -9.754 1.00 0.00 N ATOM 449 CA LYS A 30 34.641 -27.221 -10.853 1.00 0.00 C ATOM 450 C LYS A 30 36.120 -27.390 -11.204 1.00 0.00 C ATOM 451 O LYS A 30 36.514 -27.201 -12.354 1.00 0.00 O ATOM 452 CB LYS A 30 34.250 -25.780 -10.516 1.00 0.00 C ATOM 453 CG LYS A 30 32.880 -25.728 -9.836 1.00 0.00 C ATOM 454 CD LYS A 30 31.902 -24.869 -10.640 1.00 0.00 C ATOM 455 CE LYS A 30 30.905 -25.742 -11.404 1.00 0.00 C ATOM 456 NZ LYS A 30 29.896 -24.901 -12.087 1.00 0.00 N ATOM 0 H LYS A 30 34.039 -29.053 -10.035 1.00 0.00 H new ATOM 0 HA LYS A 30 34.070 -27.483 -11.744 1.00 0.00 H new ATOM 0 HB2 LYS A 30 35.002 -25.339 -9.861 1.00 0.00 H new ATOM 0 HB3 LYS A 30 34.231 -25.182 -11.427 1.00 0.00 H new ATOM 0 HG2 LYS A 30 32.483 -26.738 -9.732 1.00 0.00 H new ATOM 0 HG3 LYS A 30 32.984 -25.322 -8.830 1.00 0.00 H new ATOM 0 HD2 LYS A 30 31.364 -24.199 -9.969 1.00 0.00 H new ATOM 0 HD3 LYS A 30 32.454 -24.243 -11.341 1.00 0.00 H new ATOM 0 HE2 LYS A 30 31.434 -26.353 -12.136 1.00 0.00 H new ATOM 0 HE3 LYS A 30 30.410 -26.427 -10.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 29.227 -25.510 -12.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 29.380 -24.337 -11.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 30.371 -24.265 -12.759 1.00 0.00 H new ATOM 470 N GLU A 31 36.898 -27.746 -10.193 1.00 0.00 N ATOM 471 CA GLU A 31 38.326 -27.944 -10.381 1.00 0.00 C ATOM 472 C GLU A 31 38.598 -28.583 -11.743 1.00 0.00 C ATOM 473 O GLU A 31 37.999 -29.602 -12.086 1.00 0.00 O ATOM 474 CB GLU A 31 38.915 -28.791 -9.251 1.00 0.00 C ATOM 475 CG GLU A 31 38.765 -28.085 -7.901 1.00 0.00 C ATOM 476 CD GLU A 31 39.955 -27.164 -7.628 1.00 0.00 C ATOM 477 OE1 GLU A 31 40.926 -27.658 -7.015 1.00 0.00 O ATOM 478 OE2 GLU A 31 39.868 -25.986 -8.039 1.00 0.00 O ATOM 0 H GLU A 31 36.567 -27.903 -9.241 1.00 0.00 H new ATOM 0 HA GLU A 31 38.815 -26.970 -10.354 1.00 0.00 H new ATOM 0 HB2 GLU A 31 38.414 -29.758 -9.217 1.00 0.00 H new ATOM 0 HB3 GLU A 31 39.969 -28.985 -9.449 1.00 0.00 H new ATOM 0 HG2 GLU A 31 37.842 -27.505 -7.891 1.00 0.00 H new ATOM 0 HG3 GLU A 31 38.685 -28.826 -7.106 1.00 0.00 H new ATOM 485 N LYS A 32 39.502 -27.959 -12.484 1.00 0.00 N ATOM 486 CA LYS A 32 39.861 -28.453 -13.802 1.00 0.00 C ATOM 487 C LYS A 32 41.099 -29.346 -13.688 1.00 0.00 C ATOM 488 O LYS A 32 42.068 -28.986 -13.021 1.00 0.00 O ATOM 489 CB LYS A 32 40.028 -27.292 -14.784 1.00 0.00 C ATOM 490 CG LYS A 32 41.235 -26.429 -14.411 1.00 0.00 C ATOM 491 CD LYS A 32 40.801 -25.010 -14.037 1.00 0.00 C ATOM 492 CE LYS A 32 41.934 -24.254 -13.341 1.00 0.00 C ATOM 493 NZ LYS A 32 42.307 -24.927 -12.077 1.00 0.00 N ATOM 0 H LYS A 32 39.997 -27.115 -12.196 1.00 0.00 H new ATOM 0 HA LYS A 32 39.059 -29.069 -14.208 1.00 0.00 H new ATOM 0 HB2 LYS A 32 40.153 -27.681 -15.795 1.00 0.00 H new ATOM 0 HB3 LYS A 32 39.126 -26.680 -14.787 1.00 0.00 H new ATOM 0 HG2 LYS A 32 41.766 -26.883 -13.574 1.00 0.00 H new ATOM 0 HG3 LYS A 32 41.932 -26.391 -15.248 1.00 0.00 H new ATOM 0 HD2 LYS A 32 40.497 -24.471 -14.934 1.00 0.00 H new ATOM 0 HD3 LYS A 32 39.931 -25.053 -13.381 1.00 0.00 H new ATOM 0 HE2 LYS A 32 42.801 -24.199 -14.000 1.00 0.00 H new ATOM 0 HE3 LYS A 32 41.623 -23.229 -13.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 42.735 -24.236 -11.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 41.457 -25.335 -11.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 42.991 -25.685 -12.276 1.00 0.00 H new ATOM 507 N GLY A 33 41.026 -30.492 -14.348 1.00 0.00 N ATOM 508 CA GLY A 33 42.128 -31.438 -14.329 1.00 0.00 C ATOM 509 C GLY A 33 41.629 -32.857 -14.052 1.00 0.00 C ATOM 510 O GLY A 33 42.021 -33.801 -14.735 1.00 0.00 O ATOM 0 H GLY A 33 40.220 -30.787 -14.900 1.00 0.00 H new ATOM 0 HA2 GLY A 33 42.650 -31.413 -15.286 1.00 0.00 H new ATOM 0 HA3 GLY A 33 42.849 -31.147 -13.565 1.00 0.00 H new ATOM 514 N HIS A 34 40.771 -32.962 -13.048 1.00 0.00 N ATOM 515 CA HIS A 34 40.213 -34.250 -12.671 1.00 0.00 C ATOM 516 C HIS A 34 38.727 -34.290 -13.031 1.00 0.00 C ATOM 517 O HIS A 34 38.091 -33.248 -13.179 1.00 0.00 O ATOM 518 CB HIS A 34 40.472 -34.543 -11.192 1.00 0.00 C ATOM 519 CG HIS A 34 39.696 -33.660 -10.246 1.00 0.00 C ATOM 520 ND1 HIS A 34 40.296 -32.690 -9.462 1.00 0.00 N ATOM 521 CD2 HIS A 34 38.361 -33.611 -9.964 1.00 0.00 C ATOM 522 CE1 HIS A 34 39.356 -32.089 -8.746 1.00 0.00 C ATOM 523 NE2 HIS A 34 38.158 -32.662 -9.059 1.00 0.00 N ATOM 0 H HIS A 34 40.448 -32.176 -12.484 1.00 0.00 H new ATOM 0 HA HIS A 34 40.709 -35.043 -13.231 1.00 0.00 H new ATOM 0 HB2 HIS A 34 40.221 -35.584 -10.989 1.00 0.00 H