USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=16 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 37 LYS NZ :NH3+ -131:sc= 1.26 (180deg=-0.322) USER MOD Set 1.2: B 495 C O2' : rot -36:sc= 1.67 USER MOD Set 1.3: B 498 U O3' : rot 26:sc= 0.217 USER MOD Set 2.1: A 19 SER OG : rot -75:sc= -0.0307 USER MOD Set 2.2: A 20 GLN : amide:sc= -0.953 K(o=-0.98,f=-3.5!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) 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=0.2) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.0033) USER MOD Single : A 25 GLN : amide:sc= -0.269 K(o=-0.27,f=-1.8) USER MOD Single : A 28 TYR OH : rot 165:sc= 0.252 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -176:sc= -2.47! (180deg=-2.73!) USER MOD Single : A 42 LYS NZ :NH3+ 156:sc= -0.688! (180deg=-2.29!) USER MOD Single : A 52 GLN : amide:sc=-0.00501 X(o=-0.005,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 59:sc= 0.0141 USER MOD Single : B 493 A O2' : rot -32:sc= 0.446 USER MOD Single : B 494 A O2' : rot -163:sc= -2.35 USER MOD Single : B 496 A O2' : rot -22:sc= 0.333 USER MOD Single : B 497 G O2' : rot -33:sc= -0.159 USER MOD Single : B 498 U O2' : rot -44:sc= 0.323 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 59.177 -48.735 -39.337 1.00 0.00 N ATOM 2 CA ALA A 1 57.767 -48.989 -39.096 1.00 0.00 C ATOM 3 C ALA A 1 56.961 -47.734 -39.440 1.00 0.00 C ATOM 4 O ALA A 1 57.071 -46.715 -38.759 1.00 0.00 O ATOM 5 CB ALA A 1 57.568 -49.429 -37.644 1.00 0.00 C ATOM 0 H1 ALA A 1 59.728 -49.586 -39.104 1.00 0.00 H new ATOM 0 H2 ALA A 1 59.320 -48.493 -40.338 1.00 0.00 H new ATOM 0 H3 ALA A 1 59.494 -47.944 -38.741 1.00 0.00 H new ATOM 0 HA ALA A 1 57.408 -49.797 -39.734 1.00 0.00 H new ATOM 0 HB1 ALA A 1 56.510 -49.620 -37.463 1.00 0.00 H new ATOM 0 HB2 ALA A 1 58.138 -50.340 -37.458 1.00 0.00 H new ATOM 0 HB3 ALA A 1 57.914 -48.642 -36.975 1.00 0.00 H new ATOM 11 N THR A 2 56.170 -47.849 -40.496 1.00 0.00 N ATOM 12 CA THR A 2 55.347 -46.737 -40.939 1.00 0.00 C ATOM 13 C THR A 2 53.921 -47.211 -41.227 1.00 0.00 C ATOM 14 O THR A 2 53.712 -48.094 -42.058 1.00 0.00 O ATOM 15 CB THR A 2 56.029 -46.094 -42.147 1.00 0.00 C ATOM 16 OG1 THR A 2 57.123 -45.372 -41.585 1.00 0.00 O ATOM 17 CG2 THR A 2 55.166 -45.013 -42.802 1.00 0.00 C ATOM 0 H THR A 2 56.081 -48.696 -41.058 1.00 0.00 H new ATOM 0 HA THR A 2 55.254 -45.980 -40.160 1.00 0.00 H new ATOM 0 HB THR A 2 56.265 -46.864 -42.882 1.00 0.00 H new ATOM 0 HG1 THR A 2 57.622 -44.925 -42.300 1.00 0.00 H new ATOM 0 HG21 THR A 2 55.698 -44.590 -43.654 1.00 0.00 H new ATOM 0 HG22 THR A 2 54.228 -45.452 -43.142 1.00 0.00 H new ATOM 0 HG23 THR A 2 54.957 -44.226 -42.077 1.00 0.00 H new ATOM 25 N VAL A 3 52.976 -46.602 -40.526 1.00 0.00 N ATOM 26 CA VAL A 3 51.575 -46.951 -40.697 1.00 0.00 C ATOM 27 C VAL A 3 50.715 -45.702 -40.498 1.00 0.00 C ATOM 28 O VAL A 3 50.785 -45.056 -39.453 1.00 0.00 O ATOM 29 CB VAL A 3 51.200 -48.092 -39.749 1.00 0.00 C ATOM 30 CG1 VAL A 3 51.250 -47.632 -38.291 1.00 0.00 C ATOM 31 CG2 VAL A 3 49.826 -48.665 -40.097 1.00 0.00 C ATOM 0 H VAL A 3 53.152 -45.869 -39.839 1.00 0.00 H new ATOM 0 HA VAL A 3 51.393 -47.314 -41.709 1.00 0.00 H new ATOM 0 HB VAL A 3 51.935 -48.887 -39.874 1.00 0.00 H new ATOM 0 HG11 VAL A 3 50.979 -48.462 -37.638 1.00 0.00 H new ATOM 0 HG12 VAL A 3 52.258 -47.295 -38.050 1.00 0.00 H new ATOM 0 HG13 VAL A 3 50.548 -46.811 -38.144 1.00 0.00 H new ATOM 0 HG21 VAL A 3 49.584 -49.474 -39.408 1.00 0.00 H new ATOM 0 HG22 VAL A 3 49.073 -47.881 -40.014 1.00 0.00 H new ATOM 0 HG23 VAL A 3 49.840 -49.049 -41.117 1.00 0.00 H new ATOM 41 N VAL A 4 49.924 -45.398 -41.516 1.00 0.00 N ATOM 42 CA VAL A 4 49.052 -44.238 -41.467 1.00 0.00 C ATOM 43 C VAL A 4 47.926 -44.493 -40.462 1.00 0.00 C ATOM 44 O VAL A 4 47.809 -45.593 -39.923 1.00 0.00 O ATOM 45 CB VAL A 4 48.537 -43.909 -42.869 1.00 0.00 C ATOM 46 CG1 VAL A 4 49.696 -43.628 -43.827 1.00 0.00 C ATOM 47 CG2 VAL A 4 47.645 -45.032 -43.403 1.00 0.00 C ATOM 0 H VAL A 4 49.869 -45.936 -42.381 1.00 0.00 H new ATOM 0 HA VAL A 4 49.603 -43.362 -41.124 1.00 0.00 H new ATOM 0 HB VAL A 4 47.932 -43.005 -42.800 1.00 0.00 H new ATOM 0 HG11 VAL A 4 49.302 -43.397 -44.817 1.00 0.00 H new ATOM 0 HG12 VAL A 4 50.274 -42.780 -43.460 1.00 0.00 H new ATOM 0 HG13 VAL A 4 50.339 -44.506 -43.888 1.00 0.00 H new ATOM 0 HG21 VAL A 4 47.292 -44.773 -44.401 1.00 0.00 H new ATOM 0 HG22 VAL A 4 48.216 -45.959 -43.449 1.00 0.00 H new ATOM 0 HG23 VAL A 4 46.791 -45.165 -42.739 1.00 0.00 H new ATOM 57 N SER A 5 47.129 -43.459 -40.238 1.00 0.00 N ATOM 58 CA SER A 5 46.018 -43.558 -39.308 1.00 0.00 C ATOM 59 C SER A 5 45.129 -42.319 -39.420 1.00 0.00 C ATOM 60 O SER A 5 45.582 -41.263 -39.859 1.00 0.00 O ATOM 61 CB SER A 5 46.515 -43.726 -37.871 1.00 0.00 C ATOM 62 OG SER A 5 47.263 -42.595 -37.430 1.00 0.00 O ATOM 0 H SER A 5 47.231 -42.548 -40.685 1.00 0.00 H new ATOM 0 HA SER A 5 45.434 -44.441 -39.567 1.00 0.00 H new ATOM 0 HB2 SER A 5 45.663 -43.879 -37.208 1.00 0.00 H new ATOM 0 HB3 SER A 5 47.135 -44.620 -37.804 1.00 0.00 H new ATOM 0 HG SER A 5 47.561 -42.740 -36.508 1.00 0.00 H new ATOM 68 N GLY A 6 43.878 -42.487 -39.016 1.00 0.00 N ATOM 69 CA GLY A 6 42.921 -41.395 -39.066 1.00 0.00 C ATOM 70 C GLY A 6 42.774 -40.732 -37.696 1.00 0.00 C ATOM 71 O GLY A 6 43.268 -41.251 -36.695 1.00 0.00 O ATOM 0 H GLY A 6 43.505 -43.364 -38.652 1.00 0.00 H new ATOM 0 HA2 GLY A 6 43.245 -40.656 -39.799 1.00 0.00 H new ATOM 0 HA3 GLY A 6 41.953 -41.770 -39.398 1.00 0.00 H new ATOM 75 N GLN A 7 42.093 -39.595 -37.693 1.00 0.00 N ATOM 76 CA GLN A 7 41.875 -38.855 -36.461 1.00 0.00 C ATOM 77 C GLN A 7 40.663 -37.934 -36.604 1.00 0.00 C ATOM 78 O GLN A 7 40.814 -36.723 -36.754 1.00 0.00 O ATOM 79 CB GLN A 7 43.124 -38.063 -36.070 1.00 0.00 C ATOM 80 CG GLN A 7 43.025 -37.562 -34.628 1.00 0.00 C ATOM 81 CD GLN A 7 44.415 -37.347 -34.025 1.00 0.00 C ATOM 82 OE1 GLN A 7 45.103 -38.278 -33.638 1.00 0.00 O ATOM 83 NE2 GLN A 7 44.789 -36.072 -33.967 1.00 0.00 N ATOM 0 H GLN A 7 41.685 -39.168 -38.525 1.00 0.00 H new ATOM 0 HA GLN A 7 41.672 -39.568 -35.662 1.00 0.00 H new ATOM 0 HB2 GLN A 7 44.007 -38.692 -36.181 1.00 0.00 H new ATOM 0 HB3 GLN A 7 43.249 -37.217 -36.745 1.00 0.00 H new ATOM 0 HG2 GLN A 7 42.465 -36.627 -34.602 1.00 0.00 H new ATOM 0 HG3 GLN A 7 42.471 -38.283 -34.026 1.00 0.00 H new ATOM 0 HE21 GLN A 7 44.165 -35.341 -34.308 1.00 0.00 H new ATOM 0 HE22 GLN A 7 45.700 -35.825 -33.581 1.00 0.00 H new ATOM 92 N LYS A 8 39.487 -38.543 -36.551 1.00 0.00 N ATOM 93 CA LYS A 8 38.249 -37.792 -36.672 1.00 0.00 C ATOM 94 C LYS A 8 37.063 -38.736 -36.469 1.00 0.00 C ATOM 95 O LYS A 8 37.245 -39.942 -36.312 1.00 0.00 O ATOM 96 CB LYS A 8 38.211 -37.032 -37.999 1.00 0.00 C ATOM 97 CG LYS A 8 38.452 -35.536 -37.783 1.00 0.00 C ATOM 98 CD LYS A 8 37.128 -34.778 -37.673 1.00 0.00 C ATOM 99 CE LYS A 8 37.307 -33.476 -36.890 1.00 0.00 C ATOM 100 NZ LYS A 8 36.538 -33.521 -35.626 1.00 0.00 N ATOM 0 H LYS A 8 39.366 -39.548 -36.426 1.00 0.00 H new ATOM 0 HA LYS A 8 38.187 -37.031 -35.894 1.00 0.00 H new ATOM 0 HB2 LYS A 8 38.969 -37.432 -38.673 1.00 0.00 H new ATOM 0 HB3 LYS A 8 37.245 -37.182 -38.480 1.00 0.00 H new ATOM 0 HG2 LYS A 8 39.038 -35.386 -36.876 1.00 0.00 H new ATOM 0 HG3 LYS A 8 39.037 -35.135 -38.611 1.00 0.00 H new ATOM 0 HD2 LYS A 8 36.747 -34.558 -38.670 1.00 0.00 H new ATOM 0 HD3 LYS A 8 36.386 -35.405 -37.179 1.00 0.00 H new ATOM 0 HE2 LYS A 8 38.364 -33.317 -36.674 1.00 0.00 H new ATOM 0 HE3 LYS A 8 36.975 -32.632 -37.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 36.671 -32.630 -35.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 35.528 -33.651 -35.