USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 516 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 34 HIS HE2 : A 34 HIS NE2 : A 57 ZNZN :(H bumps) USER MOD 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= -0.605 K(o=-0.6,f=-3.7!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.0147 X(o=-0.015,f=-0.028) 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= -0.0161 X(o=-0.016,f=-0.17) USER MOD Single : A 25 GLN : amide:sc= -0.0423 K(o=-0.042,f=-2!) 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+ -144:sc= 0.9 (180deg=0.22) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -124:sc= 2.61 (180deg=-1.19) USER MOD Single : A 52 GLN : amide:sc= -0.0194 X(o=-0.019,f=-0.0097) 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 517 U O2' : rot -100:sc= 0.52 USER MOD Single : B 518 U O2' : rot -30:sc= 0.495 USER MOD Single : B 519 U O2' : rot -15:sc= 0.316 USER MOD Single : B 520 U O2' : rot -108:sc= 0.815 USER MOD Single : B 521 G O2' : rot -12:sc= 0.568 USER MOD Single : B 522 C O2' : rot -16:sc= 0.441 USER MOD Single : B 523 U O2' : rot -16:sc= 0.455 USER MOD Single : B 523 U O3' : rot 180:sc= 0.303 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 7.849 11.877 -38.926 1.00 0.00 N ATOM 2 CA ALA A 1 6.734 12.453 -39.658 1.00 0.00 C ATOM 3 C ALA A 1 5.426 11.851 -39.143 1.00 0.00 C ATOM 4 O ALA A 1 5.100 10.706 -39.454 1.00 0.00 O ATOM 5 CB ALA A 1 6.932 12.223 -41.157 1.00 0.00 C ATOM 0 H1 ALA A 1 8.740 12.284 -39.274 1.00 0.00 H new ATOM 0 H2 ALA A 1 7.745 12.087 -37.913 1.00 0.00 H new ATOM 0 H3 ALA A 1 7.861 10.847 -39.067 1.00 0.00 H new ATOM 0 HA ALA A 1 6.686 13.530 -39.498 1.00 0.00 H new ATOM 0 HB1 ALA A 1 6.095 12.655 -41.705 1.00 0.00 H new ATOM 0 HB2 ALA A 1 7.860 12.697 -41.478 1.00 0.00 H new ATOM 0 HB3 ALA A 1 6.983 11.153 -41.357 1.00 0.00 H new ATOM 11 N THR A 2 4.709 12.649 -38.364 1.00 0.00 N ATOM 12 CA THR A 2 3.443 12.208 -37.804 1.00 0.00 C ATOM 13 C THR A 2 2.523 13.405 -37.559 1.00 0.00 C ATOM 14 O THR A 2 2.847 14.291 -36.769 1.00 0.00 O ATOM 15 CB THR A 2 3.742 11.402 -36.538 1.00 0.00 C ATOM 16 OG1 THR A 2 2.533 11.476 -35.786 1.00 0.00 O ATOM 17 CG2 THR A 2 4.780 12.082 -35.642 1.00 0.00 C ATOM 0 H THR A 2 4.981 13.598 -38.108 1.00 0.00 H new ATOM 0 HA THR A 2 2.906 11.562 -38.499 1.00 0.00 H new ATOM 0 HB THR A 2 4.096 10.409 -36.815 1.00 0.00 H new ATOM 0 HG1 THR A 2 2.638 10.978 -34.948 1.00 0.00 H new ATOM 0 HG21 THR A 2 4.955 11.469 -34.758 1.00 0.00 H new ATOM 0 HG22 THR A 2 5.713 12.201 -36.192 1.00 0.00 H new ATOM 0 HG23 THR A 2 4.411 13.061 -35.337 1.00 0.00 H new ATOM 25 N VAL A 3 1.393 13.393 -38.250 1.00 0.00 N ATOM 26 CA VAL A 3 0.423 14.468 -38.118 1.00 0.00 C ATOM 27 C VAL A 3 -0.977 13.923 -38.408 1.00 0.00 C ATOM 28 O VAL A 3 -1.162 13.137 -39.335 1.00 0.00 O ATOM 29 CB VAL A 3 0.810 15.636 -39.026 1.00 0.00 C ATOM 30 CG1 VAL A 3 -0.274 16.716 -39.020 1.00 0.00 C ATOM 31 CG2 VAL A 3 2.166 16.218 -38.622 1.00 0.00 C ATOM 0 H VAL A 3 1.127 12.656 -38.903 1.00 0.00 H new ATOM 0 HA VAL A 3 0.417 14.855 -37.099 1.00 0.00 H new ATOM 0 HB VAL A 3 0.899 15.255 -40.044 1.00 0.00 H new ATOM 0 HG11 VAL A 3 0.025 17.536 -39.673 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.212 16.292 -39.377 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.408 17.091 -38.005 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.418 17.047 -39.283 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.116 16.576 -37.594 1.00 0.00 H new ATOM 0 HG23 VAL A 3 2.931 15.446 -38.701 1.00 0.00 H new ATOM 41 N VAL A 4 -1.929 14.363 -37.597 1.00 0.00 N ATOM 42 CA VAL A 4 -3.306 13.930 -37.755 1.00 0.00 C ATOM 43 C VAL A 4 -4.208 15.157 -37.900 1.00 0.00 C ATOM 44 O VAL A 4 -4.007 16.163 -37.222 1.00 0.00 O ATOM 45 CB VAL A 4 -3.708 13.027 -36.587 1.00 0.00 C ATOM 46 CG1 VAL A 4 -3.821 13.829 -35.288 1.00 0.00 C ATOM 47 CG2 VAL A 4 -5.012 12.286 -36.890 1.00 0.00 C ATOM 0 H VAL A 4 -1.773 15.015 -36.828 1.00 0.00 H new ATOM 0 HA VAL A 4 -3.418 13.335 -38.661 1.00 0.00 H new ATOM 0 HB VAL A 4 -2.923 12.282 -36.454 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -4.108 13.164 -34.474 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.860 14.289 -35.059 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -4.576 14.606 -35.405 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -5.275 11.651 -36.044 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -5.809 13.009 -37.063 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -4.882 11.669 -37.779 1.00 0.00 H new ATOM 57 N SER A 5 -5.183 15.033 -38.789 1.00 0.00 N ATOM 58 CA SER A 5 -6.117 16.120 -39.032 1.00 0.00 C ATOM 59 C SER A 5 -7.455 15.561 -39.520 1.00 0.00 C ATOM 60 O SER A 5 -7.489 14.558 -40.232 1.00 0.00 O ATOM 61 CB SER A 5 -5.554 17.113 -40.050 1.00 0.00 C ATOM 62 OG SER A 5 -5.614 16.607 -41.380 1.00 0.00 O ATOM 0 H SER A 5 -5.346 14.197 -39.350 1.00 0.00 H new ATOM 0 HA SER A 5 -6.273 16.652 -38.094 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.113 18.047 -39.992 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.519 17.344 -39.797 1.00 0.00 H new ATOM 0 HG SER A 5 -5.247 17.271 -42.000 1.00 0.00 H new ATOM 68 N GLY A 6 -8.523 16.234 -39.119 1.00 0.00 N ATOM 69 CA GLY A 6 -9.859 15.816 -39.507 1.00 0.00 C ATOM 70 C GLY A 6 -10.878 16.929 -39.249 1.00 0.00 C ATOM 71 O GLY A 6 -10.573 17.910 -38.573 1.00 0.00 O ATOM 0 H GLY A 6 -8.490 17.066 -38.529 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -9.868 15.548 -40.563 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -10.141 14.923 -38.949 1.00 0.00 H new ATOM 75 N GLN A 7 -12.068 16.738 -39.799 1.00 0.00 N ATOM 76 CA GLN A 7 -13.133 17.713 -39.636 1.00 0.00 C ATOM 77 C GLN A 7 -13.951 17.400 -38.382 1.00 0.00 C ATOM 78 O GLN A 7 -14.280 16.243 -38.124 1.00 0.00 O ATOM 79 CB GLN A 7 -14.027 17.759 -40.877 1.00 0.00 C ATOM 80 CG GLN A 7 -13.310 18.441 -42.044 1.00 0.00 C ATOM 81 CD GLN A 7 -13.349 19.963 -41.899 1.00 0.00 C ATOM 82 OE1 GLN A 7 -12.924 20.529 -40.905 1.00 0.00 O ATOM 83 NE2 GLN A 7 -13.882 20.594 -42.942 1.00 0.00 N ATOM 0 H GLN A 7 -12.318 15.922 -40.358 1.00 0.00 H new ATOM 0 HA GLN A 7 -12.683 18.698 -39.516 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -14.312 16.746 -41.162 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -14.947 18.296 -40.647 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -12.275 18.103 -42.087 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -13.779 18.150 -42.984 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -14.219 20.060 -43.743 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -13.954 21.611 -42.940 1.00 0.00 H new ATOM 92 N LYS A 8 -14.256 18.452 -37.636 1.00 0.00 N ATOM 93 CA LYS A 8 -15.030 18.304 -36.415 1.00 0.00 C ATOM 94 C LYS A 8 -15.474 19.684 -35.928 1.00 0.00 C ATOM 95 O LYS A 8 -14.643 20.554 -35.672 1.00 0.00 O ATOM 96 CB LYS A 8 -14.240 17.510 -35.373 1.00 0.00 C ATOM 97 CG LYS A 8 -14.637 16.033 -35.393 1.00 0.00 C ATOM 98 CD LYS A 8 -13.414 15.139 -35.611 1.00 0.00 C ATOM 99 CE LYS A 8 -13.462 13.912 -34.699 1.00 0.00 C ATOM 100 NZ LYS A 8 -12.762 12.770 -35.329 1.00 0.00 N ATOM 0 H LYS A 8 -13.981 19.410 -37.854 1.00 0.00 H new ATOM 0 HA LYS A 8 -15.934 17.726 -36.605 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -13.172 17.606 -35.570 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -14.420 17.925 -34.381 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.121 15.770 -34.452 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -15.365 15.859 -36.185 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.373 14.821 -36.653 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -12.504 15.707 -35.415 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -12.999 14.146 -33.740 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -14.499 13.643 -34.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -12.804 11.945 -34.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -13.221 12.537 -36.