USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 516 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 34 HIS HE2 : A 34 HIS NE2 : A 57 ZNZN :(H bumps) USER MOD Set 1.1: A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: B 518 U O2' : rot -24:sc= 0.543 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 11:sc= -0.513! USER MOD Single : A 5 SER OG : rot 22:sc= 0.334 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= -0.215 K(o=-0.21,f=-2.4!) USER MOD Single : A 12 GLN : amide:sc= -0.683 X(o=-0.68,f=-0.58) USER MOD Single : A 19 SER OG : rot 13:sc= 1.05 USER MOD Single : A 20 GLN : amide:sc= -0.11 K(o=-0.11,f=-1.3!) USER MOD Single : A 25 GLN : amide:sc= -2.19 K(o=-2.2,f=-6.6!) USER MOD Single : A 28 TYR OH : rot 30:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ -179:sc= 0.572 (180deg=0.56) USER MOD Single : A 52 GLN : amide:sc= -0.408 X(o=-0.41,f=0) USER MOD Single : A 53 THR OG1 : rot 46:sc= -0.345 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : B 517 U O2' : rot -89:sc= 0.796 USER MOD Single : B 519 U O2' : rot -85:sc= 0.717 USER MOD Single : B 520 U O2' : rot -17:sc= 0.435 USER MOD Single : B 521 G O2' : rot -26:sc= 0.997 USER MOD Single : B 522 C O2' : rot -14:sc= 0.44 USER MOD Single : B 523 U O2' : rot -15:sc= 0.605 USER MOD Single : B 523 U O3' : rot 180:sc= 0.302 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -49.048 21.334 -58.639 1.00 0.00 N ATOM 2 CA ALA A 1 -48.609 22.481 -57.864 1.00 0.00 C ATOM 3 C ALA A 1 -47.612 22.020 -56.798 1.00 0.00 C ATOM 4 O ALA A 1 -46.439 22.384 -56.842 1.00 0.00 O ATOM 5 CB ALA A 1 -49.825 23.186 -57.260 1.00 0.00 C ATOM 0 H1 ALA A 1 -49.726 21.644 -59.364 1.00 0.00 H new ATOM 0 H2 ALA A 1 -48.227 20.891 -59.099 1.00 0.00 H new ATOM 0 H3 ALA A 1 -49.506 20.644 -58.009 1.00 0.00 H new ATOM 0 HA ALA A 1 -48.099 23.202 -58.502 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -49.495 24.047 -56.678 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -50.486 23.520 -58.060 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -50.362 22.494 -56.611 1.00 0.00 H new ATOM 11 N THR A 2 -48.118 21.226 -55.865 1.00 0.00 N ATOM 12 CA THR A 2 -47.287 20.712 -54.790 1.00 0.00 C ATOM 13 C THR A 2 -46.442 21.835 -54.185 1.00 0.00 C ATOM 14 O THR A 2 -46.625 23.004 -54.522 1.00 0.00 O ATOM 15 CB THR A 2 -46.453 19.557 -55.348 1.00 0.00 C ATOM 16 OG1 THR A 2 -45.657 20.162 -56.363 1.00 0.00 O ATOM 17 CG2 THR A 2 -47.303 18.532 -56.102 1.00 0.00 C ATOM 0 H THR A 2 -49.092 20.927 -55.832 1.00 0.00 H new ATOM 0 HA THR A 2 -47.894 20.327 -53.970 1.00 0.00 H new ATOM 0 HB THR A 2 -45.927 19.062 -54.532 1.00 0.00 H new ATOM 0 HG1 THR A 2 -45.728 21.137 -56.297 1.00 0.00 H new ATOM 0 HG21 THR A 2 -46.663 17.734 -56.477 1.00 0.00 H new ATOM 0 HG22 THR A 2 -48.049 18.112 -55.428 1.00 0.00 H new ATOM 0 HG23 THR A 2 -47.803 19.019 -56.939 1.00 0.00 H new ATOM 25 N VAL A 3 -45.536 21.441 -53.303 1.00 0.00 N ATOM 26 CA VAL A 3 -44.662 22.399 -52.647 1.00 0.00 C ATOM 27 C VAL A 3 -43.264 21.797 -52.510 1.00 0.00 C ATOM 28 O VAL A 3 -43.120 20.592 -52.304 1.00 0.00 O ATOM 29 CB VAL A 3 -45.265 22.825 -51.307 1.00 0.00 C ATOM 30 CG1 VAL A 3 -44.250 23.613 -50.476 1.00 0.00 C ATOM 31 CG2 VAL A 3 -46.548 23.631 -51.514 1.00 0.00 C ATOM 0 H VAL A 3 -45.388 20.470 -53.027 1.00 0.00 H new ATOM 0 HA VAL A 3 -44.568 23.304 -53.247 1.00 0.00 H new ATOM 0 HB VAL A 3 -45.523 21.922 -50.753 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -44.703 23.904 -49.528 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -43.376 22.991 -50.284 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -43.947 24.506 -51.023 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -46.956 23.921 -50.546 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -46.326 24.525 -52.097 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -47.278 23.022 -52.047 1.00 0.00 H new ATOM 41 N VAL A 4 -42.267 22.662 -52.629 1.00 0.00 N ATOM 42 CA VAL A 4 -40.884 22.229 -52.521 1.00 0.00 C ATOM 43 C VAL A 4 -40.421 22.375 -51.069 1.00 0.00 C ATOM 44 O VAL A 4 -41.118 22.968 -50.248 1.00 0.00 O ATOM 45 CB VAL A 4 -40.013 23.010 -53.507 1.00 0.00 C ATOM 46 CG1 VAL A 4 -40.445 22.744 -54.950 1.00 0.00 C ATOM 47 CG2 VAL A 4 -40.037 24.507 -53.195 1.00 0.00 C ATOM 0 H VAL A 4 -42.389 23.660 -52.799 1.00 0.00 H new ATOM 0 HA VAL A 4 -40.791 21.176 -52.788 1.00 0.00 H new ATOM 0 HB VAL A 4 -38.986 22.661 -53.395 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -39.810 23.311 -55.630 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -40.351 21.680 -55.168 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -41.483 23.051 -55.082 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -39.410 25.038 -53.911 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -41.060 24.877 -53.265 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -39.658 24.675 -52.187 1.00 0.00 H new ATOM 57 N SER A 5 -39.248 21.822 -50.798 1.00 0.00 N ATOM 58 CA SER A 5 -38.684 21.883 -49.460 1.00 0.00 C ATOM 59 C SER A 5 -37.309 21.211 -49.441 1.00 0.00 C ATOM 60 O SER A 5 -37.186 20.031 -49.768 1.00 0.00 O ATOM 61 CB SER A 5 -39.612 21.221 -48.441 1.00 0.00 C ATOM 62 OG SER A 5 -39.651 19.805 -48.594 1.00 0.00 O ATOM 0 H SER A 5 -38.673 21.330 -51.482 1.00 0.00 H new ATOM 0 HA SER A 5 -38.573 22.931 -49.183 1.00 0.00 H new ATOM 0 HB2 SER A 5 -39.278 21.467 -47.433 1.00 0.00 H new ATOM 0 HB3 SER A 5 -40.618 21.625 -48.551 1.00 0.00 H new ATOM 0 HG SER A 5 -38.844 19.504 -49.062 1.00 0.00 H new ATOM 68 N GLY A 6 -36.310 21.991 -49.055 1.00 0.00 N ATOM 69 CA GLY A 6 -34.949 21.486 -48.989 1.00 0.00 C ATOM 70 C GLY A 6 -34.350 21.706 -47.599 1.00 0.00 C ATOM 71 O GLY A 6 -34.910 22.440 -46.786 1.00 0.00 O ATOM 0 H GLY A 6 -36.416 22.969 -48.785 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -34.940 20.423 -49.229 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -34.335 21.987 -49.737 1.00 0.00 H new ATOM 75 N GLN A 7 -33.218 21.056 -47.368 1.00 0.00 N ATOM 76 CA GLN A 7 -32.538 21.171 -46.089 1.00 0.00 C ATOM 77 C GLN A 7 -31.023 21.226 -46.299 1.00 0.00 C ATOM 78 O GLN A 7 -30.471 20.445 -47.072 1.00 0.00 O ATOM 79 CB GLN A 7 -32.921 20.020 -45.158 1.00 0.00 C ATOM 80 CG GLN A 7 -32.891 20.465 -43.695 1.00 0.00 C ATOM 81 CD GLN A 7 -34.221 21.103 -43.288 1.00 0.00 C ATOM 82 OE1 GLN A 7 -35.226 20.437 -43.104 1.00 0.00 O ATOM 83 NE2 GLN A 7 -34.170 22.425 -43.159 1.00 0.00 N ATOM 0 H GLN A 7 -32.755 20.449 -48.044 1.00 0.00 H new ATOM 0 HA GLN A 7 -32.854 22.099 -45.613 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -33.918 19.659 -45.412 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -32.234 19.187 -45.302 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -32.684 19.608 -43.055 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -32.080 21.178 -43.545 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -33.295 22.921 -43.328 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -35.006 22.944 -42.891 1.00 0.00 H new ATOM 92 N LYS A 8 -30.393 22.155 -45.595 1.00 0.00 N ATOM 93 CA LYS A 8 -28.953 22.323 -45.694 1.00 0.00 C ATOM 94 C LYS A 8 -28.264 21.324 -44.762 1.00 0.00 C ATOM 95 O LYS A 8 -28.889 20.787 -43.849 1.00 0.00 O ATOM 96 CB LYS A 8 -28.563 23.778 -45.431 1.00 0.00 C ATOM 97 CG LYS A 8 -27.430 24.218 -46.360 1.00 0.00 C ATOM 98 CD LYS A 8 -26.086 24.203 -45.630 1.00 0.00 C ATOM 99 CE LYS A 8 -25.789 25.565 -44.999 1.00 0.00 C ATOM 100 NZ LYS A 8 -24.332 25.828 -44.993 1.00 0.00 N ATOM 0 H LYS A 8 -30.854 22.800 -44.953 1.00 0.00 H new ATOM 0 HA LYS A 8 -28.613 22.105 -46.706 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -29.430 24.423 -45.578 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -28.252 23.893 -44.393 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -27.386 23.556 -47.225 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -27.632 25.221 -46.737 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -26.097 23.435 -44.857 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -25.292 23.941 -46.329 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -26.304 26.349 -45.554 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -26.173 25.591 -43.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -24.149 26.756 -44.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -23.848 25.089 -44.