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 36.874 -34.314 -35.043 1.00 0.00 H new ATOM 114 N GLN A 9 35.874 -38.152 -36.480 1.00 0.00 N ATOM 115 CA GLN A 9 34.657 -38.926 -36.298 1.00 0.00 C ATOM 116 C GLN A 9 33.444 -38.127 -36.778 1.00 0.00 C ATOM 117 O GLN A 9 33.353 -36.925 -36.536 1.00 0.00 O ATOM 118 CB GLN A 9 34.492 -39.353 -34.840 1.00 0.00 C ATOM 119 CG GLN A 9 34.612 -40.872 -34.696 1.00 0.00 C ATOM 120 CD GLN A 9 35.471 -41.242 -33.484 1.00 0.00 C ATOM 121 OE1 GLN A 9 36.679 -41.073 -33.472 1.00 0.00 O ATOM 122 NE2 GLN A 9 34.782 -41.755 -32.469 1.00 0.00 N ATOM 0 H GLN A 9 35.727 -37.151 -36.612 1.00 0.00 H new ATOM 0 HA GLN A 9 34.731 -39.832 -36.900 1.00 0.00 H new ATOM 0 HB2 GLN A 9 35.249 -38.865 -34.227 1.00 0.00 H new ATOM 0 HB3 GLN A 9 33.521 -39.025 -34.469 1.00 0.00 H new ATOM 0 HG2 GLN A 9 33.620 -41.310 -34.590 1.00 0.00 H new ATOM 0 HG3 GLN A 9 35.052 -41.293 -35.600 1.00 0.00 H new ATOM 0 HE21 GLN A 9 33.771 -41.870 -32.545 1.00 0.00 H new ATOM 0 HE22 GLN A 9 35.264 -42.034 -31.615 1.00 0.00 H new ATOM 131 N ASP A 10 32.541 -38.829 -37.448 1.00 0.00 N ATOM 132 CA ASP A 10 31.336 -38.200 -37.962 1.00 0.00 C ATOM 133 C ASP A 10 30.201 -38.380 -36.953 1.00 0.00 C ATOM 134 O ASP A 10 29.618 -39.459 -36.855 1.00 0.00 O ATOM 135 CB ASP A 10 30.902 -38.840 -39.282 1.00 0.00 C ATOM 136 CG ASP A 10 31.380 -38.114 -40.541 1.00 0.00 C ATOM 137 OD1 ASP A 10 32.578 -37.759 -40.571 1.00 0.00 O ATOM 138 OD2 ASP A 10 30.535 -37.930 -41.444 1.00 0.00 O ATOM 0 H ASP A 10 32.620 -39.826 -37.647 1.00 0.00 H new ATOM 0 HA ASP A 10 31.550 -37.144 -38.126 1.00 0.00 H new ATOM 0 HB2 ASP A 10 31.271 -39.865 -39.310 1.00 0.00 H new ATOM 0 HB3 ASP A 10 29.813 -38.892 -39.302 1.00 0.00 H new ATOM 143 N ARG A 11 29.920 -37.308 -36.226 1.00 0.00 N ATOM 144 CA ARG A 11 28.865 -37.335 -35.228 1.00 0.00 C ATOM 145 C ARG A 11 28.750 -35.973 -34.541 1.00 0.00 C ATOM 146 O ARG A 11 27.675 -35.376 -34.515 1.00 0.00 O ATOM 147 CB ARG A 11 29.131 -38.411 -34.174 1.00 0.00 C ATOM 148 CG ARG A 11 27.841 -39.140 -33.796 1.00 0.00 C ATOM 149 CD ARG A 11 28.145 -40.440 -33.046 1.00 0.00 C ATOM 150 NE ARG A 11 27.007 -41.377 -33.177 1.00 0.00 N ATOM 151 CZ ARG A 11 26.828 -42.200 -34.220 1.00 0.00 C ATOM 152 NH1 ARG A 11 27.711 -42.205 -35.229 1.00 0.00 N ATOM 153 NH2 ARG A 11 25.767 -43.018 -34.255 1.00 0.00 N ATOM 0 H ARG A 11 30.405 -36.415 -36.309 1.00 0.00 H new ATOM 0 HA ARG A 11 27.931 -37.568 -35.739 1.00 0.00 H new ATOM 0 HB2 ARG A 11 29.859 -39.127 -34.556 1.00 0.00 H new ATOM 0 HB3 ARG A 11 29.568 -37.955 -33.286 1.00 0.00 H new ATOM 0 HG2 ARG A 11 27.222 -38.493 -33.174 1.00 0.00 H new ATOM 0 HG3 ARG A 11 27.267 -39.361 -34.696 1.00 0.00 H new ATOM 0 HD2 ARG A 11 29.051 -40.897 -33.445 1.00 0.00 H new ATOM 0 HD3 ARG A 11 28.332 -40.227 -31.994 1.00 0.00 H new ATOM 0 HE ARG A 11 26.316 -41.398 -32.427 1.00 0.00 H new ATOM 0 HH11 ARG A 11 28.519 -41.583 -35.203 1.00 0.00 H new ATOM 0 HH12 ARG A 11 27.575 -42.831 -36.023 1.00 0.00 H new ATOM 0 HH21 ARG A 11 25.095 -43.015 -33.488 1.00 0.00 H new ATOM 0 HH22 ARG A 11 25.632 -43.644 -35.049 1.00 0.00 H new ATOM 167 N GLN A 12 29.873 -35.523 -34.001 1.00 0.00 N ATOM 168 CA GLN A 12 29.912 -34.242 -33.314 1.00 0.00 C ATOM 169 C GLN A 12 29.035 -34.284 -32.061 1.00 0.00 C ATOM 170 O GLN A 12 27.914 -34.789 -32.102 1.00 0.00 O ATOM 171 CB GLN A 12 29.483 -33.107 -34.246 1.00 0.00 C ATOM 172 CG GLN A 12 30.690 -32.505 -34.968 1.00 0.00 C ATOM 173 CD GLN A 12 30.379 -32.264 -36.447 1.00 0.00 C ATOM 174 OE1 GLN A 12 29.396 -31.637 -36.807 1.00 0.00 O ATOM 175 NE2 GLN A 12 31.270 -32.794 -37.280 1.00 0.00 N ATOM 0 H GLN A 12 30.762 -36.022 -34.025 1.00 0.00 H new ATOM 0 HA GLN A 12 30.940 -34.048 -33.007 1.00 0.00 H new ATOM 0 HB2 GLN A 12 28.768 -33.483 -34.977 1.00 0.00 H new ATOM 0 HB3 GLN A 12 28.975 -32.332 -33.672 1.00 0.00 H new ATOM 0 HG2 GLN A 12 30.970 -31.565 -34.494 1.00 0.00 H new ATOM 0 HG3 GLN A 12 31.545 -33.175 -34.877 1.00 0.00 H new ATOM 0 HE21 GLN A 12 32.071 -33.307 -36.911 1.00 0.00 H new ATOM 0 HE22 GLN A 12 31.153 -32.687 -38.288 1.00 0.00 H new ATOM 184 N GLY A 13 29.579 -33.748 -30.979 1.00 0.00 N ATOM 185 CA GLY A 13 28.859 -33.718 -29.717 1.00 0.00 C ATOM 186 C GLY A 13 27.630 -32.811 -29.807 1.00 0.00 C ATOM 187 O GLY A 13 27.747 -31.633 -30.144 1.00 0.00 O ATOM 0 H GLY A 13 30.509 -33.331 -30.950 1.00 0.00 H new ATOM 0 HA2 GLY A 13 28.551 -34.728 -29.446 1.00 0.00 H new ATOM 0 HA3 GLY A 13 29.520 -33.363 -28.926 1.00 0.00 H new ATOM 191 N GLY A 14 26.480 -33.393 -29.500 1.00 0.00 N ATOM 192 CA GLY A 14 25.231 -32.652 -29.544 1.00 0.00 C ATOM 193 C GLY A 14 25.371 -31.300 -28.840 1.00 0.00 C ATOM 194 O GLY A 14 26.117 -31.176 -27.869 1.00 0.00 O ATOM 0 H GLY A 14 26.387 -34.369 -29.220 1.00 0.00 H new ATOM 0 HA2 GLY A 14 24.932 -32.497 -30.581 1.00 0.00 H new ATOM 0 HA3 GLY A 14 24.442 -33.234 -29.068 1.00 0.00 H new ATOM 198 N GLU A 15 24.643 -30.321 -29.357 1.00 0.00 N ATOM 199 CA GLU A 15 24.677 -28.984 -28.791 1.00 0.00 C ATOM 200 C GLU A 15 23.937 -28.956 -27.452 1.00 0.00 C ATOM 201 O GLU A 15 22.793 -29.398 -27.361 1.00 0.00 O ATOM 202 CB GLU A 15 24.088 -27.962 -29.765 1.00 0.00 C ATOM 203 CG GLU A 15 24.967 -26.712 -29.846 1.00 0.00 C ATOM 204 CD GLU A 15 25.456 -26.479 -31.278 1.00 0.00 C ATOM 205 OE1 GLU A 15 26.611 -26.018 -31.413 1.00 0.00 O ATOM 206 OE2 GLU A 15 24.667 -26.767 -32.202 1.00 0.00 O ATOM 0 H GLU A 15 24.026 -30.428 -30.162 1.00 0.00 H new ATOM 0 HA GLU A 15 25.717 -28.711 -28.614 1.00 0.00 H new ATOM 0 HB2 GLU A 15 23.994 -28.410 -30.754 1.00 0.00 H new ATOM 0 HB3 GLU A 15 23.084 -27.685 -29.444 1.00 0.00 H new ATOM 0 HG2 GLU A 15 24.404 -25.844 -29.504 1.00 0.00 H new ATOM 0 HG3 GLU A 15 25.822 -26.820 -29.179 1.00 0.00 H new ATOM 213 N ARG A 16 24.621 -28.432 -26.445 1.00 0.00 N ATOM 214 CA ARG A 16 24.042 -28.339 -25.116 1.00 0.00 C ATOM 215 C ARG A 16 24.563 -27.094 -24.396 1.00 0.00 C ATOM 216 O ARG A 16 25.556 -26.501 -24.813 1.00 0.00 O ATOM 217 CB ARG A 16 24.378 -29.578 -24.282 1.00 0.00 C ATOM 218 CG ARG A 16 23.265 -30.623 -24.381 1.00 0.00 C ATOM 219 CD ARG A 16 22.526 -30.763 -23.048 1.00 0.00 C ATOM 220 NE ARG A 16 21.305 -31.580 -23.231 1.00 0.00 N ATOM 221 CZ ARG A 16 20.123 -31.086 -23.627 1.00 0.00 C ATOM 222 NH1 ARG A 16 19.997 -29.777 -23.885 1.00 0.00 N ATOM 223 NH2 ARG A 16 19.069 -31.901 -23.765 1.00 0.00 N ATOM 0 H ARG A 16 25.571 -28.068 -26.523 1.00 0.00 H new ATOM 0 HA ARG A 16 22.960 -28.272 -25.230 1.00 0.00 H new ATOM 0 HB2 ARG A 16 25.318 -30.009 -24.627 1.00 0.00 H new ATOM 0 HB3 ARG A 16 24.521 -29.292 -23.240 1.00 0.00 H new ATOM 0 HG2 ARG A 16 22.561 -30.338 -25.163 1.00 0.00 H new ATOM 0 HG3 ARG A 16 23.689 -31.585 -24.669 1.00 0.00 H new ATOM 0 HD2 ARG A 16 23.178 -31.228 -22.308 1.00 0.00 H new ATOM 0 HD3 ARG A 16 22.261 -29.778 -22.664 1.00 0.00 H new ATOM 0 HE ARG A 16 21.367 -32.581 -23.044 1.00 0.00 H new ATOM 0 HH11 ARG A 16 20.800 -29.157 -23.780 1.00 0.00 H new ATOM 0 HH12 ARG A 16 19.098 -29.401 -24.186 1.00 0.00 H new ATOM 0 HH21 ARG A 16 19.166 -32.897 -23.569 1.00 0.00 H new ATOM 0 HH22 ARG A 16 18.170 -31.525 -24.066 1.00 0.00 H new ATOM 237 N ARG A 17 23.867 -26.733 -23.328 1.00 0.00 N ATOM 238 CA ARG A 17 24.246 -25.568 -22.546 1.00 0.00 C ATOM 239 C ARG A 17 24.497 -25.965 -21.091 1.00 0.00 C ATOM 240 O ARG A 17 23.571 -25.993 -20.282 1.00 0.00 O ATOM 241 CB ARG A 17 23.156 -24.494 -22.594 1.00 0.00 C ATOM 242 CG ARG A 17 23.316 -23.606 -23.829 1.00 0.00 C ATOM 243 CD ARG A 17 24.484 -22.632 -23.656 1.00 0.00 C ATOM 244 NE ARG A 17 24.167 -21.645 -22.599 1.00 0.00 N ATOM 245 CZ ARG A 17 25.026 -20.715 -22.159 1.00 0.00 C ATOM 246 NH1 ARG A 17 26.257 -20.639 -22.682 1.00 0.00 N ATOM 247 NH2 ARG A 17 24.652 -19.862 -21.197 1.00 0.00 N ATOM 0 H ARG A 17 23.043 -27.227 -22.986 1.00 0.00 H new ATOM 0 HA ARG A 17 25.160 -25.161 -22.978 1.00 0.00 H new ATOM 0 HB2 ARG A 17 22.174 -24.967 -22.607 1.00 0.00 H new ATOM 0 HB3 ARG A 17 23.203 -23.882 -21.693 1.00 0.00 H new ATOM 0 HG2 ARG A 17 23.483 -24.227 -24.709 1.00 0.00 H new ATOM 0 HG3 ARG A 17 22.395 -23.049 -24.002 1.00 0.00 H new ATOM 0 HD2 ARG A 17 25.389 -23.180 -23.394 1.00 0.00 H new ATOM 0 HD3 ARG A 17 24.683 -22.119 -24.597 1.00 0.00 H new ATOM 0 HE ARG A 17 23.238 -21.675 -22.180 1.00 0.00 H new ATOM 0 HH11 ARG A 17 26.541 -21.289 -23.415 1.00 0.00 H new ATOM 0 HH12 ARG A 17 26.911 -19.931 -22.347 1.00 0.00 H new ATOM 0 HH21 ARG A 17 23.714 -19.920 -20.800 1.00 0.00 H new ATOM 0 HH22 ARG A 17 25.305 -19.154 -20.861 1.00 0.00 H new ATOM 261 N ARG A 18 25.756 -26.261 -20.800 1.00 0.00 N ATOM 262 CA ARG A 18 26.141 -26.655 -19.457 1.00 0.00 C ATOM 263 C ARG A 18 27.285 -25.773 -18.952 1.00 0.00 C ATOM 264 O ARG A 18 28.408 -26.242 -18.781 1.00 0.00 O ATOM 265 CB ARG A 18 26.582 -28.119 -19.416 1.00 0.00 C ATOM 266 CG ARG A 18 25.381 -29.057 -19.559 1.00 0.00 C ATOM 267 CD ARG A 18 24.925 -29.575 -18.193 1.00 0.00 C ATOM 268 NE ARG A 18 23.652 -28.927 -17.806 1.00 0.00 N ATOM 269 CZ ARG A 18 22.448 -29.306 -18.255 1.00 0.00 C ATOM 270 NH1 ARG A 18 22.345 -30.332 -19.111 1.00 0.00 N ATOM 271 NH2 ARG A 18 21.347 -28.660 -17.848 1.00 0.00 N ATOM 0 H ARG A 18 26.522 -26.235 -21.473 1.00 0.00 H new ATOM 0 HA ARG A 18 25.269 -26.531 -18.814 1.00 0.00 H new ATOM 0 HB2 ARG A 18 27.295 -28.310 -20.218 1.00 0.00 H new ATOM 0 HB3 ARG A 18 27.097 -28.322 -18.477 1.00 0.00 H new ATOM 0 HG2 ARG A 18 24.560 -28.531 -20.045 1.00 0.00 H new ATOM 0 HG3 ARG A 18 25.645 -29.897 -20.201 1.00 0.00 H new ATOM 0 HD2 ARG A 18 24.796 -30.657 -18.230 1.00 0.00 H new ATOM 0 HD3 ARG A 18 25.689 -29.370 -17.443 1.00 0.00 H new ATOM 0 HE ARG A 18 23.694 -28.142 -17.156 1.00 0.00 H new ATOM 0 HH11 ARG A 18 23.183 -30.824 -19.420 1.00 0.00 H new ATOM 0 HH12 ARG A 18 21.428 -30.621 -19.453 1.00 0.00 H new ATOM 0 HH21 ARG A 18 21.425 -27.879 -17.196 1.00 0.00 H new ATOM 0 HH22 ARG A 18 20.430 -28.949 -18.190 1.00 0.00 H new ATOM 285 N SER A 19 26.959 -24.508 -18.728 1.00 0.00 N ATOM 286 CA SER A 19 27.945 -23.555 -18.247 1.00 0.00 C ATOM 287 C SER A 19 29.291 -23.804 -18.929 1.00 0.00 C ATOM 288 O SER A 19 29.337 -24.278 -20.063 1.00 0.00 O ATOM 289 CB SER A 19 28.097 -23.640 -16.727 1.00 0.00 C ATOM 290 OG SER A 19 28.243 -22.353 -16.132 1.00 0.00 O ATOM 0 H SER A 19 26.026 -24.121 -18.871 1.00 0.00 H new ATOM 0 HA SER A 19 27.600 -22.552 -18.496 1.00 0.00 H new ATOM 0 HB2 SER A 19 27.225 -24.139 -16.303 1.00 0.00 H new ATOM 0 HB3 SER A 19 28.965 -24.253 -16.483 1.00 0.00 H new ATOM 0 HG SER A 19 29.148 -22.016 -16.299 1.00 0.00 H new ATOM 296 N GLN A 20 30.354 -23.476 -18.209 1.00 0.00 N ATOM 297 CA GLN A 20 31.697 -23.658 -18.731 1.00 0.00 C ATOM 298 C GLN A 20 32.233 -25.039 -18.347 1.00 0.00 C ATOM 299 O GLN A 20 33.435 -25.209 -18.147 1.00 0.00 O ATOM 300 CB GLN A 20 32.631 -22.551 -18.240 1.00 0.00 C ATOM 301 CG GLN A 20 32.836 -22.638 -16.726 1.00 0.00 C ATOM 302 CD GLN A 20 31.815 -21.773 -15.985 1.00 0.00 C ATOM 303 OE1 GLN A 20 31.093 -20.981 -16.568 1.00 0.00 O ATOM 304 NE2 GLN A 20 31.792 -21.970 -14.669 1.00 0.00 N ATOM 0 H GLN A 20 30.312 -23.085 -17.268 1.00 0.00 H new ATOM 0 HA GLN A 20 31.655 -23.596 -19.818 1.00 0.00 H new ATOM 0 HB2 GLN A 20 33.593 -22.631 -18.746 1.00 0.00 H new ATOM 0 HB3 GLN A 20 32.215 -21.577 -18.499 1.00 0.00 H new ATOM 0 HG2 GLN A 20 32.744 -23.675 -16.402 1.00 0.00 H new ATOM 0 HG3 GLN A 20 33.845 -22.313 -16.473 1.00 0.00 H new ATOM 0 HE21 GLN A 20 32.424 -22.649 -14.244 1.00 0.00 H new ATOM 0 HE22 GLN A 20 31.143 -21.442 -14.086 1.00 0.00 H new ATOM 313 N LEU A 21 31.315 -25.990 -18.252 1.00 0.00 N ATOM 314 CA LEU A 21 31.680 -27.350 -17.895 1.00 0.00 C ATOM 315 C LEU A 21 32.550 -27.948 -19.003 1.00 0.00 C ATOM 316 O LEU A 21 32.051 -28.662 -19.871 1.00 0.00 O ATOM 317 CB LEU A 21 30.430 -28.175 -17.582 1.00 0.00 C ATOM 318 CG LEU A 21 30.609 -29.302 -16.563 1.00 0.00 C ATOM 319 CD1 LEU A 21 29.879 -30.569 -17.013 1.00 0.00 C ATOM 320 CD2 LEU A 21 32.091 -29.563 -16.288 1.00 0.00 C ATOM 0 H LEU A 21 30.319 -25.845 -18.416 1.00 0.00 H new ATOM 0 HA LEU A 21 32.276 -27.357 -16.982 1.00 0.00 H new ATOM 0 HB2 LEU A 21 29.656 -27.501 -17.216 1.00 0.00 H new ATOM 0 HB3 LEU A 21 30.062 -28.608 -18.512 1.00 0.00 H new ATOM 0 HG LEU A 21 30.158 -28.986 -15.623 1.00 0.00 H new ATOM 0 HD11 LEU A 21 30.022 -31.354 -16.271 1.00 0.00 H new ATOM 0 HD12 LEU A 21 28.815 -30.358 -17.117 1.00 0.00 H new ATOM 0 HD13 LEU A 21 30.279 -30.898 -17.972 1.00 0.00 H new ATOM 0 HD21 LEU A 21 32.190 -30.369 -15.560 1.00 0.00 H new ATOM 0 HD22 LEU A 21 32.588 -29.848 -17.215 1.00 0.00 H new ATOM 0 HD23 LEU A 21 32.552 -28.658 -15.892 1.00 0.00 H new ATOM 332 N ASP A 22 33.835 -27.634 -18.936 1.00 0.00 N ATOM 333 CA ASP A 22 34.780 -28.132 -19.922 1.00 0.00 C ATOM 334 C ASP A 22 34.797 -29.660 -19.878 1.00 0.00 C ATOM 335 O ASP A 22 34.426 -30.261 -18.871 1.00 0.00 O ATOM 336 CB ASP A 22 36.196 -27.633 -19.629 1.00 0.00 C ATOM 337 CG ASP A 22 36.959 -27.102 -20.844 1.00 0.00 C ATOM 338 OD1 ASP A 22 36.566 -27.478 -21.969 1.00 0.00 O ATOM 339 OD2 ASP A 22 37.917 -26.332 -20.619 1.00 0.00 O ATOM 0 H ASP A 22 34.245 -27.041 -18.214 1.00 0.00 H new ATOM 0 HA ASP A 22 34.467 -27.771 -20.902 1.00 0.00 H new ATOM 0 HB2 ASP A 22 36.139 -26.842 -18.881 1.00 0.00 H new ATOM 0 HB3 ASP A 22 36.768 -28.449 -19.188 1.00 0.00 H new ATOM 344 N ARG A 23 35.234 -30.247 -20.983 1.00 0.00 N ATOM 345 CA ARG A 23 35.306 -31.695 -21.084 1.00 0.00 C ATOM 346 C ARG A 23 36.369 -32.241 -20.129 1.00 0.00 C ATOM 347 O ARG A 23 36.484 -33.453 -19.950 1.00 0.00 O ATOM 348 CB ARG A 23 35.639 -32.132 -22.512 1.00 0.00 C ATOM 349 CG ARG A 23 34.377 -32.196 -23.374 1.00 0.00 C ATOM 350 CD ARG A 23 33.415 -33.269 -22.859 1.00 0.00 C ATOM 351 NE ARG A 23 33.352 -34.394 -23.818 1.00 0.00 N ATOM 352 CZ ARG A 23 32.455 -35.388 -23.751 1.00 0.00 C ATOM 353 NH1 ARG A 23 31.541 -35.401 -22.772 1.00 0.00 N ATOM 354 NH2 ARG A 23 32.473 -36.368 -24.665 1.00 0.00 N ATOM 0 H ARG A 23 35.542 -29.746 -21.816 1.00 0.00 H new ATOM 0 HA ARG A 23 34.329 -32.095 -20.813 1.00 0.00 H new ATOM 0 HB2 ARG A 23 36.350 -31.434 -22.953 1.00 0.00 H new ATOM 0 HB3 ARG A 23 36.121 -33.109 -22.494 1.00 0.00 H new ATOM 0 HG2 ARG A 23 33.881 -31.226 -23.371 1.00 0.00 H new ATOM 0 HG3 ARG A 23 34.649 -32.412 -24.407 1.00 0.00 H new ATOM 0 HD2 ARG A 23 33.746 -33.629 -21.885 1.00 0.00 H new ATOM 0 HD3 ARG A 23 32.422 -32.842 -22.720 1.00 0.00 H new ATOM 0 HE ARG A 23 34.033 -34.414 -24.577 1.00 0.00 H new ATOM 0 HH11 ARG A 23 31.527 -34.654 -22.077 1.00 0.00 H new ATOM 0 HH12 ARG A 23 30.859 -36.157 -22.721 1.00 0.00 H new ATOM 0 HH21 ARG A 23 33.169 -36.357 -25.411 1.00 0.00 H new ATOM 0 HH22 ARG A 23 31.791 -37.125 -24.615 1.00 0.00 H new ATOM 368 N ASP A 24 37.119 -31.321 -19.540 1.00 0.00 N ATOM 369 CA ASP A 24 38.169 -31.695 -18.608 1.00 0.00 C ATOM 370 C ASP A 24 38.012 -30.889 -17.318 1.00 0.00 C ATOM 371 O ASP A 24 38.979 -30.683 -16.588 1.00 0.00 O ATOM 372 CB ASP A 24 39.553 -31.395 -19.187 1.00 0.00 C ATOM 373 CG ASP A 24 40.405 -32.627 -19.500 1.00 0.00 C ATOM 374 OD1 ASP A 24 39.799 -33.665 -19.841 1.00 0.00 O ATOM 375 OD2 ASP A 24 41.644 -32.503 -19.390 1.00 0.00 O ATOM 0 H ASP A 24 37.020 -30.317 -19.690 1.00 0.00 H new ATOM 0 HA ASP A 24 38.083 -32.764 -18.416 1.00 0.00 H new ATOM 0 HB2 ASP A 24 39.430 -30.816 -20.102 1.00 0.00 H new ATOM 0 HB3 ASP A 24 40.096 -30.766 -18.482 1.00 0.00 H new ATOM 380 N GLN A 25 36.784 -30.453 -17.078 1.00 0.00 N ATOM 381 CA GLN A 25 36.487 -29.673 -15.888 1.00 0.00 C ATOM 382 C GLN A 25 35.567 -30.460 -14.953 1.00 0.00 C ATOM 383 O GLN A 25 34.470 -30.856 -15.344 1.00 0.00 O ATOM 384 CB GLN A 25 35.868 -28.323 -16.257 1.00 0.00 C ATOM 385 CG GLN A 25 36.319 -27.228 -15.289 1.00 0.00 C ATOM 386 CD GLN A 25 35.144 -26.716 -14.453 1.00 0.00 C ATOM 387 OE1 GLN A 25 34.271 -27.461 -14.039 1.00 0.00 O ATOM 388 NE2 GLN A 25 35.170 -25.405 -14.230 1.00 0.00 N ATOM 0 H GLN A 25 35.984 -30.625 -17.687 1.00 0.00 H new ATOM 0 HA GLN A 25 37.422 -29.476 -15.364 1.00 0.00 H new ATOM 0 HB2 GLN A 25 36.154 -28.054 -17.274 1.00 0.00 H new ATOM 0 HB3 GLN A 25 34.781 -28.401 -16.242 1.00 0.00 H