USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=20 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 37 LYS NZ :NH3+ -160:sc= 0.00562 (180deg=0) USER MOD Set 1.2: B 519 U O2' : rot -102:sc= 0.856 USER MOD Set 2.1: A 20 GLN : amide:sc= 0.12 X(o=0.23,f=-0.034) USER MOD Set 2.2: A 25 GLN : amide:sc= 0.106 X(o=0.23,f=-0.034) USER MOD Set 3.1: A 9 GLN : amide:sc= -0.468 K(o=-0.49,f=-2.2!) USER MOD Set 3.2: A 52 GLN : amide:sc= -0.0223 X(o=-0.49,f=-0.51) USER MOD Single : A 1 ALA N :NH3+ -115:sc= 0.154 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 65:sc= 0.0797 USER MOD Single : A 7 GLN : amide:sc= -0.239 K(o=-0.24,f=-2.8!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.0023 X(o=-0.0023,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot -85:sc= 1.46 USER MOD Single : A 30 LYS NZ :NH3+ 169:sc= 0.438 (180deg=0.418) USER MOD Single : A 32 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0364) USER MOD Single : A 41 LYS NZ :NH3+ -164:sc= 1.36 (180deg=1.23) USER MOD Single : A 42 LYS NZ :NH3+ 147:sc= 2.02 (180deg=0.693) 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 -37:sc= 0.404 USER MOD Single : B 518 U O2' : rot -16:sc= 0.615 USER MOD Single : B 520 U O2' : rot -7:sc= 0.304 USER MOD Single : B 521 G O2' : rot -20:sc= -0.705! USER MOD Single : B 522 C O2' : rot -14:sc= 0.374 USER MOD Single : B 523 U O2' : rot -37:sc= 0.387 USER MOD Single : B 523 U O3' : rot 180:sc= 0.273 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 12.351 12.664 16.245 1.00 0.00 N ATOM 2 CA ALA A 1 11.258 12.210 15.402 1.00 0.00 C ATOM 3 C ALA A 1 11.557 12.573 13.946 1.00 0.00 C ATOM 4 O ALA A 1 12.504 13.307 13.668 1.00 0.00 O ATOM 5 CB ALA A 1 9.944 12.819 15.896 1.00 0.00 C ATOM 0 H1 ALA A 1 12.827 11.842 16.669 1.00 0.00 H new ATOM 0 H2 ALA A 1 13.033 13.200 15.671 1.00 0.00 H new ATOM 0 H3 ALA A 1 11.977 13.275 16.999 1.00 0.00 H new ATOM 0 HA ALA A 1 11.156 11.126 15.458 1.00 0.00 H new ATOM 0 HB1 ALA A 1 9.124 12.478 15.263 1.00 0.00 H new ATOM 0 HB2 ALA A 1 9.762 12.507 16.924 1.00 0.00 H new ATOM 0 HB3 ALA A 1 10.008 13.906 15.853 1.00 0.00 H new ATOM 11 N THR A 2 10.733 12.042 13.055 1.00 0.00 N ATOM 12 CA THR A 2 10.899 12.301 11.635 1.00 0.00 C ATOM 13 C THR A 2 9.659 11.844 10.862 1.00 0.00 C ATOM 14 O THR A 2 9.206 10.712 11.021 1.00 0.00 O ATOM 15 CB THR A 2 12.187 11.615 11.176 1.00 0.00 C ATOM 16 OG1 THR A 2 12.283 11.946 9.794 1.00 0.00 O ATOM 17 CG2 THR A 2 12.075 10.090 11.186 1.00 0.00 C ATOM 0 H THR A 2 9.948 11.434 13.289 1.00 0.00 H new ATOM 0 HA THR A 2 10.994 13.368 11.436 1.00 0.00 H new ATOM 0 HB THR A 2 13.010 11.922 11.821 1.00 0.00 H new ATOM 0 HG1 THR A 2 13.092 11.542 9.416 1.00 0.00 H new ATOM 0 HG21 THR A 2 13.016 9.654 10.852 1.00 0.00 H new ATOM 0 HG22 THR A 2 11.855 9.748 12.197 1.00 0.00 H new ATOM 0 HG23 THR A 2 11.273 9.780 10.516 1.00 0.00 H new ATOM 25 N VAL A 3 9.146 12.750 10.042 1.00 0.00 N ATOM 26 CA VAL A 3 7.967 12.455 9.245 1.00 0.00 C ATOM 27 C VAL A 3 8.144 13.046 7.845 1.00 0.00 C ATOM 28 O VAL A 3 8.663 14.151 7.694 1.00 0.00 O ATOM 29 CB VAL A 3 6.712 12.966 9.956 1.00 0.00 C ATOM 30 CG1 VAL A 3 6.691 14.495 9.997 1.00 0.00 C ATOM 31 CG2 VAL A 3 5.447 12.417 9.295 1.00 0.00 C ATOM 0 H VAL A 3 9.525 13.688 9.912 1.00 0.00 H new ATOM 0 HA VAL A 3 7.842 11.378 9.131 1.00 0.00 H new ATOM 0 HB VAL A 3 6.737 12.604 10.984 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.789 14.833 10.507 1.00 0.00 H new ATOM 0 HG12 VAL A 3 7.568 14.857 10.533 1.00 0.00 H new ATOM 0 HG13 VAL A 3 6.700 14.886 8.980 1.00 0.00 H new ATOM 0 HG21 VAL A 3 4.569 12.795 9.819 1.00 0.00 H new ATOM 0 HG22 VAL A 3 5.413 12.736 8.253 1.00 0.00 H new ATOM 0 HG23 VAL A 3 5.456 11.328 9.341 1.00 0.00 H new ATOM 41 N VAL A 4 7.703 12.284 6.855 1.00 0.00 N ATOM 42 CA VAL A 4 7.805 12.718 5.473 1.00 0.00 C ATOM 43 C VAL A 4 6.599 12.196 4.687 1.00 0.00 C ATOM 44 O VAL A 4 6.267 11.014 4.765 1.00 0.00 O ATOM 45 CB VAL A 4 9.142 12.269 4.880 1.00 0.00 C ATOM 46 CG1 VAL A 4 9.365 10.771 5.101 1.00 0.00 C ATOM 47 CG2 VAL A 4 9.232 12.624 3.395 1.00 0.00 C ATOM 0 H VAL A 4 7.274 11.368 6.983 1.00 0.00 H new