new ATOM 0 HB3 HIS A 34 41.537 -34.427 -10.990 1.00 0.00 H new ATOM 0 HD1 HIS A 34 41.293 -32.474 -9.439 1.00 0.00 H new ATOM 0 HD2 HIS A 34 37.599 -34.238 -10.403 1.00 0.00 H new ATOM 0 HE1 HIS A 34 39.511 -31.287 -8.039 1.00 0.00 H new ATOM 531 N TRP A 35 38.215 -35.506 -13.163 1.00 0.00 N ATOM 532 CA TRP A 35 36.815 -35.696 -13.503 1.00 0.00 C ATOM 533 C TRP A 35 36.025 -35.826 -12.198 1.00 0.00 C ATOM 534 O TRP A 35 36.610 -35.993 -11.128 1.00 0.00 O ATOM 535 CB TRP A 35 36.636 -36.898 -14.432 1.00 0.00 C ATOM 536 CG TRP A 35 36.713 -36.551 -15.920 1.00 0.00 C ATOM 537 CD1 TRP A 35 37.471 -35.617 -16.511 1.00 0.00 C ATOM 538 CD2 TRP A 35 35.971 -37.177 -16.988 1.00 0.00 C ATOM 539 NE1 TRP A 35 37.272 -35.594 -17.877 1.00 0.00 N ATOM 540 CE2 TRP A 35 36.331 -36.572 -18.176 1.00 0.00 C ATOM 541 CE3 TRP A 35 35.027 -38.219 -16.953 1.00 0.00 C ATOM 542 CZ2 TRP A 35 35.796 -36.941 -19.416 1.00 0.00 C ATOM 543 CZ3 TRP A 35 34.503 -38.574 -18.200 1.00 0.00 C ATOM 544 CH2 TRP A 35 34.854 -37.977 -19.405 1.00 0.00 C ATOM 0 H TRP A 35 38.745 -36.369 -13.041 1.00 0.00 H new ATOM 0 HA TRP A 35 36.432 -34.839 -14.058 1.00 0.00 H new ATOM 0 HB2 TRP A 35 37.402 -37.639 -14.202 1.00 0.00 H new ATOM 0 HB3 TRP A 35 35.671 -37.362 -14.227 1.00 0.00 H new ATOM 0 HD1 TRP A 35 38.152 -34.964 -15.985 1.00 0.00 H new ATOM 0 HE1 TRP A 35 37.731 -34.974 -18.544 1.00 0.00 H new ATOM 0 HE3 TRP A 35 34.730 -38.706 -16.036 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 36.094 -36.453 -20.332 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 33.773 -39.369 -18.229 1.00 0.00 H new ATOM 0 HH2 TRP A 35 34.403 -38.310 -20.328 1.00 0.00 H new ATOM 555 N ALA A 36 34.710 -35.742 -12.330 1.00 0.00 N ATOM 556 CA ALA A 36 33.834 -35.848 -11.176 1.00 0.00 C ATOM 557 C ALA A 36 34.071 -37.192 -10.483 1.00 0.00 C ATOM 558 O ALA A 36 34.088 -37.265 -9.255 1.00 0.00 O ATOM 559 CB ALA A 36 32.381 -35.670 -11.619 1.00 0.00 C ATOM 0 H ALA A 36 34.230 -35.602 -13.219 1.00 0.00 H new ATOM 0 HA ALA A 36 34.054 -35.061 -10.455 1.00 0.00 H new ATOM 0 HB1 ALA A 36 31.724 -35.750 -10.753 1.00 0.00 H new ATOM 0 HB2 ALA A 36 32.258 -34.689 -12.079 1.00 0.00 H new ATOM 0 HB3 ALA A 36 32.124 -36.444 -12.342 1.00 0.00 H new ATOM 565 N LYS A 37 34.247 -38.220 -11.299 1.00 0.00 N ATOM 566 CA LYS A 37 34.482 -39.557 -10.779 1.00 0.00 C ATOM 567 C LYS A 37 35.868 -39.611 -10.132 1.00 0.00 C ATOM 568 O LYS A 37 36.225 -40.606 -9.504 1.00 0.00 O ATOM 569 CB LYS A 37 34.275 -40.602 -11.877 1.00 0.00 C ATOM 570 CG LYS A 37 32.806 -40.668 -12.300 1.00 0.00 C ATOM 571 CD LYS A 37 32.433 -42.075 -12.772 1.00 0.00 C ATOM 572 CE LYS A 37 31.358 -42.023 -13.858 1.00 0.00 C ATOM 573 NZ LYS A 37 31.979 -41.957 -15.200 1.00 0.00 N ATOM 0 H LYS A 37 34.232 -38.155 -12.317 1.00 0.00 H new ATOM 0 HA LYS A 37 33.757 -39.797 -10.001 1.00 0.00 H new ATOM 0 HB2 LYS A 37 34.895 -40.357 -12.739 1.00 0.00 H new ATOM 0 HB3 LYS A 37 34.599 -41.580 -11.520 1.00 0.00 H new ATOM 0 HG2 LYS A 37 32.170 -40.381 -11.463 1.00 0.00 H new ATOM 0 HG3 LYS A 37 32.622 -39.951 -13.101 1.00 0.00 H new ATOM 0 HD2 LYS A 37 33.319 -42.580 -13.157 1.00 0.00 H new ATOM 0 HD3 LYS A 37 32.073 -42.662 -11.927 1.00 0.00 H new ATOM 0 HE2 LYS A 37 30.720 -42.904 -13.789 1.00 0.00 H new ATOM 0 HE3 LYS A 37 30.719 -41.154 -13.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 31.354 -41.435 -15.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 32.895 -41.469 -15.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 32.125 -42.921 -15.563 1.00 0.00 H new ATOM 587 N ASP A 38 36.610 -38.528 -10.307 1.00 0.00 N ATOM 588 CA ASP A 38 37.948 -38.440 -9.749 1.00 0.00 C ATOM 589 C ASP A 38 38.056 -37.180 -8.887 1.00 0.00 C ATOM 590 O ASP A 38 39.155 -36.701 -8.614 1.00 0.00 O ATOM 591 CB ASP A 38 39.002 -38.347 -10.854 1.00 0.00 C ATOM 592 CG ASP A 38 40.328 -39.046 -10.544 1.00 0.00 C ATOM 593 OD1 ASP A 38 40.273 -40.253 -10.226 1.00 0.00 O ATOM 594 OD2 ASP A 38 41.367 -38.355 -10.631 1.00 0.00 O ATOM 0 H ASP A 38 36.310 -37.704 -10.828 1.00 0.00 H new ATOM 0 HA ASP A 38 38.124 -39.338 -9.157 1.00 0.00 H new ATOM 0 HB2 ASP A 38 38.588 -38.775 -11.767 1.00 0.00 H new ATOM 0 HB3 ASP A 38 39.202 -37.295 -11.057 1.00 0.00 H new ATOM 599 N CYS A 39 36.897 -36.678 -8.484 1.00 0.00 N ATOM 600 CA CYS A 39 36.846 -35.483 -7.659 1.00 0.00 C ATOM 601 C CYS A 39 37.350 -35.842 -6.260 1.00 0.00 C ATOM 602 O CYS A 39 36.751 -36.671 -5.576 1.00 0.00 O ATOM 603 CB CYS A 39 35.441 -34.879 -7.623 1.00 0.00 C ATOM 604 SG CYS A 39 35.466 -33.286 -6.725 1.00 0.00 S ATOM 0 H CYS