new ATOM 0 HG2 GLN A 25 37.096 -27.617 -14.631 1.00 0.00 H new ATOM 0 HG3 GLN A 25 36.759 -26.402 -15.848 1.00 0.00 H new ATOM 0 HE21 GLN A 25 35.931 -24.839 -14.606 1.00 0.00 H new ATOM 0 HE22 GLN A 25 34.429 -24.966 -13.683 1.00 0.00 H new ATOM 397 N CYS A 26 36.048 -30.662 -13.735 1.00 0.00 N ATOM 398 CA CYS A 26 35.283 -31.395 -12.741 1.00 0.00 C ATOM 399 C CYS A 26 33.908 -30.736 -12.610 1.00 0.00 C ATOM 400 O CYS A 26 33.813 -29.524 -12.422 1.00 0.00 O ATOM 401 CB CYS A 26 36.014 -31.460 -11.398 1.00 0.00 C ATOM 402 SG CYS A 26 34.959 -32.283 -10.150 1.00 0.00 S ATOM 0 H CYS A 26 36.958 -30.331 -13.414 1.00 0.00 H new ATOM 0 HA CYS A 26 35.161 -32.429 -13.064 1.00 0.00 H new ATOM 0 HB2 CYS A 26 36.951 -32.005 -11.511 1.00 0.00 H new ATOM 0 HB3 CYS A 26 36.269 -30.454 -11.064 1.00 0.00 H new ATOM 407 N ALA A 27 32.878 -31.563 -12.715 1.00 0.00 N ATOM 408 CA ALA A 27 31.513 -31.075 -12.611 1.00 0.00 C ATOM 409 C ALA A 27 30.993 -31.328 -11.195 1.00 0.00 C ATOM 410 O ALA A 27 29.815 -31.633 -11.008 1.00 0.00 O ATOM 411 CB ALA A 27 30.649 -31.747 -13.679 1.00 0.00 C ATOM 0 H ALA A 27 32.961 -32.568 -12.871 1.00 0.00 H new ATOM 0 HA ALA A 27 31.474 -30.000 -12.789 1.00 0.00 H new ATOM 0 HB1 ALA A 27 29.625 -31.381 -13.602 1.00 0.00 H new ATOM 0 HB2 ALA A 27 31.044 -31.512 -14.667 1.00 0.00 H new ATOM 0 HB3 ALA A 27 30.661 -32.827 -13.530 1.00 0.00 H new ATOM 417 N TYR A 28 31.895 -31.193 -10.234 1.00 0.00 N ATOM 418 CA TYR A 28 31.540 -31.403 -8.840 1.00 0.00 C ATOM 419 C TYR A 28 32.037 -30.249 -7.968 1.00 0.00 C ATOM 420 O TYR A 28 31.261 -29.649 -7.226 1.00 0.00 O ATOM 421 CB TYR A 28 32.250 -32.690 -8.415 1.00 0.00 C ATOM 422 CG TYR A 28 31.590 -33.403 -7.233 1.00 0.00 C ATOM 423 CD1 TYR A 28 30.410 -34.095 -7.417 1.00 0.00 C ATOM 424 CD2 TYR A 28 32.173 -33.355 -5.984 1.00 0.00 C ATOM 425 CE1 TYR A 28 29.788 -34.767 -6.305 1.00 0.00 C ATOM 426 CE2 TYR A 28 31.552 -34.026 -4.872 1.00 0.00 C ATOM 427 CZ TYR A 28 30.390 -34.699 -5.088 1.00 0.00 C ATOM 428 OH TYR A 28 29.803 -35.332 -4.037 1.00 0.00 O ATOM 0 H TYR A 28 32.871 -30.941 -10.393 1.00 0.00 H new ATOM 0 HA TYR A 28 30.458 -31.464 -8.724 1.00 0.00 H new ATOM 0 HB2 TYR A 28 32.284 -33.372 -9.265 1.00 0.00 H new ATOM 0 HB3 TYR A 28 33.282 -32.455 -8.154 1.00 0.00 H new ATOM 0 HD1 TYR A 28 29.953 -34.133 -8.395 1.00 0.00 H new ATOM 0 HD2 TYR A 28 33.096 -32.814 -5.840 1.00 0.00 H new ATOM 0 HE1 TYR A 28 28.865 -35.312 -6.435 1.00 0.00 H new ATOM 0 HE2 TYR A 28 31.998 -33.996 -3.889 1.00 0.00 H new ATOM 0 HH TYR A 28 30.445 -35.406 -3.300 1.00 0.00 H new ATOM 438 N CYS A 29 33.327 -29.972 -8.087 1.00 0.00 N ATOM 439 CA CYS A 29 33.936 -28.900 -7.319 1.00 0.00 C ATOM 440 C CYS A 29 34.259 -27.748 -8.274 1.00 0.00 C ATOM 441 O CYS A 29 34.463 -26.615 -7.839 1.00 0.00 O ATOM 442 CB CYS A 29 35.177 -29.379 -6.564 1.00 0.00 C ATOM 443 SG CYS A 29 36.470 -29.900 -7.750 1.00 0.00 S ATOM 0 H CYS A 29 33.967 -30.472 -8.704 1.00 0.00 H new ATOM 0 HA CYS A 29 33.238 -28.554 -6.556 1.00 0.00 H new ATOM 0 HB2 CYS A 29 35.557 -28.580 -5.928 1.00 0.00 H new ATOM 0 HB3 CYS A 29 34.916 -30.211 -5.910 1.00 0.00 H new ATOM 448 N LYS A 30 34.296 -28.077 -9.556 1.00 0.00 N ATOM 449 CA LYS A 30 34.590 -27.085 -10.575 1.00 0.00 C ATOM 450 C LYS A 30 36.104 -27.002 -10.779 1.00 0.00 C ATOM 451 O LYS A 30 36.615 -25.994 -11.262 1.00 0.00 O ATOM 452 CB LYS A 30 33.943 -25.744 -10.220 1.00 0.00 C ATOM 453 CG LYS A 30 32.558 -25.949 -9.603 1.00 0.00 C ATOM 454 CD LYS A 30 31.512 -25.080 -10.303 1.00 0.00 C ATOM 455 CE LYS A 30 30.407 -25.941 -10.919 1.00 0.00 C ATOM 456 NZ LYS A 30 29.188 -25.134 -11.146 1.00 0.00 N ATOM 0 H LYS A 30 34.127 -29.018 -9.913 1.00 0.00 H new ATOM 0 HA LYS A 30 34.155 -27.380 -11.530 1.00 0.00 H new ATOM 0 HB2 LYS A 30 34.580 -25.203 -9.520 1.00 0.00 H new ATOM 0 HB3 LYS A 30 33.858 -25.129 -11.116 1.00 0.00 H new ATOM 0 HG2 LYS A 30 32.274 -26.999 -9.679 1.00 0.00 H new ATOM 0 HG3 LYS A 30 32.589 -25.703 -8.542 1.00 0.00 H new ATOM 0 HD2 LYS A 30 31.077 -24.381 -9.588 1.00 0.00 H new ATOM 0 HD3 LYS A 30 31.990 -24.485 -11.081 1.00 0.00 H new ATOM 0 HE2 LYS A 30 30.751 -26.364 -11.863 1.00 0.00 H new ATOM 0 HE3 LYS A 30 30.179 -26.778 -10.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 28.448 -25.733 -11.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 28.852 -24.751 -10.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 29.406 -24.350 -11.794 1.00 0.00 H new ATOM 470 N GLU A 31 36.780 -28.077 -10.400 1.00 0.00 N ATOM 471 CA GLU A 31 38.225 -28.140 -10.535 1.00 0.00 C ATOM 472 C GLU A 31 38.607 -28.666 -11.920 1.00 0.00 C ATOM 473 O GLU A 31 38.200 -29.760 -12.305 1.00 0.00 O ATOM 474 CB GLU A 31 38.842 -29.002 -9.431 1.00 0.00 C ATOM 475 CG GLU A 31 40.365 -29.062 -9.570 1.00 0.00 C ATOM 476 CD GLU A 31 41.044 -28.936 -8.205 1.00 0.00 C ATOM 477 OE1 GLU A 31 41.238 -27.780 -7.771 1.00 0.00 O ATOM 478 OE2 GLU A 31 41.355 -29.999 -7.625 1.00 0.00 O ATOM 0 H GLU A 31 36.353 -28.912 -9.999 1.00 0.00 H new ATOM 0 HA GLU A 31 38.624 -27.131 -10.429 1.00 0.00 H new ATOM 0 HB2 GLU A 31 38.578 -28.594 -8.455 1.00 0.00 H new ATOM 0 HB3 GLU A 31 38.429 -30.010 -9.477 1.00 0.00 H new ATOM 0 HG2 GLU A 31 40.654 -30.002 -10.039 1.00 0.00 H new ATOM 0 HG3 GLU A 31 40.706 -28.261 -10.225 1.00 0.00 H new ATOM 485 N LYS A 32 39.384 -27.861 -12.630 1.00 0.00 N ATOM 486 CA LYS A 32 39.824 -28.231 -13.963 1.00 0.00 C ATOM 487 C LYS A 32 41.090 -29.085 -13.858 1.00 0.00 C ATOM 488 O LYS A 32 42.094 -28.648 -13.300 1.00 0.00 O ATOM 489 CB LYS A 32 39.994 -26.986 -14.836 1.00 0.00 C ATOM 490 CG LYS A 32 41.172 -26.135 -14.356 1.00 0.00 C ATOM 491 CD LYS A 32 40.760 -24.671 -14.192 1.00 0.00 C ATOM 492 CE LYS A 32 40.537 -24.327 -12.718 1.00 0.00 C ATOM 493 NZ LYS A 32 40.482 -22.860 -12.532 1.00 0.00 N ATOM 0 H LYS A 32 39.720 -26.954 -12.306 1.00 0.00 H new ATOM 0 HA LYS A 32 39.068 -28.839 -14.459 1.00 0.00 H new ATOM 0 HB2 LYS A 32 40.154 -27.283 -15.872 1.00 0.00 H new ATOM 0 HB3 LYS A 32 39.079 -26.393 -14.812 1.00 0.00 H new ATOM 0 HG2 LYS A 32 41.541 -26.521 -13.406 1.00 0.00 H new ATOM 0 HG3 LYS A 32 41.993 -26.208 -15.070 1.00 0.00 H new ATOM 0 HD2 LYS A 32 41.532 -24.023 -14.608 1.00 0.00 H new ATOM 0 HD3 LYS A 32 39.847 -24.481 -14.756 1.00 0.00 H new ATOM 0 HE2 LYS A 32 39.608 -24.779 -12.369 1.00 0.00 H new ATOM 0 HE3 LYS A 32 41.342 -24.746 -12.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 40.330 -22.643 -11.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 41.378 -22.436 -12.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 39.699 -22.468 -13.093 1.00 0.00 H new ATOM 507 N GLY A 33 40.999 -30.290 -14.405 1.00 0.00 N ATOM 508 CA GLY A 33 42.124 -31.209 -14.379 1.00 0.00 C ATOM 509 C GLY A 33 41.659 -32.636 -14.081 1.00 0.00 C ATOM 510 O GLY A 33 42.106 -33.584 -14.724 1.00 0.00 O ATOM 0 H GLY A 33 40.164 -30.650 -14.868 1.00 0.00 H new ATOM 0 HA2 GLY A 33 42.641 -31.184 -15.338 1.00 0.00 H new ATOM 0 HA3 GLY A 33 42.841 -30.891 -13.622 1.00 0.00 H new ATOM 514 N HIS A 34 40.767 -32.741 -13.107 1.00 0.00 N ATOM 515 CA HIS A 34 40.237 -34.037 -12.716 1.00 0.00 C ATOM 516 C HIS A 34 38.735 -34.086 -13.007 1.00 0.00 C ATOM 517 O HIS A 34 38.079 -33.048 -13.076 1.00 0.00 O ATOM 518 CB HIS A 34 40.568 -34.340 -11.253 1.00 0.00 C ATOM 519 CG HIS A 34 39.777 -33.520 -10.262 1.00 0.00 C ATOM 520 ND1 HIS A 34 40.338 -32.494 -9.520 1.00 0.00 N ATOM 521 CD2 HIS A 34 38.464 -33.582 -9.900 1.00 0.00 C ATOM 522 CE1 HIS A 34 39.396 -31.971 -8.749 1.00 0.00 C ATOM 523 NE2 HIS A 34 38.235 -32.647 -8.985 1.00 0.00 N ATOM 0 H HIS A 34 40.398 -31.951 -12.577 1.00 0.00 H new ATOM 0 HA HIS A 34 40.712 -34.821 -13.305 1.00 0.00 H new ATOM 0 HB2 HIS A 34 40.386 -35.397 -11.061 1.00 0.00 H new ATOM 0 HB3 HIS A 34 41.631 -34.165 -11.088 1.00 0.00 H new ATOM 0 HD1 HIS A 34 41.311 -32.192 -9.560 1.00 0.00 H new ATOM 0 HD2 HIS A 34 37.733 -34.275 -10.291 1.00 0.00 H new ATOM 0 HE1 HIS