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -11.768 13.024 -35.501 1.00 0.00 H new ATOM 114 N GLN A 9 -16.786 19.843 -35.815 1.00 0.00 N ATOM 115 CA GLN A 9 -17.351 21.104 -35.363 1.00 0.00 C ATOM 116 C GLN A 9 -18.082 20.911 -34.034 1.00 0.00 C ATOM 117 O GLN A 9 -18.305 19.780 -33.602 1.00 0.00 O ATOM 118 CB GLN A 9 -18.283 21.696 -36.422 1.00 0.00 C ATOM 119 CG GLN A 9 -19.516 20.812 -36.623 1.00 0.00 C ATOM 120 CD GLN A 9 -20.134 21.040 -38.004 1.00 0.00 C ATOM 121 OE1 GLN A 9 -19.534 20.776 -39.032 1.00 0.00 O ATOM 122 NE2 GLN A 9 -21.365 21.543 -37.968 1.00 0.00 N ATOM 0 H GLN A 9 -17.473 19.120 -36.029 1.00 0.00 H new ATOM 0 HA GLN A 9 -16.536 21.811 -35.207 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -18.594 22.696 -36.120 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -17.748 21.800 -37.366 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -19.238 19.764 -36.513 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -20.253 21.029 -35.850 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -21.809 21.741 -37.071 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -21.865 21.731 -38.837 1.00 0.00 H new ATOM 131 N ASP A 10 -18.435 22.031 -33.421 1.00 0.00 N ATOM 132 CA ASP A 10 -19.136 22.000 -32.149 1.00 0.00 C ATOM 133 C ASP A 10 -20.502 22.671 -32.308 1.00 0.00 C ATOM 134 O ASP A 10 -20.771 23.303 -33.328 1.00 0.00 O ATOM 135 CB ASP A 10 -18.357 22.759 -31.071 1.00 0.00 C ATOM 136 CG ASP A 10 -16.873 22.401 -30.972 1.00 0.00 C ATOM 137 OD1 ASP A 10 -16.569 21.446 -30.224 1.00 0.00 O ATOM 138 OD2 ASP A 10 -16.077 23.088 -31.647 1.00 0.00 O ATOM 0 H ASP A 10 -18.248 22.967 -33.782 1.00 0.00 H new ATOM 0 HA ASP A 10 -19.243 20.958 -31.848 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -18.445 23.828 -31.265 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -18.826 22.571 -30.105 1.00 0.00 H new ATOM 143 N ARG A 11 -21.326 22.512 -31.283 1.00 0.00 N ATOM 144 CA ARG A 11 -22.657 23.095 -31.296 1.00 0.00 C ATOM 145 C ARG A 11 -23.115 23.404 -29.869 1.00 0.00 C ATOM 146 O ARG A 11 -23.472 24.539 -29.560 1.00 0.00 O ATOM 147 CB ARG A 11 -23.665 22.152 -31.955 1.00 0.00 C ATOM 148 CG ARG A 11 -23.890 22.527 -33.422 1.00 0.00 C ATOM 149 CD ARG A 11 -24.538 23.908 -33.540 1.00 0.00 C ATOM 150 NE ARG A 11 -25.278 24.012 -34.818 1.00 0.00 N ATOM 151 CZ ARG A 11 -26.445 23.401 -35.062 1.00 0.00 C ATOM 152 NH1 ARG A 11 -27.014 22.641 -34.116 1.00 0.00 N ATOM 153 NH2 ARG A 11 -27.046 23.552 -36.250 1.00 0.00 N ATOM 0 H ARG A 11 -21.098 21.988 -30.438 1.00 0.00 H new ATOM 0 HA ARG A 11 -22.609 24.018 -31.874 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -23.304 21.125 -31.890 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -24.612 22.192 -31.416 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -22.938 22.521 -33.953 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -24.526 21.781 -33.899 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -25.216 24.073 -32.703 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -23.773 24.683 -33.489 1.00 0.00 H new ATOM 0 HE ARG A 11 -24.874 24.585 -35.559 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -26.559 22.528 -33.210 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -27.903 22.176 -34.302 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -26.615 24.133 -36.969 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -27.934 23.086 -36.435 1.00 0.00 H new ATOM 167 N GLN A 12 -23.090 22.372 -29.038 1.00 0.00 N ATOM 168 CA GLN A 12 -23.499 22.519 -27.651 1.00 0.00 C ATOM 169 C GLN A 12 -22.327 23.019 -26.803 1.00 0.00 C ATOM 170 O GLN A 12 -21.446 22.243 -26.436 1.00 0.00 O ATOM 171 CB GLN A 12 -24.052 21.204 -27.100 1.00 0.00 C ATOM 172 CG GLN A 12 -24.590 21.388 -25.679 1.00 0.00 C ATOM 173 CD GLN A 12 -25.996 20.800 -25.545 1.00 0.00 C ATOM 174 OE1 GLN A 12 -26.184 19.641 -25.214 1.00 0.00 O ATOM 175 NE2 GLN A 12 -26.971 21.662 -25.821 1.00 0.00 N ATOM 0 H GLN A 12 -22.793 21.431 -29.298 1.00 0.00 H new ATOM 0 HA GLN A 12 -24.298 23.259 -27.604 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -24.848 20.839 -27.750 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -23.268 20.447 -27.101 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -23.920 20.905 -24.967 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -24.610 22.449 -25.428 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -26.744 22.619 -26.092 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -27.945 21.366 -25.761 1.00 0.00 H new ATOM 184 N GLY A 13 -22.356 24.312 -26.515 1.00 0.00 N ATOM 185 CA GLY A 13 -21.307 24.925 -25.717 1.00 0.00 C ATOM 186 C GLY A 13 -19.925 24.449 -26.169 1.00 0.00 C ATOM 187 O GLY A 13 -19.771 23.949 -27.282 1.00 0.00 O ATOM 0 H GLY A 13 -23.089 24.952 -26.820 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -21.368 26.010 -25.802 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -21.454 24.679 -24.665 1.00 0.00 H new ATOM 191 N GLY A 14 -18.956 24.623 -25.284 1.00 0.00 N ATOM 192 CA GLY A 14 -17.591 24.218 -25.578 1.00 0.00 C ATOM 193 C GLY A 14 -16.734 24.218 -24.310 1.00 0.00 C ATOM 194 O GLY A 14 -16.318 25.275 -23.839 1.00 0.00 O ATOM 0 H GLY A 14 -19.088 25.039 -24.362 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -17.591 23.222 -26.021 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -17.158 24.895 -26.314 1.00 0.00 H new ATOM 198 N GLU A 15 -16.495 23.021 -23.797 1.00 0.00 N ATOM 199 CA GLU A 15 -15.696 22.869 -22.593 1.00 0.00 C ATOM 200 C GLU A 15 -14.816 21.620 -22.694 1.00 0.00 C ATOM 201 O GLU A 15 -13.592 21.710 -22.608 1.00 0.00 O ATOM 202 CB GLU A 15 -16.582 22.816 -21.348 1.00 0.00 C ATOM 203 CG GLU A 15 -15.835 23.339 -20.120 1.00 0.00 C ATOM 204 CD GLU A 15 -15.964 22.367 -18.944 1.00 0.00 C ATOM 205 OE1 GLU A 15 -17.088 22.276 -18.404 1.00 0.00 O ATOM 206 OE2 GLU A 15 -14.935 21.738 -18.614 1.00 0.00 O ATOM 0 H GLU A 15 -16.841 22.147 -24.193 1.00 0.00 H new ATOM 0 HA GLU A 15 -15.048 23.740 -22.499 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -17.481 23.410 -21.512 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -16.906 21.790 -21.171 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -14.782 23.482 -20.364 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -16.232 24.314 -19.836 1.00 0.00 H new ATOM 213 N ARG A 16 -15.475 20.486 -22.876 1.00 0.00 N ATOM 214 CA ARG A 16 -14.768 19.221 -22.990 1.00 0.00 C ATOM 215 C ARG A 16 -15.253 18.451 -24.220 1.00 0.00 C ATOM 216 O ARG A 16 -16.368 17.931 -24.232 1.00 0.00 O ATOM 217 CB ARG A 16 -14.977 18.359 -21.743 1.00 0.00 C ATOM 218 CG ARG A 16 -13.706 18.307 -20.894 1.00 0.00 C ATOM 219 CD ARG A 16 -13.416 19.666 -20.254 1.00 0.00 C ATOM 220 NE ARG A 16 -12.144 20.211 -20.777 1.00 0.00 N ATOM 221 CZ ARG A 16 -11.789 21.501 -20.696 1.00 0.00 C ATOM 222 NH1 ARG A 16 -12.609 22.385 -20.111 1.00 0.00 N ATOM 223 NH2 ARG A 16 -10.615 21.906 -21.198 1.00 0.00 N ATOM 0 H ARG A 16 -16.490 20.416 -22.947 1.00 0.00 H new ATOM 0 HA ARG A 16 -13.706 19.443 -23.091 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -15.798 18.763 -21.151 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -15.263 17.349 -22.038 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -13.815 17.551 -20.116 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -12.862 18.006 -21.515 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -14.231 20.358 -20.465 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -13.358 19.562 -19.171 1.00 0.00 H new ATOM 0 HE ARG A 16 -11.496 19.564 -21.228 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -13.502 22.076 -19.728 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -12.340 23.367 -20.049 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -9.991 21.233 -21.642 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -10.345 22.888 -21.136 1.00 0.00 H new ATOM 237 N ARG A 17 -14.391 18.403 -25.226 1.00 0.00 N ATOM 238 CA ARG A 17 -14.717 17.706 -26.457 1.00 0.00 C ATOM 239 C ARG A 17 -13.829 16.470 -26.619 1.00 0.00 C ATOM 240 O ARG A 17 -12.611 16.588 -26.739 1.00 0.00 O ATOM 241 CB ARG A 17 -14.535 18.618 -27.672 1.00 0.00 C ATOM 242 CG ARG A 17 -14.912 17.891 -28.965 1.00 0.00 C ATOM 243 CD ARG A 17 -14.907 18.854 -30.155 1.00 0.00 C ATOM 244 NE ARG A 17 -13.867 18.449 -31.128 1.00 0.00 N ATOM 245 CZ ARG A 17 -13.444 19.221 -32.138 1.00 0.00 C ATOM 246 NH1 ARG A 17 -13.966 20.442 -32.314 1.00 0.00 N ATOM 247 NH2 ARG A 17 -12.496 18.772 -32.972 1.00 0.00 N ATOM 0 H ARG A 17 -13.467 18.836 -25.213 1.00 0.00 H new ATOM 0 HA ARG A 17 -15.762 17.402 -26.398 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -15.153 19.509 -27.558 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -13.499 18.953 -27.728 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -14.210 17.078 -29.147 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -15.900 17.442 -28.860 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -15.885 18.857 -30.636 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -14.718 19.871 -29.810 1.00 0.00 H new ATOM 0 HE ARG A 17 -13.447 17.526 -31.023 