ATOM 0 HA VAL A 4 7.786 13.806 5.414 1.00 0.00 H new ATOM 0 HB VAL A 4 9.935 12.806 5.400 1.00 0.00 H new ATOM 0 HG11 VAL A 4 10.322 10.478 4.670 1.00 0.00 H new ATOM 0 HG12 VAL A 4 9.368 10.557 6.170 1.00 0.00 H new ATOM 0 HG13 VAL A 4 8.564 10.209 4.621 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.192 12.293 2.999 1.00 0.00 H new ATOM 0 HG22 VAL A 4 8.426 12.129 2.853 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.141 13.703 3.273 1.00 0.00 H new ATOM 57 N SER A 5 5.977 13.103 3.950 1.00 0.00 N ATOM 58 CA SER A 5 4.815 12.750 3.152 1.00 0.00 C ATOM 59 C SER A 5 4.292 13.985 2.414 1.00 0.00 C ATOM 60 O SER A 5 3.928 14.979 3.040 1.00 0.00 O ATOM 61 CB SER A 5 3.711 12.145 4.023 1.00 0.00 C ATOM 62 OG SER A 5 3.502 10.765 3.736 1.00 0.00 O ATOM 0 H SER A 5 6.255 14.082 3.888 1.00 0.00 H new ATOM 0 HA SER A 5 5.117 11.999 2.422 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.974 12.261 5.074 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.782 12.693 3.864 1.00 0.00 H new ATOM 0 HG SER A 5 4.304 10.256 3.978 1.00 0.00 H new ATOM 68 N GLY A 6 4.271 13.879 1.094 1.00 0.00 N ATOM 69 CA GLY A 6 3.799 14.975 0.264 1.00 0.00 C ATOM 70 C GLY A 6 2.825 14.472 -0.805 1.00 0.00 C ATOM 71 O GLY A 6 2.128 13.480 -0.598 1.00 0.00 O ATOM 0 H GLY A 6 4.573 13.052 0.579 1.00 0.00 H new ATOM 0 HA2 GLY A 6 3.307 15.722 0.887 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.647 15.466 -0.213 1.00 0.00 H new ATOM 75 N GLN A 7 2.808 15.181 -1.924 1.00 0.00 N ATOM 76 CA GLN A 7 1.931 14.820 -3.025 1.00 0.00 C ATOM 77 C GLN A 7 2.131 15.780 -4.199 1.00 0.00 C ATOM 78 O GLN A 7 2.622 16.893 -4.019 1.00 0.00 O ATOM 79 CB GLN A 7 0.468 14.799 -2.577 1.00 0.00 C ATOM 80 CG GLN A 7 -0.003 16.199 -2.178 1.00 0.00 C ATOM 81 CD GLN A 7 -0.957 16.136 -0.984 1.00 0.00 C ATOM 82 OE1 GLN A 7 -1.192 15.093 -0.398 1.00 0.00 O ATOM 83 NE2 GLN A 7 -1.493 17.310 -0.656 1.00 0.00 N ATOM 0 H GLN A 7 3.387 16.004 -2.092 1.00 0.00 H new ATOM 0 HA GLN A 7 2.190 13.814 -3.355 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -0.158 14.417 -3.384 1.00 0.00 H new ATOM 0 HB3 GLN A 7 0.352 14.118 -1.734 1.00 0.00 H new ATOM 0 HG2 GLN A 7 0.858 16.819 -1.928 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -0.503 16.673 -3.023 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -1.254 18.146 -1.189 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -2.143 17.373 0.128 1.00 0.00 H new ATOM 92 N LYS A 8 1.739 15.314 -5.377 1.00 0.00 N ATOM 93 CA LYS A 8 1.870 16.118 -6.581 1.00 0.00 C ATOM 94 C LYS A 8 0.909 15.588 -7.648 1.00 0.00 C ATOM 95 O LYS A 8 1.342 15.083 -8.682 1.00 0.00 O ATOM 96 CB LYS A 8 3.329 16.167 -7.037 1.00 0.00 C ATOM 97 CG LYS A 8 3.503 17.127 -8.215 1.00 0.00 C ATOM 98 CD LYS A 8 4.697 16.722 -9.081 1.00 0.00 C ATOM 99 CE LYS A 8 5.495 17.949 -9.527 1.00 0.00 C ATOM 100 NZ LYS A 8 5.490 18.063 -11.002 1.00 0.00 N ATOM 0 H LYS A 8 1.331 14.391 -5.523 1.00 0.00 H new ATOM 0 HA LYS A 8 1.589 17.152 -6.382 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.962 16.484 -6.208 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.657 15.168 -7.325 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.596 17.134 -8.820 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.646 18.142 -7.844 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.344 16.047 -8.521 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.347 16.174 -9.956 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.067 18.849 -9.085 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.521 17.874 -9.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.036 18.901 -11.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.920 17.212 -11.