A 34 39.525 -31.153 -8.056 1.00 0.00 H new ATOM 531 N TRP A 35 38.236 -35.302 -13.170 1.00 0.00 N ATOM 532 CA TRP A 35 36.825 -35.500 -13.453 1.00 0.00 C ATOM 533 C TRP A 35 36.091 -35.643 -12.118 1.00 0.00 C ATOM 534 O TRP A 35 36.699 -35.989 -11.106 1.00 0.00 O ATOM 535 CB TRP A 35 36.614 -36.697 -14.382 1.00 0.00 C ATOM 536 CG TRP A 35 36.542 -36.328 -15.866 1.00 0.00 C ATOM 537 CD1 TRP A 35 37.268 -35.417 -16.525 1.00 0.00 C ATOM 538 CD2 TRP A 35 35.660 -36.905 -16.853 1.00 0.00 C ATOM 539 NE1 TRP A 35 36.922 -35.363 -17.861 1.00 0.00 N ATOM 540 CE2 TRP A 35 35.912 -36.297 -18.065 1.00 0.00 C ATOM 541 CE3 TRP A 35 34.683 -37.906 -16.725 1.00 0.00 C ATOM 542 CZ2 TRP A 35 35.228 -36.622 -19.243 1.00 0.00 C ATOM 543 CZ3 TRP A 35 34.008 -38.221 -17.910 1.00 0.00 C ATOM 544 CH2 TRP A 35 34.249 -37.618 -19.139 1.00 0.00 C ATOM 0 H TRP A 35 38.784 -36.160 -13.111 1.00 0.00 H new ATOM 0 HA TRP A 35 36.415 -34.642 -13.986 1.00 0.00 H new ATOM 0 HB2 TRP A 35 37.428 -37.407 -14.234 1.00 0.00 H new ATOM 0 HB3 TRP A 35 35.692 -37.205 -14.099 1.00 0.00 H new ATOM 0 HD1 TRP A 35 38.029 -34.801 -16.069 1.00 0.00 H new ATOM 0 HE1 TRP A 35 37.331 -34.751 -18.567 1.00 0.00 H new ATOM 0 HE3 TRP A 35 34.469 -38.394 -15.786 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 35.444 -36.131 -20.181 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 33.247 -38.986 -17.866 1.00 0.00 H new ATOM 0 HH2 TRP A 35 33.684 -37.916 -20.010 1.00 0.00 H new ATOM 555 N ALA A 36 34.796 -35.369 -12.159 1.00 0.00 N ATOM 556 CA ALA A 36 33.973 -35.462 -10.966 1.00 0.00 C ATOM 557 C ALA A 36 34.027 -36.892 -10.424 1.00 0.00 C ATOM 558 O ALA A 36 33.987 -37.105 -9.214 1.00 0.00 O ATOM 559 CB ALA A 36 32.546 -35.016 -11.292 1.00 0.00 C ATOM 0 H ALA A 36 34.296 -35.082 -13.001 1.00 0.00 H new ATOM 0 HA ALA A 36 34.351 -34.799 -10.188 1.00 0.00 H new ATOM 0 HB1 ALA A 36 31.929 -35.086 -10.396 1.00 0.00 H new ATOM 0 HB2 ALA A 36 32.559 -33.984 -11.644 1.00 0.00 H new ATOM 0 HB3 ALA A 36 32.132 -35.659 -12.069 1.00 0.00 H new ATOM 565 N LYS A 37 34.118 -37.837 -11.348 1.00 0.00 N ATOM 566 CA LYS A 37 34.178 -39.242 -10.980 1.00 0.00 C ATOM 567 C LYS A 37 35.487 -39.512 -10.233 1.00 0.00 C ATOM 568 O LYS A 37 35.664 -40.583 -9.654 1.00 0.00 O ATOM 569 CB LYS A 37 33.978 -40.128 -12.211 1.00 0.00 C ATOM 570 CG LYS A 37 32.491 -40.389 -12.463 1.00 0.00 C ATOM 571 CD LYS A 37 32.012 -39.662 -13.720 1.00 0.00 C ATOM 572 CE LYS A 37 30.824 -38.750 -13.407 1.00 0.00 C ATOM 573 NZ LYS A 37 29.551 -39.491 -13.549 1.00 0.00 N ATOM 0 H LYS A 37 34.152 -37.657 -12.352 1.00 0.00 H new ATOM 0 HA LYS A 37 33.364 -39.494 -10.300 1.00 0.00 H new ATOM 0 HB2 LYS A 37 34.420 -39.648 -13.084 1.00 0.00 H new ATOM 0 HB3 LYS A 37 34.498 -41.075 -12.070 1.00 0.00 H new ATOM 0 HG2 LYS A 37 32.319 -41.460 -12.570 1.00 0.00 H new ATOM 0 HG3 LYS A 37 31.909 -40.058 -11.603 1.00 0.00 H new ATOM 0 HD2 LYS A 37 32.828 -39.072 -14.136 1.00 0.00 H new ATOM 0 HD3 LYS A 37 31.726 -40.390 -14.479 1.00 0.00 H new ATOM 0 HE2 LYS A 37 30.914 -38.361 -12.393 1.00 0.00 H new ATOM 0 HE3 LYS A 37 30.829 -37.892 -14.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 28.890 -38.938 -14.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 29.732 -40.407 -14.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 29.135 -39.650 -12.609 1.00 0.00 H new ATOM 587 N ASP A 38 36.368 -38.524 -10.271 1.00 0.00 N ATOM 588 CA ASP A 38 37.654 -38.643 -9.606 1.00 0.00 C ATOM 589 C ASP A 38 37.896 -37.399 -8.749 1.00 0.00 C ATOM 590 O ASP A 38 39.042 -37.022 -8.503 1.00 0.00 O ATOM 591 CB ASP A 38 38.793 -38.745 -10.622 1.00 0.00 C ATOM 592 CG ASP A 38 39.904 -39.729 -10.249 1.00 0.00 C ATOM 593 OD1 ASP A 38 41.080 -39.309 -10.319 1.00 0.00 O ATOM 594 OD2 ASP A 38 39.554 -40.878 -9.904 1.00 0.00 O ATOM 0 H ASP A 38 36.217 -37.637 -10.752 1.00 0.00 H new ATOM 0 HA ASP A 38 37.635 -39.545 -8.994 1.00 0.00 H new ATOM 0 HB2 ASP A 38 38.376 -39.039 -11.585 1.00 0.00 H new ATOM 0 HB3 ASP A 38 39.233 -37.756 -10.753 1.00 0.00 H new ATOM 599 N CYS A 39 36.799 -36.794 -8.316 1.00 0.00 N ATOM 600 CA CYS A 39 36.878 -35.600 -7.492 1.00 0.00 C ATOM 601 C CYS A 39 37.441 -35.997 -6.126 1.00 0.00 C ATOM 602 O CYS A 39 36.955 -36.937 -5.499 1.00 0.00 O ATOM 603 CB CYS A 39 35.521 -34.905 -7.370 1.00 0.00 C ATOM 604 SG CYS A 39 35.713 -33.300 -6.514 1.00 0.00 S ATOM 0 H CYS A 39 35.851 -37.109 -8.521 1.00 0.00 H new ATOM 0 HA CYS A 39 37.542 -34.874 -7.961 1.00 0.00 H new ATOM 0 HB2 CYS A 39 35.093 -34.749 -8.360 1.00 0.00 H new ATOM 0 HB3 CYS A 39 34.827 -35.539 -6.819 1.00 0.00 H new ATOM 609 N PRO A 40 38.485 -35.240 -5.692 1.00 0.00 N ATOM 610 CA PRO A 40 39.119 -35.503 -4.411 1.00 0.00 C ATOM 611 C PRO A 40 38.241 -35.017 -3.255 1.00 0.00 C ATOM 612 O PRO A 40 38.617 -35.143 -2.091 1.00 0.00 O ATOM 613 CB PRO A 40 40.458 -34.788 -4.481 1.00 0.00 C ATOM 614 CG PRO A 40 40.330 -33.772 -5.605 1.00 0.00 C ATOM 615 CD PRO A 40 39.086 -34.119 -6.407 1.00 0.00 C ATOM 0 HA PRO A 40 39.260 -36.567 -4.222 1.00 0.00 H new ATOM 0 HB2 PRO A 40 40.689 -34.297 -3.535 1.00 0.00 H new ATOM 0 HB3 PRO A 40 41.266 -35.491 -4.681 1.00 0.00 H new ATOM 0 HG2 PRO A 40 40.254 -32.763 -5.201 1.00 0.00 H new ATOM 0 HG3 PRO A 40 41.214 -33.794 -6.242 1.00 0.00 H new ATOM 0 HD2 PRO A 40 38.402 -33.272 -6.463 1.00 0.00 H new ATOM 0 HD3 PRO A 40 39.339 -34.392 -7.431 1.00 0.00 H new ATOM 623 N LYS A 41 37.090 -34.471 -3.617 1.00 0.00 N ATOM 624 CA LYS A 41 36.156 -33.965 -2.625 1.00 0.00 C ATOM 625 C LYS A 41 35.082 -35.021 -2.357 1.00 0.00 C ATOM 626 O LYS A 41 34.395 -34.969 -1.339 1.00 0.00 O ATOM 627 CB LYS A 41 35.592 -32.611 -3.061 1.00 0.00 C ATOM 628 CG LYS A 41 34.910 -31.900 -1.892 1.00 0.00 C ATOM 629 CD LYS A 41 33.764 -31.014 -2.382 1.00 0.00 C ATOM 630 CE LYS A 41 32.733 -30.786 -1.274 1.00 0.00 C ATOM 631 NZ LYS A 41 32.563 -29.339 -1.013 1.00 0.00 N ATOM 0 H LYS A 41 36.782 -34.368 -4.584 1.00 0.00 H new ATOM 0 HA LYS A 41 36.667 -33.782 -1.680 1.00 0.00 H new ATOM 0 HB2 LYS A 41 36.396 -31.987 -3.452 1.00 0.00 H new ATOM 0 HB3 LYS A 41 34.877 -32.755 -3.871 1.00 0.00 H new ATOM 0 HG2 LYS A 41 34.528 -32.638 -1.186 1.00 0.00 H new ATOM 0 HG3 LYS A 41 35.639 -31.293 -1.355 1.00 0.00 H new ATOM 0 HD2 LYS A 41 34.159 -30.055 -2.718 1.00 0.00 H new ATOM 0 HD3 LYS A 41 33.282 -31.479 -3.242 1.00 0.00 H new ATOM 0 HE2 LYS A 41 31.778 -31.224 -1.563 1.00 0.00 H new ATOM 0 HE3 LYS A 41 33.053 -31.291 -0.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 31.912 -29.205 -0.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 33.485 -28.917 -0.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 32.172 -28.877 -1.859 1.00 0.00 H new ATOM 645 N LYS A 42 34.971 -35.956 -3.289 1.00 0.00 N ATOM 646 CA LYS A 42 33.992 -37.023 -3.167 1.00 0.00 C ATOM 647 C LYS A 42 34.146 -37.697 -1.802 1.00 0.00 C ATOM 648 O LYS A 42 35.231 -37.686 -1.219 1.00 0.00 O ATOM 649 CB LYS A 42 34.105 -37.992 -4.346 1.00 0.00 C ATOM 650 CG LYS A 42 32.858 -37.924 -5.232 1.00 0.00 C ATOM 651 CD LYS A 42 32.733 -39.178 -6.098 1.00 0.00 C ATOM 652 CE LYS A 42 32.788 -38.824 -7.586 1.00 0.00 C ATOM 653 NZ LYS A 42 31.925 -39.737 -8.368 1.00 0.00 N ATOM 0 H LYS A 42 35.543 -35.997 -4.132 1.00 0.00 H new ATOM 0 HA LYS A 42 32.981 -36.618 -3.212 1.00 0.00 H new ATOM 0 HB2 LYS A 42 34.989 -37.751 -4.936 1.00 0.00 H new ATOM 0 HB3 LYS A 42 34.237 -39.008 -3.975 1.00 0.00 H new ATOM 0 HG2 LYS A 42 31.970 -37.818 -4.609 1.00 0.00 H new ATOM 0 HG3 LYS A 42 32.908 -37.041 -5.869 1.00 0.00 H new ATOM 0 HD2 LYS A 42 33.537 -39.873 -5.856 1.00 0.00 H new ATOM 0 HD3 LYS A 42 31.795 -39.686 -5.876 1.00 0.00 H new ATOM 0 HE2 LYS A 42 32.465 -37.793 -7.733 1.00 0.00 H new ATOM 0 HE3 LYS A 42 33.815 -38.890 -7.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 31.645 -39.274 -9.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 32.448 -40.610 -8.