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -14.686 20.785 -31.679 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -13.643 21.029 -33.083 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -12.097 17.843 -32.838 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -12.174 19.359 -33.741 1.00 0.00 H new ATOM 261 N ARG A 18 -14.475 15.312 -26.616 1.00 0.00 N ATOM 262 CA ARG A 18 -13.759 14.056 -26.761 1.00 0.00 C ATOM 263 C ARG A 18 -14.344 13.242 -27.916 1.00 0.00 C ATOM 264 O ARG A 18 -14.760 12.100 -27.728 1.00 0.00 O ATOM 265 CB ARG A 18 -13.832 13.229 -25.475 1.00 0.00 C ATOM 266 CG ARG A 18 -13.038 13.895 -24.350 1.00 0.00 C ATOM 267 CD ARG A 18 -13.413 13.303 -22.990 1.00 0.00 C ATOM 268 NE ARG A 18 -14.004 14.349 -22.127 1.00 0.00 N ATOM 269 CZ ARG A 18 -14.821 14.098 -21.095 1.00 0.00 C ATOM 270 NH1 ARG A 18 -15.148 12.835 -20.791 1.00 0.00 N ATOM 271 NH2 ARG A 18 -15.310 15.111 -20.367 1.00 0.00 N ATOM 0 H ARG A 18 -15.486 15.218 -26.515 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.715 14.291 -26.970 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.872 13.113 -25.171 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -13.440 12.229 -25.659 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -11.970 13.763 -24.526 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -13.231 14.968 -24.349 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -14.123 12.486 -23.123 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -12.529 12.882 -22.511 1.00 0.00 H new ATOM 0 HE ARG A 18 -13.775 15.322 -22.330 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -14.775 12.064 -21.345 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -15.770 12.644 -20.005 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -15.060 16.072 -20.599 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -15.932 14.921 -19.581 1.00 0.00 H new ATOM 285 N SER A 19 -14.358 13.861 -29.088 1.00 0.00 N ATOM 286 CA SER A 19 -14.884 13.208 -30.274 1.00 0.00 C ATOM 287 C SER A 19 -16.372 12.902 -30.086 1.00 0.00 C ATOM 288 O SER A 19 -17.228 13.628 -30.589 1.00 0.00 O ATOM 289 CB SER A 19 -14.113 11.924 -30.584 1.00 0.00 C ATOM 290 OG SER A 19 -13.010 12.161 -31.454 1.00 0.00 O ATOM 0 H SER A 19 -14.013 14.809 -29.241 1.00 0.00 H new ATOM 0 HA SER A 19 -14.763 13.885 -31.120 1.00 0.00 H new ATOM 0 HB2 SER A 19 -13.753 11.484 -29.654 1.00 0.00 H new ATOM 0 HB3 SER A 19 -14.786 11.198 -31.041 1.00 0.00 H new ATOM 0 HG SER A 19 -12.542 11.317 -31.627 1.00 0.00 H new ATOM 296 N GLN A 20 -16.634 11.826 -29.359 1.00 0.00 N ATOM 297 CA GLN A 20 -18.003 11.414 -29.097 1.00 0.00 C ATOM 298 C GLN A 20 -18.054 10.475 -27.890 1.00 0.00 C ATOM 299 O GLN A 20 -18.869 9.555 -27.850 1.00 0.00 O ATOM 300 CB GLN A 20 -18.623 10.757 -30.332 1.00 0.00 C ATOM 301 CG GLN A 20 -20.145 10.678 -30.204 1.00 0.00 C ATOM 302 CD GLN A 20 -20.827 11.133 -31.497 1.00 0.00 C ATOM 303 OE1 GLN A 20 -20.386 10.845 -32.597 1.00 0.00 O ATOM 304 NE2 GLN A 20 -21.925 11.858 -31.302 1.00 0.00 N ATOM 0 H GLN A 20 -15.921 11.227 -28.943 1.00 0.00 H new ATOM 0 HA GLN A 20 -18.591 12.302 -28.865 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -18.358 11.326 -31.223 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -18.213 9.755 -30.460 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -20.442 9.655 -29.972 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -20.477 11.302 -29.374 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -22.239 12.063 -30.353 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -22.453 12.209 -32.101 1.00 0.00 H new ATOM 313 N LEU A 21 -17.172 10.739 -26.938 1.00 0.00 N ATOM 314 CA LEU A 21 -17.106 9.927 -25.734 1.00 0.00 C ATOM 315 C LEU A 21 -18.156 10.418 -24.735 1.00 0.00 C ATOM 316 O LEU A 21 -17.989 11.470 -24.121 1.00 0.00 O ATOM 317 CB LEU A 21 -15.682 9.916 -25.173 1.00 0.00 C ATOM 318 CG LEU A 21 -15.528 9.384 -23.747 1.00 0.00 C ATOM 319 CD1 LEU A 21 -15.990 10.421 -22.722 1.00 0.00 C ATOM 320 CD2 LEU A 21 -16.255 8.048 -23.579 1.00 0.00 C ATOM 0 H LEU A 21 -16.497 11.503 -26.975 1.00 0.00 H new ATOM 0 HA LEU A 21 -17.343 8.888 -25.962 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -15.057 9.315 -25.833 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -15.292 10.934 -25.204 1.00 0.00 H new ATOM 0 HG LEU A 21 -14.469 9.200 -23.563 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -15.870 10.017 -21.717 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -15.390 11.326 -22.824 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -17.039 10.660 -22.894 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -16.130 7.692 -22.557 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -17.316 8.182 -23.789 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -15.838 7.317 -24.272 1.00 0.00 H new ATOM 332 N ASP A 22 -19.215 9.632 -24.606 1.00 0.00 N ATOM 333 CA ASP A 22 -20.292 9.974 -23.693 1.00 0.00 C ATOM 334 C ASP A 22 -19.803 9.813 -22.251 1.00 0.00 C ATOM 335 O ASP A 22 -18.824 9.113 -21.999 1.00 0.00 O ATOM 336 CB ASP A 22 -21.495 9.049 -23.889 1.00 0.00 C ATOM 337 CG ASP A 22 -22.325 9.326 -25.145 1.00 0.00 C ATOM 338 OD1 ASP A 22 -23.241 10.169 -25.045 1.00 0.00 O ATOM 339 OD2 ASP A 22 -22.023 8.688 -26.176 1.00 0.00 O ATOM 0 H ASP A 22 -19.350 8.760 -25.118 1.00 0.00 H new ATOM 0 HA ASP A 22 -20.591 11.003 -23.895 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -21.140 8.019 -23.926 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -22.144 9.132 -23.017 1.00 0.00 H new ATOM 344 N ARG A 23 -20.508 10.473 -21.345 1.00 0.00 N ATOM 345 CA ARG A 23 -20.159 10.413 -19.935 1.00 0.00 C ATOM 346 C ARG A 23 -20.361 8.994 -19.399 1.00 0.00 C ATOM 347 O ARG A 23 -19.967 8.689 -18.274 1.00 0.00 O ATOM 348 CB ARG A 23 -21.007 11.386 -19.115 1.00 0.00 C ATOM 349 CG ARG A 23 -20.424 12.799 -19.167 1.00 0.00 C ATOM 350 CD ARG A 23 -19.115 12.882 -18.379 1.00 0.00 C ATOM 351 NE ARG A 23 -19.352 12.520 -16.964 1.00 0.00 N ATOM 352 CZ ARG A 23 -18.381 12.204 -16.096 1.00 0.00 C ATOM 353 NH1 ARG A 23 -17.101 12.205 -16.493 1.00 0.00 N ATOM 354 NH2 ARG A 23 -18.690 11.889 -14.831 1.00 0.00 N ATOM 0 H ARG A 23 -21.320 11.052 -21.559 1.00 0.00 H new ATOM 0 HA ARG A 23 -19.110 10.696 -19.841 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -22.028 11.396 -19.497 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -21.057 11.047 -18.080 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -20.247 13.085 -20.204 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -21.144 13.508 -18.759 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -18.375 12.211 -18.816 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -18.707 13.891 -18.441 1.00 0.00 H new ATOM 0 HE ARG A 23 -20.315 12.510 -16.628 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -16.866 12.446 -17.456 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -16.362 11.965 -15.832 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -19.664 11.890 -14.529 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -17.951 11.648 -14.170 1.00 0.00 H new ATOM 368 N ASP A 24 -20.974 8.163 -20.229 1.00 0.00 N ATOM 369 CA ASP A 24 -21.234 6.784 -19.853 1.00 0.00 C ATOM 370 C ASP A 24 -20.671 5.852 -20.927 1.00 0.00 C ATOM 371 O ASP A 24 -21.179 4.749 -21.125 1.00 0.00 O ATOM 372 CB ASP A 24 -22.736 6.518 -19.735 1.00 0.00 C ATOM 373 CG ASP A 24 -23.334 6.786 -18.352 1.00 0.00 C ATOM 374 OD1 ASP A 24 -23.205 7.940 -17.892 1.00 0.00 O ATOM 375 OD2 ASP A 24 -23.905 5.829 -17.786 1.00 0.00 O ATOM 0 H ASP A 24 -21.298 8.419 -21.162 1.00 0.00 H new ATOM 0 HA ASP A 24 -20.760 6.603 -18.888 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -23.258 7.136 -20.466 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -22.928 5.479 -20.002 1.00 0.00 H new ATOM 380 N GLN A 25 -19.630 6.330 -21.593 1.00 0.00 N ATOM 381 CA GLN A 25 -18.994 5.552 -22.644 1.00 0.00 C ATOM 382 C GLN A 25 -17.580 5.148 -22.221 1.00 0.00 C ATOM 383 O GLN A 25 -17.151 5.448 -21.108 1.00 0.00 O ATOM 384 CB GLN A 25 -18.971 6.328 -23.962 1.00 0.00 C ATOM 385 CG GLN A 25 -20.050 5.815 -24.918 1.00 0.00 C ATOM 386 CD GLN A 25 -19.822 6.343 -26.337 1.00 0.00 C ATOM 387 OE1 GLN A 25 -18.785 6.898 -26.661 1.00 0.00 O ATOM 388 NE2 GLN A 25 -20.845 6.137 -27.161 1.00 0.00 N ATOM 0 H GLN A 25 -19.211 7.245 -21.426 1.00 0.00 H new ATOM 0 HA GLN A 25 -19.578 4.646 -22.804 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -19.128 7.389 -23.767 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -17.991 6.231 -24.428 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -20.045 