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 4.511 18.156 -11.340 1.00 0.00 H new ATOM 114 N GLN A 9 -0.376 15.723 -7.360 1.00 0.00 N ATOM 115 CA GLN A 9 -1.402 15.265 -8.282 1.00 0.00 C ATOM 116 C GLN A 9 -2.034 16.454 -9.007 1.00 0.00 C ATOM 117 O GLN A 9 -2.469 17.413 -8.371 1.00 0.00 O ATOM 118 CB GLN A 9 -2.465 14.438 -7.553 1.00 0.00 C ATOM 119 CG GLN A 9 -3.326 13.656 -8.547 1.00 0.00 C ATOM 120 CD GLN A 9 -2.584 12.420 -9.060 1.00 0.00 C ATOM 121 OE1 GLN A 9 -1.371 12.316 -8.983 1.00 0.00 O ATOM 122 NE2 GLN A 9 -3.379 11.492 -9.586 1.00 0.00 N ATOM 0 H GLN A 9 -0.731 16.143 -6.501 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.933 14.620 -9.025 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -1.983 13.747 -6.862 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -3.098 15.096 -6.957 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -4.257 13.353 -8.068 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -3.594 14.298 -9.386 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -4.387 11.643 -9.619 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -2.980 10.629 -9.956 1.00 0.00 H new ATOM 131 N ASP A 10 -2.065 16.353 -10.327 1.00 0.00 N ATOM 132 CA ASP A 10 -2.637 17.409 -11.145 1.00 0.00 C ATOM 133 C ASP A 10 -2.575 16.997 -12.618 1.00 0.00 C ATOM 134 O ASP A 10 -1.520 17.077 -13.245 1.00 0.00 O ATOM 135 CB ASP A 10 -1.854 18.713 -10.987 1.00 0.00 C ATOM 136 CG ASP A 10 -2.559 19.961 -11.523 1.00 0.00 C ATOM 137 OD1 ASP A 10 -3.809 19.962 -11.495 1.00 0.00 O ATOM 138 OD2 ASP A 10 -1.833 20.884 -11.950 1.00 0.00 O ATOM 0 H ASP A 10 -1.703 15.556 -10.851 1.00 0.00 H new ATOM 0 HA ASP A 10 -3.667 17.565 -10.823 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -1.637 18.863 -9.929 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -0.896 18.608 -11.497 1.00 0.00 H new ATOM 143 N ARG A 11 -3.719 16.564 -13.126 1.00 0.00 N ATOM 144 CA ARG A 11 -3.809 16.140 -14.513 1.00 0.00 C ATOM 145 C ARG A 11 -3.743 17.352 -15.444 1.00 0.00 C ATOM 146 O ARG A 11 -2.877 17.424 -16.315 1.00 0.00 O ATOM 147 CB ARG A 11 -5.109 15.377 -14.773 1.00 0.00 C ATOM 148 CG ARG A 11 -4.822 13.946 -15.234 1.00 0.00 C ATOM 149 CD ARG A 11 -4.976 13.819 -16.751 1.00 0.00 C ATOM 150 NE ARG A 11 -3.861 13.020 -17.307 1.00 0.00 N ATOM 151 CZ ARG A 11 -2.613 13.480 -17.467 1.00 0.00 C ATOM 152 NH1 ARG A 11 -2.312 14.737 -17.113 1.00 0.00 N ATOM 153 NH2 ARG A 11 -1.665 12.684 -17.980 1.00 0.00 N ATOM 0 H ARG A 11 -4.592 16.498 -12.602 1.00 0.00 H new ATOM 0 HA ARG A 11 -2.966 15.478 -14.712 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.711 15.356 -13.864 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.695 15.897 -15.531 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -3.811 13.662 -14.942 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.503 13.256 -14.736 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.928 13.346 -16.990 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.989 14.809 -17.208 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.055 12.058 -17.586 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -3.033 15.343 -16.722 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -1.362 15.087 -17.235 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.893 11.727 -18.249 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -0.715 13.035 -18.101 1.00 0.00 H new ATOM 167 N GLN A 12 -4.669 18.275 -15.230 1.00 0.00 N ATOM 168 CA GLN A 12 -4.727 19.480 -16.039 1.00 0.00 C ATOM 169 C GLN A 12 -4.548 19.134 -17.519 1.00 0.00 C ATOM 170 O GLN A 12 -3.484 19.369 -18.090 1.00 0.00 O ATOM 171 CB GLN A 12 -3.679 20.498 -15.584 1.00 0.00 C ATOM 172 CG GLN A 12 -4.091 21.920 -15.970 1.00 0.00 C ATOM 173 CD GLN A 12 -4.266 22.796 -14.729 1.00 0.00 C ATOM 174 OE1 GLN A 12 -5.209 22.656 -13.967 1.00 0.00 O ATOM 175 NE2 GLN A 12 -3.310 23.706 -14.569 1.00 0.00 N ATOM 0 H GLN A 12 -5.386 18.212 -14.507 1.00 0.00 H new ATOM 0 HA GLN A 12 -5.709 19.935 -15.907 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -3.550 20.434 -14.504 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -2.716 20.260 -16.035 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.336 22.356 -16.624 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -5.023 21.892 -16.534 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -2.548 23.770 -15.244 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -3.338 24.340 -13.771 1.00 0.00 H new ATOM 184 N GLY A 13 -5.605 18.583 -18.097 1.00 0.00 N ATOM 185 CA GLY A 13 -5.578 18.204 -19.500 1.00 0.00 C ATOM 186 C