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -23.974 25.824 -45.970 1.00 0.00 H new ATOM 114 N GLN A 9 -26.984 21.105 -45.025 1.00 0.00 N ATOM 115 CA GLN A 9 -26.202 20.180 -44.221 1.00 0.00 C ATOM 116 C GLN A 9 -25.675 20.881 -42.968 1.00 0.00 C ATOM 117 O GLN A 9 -25.541 22.104 -42.946 1.00 0.00 O ATOM 118 CB GLN A 9 -25.056 19.578 -45.037 1.00 0.00 C ATOM 119 CG GLN A 9 -24.037 20.652 -45.425 1.00 0.00 C ATOM 120 CD GLN A 9 -23.417 20.351 -46.791 1.00 0.00 C ATOM 121 OE1 GLN A 9 -23.765 19.394 -47.462 1.00 0.00 O ATOM 122 NE2 GLN A 9 -22.482 21.220 -47.163 1.00 0.00 N ATOM 0 H GLN A 9 -26.469 21.552 -45.783 1.00 0.00 H new ATOM 0 HA GLN A 9 -26.851 19.361 -43.909 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -24.564 18.797 -44.458 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -25.453 19.107 -45.936 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -24.523 21.628 -45.449 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -23.253 20.705 -44.669 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -22.239 22.000 -46.552 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -22.008 21.107 -48.059 1.00 0.00 H new ATOM 131 N ASP A 10 -25.389 20.077 -41.954 1.00 0.00 N ATOM 132 CA ASP A 10 -24.879 20.605 -40.701 1.00 0.00 C ATOM 133 C ASP A 10 -23.509 21.242 -40.940 1.00 0.00 C ATOM 134 O ASP A 10 -22.626 20.620 -41.531 1.00 0.00 O ATOM 135 CB ASP A 10 -24.709 19.493 -39.664 1.00 0.00 C ATOM 136 CG ASP A 10 -25.901 18.544 -39.531 1.00 0.00 C ATOM 137 OD1 ASP A 10 -27.029 19.066 -39.389 1.00 0.00 O ATOM 138 OD2 ASP A 10 -25.659 17.319 -39.576 1.00 0.00 O ATOM 0 H ASP A 10 -25.501 19.063 -41.975 1.00 0.00 H new ATOM 0 HA ASP A 10 -25.593 21.339 -40.329 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -23.826 18.909 -39.922 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -24.517 19.949 -38.693 1.00 0.00 H new ATOM 143 N ARG A 11 -23.373 22.472 -40.470 1.00 0.00 N ATOM 144 CA ARG A 11 -22.126 23.200 -40.626 1.00 0.00 C ATOM 145 C ARG A 11 -21.174 22.878 -39.472 1.00 0.00 C ATOM 146 O ARG A 11 -21.468 23.181 -38.316 1.00 0.00 O ATOM 147 CB ARG A 11 -22.370 24.710 -40.668 1.00 0.00 C ATOM 148 CG ARG A 11 -21.284 25.419 -41.480 1.00 0.00 C ATOM 149 CD ARG A 11 -20.660 26.564 -40.681 1.00 0.00 C ATOM 150 NE ARG A 11 -19.662 27.276 -41.510 1.00 0.00 N ATOM 151 CZ ARG A 11 -19.975 28.136 -42.489 1.00 0.00 C ATOM 152 NH1 ARG A 11 -21.260 28.395 -42.767 1.00 0.00 N ATOM 153 NH2 ARG A 11 -19.003 28.736 -43.190 1.00 0.00 N ATOM 0 H ARG A 11 -24.107 22.984 -39.980 1.00 0.00 H new ATOM 0 HA ARG A 11 -21.678 22.889 -41.570 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -23.347 24.912 -41.107 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -22.388 25.107 -39.653 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -20.511 24.704 -41.762 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -21.712 25.807 -42.405 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -21.436 27.257 -40.357 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -20.185 26.174 -39.781 1.00 0.00 H new ATOM 0 HE ARG A 11 -18.674 27.101 -41.325 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -21.999 27.938 -42.234 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -21.499 29.049 -43.512 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -18.025 28.538 -42.978 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -19.241 29.391 -43.935 1.00 0.00 H new ATOM 167 N GLN A 12 -20.054 22.264 -39.824 1.00 0.00 N ATOM 168 CA GLN A 12 -19.058 21.896 -38.832 1.00 0.00 C ATOM 169 C GLN A 12 -18.817 23.058 -37.866 1.00 0.00 C ATOM 170 O GLN A 12 -18.944 24.222 -38.245 1.00 0.00 O ATOM 171 CB GLN A 12 -17.754 21.459 -39.500 1.00 0.00 C ATOM 172 CG GLN A 12 -17.089 22.632 -40.226 1.00 0.00 C ATOM 173 CD GLN A 12 -17.589 22.737 -41.668 1.00 0.00 C ATOM 174 OE1 GLN A 12 -17.547 21.792 -42.438 1.00 0.00 O ATOM 175 NE2 GLN A 12 -18.062 23.938 -41.991 1.00 0.00 N ATOM 0 H GLN A 12 -19.814 22.012 -40.783 1.00 0.00 H new ATOM 0 HA GLN A 12 -19.437 21.048 -38.262 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -17.073 21.058 -38.749 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -17.956 20.656 -40.208 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -17.301 23.560 -39.695 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -16.007 22.501 -40.221 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -18.069 24.687 -41.298 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -18.418 24.110 -42.931 1.00 0.00 H new ATOM 184 N GLY A 13 -18.473 22.702 -36.637 1.00 0.00 N ATOM 185 CA GLY A 13 -18.214 23.700 -35.613 1.00 0.00 C ATOM 186 C GLY A 13 -16.846 23.476 -34.963 1.00 0.00 C ATOM 187 O GLY A 13 -15.816 23.593 -35.624 1.00 0.00 O ATOM 0 H GLY A 13 -18.368 21.736 -36.327 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -18.253 24.696 -36.053 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -18.994 23.657 -34.852 1.00 0.00 H new ATOM 191 N GLY A 14 -16.883 23.158 -33.678 1.00 0.00 N ATOM 192 CA GLY A 14 -15.660 22.916 -32.932 1.00 0.00 C ATOM 193 C GLY A 14 -15.416 21.416 -32.748 1.00 0.00 C ATOM 194 O GLY A 14 -16.047 20.596 -33.413 1.00 0.00 O ATOM 0 H GLY A 14 -17.741 23.062 -33.134 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -14.816 23.364 -33.456 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -15.723 23.400 -31.957 1.00 0.00 H new ATOM 198 N GLU A 15 -14.500 21.105 -31.844 1.00 0.00 N ATOM 199 CA GLU A 15 -14.166 19.719 -31.565 1.00 0.00 C ATOM 200 C GLU A 15 -13.479 19.602 -30.202 1.00 0.00 C ATOM 201 O GLU A 15 -12.513 20.312 -29.927 1.00 0.00 O ATOM 202 CB GLU A 15 -13.288 19.132 -32.672 1.00 0.00 C ATOM 203 CG GLU A 15 -14.084 18.163 -33.548 1.00 0.00 C ATOM 204 CD GLU A 15 -13.158 17.156 -34.232 1.00 0.00 C ATOM 205 OE1 GLU A 15 -12.078 17.595 -34.684 1.00 0.00 O ATOM 206 OE2 GLU A 15 -13.551 15.971 -34.289 1.00 0.00 O ATOM 0 H GLU A 15 -13.979 21.789 -31.295 1.00 0.00 H new ATOM 0 HA GLU A 15 -15.091 19.143 -31.536 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -12.886 19.937 -33.287 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.438 18.613 -32.230 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -14.816 17.633 -32.938 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -14.640 18.721 -34.301 1.00 0.00 H new ATOM 213 N ARG A 16 -14.007 18.702 -29.384 1.00 0.00 N ATOM 214 CA ARG A 16 -13.457 18.484 -28.057 1.00 0.00 C ATOM 215 C ARG A 16 -12.746 17.130 -27.994 1.00 0.00 C ATOM 216 O ARG A 16 -12.932 16.286 -28.868 1.00 0.00 O ATOM 217 CB ARG A 16 -14.555 18.527 -26.993 1.00 0.00 C ATOM 218 CG ARG A 16 -14.927 19.970 -26.648 1.00 0.00 C ATOM 219 CD ARG A 16 -15.354 20.090 -25.183 1.00 0.00 C ATOM 220 NE ARG A 16 -15.445 21.516 -24.798 1.00 0.00 N ATOM 221 CZ ARG A 16 -15.509 21.950 -23.531 1.00 0.00 C ATOM 222 NH1 ARG A 16 -15.493 21.070 -22.520 1.00 0.00 N ATOM 223 NH2 ARG A 16 -15.589 23.263 -23.276 1.00 0.00 N ATOM 0 H ARG A 16 -14.809 18.116 -29.615 1.00 0.00 H new ATOM 0 HA ARG A 16 -12.743 19.283 -27.857 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -15.436 17.997 -27.353 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -14.217 18.010 -26.095 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -14.076 20.624 -26.837 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -15.737 20.305 -27.296 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -16.318 19.603 -25.035 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -14.636 19.577 -24.543 1.00 0.00 H new ATOM 0 HE ARG A 16 -15.460 22.212 -25.543 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -15.432 20.071 -22.715 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -15.542 21.400 -21.556 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -15.601 23.932 -24.046 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -15.638 23.593 -22.312 1.00 0.00 H new ATOM 237 N ARG A 17 -11.947 16.967 -26.949 1.00 0.00 N ATOM 238 CA ARG A 17 -11.207 15.731 -26.760 1.00 0.00 C ATOM 239 C ARG A 17 -12.119 14.651 -26.173 1.00 0.00 C ATOM 240 O ARG A 17 -12.016 14.322 -24.992 1.00 0.00 O ATOM 241 CB ARG A 17 -10.012 15.942 -25.828 1.00 0.00 C ATOM 242 CG ARG A 17 -8.887 16.694 -26.542 1.00 0.00 C ATOM 243 CD ARG A 17 -9.128 18.205 -26.503 1.00 0.00 C ATOM 244 NE ARG A 17 -7.968 18.887 -25.884 1.00 0.00 N ATOM 245 CZ ARG A 17 -7.680 20.183 -26.056 1.00 0.00 C ATOM 246 NH1 ARG A 17 -8.465 20.947 -26.828 1.00 0.00 N ATOM 247 NH2 ARG A 17 -6.608 20.717 -25.456 1.00 0.00 N ATOM 0 H ARG A 17 -11.796 17.670 -26.225 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.840 15.411 -27.735 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.327 16.502 -24.948 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -9.645 14.977 -25.478 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -7.932 16.462 -26.070 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.820 16.359 -27.577 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.286 18.583 -27.513 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -10.033 18.423 -25.936 1.00 0.00 H new ATOM 0 HE ARG A 17 -7.350 18.335 -25.290 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -9.282 20.541 -27.284 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -8.246 21.934 -26.959 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -6.011 20.136 -24.868 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -6.389 21.705 -25.587 1.00 0.00 H new ATOM 261 N ARG A 18 -12.991 14.131 -27.024 1.00 0.00 N ATOM 262 CA ARG A 18 -13.921 13.097 -26.604 1.00 0.00 C ATOM 263 C ARG A 18 -14.741 12.604 -27.798 1.00 0.00 C ATOM 264 O ARG A 18 -15.967 12.544 -27.729 1.00 0.00 O ATOM 265 CB ARG A 18 -14.869 13.614 -25.521 1.00 0.00 C ATOM 266 CG ARG A 18 -15.791 14.702 -26.074 1.00 0.00 C ATOM 267 CD ARG A 18 -17.258 14.371 -25.795 1.00 0.00 C ATOM 268 NE ARG A 18 -18.108 15.547 -26.090 1.00 0.00 N ATOM 269 CZ ARG A 18 -18.375 15.989 -27.326 1.00 0.00 C ATOM 270 NH1 ARG A 18 -17.861 15.358 -28.389 1.00 0.00 N ATOM 271 NH2 ARG A 18 -19.156 17.064 -27.497 1.00 0.00 N ATOM 0 H ARG A 18 -13.073 14.407 -28.003 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.337 12.273 -26.195 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -15.466 12.790 -25.132 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -14.291 14.011 -24.686 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -15.539 15.662 -25.623 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -15.635 14.804 -27.148 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -17.571 13.524 -26.406 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -17.381 14.076 -24.753 1.00 0.00 H new ATOM 0 HE ARG A 18 -18.516 16.052 -25.303 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -17.266 14.540 -28.258 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -18.065 15.695 -29.330 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -19.546 17.545 -26.687 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -19.360 17.402 -28.438 1.00 0.00 H new ATOM 285 N SER A 19 -14.031 12.263 -28.863 1.00 0.00 N ATOM 286 CA SER A 19 -14.678 11.777 -30.070 1.00 0.00 C ATOM 287 C SER A 19 -15.770 10.769 -29.708 1.00 0.00 C ATOM 288 O SER A 19 -15.475 9.669 -29.246 1.00 0.00 O ATOM 289 CB SER A 19 -13.663 11.143 -31.022 1.00 0.00 C ATOM 290 OG SER A 19 -13.183 9.892 -30.534 1.00 0.00 O ATOM 0 H SER A 19 -13.014 12.314 -28.915 1.00 0.00 H new ATOM 0 HA SER A 19 -15.132 12.626 -30.581 1.00 0.00 H new ATOM 0 HB2 SER A 19 -14.124 10.998 -31.999 1.00 0.00 H new ATOM 0 HB3 SER A 19 -12.823 11.824 -31.163 1.00 0.00 H new ATOM 0 HG SER A 19 -13.747 9.593 -29.790 1.00 0.00 H new ATOM 296 N GLN A 20 -17.010 11.181 -29.933 1.00 0.00 N ATOM 297 CA GLN A 20 -18.147 10.327 -29.637 1.00 0.00 C ATOM 298 C GLN A 20 -17.908 9.556 -28.338 1.00 0.00 C ATOM 299 O GLN A 20 -18.026 8.332 -28.308 1.00 0.00 O ATOM 300 CB GLN A 20 -18.432 9.372 -30.799 1.00 0.00 C ATOM 301 CG GLN A 20 -19.876 9.516 -31.284 1.00 0.00 C ATOM 302 CD GLN A 20 -20.420 8.177 -31.788 1.00 0.00 C ATOM 303 OE1 GLN A 20 -19.694 7.218 -31.990 1.00 0.00 O ATOM 304 NE2 GLN A 20 -21.736 8.166 -31.979 1.00 0.00 N ATOM 0 H GLN A 20 -17.251 12.095 -30.317 1.00 0.00 H new ATOM 0 HA GLN A 20 -19.026 10.958 -29.504 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -17.746 9.578 -31.621 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -18.251 8.345 -30.483 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -20.502 9.884 -30.471 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -19.923 10.256 -32.083 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -22.286 9.004 -31.790 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -22.196 7.319 -32.314 1.00 0.00 H new ATOM 313 N LEU A 21 -17.575 10.303 -27.296 1.00 0.00 N ATOM 314 CA LEU A 21 -17.318 9.705 -25.997 1.00 0.00 C ATOM 315 C LEU A 21 -18.262 10.319 -24.962 1.00 0.00 C ATOM 316 O LEU A 21 -17.992 11.396 -24.433 1.00 0.00 O ATOM 317 CB LEU A 21 -15.838 9.832 -25.632 1.00 0.00 C ATOM 318 CG LEU A 21 -15.445 9.333 -24.241 1.00 0.00 C ATOM 319 CD1 LEU A 21 -15.596 10.443 -23.197 1.00 0.00 C ATOM 320 CD2 LEU A 21 -16.238 8.081 -23.863 1.00 0.00 C ATOM 0 H LEU A 21 -17.477 11.318 -27.325 1.00 0.00 H new ATOM 0 HA LEU A 21 -17.525 8.635 -26.022 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -15.254 9.284 -26.371 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -15.553 10.881 -25.714 1.00 0.00 H new ATOM 0 HG LEU A 21 -14.392 9.053 -24.264 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -15.310 10.062 -22.217 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -14.952 11.282 -23.462 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -16.633 10.777 -23.168 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -15.939 7.747 -22.869 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -17.303 8.311 -23.863 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -16.037 7.291 -24.587 1.00 0.00 H new ATOM 332 N ASP A 22 -19.350 9.608 -24.704 1.00 0.00 N ATOM 333 CA ASP A 22 -20.335 10.069 -23.741 1.00 0.00 C ATOM 334 C ASP A 22 -19.785 9.883 -22.326 1.00 0.00 C ATOM 335 O ASP A 22 -18.802 9.171 -22.126 1.00 0.00 O ATOM 336 CB ASP A 22 -21.633 9.267 -23.853 1.00 0.00 C ATOM 337 CG ASP A 22 -22.723 9.916 -24.708 1.00 0.00 C ATOM 338 OD1 ASP A 22 -22.631 11.146 -24.908 1.00 0.00 O ATOM 339 OD2 ASP A 22 -23.624 9.166 -25.144 1.00 0.00 O ATOM 0 H ASP A 22 -19.571 8.715 -25.146 1.00 0.00 H new ATOM 0 HA ASP A 22 -20.541 11.119 -23.947 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -21.402 8.286 -24.269 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -22.028 9.103 -22.851 1.00 0.00 H new ATOM 344 N ARG A 23 -20.444 10.535 -21.379 1.00 0.00 N ATOM 345 CA ARG A 23 -20.033 10.451 -19.987 1.00 0.00 C ATOM 346 C ARG A 23 -20.269 9.038 -19.450 1.00 0.00 C ATOM 347 O ARG A 23 -19.865 8.720 -18.332 1.00 0.00 O ATOM 348 CB ARG A 23 -20.802 11.453 -19.124 1.00 0.00 C ATOM 349 CG ARG A 23 -20.256 12.870 -19.310 1.00 0.00 C ATOM 350 CD ARG A 23 -18.887 13.022 -18.641 1.00 0.00 C ATOM 351 NE ARG A 23 -19.031 12.936 -17.171 1.00 0.00 N ATOM 352 CZ ARG A 23 -18.001 12.830 -16.320 1.00 0.00 C ATOM 353 NH1 ARG A 23 -16.746 12.797 -16.789 1.00 0.00 N ATOM 354 NH2 ARG A 23 -18.226 12.757 -15.002 1.00 0.00 N ATOM 0 H ARG A 23 -21.260 11.124 -21.548 1.00 0.00 H new ATOM 0 HA ARG A 23 -18.970 10.689 -19.939 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -21.859 11.429 -19.388 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -20.729 11.166 -18.075 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -20.172 13.095 -20.373 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -20.954 13.591 -18.886 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -18.211 12.243 -18.995 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -18.443 13.979 -18.916 1.00 0.00 H new ATOM 0 HE ARG A 23 -19.973 12.959 -16.781 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -16.575 12.853 -17.793 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -15.962 12.716 -16.142 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -19.181 12.782 -14.646 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -17.442 12.676 -14.354 1.00 0.00 H new ATOM 368 N ASP A 24 -20.921 8.228 -20.271 1.00 0.00 N ATOM 369 CA ASP A 24 -21.214 6.856 -19.891 1.00 0.00 C ATOM 370 C ASP A 24 -20.648 5.906 -20.948 1.00 0.00 C ATOM 371 O ASP A 24 -21.133 4.787 -21.106 1.00 0.00 O ATOM 372 CB ASP A 24 -22.724 6.621 -19.804 1.00 0.00 C ATOM 373 CG ASP A 24 -23.504 6.947 -21.078 1.00 0.00 C ATOM 374 OD1 ASP A 24 -23.636 6.027 -21.913 1.00 0.00 O ATOM 375 OD2 ASP A 24 -23.950 8.109 -21.189 1.00 0.00 O ATOM 0 H ASP A 24 -21.255 8.495 -21.197 1.00 0.00 H new ATOM 0 HA ASP A 24 -20.762 6.672 -18.916 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -22.900 5.577 -19.546 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -23.124 7.223 -18.988 1.00 0.00 H new ATOM 380 N GLN A 25 -19.630 6.388 -21.647 1.00 0.00 N ATOM 381 CA GLN A 25 -18.993 5.596 -22.685 1.00 0.00 C ATOM 382 C GLN A 25 -17.570 5.221 -22.267 1.00 0.00 C ATOM 383 O GLN A 25 -17.094 5.649 -21.218 1.00 0.00 O ATOM 384 CB GLN A 25 -18.994 6.342 -24.021 1.00 0.00 C ATOM 385 CG GLN A 25 -20.250 6.015 -24.831 1.00 0.00 C ATOM 386 CD GLN A 25 -20.237 6.738 -26.180 1.00 0.00 C ATOM 387 OE1 GLN A 25 -20.983 7.672 -26.420 1.00 0.00 O ATOM 388 NE2 GLN A 25 -19.349 6.254 -27.043 1.00 0.00 N