4.725 -24.927 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -21.033 6.126 -24.564 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -21.684 5.665 -26.824 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -20.790 6.450 -28.130 1.00 0.00 H new ATOM 397 N CYS A 26 -16.895 4.473 -23.133 1.00 0.00 N ATOM 398 CA CYS A 26 -15.538 4.025 -22.869 1.00 0.00 C ATOM 399 C CYS A 26 -14.594 4.760 -23.824 1.00 0.00 C ATOM 400 O CYS A 26 -14.896 4.908 -25.007 1.00 0.00 O ATOM 401 CB CYS A 26 -15.409 2.505 -22.996 1.00 0.00 C ATOM 402 SG CYS A 26 -13.671 1.999 -22.725 1.00 0.00 S ATOM 0 H CYS A 26 -17.254 4.226 -24.055 1.00 0.00 H new ATOM 0 HA CYS A 26 -15.268 4.262 -21.840 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -16.057 2.015 -22.269 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -15.740 2.185 -23.984 1.00 0.00 H new ATOM 407 N ALA A 27 -13.472 5.200 -23.274 1.00 0.00 N ATOM 408 CA ALA A 27 -12.483 5.915 -24.062 1.00 0.00 C ATOM 409 C ALA A 27 -11.272 5.010 -24.294 1.00 0.00 C ATOM 410 O ALA A 27 -10.132 5.470 -24.247 1.00 0.00 O ATOM 411 CB ALA A 27 -12.111 7.219 -23.354 1.00 0.00 C ATOM 0 H ALA A 27 -13.226 5.075 -22.292 1.00 0.00 H new ATOM 0 HA ALA A 27 -12.888 6.180 -25.039 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.369 7.755 -23.945 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -13.001 7.838 -23.241 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.698 6.994 -22.371 1.00 0.00 H new ATOM 417 N TYR A 28 -11.558 3.741 -24.539 1.00 0.00 N ATOM 418 CA TYR A 28 -10.506 2.768 -24.778 1.00 0.00 C ATOM 419 C TYR A 28 -10.864 1.850 -25.948 1.00 0.00 C ATOM 420 O TYR A 28 -10.069 1.674 -26.870 1.00 0.00 O ATOM 421 CB TYR A 28 -10.407 1.931 -23.501 1.00 0.00 C ATOM 422 CG TYR A 28 -8.994 1.434 -23.191 1.00 0.00 C ATOM 423 CD1 TYR A 28 -7.934 2.317 -23.198 1.00 0.00 C ATOM 424 CD2 TYR A 28 -8.779 0.100 -22.905 1.00 0.00 C ATOM 425 CE1 TYR A 28 -6.604 1.849 -22.906 1.00 0.00 C ATOM 426 CE2 TYR A 28 -7.449 -0.368 -22.613 1.00 0.00 C ATOM 427 CZ TYR A 28 -6.427 0.529 -22.629 1.00 0.00 C ATOM 428 OH TYR A 28 -5.171 0.087 -22.353 1.00 0.00 O ATOM 0 H TYR A 28 -12.505 3.363 -24.577 1.00 0.00 H new ATOM 0 HA TYR A 28 -9.569 3.268 -25.024 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -10.764 2.526 -22.660 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -11.072 1.072 -23.589 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -8.102 3.360 -23.423 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -9.608 -0.592 -22.900 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -5.766 2.530 -22.907 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -7.267 -1.408 -22.386 1.00 0.00 H new ATOM 0 HH TYR A 28 -5.195 -0.876 -22.173 1.00 0.00 H new ATOM 438 N CYS A 29 -12.061 1.288 -25.873 1.00 0.00 N ATOM 439 CA CYS A 29 -12.535 0.391 -26.915 1.00 0.00 C ATOM 440 C CYS A 29 -13.589 1.130 -27.742 1.00 0.00 C ATOM 441 O CYS A 29 -13.828 0.788 -28.899 1.00 0.00 O ATOM 442 CB CYS A 29 -13.077 -0.915 -26.334 1.00 0.00 C ATOM 443 SG CYS A 29 -14.512 -0.571 -25.252 1.00 0.00 S ATOM 0 H CYS A 29 -12.718 1.436 -25.107 1.00 0.00 H new ATOM 0 HA CYS A 29 -11.703 0.106 -27.560 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -13.372 -1.587 -27.140 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -12.296 -1.422 -25.767 1.00 0.00 H new ATOM 448 N LYS A 30 -14.193 2.129 -27.115 1.00 0.00 N ATOM 449 CA LYS A 30 -15.217 2.918 -27.778 1.00 0.00 C ATOM 450 C LYS A 30 -16.589 2.297 -27.508 1.00 0.00 C ATOM 451 O LYS A 30 -17.515 2.463 -28.299 1.00 0.00 O ATOM 452 CB LYS A 30 -14.894 3.074 -29.265 1.00 0.00 C ATOM 453 CG LYS A 30 -15.282 4.466 -29.768 1.00 0.00 C ATOM 454 CD LYS A 30 -14.047 5.259 -30.197 1.00 0.00 C ATOM 455 CE LYS A 30 -14.049 6.657 -29.577 1.00 0.00 C ATOM 456 NZ LYS A 30 -14.340 7.681 -30.607 1.00 0.00 N ATOM 0 H LYS A 30 -13.993 2.410 -26.155 1.00 0.00 H new ATOM 0 HA LYS A 30 -15.240 3.930 -27.373 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -13.829 2.908 -29.429 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -15.427 2.315 -29.838 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -15.969 4.374 -30.609 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -15.810 5.006 -28.982 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -13.145 4.725 -29.896 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -14.022 5.340 -31.284 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -14.795 6.708 -28.784 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -13.081 6.859 -29.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -14.338 8.624 -30.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.613 7.642 -31.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -15.274 7.496 -31.026 1.00 0.00 H new ATOM 470 N GLU A 31 -16.674 1.594 -26.388 1.00 0.00 N ATOM 471 CA GLU A 31 -17.917 0.947 -26.005 1.00 0.00 C ATOM 472 C GLU A 31 -18.787 1.908 -25.192 1.00 0.00 C ATOM 473 O GLU A 31 -18.320 2.961 -24.761 1.00 0.00 O ATOM 474 CB GLU A 31 -17.647 -0.341 -25.224 1.00 0.00 C ATOM 475 CG GLU A 31 -18.949 -1.092 -24.938 1.00 0.00 C ATOM 476 CD GLU A 31 -18.670 -2.552 -24.576 1.00 0.00 C ATOM 477 OE1 GLU A 31 -17.910 -3.191 -25.336 1.00 0.00 O ATOM 478 OE2 GLU A 31 -19.224 -2.997 -23.547 1.00 0.00 O ATOM 0 H GLU A 31 -15.903 1.459 -25.734 1.00 0.00 H new ATOM 0 HA GLU A 31 -18.457 0.677 -26.912 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -16.972 -0.980 -25.792 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -17.146 -0.103 -24.285 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -19.482 -0.606 -24.120 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -19.598 -1.048 -25.812 1.00 0.00 H new ATOM 485 N LYS A 32 -20.038 1.511 -25.006 1.00 0.00 N ATOM 486 CA LYS A 32 -20.978 2.324 -24.252 1.00 0.00 C ATOM 487 C LYS A 32 -21.609 1.474 -23.148 1.00 0.00 C ATOM 488 O LYS A 32 -22.243 0.457 -23.428 1.00 0.00 O ATOM 489 CB LYS A 32 -21.998 2.971 -25.190 1.00 0.00 C ATOM 490 CG LYS A 32 -22.959 1.927 -25.760 1.00 0.00 C ATOM 491 CD LYS A 32 -24.350 2.063 -25.137 1.00 0.00 C ATOM 492 CE LYS A 32 -25.191 0.811 -25.393 1.00 0.00 C ATOM 493 NZ LYS A 32 -24.908 -0.222 -24.371 1.00 0.00 N ATOM 0 H LYS A 32 -20.422 0.637 -25.365 1.00 0.00 H new ATOM 0 HA LYS A 32 -20.462 3.150 -23.762 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -22.561 3.733 -24.651 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -21.479 3.476 -26.005 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -23.028 2.044 -26.842 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -22.569 0.927 -25.571 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -24.257 2.230 -24.064 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -24.855 2.935 -25.552 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -26.250 1.068 -25.376 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -24.975 0.417 -26.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -24.944 -1.164 -24.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -23.962 -0.063 -23.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -25.619 -0.165 -23.614 1.00 0.00 H new ATOM 507 N GLY A 33 -21.413 1.920 -21.916 1.00 0.00 N ATOM 508 CA GLY A 33 -21.956 1.214 -20.769 1.00 0.00 C ATOM 509 C GLY A 33 -20.923 1.120 -19.644 1.00 0.00 C ATOM 510 O GLY A 33 -21.267 1.235 -18.469 1.00 0.00 O ATOM 0 H GLY A 33 -20.885 2.762 -21.687 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -22.846 1.729 -20.408 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -22.266 0.213 -21.067 1.00 0.00 H new ATOM 514 N HIS A 34 -19.677 0.910 -20.044 1.00 0.00 N ATOM 515 CA HIS A 34 -18.592 0.798 -19.086 1.00 0.00 C ATOM 516 C HIS A 34 -17.588 1.931 -19.312 1.00 0.00 C ATOM 517 O HIS A 34 -17.574 2.549 -20.376 1.00 0.00 O ATOM 518 CB HIS A 34 -17.948 -0.588 -19.153 1.00 0.00 C ATOM 519 CG HIS A 34 -17.125 -0.823 -20.397 1.00 0.00 C ATOM 520 ND1 HIS A 34 -17.564 -1.605 -21.450 1.00 0.00 N ATOM 521 CD2 HIS A 34 -15.887 -0.369 -20.746 1.00 0.00 C ATOM 522 CE1 HIS A 34 -16.624 -1.616 -22.385 1.00 0.00 C ATOM 523 NE2 HIS A 34 -15.585 -0.849 -21.946 1.00 0.00 N ATOM 0 H HIS A 34 -19.396 0.815 -21.020 1.00 0.00 H new ATOM 0 HA HIS A 34 -18.984 0.903 -18.074 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -17.312 -0.725 -18.278 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -18.731 -1.344 -19.100 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -18.459 -2.091 -21.499 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -15.258 0.273 -20.147 