A 39 35.987 -37.077 -8.714 1.00 0.00 H new ATOM 0 HA CYS A 39 37.489 -34.715 -8.089 1.00 0.00 H new ATOM 0 HB2 CYS A 39 35.076 -34.727 -8.639 1.00 0.00 H new ATOM 0 HB3 CYS A 39 34.752 -35.569 -7.136 1.00 0.00 H new ATOM 609 N PRO A 40 38.474 -35.185 -5.867 1.00 0.00 N ATOM 610 CA PRO A 40 39.064 -35.427 -4.561 1.00 0.00 C ATOM 611 C PRO A 40 38.244 -34.759 -3.456 1.00 0.00 C ATOM 612 O PRO A 40 38.513 -34.956 -2.272 1.00 0.00 O ATOM 613 CB PRO A 40 40.479 -34.883 -4.663 1.00 0.00 C ATOM 614 CG PRO A 40 40.480 -33.943 -5.858 1.00 0.00 C ATOM 615 CD PRO A 40 39.209 -34.197 -6.651 1.00 0.00 C ATOM 0 HA PRO A 40 39.076 -36.484 -4.294 1.00 0.00 H new ATOM 0 HB2 PRO A 40 40.761 -34.356 -3.752 1.00 0.00 H new ATOM 0 HB3 PRO A 40 41.199 -35.690 -4.801 1.00 0.00 H new ATOM 0 HG2 PRO A 40 40.523 -32.905 -5.527 1.00 0.00 H new ATOM 0 HG3 PRO A 40 41.359 -34.116 -6.479 1.00 0.00 H new ATOM 0 HD2 PRO A 40 38.631 -33.281 -6.776 1.00 0.00 H new ATOM 0 HD3 PRO A 40 39.434 -34.572 -7.650 1.00 0.00 H new ATOM 623 N LYS A 41 37.259 -33.981 -3.882 1.00 0.00 N ATOM 624 CA LYS A 41 36.398 -33.282 -2.943 1.00 0.00 C ATOM 625 C LYS A 41 35.363 -34.259 -2.382 1.00 0.00 C ATOM 626 O LYS A 41 34.720 -33.977 -1.372 1.00 0.00 O ATOM 627 CB LYS A 41 35.783 -32.045 -3.599 1.00 0.00 C ATOM 628 CG LYS A 41 35.333 -31.031 -2.545 1.00 0.00 C ATOM 629 CD LYS A 41 34.054 -30.315 -2.983 1.00 0.00 C ATOM 630 CE LYS A 41 33.497 -29.446 -1.855 1.00 0.00 C ATOM 631 NZ LYS A 41 34.280 -28.196 -1.728 1.00 0.00 N ATOM 0 H LYS A 41 37.038 -33.820 -4.865 1.00 0.00 H new ATOM 0 HA LYS A 41 36.978 -32.911 -2.098 1.00 0.00 H new ATOM 0 HB2 LYS A 41 36.511 -31.583 -4.266 1.00 0.00 H new ATOM 0 HB3 LYS A 41 34.931 -32.340 -4.212 1.00 0.00 H new ATOM 0 HG2 LYS A 41 35.163 -31.539 -1.596 1.00 0.00 H new ATOM 0 HG3 LYS A 41 36.124 -30.300 -2.378 1.00 0.00 H new ATOM 0 HD2 LYS A 41 34.261 -29.695 -3.856 1.00 0.00 H new ATOM 0 HD3 LYS A 41 33.307 -31.050 -3.283 1.00 0.00 H new ATOM 0 HE2 LYS A 41 32.452 -29.209 -2.053 1.00 0.00 H new ATOM 0 HE3 LYS A 41 33.526 -29.997 -0.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 33.888 -27.618 -0.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 35.272 -28.428 -1.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 34.231 -27.663 -2.620 1.00 0.00 H new ATOM 645 N LYS A 42 35.233 -35.389 -3.062 1.00 0.00 N ATOM 646 CA LYS A 42 34.287 -36.410 -2.644 1.00 0.00 C ATOM 647 C LYS A 42 34.557 -36.783 -1.185 1.00 0.00 C ATOM 648 O LYS A 42 35.560 -37.426 -0.881 1.00 0.00 O ATOM 649 CB LYS A 42 34.329 -37.603 -3.602 1.00 0.00 C ATOM 650 CG LYS A 42 33.765 -37.225 -4.973 1.00 0.00 C ATOM 651 CD LYS A 42 33.116 -38.433 -5.651 1.00 0.00 C ATOM 652 CE LYS A 42 32.375 -38.016 -6.923 1.00 0.00 C ATOM 653 NZ LYS A 42 32.266 -39.159 -7.857 1.00 0.00 N ATOM 0 H LYS A 42 35.767 -35.620 -3.900 1.00 0.00 H new ATOM 0 HA LYS A 42 33.267 -36.028 -2.692 1.00 0.00 H new ATOM 0 HB2 LYS A 42 35.356 -37.951 -3.711 1.00 0.00 H new ATOM 0 HB3 LYS A 42 33.755 -38.430 -3.184 1.00 0.00 H new ATOM 0 HG2 LYS A 42 33.030 -36.428 -4.861 1.00 0.00 H new ATOM 0 HG3 LYS A 42 34.564 -36.835 -5.604 1.00 0.00 H new ATOM 0 HD2 LYS A 42 33.880 -39.171 -5.896 1.00 0.00 H new ATOM 0 HD3 LYS A 42 32.421 -38.912 -4.961 1.00 0.00 H new ATOM 0 HE2 LYS A 42 31.380 -37.651 -6.668 1.00 0.00 H new ATOM 0 HE3 LYS A 42 32.903 -37.193 -7.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 31.521 -38.966 -8.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 33.173 -39.295 -8.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 32.027 -40.020 -7.325 1.00 0.00 H new ATOM 667 N PRO A 43 33.620 -36.350 -0.299 1.00 0.00 N ATOM 668 CA PRO A 43 33.746 -36.632 1.120 1.00 0.00 C ATOM 669 C PRO A 43 33.408 -38.093 1.422 1.00 0.00 C ATOM 670 O PRO A 43 33.091 -38.860 0.515 1.00 0.00 O ATOM 671 CB PRO A 43 32.806 -35.651 1.801 1.00 0.00 C ATOM 672 CG PRO A 43 31.846 -35.177 0.723 1.00 0.00 C ATOM 673 CD PRO A 43 32.420 -35.585 -0.624 1.00 0.00 C ATOM 0 HA PRO A 43 34.765 -36.505 1.485 1.00 0.00 H new ATOM 0 HB2 PRO A 43 32.268 -36.129 2.620 1.00 0.00 H new ATOM 0 HB3 PRO A 43 33.358 -34.814 2.228 1.00 0.00 H new ATOM 0 HG2 PRO A 43 30.861 -35.620 0.868 1.00 0.00 H new ATOM 0 HG3 PRO A 43 31.720 -34.095 0.773 1.00 0.00 H new ATOM 0 HD2 PRO A 43 31.709 -36.185 -1.192 1.00 0.00 H new ATOM 0 HD3 PRO A 43 32.659 -34.713 -1.233 1.00 0.00 H new ATOM 681 N ARG A 44 33.487 -38.434 2.700 1.00 0.00 N ATOM 682 CA ARG A 44 33.193 -39.789 3.133 1.00 0.00 C ATOM 683 C ARG A 44 31.688 -39.963 3.347 1.00 0.00 C ATOM 684 O ARG A 44 31.096 -39.289 4.190 1.00 0.00 O ATOM 685 CB ARG A 44 33.929 -40.125 4.431 1.00 0.00 C ATOM 686 CG ARG A 44 34.645 -41.473 4.323 1.00 0.00 C ATOM 687 CD ARG A 44 35.641 -41.658 5.469 1.00 0.00 C ATOM 688 NE ARG A 44 35.069 -42.560 6.495 1.00 0.00 N ATOM 689 CZ ARG A 44 35.479 -42.602 7.770 1.00 0.00 C ATOM 690 NH1 ARG A 44 36.465 -41.795 8.184 1.00 0.00 N ATOM 691 NH2 ARG A 44 34.903 -43.452 8.631 1.00 0.00 N ATOM 0 H ARG A 44 33.751 -37.795 3.450 1.00 0.00 H new ATOM 0 HA ARG A 44 33.533 -40.468 2.351 1.00 0.00 H new ATOM 0 HB2 ARG A 44 34.653 -39.342 4.656 1.00 0.00 H new ATOM 0 HB3 ARG A 44 33.220 -40.151 5.259 1.00 0.00 H new ATOM 0 HG2 ARG A 44 33.913 -42.280 4.339 1.00 0.00 H new ATOM 0 HG3 ARG A 44 35.168 -41.536 3.369 1.00 0.00 H new ATOM 0 HD2 ARG A 44 36.574 -42.073 5.088 1.00 0.00 H new ATOM 0 HD3 ARG A 44 35.880 -40.692 5.914 1.00 0.00 H new ATOM 0 HE ARG A 44 34.316 -43.188 6.214 1.00 0.00 H new ATOM 0 HH11 ARG A 44 36.904 -41.148 7.529 1.00 0.00 H new ATOM 0 HH12 ARG A 44 36.777 -41.827 9.155 1.00 0.00 H new ATOM 0 HH21 ARG A 44 34.153 -44.067 8.316 1.00 0.00 H new ATOM 0 HH22 ARG A 44 35.215 -43.484 9.602 1.00 0.00 H new ATOM 705 N GLY A 45 31.112 -40.869 2.572 1.00 0.00 N ATOM 706 CA GLY A 45 29.688 -41.140 2.667 1.00 0.00 C ATOM 707 C GLY A 45 29.374 -42.005 3.891 1.00 0.00 C ATOM 708 O GLY A 45 30.272 -42.349 4.657 1.00 0.00 O ATOM 0 H GLY A 45 31.606 -41.426 1.875 1.00 0.00 H new ATOM 0 HA2 GLY A 45 29.139 -40.201 2.731 1.00 0.00 H new ATOM 0 HA3 GLY A 45 29.350 -41.646 1.763 1.00 0.00 H new ATOM 712 N PRO A 46 28.065 -42.339 4.037 1.00 0.00 N ATOM 713 CA PRO A 46 27.066 -41.889 3.083 1.00 0.00 C ATOM 714 C PRO A 46 26.745 -40.406 3.282 1.00 0.00 C ATOM 715 O PRO A 46 27.298 -39.763 4.172 1.00 0.00 O ATOM 716 CB PRO A 46 25.865 -42.792 3.314 1.00 0.00 C ATOM 717 CG PRO A 46 26.063 -43.403 4.693 1.00 0.00 C ATOM 718 CD PRO A 46 27.502 -43.151 5.112 1.00 0.00 C ATOM 0 HA PRO A 46 27.409 -41.961 2.051 1.00 0.00 H new ATOM 0 HB2 PRO A 46 24.935 -42.225 3.268 1.00 0.00 H new ATOM 0 HB3 PRO A 46 25.805 -43.566 2.549 1.00 0.00 H new ATOM 0 HG2 PRO A 46 25.373 -42.958 5.410 1.00 0.00 H new ATOM 0 HG3 PRO A 46 25.854 -44.472 4.670 1.00 0.00 H new ATOM 0 HD2 PRO A 46 27.550 -42.630 6.068 1.00 0.00 H new ATOM 0 HD3 PRO A 46 28.049 -44.086 5.230 1.00 0.00 H new ATOM 726 N ARG A 47 25.855 -39.908 2.438 1.00 0.00 N ATOM 727 CA ARG A 47 25.453 -38.513 2.509 1.00 0.00 C ATOM 728 C ARG A 47 24.258 -38.256 1.589 1.00 0.00 C ATOM 729 O ARG A 47 24.036 -38.998 0.632 1.00 0.00 O ATOM 730 CB ARG A 47 26.605 -37.589 2.109 1.00 0.00 C ATOM 731 CG ARG A 47 26.928 -36.599 3.230 1.00 0.00 C ATOM 732 CD ARG A 47 28.424 -36.278 3.263 1.00 0.00 C ATOM 733 NE ARG A 47 28.670 -34.953 2.651 1.00 0.00 N ATOM 734 CZ ARG A 47 29.771 -34.220 2.864 1.00 0.00 C ATOM 735 NH1 ARG A 47 30.733 -34.678 3.678 1.00 0.00 N ATOM 736 NH2 ARG A 47 29.911 -33.030 2.267 1.00 0.00 N ATOM 0 H ARG A 47 25.400 -40.446 1.700 1.00 0.00 H new ATOM 0 HA ARG A 47 25.172 -38.300 3.540 1.00 0.00 H new ATOM 0 HB2 ARG A 47 27.489 -38.183 1.878 1.00 0.00 H new ATOM 0 HB3 ARG A 47 26.341 -37.044 1.203 1.00 0.00 H new ATOM 0 HG2 ARG A 47 26.358 -35.681 3.085 1.00 0.00 H new ATOM 0 HG3 ARG A 47 26.621 -37.017 4.189 1.00 0.00 H new ATOM 0 HD2 ARG A 47 28.783 -36.285 4.292 1.00 0.00 H new ATOM 0 HD3 ARG A 47 28.981 -37.045 2.726 1.00 0.00 H new ATOM 0 HE ARG A 47 27.957 -34.574 2.028 1.00 0.00 H new ATOM 0 HH11 ARG A 47 30.626 -35.584 4.135 1.00 0.00 H new ATOM 0 HH12 ARG A 47 31.572 -34.121 3.841 1.00 0.00 H new ATOM 0 HH21 ARG A 47 29.179 -32.680 1.649 1.00 0.00 H new ATOM 0 HH22 ARG A 47 30.750 -32.473 2.430 1.00 0.00 H new ATOM 750 N GLY A 48 23.520 -37.204 1.911 1.00 0.00 N ATOM 751 CA GLY A 48 22.354 -36.840 1.125 1.00 0.00 C ATOM 752 C GLY A 48 21.175 -37.767 1.431 1.00 0.00 C ATOM 753 O GLY A 48 20.810 -38.605 0.609 1.00 0.00 O ATOM 0 H GLY A 48 23.707 -36.592 2.705 1.00 0.00 H new ATOM 0 HA2 GLY A 48 22.075 -35.808 1.338 1.00 0.00 H new ATOM 0 HA3 GLY A 48 22.596 -36.892 0.063 1.00 0.00 H new ATOM 757 N PRO A 49 20.599 -37.580 2.649 1.00 0.00 N ATOM 758 CA PRO A 49 19.470 -38.390 3.074 1.00 0.00 C ATOM 759 C PRO A 49 18.186 -37.958 2.362 1.00 0.00 C ATOM 760 O PRO A 49 17.575 -36.955 2.729 1.00 0.00 O ATOM 761 CB PRO A 49 19.402 -38.209 4.581 1.00 0.00 C ATOM 762 CG PRO A 49 20.196 -36.950 4.887 1.00 0.00 C ATOM 763 CD PRO A 49 21.004 -36.598 3.649 1.00 0.00 C ATOM 0 HA PRO A 49 19.587 -39.443 2.817 1.00 0.00 H new ATOM 0 HB2 PRO A 49 18.369 -38.110 4.916 1.00 0.00 H new ATOM 0 HB3 PRO A 49 19.824 -39.071 