GLY A 13 -6.275 19.254 -20.366 1.00 0.00 C ATOM 187 O GLY A 13 -6.264 20.440 -20.040 1.00 0.00 O ATOM 0 H GLY A 13 -6.486 18.390 -17.620 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.545 18.084 -19.828 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -6.067 17.239 -19.629 1.00 0.00 H new ATOM 191 N GLY A 14 -6.866 18.780 -21.454 1.00 0.00 N ATOM 192 CA GLY A 14 -7.568 19.664 -22.370 1.00 0.00 C ATOM 193 C GLY A 14 -8.994 19.933 -21.886 1.00 0.00 C ATOM 194 O GLY A 14 -9.595 19.095 -21.215 1.00 0.00 O ATOM 0 H GLY A 14 -6.873 17.796 -21.722 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.027 20.606 -22.459 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.595 19.217 -23.364 1.00 0.00 H new ATOM 198 N GLU A 15 -9.496 21.105 -22.247 1.00 0.00 N ATOM 199 CA GLU A 15 -10.841 21.496 -21.860 1.00 0.00 C ATOM 200 C GLU A 15 -11.832 21.169 -22.978 1.00 0.00 C ATOM 201 O GLU A 15 -11.567 21.446 -24.147 1.00 0.00 O ATOM 202 CB GLU A 15 -10.896 22.980 -21.493 1.00 0.00 C ATOM 203 CG GLU A 15 -11.984 23.247 -20.451 1.00 0.00 C ATOM 204 CD GLU A 15 -11.460 24.148 -19.330 1.00 0.00 C ATOM 205 OE1 GLU A 15 -10.559 23.681 -18.600 1.00 0.00 O ATOM 206 OE2 GLU A 15 -11.972 25.284 -19.230 1.00 0.00 O ATOM 0 H GLU A 15 -8.995 21.797 -22.804 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.123 20.926 -20.975 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.929 23.298 -21.104 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.090 23.572 -22.387 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -12.843 23.718 -20.929 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -12.331 22.303 -20.031 1.00 0.00 H new ATOM 213 N ARG A 16 -12.952 20.584 -22.580 1.00 0.00 N ATOM 214 CA ARG A 16 -13.985 20.217 -23.535 1.00 0.00 C ATOM 215 C ARG A 16 -13.369 19.472 -24.721 1.00 0.00 C ATOM 216 O ARG A 16 -13.039 20.081 -25.739 1.00 0.00 O ATOM 217 CB ARG A 16 -14.725 21.454 -24.048 1.00 0.00 C ATOM 218 CG ARG A 16 -16.100 21.583 -23.389 1.00 0.00 C ATOM 219 CD ARG A 16 -16.665 22.992 -23.570 1.00 0.00 C ATOM 220 NE ARG A 16 -15.995 23.930 -22.642 1.00 0.00 N ATOM 221 CZ ARG A 16 -16.382 25.198 -22.444 1.00 0.00 C ATOM 222 NH1 ARG A 16 -17.440 25.686 -23.107 1.00 0.00 N ATOM 223 NH2 ARG A 16 -15.714 25.976 -21.584 1.00 0.00 N ATOM 0 H ARG A 16 -13.167 20.355 -21.610 1.00 0.00 H new ATOM 0 HA ARG A 16 -14.696 19.569 -23.023 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -14.134 22.347 -23.843 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -14.841 21.390 -25.130 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -16.785 20.854 -23.823 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -16.021 21.353 -22.327 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -16.521 23.321 -24.599 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -17.739 22.989 -23.384 1.00 0.00 H new ATOM 0 HE ARG A 16 -15.187 23.590 -22.120 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -17.950 25.093 -23.761 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -17.735 26.651 -22.957 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -14.910 25.604 -21.079 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -16.009 26.941 -21.434 1.00 0.00 H new ATOM 237 N ARG A 17 -13.233 18.165 -24.551 1.00 0.00 N ATOM 238 CA ARG A 17 -12.663 17.330 -25.595 1.00 0.00 C ATOM 239 C ARG A 17 -12.902 15.851 -25.282 1.00 0.00 C ATOM 240 O ARG A 17 -12.230 15.278 -24.426 1.00 0.00 O ATOM 241 CB ARG A 17 -11.160 17.576 -25.738 1.00 0.00 C ATOM 242 CG ARG A 17 -10.834 18.197 -27.098 1.00 0.00 C ATOM 243 CD ARG A 17 -9.897 19.396 -26.944 1.00 0.00 C ATOM 244 NE ARG A 17 -9.767 20.107 -28.235 1.00 0.00 N ATOM 245 CZ ARG A 17 -9.174 21.300 -28.380 1.00 0.00 C ATOM 246 NH1 ARG A 17 -8.651 21.922 -27.314 1.00 0.00 N ATOM 247 NH2 ARG A 17 -9.103 21.870 -29.591 1.00 0.00 N ATOM 0 H ARG A 17 -13.508 17.664 -23.706 1.00 0.00 H new ATOM 0 HA ARG A 17 -13.154 17.591 -26.533 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.818 18.237 -24.941 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.621 16.635 -25.625 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -10.370 