ATOM 0 H GLN A 25 -19.231 7.317 -21.514 1.00 0.00 H new ATOM 0 HA GLN A 25 -19.565 4.678 -22.819 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -18.942 7.416 -23.842 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -18.107 6.071 -24.594 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -20.313 4.939 -24.992 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -21.136 6.306 -24.267 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -18.755 5.469 -26.777 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -19.262 6.668 -27.971 1.00 0.00 H new ATOM 397 N CYS A 26 -16.931 4.423 -23.110 1.00 0.00 N ATOM 398 CA CYS A 26 -15.572 3.984 -22.842 1.00 0.00 C ATOM 399 C CYS A 26 -14.631 4.723 -23.797 1.00 0.00 C ATOM 400 O CYS A 26 -14.909 4.828 -24.991 1.00 0.00 O ATOM 401 CB CYS A 26 -15.433 2.465 -22.966 1.00 0.00 C ATOM 402 SG CYS A 26 -13.684 1.977 -22.747 1.00 0.00 S ATOM 0 H CYS A 26 -17.330 4.069 -23.980 1.00 0.00 H new ATOM 0 HA CYS A 26 -15.306 4.224 -21.813 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -16.053 1.972 -22.217 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -15.791 2.137 -23.942 1.00 0.00 H new ATOM 407 N ALA A 27 -13.538 5.216 -23.234 1.00 0.00 N ATOM 408 CA ALA A 27 -12.555 5.942 -24.021 1.00 0.00 C ATOM 409 C ALA A 27 -11.342 5.043 -24.269 1.00 0.00 C ATOM 410 O ALA A 27 -10.204 5.509 -24.249 1.00 0.00 O ATOM 411 CB ALA A 27 -12.181 7.239 -23.299 1.00 0.00 C ATOM 0 H ALA A 27 -13.311 5.127 -22.243 1.00 0.00 H new ATOM 0 HA ALA A 27 -12.967 6.216 -24.992 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.444 7.784 -23.889 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -13.071 7.855 -23.172 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.761 7.003 -22.321 1.00 0.00 H new ATOM 417 N TYR A 28 -11.627 3.769 -24.499 1.00 0.00 N ATOM 418 CA TYR A 28 -10.574 2.801 -24.751 1.00 0.00 C ATOM 419 C TYR A 28 -10.917 1.919 -25.953 1.00 0.00 C ATOM 420 O TYR A 28 -10.120 1.793 -26.882 1.00 0.00 O ATOM 421 CB TYR A 28 -10.497 1.926 -23.498 1.00 0.00 C ATOM 422 CG TYR A 28 -9.092 1.405 -23.189 1.00 0.00 C ATOM 423 CD1 TYR A 28 -8.030 2.285 -23.114 1.00 0.00 C ATOM 424 CD2 TYR A 28 -8.885 0.057 -22.984 1.00 0.00 C ATOM 425 CE1 TYR A 28 -6.708 1.795 -22.823 1.00 0.00 C ATOM 426 CE2 TYR A 28 -7.563 -0.434 -22.693 1.00 0.00 C ATOM 427 CZ TYR A 28 -6.540 0.460 -22.626 1.00 0.00 C ATOM 428 OH TYR A 28 -5.291 -0.003 -22.351 1.00 0.00 O ATOM 0 H TYR A 28 -12.572 3.386 -24.516 1.00 0.00 H new ATOM 0 HA TYR A 28 -9.632 3.306 -24.967 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -10.857 2.500 -22.644 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -11.170 1.077 -23.618 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -8.191 3.341 -23.274 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -9.715 -0.631 -23.042 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -5.869 2.472 -22.763 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -7.388 -1.487 -22.532 1.00 0.00 H new ATOM 0 HH TYR A 28 -4.782 0.689 -21.878 1.00 0.00 H new ATOM 438 N CYS A 29 -12.104 1.332 -25.898 1.00 0.00 N ATOM 439 CA CYS A 29 -12.561 0.466 -26.970 1.00 0.00 C ATOM 440 C CYS A 29 -13.704 1.173 -27.703 1.00 0.00 C ATOM 441 O CYS A 29 -14.036 0.815 -28.833 1.00 0.00 O ATOM 442 CB CYS A 29 -12.983 -0.908 -26.447 1.00 0.00 C ATOM 443 SG CYS A 29 -14.447 -0.744 -25.363 1.00 0.00 S ATOM 0 H CYS A 29 -12.763 1.440 -25.127 1.00 0.00 H new ATOM 0 HA CYS A 29 -11.742 0.281 -27.666 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -13.212 -1.570 -27.283 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -12.161 -1.364 -25.895 1.00 0.00 H new ATOM 448 N LYS A 30 -14.273 2.161 -27.031 1.00 0.00 N ATOM 449 CA LYS A 30 -15.372 2.921 -27.604 1.00 0.00 C ATOM 450 C LYS A 30 -16.694 2.232 -27.264 1.00 0.00 C ATOM 451 O LYS A 30 -17.694 2.423 -27.955 1.00 0.00 O ATOM 452 CB LYS A 30 -15.154 3.129 -29.105 1.00 0.00 C ATOM 453 CG LYS A 30 -15.538 4.550 -29.523 1.00 0.00 C ATOM 454 CD LYS A 30 -14.340 5.286 -30.125 1.00 0.00 C ATOM 455 CE LYS A 30 -13.769 6.305 -29.136 1.00 0.00 C ATOM 456 NZ LYS A 30 -12.375 6.647 -29.493 1.00 0.00 N ATOM 0 H LYS A 30 -13.994 2.454 -26.095 1.00 0.00 H new ATOM 0 HA LYS A 30 -15.412 3.920 -27.170 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -14.109 2.943 -29.354 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -15.749 2.408 -29.666 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -16.349 4.512 -30.250 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -15.910 5.099 -28.658 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -13.567 4.568 -30.399 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -14.643 5.793 -31.041 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -14.383 7.206 -29.138 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -13.803 5.898 -28.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -12.002 7.339 -28.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.790 5.788 -29.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.352 7.055 -30.449 1.00 0.00 H new ATOM 470 N GLU A 31 -16.658 1.445 -26.199 1.00 0.00 N ATOM 471 CA GLU A 31 -17.842 0.727 -25.759 1.00 0.00 C ATOM 472 C GLU A 31 -18.699 1.618 -24.858 1.00 0.00 C ATOM 473 O GLU A 31 -18.187 2.246 -23.933 1.00 0.00 O ATOM 474 CB GLU A 31 -17.462 -0.571 -25.045 1.00 0.00 C ATOM 475 CG GLU A 31 -18.704 -1.288 -24.510 1.00 0.00 C ATOM 476 CD GLU A 31 -19.460 -1.990 -25.639 1.00 0.00 C ATOM 477 OE1 GLU A 31 -20.230 -1.289 -26.330 1.00 0.00 O ATOM 478 OE2 GLU A 31 -19.252 -3.215 -25.785 1.00 0.00 O ATOM 0 H GLU A 31 -15.827 1.289 -25.628 1.00 0.00 H new ATOM 0 HA GLU A 31 -18.429 0.461 -26.638 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -16.928 -1.226 -25.734 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -16.782 -0.352 -24.222 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -18.410 -2.018 -23.755 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -19.361 -0.569 -24.020 1.00 0.00 H new ATOM 485 N LYS A 32 -19.990 1.644 -25.159 1.00 0.00 N ATOM 486 CA LYS A 32 -20.922 2.447 -24.387 1.00 0.00 C ATOM 487 C LYS A 32 -21.532 1.588 -23.278 1.00 0.00 C ATOM 488 O LYS A 32 -22.180 0.580 -23.556 1.00 0.00 O ATOM 489 CB LYS A 32 -21.960 3.094 -25.307 1.00 0.00 C ATOM 490 CG LYS A 32 -21.329 3.519 -26.634 1.00 0.00 C ATOM 491 CD LYS A 32 -21.837 2.652 -27.787 1.00 0.00 C ATOM 492 CE LYS A 32 -22.815 3.429 -28.670 1.00 0.00 C ATOM 493 NZ LYS A 32 -22.196 3.742 -29.976 1.00 0.00 N ATOM 0 H LYS A 32 -20.412 1.122 -25.927 1.00 0.00 H new ATOM 0 HA LYS A 32 -20.402 3.273 -23.900 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -22.772 2.392 -25.495 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -22.397 3.962 -24.814 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -21.561 4.565 -26.832 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -20.244 3.440 -26.566 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -20.994 2.309 -28.387 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -22.328 1.764 -27.389 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -23.722 2.843 -28.822 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -23.111 4.352 -28.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -22.873 4.270 -30.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -21.344 4.319 -29.