5.097 1.00 0.00 H new ATOM 0 HG2 PRO A 49 19.527 -36.131 5.152 1.00 0.00 H new ATOM 0 HG3 PRO A 49 20.855 -37.112 5.740 1.00 0.00 H new ATOM 0 HD2 PRO A 49 20.793 -35.582 3.314 1.00 0.00 H new ATOM 0 HD3 PRO A 49 22.075 -36.653 3.846 1.00 0.00 H new ATOM 771 N ARG A 50 17.815 -38.737 1.356 1.00 0.00 N ATOM 772 CA ARG A 50 16.615 -38.447 0.588 1.00 0.00 C ATOM 773 C ARG A 50 15.407 -38.326 1.519 1.00 0.00 C ATOM 774 O ARG A 50 15.231 -39.141 2.424 1.00 0.00 O ATOM 775 CB ARG A 50 16.346 -39.542 -0.447 1.00 0.00 C ATOM 776 CG ARG A 50 17.173 -39.314 -1.713 1.00 0.00 C ATOM 777 CD ARG A 50 16.312 -39.476 -2.967 1.00 0.00 C ATOM 778 NE ARG A 50 15.926 -38.148 -3.492 1.00 0.00 N ATOM 779 CZ ARG A 50 15.508 -37.927 -4.746 1.00 0.00 C ATOM 780 NH1 ARG A 50 15.421 -38.947 -5.612 1.00 0.00 N ATOM 781 NH2 ARG A 50 15.179 -36.688 -5.135 1.00 0.00 N ATOM 0 H ARG A 50 18.324 -39.568 1.055 1.00 0.00 H new ATOM 0 HA ARG A 50 16.773 -37.502 0.068 1.00 0.00 H new ATOM 0 HB2 ARG A 50 16.586 -40.516 -0.022 1.00 0.00 H new ATOM 0 HB3 ARG A 50 15.286 -39.557 -0.699 1.00 0.00 H new ATOM 0 HG2 ARG A 50 17.608 -38.315 -1.693 1.00 0.00 H new ATOM 0 HG3 ARG A 50 18.002 -40.021 -1.743 1.00 0.00 H new ATOM 0 HD2 ARG A 50 16.863 -40.030 -3.727 1.00 0.00 H new ATOM 0 HD3 ARG A 50 15.420 -40.057 -2.733 1.00 0.00 H new ATOM 0 HE ARG A 50 15.982 -37.350 -2.859 1.00 0.00 H new ATOM 0 HH11 ARG A 50 15.673 -39.890 -5.316 1.00 0.00 H new ATOM 0 HH12 ARG A 50 15.103 -38.780 -6.567 1.00 0.00 H new ATOM 0 HH21 ARG A 50 15.247 -35.912 -4.477 1.00 0.00 H new ATOM 0 HH22 ARG A 50 14.861 -36.521 -6.090 1.00 0.00 H new ATOM 795 N PRO A 51 14.583 -37.275 1.257 1.00 0.00 N ATOM 796 CA PRO A 51 13.396 -37.037 2.060 1.00 0.00 C ATOM 797 C PRO A 51 12.290 -38.035 1.714 1.00 0.00 C ATOM 798 O PRO A 51 11.781 -38.732 2.589 1.00 0.00 O ATOM 799 CB PRO A 51 13.009 -35.596 1.772 1.00 0.00 C ATOM 800 CG PRO A 51 13.711 -35.228 0.474 1.00 0.00 C ATOM 801 CD PRO A 51 14.760 -36.291 0.194 1.00 0.00 C ATOM 0 HA PRO A 51 13.573 -37.182 3.126 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.928 -35.494 1.674 1.00 0.00 H new ATOM 0 HB3 PRO A 51 13.319 -34.938 2.584 1.00 0.00 H new ATOM 0 HG2 PRO A 51 12.994 -35.174 -0.345 1.00 0.00 H new ATOM 0 HG3 PRO A 51 14.176 -34.245 0.557 1.00 0.00 H new ATOM 0 HD2 PRO A 51 14.617 -36.740 -0.789 1.00 0.00 H new ATOM 0 HD3 PRO A 51 15.765 -35.869 0.208 1.00 0.00 H new ATOM 809 N GLN A 52 11.951 -38.072 0.433 1.00 0.00 N ATOM 810 CA GLN A 52 10.913 -38.973 -0.041 1.00 0.00 C ATOM 811 C GLN A 52 9.595 -38.691 0.683 1.00 0.00 C ATOM 812 O GLN A 52 9.584 -38.058 1.738 1.00 0.00 O ATOM 813 CB GLN A 52 11.334 -40.433 0.135 1.00 0.00 C ATOM 814 CG GLN A 52 10.932 -41.269 -1.081 1.00 0.00 C ATOM 815 CD GLN A 52 10.674 -42.725 -0.685 1.00 0.00 C ATOM 816 OE1 GLN A 52 9.572 -43.114 -0.337 1.00 0.00 O ATOM 817 NE2 GLN A 52 11.750 -43.503 -0.758 1.00 0.00 N ATOM 0 H GLN A 52 12.376 -37.493 -0.291 1.00 0.00 H new ATOM 0 HA GLN A 52 10.764 -38.798 -1.106 1.00 0.00 H new ATOM 0 HB2 GLN A 52 12.413 -40.489 0.279 1.00 0.00 H new ATOM 0 HB3 GLN A 52 10.871 -40.843 1.032 1.00 0.00 H new ATOM 0 HG2 GLN A 52 10.035 -40.848 -1.536 1.00 0.00 H new ATOM 0 HG3 GLN A 52 11.721 -41.227 -1.832 1.00 0.00 H new ATOM 0 HE21 GLN A 52 12.643 -43.112 -1.058 1.00 0.00 H new ATOM 0 HE22 GLN A 52 11.682 -44.491 -0.514 1.00 0.00 H new ATOM 826 N THR A 53 8.515 -39.175 0.087 1.00 0.00 N ATOM 827 CA THR A 53 7.194 -38.985 0.661 1.00 0.00 C ATOM 828 C THR A 53 6.858 -37.493 0.741 1.00 0.00 C ATOM 829 O THR A 53 7.755 -36.654 0.805 1.00 0.00 O ATOM 830 CB THR A 53 7.162 -39.687 2.020 1.00 0.00 C ATOM 831 OG1 THR A 53 7.063 -41.071 1.692 1.00 0.00 O ATOM 832 CG2 THR A 53 5.880 -39.396 2.800 1.00 0.00 C ATOM 0 H THR A 53 8.528 -39.699 -0.788 1.00 0.00 H new ATOM 0 HA THR A 53 6.422 -39.429 0.032 1.00 0.00 H new ATOM 0 HB THR A 53 8.023 -39.375 2.610 1.00 0.00 H new ATOM 0 HG1 THR A 53 7.038 -41.601 2.516 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.909 -39.918 3.756 1.00 0.00 H new ATOM 0 HG22 THR A 53 5.796 -38.323 2.975 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.019 -39.738 2.226 1.00 0.00 H new ATOM 840 N SER A 54 5.564 -37.211 0.733 1.00 0.00 N ATOM 841 CA SER A 54 5.098 -35.836 0.804 1.00 0.00 C ATOM 842 C SER A 54 5.592 -35.053 -0.414 1.00 0.00 C ATOM 843 O SER A 54 6.595 -34.346 -0.337 1.00 0.00 O ATOM 844 CB SER A 54 5.567 -35.161 2.095 1.00 0.00 C ATOM 845 OG SER A 54 4.690 -35.426 3.185 1.00 0.00 O ATOM 0 H SER A 54 4.824 -37.910 0.678 1.00 0.00 H new ATOM 0 HA SER A 54 4.008 -35.844 