17.449 -27.741 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -11.755 18.512 -27.588 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.283 20.074 -26.183 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -8.917 19.061 -26.604 1.00 0.00 H new ATOM 0 HE ARG A 17 -10.153 19.661 -29.067 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -8.704 21.487 -26.393 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -8.200 22.830 -27.424 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -9.500 21.396 -30.402 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.652 22.778 -29.702 1.00 0.00 H new ATOM 261 N ARG A 18 -13.863 15.277 -25.991 1.00 0.00 N ATOM 262 CA ARG A 18 -14.199 13.876 -25.799 1.00 0.00 C ATOM 263 C ARG A 18 -14.611 13.243 -27.129 1.00 0.00 C ATOM 264 O ARG A 18 -15.797 13.035 -27.381 1.00 0.00 O ATOM 265 CB ARG A 18 -15.340 13.717 -24.791 1.00 0.00 C ATOM 266 CG ARG A 18 -14.812 13.758 -23.356 1.00 0.00 C ATOM 267 CD ARG A 18 -15.823 14.423 -22.418 1.00 0.00 C ATOM 268 NE ARG A 18 -17.067 13.623 -22.368 1.00 0.00 N ATOM 269 CZ ARG A 18 -18.264 14.118 -22.024 1.00 0.00 C ATOM 270 NH1 ARG A 18 -18.386 15.412 -21.701 1.00 0.00 N ATOM 271 NH2 ARG A 18 -19.338 13.317 -22.005 1.00 0.00 N ATOM 0 H ARG A 18 -14.419 15.756 -26.699 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.314 13.372 -25.411 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -16.072 14.512 -24.936 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -15.856 12.773 -24.966 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -14.604 12.745 -23.012 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -13.869 14.305 -23.327 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -15.399 14.514 -21.418 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -16.044 15.433 -22.764 1.00 0.00 H new ATOM 0 HE ARG A 18 -17.010 12.634 -22.610 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -17.568 16.021 -21.717 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -19.297 15.789 -21.439 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -19.244 12.332 -22.252 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -20.250 13.692 -21.743 1.00 0.00 H new ATOM 285 N SER A 19 -13.609 12.953 -27.946 1.00 0.00 N ATOM 286 CA SER A 19 -13.852 12.347 -29.244 1.00 0.00 C ATOM 287 C SER A 19 -14.961 11.299 -29.132 1.00 0.00 C ATOM 288 O SER A 19 -14.707 10.158 -28.750 1.00 0.00 O ATOM 289 CB SER A 19 -12.577 11.712 -29.802 1.00 0.00 C ATOM 290 OG SER A 19 -12.839 10.911 -30.952 1.00 0.00 O ATOM 0 H SER A 19 -12.627 13.127 -27.734 1.00 0.00 H new ATOM 0 HA SER A 19 -14.168 13.130 -29.934 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.865 12.496 -30.060 1.00 0.00 H new ATOM 0 HB3 SER A 19 -12.110 11.098 -29.031 1.00 0.00 H new ATOM 0 HG SER A 19 -12.000 10.524 -31.279 1.00 0.00 H new ATOM 296 N GLN A 20 -16.170 11.724 -29.474 1.00 0.00 N ATOM 297 CA GLN A 20 -17.318 10.836 -29.417 1.00 0.00 C ATOM 298 C GLN A 20 -17.226 9.927 -28.190 1.00 0.00 C ATOM 299 O GLN A 20 -17.267 8.704 -28.315 1.00 0.00 O ATOM 300 CB GLN A 20 -17.440 10.014 -30.701 1.00 0.00 C ATOM 301 CG GLN A 20 -18.890 9.968 -31.188 1.00 0.00 C ATOM 302 CD GLN A 20 -19.625 8.760 -30.607 1.00 0.00 C ATOM 303 OE1 GLN A 20 -20.233 8.818 -29.550 1.00 0.00 O ATOM 304 NE2 GLN A 20 -19.537 7.662 -31.354 1.00 0.00 N ATOM 0 H GLN A 20 -16.378 12.671 -29.791 1.00 0.00 H new ATOM 0 HA GLN A 20 -18.218 11.444 -29.327 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -16.806 10.446 -31.475 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -17.080 9.001 -30.524 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -19.404 10.885 -30.898 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -18.910 9.921 -32.277 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -19.012 7.681 -32.229 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -19.994 6.802 -31.052 1.00 0.00 H new ATOM 313 N LEU A 21 -17.104 10.559 -27.032 1.00 0.00 N ATOM 314 CA LEU A 21 -17.006 9.822 -25.783 1.00 0.00 C ATOM 315 C LEU A 21 -18.037 10.367 -24.792 1.00 0.00 C ATOM 316 O LEU A 21 -17.815 11.402 -24.166 1.00 0.00 O ATOM 317 