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -16.672 -2.140 -23.328 1.00 0.00 H new ATOM 531 N TRP A 35 -16.772 2.168 -18.296 1.00 0.00 N ATOM 532 CA TRP A 35 -15.767 3.214 -18.371 1.00 0.00 C ATOM 533 C TRP A 35 -14.440 2.568 -18.771 1.00 0.00 C ATOM 534 O TRP A 35 -14.265 1.359 -18.622 1.00 0.00 O ATOM 535 CB TRP A 35 -15.682 3.988 -17.054 1.00 0.00 C ATOM 536 CG TRP A 35 -16.600 5.211 -16.989 1.00 0.00 C ATOM 537 CD1 TRP A 35 -17.860 5.320 -17.431 1.00 0.00 C ATOM 538 CD2 TRP A 35 -16.276 6.501 -16.431 1.00 0.00 C ATOM 539 NE1 TRP A 35 -18.370 6.581 -17.198 1.00 0.00 N ATOM 540 CE2 TRP A 35 -17.375 7.322 -16.570 1.00 0.00 C ATOM 541 CE3 TRP A 35 -15.092 6.959 -15.826 1.00 0.00 C ATOM 542 CZ2 TRP A 35 -17.401 8.651 -16.131 1.00 0.00 C ATOM 543 CZ3 TRP A 35 -15.133 8.289 -15.392 1.00 0.00 C ATOM 544 CH2 TRP A 35 -16.233 9.129 -15.526 1.00 0.00 C ATOM 0 H TRP A 35 -16.786 1.653 -17.416 1.00 0.00 H new ATOM 0 HA TRP A 35 -16.036 3.953 -19.126 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -15.931 3.316 -16.233 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -14.652 4.311 -16.900 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -18.408 4.522 -17.909 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -19.305 6.909 -17.442 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -14.220 6.334 -15.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -18.275 9.274 -16.253 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -14.249 8.691 -14.920 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -16.186 10.146 -15.165 1.00 0.00 H new ATOM 555 N ALA A 36 -13.539 3.401 -19.270 1.00 0.00 N ATOM 556 CA ALA A 36 -12.232 2.925 -19.694 1.00 0.00 C ATOM 557 C ALA A 36 -11.545 2.225 -18.519 1.00 0.00 C ATOM 558 O ALA A 36 -10.929 1.174 -18.693 1.00 0.00 O ATOM 559 CB ALA A 36 -11.412 4.098 -20.234 1.00 0.00 C ATOM 0 H ALA A 36 -13.688 4.403 -19.391 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.330 2.198 -20.500 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.432 3.741 -20.552 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.929 4.543 -21.084 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.289 4.847 -19.452 1.00 0.00 H new ATOM 565 N LYS A 37 -11.673 2.837 -17.351 1.00 0.00 N ATOM 566 CA LYS A 37 -11.071 2.285 -16.148 1.00 0.00 C ATOM 567 C LYS A 37 -11.695 0.920 -15.851 1.00 0.00 C ATOM 568 O LYS A 37 -11.175 0.160 -15.034 1.00 0.00 O ATOM 569 CB LYS A 37 -11.182 3.278 -14.990 1.00 0.00 C ATOM 570 CG LYS A 37 -10.121 4.374 -15.103 1.00 0.00 C ATOM 571 CD LYS A 37 -10.118 5.265 -13.859 1.00 0.00 C ATOM 572 CE LYS A 37 -9.771 6.710 -14.220 1.00 0.00 C ATOM 573 NZ LYS A 37 -8.693 7.219 -13.344 1.00 0.00 N ATOM 0 H LYS A 37 -12.184 3.709 -17.211 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.003 2.122 -16.296 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.175 3.727 -14.986 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.066 2.751 -14.043 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.138 3.921 -15.233 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.312 4.980 -15.988 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.097 5.231 -13.381 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.397 4.884 -13.136 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.457 6.765 -15.262 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.656 7.338 -14.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.470 8.201 -13.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.006 7.185 -12.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.844 6.629 -13.460 1.00 0.00 H new ATOM 587 N ASP A 38 -12.801 0.650 -16.529 1.00 0.00 N ATOM 588 CA ASP A 38 -13.502 -0.610 -16.347 1.00 0.00 C ATOM 589 C ASP A 38 -13.652 -1.305 -17.702 1.00 0.00 C ATOM 590 O ASP A 38 -14.557 -2.117 -17.891 1.00 0.00 O ATOM 591 CB ASP A 38 -14.902 -0.384 -15.775 1.00 0.00 C ATOM 592 CG ASP A 38 -15.316 -1.362 -14.673 1.00 0.00 C ATOM 593 OD1 ASP A 38 -15.804 -2.454 -15.037 1.00 0.00 O ATOM 594 OD2 ASP A 38 -15.134 -0.996 -13.491 1.00 0.00 O ATOM 0 H ASP A 38 -13.229 1.282 -17.205 1.00 0.00 H new ATOM 0 HA ASP A 38 -12.923 -1.220 -15.654 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -14.957 0.630 -15.379 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -15.625 -0.449 -16.588 1.00 0.00 H new ATOM 599 N CYS A 39 -12.752 -0.960 -18.612 1.00 0.00 N ATOM 600 CA CYS A 39 -12.773 -1.540 -19.942 1.00 0.00 C ATOM 601 C CYS A 39 -12.408 -3.022 -19.828 1.00 0.00 C ATOM 602 O CYS A 39 -11.381 -3.369 -19.248 1.00 0.00 O ATOM 603 CB CYS A 39 -11.838 -0.796 -20.899 1.00 0.00 C ATOM 604 SG CYS A 39 -12.068 -1.415 -22.606 1.00 0.00 S ATOM 0 H CYS A 39 -12.004 -0.285 -18.453 1.00 0.00 H new ATOM 0 HA CYS A 39 -13.773 -1.444 -20.366 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -12.042 0.274 -20.861 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -10.802 -0.935 -20.590 1.00 0.00 H new ATOM 609 N PRO A 40 -13.295 -3.878 -20.403 1.00 0.00 N ATOM 610 CA PRO A 40 -13.077 -5.314 -20.370 1.00 0.00 C ATOM 611 C PRO A 40 -11.985 -5.726 -21.359 1.00 0.00 C ATOM 612 O PRO A 40 -11.666 -6.908 -21.481 1.00 0.00 O ATOM 613 CB PRO A 40 -14.431 -5.924 -20.694 1.00 0.00 C ATOM 614 CG PRO A 40 -15.241 -4.818 -21.350 1.00 0.00 C ATOM 615 CD PRO A 40 -14.522 -3.503 -21.098 1.00 0.00 C ATOM 0 HA PRO A 40 -12.718 -5.663 -19.402 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -14.324 -6.779 -21.362 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -14.923 -6.285 -19.791 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -15.340 -5.000 -22.420 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -16.249 -4.787 -20.937 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -14.305 -2.985 -22.032 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -15.129 -2.829 -20.493 1.00 0.00 H new ATOM 623 N LYS A 41 -11.439 -4.728 -22.039 1.00 0.00 N ATOM 624 CA LYS A 41 -10.389 -4.972 -23.012 1.00 0.00 C ATOM 625 C LYS A 41 -9.027 -4.721 -22.360 1.00 0.00 C ATOM 626 O LYS A 41 -8.004 -5.194 -22.851 1.00 0.00 O ATOM 627 CB LYS A 41 -10.627 -4.143 -24.277 1.00 0.00 C ATOM 628 CG LYS A 41 -9.673 -4.564 -25.396 1.00 0.00 C ATOM 629 CD LYS A 41 -9.168 -3.346 -26.172 1.00 0.00 C ATOM 630 CE LYS A 41 -7.657 -3.424 -26.393 1.00 0.00 C ATOM 631 NZ LYS A 41 -7.338 -4.391 -27.467 1.00 0.00 N ATOM 0 H LYS A 41 -11.705 -3.749 -21.935 1.00 0.00 H new ATOM 0 HA LYS A 41 -10.402 -6.013 -23.334 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -11.658 -4.266 -24.608 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.488 -3.085 -24.054 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.827 -5.107 -24.973 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.183 -5.247 -26.076 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.677 -3.287 -27.134 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.413 -2.435 -25.625 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.271 -2.439 -26.656 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.164 -3.723 -25.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.308 -4.431 -27.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.689 -5.333 -27.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.793 -4.089 -28.352 1.00 0.00 H new ATOM 645 N LYS A 42 -9.060 -3.977 -21.264 1.00 0.00 N ATOM 646 CA LYS A 42 -7.841 -3.658 -20.540 1.00 0.00 C ATOM 647 C LYS A 42 -7.051 -4.944 -20.289 1.00 0.00 C ATOM 648 O LYS A 42 -7.430 -5.756 -19.446 1.00 0.00 O ATOM 649 CB LYS A 42 -8.165 -2.876 -19.265 1.00 0.00 C ATOM 650 CG LYS A 42 -8.415 -1.400 -19.576 1.00 0.00 C ATOM 651 CD LYS A 42 -7.308 -0.521 -18.989 1.00 0.00 C ATOM 652 CE LYS A 42 -7.831 0.883 -18.678 1.00 0.00 C ATOM 653 NZ LYS A 42 -7.917 1.690 -19.917 1.00 0.00 N ATOM 0 H LYS A 42 -9.911 -3.586 -20.860 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.204 -3.003 -21.135 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -9.045 -3.304 -18.785 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.340 -2.968 -18.558 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.465 -1.255 -20.655 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -9.379 -1.097 -19.169 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.919 -0.978 -18.079 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.478 -0.456 -19.693 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.814 0.816 -18.211 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.171 1.373 -17.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.363 2.563 -19.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.538 1.142 -20.