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -21.935 2.858 -30.457 1.00 0.00 H new ATOM 507 N GLY A 33 -21.304 2.019 -22.046 1.00 0.00 N ATOM 508 CA GLY A 33 -21.824 1.301 -20.894 1.00 0.00 C ATOM 509 C GLY A 33 -20.788 1.249 -19.769 1.00 0.00 C ATOM 510 O GLY A 33 -21.090 1.590 -18.627 1.00 0.00 O ATOM 0 H GLY A 33 -20.766 2.856 -21.820 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -22.731 1.788 -20.536 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -22.100 0.288 -21.186 1.00 0.00 H new ATOM 514 N HIS A 34 -19.589 0.818 -20.131 1.00 0.00 N ATOM 515 CA HIS A 34 -18.507 0.715 -19.167 1.00 0.00 C ATOM 516 C HIS A 34 -17.506 1.849 -19.395 1.00 0.00 C ATOM 517 O HIS A 34 -17.462 2.433 -20.478 1.00 0.00 O ATOM 518 CB HIS A 34 -17.859 -0.669 -19.222 1.00 0.00 C ATOM 519 CG HIS A 34 -17.039 -0.914 -20.467 1.00 0.00 C ATOM 520 ND1 HIS A 34 -17.413 -1.820 -21.444 1.00 0.00 N ATOM 521 CD2 HIS A 34 -15.864 -0.360 -20.884 1.00 0.00 C ATOM 522 CE1 HIS A 34 -16.496 -1.806 -22.400 1.00 0.00 C ATOM 523 NE2 HIS A 34 -15.537 -0.901 -22.051 1.00 0.00 N ATOM 0 H HIS A 34 -19.343 0.536 -21.080 1.00 0.00 H new ATOM 0 HA HIS A 34 -18.904 0.825 -18.158 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -17.220 -0.795 -18.348 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -18.639 -1.427 -19.158 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -18.252 -2.400 -21.430 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -15.297 0.391 -20.355 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -16.506 -2.406 -23.298 1.00 0.00 H new ATOM 531 N TRP A 35 -16.728 2.127 -18.360 1.00 0.00 N ATOM 532 CA TRP A 35 -15.731 3.181 -18.435 1.00 0.00 C ATOM 533 C TRP A 35 -14.400 2.543 -18.843 1.00 0.00 C ATOM 534 O TRP A 35 -14.228 1.331 -18.732 1.00 0.00 O ATOM 535 CB TRP A 35 -15.645 3.950 -17.116 1.00 0.00 C ATOM 536 CG TRP A 35 -16.539 5.190 -17.060 1.00 0.00 C ATOM 537 CD1 TRP A 35 -17.802 5.316 -17.490 1.00 0.00 C ATOM 538 CD2 TRP A 35 -16.186 6.481 -16.522 1.00 0.00 C ATOM 539 NE1 TRP A 35 -18.286 6.590 -17.269 1.00 0.00 N ATOM 540 CE2 TRP A 35 -17.273 7.321 -16.662 1.00 0.00 C ATOM 541 CE3 TRP A 35 -14.988 6.926 -15.936 1.00 0.00 C ATOM 542 CZ2 TRP A 35 -17.269 8.656 -16.241 1.00 0.00 C ATOM 543 CZ3 TRP A 35 -15.001 8.263 -15.521 1.00 0.00 C ATOM 544 CH2 TRP A 35 -16.085 9.121 -15.655 1.00 0.00 C ATOM 0 H TRP A 35 -16.768 1.641 -17.464 1.00 0.00 H new ATOM 0 HA TRP A 35 -16.008 3.922 -19.185 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -15.917 3.282 -16.299 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -14.611 4.252 -16.950 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -18.370 4.521 -17.951 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -19.217 6.932 -17.508 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -14.126 6.287 -15.816 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -18.133 9.293 -16.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -14.104 8.655 -15.064 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -16.015 10.142 -15.309 1.00 0.00 H new ATOM 555 N ALA A 36 -13.492 3.391 -19.306 1.00 0.00 N ATOM 556 CA ALA A 36 -12.182 2.926 -19.731 1.00 0.00 C ATOM 557 C ALA A 36 -11.504 2.196 -18.570 1.00 0.00 C ATOM 558 O ALA A 36 -10.905 1.139 -18.762 1.00 0.00 O ATOM 559 CB ALA A 36 -11.358 4.112 -20.235 1.00 0.00 C ATOM 0 H ALA A 36 -13.638 4.397 -19.396 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.274 2.220 -20.556 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.376 3.763 -20.554 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.869 4.578 -21.078 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.242 4.841 -19.433 1.00 0.00 H new ATOM 565 N LYS A 37 -11.621 2.789 -17.391 1.00 0.00 N ATOM 566 CA LYS A 37 -11.026 2.208 -16.199 1.00 0.00 C ATOM 567 C LYS A 37 -11.732 0.891 -15.872 1.00 0.00 C ATOM 568 O LYS A 37 -11.267 0.126 -15.028 1.00 0.00 O ATOM 569 CB LYS A 37 -11.041 3.216 -15.048 1.00 0.00 C ATOM 570 CG LYS A 37 -10.320 4.507 -15.441 1.00 0.00 C ATOM 571 CD LYS A 37 -8.949 4.596 -14.769 1.00 0.00 C ATOM 572 CE LYS A 37 -8.299 5.957 -15.026 1.00 0.00 C ATOM 573 NZ LYS A 37 -7.147 5.818 -15.945 1.00 0.00 N ATOM 0 H LYS A 37 -12.119 3.666 -17.235 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.976 1.972 -16.373 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.071 3.440 -14.770 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.562 2.780 -14.172 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.201 4.546 -16.524 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.925 5.367 -15.155 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.055 4.437 -13.696 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.303 3.803 -15.147 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.032 6.641 -15.454 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.969 6.392 -14.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.718 6.751 -16.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.441 5.182 -15.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.471 5.423 -16.851 1.00 0.00 H new ATOM 587 N ASP A 38 -12.844 0.666 -16.558 1.00 0.00 N ATOM 588 CA ASP A 38 -13.618 -0.546 -16.350 1.00 0.00 C ATOM 589 C ASP A 38 -13.674 -1.340 -17.658 1.00 0.00 C ATOM 590 O ASP A 38 -14.417 -2.313 -17.765 1.00 0.00 O ATOM 591 CB ASP A 38 -15.054 -0.218 -15.935 1.00 0.00 C ATOM 592 CG ASP A 38 -15.622 -1.100 -14.822 1.00 0.00 C ATOM 593 OD1 ASP A 38 -15.320 -0.795 -13.647 1.00 0.00 O ATOM 594 OD2 ASP A 38 -16.345 -2.057 -15.170 1.00 0.00 O ATOM 0 H ASP A 38 -13.227 1.302 -17.258 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.137 -1.122 -15.560 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -15.094 0.822 -15.610 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -15.698 -0.304 -16.810 1.00 0.00 H new ATOM 599 N CYS A 39 -12.878 -0.893 -18.618 1.00 0.00 N ATOM 600 CA CYS A 39 -12.827 -1.550 -19.913 1.00 0.00 C ATOM 601 C CYS A 39 -12.338 -2.984 -19.706 1.00 0.00 C ATOM 602 O CYS A 39 -11.293 -3.205 -19.095 1.00 0.00 O ATOM 603 CB CYS A 39 -11.946 -0.784 -20.902 1.00 0.00 C ATOM 604 SG CYS A 39 -12.129 -1.490 -22.580 1.00 0.00 S ATOM 0 H CYS A 39 -12.263 -0.084 -18.525 1.00 0.00 H new ATOM 0 HA CYS A 39 -13.824 -1.567 -20.353 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -12.225 0.270 -20.909 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -10.903 -0.836 -20.589 1.00 0.00 H new ATOM 609 N PRO A 40 -13.136 -3.947 -20.239 1.00 0.00 N ATOM 610 CA PRO A 40 -12.795 -5.354 -20.119 1.00 0.00 C ATOM 611 C PRO A 40 -11.655 -5.725 -21.069 1.00 0.00 C ATOM 612 O PRO A 40 -11.228 -6.879 -21.113 1.00 0.00 O ATOM 613 CB PRO A 40 -14.085 -6.100 -20.419 1.00 0.00 C ATOM 614 CG PRO A 40 -14.979 -5.109 -21.148 1.00 0.00 C ATOM 615 CD PRO A 40 -14.381 -3.723 -20.969 1.00 0.00 C ATOM 0 HA PRO A 40 -12.423 -5.613 -19.128 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -13.894 -6.979 -21.034 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -14.557 -6.450 -19.501 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -15.046 -5.362 -22.206 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -15.992 -5.142 -20.747 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -14.195 -3.245 -21.931 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -15.054 -3.070 -20.413 1.00 0.00 H new ATOM 623 N LYS A 41 -11.193 -4.726 -21.806 1.00 0.00 N ATOM 624 CA LYS A 41 -10.110 -4.933 -22.754 1.00 0.00 C ATOM 625 C LYS A 41 -8.781 -4.568 -22.090 1.00 0.00 C ATOM 626 O LYS A 41 -7.720 -4.988 -22.547 1.00 0.00 O ATOM 627 CB LYS A 41 -10.381 -4.168 -24.052 1.00 0.00 C ATOM 628 CG LYS A 41 -9.463 -4.654 -25.176 1.00 0.00 C ATOM 629 CD LYS A 41 -9.087 -3.504 -26.111 1.00 0.00 C ATOM 630 CE LYS A 41 -7.582 -3.495 -26.393 1.00 0.00 C ATOM 631 NZ LYS A 41 -7.244 -4.499 -27.426 1.00 0.00 N ATOM 0 H LYS A 41 -11.548 -3.771 -21.766 1.00 0.00 H new ATOM 0 HA LYS A 41 -10.047 -5.983 -23.038 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -11.422 -4.300 -24.345 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.228 -3.101 -23.888 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.560 -5.091 -24.750 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -9.961 -5.441 -25.743 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.636 -3.599 -27.048 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.382 -2.555 -25.663 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.274 -2.504 -26.726 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.033 -3.708 -25.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.220 -4.481 -27.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.520 -5.445 -27.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.754 -4.278 -28.305 1.00 0.00 H new ATOM 645 N LYS A 42 -8.884 -3.787 -21.024 1.00 0.00 N ATOM 646 CA LYS A 42 -7.702 -3.360 -20.293 1.00 0.00 C ATOM 647 C LYS A 42 -6.841 -4.582 -19.967 1.00 0.00 C ATOM 648 O LYS A 42 -7.191 -5.379 -19.098 1.00 0.00 O ATOM 649 CB LYS A 42 -8.101 -2.542 -19.063 1.00 0.00 C ATOM 650 CG LYS A 42 -7.972 -1.042 -19.337 1.00 0.00 C ATOM 651 CD LYS A 42 -7.777 -0.262 -18.036 1.00 0.00 C ATOM 652 CE LYS A 42 -6.988 1.025 -18.281 1.00 0.00 C ATOM 653 NZ LYS A 42 -7.554 2.139 -17.487 1.00 0.00 N ATOM 0 H LYS A 42 -9.767 -3.439 -20.649 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.093 -2.695 -20.906 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -9.128 -2.777 -18.783 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.469 -2.817 -18.218 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.128 -0.862 -20.003 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.865 -0.684 -19.849 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.748 -0.021 -17.604 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -7.251 -0.883 -17.311 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.942 0.874 -18.013 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.012 1.277 -19.