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 31.075 -39.969 -7.816 1.00 0.00 H new ATOM 667 N PRO A 43 33.018 -38.282 -1.318 1.00 0.00 N ATOM 668 CA PRO A 43 33.018 -38.958 -0.032 1.00 0.00 C ATOM 669 C PRO A 43 33.722 -40.314 -0.126 1.00 0.00 C ATOM 670 O PRO A 43 33.294 -41.188 -0.878 1.00 0.00 O ATOM 671 CB PRO A 43 31.552 -39.076 0.350 1.00 0.00 C ATOM 672 CG PRO A 43 30.768 -38.883 -0.938 1.00 0.00 C ATOM 673 CD PRO A 43 31.717 -38.314 -1.981 1.00 0.00 C ATOM 0 HA PRO A 43 33.572 -38.411 0.731 1.00 0.00 H new ATOM 0 HB2 PRO A 43 31.341 -40.049 0.793 1.00 0.00 H new ATOM 0 HB3 PRO A 43 31.279 -38.323 1.090 1.00 0.00 H new ATOM 0 HG2 PRO A 43 30.352 -39.832 -1.277 1.00 0.00 H new ATOM 0 HG3 PRO A 43 29.929 -38.207 -0.776 1.00 0.00 H new ATOM 0 HD2 PRO A 43 31.743 -38.937 -2.875 1.00 0.00 H new ATOM 0 HD3 PRO A 43 31.408 -37.317 -2.296 1.00 0.00 H new ATOM 681 N ARG A 44 34.790 -40.445 0.647 1.00 0.00 N ATOM 682 CA ARG A 44 35.557 -41.678 0.661 1.00 0.00 C ATOM 683 C ARG A 44 34.889 -42.709 1.573 1.00 0.00 C ATOM 684 O ARG A 44 35.311 -42.902 2.712 1.00 0.00 O ATOM 685 CB ARG A 44 36.988 -41.433 1.145 1.00 0.00 C ATOM 686 CG ARG A 44 37.986 -42.287 0.361 1.00 0.00 C ATOM 687 CD ARG A 44 38.735 -43.244 1.291 1.00 0.00 C ATOM 688 NE ARG A 44 39.984 -43.704 0.643 1.00 0.00 N ATOM 689 CZ ARG A 44 40.043 -44.697 -0.255 1.00 0.00 C ATOM 690 NH1 ARG A 44 38.925 -45.338 -0.619 1.00 0.00 N ATOM 691 NH2 ARG A 44 41.220 -45.046 -0.791 1.00 0.00 N ATOM 0 H ARG A 44 35.142 -39.717 1.268 1.00 0.00 H new ATOM 0 HA ARG A 44 35.591 -42.057 -0.360 1.00 0.00 H new ATOM 0 HB2 ARG A 44 37.239 -40.378 1.031 1.00 0.00 H new ATOM 0 HB3 ARG A 44 37.061 -41.665 2.207 1.00 0.00 H new ATOM 0 HG2 ARG A 44 37.460 -42.856 -0.406 1.00 0.00 H new ATOM 0 HG3 ARG A 44 38.698 -41.641 -0.153 1.00 0.00 H new ATOM 0 HD2 ARG A 44 38.966 -42.744 2.232 1.00 0.00 H new ATOM 0 HD3 ARG A 44 38.104 -44.099 1.531 1.00 0.00 H new ATOM 0 HE ARG A 44 40.854 -43.236 0.896 1.00 0.00 H new ATOM 0 HH11 ARG A 44 38.028 -45.070 -0.213 1.00 0.00 H new ATOM 0 HH12 ARG A 44 38.970 -46.094 -1.303 1.00 0.00 H new ATOM 0 HH21 ARG A 44 42.071 -44.556 -0.516 1.00 0.00 H new ATOM 0 HH22 ARG A 44 41.265 -45.802 -1.474 1.00 0.00 H new ATOM 705 N GLY A 45 33.856 -43.344 1.038 1.00 0.00 N ATOM 706 CA GLY A 45 33.126 -44.351 1.789 1.00 0.00 C ATOM 707 C GLY A 45 31.899 -43.741 2.473 1.00 0.00 C ATOM 708 O GLY A 45 31.679 -42.533 2.400 1.00 0.00 O ATOM 0 H GLY A 45 33.508 -43.180 0.093 1.00 0.00 H new ATOM 0 HA2 GLY A 45 32.813 -45.153 1.120 1.00 0.00 H new ATOM 0 HA3 GLY A 45 33.780 -44.797 2.538 1.00 0.00 H new ATOM 712 N PRO A 46 31.112 -44.629 3.139 1.00 0.00 N ATOM 713 CA PRO A 46 31.445 -46.042 3.176 1.00 0.00 C ATOM 714 C PRO A 46 31.129 -46.715 1.839 1.00 0.00 C ATOM 715 O PRO A 46 30.567 -46.088 0.942 1.00 0.00 O ATOM 716 CB PRO A 46 30.632 -46.607 4.330 1.00 0.00 C ATOM 717 CG PRO A 46 29.530 -45.595 4.599 1.00 0.00 C ATOM 718 CD PRO A 46 29.890 -44.310 3.872 1.00 0.00 C ATOM 0 HA PRO A 46 32.509 -46.219 3.330 1.00 0.00 H new ATOM 0 HB2 PRO A 46 30.214 -47.580 4.073 1.00 0.00 H new ATOM 0 HB3 PRO A 46 31.255 -46.750 5.213 1.00 0.00 H new ATOM 0 HG2 PRO A 46 28.570 -45.975 4.250 1.00 0.00 H new ATOM 0 HG3 PRO A 46 29.431 -45.413 5.669 1.00 0.00 H new ATOM 0 HD2 PRO A 46 29.092 -44.000 3.197 1.00 0.00 H new ATOM 0 HD3 PRO A 46 30.051 -43.490 4.572 1.00 0.00 H new ATOM 726 N ARG A 47 31.506 -47.982 1.746 1.00 0.00 N ATOM 727 CA ARG A 47 31.272 -48.746 0.532 1.00 0.00 C ATOM 728 C ARG A 47 30.027 -49.622 0.690 1.00 0.00 C ATOM 729 O ARG A 47 30.078 -50.667 1.337 1.00 0.00 O ATOM 730 CB ARG A 47 32.473 -49.632 0.199 1.00 0.00 C ATOM 731 CG ARG A 47 33.602 -48.813 -0.430 1.00 0.00 C ATOM 732 CD ARG A 47 33.226 -48.354 -1.841 1.00 0.00 C ATOM 733 NE ARG A 47 33.787 -49.288 -2.843 1.00 0.00 N ATOM 734 CZ ARG A 47 33.345 -49.391 -4.104 1.00 0.00 C ATOM 735 NH1 ARG A 47 32.333 -48.619 -4.525 1.00 0.00 N ATOM 736 NH2 ARG A 47 33.915 -50.266 -4.944 1.00 0.00 N ATOM 0 H ARG A 47 31.972 -48.499 2.492 1.00 0.00 H new ATOM 0 HA ARG A 47 31.122 -48.038 -0.283 1.00 0.00 H new ATOM 0 HB2 ARG A 47 32.833 -50.118 1.106 1.00 0.00 H new ATOM 0 HB3 ARG A 47 32.167 -50.423 -0.486 1.00 0.00 H new ATOM 0 HG2 ARG A 47 33.817 -47.945 0.193 1.00 0.00 H new ATOM 0 HG3 ARG A 47 34.512 -49.411 -0.469 1.00 0.00 H new ATOM 0 HD2 ARG A 47 32.142 -48.309 -1.941 1.00 0.00 H new ATOM 0 HD3 ARG A 47 33.605 -47.347 -2.018 1.00 0.00 H new ATOM 0 HE ARG A 47 34.558 -49.891 -2.556 1.00 0.00 H new ATOM 0 HH11 ARG A 47 31.899 -47.953 -3.886 1.00 0.00 H new ATOM 0 HH12 ARG A 47 31.997 -48.698 -5.485 1.00 0.00 H new ATOM 0 HH21 ARG A 47 34.685 -50.853 -4.623 1.00 0.00 H new ATOM 0 HH22 ARG A 47 33.579 -50.345 -5.904 1.00 0.00 H new ATOM 750 N GLY A 48 28.940 -49.165 0.087 1.00 0.00 N ATOM 751 CA GLY A 48 27.685 -49.895 0.152 1.00 0.00 C ATOM 752 C GLY A 48 26.533 -48.969 0.546 1.00 0.00 C ATOM 753 O GLY A 48 26.496 -48.457 1.663 1.00 0.00 O ATOM 0 H GLY A 48 28.902 -48.298 -0.449 1.00 0.00 H new ATOM 0 HA2 GLY A 48 27.475 -50.352 -0.815 1.00 0.00 H new ATOM 0 HA3 GLY A 48 27.769 -50.706 0.876 1.00 0.00 H new ATOM 757 N PRO A 49 25.594 -48.777 -0.419 1.00 0.00 N ATOM 758 CA PRO A 49 24.443 -47.922 -0.185 1.00 0.00 C ATOM 759 C PRO A 49 23.421 -48.614 0.720 1.00 0.00 C ATOM 760 O PRO A 49 23.264 -49.832 0.667 1.00 0.00 O ATOM 761 CB PRO A 49 23.896 -47.611 -1.568 1.00 0.00 C ATOM 762 CG PRO A 49 24.473 -48.670 -2.492 1.00 0.00 C ATOM 763 CD PRO A 49 25.603 -49.368 -1.754 1.00 0.00 C ATOM 0 HA PRO A 49 24.702 -47.004 0.342 1.00 0.00 H new ATOM 0 HB2 PRO A 49 22.806 -47.640 -1.573 1.00 0.00 H new ATOM 0 HB3 PRO A 49 24.189 -46.611 -1.888 1.00 0.00 H new ATOM 0 HG2 PRO A 49 23.704 -49.387 -2.778 1.00 0.00 H new ATOM 0 HG3 PRO A 49 24.842 -48.215 -3.411 1.00 0.00 H new ATOM 0 HD2 PRO A 49 25.442 -50.445 -1.711 1.00 0.00 H new ATOM 0 HD3 PRO A 49 26.559 -49.208 -2.252 1.00 0.00 H new ATOM 771 N ARG A 50 22.752 -47.805 1.530 1.00 0.00 N ATOM 772 CA ARG A 50 21.750 -48.324 2.445 1.00 0.00 C ATOM 773 C ARG A 50 20.422 -48.536 1.714 1.00 0.00 C ATOM 774 O ARG A 50 19.804 -47.577 1.254 1.00 0.00 O ATOM 775 CB ARG A 50 21.531 -47.370 3.620 1.00 0.00 C ATOM 776 CG ARG A 50 20.980 -48.117 4.838 1.00 0.00 C ATOM 777 CD ARG A 50 19.501 -48.459 4.647 1.00 0.00 C ATOM 778 NE ARG A 50 18.718 -47.978 5.807 1.00 0.00 N ATOM 779 CZ ARG A 50 17.514 -48.457 6.151 1.00 0.00 C ATOM 780 NH1 ARG A 50 16.949 -49.432 5.426 1.00 0.00 N ATOM 781 NH2 ARG A 50 16.876 -47.960 7.219 1.00 0.00 N ATOM 0 H ARG A 50 22.885 -46.795 1.571 1.00 0.00 H new ATOM 0 HA ARG A 50 22.113 -49.277 2.829 1.00 0.00 H new ATOM 0 HB2 ARG A 50 22.472 -46.886 3.881 1.00 0.00 H new ATOM 0 HB3 ARG A 50 20.838 -46.581 3.328 1.00 0.00 H new ATOM 0 HG2 ARG A 50 21.551 -49.032 4.997 1.00 0.00 H new ATOM 0 HG3 ARG A 50 21.103 -47.505 5.731 1.00 0.00 H new ATOM 0 HD2 ARG A 50 19.128 -48.001 3.731 1.00 0.00 H new ATOM 0 HD3 ARG A 50 19.379 -49.537 4.537 1.00 0.00 H new ATOM 0 HE ARG A 50 19.119 -47.236 6.380 1.00 0.00 H new ATOM 0 HH11 ARG A 50 17.435 -49.810 4.613 1.00 0.00 H new ATOM 0 HH12 ARG A 50 16.033 -49.797 5.688 1.00 0.00 H new ATOM 0 HH21 ARG A 50 17.306 -47.217 7.770 1.00 0.00 H new ATOM 0 HH22 ARG A 50 15.960 -48.324 7.481 1.00 0.00 H new ATOM 795 N PRO A 51 20.013 -49.830 1.627 1.00 0.00 N ATOM 796 CA PRO A 51 18.770 -50.179 0.961 1.00 0.00 C ATOM 797 C PRO A 51 17.563 -49.818 1.828 1.00 0.00 C ATOM 798 O PRO A 51 17.530 -50.136 3.016 1.00 0.00 O ATOM 799 CB PRO A 51 18.878 -51.669 0.682 1.00 0.00 C ATOM 800 CG PRO A 51 19.963 -52.189 1.611 1.00 0.00 C ATOM 801 CD PRO A 51 20.720 -50.990 2.160 1.00 0.00 C ATOM 0 HA PRO A 51 18.619 -49.624 0.035 1.00 0.00 H new ATOM 0 HB2 PRO A 51 17.929 -52.171 0.870 1.00 0.00 H new ATOM 0 HB3 PRO A 51 19.135 -51.853 -0.361 1.00 0.00 H new ATOM 0 HG2 PRO A 51 19.525 -52.768 2.423 1.00 0.00 H new ATOM 0 HG3 PRO A 51 20.639 -52.854 1.074 1.00 0.00 H new ATOM 0 HD2 PRO A 51 20.720 -50.987 3.250 1.00 0.00 H new