0.806 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.569 -35.510 2.343 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.634 -34.085 1.937 1.00 0.00 H new ATOM 0 HG SER A 54 5.025 -34.979 3.990 1.00 0.00 H new ATOM 851 N LEU A 55 4.865 -35.206 -1.512 1.00 0.00 N ATOM 852 CA LEU A 55 5.216 -34.523 -2.744 1.00 0.00 C ATOM 853 C LEU A 55 4.107 -33.534 -3.108 1.00 0.00 C ATOM 854 O LEU A 55 2.965 -33.933 -3.335 1.00 0.00 O ATOM 855 CB LEU A 55 5.525 -35.535 -3.849 1.00 0.00 C ATOM 856 CG LEU A 55 4.416 -36.541 -4.166 1.00 0.00 C ATOM 857 CD1 LEU A 55 4.144 -36.601 -5.670 1.00 0.00 C ATOM 858 CD2 LEU A 55 4.744 -37.919 -3.587 1.00 0.00 C ATOM 0 H LEU A 55 4.034 -35.794 -1.573 1.00 0.00 H new ATOM 0 HA LEU A 55 6.129 -33.943 -2.611 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.762 -34.987 -4.761 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.421 -36.088 -3.567 1.00 0.00 H new ATOM 0 HG LEU A 55 3.498 -36.200 -3.686 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.352 -37.323 -5.868 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.835 -35.617 -6.023 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.051 -36.905 -6.192 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.940 -38.615 -3.826 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.678 -38.281 -4.017 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.848 -37.843 -2.505 1.00 0.00 H new ATOM 870 N LEU A 56 4.481 -32.264 -3.152 1.00 0.00 N ATOM 871 CA LEU A 56 3.531 -31.215 -3.485 1.00 0.00 C ATOM 872 C LEU A 56 3.442 -31.077 -5.005 1.00 0.00 C ATOM 873 O LEU A 56 4.341 -31.510 -5.725 1.00 0.00 O ATOM 874 CB LEU A 56 3.898 -29.913 -2.770 1.00 0.00 C ATOM 875 CG LEU A 56 3.040 -29.549 -1.557 1.00 0.00 C ATOM 876 CD1 LEU A 56 1.581 -29.333 -1.963 1.00 0.00 C ATOM 877 CD2 LEU A 56 3.177 -30.598 -0.452 1.00 0.00 C ATOM 0 H LEU A 56 5.428 -31.937 -2.963 1.00 0.00 H new ATOM 0 HA LEU A 56 2.534 -31.477 -3.130 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.937 -29.979 -2.448 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.838 -29.097 -3.490 1.00 0.00 H new ATOM 0 HG LEU A 56 3.406 -28.606 -1.152 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.993 -29.075 -1.082 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.522 -28.522 -2.689 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.188 -30.247 -2.407 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.557 -30.314 0.398 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.854 -31.568 -0.829 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.218 -30.660 -0.136 1.00 0.00 H new TER 889 LEU A 56 ATOM 890 P A B 493 21.850 -31.343 -6.700 1.00 0.00 P ATOM 891 OP1 A B 493 21.430 -32.497 -5.873 1.00 0.00 O ATOM 892 OP2 A B 493 20.790 -30.431 -7.186 1.00 0.00 O ATOM 893 O5' A B 493 22.894 -30.479 -5.849 1.00 0.00 O ATOM 894 C5' A B 493 23.176 -29.133 -6.224 1.00 0.00 C ATOM 895 C4' A B 493 23.259 -28.259 -4.993 1.00 0.00 C ATOM 896 O4' A B 493 22.488 -28.995 -4.010 1.00 0.00 O ATOM 897 C3' A B 493 24.613 -28.291 -4.287 1.00 0.00 C ATOM 898 O3' A B 493 25.384 -27.160 -4.689 1.00 0.00 O ATOM 899 C2' A B 493 24.297 -28.248 -2.818 1.00 0.00 C ATOM 900 O2' A B 493 23.999 -26.886 -2.604 1.00 0.00 O ATOM 901 C1' A B 493 23.103 -29.197 -2.757 1.00 0.00 C ATOM 902 N9 A B 493 23.484 -30.613 -2.571 1.00 0.00 N ATOM 903 C8 A B 493 24.141 -31.405 -3.443 1.00 0.00 C ATOM 904 N7 A B 493 24.333 -32.634 -2.974 1.00 0.00 N ATOM 905 C5 A B 493 23.759 -32.605 -1.731 1.00 0.00 C ATOM 906 C6 A B 493 23.634 -33.598 -0.736 1.00 0.00 C ATOM 907 N6 A B 493 24.103 -34.867 -0.852 1.00 0.00 N ATOM 908 N1 A B 493 22.997 -33.252 0.416 1.00 0.00 N ATOM 909 C2 A B 493 22.526 -31.991 0.540 1.00 0.00 C ATOM 910 N3 A B 493 22.589 -30.972 -0.338 1.00 0.00 N ATOM 911 C4 A B 493 23.234 -31.381 -1.464 1.00 0.00 C ATOM 0 H5' A B 493 22.398 -28.762 -6.891 1.00 0.00 H new ATOM 0 H5'' A B 493 24.116 -29.090 -6.775 1.00 0.00 H new ATOM 0 H4' A B 493 22.985 -27.247 -5.291 1.00 0.00 H new ATOM 0 H3' A B 493 25.198 -29.177 -4.532 1.00 0.00 H new ATOM 0 H2' A B 493 25.037 -28.546 -2.076 1.00 0.00 H new ATOM 0 HO2' A B 493 24.515 -26.336 -3.230 1.00 0.00 H new ATOM 0 H1' A B 493 22.459 -28.991 -1.902 1.00 0.00 H new ATOM 0 H8 A B 493 24.475 -31.077 -4.416 1.00 0.00 H new ATOM 0 H61 A B 493 23.974 -35.530 -0.088 1.00 0.00 H new ATOM 0 H62 A B 493 24.584 -35.157 -1.703 1.00 0.00 H new ATOM 0 H2 A B 493 22.030 -31.770 1.474 1.00 0.00 H new ATOM 923 P A B 494 26.156 -27.176 -6.091 1.00 0.00 P ATOM 924 OP1 A B 494 27.191 -26.118 -6.102 1.00 0.00 O ATOM 925 