CB LEU A 21 -15.571 9.850 -25.256 1.00 0.00 C ATOM 318 CG LEU A 21 -15.348 9.215 -23.882 1.00 0.00 C ATOM 319 CD1 LEU A 21 -15.603 10.226 -22.762 1.00 0.00 C ATOM 320 CD2 LEU A 21 -16.198 7.953 -23.717 1.00 0.00 C ATOM 0 H LEU A 21 -17.071 11.574 -26.932 1.00 0.00 H new ATOM 0 HA LEU A 21 -17.242 8.770 -25.942 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -14.930 9.342 -25.977 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -15.241 10.888 -25.212 1.00 0.00 H new ATOM 0 HG LEU A 21 -14.303 8.913 -23.812 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -15.437 9.749 -21.796 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -14.922 11.070 -22.871 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -16.632 10.581 -22.820 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -16.021 7.521 -22.732 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -17.253 8.209 -23.816 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -15.927 7.229 -24.485 1.00 0.00 H new ATOM 332 N ASP A 22 -19.143 9.645 -24.680 1.00 0.00 N ATOM 333 CA ASP A 22 -20.208 10.043 -23.776 1.00 0.00 C ATOM 334 C ASP A 22 -19.736 9.869 -22.330 1.00 0.00 C ATOM 335 O ASP A 22 -18.774 9.148 -22.071 1.00 0.00 O ATOM 336 CB ASP A 22 -21.452 9.177 -23.975 1.00 0.00 C ATOM 337 CG ASP A 22 -22.504 9.761 -24.919 1.00 0.00 C ATOM 338 OD1 ASP A 22 -23.341 10.545 -24.421 1.00 0.00 O ATOM 339 OD2 ASP A 22 -22.448 9.411 -26.118 1.00 0.00 O ATOM 0 H ASP A 22 -19.324 8.787 -25.201 1.00 0.00 H new ATOM 0 HA ASP A 22 -20.456 11.083 -23.985 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -21.142 8.205 -24.358 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -21.914 9.004 -23.003 1.00 0.00 H new ATOM 344 N ARG A 23 -20.436 10.541 -21.428 1.00 0.00 N ATOM 345 CA ARG A 23 -20.100 10.469 -20.017 1.00 0.00 C ATOM 346 C ARG A 23 -20.328 9.052 -19.488 1.00 0.00 C ATOM 347 O ARG A 23 -19.942 8.734 -18.364 1.00 0.00 O ATOM 348 CB ARG A 23 -20.942 11.452 -19.200 1.00 0.00 C ATOM 349 CG ARG A 23 -20.392 11.597 -17.780 1.00 0.00 C ATOM 350 CD ARG A 23 -19.000 12.233 -17.793 1.00 0.00 C ATOM 351 NE ARG A 23 -18.882 13.218 -16.695 1.00 0.00 N ATOM 352 CZ ARG A 23 -17.717 13.648 -16.194 1.00 0.00 C ATOM 353 NH1 ARG A 23 -16.562 13.183 -16.689 1.00 0.00 N ATOM 354 NH2 ARG A 23 -17.706 14.544 -15.197 1.00 0.00 N ATOM 0 H ARG A 23 -21.234 11.137 -21.647 1.00 0.00 H new ATOM 0 HA ARG A 23 -19.048 10.734 -19.913 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -20.951 12.425 -19.692 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -21.975 11.106 -19.160 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -21.070 12.209 -17.184 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -20.344 10.618 -17.303 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -18.238 11.461 -17.684 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -18.824 12.722 -18.751 1.00 0.00 H new ATOM 0 HE ARG A 23 -19.742 13.593 -16.295 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -16.570 12.501 -17.448 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -15.675 13.511 -16.307 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -18.585 14.898 -14.820 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -16.819 14.871 -14.815 1.00 0.00 H new ATOM 368 N ASP A 24 -20.955 8.236 -20.324 1.00 0.00 N ATOM 369 CA ASP A 24 -21.239 6.861 -19.955 1.00 0.00 C ATOM 370 C ASP A 24 -20.676 5.923 -21.026 1.00 0.00 C ATOM 371 O ASP A 24 -21.208 4.837 -21.246 1.00 0.00 O ATOM 372 CB ASP A 24 -22.746 6.616 -19.859 1.00 0.00 C ATOM 373 CG ASP A 24 -23.211 5.950 -18.562 1.00 0.00 C ATOM 374 OD1 ASP A 24 -22.703 4.843 -18.277 1.00 0.00 O ATOM 375 OD2 ASP A 24 -24.065 6.563 -17.884 1.00 0.00 O ATOM 0 H ASP A 24 -21.274 8.502 -21.256 1.00 0.00 H new ATOM 0 HA ASP A 24 -20.780 6.671 -18.985 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -23.262 7.570 -19.965 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -23.052 5.993 -20.700 1.00 0.00 H new ATOM 380 N GLN A 25 -19.606 6.378 -21.661 1.00 0.00 N ATOM 381 CA GLN A 25 -18.966 5.594 -22.703 1.00 0.00 C ATOM 382 C GLN A 25 -17.556 5.187 -22.270 1.00 0.00 C ATOM 