ATOM 0 HD3 PRO A 51 21.762 -51.000 1.841 1.00 0.00 H new ATOM 809 N GLN A 52 16.599 -49.160 1.201 1.00 0.00 N ATOM 810 CA GLN A 52 15.392 -48.753 1.900 1.00 0.00 C ATOM 811 C GLN A 52 14.310 -49.825 1.760 1.00 0.00 C ATOM 812 O GLN A 52 13.869 -50.126 0.652 1.00 0.00 O ATOM 813 CB GLN A 52 14.893 -47.400 1.391 1.00 0.00 C ATOM 814 CG GLN A 52 14.490 -46.490 2.554 1.00 0.00 C ATOM 815 CD GLN A 52 15.534 -45.397 2.782 1.00 0.00 C ATOM 816 OE1 GLN A 52 16.635 -45.640 3.249 1.00 0.00 O ATOM 817 NE2 GLN A 52 15.129 -44.180 2.428 1.00 0.00 N ATOM 0 H GLN A 52 16.629 -48.898 0.216 1.00 0.00 H new ATOM 0 HA GLN A 52 15.629 -48.641 2.958 1.00 0.00 H new ATOM 0 HB2 GLN A 52 15.674 -46.919 0.802 1.00 0.00 H new ATOM 0 HB3 GLN A 52 14.040 -47.549 0.729 1.00 0.00 H new ATOM 0 HG2 GLN A 52 13.522 -46.035 2.346 1.00 0.00 H new ATOM 0 HG3 GLN A 52 14.375 -47.083 3.461 1.00 0.00 H new ATOM 0 HE21 GLN A 52 14.194 -44.046 2.043 1.00 0.00 H new ATOM 0 HE22 GLN A 52 15.753 -43.382 2.542 1.00 0.00 H new ATOM 826 N THR A 53 13.912 -50.372 2.899 1.00 0.00 N ATOM 827 CA THR A 53 12.890 -51.405 2.917 1.00 0.00 C ATOM 828 C THR A 53 11.650 -50.914 3.668 1.00 0.00 C ATOM 829 O THR A 53 11.765 -50.261 4.703 1.00 0.00 O ATOM 830 CB THR A 53 13.505 -52.669 3.520 1.00 0.00 C ATOM 831 OG1 THR A 53 12.423 -53.595 3.563 1.00 0.00 O ATOM 832 CG2 THR A 53 13.898 -52.486 4.988 1.00 0.00 C ATOM 0 H THR A 53 14.279 -50.119 3.817 1.00 0.00 H new ATOM 0 HA THR A 53 12.549 -51.642 1.909 1.00 0.00 H new ATOM 0 HB THR A 53 14.383 -52.956 2.942 1.00 0.00 H new ATOM 0 HG1 THR A 53 12.734 -54.444 3.940 1.00 0.00 H new ATOM 0 HG21 THR A 53 14.329 -53.412 5.367 1.00 0.00 H new ATOM 0 HG22 THR A 53 14.631 -51.684 5.071 1.00 0.00 H new ATOM 0 HG23 THR A 53 13.014 -52.231 5.572 1.00 0.00 H new ATOM 840 N SER A 54 10.493 -51.249 3.116 1.00 0.00 N ATOM 841 CA SER A 54 9.233 -50.850 3.719 1.00 0.00 C ATOM 842 C SER A 54 8.066 -51.496 2.969 1.00 0.00 C ATOM 843 O SER A 54 8.142 -51.708 1.761 1.00 0.00 O ATOM 844 CB SER A 54 9.082 -49.328 3.727 1.00 0.00 C ATOM 845 OG SER A 54 9.094 -48.797 5.050 1.00 0.00 O ATOM 0 H SER A 54 10.402 -51.792 2.258 1.00 0.00 H new ATOM 0 HA SER A 54 9.226 -51.193 4.754 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.891 -48.880 3.149 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.149 -49.054 3.235 1.00 0.00 H new ATOM 0 HG SER A 54 9.936 -49.037 5.491 1.00 0.00 H new ATOM 851 N LEU A 55 7.013 -51.789 3.718 1.00 0.00 N ATOM 852 CA LEU A 55 5.831 -52.406 3.139 1.00 0.00 C ATOM 853 C LEU A 55 4.924 -51.317 2.563 1.00 0.00 C ATOM 854 O LEU A 55 4.725 -51.246 1.351 1.00 0.00 O ATOM 855 CB LEU A 55 5.139 -53.305 4.165 1.00 0.00 C ATOM 856 CG LEU A 55 5.065 -54.792 3.813 1.00 0.00 C ATOM 857 CD1 LEU A 55 4.775 -55.636 5.055 1.00 0.00 C ATOM 858 CD2 LEU A 55 4.045 -55.041 2.699 1.00 0.00 C ATOM 0 H LEU A 55 6.953 -51.611 4.721 1.00 0.00 H new ATOM 0 HA LEU A 55 6.108 -53.061 2.313 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.659 -53.203 5.117 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.124 -52.937 4.315 1.00 0.00 H new ATOM 0 HG LEU A 55 6.039 -55.102 3.434 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.728 -56.689 4.777 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.569 -55.490 5.788 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.822 -55.332 5.487 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.012 -56.106 2.468 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.060 -54.710 3.027 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.336 -54.485 1.808 1.00 0.00 H new ATOM 870 N LEU A 56 4.396 -50.496 3.459 1.00 0.00 N ATOM 871 CA LEU A 56 3.514 -49.415 3.055 1.00 0.00 C ATOM 872 C LEU A 56 2.422 -49.968 2.139 1.00 0.00 C ATOM 873 O LEU A 56 2.347 -49.606 0.966 1.00 0.00 O ATOM 874 CB LEU A 56 4.319 -48.272 2.430 1.00 0.00 C ATOM 875 CG LEU A 56 3.853 -46.856 2.777 1.00 0.00 C ATOM 876 CD1 LEU A 56 5.018 -45.867 2.724 1.00 0.00 C ATOM 877 CD2 LEU A 56 2.694 -46.425 1.876 1.00 0.00 C ATOM 0 H LEU A 56 4.562 -50.558 4.463 1.00 0.00 H new ATOM 0 HA LEU A 56 3.015 -48.986 3.924 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.360 -48.376 2.737 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.294 -48.386 1.346 1.00 0.00 H new ATOM 0 HG LEU A 56 3.481 -46.860 3.802 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.659 -44.869 2.975 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.783 -46.168 3.439 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.443 -45.859 1.720 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.382 -45.415 2.143 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.017 -46.442 0.835 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.857 -47.111 2.007 1.00 0.00 H new TER 889 LEU A 56 ATOM 890 P A B 493 21.022 -33.938 -2.443 1.00 0.00 P ATOM 891 OP1 A B 493 19.836 -34.352 -3.226 1.00 0.00 O ATOM 892 OP2 A B 493 21.840 -35.007 -1.826 1.00 0.00 O ATOM 893 O5' A B 493 21.973 -33.079 -3.401 1.00 0.00 O ATOM 894 C5' A B 493 21.502 -31.856 -3.962 1.00 0.00 C ATOM 895 C4' A B 493 22.158 -30.681 -3.275 1.00 0.00 C ATOM 896 O4' A B 493 22.915 -31.190 -2.161 1.00 0.00 O ATOM 897 C3' A B 493 23.338 -30.085 -4.036 1.00 0.00 C ATOM 898 O3' A B 493 22.868 -29.074 -4.925 1.00 0.00 O ATOM 899 C2' A B 493 24.243 -29.513 -2.980 1.00 0.00 C ATOM 900 O2' A B 493 23.596 -28.307 -2.638 1.00 0.00 O ATOM 901 C1' A B 493 24.179 -30.613 -1.925 1.00 0.00 C ATOM 902 N9 A B 493 25.257 -31.617 -2.054 1.00 0.00 N ATOM 903 C8 A B 493 25.313 -32.651 -2.918 1.00 0.00 C ATOM 904 N7 A B 493 26.421 -33.374 -2.781 1.00 0.00 N ATOM 905 C5 A B 493 27.097 -32.750 -1.768 1.00 0.00 C ATOM 906 C6 A B 493 28.337 -33.034 -1.157 1.00 0.00 C ATOM 907 N6 A B 493 29.145 -34.070 -1.501 1.00 0.00 N ATOM 908 N1 A B 493 28.745 -32.210 -0.155 1.00 0.00 N ATOM 909 C2 A B 493 27.948 -31.175 0.195 1.00 0.00 C ATOM 910 N3 A B 493 26.755 -30.813 -0.313 1.00 0.00 N ATOM 911 C4 A B 493 26.405 -31.674 -1.309 1.00 0.00 C ATOM 0 H5' A B 493 20.419 -31.791 -3.855 1.00 0.00 H new ATOM 0 H5'' A B 493 21.719 -31.830 -5.030 1.00 0.00 H new ATOM 0 H4' A B 493 21.340 -29.981 -3.105 1.00 0.00 H new ATOM 0 H3' A B 493 23.866 -30.820 -4.644 1.00 0.00 H new ATOM 0 H2' A B 493 25.285 -29.280 -3.199 1.00 0.00 H new ATOM 0 HO2' A B 493 23.132 -27.950 -3.424 1.00 0.00 H new ATOM 0 H1' A B 493 24.313 -30.222 -0.917 1.00 0.00 H new ATOM 0 H8 A B 493 24.542 -32.868 -3.642 1.00 0.00 H new ATOM 0 H61 A B 493 30.029 -34.211 -1.012 1.00 0.00 H new ATOM 0 H62 A B 493 28.868 -34.707 -2.248 1.00 0.00 H new ATOM 0 H2 A B 493 28.321 -30.551 0.994 1.00 0.00 H new ATOM 923 P A B 494 22.837 -29.347 -6.501 1.00 0.00 P ATOM 924 OP1 A B 494 21.745 -28.565 -7.122 1.00 0.00 O ATOM 925 OP2 A B 494 22.864 -30.805 -6.756 1.00 0.00 O ATOM 926 O5' A B 494 24.230 -28.735 -6.999 1.00 0.00 O ATOM 927 C5' A B 494 24.681 -28.977 -8.330 1.00 0.00 C ATOM 928 C4' A B 494 25.916 -29.848 -8.309 1.00 0.00 C ATOM 929 O4' A B 494 26.690 -29.314 -7.223 1.00 0.00 O ATOM 930 C3' A B 494 25.743 -31.173 -7.572 1.00 0.00 C ATOM 931 O3' A B 494 25.190 -32.140 -8.461 1.00 0.00 O ATOM 932 C2' A B 494 27.124 -31.561 -7.124 1.00 0.00 C ATOM 933 O2' A B 494 27.641 -32.229 -8.252 1.00 0.00 O ATOM 934 C1' A B 494 27.728 -30.189 -6.840 1.00 0.00 C ATOM 935 N9 A B 494 28.099 -29.989 -5.424 1.00 0.00 N ATOM 936 C8 A B 494 27.573 -30.604 -4.344 1.00 0.00 C ATOM 937 N7 A B 494 28.127 -30.202 -3.204 1.00 0.00 N ATOM 938 C5 A B 494 29.055 -29.277 -3.599 1.00 0.00 C ATOM 939 C6 A B 494 29.966 -28.492 -2.860 1.00 0.00 C ATOM 940 N6 A B 494 30.086 -28.523 -1.507 1.00 0.00 N ATOM 941 N1 A B 494 30.775 -27.648 -3.556 1.00 0.00 N ATOM 942 C2 A B 494 30.662 -27.611 -4.902 1.00 0.00 C ATOM 943 N3 A B 494 29.836 -28.309 -5.705 1.00 0.00 N ATOM 944 C4 A B 494 29.056 -29.131 -4.950 1.00 0.00 C ATOM 0 H5' A B 494 24.902 -28.031 -8.825 1.00 0.00 H new ATOM 0 H5'' A B 494 23.894 -29.463 -8.907 1.00 0.00 H new ATOM 0 