OP2 A B 494 25.176 -27.184 -7.200 1.00 0.00 O ATOM 926 O5' A B 494 26.898 -28.594 -6.076 1.00 0.00 O ATOM 927 C5' A B 494 27.635 -29.024 -7.219 1.00 0.00 C ATOM 928 C4' A B 494 27.749 -30.532 -7.225 1.00 0.00 C ATOM 929 O4' A B 494 28.959 -30.776 -6.473 1.00 0.00 O ATOM 930 C3' A B 494 26.658 -31.251 -6.436 1.00 0.00 C ATOM 931 O3' A B 494 25.948 -32.132 -7.304 1.00 0.00 O ATOM 932 C2' A B 494 27.381 -32.004 -5.354 1.00 0.00 C ATOM 933 O2' A B 494 27.638 -33.250 -5.962 1.00 0.00 O ATOM 934 C1' A B 494 28.600 -31.110 -5.151 1.00 0.00 C ATOM 935 N9 A B 494 28.316 -29.897 -4.353 1.00 0.00 N ATOM 936 C8 A B 494 27.378 -29.750 -3.395 1.00 0.00 C ATOM 937 N7 A B 494 27.375 -28.531 -2.863 1.00 0.00 N ATOM 938 C5 A B 494 28.376 -27.879 -3.533 1.00 0.00 C ATOM 939 C6 A B 494 28.866 -26.560 -3.427 1.00 0.00 C ATOM 940 N6 A B 494 28.386 -25.628 -2.564 1.00 0.00 N ATOM 941 N1 A B 494 29.891 -26.206 -4.250 1.00 0.00 N ATOM 942 C2 A B 494 30.375 -27.127 -5.112 1.00 0.00 C ATOM 943 N3 A B 494 29.988 -28.403 -5.296 1.00 0.00 N ATOM 944 C4 A B 494 28.963 -28.695 -4.447 1.00 0.00 C ATOM 0 H5' A B 494 28.629 -28.576 -7.210 1.00 0.00 H new ATOM 0 H5'' A B 494 27.140 -28.685 -8.129 1.00 0.00 H new ATOM 0 H4' A B 494 27.703 -30.885 -8.255 1.00 0.00 H new ATOM 0 H3' A B 494 25.923 -30.569 -6.008 1.00 0.00 H new ATOM 0 H2' A B 494 26.907 -32.196 -4.391 1.00 0.00 H new ATOM 0 HO2' A B 494 28.470 -33.623 -5.604 1.00 0.00 H new ATOM 0 H1' A B 494 29.385 -31.612 -4.585 1.00 0.00 H new ATOM 0 H8 A B 494 26.703 -30.537 -3.093 1.00 0.00 H new ATOM 0 H61 A B 494 28.793 -24.693 -2.545 1.00 0.00 H new ATOM 0 H62 A B 494 27.619 -25.863 -1.934 1.00 0.00 H new ATOM 0 H2 A B 494 31.186 -26.792 -5.742 1.00 0.00 H new ATOM 956 P C B 495 25.269 -31.567 -8.638 1.00 0.00 P ATOM 957 OP1 C B 495 25.677 -30.160 -8.847 1.00 0.00 O ATOM 958 OP2 C B 495 23.819 -31.862 -8.621 1.00 0.00 O ATOM 959 O5' C B 495 25.940 -32.454 -9.788 1.00 0.00 O ATOM 960 C5' C B 495 26.515 -33.719 -9.469 1.00 0.00 C ATOM 961 C4' C B 495 27.632 -34.042 -10.435 1.00 0.00 C ATOM 962 O4' C B 495 28.745 -34.345 -9.581 1.00 0.00 O ATOM 963 C3' C B 495 27.493 -35.392 -11.131 1.00 0.00 C ATOM 964 O3' C B 495 26.924 -35.203 -12.424 1.00 0.00 O ATOM 965 C2' C B 495 28.891 -35.940 -11.219 1.00 0.00 C ATOM 966 O2' C B 495 29.431 -35.236 -12.313 1.00 0.00 O ATOM 967 C1' C B 495 29.437 -35.544 -9.850 1.00 0.00 C ATOM 968 N1 C B 495 29.185 -36.553 -8.800 1.00 0.00 N ATOM 969 C2 C B 495 29.933 -37.728 -8.838 1.00 0.00 C ATOM 970 O2 C B 495 30.765 -37.871 -9.740 1.00 0.00 O ATOM 971 N3 C B 495 29.721 -38.662 -7.893 1.00 0.00 N ATOM 972 C4 C B 495 28.830 -38.493 -6.937 1.00 0.00 C ATOM 973 N4 C B 495 28.636 -39.426 -6.014 1.00 0.00 N ATOM 974 C5 C B 495 28.041 -37.284 -6.875 1.00 0.00 C ATOM 975 C6 C B 495 28.263 -36.363 -7.825 1.00 0.00 C ATOM 0 H5' C B 495 25.751 -34.495 -9.512 1.00 0.00 H new ATOM 0 H5'' C B 495 26.899 -33.706 -8.449 1.00 0.00 H new ATOM 0 H4' C B 495 27.683 -33.225 -11.155 1.00 0.00 H new ATOM 0 H3' C B 495 26.839 -36.080 -10.595 1.00 0.00 H new ATOM 0 H2' C B 495 29.069 -37.002 -11.388 1.00 0.00 H new ATOM 0 HO2' C B 495 28.710 -34.786 -12.800 1.00 0.00 H new ATOM 0 H1' C B 495 30.523 -35.446 -9.854 1.00 0.00 H new ATOM 0 H41 C B 495 27.943 -39.281 -5.280 1.00 0.00 H new ATOM 0 H42 C B 495 29.180 -40.288 -6.038 1.00 0.00 H new ATOM 0 H5 C B 495 27.306 -37.129 -6.099 1.00 0.00 H new ATOM 0 H6 C B 495 27.692 -35.446 -7.812 1.00 0.00 H new ATOM 987 P A B 496 25.344 -35.353 -12.633 1.00 0.00 P ATOM 988 OP1 A B 496 24.726 -34.013 -12.741 1.00 0.00 O ATOM 989 OP2 A B 496 24.794 -36.279 -11.619 1.00 0.00 O ATOM 990 O5' A B 496 25.236 -36.064 -14.062 1.00 0.00 O ATOM 991 C5' A B 496 24.379 -35.522 -15.066 1.00 0.00 C ATOM 992 C4' A B 496 25.149 -34.563 -15.945 1.00 0.00 C ATOM 993 O4' A B 496 25.270 -33.345 -15.190 1.00 0.00 O ATOM 994 C3' A B 496 26.661 -34.768 -15.930 1.00 0.00 C ATOM 995 O3' A B 496 27.008 -35.804 -16.847 1.00 0.00 O ATOM 996 C2' A B 496 27.246 -33.447 -16.343 1.00 0.00 C ATOM 997 O2' A B 496 27.158 -33.496 -17.749 1.00 0.00 O ATOM 998 C1' A B 496 26.281 -32.483 -15.659 1.00 0.00 C ATOM 999 N9 A B 496 26.894 -31.725 -14.549 1.00 0.00 N ATOM 1000 C8 A B 496 27.049 -32.126 -13.269 1.00 0.00 C ATOM 1001 N7 A B 496 27.641 -31.209 -12.512 1.00 0.00 N ATOM 1002 C5 A B 496 27.869 -30.169 -13.373 1.00 0.00 C ATOM 1003 C6 A B 496 28.466 -28.905 -13.177 1.00 0.00 C ATOM 1004 N6 A B 496 28.961 -28.465 -11.991 1.00 0.00 N ATOM 1005 N1 A B 496 28.548 -28.077 -14.253 1.00 0.00 N ATOM 1006 C2 A B 496 28.058 -28.508 -15.437 