383 O GLN A 25 -17.125 5.510 -21.165 1.00 0.00 O ATOM 384 CB GLN A 25 -18.933 6.363 -24.026 1.00 0.00 C ATOM 385 CG GLN A 25 -19.982 5.824 -25.000 1.00 0.00 C ATOM 386 CD GLN A 25 -19.604 6.145 -26.447 1.00 0.00 C ATOM 387 OE1 GLN A 25 -18.590 5.703 -26.964 1.00 0.00 O ATOM 388 NE2 GLN A 25 -20.471 6.938 -27.069 1.00 0.00 N ATOM 0 H GLN A 25 -19.166 7.279 -21.474 1.00 0.00 H new ATOM 0 HA GLN A 25 -19.552 4.689 -22.862 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -19.114 7.422 -23.840 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -17.942 6.283 -24.473 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -20.078 4.745 -24.876 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -20.955 6.259 -24.770 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -21.300 7.272 -26.577 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -20.307 7.212 -28.038 1.00 0.00 H new ATOM 397 N CYS A 26 -16.876 4.485 -23.165 1.00 0.00 N ATOM 398 CA CYS A 26 -15.524 4.030 -22.888 1.00 0.00 C ATOM 399 C CYS A 26 -14.570 4.753 -23.842 1.00 0.00 C ATOM 400 O CYS A 26 -14.845 4.861 -25.036 1.00 0.00 O ATOM 401 CB CYS A 26 -15.403 2.509 -23.005 1.00 0.00 C ATOM 402 SG CYS A 26 -13.679 1.992 -22.679 1.00 0.00 S ATOM 0 H CYS A 26 -17.236 4.220 -24.082 1.00 0.00 H new ATOM 0 HA CYS A 26 -15.260 4.271 -21.858 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -16.076 2.027 -22.296 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -15.706 2.187 -24.002 1.00 0.00 H new ATOM 407 N ALA A 27 -13.469 5.228 -23.279 1.00 0.00 N ATOM 408 CA ALA A 27 -12.473 5.937 -24.064 1.00 0.00 C ATOM 409 C ALA A 27 -11.269 5.023 -24.299 1.00 0.00 C ATOM 410 O ALA A 27 -10.127 5.479 -24.288 1.00 0.00 O ATOM 411 CB ALA A 27 -12.089 7.235 -23.350 1.00 0.00 C ATOM 0 H ALA A 27 -13.245 5.136 -22.288 1.00 0.00 H new ATOM 0 HA ALA A 27 -12.876 6.208 -25.040 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.342 7.767 -23.939 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -12.973 7.862 -23.234 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.678 7.002 -22.368 1.00 0.00 H new ATOM 417 N TYR A 28 -11.566 3.748 -24.506 1.00 0.00 N ATOM 418 CA TYR A 28 -10.522 2.765 -24.743 1.00 0.00 C ATOM 419 C TYR A 28 -10.875 1.867 -25.930 1.00 0.00 C ATOM 420 O TYR A 28 -10.099 1.750 -26.877 1.00 0.00 O ATOM 421 CB TYR A 28 -10.451 1.912 -23.476 1.00 0.00 C ATOM 422 CG TYR A 28 -9.064 1.328 -23.196 1.00 0.00 C ATOM 423 CD1 TYR A 28 -8.010 2.166 -22.897 1.00 0.00 C ATOM 424 CD2 TYR A 28 -8.869 -0.037 -23.243 1.00 0.00 C ATOM 425 CE1 TYR A 28 -6.705 1.618 -22.633 1.00 0.00 C ATOM 426 CE2 TYR A 28 -7.564 -0.586 -22.980 1.00 0.00 C ATOM 427 CZ TYR A 28 -6.547 0.268 -22.687 1.00 0.00 C ATOM 428 OH TYR A 28 -5.315 -0.251 -22.439 1.00 0.00 O ATOM 0 H TYR A 28 -12.515 3.373 -24.514 1.00 0.00 H new ATOM 0 HA TYR A 28 -9.576 3.256 -24.969 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -10.757 2.519 -22.624 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -11.168 1.095 -23.560 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -8.164 3.234 -22.861 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -9.694 -0.693 -23.477 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -5.872 2.263 -22.398 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -7.397 -1.652 -23.015 1.00 0.00 H new ATOM 0 HH TYR A 28 -4.785 -0.244 -23.263 1.00 0.00 H new ATOM 438 N CYS A 29 -12.047 1.255 -25.841 1.00 0.00 N ATOM 439 CA CYS A 29 -12.511 0.371 -26.896 1.00 0.00 C ATOM 440 C CYS A 29 -13.516 1.137 -27.757 1.00 0.00 C ATOM 441 O CYS A 29 -13.647 0.870 -28.951 1.00 0.00 O ATOM 442 CB CYS A 29 -13.110 -0.919 -26.329 1.00 0.00 C ATOM 443 SG CYS A 29 -14.535 -0.525 -25.249 1.00 0.00 S ATOM 0 H CYS A 29 -12.689 1.354 -25.054 1.00 0.00 H new ATOM 0 HA CYS A 29 -11.667 0.062 -27.513 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -13.429 -1.570 -27.143 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -12.354 -1.463 -25.763 1.00 0.00 H new ATOM 448 N LYS A 30 -14.202 2.074 -27.118 1.00 0.00 N ATOM 449 CA LYS A 30 -15.192 2.881 -27.811 1.00 0.00 C ATOM 450 C LYS A 30 -16.582 2.281 -27.585 1.00 