H4' A B 494 26.247 -29.915 -9.345 1.00 0.00 H new ATOM 0 H3' A B 494 25.065 -31.101 -6.721 1.00 0.00 H new ATOM 0 H2' A B 494 27.272 -32.208 -6.260 1.00 0.00 H new ATOM 0 HO2' A B 494 28.427 -32.752 -7.990 1.00 0.00 H new ATOM 0 H1' A B 494 28.666 -30.036 -7.373 1.00 0.00 H new ATOM 0 H8 A B 494 26.787 -31.343 -4.400 1.00 0.00 H new ATOM 0 H61 A B 494 30.769 -27.925 -1.042 1.00 0.00 H new ATOM 0 H62 A B 494 29.493 -29.144 -0.957 1.00 0.00 H new ATOM 0 H2 A B 494 31.328 -26.925 -5.405 1.00 0.00 H new ATOM 956 P C B 495 25.205 -33.691 -8.066 1.00 0.00 P ATOM 957 OP1 C B 495 23.888 -34.295 -8.367 1.00 0.00 O ATOM 958 OP2 C B 495 25.731 -33.850 -6.692 1.00 0.00 O ATOM 959 O5' C B 495 26.277 -34.310 -9.079 1.00 0.00 O ATOM 960 C5' C B 495 26.492 -33.700 -10.351 1.00 0.00 C ATOM 961 C4' C B 495 27.557 -34.452 -11.114 1.00 0.00 C ATOM 962 O4' C B 495 28.598 -34.890 -10.225 1.00 0.00 O ATOM 963 C3' C B 495 27.134 -35.842 -11.583 1.00 0.00 C ATOM 964 O3' C B 495 26.458 -35.735 -12.834 1.00 0.00 O ATOM 965 C2' C B 495 28.413 -36.624 -11.711 1.00 0.00 C ATOM 966 O2' C B 495 28.941 -36.156 -12.933 1.00 0.00 O ATOM 967 C1' C B 495 29.153 -36.165 -10.458 1.00 0.00 C ATOM 968 N1 C B 495 28.952 -37.056 -9.296 1.00 0.00 N ATOM 969 C2 C B 495 29.563 -38.308 -9.326 1.00 0.00 C ATOM 970 O2 C B 495 30.238 -38.613 -10.316 1.00 0.00 O ATOM 971 N3 C B 495 29.396 -39.137 -8.280 1.00 0.00 N ATOM 972 C4 C B 495 28.672 -38.795 -7.233 1.00 0.00 C ATOM 973 N4 C B 495 28.519 -39.627 -6.211 1.00 0.00 N ATOM 974 C5 C B 495 28.029 -37.503 -7.177 1.00 0.00 C ATOM 975 C6 C B 495 28.206 -36.688 -8.227 1.00 0.00 C ATOM 0 H5' C B 495 26.794 -32.661 -10.218 1.00 0.00 H new ATOM 0 H5'' C B 495 25.563 -33.692 -10.921 1.00 0.00 H new ATOM 0 H4' C B 495 27.809 -33.752 -11.911 1.00 0.00 H new ATOM 0 H3' C B 495 26.447 -36.332 -10.893 1.00 0.00 H new ATOM 0 H2' C B 495 28.404 -37.713 -11.749 1.00 0.00 H new ATOM 0 HO2' C B 495 28.209 -35.993 -13.564 1.00 0.00 H new ATOM 0 H1' C B 495 30.234 -36.166 -10.597 1.00 0.00 H new ATOM 0 H41 C B 495 27.956 -39.349 -5.407 1.00 0.00 H new ATOM 0 H42 C B 495 28.964 -40.544 -6.229 1.00 0.00 H new ATOM 0 H5 C B 495 27.432 -37.206 -6.327 1.00 0.00 H new ATOM 0 H6 C B 495 27.742 -35.713 -8.220 1.00 0.00 H new ATOM 987 P A B 496 24.860 -35.684 -12.878 1.00 0.00 P ATOM 988 OP1 A B 496 24.327 -35.578 -11.501 1.00 0.00 O ATOM 989 OP2 A B 496 24.350 -36.785 -13.725 1.00 0.00 O ATOM 990 O5' A B 496 24.565 -34.303 -13.630 1.00 0.00 O ATOM 991 C5' A B 496 23.732 -34.287 -14.788 1.00 0.00 C ATOM 992 C4' A B 496 24.526 -33.837 -15.994 1.00 0.00 C ATOM 993 O4' A B 496 24.852 -32.472 -15.701 1.00 0.00 O ATOM 994 C3' A B 496 25.964 -34.348 -16.027 1.00 0.00 C ATOM 995 O3' A B 496 26.017 -35.569 -16.763 1.00 0.00 O ATOM 996 C2' A B 496 26.755 -33.263 -16.701 1.00 0.00 C ATOM 997 O2' A B 496 26.450 -33.456 -18.063 1.00 0.00 O ATOM 998 C1' A B 496 26.139 -32.022 -16.060 1.00 0.00 C ATOM 999 N9 A B 496 26.884 -31.536 -14.880 1.00 0.00 N ATOM 1000 C8 A B 496 27.180 -32.224 -13.757 1.00 0.00 C ATOM 1001 N7 A B 496 27.865 -31.500 -12.879 1.00 0.00 N ATOM 1002 C5 A B 496 28.005 -30.284 -13.492 1.00 0.00 C ATOM 1003 C6 A B 496 28.635 -29.092 -13.073 1.00 0.00 C ATOM 1004 N6 A B 496 29.268 -28.934 -11.882 1.00 0.00 N ATOM 1005 N1 A B 496 28.603 -28.033 -13.927 1.00 0.00 N ATOM 1006 C2 A B 496 27.975 -28.182 -15.116 1.00 0.00 C ATOM 1007 N3 A B 496 27.346 -29.263 -15.615 1.00 0.00 N ATOM 1008 C4 A B 496 27.414 -30.284 -14.715 1.00 0.00 C ATOM 0 H5' A B 496 22.887 -33.617 -14.628 1.00 0.00 H new ATOM 0 H5'' A B 496 23.321 -35.281 -14.964 1.00 0.00 H new ATOM 0 H4' A B 496 23.948 -34.124 -16.873 1.00 0.00 H new ATOM 0 H3' A B 496 26.362 -34.560 -15.035 1.00 0.00 H new ATOM 0 H2' A B 496 27.840 -33.219 -16.608 1.00 0.00 H new ATOM 0 HO2' A B 496 26.152 -34.379 -18.204 1.00 0.00 H new ATOM 0 H1' A B 496 26.145 -31.166 -16.735 1.00 0.00 H new ATOM 0 H8 A B 496 26.891 -33.251 -13.591 1.00 0.00 H new ATOM 0 H61 A B 496 29.701 -28.040 -11.649 1.00 0.00 H new ATOM 0 H62 A B 496 29.310 -29.709 -11.220 1.00 0.00 H new ATOM 0 H2 A B 496 27.979 -27.311 -15.755 1.00 0.00 H new ATOM 1020 P G B 497 26.689 -36.866 -16.112 1.00 0.00 P ATOM 1021 OP1 G B 497 25.635 -37.820 -15.699 1.00 0.00 O ATOM 1022 OP2 G B 497 27.678 -36.457 -15.090 1.00 0.00 O ATOM 1023 O5' G B 497 27.486 -37.513 -17.340 1.00 0.00 O ATOM 1024 C5' G B 497 27.061 -37.262 -18.677 1.00 0.00 C ATOM 1025 C4' G B 497 28.259 -37.025 -19.568 1.00 0.00 C ATOM 1026 O4' G B 497 28.847 -35.818 -18.991 1.00 0.00 O ATOM 1027 C3' G B 497 29.452 -37.931 -19.275 1.00 0.00 C ATOM 1028 O3' G B 497 29.399 -39.074 -20.125 1.00 0.00 O ATOM 1029 C2' G B 497 30.667 -37.091 -19.555 1.00 0.00 C ATOM 1030 O2' G B 497 30.723 -37.085 -20.964 1.00 0.00 O ATOM 1031 C1' G B 497 30.254 -35.771 -18.909 1.00 0.00 C ATOM 1032 N9 G B 497 30.704 -35.633 -17.508 1.00 0.00 N ATOM 1033 C8 G B 497 30.244 -36.304 -16.431 1.00 0.00 C ATOM 1034 N7 G B 497 30.858 -35.950 -15.306 1.00 0.00 N ATOM 1035 C5 G B 497 31.756 -34.998 -15.708 1.00 0.00 C ATOM 1036 C6 G B 497 32.701 -34.240 -14.985 1.00 0.00 C ATOM 1037 O6 G B 497 32.893 -34.311 -13.771 1.00 0.00 O ATOM 1038 N1 G B 497 33.463 -33.356 -15.685 1.00 0.00 N ATOM 1039 C2 G B 497 33.274 -33.256 -17.020 1.00 0.00 C ATOM 1040 N2 G B 497 34.091 -32.354 -17.558 1.00 0.00 N ATOM 1041 N3 G B 497 32.410 -33.924 -17.807 1.00 0.00 N ATOM 1042 C4 G B 497 31.679 -34.789 -17.048 1.00 0.00 C ATOM 0 H5' G B 497 26.403 -36.393 -18.701 1.00 0.00 H new ATOM 0 H5'' G B 497 26.484 -38.109 -19.048 1.00 0.00 H new ATOM 0 H4' G B 497 27.915 -37.091 -20.600 1.00 0.00 H new ATOM 0 H3' G B 497 29.463 -38.300 -18.249 1.00 0.00 H new ATOM 0 H2' G B 497 31.650 -37.384 -19.186 1.00 0.00 H new ATOM 0 HO2' G B 497 30.391 -37.941 -21.308 1.00 0.00 H new ATOM 0 H1' G B 497 30.705 -34.913 -19.407 1.00 0.00 H new ATOM 0 H8 G B 497 29.462 -37.048 -16.478 1.00 0.00 H new ATOM 0 H1 G B 497 34.161 -32.782 -15.213 1.00 0.00 H new ATOM 0 H21 G B 497 34.060 -32.172 -18.561 1.00 0.00 H new ATOM 0 H22 G B 497 34.748 -31.845 -16.967 1.00 0.00 H new ATOM 1054 P U B 498 28.692 -40.416 -19.618 1.00 0.00 P ATOM 1055 OP1 U B 498 29.002 -41.526 -20.547 1.00 0.00 O ATOM 1056 OP2 U B 498 27.266 -40.148 -19.326 1.00 0.00 O ATOM 1057 O5' U B 498 29.433 -40.712 -18.230 1.00 0.00 O ATOM 1058 C5' U B 498 28.699 -41.238 -17.128 1.00 0.00 C ATOM 1059 C4' U B 498 29.339 -42.519 -16.640 1.00 0.00 C ATOM 1060 O4' U B 498 30.090 -43.086 -17.748 1.00 0.00 O ATOM 1061 C3' U B 498 30.606 -42.314 -15.815 1.00 0.00 C ATOM 1062 O3' U B 498 30.247 -42.016 -14.457 1.00 0.00 O ATOM 1063 C2' U B 498 31.358 -43.612 -15.915 1.00 0.00 C ATOM 1064 O2' U B 498 30.679 -44.435 -14.994 1.00 0.00 O ATOM 1065 C1' U B 498 31.139 -43.956 -17.386 1.00 0.00 C ATOM 1066 N1 U B 498 32.333 -43.733 -18.227 1.00 0.00 N ATOM 1067 C2 U B 498 33.061 -44.838 -18.546 1.00 0.00 C ATOM 1068 O2 U B 498 32.776 -45.966 -18.177 1.00 0.00 O ATOM 1069 N3 U B 498 34.174 -44.633 -19.330 1.00 0.00 N ATOM 1070 C4 U B 498 34.565 -43.399 -19.787 1.00 0.00 C ATOM 1071 O4 U B 498 35.577 -43.334 -20.482 1.00 0.00 O ATOM 1072 C5 U B 498 33.770 -42.280 -19.425 1.00 0.00 C ATOM 1073 C6 U B 498 32.694 -42.502 -18.664 1.00 0.00 C ATOM 0 H5' U B 498 27.668 -41.428 -17.426 1.00 0.00 H new ATOM 0 H5'' U B 498 28.668 -40.507 -16.320 1.00 0.00 H new ATOM 0 H4' U B 498 28.516 -43.045 -16.156 1.00 0.00 H new ATOM 0 H3' U B 498 31.216 -41.484 -16.171 1.00 0.00 H new ATOM 0 H2' U B 498 32.422 -43.663 -15.685 1.00 0.00 H new ATOM 0 HO2' U B 498 30.508 -43.933 -14.170 1.00 0.00 H new ATOM 0 HO3' U B 498 29.367 -42.399 -14.260 1.00 0.00 H new ATOM 0 H1' U B 498 30.918 -45.013 -17.533 1.00 0.00 H new ATOM 0 H3 U B 498 34.739 -45.443 -19.585 1.00 0.00 H new ATOM 0 H5 U B 498 34.026 -41.283 -19.753 1.00 0.00 H new ATOM 0 H6 U B 498 32.081 -41.658 -18.383 1.00 0.00 H new TER 1084 U B 498 HETATM 1085 ZN ZN A 57 36.417 -32.124 -8.364 1.00 0.00 ZN