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.911 1.933 -20.105 1.00 0.00 H new ATOM 667 N PRO A 43 -5.938 -5.093 -21.056 1.00 0.00 N ATOM 668 CA PRO A 43 -5.090 -6.266 -20.925 1.00 0.00 C ATOM 669 C PRO A 43 -4.246 -6.194 -19.652 1.00 0.00 C ATOM 670 O PRO A 43 -3.442 -5.277 -19.487 1.00 0.00 O ATOM 671 CB PRO A 43 -4.252 -6.291 -22.193 1.00 0.00 C ATOM 672 CG PRO A 43 -4.328 -4.885 -22.769 1.00 0.00 C ATOM 673 CD PRO A 43 -5.458 -4.153 -22.065 1.00 0.00 C ATOM 0 HA PRO A 43 -5.662 -7.188 -20.824 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -3.221 -6.569 -21.975 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.637 -7.025 -22.901 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.384 -4.361 -22.622 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.508 -4.922 -23.843 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -5.106 -3.228 -21.609 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.250 -3.883 -22.763 1.00 0.00 H new ATOM 681 N ARG A 44 -4.456 -7.171 -18.783 1.00 0.00 N ATOM 682 CA ARG A 44 -3.724 -7.229 -17.529 1.00 0.00 C ATOM 683 C ARG A 44 -2.222 -7.096 -17.785 1.00 0.00 C ATOM 684 O ARG A 44 -1.678 -7.755 -18.671 1.00 0.00 O ATOM 685 CB ARG A 44 -3.995 -8.543 -16.793 1.00 0.00 C ATOM 686 CG ARG A 44 -5.149 -8.388 -15.802 1.00 0.00 C ATOM 687 CD ARG A 44 -4.625 -8.196 -14.376 1.00 0.00 C ATOM 688 NE ARG A 44 -5.436 -7.177 -13.673 1.00 0.00 N ATOM 689 CZ ARG A 44 -5.146 -6.696 -12.456 1.00 0.00 C ATOM 690 NH1 ARG A 44 -4.064 -7.138 -11.801 1.00 0.00 N ATOM 691 NH2 ARG A 44 -5.938 -5.773 -11.895 1.00 0.00 N ATOM 0 H ARG A 44 -5.123 -7.930 -18.922 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.065 -6.401 -16.907 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.233 -9.325 -17.514 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.096 -8.859 -16.264 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -5.764 -7.534 -16.085 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.789 -9.269 -15.843 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.664 -9.141 -13.835 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.580 -7.887 -14.402 1.00 0.00 H new ATOM 0 HE ARG A 44 -6.267 -6.819 -14.144 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.461 -7.841 -12.228 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.844 -6.772 -10.875 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.762 -5.436 -12.394 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.718 -5.407 -10.969 1.00 0.00 H new ATOM 705 N GLY A 45 -1.593 -6.239 -16.994 1.00 0.00 N ATOM 706 CA GLY A 45 -0.163 -6.011 -17.125 1.00 0.00 C ATOM 707 C GLY A 45 0.162 -4.517 -17.059 1.00 0.00 C ATOM 708 O GLY A 45 -0.732 -3.691 -16.883 1.00 0.00 O ATOM 0 H GLY A 45 -2.047 -5.694 -16.261 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.367 -6.538 -16.331 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.189 -6.422 -18.071 1.00 0.00 H new ATOM 712 N PRO A 46 1.478 -4.208 -17.208 1.00 0.00 N ATOM 713 CA PRO A 46 2.472 -5.248 -17.412 1.00 0.00 C ATOM 714 C PRO A 46 2.759 -5.996 -16.109 1.00 0.00 C ATOM 715 O PRO A 46 2.569 -5.452 -15.021 1.00 0.00 O ATOM 716 CB PRO A 46 3.690 -4.525 -17.963 1.00 0.00 C ATOM 717 CG PRO A 46 3.499 -3.060 -17.611 1.00 0.00 C ATOM 718 CD PRO A 46 2.052 -2.867 -17.186 1.00 0.00 C ATOM 0 HA PRO A 46 2.137 -6.020 -18.104 1.00 0.00 H new ATOM 0 HB2 PRO A 46 4.608 -4.916 -17.524 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.770 -4.660 -19.042 1.00 0.00 H new ATOM 0 HG2 PRO A 46 4.175 -2.769 -16.807 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.733 -2.428 -18.468 1.00 0.00 H new ATOM 0 HD2 PRO A 46 1.987 -2.425 -16.192 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.525 -2.199 -17.867 1.00 0.00 H new ATOM 726 N ARG A 47 3.212 -7.232 -16.260 1.00 0.00 N ATOM 727 CA ARG A 47 3.528 -8.060 -15.108 1.00 0.00 C ATOM 728 C ARG A 47 5.017 -7.959 -14.774 1.00 0.00 C ATOM 729 O ARG A 47 5.802 -8.827 -15.155 1.00 0.00 O ATOM 730 CB ARG A 47 3.168 -9.524 -15.367 1.00 0.00 C ATOM 731 CG ARG A 47 1.675 -9.770 -15.142 1.00 0.00 C ATOM 732 CD ARG A 47 1.418 -10.350 -13.750 1.00 0.00 C ATOM 733 NE ARG A 47 0.100 -9.901 -13.250 1.00 0.00 N ATOM 734 CZ ARG A 47 -0.247 -9.885 -11.955 1.00 0.00 C ATOM 735 NH1 ARG A 47 0.625 -10.292 -11.023 1.00 0.00 N ATOM 736 NH2 ARG A 47 -1.466 -9.461 -11.592 1.00 0.00 N ATOM 0 H ARG A 47 3.368 -7.680 -17.163 1.00 0.00 H new ATOM 0 HA ARG A 47 2.938 -7.696 -14.266 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.434 -9.792 -16.389 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.750 -10.167 -14.707 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.127 -8.835 -15.257 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.297 -10.455 -15.901 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.450 -11.439 -13.789 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.204 -10.033 -13.064 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.588 -9.584 -13.933 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.553 -10.614 -11.299 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.361 -10.280 -10.038 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.130 -9.150 -12.301 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.729 -9.449 -10.607 1.00 0.00 H new ATOM 750 N GLY A 48 5.362 -6.894 -14.065 1.00 0.00 N ATOM 751 CA GLY A 48 6.743 -6.669 -13.675 1.00 0.00 C ATOM 752 C GLY A 48 7.441 -5.721 -14.652 1.00 0.00 C ATOM 753 O GLY A 48 6.782 -5.007 -15.407 1.00 0.00 O ATOM 0 H GLY A 48 4.708 -6.177 -13.750 1.00 0.00 H new ATOM 0 HA2 GLY A 48 6.777 -6.250 -12.669 1.00 0.00 H new ATOM 0 HA3 GLY A 48 7.275 -7.620 -13.642 1.00 0.00 H new ATOM 757 N PRO A 49 8.799 -5.745 -14.605 1.00 0.00 N ATOM 758 CA PRO A 49 9.594 -4.896 -15.476 1.00 0.00 C ATOM 759 C PRO A 49 9.600 -5.434 -16.909 1.00 0.00 C ATOM 760 O PRO A 49 9.588 -6.645 -17.120 1.00 0.00 O ATOM 761 CB PRO A 49 10.977 -4.870 -14.846 1.00 0.00 C ATOM 762 CG PRO A 49 11.032 -6.068 -13.911 1.00 0.00 C ATOM 763 CD PRO A 49 9.613 -6.578 -13.723 1.00 0.00 C ATOM 0 HA PRO A 49 9.191 -3.887 -15.561 1.00 0.00 H new ATOM 0 HB2 PRO A 49 11.754 -4.933 -15.608 1.00 0.00 H new ATOM 0 HB3 PRO A 49 11.140 -3.941 -14.300 1.00 0.00 H new ATOM 0 HG2 PRO A 49 11.666 -6.850 -14.329 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.466 -5.784 -12.952 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.533 -7.632 -13.989 1.00 0.00 H new ATOM 0 HD3 PRO A 49 9.293 -6.486 -12.685 1.00 0.00 H new ATOM 771 N ARG A 50 9.619 -4.506 -17.855 1.00 0.00 N ATOM 772 CA ARG A 50 9.627 -4.873 -19.261 1.00 0.00 C ATOM 773 C ARG A 50 10.922 -4.399 -19.925 1.00 0.00 C ATOM 774 O ARG A 50 10.972 -3.306 -20.487 1.00 0.00 O ATOM 775 CB ARG A 50 8.433 -4.262 -19.996 1.00 0.00 C ATOM 776 CG ARG A 50 7.126 -4.939 -19.576 1.00 0.00 C ATOM 777 CD ARG A 50 6.140 -4.996 -20.744 1.00 0.00 C ATOM 778 NE ARG A 50 5.223 -3.835 -20.690 1.00 0.00 N ATOM 779 CZ ARG A 50 4.485 -3.410 -21.725 1.00 0.00 C ATOM 780 NH1 ARG A 50 4.552 -4.049 -22.901 1.00 0.00 N ATOM 781 NH2 ARG A 50 3.681 -2.348 -21.584 1.00 0.00 N ATOM 0 H ARG A 50 9.629 -3.502 -17.676 1.00 0.00 H new ATOM 0 HA ARG A 50 9.559 -5.959 -19.321 1.00 0.00 H new ATOM 0 HB2 ARG A 50 8.378 -3.194 -19.784 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.571 -4.366 -21.072 1.00 0.00 H new ATOM 0 HG2 ARG A 50 7.333 -5.948 -19.220 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.680 -4.393 -18.745 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.683 -4.997 -21.689 1.00 0.00 H new ATOM 0 HD3 ARG A 50 5.569 -5.923 -20.703 1.00 0.00 H new ATOM 0 HE ARG A 50 5.148 -3.326 -19.809 1.00 0.00 H new ATOM 0 HH11 ARG A 50 5.164 -4.858 -23.008 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.991 -3.727 -23.689 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.630 -1.862 -20.689 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.120 -2.025 -22.372 1.00 0.00 H new ATOM 795 N PRO A 51 11.964 -5.268 -19.836 1.00 0.00 N ATOM 796 CA PRO A 51 13.256 -4.950 -20.421 1.00 0.00 C ATOM 797 C PRO A 51 13.219 -5.097 -21.944 1.00 0.00 C ATOM 798 O PRO A 51 13.496 -4.145 -22.670 1.00 0.00 O ATOM 799 CB PRO A 51 14.235 -5.904 -19.756 1.00 0.00 C ATOM 800 CG PRO A 51 13.392 -7.026 -19.172 1.00 0.00 C ATOM 801 CD PRO A 51 11.941 -6.572 -19.178 1.00 0.00 C ATOM 0 HA PRO A 51 13.552 -3.915 -20.251 1.00 0.00 H new ATOM 0 HB2 PRO A 51 14.954 -6.291 -20.478 1.00 0.00 H new ATOM 0 HB3 PRO A 51 14.805 -5.398 -18.977 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.509 -7.937 -19.759 1.00 0.00 H new