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.017 3.009 -17.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.550 2.282 -17.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.493 1.910 -16.474 1.00 0.00 H new ATOM 667 N PRO A 43 -5.700 -4.694 -20.700 1.00 0.00 N ATOM 668 CA PRO A 43 -4.787 -5.804 -20.498 1.00 0.00 C ATOM 669 C PRO A 43 -3.981 -5.624 -19.209 1.00 0.00 C ATOM 670 O PRO A 43 -4.009 -4.555 -18.600 1.00 0.00 O ATOM 671 CB PRO A 43 -3.916 -5.829 -21.744 1.00 0.00 C ATOM 672 CG PRO A 43 -4.063 -4.457 -22.382 1.00 0.00 C ATOM 673 CD PRO A 43 -5.255 -3.768 -21.738 1.00 0.00 C ATOM 0 HA PRO A 43 -5.304 -6.755 -20.370 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -2.876 -6.032 -21.489 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.236 -6.615 -22.429 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.157 -3.869 -22.235 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.212 -4.550 -23.458 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -4.974 -2.804 -21.315 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.044 -3.579 -22.466 1.00 0.00 H new ATOM 681 N ARG A 44 -3.283 -6.684 -18.832 1.00 0.00 N ATOM 682 CA ARG A 44 -2.471 -6.656 -17.627 1.00 0.00 C ATOM 683 C ARG A 44 -1.653 -5.365 -17.567 1.00 0.00 C ATOM 684 O ARG A 44 -1.233 -4.844 -18.600 1.00 0.00 O ATOM 685 CB ARG A 44 -1.522 -7.856 -17.574 1.00 0.00 C ATOM 686 CG ARG A 44 -1.690 -8.630 -16.266 1.00 0.00 C ATOM 687 CD ARG A 44 -2.966 -9.475 -16.289 1.00 0.00 C ATOM 688 NE ARG A 44 -3.161 -10.132 -14.977 1.00 0.00 N ATOM 689 CZ ARG A 44 -4.232 -10.873 -14.660 1.00 0.00 C ATOM 690 NH1 ARG A 44 -5.210 -11.055 -15.558 1.00 0.00 N ATOM 691 NH2 ARG A 44 -4.325 -11.430 -13.446 1.00 0.00 N ATOM 0 H ARG A 44 -3.263 -7.569 -19.340 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.146 -6.702 -16.772 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.717 -8.516 -18.419 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.491 -7.514 -17.668 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.825 -9.275 -16.107 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.726 -7.933 -15.429 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.825 -8.845 -16.521 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.900 -10.227 -17.075 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.435 -10.013 -14.270 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.139 -10.630 -16.482 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -6.025 -11.619 -15.317 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -3.581 -11.290 -12.762 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.140 -11.994 -13.205 1.00 0.00 H new ATOM 705 N GLY A 45 -1.453 -4.885 -16.350 1.00 0.00 N ATOM 706 CA GLY A 45 -0.692 -3.664 -16.142 1.00 0.00 C ATOM 707 C GLY A 45 -1.170 -2.926 -14.889 1.00 0.00 C ATOM 708 O GLY A 45 -2.133 -3.346 -14.247 1.00 0.00 O ATOM 0 H GLY A 45 -1.804 -5.319 -15.496 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.367 -3.903 -16.046 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.794 -3.015 -17.012 1.00 0.00 H new ATOM 712 N PRO A 46 -0.458 -1.814 -14.570 1.00 0.00 N ATOM 713 CA PRO A 46 0.669 -1.387 -15.383 1.00 0.00 C ATOM 714 C PRO A 46 1.888 -2.279 -15.142 1.00 0.00 C ATOM 715 O PRO A 46 2.575 -2.667 -16.087 1.00 0.00 O ATOM 716 CB PRO A 46 0.907 0.063 -14.996 1.00 0.00 C ATOM 717 CG PRO A 46 0.215 0.255 -13.655 1.00 0.00 C ATOM 718 CD PRO A 46 -0.704 -0.934 -13.431 1.00 0.00 C ATOM 0 HA PRO A 46 0.473 -1.472 -16.452 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.973 0.277 -14.920 1.00 0.00 H new ATOM 0 HB3 PRO A 46 0.499 0.740 -15.747 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.950 0.326 -12.853 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -0.355 1.184 -13.649 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.481 -1.435 -12.489 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -1.748 -0.625 -13.388 1.00 0.00 H new ATOM 726 N ARG A 47 2.120 -2.579 -13.873 1.00 0.00 N ATOM 727 CA ARG A 47 3.244 -3.419 -13.496 1.00 0.00 C ATOM 728 C ARG A 47 2.760 -4.621 -12.683 1.00 0.00 C ATOM 729 O ARG A 47 2.095 -4.458 -11.661 1.00 0.00 O ATOM 730 CB ARG A 47 4.266 -2.634 -12.672 1.00 0.00 C ATOM 731 CG ARG A 47 5.696 -3.012 -13.065 1.00 0.00 C ATOM 732 CD ARG A 47 6.409 -3.728 -11.916 1.00 0.00 C ATOM 733 NE ARG A 47 7.109 -2.743 -11.062 1.00 0.00 N ATOM 734 CZ ARG A 47 8.187 -2.047 -11.448 1.00 0.00 C ATOM 735 NH1 ARG A 47 8.694 -2.224 -12.675 1.00 0.00 N ATOM 736 NH2 ARG A 47 8.757 -1.174 -10.607 1.00 0.00 N ATOM 0 H ARG A 47 1.549 -2.255 -13.092 1.00 0.00 H new ATOM 0 HA ARG A 47 3.721 -3.765 -14.413 1.00 0.00 H new ATOM 0 HB2 ARG A 47 4.115 -1.565 -12.822 1.00 0.00 H new ATOM 0 HB3 ARG A 47 4.112 -2.832 -11.611 1.00 0.00 H new ATOM 0 HG2 ARG A 47 5.677 -3.656 -13.944 1.00 0.00 H new ATOM 0 HG3 ARG A 47 6.251 -2.115 -13.339 1.00 0.00 H new ATOM 0 HD2 ARG A 47 5.687 -4.288 -11.322 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.123 -4.449 -12.313 1.00 0.00 H new ATOM 0 HE ARG A 47 6.749 -2.584 -10.121 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.260 -2.888 -13.315 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.515 -1.694 -12.969 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.370 -1.039 -9.673 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.578 -0.644 -10.901 1.00 0.00 H new ATOM 750 N GLY A 48 3.112 -5.804 -13.168 1.00 0.00 N ATOM 751 CA GLY A 48 2.721 -7.033 -12.500 1.00 0.00 C ATOM 752 C GLY A 48 3.886 -8.023 -12.448 1.00 0.00 C ATOM 753 O GLY A 48 5.043 -7.621 -12.324 1.00 0.00 O ATOM 0 H GLY A 48 3.664 -5.936 -14.016 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.384 -6.810 -11.488 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.879 -7.484 -13.025 1.00 0.00 H new ATOM 757 N PRO A 49 3.533 -9.332 -12.550 1.00 0.00 N ATOM 758 CA PRO A 49 4.536 -10.383 -12.516 1.00 0.00 C ATOM 759 C PRO A 49 5.302 -10.452 -13.839 1.00 0.00 C ATOM 760 O PRO A 49 4.942 -11.220 -14.730 1.00 0.00 O ATOM 761 CB PRO A 49 3.762 -11.656 -12.211 1.00 0.00 C ATOM 762 CG PRO A 49 2.311 -11.351 -12.544 1.00 0.00 C ATOM 763 CD PRO A 49 2.174 -9.846 -12.698 1.00 0.00 C ATOM 0 HA PRO A 49 5.303 -10.209 -11.761 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.132 -12.490 -12.807 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.871 -11.938 -11.164 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.016 -11.857 -13.463 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.654 -11.715 -11.755 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.755 -9.584 -13.670 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.509 -9.430 -11.942 1.00 0.00 H new ATOM 771 N ARG A 50 6.346 -9.639 -13.925 1.00 0.00 N ATOM 772 CA ARG A 50 7.165 -9.598 -15.123 1.00 0.00 C ATOM 773 C ARG A 50 8.608 -9.235 -14.767 1.00 0.00 C ATOM 774 O ARG A 50 8.946 -8.058 -14.655 1.00 0.00 O ATOM 775 CB ARG A 50 6.624 -8.579 -16.126 1.00 0.00 C ATOM 776 CG ARG A 50 5.930 -9.277 -17.298 1.00 0.00 C ATOM 777 CD ARG A 50 6.951 -9.954 -18.215 1.00 0.00 C ATOM 778 NE ARG A 50 7.503 -8.968 -19.172 1.00 0.00 N ATOM 779 CZ ARG A 50 8.602 -8.236 -18.945 1.00 0.00 C ATOM 780 NH1 ARG A 50 9.275 -8.375 -17.795 1.00 0.00 N ATOM 781 NH2 ARG A 50 9.030 -7.366 -19.870 1.00 0.00 N ATOM 0 H ARG A 50 6.642 -9.004 -13.184 1.00 0.00 H new ATOM 0 HA ARG A 50 7.137 -10.588 -15.577 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.921 -7.911 -15.628 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.441 -7.961 -16.498 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.227 -10.019 -16.919 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.350 -8.550 -17.867 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.756 -10.386 -17.621 1.00 0.00 H new ATOM 0 HD3 ARG A 50 6.479 -10.774 -18.756 1.00 0.00 H new ATOM 0 HE ARG A 50 7.016 -8.838 -20.059 1.00 0.00 H new ATOM 0 HH11 ARG A 50 8.951 -9.039 -17.091 1.00 0.00 H new ATOM 0 HH12 ARG A 50 10.112 -7.817 -17.623 1.00 0.00 H new ATOM 0 HH21 ARG A 50 8.519 -7.261 -20.747 1.00 0.00 H new ATOM 0 HH22 ARG A 50 9.867 -6.809 -19.697 1.00 0.00 H new ATOM 795 N PRO A 51 9.442 -10.296 -14.593 1.00 0.00 N ATOM 796 CA PRO A 51 10.840 -10.100 -14.252 1.00 0.00 C ATOM 797 C PRO A 51 11.640 -9.626 -15.466 1.00 0.00 C ATOM 798 O PRO A 51 11.592 -10.247 -16.527 1.00 0.00 O ATOM 799 CB PRO A 51 11.308 -11.446 -13.721 1.00 0.00 C ATOM 800 CG PRO A 51 10.294 -12.464 -14.216 1.00 0.00 C ATOM 801 CD