1.00 0.00 C ATOM 1007 N3 A B 496 27.473 -29.682 -15.737 1.00 0.00 N ATOM 1008 C4 A B 496 27.421 -30.462 -14.622 1.00 0.00 C ATOM 0 H5' A B 496 23.540 -35.006 -14.599 1.00 0.00 H new ATOM 0 H5'' A B 496 23.961 -36.326 -15.671 1.00 0.00 H new ATOM 0 H4' A B 496 24.657 -34.631 -16.915 1.00 0.00 H new ATOM 0 H3' A B 496 27.038 -35.070 -14.953 1.00 0.00 H new ATOM 0 H2' A B 496 28.271 -33.180 -16.084 1.00 0.00 H new ATOM 0 HO2' A B 496 27.204 -34.428 -18.047 1.00 0.00 H new ATOM 0 H1' A B 496 25.930 -31.705 -16.337 1.00 0.00 H new ATOM 0 H8 A B 496 26.726 -33.089 -12.900 1.00 0.00 H new ATOM 0 H61 A B 496 29.379 -27.537 -11.926 1.00 0.00 H new ATOM 0 H62 A B 496 28.915 -29.063 -11.166 1.00 0.00 H new ATOM 0 H2 A B 496 28.149 -27.812 -16.258 1.00 0.00 H new ATOM 1020 P G B 497 27.381 -37.262 -16.303 1.00 0.00 P ATOM 1021 OP1 G B 497 26.147 -38.063 -16.136 1.00 0.00 O ATOM 1022 OP2 G B 497 28.281 -37.143 -15.136 1.00 0.00 O ATOM 1023 O5' G B 497 28.219 -37.893 -17.512 1.00 0.00 O ATOM 1024 C5' G B 497 27.915 -37.529 -18.857 1.00 0.00 C ATOM 1025 C4' G B 497 29.191 -37.311 -19.637 1.00 0.00 C ATOM 1026 O4' G B 497 29.685 -36.055 -19.136 1.00 0.00 O ATOM 1027 C3' G B 497 30.368 -38.164 -19.172 1.00 0.00 C ATOM 1028 O3' G B 497 30.427 -39.357 -19.950 1.00 0.00 O ATOM 1029 C2' G B 497 31.586 -37.307 -19.381 1.00 0.00 C ATOM 1030 O2' G B 497 31.803 -37.411 -20.771 1.00 0.00 O ATOM 1031 C1' G B 497 31.071 -35.956 -18.897 1.00 0.00 C ATOM 1032 N9 G B 497 31.350 -35.695 -17.469 1.00 0.00 N ATOM 1033 C8 G B 497 30.774 -36.284 -16.401 1.00 0.00 C ATOM 1034 N7 G B 497 31.247 -35.826 -15.247 1.00 0.00 N ATOM 1035 C5 G B 497 32.178 -34.893 -15.618 1.00 0.00 C ATOM 1036 C6 G B 497 33.023 -34.060 -14.856 1.00 0.00 C ATOM 1037 O6 G B 497 33.071 -34.027 -13.627 1.00 0.00 O ATOM 1038 N1 G B 497 33.853 -33.222 -15.534 1.00 0.00 N ATOM 1039 C2 G B 497 33.822 -33.236 -16.885 1.00 0.00 C ATOM 1040 N2 G B 497 34.688 -32.366 -17.399 1.00 0.00 N ATOM 1041 N3 G B 497 33.063 -33.983 -17.709 1.00 0.00 N ATOM 1042 C4 G B 497 32.257 -34.797 -16.972 1.00 0.00 C ATOM 0 H5' G B 497 27.313 -36.621 -18.869 1.00 0.00 H new ATOM 0 H5'' G B 497 27.321 -38.312 -19.328 1.00 0.00 H new ATOM 0 H4' G B 497 28.948 -37.463 -20.689 1.00 0.00 H new ATOM 0 H3' G B 497 30.284 -38.471 -18.130 1.00 0.00 H new ATOM 0 H2' G B 497 32.527 -37.537 -18.880 1.00 0.00 H new ATOM 0 HO2' G B 497 31.526 -38.299 -21.080 1.00 0.00 H new ATOM 0 H1' G B 497 31.558 -35.125 -19.408 1.00 0.00 H new ATOM 0 H8 G B 497 30.011 -37.045 -16.476 1.00 0.00 H new ATOM 0 H1 G B 497 34.485 -32.597 -15.034 1.00 0.00 H new ATOM 0 H21 G B 497 34.773 -32.268 -18.411 1.00 0.00 H new ATOM 0 H22 G B 497 35.267 -31.797 -16.781 1.00 0.00 H new ATOM 1054 P U B 498 30.383 -40.785 -19.229 1.00 0.00 P ATOM 1055 OP1 U B 498 28.987 -41.274 -19.176 1.00 0.00 O ATOM 1056 OP2 U B 498 31.135 -40.724 -17.956 1.00 0.00 O ATOM 1057 O5' U B 498 31.195 -41.722 -20.239 1.00 0.00 O ATOM 1058 C5' U B 498 30.588 -42.160 -21.453 1.00 0.00 C ATOM 1059 C4' U B 498 31.625 -42.259 -22.548 1.00 0.00 C ATOM 1060 O4' U B 498 32.666 -41.327 -22.151 1.00 0.00 O ATOM 1061 C3' U B 498 32.572 -43.448 -22.414 1.00 0.00 C ATOM 1062 O3' U B 498 31.969 -44.604 -23.013 1.00 0.00 O ATOM 1063 C2' U B 498 33.825 -43.040 -23.136 1.00 0.00 C ATOM 1064 O2' U B 498 33.489 -43.255 -24.488 1.00 0.00 O ATOM 1065 C1' U B 498 33.934 -41.578 -22.713 1.00 0.00 C ATOM 1066 N1 U B 498 35.012 -41.326 -21.733 1.00 0.00 N ATOM 1067 C2 U B 498 36.197 -40.890 -22.238 1.00 0.00 C ATOM 1068 O2 U B 498 36.399 -40.703 -23.428 1.00 0.00 O ATOM 1069 N3 U B 498 37.202 -40.655 -21.326 1.00 0.00 N ATOM 1070 C4 U B 498 37.058 -40.839 -19.974 1.00 0.00 C ATOM 1071 O4 U B 498 38.025 -40.597 -19.253 1.00 0.00 O ATOM 1072 C5 U B 498 35.800 -41.296 -19.500 1.00 0.00 C ATOM 1073 C6 U B 498 34.840 -41.517 -20.401 1.00 0.00 C ATOM 0 H5' U B 498 29.803 -41.464 -21.747 1.00 0.00 H new ATOM 0 H5'' U B 498 30.114 -43.130 -21.302 1.00 0.00 H new ATOM 0 H4' U B 498 31.065 -42.197 -23.481 1.00 0.00 H new ATOM 0 H3' U B 498 32.790 -43.706 -21.377 1.00 0.00 H new ATOM 0 H2' U B 498 34.772 -43.545 -22.945 1.00 0.00 H new ATOM 0 HO2' U B 498 32.699 -43.833 -24.541 1.00 0.00 H new ATOM 0 HO3' U B 498 32.576 -45.369 -22.930 1.00 0.00 H new ATOM 0 H1' U B 498 34.192 -40.928 -23.549 1.00 0.00 H new ATOM 0 H3 U B 498 38.102 -40.326 -21.675 1.00 0.00 H new ATOM 0 H5 U B 498 35.626 -41.459 -18.447 1.00 0.00 H new ATOM 0 H6 U B 498 33.879 -41.865 -20.052 1.00 0.00 H new TER 1084 U B 498 HETATM 1085 ZN ZN A 57 36.362 -32.052 -8.451 1.00 0.00 ZN