ATOM 0 HG3 PRO A 51 13.715 -7.257 -18.157 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.308 -7.277 -19.717 1.00 0.00 H new ATOM 0 HD3 PRO A 51 11.545 -6.498 -18.165 1.00 0.00 H new ATOM 809 N GLN A 52 12.873 -6.299 -22.382 1.00 0.00 N ATOM 810 CA GLN A 52 12.797 -6.584 -23.805 1.00 0.00 C ATOM 811 C GLN A 52 12.281 -8.006 -24.035 1.00 0.00 C ATOM 812 O GLN A 52 11.321 -8.210 -24.776 1.00 0.00 O ATOM 813 CB GLN A 52 14.153 -6.375 -24.480 1.00 0.00 C ATOM 814 CG GLN A 52 13.993 -5.670 -25.827 1.00 0.00 C ATOM 815 CD GLN A 52 15.340 -5.160 -26.343 1.00 0.00 C ATOM 816 OE1 GLN A 52 15.993 -4.329 -25.734 1.00 0.00 O ATOM 817 NE2 GLN A 52 15.718 -5.703 -27.497 1.00 0.00 N ATOM 0 H GLN A 52 12.642 -7.087 -21.776 1.00 0.00 H new ATOM 0 HA GLN A 52 12.093 -5.886 -24.258 1.00 0.00 H new ATOM 0 HB2 GLN A 52 14.799 -5.784 -23.831 1.00 0.00 H new ATOM 0 HB3 GLN A 52 14.643 -7.338 -24.626 1.00 0.00 H new ATOM 0 HG2 GLN A 52 13.559 -6.358 -26.552 1.00 0.00 H new ATOM 0 HG3 GLN A 52 13.299 -4.835 -25.724 1.00 0.00 H new ATOM 0 HE21 GLN A 52 15.123 -6.394 -27.955 1.00 0.00 H new ATOM 0 HE22 GLN A 52 16.603 -5.429 -27.924 1.00 0.00 H new ATOM 826 N THR A 53 12.944 -8.953 -23.386 1.00 0.00 N ATOM 827 CA THR A 53 12.566 -10.350 -23.511 1.00 0.00 C ATOM 828 C THR A 53 12.036 -10.636 -24.917 1.00 0.00 C ATOM 829 O THR A 53 10.977 -11.242 -25.075 1.00 0.00 O ATOM 830 CB THR A 53 11.555 -10.667 -22.406 1.00 0.00 C ATOM 831 OG1 THR A 53 11.573 -12.089 -22.316 1.00 0.00 O ATOM 832 CG2 THR A 53 10.118 -10.337 -22.814 1.00 0.00 C ATOM 0 H THR A 53 13.740 -8.780 -22.772 1.00 0.00 H new ATOM 0 HA THR A 53 13.428 -11.005 -23.382 1.00 0.00 H new ATOM 0 HB THR A 53 11.814 -10.108 -21.507 1.00 0.00 H new ATOM 0 HG1 THR A 53 10.946 -12.381 -21.621 1.00 0.00 H new ATOM 0 HG21 THR A 53 9.442 -10.581 -21.994 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.040 -9.275 -23.045 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.847 -10.920 -23.694 1.00 0.00 H new ATOM 840 N SER A 54 12.797 -10.185 -25.904 1.00 0.00 N ATOM 841 CA SER A 54 12.419 -10.386 -27.293 1.00 0.00 C ATOM 842 C SER A 54 11.049 -9.756 -27.557 1.00 0.00 C ATOM 843 O SER A 54 10.284 -9.512 -26.626 1.00 0.00 O ATOM 844 CB SER A 54 12.397 -11.873 -27.649 1.00 0.00 C ATOM 845 OG SER A 54 13.645 -12.314 -28.174 1.00 0.00 O ATOM 0 H SER A 54 13.674 -9.681 -25.769 1.00 0.00 H new ATOM 0 HA SER A 54 13.164 -9.901 -27.924 1.00 0.00 H new ATOM 0 HB2 SER A 54 12.151 -12.455 -26.761 1.00 0.00 H new ATOM 0 HB3 SER A 54 11.610 -12.059 -28.380 1.00 0.00 H new ATOM 0 HG SER A 54 13.591 -13.269 -28.387 1.00 0.00 H new ATOM 851 N LEU A 55 10.782 -9.512 -28.832 1.00 0.00 N ATOM 852 CA LEU A 55 9.518 -8.916 -29.231 1.00 0.00 C ATOM 853 C LEU A 55 9.438 -7.488 -28.685 1.00 0.00 C ATOM 854 O LEU A 55 9.326 -7.287 -27.477 1.00 0.00 O ATOM 855 CB LEU A 55 8.348 -9.804 -28.802 1.00 0.00 C ATOM 856 CG LEU A 55 8.025 -10.979 -29.728 1.00 0.00 C ATOM 857 CD1 LEU A 55 9.137 -12.028 -29.690 1.00 0.00 C ATOM 858 CD2 LEU A 55 6.658 -11.580 -29.393 1.00 0.00 C ATOM 0 H LEU A 55 11.419 -9.716 -29.602 1.00 0.00 H new ATOM 0 HA LEU A 55 9.455 -8.847 -30.317 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.562 -10.198 -27.808 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.458 -9.181 -28.713 1.00 0.00 H new ATOM 0 HG LEU A 55 7.971 -10.604 -30.750 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.883 -12.852 -30.357 1.00 0.00 H new ATOM 0 HD12 LEU A 55 10.075 -11.576 -30.013 1.00 0.00 H new ATOM 0 HD13 LEU A 55 9.247 -12.405 -28.673 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.452 -12.413 -30.065 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.660 -11.937 -28.363 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.887 -10.819 -29.512 1.00 0.00 H new ATOM 870 N LEU A 56 9.498 -6.535 -29.602 1.00 0.00 N ATOM 871 CA LEU A 56 9.433 -5.132 -29.229 1.00 0.00 C ATOM 872 C LEU A 56 10.525 -4.832 -28.199 1.00 0.00 C ATOM 873 O LEU A 56 11.177 -3.792 -28.267 1.00 0.00 O ATOM 874 CB LEU A 56 8.025 -4.767 -28.756 1.00 0.00 C ATOM 875 CG LEU A 56 6.992 -4.518 -29.856 1.00 0.00 C ATOM 876 CD1 LEU A 56 7.403 -3.338 -30.739 1.00 0.00 C ATOM 877 CD2 LEU A 56 6.746 -5.787 -30.675 1.00 0.00 C ATOM 0 H LEU A 56 9.591 -6.706 -30.603 1.00 0.00 H new ATOM 0 HA LEU A 56 9.627 -4.499 -30.095 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.659 -5.570 -28.116 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.091 -3.872 -28.138 1.00 0.00 H new ATOM 0 HG LEU A 56 6.047 -4.252 -29.382 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.651 -3.183 -31.513 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.486 -2.439 -30.129 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.365 -3.550 -31.206 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.008 -5.582 -31.450 1.00 0.00 H new ATOM 0 HD22 LEU A 56 7.679 -6.108 -31.138 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.376 -6.576 -30.021 1.00 0.00 H new TER 889 LEU A 56 ATOM 890 P U B 517 -2.277 -1.478 -28.772 1.00 0.00 P ATOM 891 OP1 U B 517 -2.509 -0.795 -27.480 1.00 0.00 O ATOM 892 OP2 U B 517 -2.764 -2.869 -28.906 1.00 0.00 O ATOM 893 O5' U B 517 -2.960 -0.603 -29.924 1.00 0.00 O ATOM 894 C5' U B 517 -2.388 0.647 -30.305 1.00 0.00 C ATOM 895 C4' U B 517 -3.448 1.544 -30.901 1.00 0.00 C ATOM 896 O4' U B 517 -4.414 0.619 -31.434 1.00 0.00 O ATOM 897 C3' U B 517 -4.462 2.079 -29.894 1.00 0.00 C ATOM 898 O3' U B 517 -3.950 3.264 -29.288 1.00 0.00 O ATOM 899 C2' U B 517 -5.705 2.359 -30.692 1.00 0.00 C ATOM 900 O2' U B 517 -5.441 3.631 -31.240 1.00 0.00 O ATOM 901 C1' U B 517 -5.674 1.200 -31.683 1.00 0.00 C ATOM 902 N1 U B 517 -6.763 0.221 -31.479 1.00 0.00 N ATOM 903 C2 U B 517 -7.980 0.558 -31.987 1.00 0.00 C ATOM 904 O2 U B 517 -8.201 1.601 -32.582 1.00 0.00 O ATOM 905 N3 U B 517 -8.996 -0.352 -31.797 1.00 0.00 N ATOM 906 C4 U B 517 -8.834 -1.545 -31.139 1.00 0.00 C ATOM 907 O4 U B 517 -9.813 -2.282 -31.029 1.00 0.00 O ATOM 908 C5 U B 517 -7.543 -1.848 -30.629 1.00 0.00 C ATOM 909 C6 U B 517 -6.574 -0.952 -30.824 1.00 0.00 C ATOM 0 H5' U B 517 -1.589 0.485 -31.029 1.00 0.00 H new ATOM 0 H5'' U B 517 -1.938 1.129 -29.437 1.00 0.00 H new ATOM 0 H4' U B 517 -2.911 2.294 -31.481 1.00 0.00 H new ATOM 0 H3' U B 517 -4.669 1.376 -29.087 1.00 0.00 H new ATOM 0 H2' U B 517 -6.683 2.401 -30.212 1.00 0.00 H new ATOM 0 HO2' U B 517 -5.896 4.317 -30.709 1.00 0.00 H new ATOM 0 H1' U B 517 -5.820 1.535 -32.710 1.00 0.00 H new ATOM 0 H3 U B 517 -9.920 -0.127 -32.166 1.00 0.00 H new ATOM 0 H5 U B 517 -7.353 -2.771 -30.102 1.00 0.00 H new ATOM 0 H6 U B 517 -5.588 -1.172 -30.441 1.00 0.00 H new ATOM 920 P U B 518 -3.852 3.371 -27.695 1.00 0.00 P ATOM 921 OP1 U B 518 -2.502 3.838 -27.310 1.00 0.00 O ATOM 922 OP2 U B 518 -4.342 2.117 -27.081 1.00 0.00 O ATOM 923 O5' U B 518 -4.896 4.533 -27.348 1.00 0.00 O ATOM 924 C5' U B 518 -5.189 5.540 -28.314 1.00 0.00 C ATOM 925 C4' U B 518 -6.676 5.580 -28.588 1.00 0.00 C ATOM 926 O4' U B 518 -6.971 4.248 -29.047 1.00 0.00 O ATOM 927 C3' U B 518 -7.550 5.386 -27.352 1.00 0.00 C ATOM 928 O3' U B 518 -7.741 6.642 -26.704 1.00 0.00 O ATOM 929 C2' U B 518 -8.847 4.827 -27.866 1.00 0.00 C ATOM 930 O2' U B 518 -9.538 5.984 -28.283 1.00 0.00 O ATOM 931 C1' U B 518 -8.343 3.926 -28.989 1.00 0.00 C ATOM 932 N1 U B 518 -8.541 2.486 -28.722 1.00 0.00 N ATOM 933 C2 U B 518 -9.585 1.892 -29.362 1.00 0.00 C ATOM 934 O2 U B 518 -10.337 2.481 -30.122 1.00 0.00 O ATOM 935 N3 U B 518 -9.772 0.550 -29.116 1.00 0.00 N ATOM 936 C4 U B 518 -8.973 -0.186 -28.276 1.00 0.00 C ATOM 937 O4 U B 518 -9.234 -1.379 -28.131 1.00 0.00 O ATOM 938 C5 U B 518 -7.898 0.483 -27.633 1.00 0.00 C ATOM 939 C6 U B 518 -7.735 1.783 -27.888 1.00 0.00 C ATOM 0 H5' U B 518 -4.646 5.338 -29.238 1.00 0.00 H new ATOM 0 H5'' U B 518 -4.852 6.511 -27.952 1.00 0.00 H new ATOM 0 H4' U B 518 -6.850 6.493 -29.157 1.00 0.00 H new ATOM 0 H3' U B 518 -7.103 4.716 -26.617 1.00 0.00 H new ATOM 0 H2' U B 518 -9.511 4.259 -27.215 1.00 0.00 H new ATOM 0 HO2' U B 518 -9.269 6.744 -27.726 1.00 0.00 H new ATOM 0 H1' U B 518 -8.884 4.091 -29.921 1.00 0.00 H new ATOM 0 H3 U B 518 -10.546 0.077 -29.583 1.00 0.00 H new ATOM 0 H5 U B 518 -7.235 -0.042 -26.961 1.00 0.00 H new ATOM 0 H6 U B 518 -6.920 2.302 -27.406 1.00 0.00 H new ATOM 950 P U B 519 -6.706 7.132 -25.586 1.00 0.00 P ATOM 951 OP1 U B 519 -6.650 8.610 -25.572 1.00 0.00 O ATOM 952 OP2 U B 519 -5.428 6.401 -25.736 1.00 0.00 O ATOM 953 O5' U B 519 -7.394 6.650 -24.224 1.00 0.00 O ATOM 954 C5' U B 519 -8.402 7.452 -23.612 1.00 0.00 C ATOM 955 