PRO A 51 9.077 -11.704 -14.717 1.00 0.00 C ATOM 0 HA PRO A 51 10.985 -9.319 -13.505 1.00 0.00 H new ATOM 0 HB2 PRO A 51 12.308 -11.683 -14.084 1.00 0.00 H new ATOM 0 HB3 PRO A 51 11.357 -11.441 -12.632 1.00 0.00 H new ATOM 0 HG2 PRO A 51 10.721 -13.070 -15.015 1.00 0.00 H new ATOM 0 HG3 PRO A 51 10.014 -13.146 -13.413 1.00 0.00 H new ATOM 0 HD2 PRO A 51 8.846 -11.964 -15.750 1.00 0.00 H new ATOM 0 HD3 PRO A 51 8.193 -11.937 -14.124 1.00 0.00 H new ATOM 809 N GLN A 52 12.360 -8.530 -15.271 1.00 0.00 N ATOM 810 CA GLN A 52 13.168 -7.965 -16.337 1.00 0.00 C ATOM 811 C GLN A 52 14.364 -8.872 -16.634 1.00 0.00 C ATOM 812 O GLN A 52 14.499 -9.384 -17.744 1.00 0.00 O ATOM 813 CB GLN A 52 13.628 -6.550 -15.985 1.00 0.00 C ATOM 814 CG GLN A 52 13.446 -5.602 -17.173 1.00 0.00 C ATOM 815 CD GLN A 52 14.312 -4.351 -17.014 1.00 0.00 C ATOM 816 OE1 GLN A 52 14.038 -3.473 -16.212 1.00 0.00 O ATOM 817 NE2 GLN A 52 15.369 -4.318 -17.821 1.00 0.00 N ATOM 0 H GLN A 52 12.400 -8.019 -14.389 1.00 0.00 H new ATOM 0 HA GLN A 52 12.554 -7.899 -17.235 1.00 0.00 H new ATOM 0 HB2 GLN A 52 13.060 -6.181 -15.131 1.00 0.00 H new ATOM 0 HB3 GLN A 52 14.676 -6.568 -15.687 1.00 0.00 H new ATOM 0 HG2 GLN A 52 13.710 -6.116 -18.097 1.00 0.00 H new ATOM 0 HG3 GLN A 52 12.398 -5.315 -17.256 1.00 0.00 H new ATOM 0 HE21 GLN A 52 15.540 -5.087 -18.469 1.00 0.00 H new ATOM 0 HE22 GLN A 52 16.009 -3.524 -17.792 1.00 0.00 H new ATOM 826 N THR A 53 15.201 -9.045 -15.621 1.00 0.00 N ATOM 827 CA THR A 53 16.381 -9.882 -15.759 1.00 0.00 C ATOM 828 C THR A 53 17.060 -9.627 -17.106 1.00 0.00 C ATOM 829 O THR A 53 17.161 -10.531 -17.935 1.00 0.00 O ATOM 830 CB THR A 53 15.953 -11.338 -15.559 1.00 0.00 C ATOM 831 OG1 THR A 53 14.867 -11.508 -16.466 1.00 0.00 O ATOM 832 CG2 THR A 53 15.332 -11.583 -14.183 1.00 0.00 C ATOM 0 H THR A 53 15.085 -8.620 -14.701 1.00 0.00 H new ATOM 0 HA THR A 53 17.129 -9.641 -15.003 1.00 0.00 H new ATOM 0 HB THR A 53 16.816 -11.991 -15.688 1.00 0.00 H new ATOM 0 HG1 THR A 53 15.103 -11.121 -17.335 1.00 0.00 H new ATOM 0 HG21 THR A 53 15.046 -12.631 -14.094 1.00 0.00 H new ATOM 0 HG22 THR A 53 16.058 -11.338 -13.407 1.00 0.00 H new ATOM 0 HG23 THR A 53 14.449 -10.955 -14.065 1.00 0.00 H new ATOM 840 N SER A 54 17.509 -8.394 -17.282 1.00 0.00 N ATOM 841 CA SER A 54 18.176 -8.009 -18.515 1.00 0.00 C ATOM 842 C SER A 54 19.684 -7.898 -18.281 1.00 0.00 C ATOM 843 O SER A 54 20.469 -8.582 -18.935 1.00 0.00 O ATOM 844 CB SER A 54 17.623 -6.686 -19.050 1.00 0.00 C ATOM 845 OG SER A 54 17.968 -6.479 -20.418 1.00 0.00 O ATOM 0 H SER A 54 17.424 -7.648 -16.592 1.00 0.00 H new ATOM 0 HA SER A 54 17.986 -8.780 -19.262 1.00 0.00 H new ATOM 0 HB2 SER A 54 16.538 -6.677 -18.944 1.00 0.00 H new ATOM 0 HB3 SER A 54 18.009 -5.862 -18.450 1.00 0.00 H new ATOM 0 HG SER A 54 17.596 -5.625 -20.724 1.00 0.00 H new ATOM 851 N LEU A 55 20.043 -7.032 -17.345 1.00 0.00 N ATOM 852 CA LEU A 55 21.443 -6.822 -17.017 1.00 0.00 C ATOM 853 C LEU A 55 21.555 -6.325 -15.574 1.00 0.00 C ATOM 854 O LEU A 55 21.361 -5.141 -15.305 1.00 0.00 O ATOM 855 CB LEU A 55 22.101 -5.894 -18.039 1.00 0.00 C ATOM 856 CG LEU A 55 23.403 -6.400 -18.664 1.00 0.00 C ATOM 857 CD1 LEU A 55 23.126 -7.488 -19.703 1.00 0.00 C ATOM 858 CD2 LEU A 55 24.216 -5.243 -19.248 1.00 0.00 C ATOM 0 H LEU A 55 19.389 -6.467 -16.803 1.00 0.00 H new ATOM 0 HA LEU A 55 21.992 -7.762 -17.075 1.00 0.00 H new ATOM 0 HB2 LEU A 55 21.387 -5.704 -18.840 1.00 0.00 H new ATOM 0 HB3 LEU A 55 22.301 -4.938 -17.556 1.00 0.00 H new ATOM 0 HG LEU A 55 24.006 -6.853 -17.877 1.00 0.00 H new ATOM 0 HD11 LEU A 55 24.068 -7.830 -20.132 1.00 0.00 H new ATOM 0 HD12 LEU A 55 22.619 -8.326 -19.226 1.00 0.00 H new ATOM 0 HD13 LEU A 55 22.493 -7.084 -20.493 1.00 0.00 H new ATOM 0 HD21 LEU A 55 25.136 -5.630 -19.686 1.00 0.00 H new ATOM 0 HD22 LEU A 55 23.631 -4.740 -20.018 1.00 0.00 H new ATOM 0 HD23 LEU A 55 24.461 -4.534 -18.457 1.00 0.00 H new ATOM 870 N LEU A 56 21.868 -7.255 -14.684 1.00 0.00 N ATOM 871 CA LEU A 56 22.009 -6.927 -13.276 1.00 0.00 C ATOM 872 C LEU A 56 23.209 -7.679 -12.698 1.00 0.00 C ATOM 873 O LEU A 56 24.143 -8.015 -13.423 1.00 0.00 O ATOM 874 CB LEU A 56 20.699 -7.192 -12.530 1.00 0.00 C ATOM 875 CG LEU A 56 20.215 -6.074 -11.606 1.00 0.00 C ATOM 876 CD1 LEU A 56 19.870 -4.814 -12.402 1.00 0.00 C ATOM 877 CD2 LEU A 56 19.043 -6.545 -10.743 1.00 0.00 C ATOM 0 H LEU A 56 22.028 -8.236 -14.911 1.00 0.00 H new ATOM 0 HA LEU A 56 22.210 -5.863 -13.152 1.00 0.00 H new ATOM 0 HB2 LEU A 56 19.919 -7.391 -13.265 1.00 0.00 H new ATOM 0 HB3 LEU A 56 20.818 -8.099 -11.938 1.00 0.00 H new ATOM 0 HG LEU A 56 21.029 -5.814 -10.930 1.00 0.00 H new ATOM 0 HD11 LEU A 56 19.529 -4.035 -11.720 1.00 0.00 H new ATOM 0 HD12 LEU A 56 20.755 -4.467 -12.936 1.00 0.00 H new ATOM 0 HD13 LEU A 56 19.080 -5.041 -13.118 1.00 0.00 H new ATOM 0 HD21 LEU A 56 18.718 -5.731 -10.095 1.00 0.00 H new ATOM 0 HD22 LEU A 56 18.217 -6.849 -11.386 1.00 0.00 H new ATOM 0 HD23 LEU A 56 19.358 -7.391 -10.132 1.00 0.00 H new TER 889 LEU A 56 ATOM 890 P U B 517 -2.577 -2.041 -30.209 1.00 0.00 P ATOM 891 OP1 U B 517 -3.544 -2.880 -30.950 1.00 0.00 O ATOM 892 OP2 U B 517 -1.221 -1.892 -30.785 1.00 0.00 O ATOM 893 O5' U B 517 -3.209 -0.580 -30.050 1.00 0.00 O ATOM 894 C5' U B 517 -2.675 0.514 -30.792 1.00 0.00 C ATOM 895 C4' U B 517 -3.794 1.386 -31.313 1.00 0.00 C ATOM 896 O4' U B 517 -4.826 0.444 -31.659 1.00 0.00 O ATOM 897 C3' U B 517 -4.679 1.991 -30.227 1.00 0.00 C ATOM 898 O3' U B 517 -4.084 3.195 -29.747 1.00 0.00 O ATOM 899 C2' U B 517 -6.000 2.255 -30.893 1.00 0.00 C ATOM 900 O2' U B 517 -5.811 3.531 -31.461 1.00 0.00 O ATOM 901 C1' U B 517 -6.055 1.097 -31.886 1.00 0.00 C ATOM 902 N1 U B 517 -7.195 0.184 -31.662 1.00 0.00 N ATOM 903 C2 U B 517 -8.367 0.521 -32.267 1.00 0.00 C ATOM 904 O2 U B 517 -8.508 1.515 -32.962 1.00 0.00 O ATOM 905 N3 U B 517 -9.430 -0.329 -32.061 1.00 0.00 N ATOM 906 C4 U B 517 -9.356 -1.465 -31.295 1.00 0.00 C ATOM 907 O4 U B 517 -10.371 -2.150 -31.180 1.00 0.00 O ATOM 908 C5 U B 517 -8.111 -1.771 -30.686 1.00 0.00 C ATOM 909 C6 U B 517 -7.093 -0.933 -30.900 1.00 0.00 C ATOM 0 H5' U B 517 -2.077 0.142 -31.624 1.00 0.00 H new ATOM 0 H5'' U B 517 -2.010 1.102 -30.159 1.00 0.00 H new ATOM 0 H4' U B 517 -3.325 2.090 -32.001 1.00 0.00 H new ATOM 0 H3' U B 517 -4.803 1.335 -29.366 1.00 0.00 H new ATOM 0 H2' U B 517 -6.924 2.282 -30.316 1.00 0.00 H new ATOM 0 HO2' U B 517 -6.062 4.219 -30.810 1.00 0.00 H new ATOM 0 H1' U B 517 -6.200 1.440 -32.910 1.00 0.00 H new ATOM 0 H3 U B 517 -10.321 -0.102 -32.502 1.00 0.00 H new ATOM 0 H5 U B 517 -7.991 -2.651 -30.071 1.00 0.00 H new ATOM 0 H6 U B 517 -6.140 -1.156 -30.443 1.00 0.00 H new ATOM 920 P U B 518 -3.585 3.291 -28.229 1.00 0.00 P ATOM 921 OP1 U B 518 -2.122 3.514 -28.200 1.00 0.00 O ATOM 922 OP2 U B 518 -4.117 2.147 -27.456 1.00 0.00 O ATOM 923 O5' U B 518 -4.299 4.621 -27.700 1.00 0.00 O ATOM 924 C5' U B 518 -4.799 5.581 -28.629 1.00 0.00 C ATOM 925 C4' U B 518 -6.311 5.571 -28.620 1.00 0.00 C ATOM 926 O4' U B 518 -6.761 4.272 -29.047 1.00 0.00 O ATOM 927 C3' U B 518 -6.932 5.359 -27.242 1.00 0.00 C ATOM 928 O3' U B 518 -6.913 6.589 -26.520 1.00 0.00 O ATOM 929 C2' U B 518 -8.338 4.897 -27.508 1.00 0.00 C ATOM 930 O2' U B 518 -9.043 6.111 -27.643 1.00 0.00 O ATOM 931 C1' U B 518 -8.139 4.107 -28.798 1.00 0.00 C ATOM 932 N1 U B 518 -8.491 2.677 -28.674 1.00 0.00 N ATOM 933 C2 U B 518 -9.607 2.272 -29.340 1.00 0.00 C ATOM 934 O2 U B 518 -10.303 3.016 -30.012 1.00 0.00 O ATOM 935 N3 U B 518 -9.937 0.939 -29.226 1.00 0.00 N ATOM 936 C4 U B 518 -9.211 0.037 -28.492 1.00 0.00 C ATOM 937 O4 U B 518 -9.599 -1.130 -28.460 1.00 0.00 O ATOM 938 C5 U B 518 -8.055 0.514 -27.817 1.00 0.00 C ATOM 939 C6 U B 518 -7.753 1.808 -27.941 1.00 0.00 C ATOM 0 H5' U B 518 -4.432 5.356 -29.630 1.00 0.00 H new ATOM 0 H5'' U B 518 -4.432 6.574 -28.371 1.00 0.00 H new ATOM 0 H4' U B 518 -6.560 6.489 -29.153 1.00 0.00 H new ATOM 0 H3' U B 518 -6.391 4.630 -26.639 1.00 0.00 H new ATOM 0 H2' U B 518 -8.873 4.282 -26.785 1.00 0.00 H new ATOM 0 HO2' U B 518 -8.560 6.823 -27.174 1.00 0.00 H new ATOM 0 H1' U B 518 -8.787 4.461 -29.600 1.00 0.00 H new ATOM 0 H3 U B 518 -10.768 0.605 -29.715 1.00 0.00 H new ATOM 0 H5 U B 518 -7.442 -0.148 -27.224 1.00 0.00 H new ATOM 0 H6 U B 518 -6.877 2.181 -27.432 1.00 0.00 H new ATOM 950 P U B 519 -5.760 6.867 -25.446 1.00 0.00 P ATOM 951 OP1 U B 519 -4.948 8.028 -25.875 1.00 0.00 O ATOM 952 OP2 U B 519 -5.044 5.607 -25.145 1.00 0.00 O ATOM 953 O5' U B 519 -6.580 7.294 -24.140 1.00 0.00 O ATOM 954 C5' U B 519 -8.005 7.316 -24.168 1.00 0.00 C ATOM 955 C4' U B 519 -8.557 6.994 -22.799 1.00 0.00 C ATOM 956 O4' U B 519 -8.288 5.620 -22.466 1.00 0.00 O ATOM 957 C3' U B 519 -7.790 7.631 -21.644 1.00 0.00 C ATOM 958 O3' U B 519 -8.313 8.934 -21.388 1.00 0.00 O ATOM 959 C2' U B 519 -8.002 6.713 -20.472 1.00 0.00 C ATOM 960 O2' U B 519 -9.304 7.046 -20.048 1.00 0.00 O ATOM 961 C1' U B 519 -7.860 5.352 -21.148 1.00 0.00 C ATOM 962 N1 U B 519 -6.479 4.827 -21.132 1.00 0.00 N ATOM 963 C2 U B 519 -6.010 4.400 -19.928 1.00 0.00 C ATOM 964 O2 U B 519 -6.663 4.433 -18.897 1.00 0.00 O ATOM 965 N3 U B 519 -4.723 3.909 -19.911 1.00 0.00 N ATOM 966 C4 U B 519 -3.924 3.837 -21.023 1.00 0.00 C ATOM 967 O4 U B 519 -2.789 3.380 -20.889 1.00 0.00 O ATOM 968 C5 U B 519 -4.462 4.295 -22.254 1.00 0.00 C ATOM 969 C6 U B 519 -5.711 4.767 -22.248 1.00 0.00 C ATOM 0 H5' U B 519 -8.373 6.593 -24.896 1.00 0.00 H new ATOM 0 H5'' U B 519 -8.355 8.297 -24.488 1.00 0.00 H new ATOM 0 H4' U B 519 -9.596 7.313 -22.880 1.00 0.00 H new ATOM 0 H3' U B 519 -6.728 7.752 -21.856 1.00 0.00 H new ATOM 0 H2' U B 519 -7.349 6.756 -19.600 1.00 0.00 H new ATOM 0 HO2' U B 519 -9.264 7.814 -19.441 1.00 0.00 H new ATOM 0 H1' U B 519 -8.433 4.579 -20.637 1.00 0.00 H new ATOM 0 H3 U B 519 -4.344 3.581 -19.023 1.00 0.00 H new ATOM 0 H5 U B 519 -3.881 4.263 -23.164 1.00 0.00 H new ATOM 0 H6 U B 519 -6.131 5.119 -23.179 1.00 0.00 H new ATOM 980 P U B 520 -7.714 9.815 -20.194 1.00 0.00 P ATOM 981 OP1 U B 520 -6.276 10.067 -20.434 1.00 0.00 O ATOM 982 OP2 U B 520 -8.096 9.219 -18.895 1.00 0.00 O ATOM 983 O5' U B 520 -8.493 11.205 -20.348 1.00 0.00 O ATOM 984 C5' U B 520 -7.834 12.429 -20.035 1.00 0.00 C ATOM 985 C4' U B 520 -7.636 13.249 -21.290 1.00 0.00 C ATOM 986 O4' U B 520 -7.919 12.347 -22.377 1.00 0.00 O ATOM 987 C3' U B 520 -8.814 14.151 -21.646 1.00 0.00 C ATOM 988 O3' U B 520 -8.697 15.385 -20.941 1.00 0.00 O ATOM 989 C2' U B 520 -8.724 14.353 -23.134 1.00 0.00 C ATOM 990 O2' U B 520 -7.730 15.347 -23.251 1.00 0.00 O ATOM 991 C1' U B 520 -8.311 12.957 -23.587 1.00 0.00 C ATOM 992 N1 U B 520 -9.403 12.201 -24.235 1.00 0.00 N ATOM 993 C2 U B 520 -9.120 11.657 -25.451 1.00 0.00 C ATOM 994 O2 U B 520 -8.038 11.766 -26.006 1.00 0.00 O ATOM 995 N3 U B 520 -10.136 10.952 -26.058 1.00 0.00 N ATOM 996 C4 U B 520 -11.379 10.783 -25.503 1.00 0.00 C ATOM 997 O4 U B 520 -12.210 10.134 -26.136 1.00 0.00 O ATOM 998 C5 U B 520 -11.621 11.371 -24.234 1.00 0.00 C ATOM 999 C6 U B 520 -10.623 12.050 -23.663 1.00 0.00 C ATOM 0 H5' U B 520 -6.870 12.223 -19.570 1.00 0.00 H new ATOM 0 H5'' U B 520 -8.423 12.993 -19.312 1.00 0.00 H new ATOM 0 H4' U B 520 -6.679 13.752 -21.152 1.00 0.00 H new ATOM 0 H3' U B 520 -9.777 13.721 -21.371 1.00 0.00 H new ATOM 0 H2' U B 520 -9.590 14.679 -23.710 1.00 0.00 H new ATOM 0 HO2' U B 520 -7.601 15.784 -22.383 1.00 0.00 H new ATOM 0 H1' U B 520 -7.532 12.987 -24.349 1.00 0.00 H new ATOM 0 H3 U B 520 -9.954 10.533 -26.970 1.00 0.00 H new ATOM 0 H5 U B 520 -12.580 11.273 -23.747 1.00 0.00 H new ATOM 0 H6 U B 520 -10.796 12.501 -22.697 1.00 0.00 H new ATOM 1010 P G B 521 -9.214 15.496 -19.432 1.00 0.00 P ATOM 1011 OP1 G B 521 -9.791 16.838 -19.200 1.00 0.00 O ATOM 1012 OP2 G B 521 -8.153 15.040 -18.506 1.00 0.00 O ATOM 1013 O5' G B 521 -10.405 14.429 -19.380 1.00 0.00 O ATOM 1014 C5' G B 521 -11.756 14.861 -19.542 1.00 0.00 C ATOM 1015 C4' G B 521 -12.693 13.918 -18.821 1.00 0.00 C ATOM 1016 O4' G B 521 -12.658 12.616 -19.483 1.00 0.00 O ATOM 1017 C3' G B 521 -12.109 13.294 -17.557 1.00 0.00 C ATOM 1018 O3' G B 521 -12.166 14.240 -16.491 1.00 0.00 O ATOM 1019 C2' G B 521 -12.967 12.092 -17.274 1.00 0.00 C ATOM 1020 O2' G B 521 -14.005 12.630 -16.486 1.00 0.00 O ATOM 1021 C1' G B 521 -13.363 11.687 -18.691 1.00 0.00 C ATOM 1022 N9 G B 521 -12.987 10.298 -19.034 1.00 0.00 N ATOM 1023 C8 G B 521 -11.780 9.716 -18.880 1.00 0.00 C ATOM 1024 N7 G B 521 -11.766 8.450 -19.286 1.00 0.00 N ATOM 1025 C5 G B 521 -13.046 8.231 -19.721 1.00 0.00 C ATOM 1026 C6 G B 521 -13.665 7.086 -20.267 1.00 0.00 C ATOM 1027 O6 G B 521 -13.115 6.003 -20.462 1.00 0.00 O ATOM 1028 N1 G B 521 -14.979 7.187 -20.608 1.00 0.00 N ATOM 1029 C2 G B 521 -15.609 8.366 -20.404 1.00 0.00 C ATOM 1030 N2 G B 521 -16.883 8.305 -20.786 1.00 0.00 N ATOM 1031 N3 G B 521 -15.122 9.512 -19.895 1.00 0.00 N ATOM 1032 C4 G B 521 -13.809 9.346 -19.576 1.00 0.00 C ATOM 0 H5' G B 521 -12.009 14.898 -20.601 1.00 0.00 H new ATOM 0 H5'' G B 521 -11.872 15.872 -19.150 1.00 0.00 H new ATOM 0 H4' G B 521 -13.600 14.516 -18.731 1.00 0.00 H new ATOM 0 H3' G B 521 -11.064 13.007 -17.670 1.00 0.00 H new ATOM 0 H2' G B 521 -12.565 11.227 -16.747 1.00 0.00 H new ATOM 0 HO2' G B 521 -13.683 13.432 -16.025 1.00 0.00 H new ATOM 0 H1' G B 521 -14.443 11.703 -18.835 1.00 0.00 H new ATOM 0 H8 G B 521 -10.919 10.223 -18.471 1.00 0.00 H new ATOM 0 H1 G B 521 -15.477 6.392 -21.008 1.00 0.00 H new ATOM 0 H21 G B 521 -17.484 9.124 -20.691 1.00 0.00 H new ATOM 0 H22 G B 521 -17.258 7.439 -21.174 1.00 0.00 H new ATOM 1044 P C B 522 -10.815 14.849 -15.888 1.00 0.00 P ATOM 1045 OP1 C B 522 -10.743 16.296 -16.189 1.00 0.00 O ATOM 1046 OP2 C B 522 -9.665 14.009 -16.292 1.00 0.00 O ATOM 1047 O5' C B 522 -11.018 14.682 -14.309 1.00 0.00 O ATOM 1048 C5' C B 522 -9.887 14.667 -13.442 1.00 0.00 C ATOM 1049 C4' C B 522 -10.329 14.845 -12.007 1.00 0.00 C ATOM 1050 O4' C B 522 -11.761 14.987 -12.048 1.00 0.00 O ATOM 1051 C3' C B 522 -10.431 13.545 -11.213 1.00 0.00 C ATOM 1052 O3' C B 522 -9.143 13.196 -10.708 1.00 0.00 O ATOM 1053 C2' C B 522 -11.400 13.835 -10.102 1.00 0.00 C ATOM 1054 O2' C B 522 -10.595 14.501 -9.154 1.00 0.00 O ATOM 1055 C1' C B 522 -12.415 14.712 -10.830 1.00 0.00 C ATOM 1056 N1 C B 522 -13.713 14.043 -11.059 1.00 0.00 N ATOM 1057 C2 C B 522 -14.833 14.564 -10.412 1.00 0.00 C ATOM 1058 O2 C B 522 -14.689 15.551 -9.682 1.00 0.00 O ATOM 1059 N3 C B 522 -16.026 13.973 -10.606 1.00 0.00 N ATOM 1060 C4 C B 522 -16.160 12.921 -11.387 1.00 0.00 C ATOM 1061 N4 C B 522 -17.346 12.352 -11.565 1.00 0.00 N ATOM 1062 C5 C B 522 -15.016 12.362 -12.070 1.00 0.00 C ATOM 1063 C6 C B 522 -13.834 12.962 -11.868 1.00 0.00 C ATOM 0 H5' C B 522 -9.196 15.463 -13.719 1.00 0.00 H new ATOM 0 H5'' C B 522 -9.348 13.726 -13.551 1.00 0.00 H new ATOM 0 H4' C B 522 -9.657 15.605 -11.608 1.00 0.00 H new ATOM 0 H3' C B 522 -10.772 12.704 -11.816 1.00 0.00 H new ATOM 0 H2' C B 522 -11.921 13.028 -9.587 1.00 0.00 H new ATOM 0 HO2' C B 522 -9.650 14.375 -9.381 1.00 0.00 H new ATOM 0 H1' C B 522 -12.682 15.598 -10.253 1.00 0.00 H new ATOM 0 H41 C B 522 -17.435 11.538 -12.173 1.00 0.00 H new ATOM 0 H42 C B 522 -18.168 12.729 -11.094 1.00 0.00 H new ATOM 0 H5 C B 522 -15.109 11.500 -12.714 1.00 0.00 H new ATOM 0 H6 C B 522 -12.956 12.574 -12.363 1.00 0.00 H new ATOM 1075 P U B 523 -8.099 12.426 -11.644 1.00 0.00 P ATOM 1076 OP1 U B 523 -7.298 13.407 -12.411 1.00 0.00 O ATOM 1077 OP2 U B 523 -8.799 11.370 -12.410 1.00 0.00 O ATOM 1078 O5' U B 523 -7.130 11.712 -10.591 1.00 0.00 O ATOM 1079 C5' U B 523 -6.968 12.262 -9.285 1.00 0.00 C ATOM 1080 C4' U B 523 -5.523 12.645 -9.057 1.00 0.00 C ATOM 1081 O4' U B 523 -4.745 11.421 -8.813 1.00 0.00 O ATOM 1082 C3' U B 523 -4.839 13.274 -10.269 1.00 0.00 C ATOM 1083 O3' U B 523 -4.595 14.664 -10.006 1.00 0.00 O ATOM 1084 C2' U B 523 -3.557 12.509 -10.443 1.00 0.00 C ATOM 1085 O2' U B 523 -2.668 13.197 -9.591 1.00 0.00 O ATOM 1086 C1' U B 523 -3.984 11.125 -9.964 1.00 0.00 C ATOM 1087 N1 U B 523 -4.785 10.379 -10.956 1.00 0.00 N ATOM 1088 C2 U B 523 -5.764 9.573 -10.459 1.00 0.00 C ATOM 1089 O2 U B 523 -5.996 9.446 -9.268 1.00 0.00 O ATOM 1090 N3 U B 523 -6.512 8.877 -11.383 1.00 0.00 N ATOM 1091 C4 U B 523 -6.315 8.963 -12.738 1.00 0.00 C ATOM 1092 O4 U B 523 -7.044 8.295 -13.470 1.00 0.00 O ATOM 1093 C5 U B 523 -5.282 9.819 -13.203 1.00 0.00 C ATOM 1094 C6 U B 523 -4.569 10.483 -12.291 1.00 0.00 C ATOM 0 H5' U B 523 -7.282 11.536 -8.535 1.00 0.00 H new ATOM 0 H5'' U B 523 -7.607 13.138 -9.169 1.00 0.00 H new ATOM 0 H4' U B 523 -5.546 13.358 -8.233 1.00 0.00 H new ATOM 0 H3' U B 523 -5.444 13.224 -11.174 1.00 0.00 H new ATOM 0 H2' U B 523 -3.082 12.424 -11.420 1.00 0.00 H new ATOM 0 HO2' U B 523 -3.050 14.068 -9.354 1.00 0.00 H new ATOM 0 HO3' U B 523 -4.154 15.071 -10.781 1.00 0.00 H new ATOM 0 H1' U B 523 -3.130 10.473 -9.783 1.00 0.00 H new ATOM 0 H3 U B 523 -7.253 8.264 -11.041 1.00 0.00 H new ATOM 0 H5 U B 523 -5.080 9.929 -14.258 1.00 0.00 H new ATOM 0 H6 U B 523 -3.780 11.136 -12.633 1.00 0.00 H new TER 1105 U B 523 HETATM 1106 ZN ZN A 57 -14.002 -0.277 -23.150 1.00 0.00 ZN