C4' U B 519 -8.792 6.866 -22.274 1.00 0.00 C ATOM 956 O4' U B 519 -8.324 5.508 -22.182 1.00 0.00 O ATOM 957 C3' U B 519 -7.984 7.397 -21.094 1.00 0.00 C ATOM 958 O3' U B 519 -8.577 8.604 -20.618 1.00 0.00 O ATOM 959 C2' U B 519 -8.036 6.311 -20.056 1.00 0.00 C ATOM 960 O2' U B 519 -9.324 6.470 -19.505 1.00 0.00 O ATOM 961 C1' U B 519 -7.844 5.074 -20.929 1.00 0.00 C ATOM 962 N1 U B 519 -6.437 4.629 -21.020 1.00 0.00 N ATOM 963 C2 U B 519 -5.905 4.076 -19.896 1.00 0.00 C ATOM 964 O2 U B 519 -6.522 3.939 -18.852 1.00 0.00 O ATOM 965 N3 U B 519 -4.595 3.661 -19.979 1.00 0.00 N ATOM 966 C4 U B 519 -3.832 3.779 -21.113 1.00 0.00 C ATOM 967 O4 U B 519 -2.671 3.374 -21.072 1.00 0.00 O ATOM 968 C5 U B 519 -4.436 4.363 -22.257 1.00 0.00 C ATOM 969 C6 U B 519 -5.706 4.759 -22.155 1.00 0.00 C ATOM 0 H5' U B 519 -9.276 7.509 -24.261 1.00 0.00 H new ATOM 0 H5'' U B 519 -8.036 8.470 -23.479 1.00 0.00 H new ATOM 0 H4' U B 519 -9.863 7.066 -22.228 1.00 0.00 H new ATOM 0 H3' U B 519 -6.953 7.633 -21.358 1.00 0.00 H new ATOM 0 H2' U B 519 -7.324 6.288 -19.231 1.00 0.00 H new ATOM 0 HO2' U B 519 -9.688 7.340 -19.770 1.00 0.00 H new ATOM 0 H1' U B 519 -8.361 4.203 -20.526 1.00 0.00 H new ATOM 0 H3 U B 519 -4.168 3.243 -19.152 1.00 0.00 H new ATOM 0 H5 U B 519 -3.886 4.483 -23.179 1.00 0.00 H new ATOM 0 H6 U B 519 -6.175 5.205 -23.019 1.00 0.00 H new ATOM 980 P U B 520 -7.904 9.403 -19.407 1.00 0.00 P ATOM 981 OP1 U B 520 -6.473 9.035 -19.301 1.00 0.00 O ATOM 982 OP2 U B 520 -8.737 9.261 -18.192 1.00 0.00 O ATOM 983 O5' U B 520 -7.988 10.926 -19.889 1.00 0.00 O ATOM 984 C5' U B 520 -6.822 11.584 -20.381 1.00 0.00 C ATOM 985 C4' U B 520 -7.199 12.575 -21.458 1.00 0.00 C ATOM 986 O4' U B 520 -7.610 11.845 -22.655 1.00 0.00 O ATOM 987 C3' U B 520 -8.597 13.168 -21.307 1.00 0.00 C ATOM 988 O3' U B 520 -8.568 14.206 -20.329 1.00 0.00 O ATOM 989 C2' U B 520 -8.952 13.702 -22.666 1.00 0.00 C ATOM 990 O2' U B 520 -8.267 14.933 -22.705 1.00 0.00 O ATOM 991 C1' U B 520 -8.379 12.605 -23.560 1.00 0.00 C ATOM 992 N1 U B 520 -9.414 11.775 -24.210 1.00 0.00 N ATOM 993 C2 U B 520 -9.107 11.284 -25.442 1.00 0.00 C ATOM 994 O2 U B 520 -8.049 11.497 -26.012 1.00 0.00 O ATOM 995 N3 U B 520 -10.071 10.510 -26.050 1.00 0.00 N ATOM 996 C4 U B 520 -11.285 10.223 -25.480 1.00 0.00 C ATOM 997 O4 U B 520 -12.070 9.519 -26.116 1.00 0.00 O ATOM 998 C5 U B 520 -11.553 10.759 -24.193 1.00 0.00 C ATOM 999 C6 U B 520 -10.606 11.507 -23.623 1.00 0.00 C ATOM 0 H5' U B 520 -6.122 10.850 -20.781 1.00 0.00 H new ATOM 0 H5'' U B 520 -6.314 12.098 -19.565 1.00 0.00 H new ATOM 0 H4' U B 520 -6.352 13.260 -21.451 1.00 0.00 H new ATOM 0 H3' U B 520 -9.334 12.437 -20.973 1.00 0.00 H new ATOM 0 H2' U B 520 -9.990 13.891 -22.941 1.00 0.00 H new ATOM 0 HO2' U B 520 -8.911 15.668 -22.631 1.00 0.00 H new ATOM 0 H1' U B 520 -7.814 13.012 -24.399 1.00 0.00 H new ATOM 0 H3 U B 520 -9.871 10.129 -26.975 1.00 0.00 H new ATOM 0 H5 U B 520 -12.491 10.568 -23.692 1.00 0.00 H new ATOM 0 H6 U B 520 -10.799 11.920 -22.644 1.00 0.00 H new ATOM 1010 P G B 521 -9.812 15.202 -20.182 1.00 0.00 P ATOM 1011 OP1 G B 521 -10.295 15.597 -21.524 1.00 0.00 O ATOM 1012 OP2 G B 521 -9.475 16.284 -19.231 1.00 0.00 O ATOM 1013 O5' G B 521 -10.933 14.281 -19.506 1.00 0.00 O ATOM 1014 C5' G B 521 -12.115 14.872 -18.970 1.00 0.00 C ATOM 1015 C4' G B 521 -13.030 13.801 -18.424 1.00 0.00 C ATOM 1016 O4' G B 521 -12.865 12.571 -19.149 1.00 0.00 O ATOM 1017 C3' G B 521 -12.535 13.146 -17.137 1.00 0.00 C ATOM 1018 O3' G B 521 -12.783 14.017 -16.036 1.00 0.00 O ATOM 1019 C2' G B 521 -13.317 11.868 -17.016 1.00 0.00 C ATOM 1020 O2' G B 521 -14.433 12.259 -16.248 1.00 0.00 O ATOM 1021 C1' G B 521 -13.604 11.570 -18.485 1.00 0.00 C ATOM 1022 N9 G B 521 -13.176 10.220 -18.908 1.00 0.00 N ATOM 1023 C8 G B 521 -11.933 9.698 -18.845 1.00 0.00 C ATOM 1024 N7 G B 521 -11.877 8.453 -19.306 1.00 0.00 N ATOM 1025 C5 G B 521 -13.166 8.180 -19.679 1.00 0.00 C ATOM 1026 C6 G B 521 -13.753 7.027 -20.239 1.00 0.00 C ATOM 1027 O6 G B 521 -13.159 5.985 -20.511 1.00 0.00 O ATOM 1028 N1 G B 521 -15.088 7.070 -20.503 1.00 0.00 N ATOM 1029 C2 G B 521 -15.767 8.203 -20.215 1.00 0.00 C ATOM 1030 N2 G B 521 -17.055 8.087 -20.528 1.00 0.00 N ATOM 1031 N3 G B 521 -15.312 9.353 -19.684 1.00 0.00 N ATOM 1032 C4 G B 521 -13.976 9.246 -19.445 1.00 0.00 C ATOM 0 H5' G B 521 -12.630 15.441 -19.744 1.00 0.00 H new ATOM 0 H5'' G B 521 -11.853 15.575 -18.179 1.00 0.00 H new ATOM 0 H4' G B 521 -13.984 14.327 -18.403 1.00 0.00 H new ATOM 0 H3' G B 521 -11.463 12.946 -17.147 1.00 0.00 H new ATOM 0 H2' G B 521 -12.883 10.986 -16.545 1.00 0.00 H new ATOM 0 HO2' G B 521 -14.275 13.149 -15.871 1.00 0.00 H new ATOM 0 H1' G B 521 -14.672 11.579 -18.704 1.00 0.00 H new ATOM 0 H8 G B 521 -11.077 10.234 -18.462 1.00 0.00 H new ATOM 0 H1 G B 521 -15.565 6.265 -20.909 1.00 0.00 H new ATOM 0 H21 G B 521 -17.692 8.867 -20.365 1.00 0.00 H new ATOM 0 H22 G B 521 -17.406 7.218 -20.931 1.00 0.00 H new ATOM 1044 P C B 522 -11.630 14.295 -14.960 1.00 0.00 P ATOM 1045 OP1 C B 522 -10.834 15.470 -15.376 1.00 0.00 O ATOM 1046 OP2 C B 522 -10.899 13.040 -14.679 1.00 0.00 O ATOM 1047 O5' C B 522 -12.452 14.692 -13.647 1.00 0.00 O ATOM 1048 C5' C B 522 -12.126 15.884 -12.935 1.00 0.00 C ATOM 1049 C4' C B 522 -12.031 15.595 -11.454 1.00 0.00 C ATOM 1050 O4' C B 522 -13.244 14.874 -11.146 1.00 0.00 O ATOM 1051 C3' C B 522 -11.166 14.390 -11.101 1.00 0.00 C ATOM 1052 O3' C B 522 -9.801 14.794 -11.011 1.00 0.00 O ATOM 1053 C2' C B 522 -11.685 13.902 -9.776 1.00 0.00 C ATOM 1054 O2' C B 522 -11.074 14.784 -8.861 1.00 0.00 O ATOM 1055 C1' C B 522 -13.186 14.098 -9.971 1.00 0.00 C ATOM 1056 N1 C B 522 -13.929 12.830 -10.132 1.00 0.00 N ATOM 1057 C2 C B 522 -14.795 12.452 -9.107 1.00 0.00 C ATOM 1058 O2 C B 522 -14.899 13.187 -8.120 1.00 0.00 O ATOM 1059 N3 C B 522 -15.482 11.302 -9.230 1.00 0.00 N ATOM 1060 C4 C B 522 -15.357 10.530 -10.291 1.00 0.00 C ATOM 1061 N4 C B 522 -16.044 9.399 -10.394 1.00 0.00 N ATOM 1062 C5 C B 522 -14.467 10.898 -11.367 1.00 0.00 C ATOM 1063 C6 C B 522 -13.789 12.047 -11.229 1.00 0.00 C ATOM 0 H5' C B 522 -12.885 16.645 -13.117 1.00 0.00 H new ATOM 0 H5'' C B 522 -11.179 16.285 -13.297 1.00 0.00 H new ATOM 0 H4' C B 522 -11.742 16.540 -10.994 1.00 0.00 H new ATOM 0 H3' C B 522 -11.213 13.601 -11.851 1.00 0.00 H new ATOM 0 H2' C B 522 -11.491 12.884 -9.437 1.00 0.00 H new ATOM 0 HO2' C B 522 -10.328 15.245 -9.299 1.00 0.00 H new ATOM 0 H1' C B 522 -13.654 14.562 -9.103 1.00 0.00 H new ATOM 0 H41 C B 522 -15.938 8.811 -11.221 1.00 0.00 H new ATOM 0 H42 C B 522 -16.678 9.118 -9.646 1.00 0.00 H new ATOM 0 H5 C B 522 -14.353 10.276 -12.243 1.00 0.00 H new ATOM 0 H6 C B 522 -13.114 12.356 -12.013 1.00 0.00 H new ATOM 1075 P U B 523 -8.634 13.735 -11.282 1.00 0.00 P ATOM 1076 OP1 U B 523 -9.187 12.546 -11.966 1.00 0.00 O ATOM 1077 OP2 U B 523 -7.865 13.511 -10.037 1.00 0.00 O ATOM 1078 O5' U B 523 -7.684 14.503 -12.316 1.00 0.00 O ATOM 1079 C5' U B 523 -7.654 14.107 -13.686 1.00 0.00 C ATOM 1080 C4' U B 523 -6.339 14.506 -14.315 1.00 0.00 C ATOM 1081 O4' U B 523 -5.817 15.664 -13.623 1.00 0.00 O ATOM 1082 C3' U B 523 -5.149 13.655 -13.879 1.00 0.00 C ATOM 1083 O3' U B 523 -5.147 12.426 -14.622 1.00 0.00 O ATOM 1084 C2' U B 523 -3.934 14.487 -14.182 1.00 0.00 C ATOM 1085 O2' U B 523 -3.752 14.279 -15.565 1.00 0.00 O ATOM 1086 C1' U B 523 -4.434 15.874 -13.788 1.00 0.00 C ATOM 1087 N1 U B 523 -3.820 16.390 -12.546 1.00 0.00 N ATOM 1088 C2 U B 523 -2.552 16.874 -12.656 1.00 0.00 C ATOM 1089 O2 U B 523 -1.924 16.896 -13.702 1.00 0.00 O ATOM 1090 N3 U B 523 -1.979 17.355 -11.501 1.00 0.00 N ATOM 1091 C4 U B 523 -2.615 17.368 -10.285 1.00 0.00 C ATOM 1092 O4 U B 523 -2.005 17.823 -9.318 1.00 0.00 O ATOM 1093 C5 U B 523 -3.937 16.852 -10.227 1.00 0.00 C ATOM 1094 C6 U B 523 -4.474 16.389 -11.358 1.00 0.00 C ATOM 0 H5' U B 523 -8.479 14.572 -14.225 1.00 0.00 H new ATOM 0 H5'' U B 523 -7.790 13.028 -13.764 1.00 0.00 H new ATOM 0 H4' U B 523 -6.582 14.525 -15.377 1.00 0.00 H new ATOM 0 H3' U B 523 -5.181 13.387 -12.823 1.00 0.00 H new ATOM 0 H2' U B 523 -2.982 14.290 -13.689 1.00 0.00 H new ATOM 0 HO2' U B 523 -4.265 13.493 -15.848 1.00 0.00 H new ATOM 0 HO3' U B 523 -4.383 11.878 -14.346 1.00 0.00 H new ATOM 0 H1' U B 523 -4.180 16.629 -14.532 1.00 0.00 H new ATOM 0 H3 U B 523 -1.029 17.722 -11.552 1.00 0.00 H new ATOM 0 H5 U B 523 -4.489 16.835 -9.299 1.00 0.00 H new ATOM 0 H6 U B 523 -5.479 15.994 -11.325 1.00 0.00 H new TER 1105 U B 523 HETATM 1106 ZN ZN A 57 -14.019 -0.264 -23.020 1.00 0.00 ZN