0.00 C ATOM 451 O LYS A 30 -17.470 2.433 -28.422 1.00 0.00 O ATOM 452 CB LYS A 30 -14.821 3.033 -29.287 1.00 0.00 C ATOM 453 CG LYS A 30 -15.384 4.334 -29.864 1.00 0.00 C ATOM 454 CD LYS A 30 -14.287 5.393 -29.999 1.00 0.00 C ATOM 455 CE LYS A 30 -14.439 6.478 -28.932 1.00 0.00 C ATOM 456 NZ LYS A 30 -14.688 7.794 -29.561 1.00 0.00 N ATOM 0 H LYS A 30 -14.092 2.292 -26.128 1.00 0.00 H new ATOM 0 HA LYS A 30 -15.211 3.892 -27.405 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -13.736 3.022 -29.396 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -15.206 2.184 -29.852 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -15.830 4.141 -30.840 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -16.179 4.708 -29.219 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -13.308 4.922 -29.907 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -14.332 5.844 -30.990 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -15.263 6.226 -28.264 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -13.537 6.525 -28.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -14.972 8.479 -28.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.820 8.125 -30.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -15.447 7.704 -30.266 1.00 0.00 H new ATOM 470 N GLU A 31 -16.725 1.613 -26.450 1.00 0.00 N ATOM 471 CA GLU A 31 -17.991 0.990 -26.103 1.00 0.00 C ATOM 472 C GLU A 31 -18.823 1.930 -25.228 1.00 0.00 C ATOM 473 O GLU A 31 -18.341 2.979 -24.805 1.00 0.00 O ATOM 474 CB GLU A 31 -17.768 -0.354 -25.407 1.00 0.00 C ATOM 475 CG GLU A 31 -19.030 -1.218 -25.467 1.00 0.00 C ATOM 476 CD GLU A 31 -19.758 -1.218 -24.122 1.00 0.00 C ATOM 477 OE1 GLU A 31 -19.508 -0.275 -23.341 1.00 0.00 O ATOM 478 OE2 GLU A 31 -20.548 -2.163 -23.904 1.00 0.00 O ATOM 0 H GLU A 31 -15.985 1.490 -25.759 1.00 0.00 H new ATOM 0 HA GLU A 31 -18.543 0.798 -27.023 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -16.940 -0.880 -25.881 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -17.486 -0.187 -24.367 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -19.695 -0.843 -26.245 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -18.764 -2.239 -25.740 1.00 0.00 H new ATOM 485 N LYS A 32 -20.058 1.519 -24.982 1.00 0.00 N ATOM 486 CA LYS A 32 -20.962 2.310 -24.165 1.00 0.00 C ATOM 487 C LYS A 32 -21.560 1.425 -23.069 1.00 0.00 C ATOM 488 O LYS A 32 -22.079 0.346 -23.352 1.00 0.00 O ATOM 489 CB LYS A 32 -22.011 3.000 -25.039 1.00 0.00 C ATOM 490 CG LYS A 32 -22.899 1.971 -25.743 1.00 0.00 C ATOM 491 CD LYS A 32 -23.915 2.659 -26.657 1.00 0.00 C ATOM 492 CE LYS A 32 -24.217 1.801 -27.887 1.00 0.00 C ATOM 493 NZ LYS A 32 -24.838 0.519 -27.485 1.00 0.00 N ATOM 0 H LYS A 32 -20.454 0.648 -25.334 1.00 0.00 H new ATOM 0 HA LYS A 32 -20.419 3.113 -23.666 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -22.626 3.657 -24.425 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -21.516 3.627 -25.781 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -22.280 1.291 -26.328 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -23.422 1.368 -25.001 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -24.836 2.847 -26.106 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -23.528 3.628 -26.972 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -24.885 2.340 -28.559 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -23.297 1.609 -28.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -25.175 0.016 -28.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -24.135 -0.067 -26.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -25.641 0.706 -26.851 1.00 0.00 H new ATOM 507 N GLY A 33 -21.468 1.914 -21.842 1.00 0.00 N ATOM 508 CA GLY A 33 -21.993 1.182 -20.703 1.00 0.00 C ATOM 509 C GLY A 33 -20.945 1.068 -19.593 1.00 0.00 C ATOM 510 O GLY A 33 -21.283 1.103 -18.410 1.00 0.00 O ATOM 0 H GLY A 33 -21.037 2.809 -21.611 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -22.880 1.686 -20.320 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -22.304 0.186 -21.018 1.00 0.00 H new ATOM 514 N HIS A 34 -19.696 0.934 -20.014 1.00 0.00 N ATOM 515 CA HIS A 34 -18.598 0.815 -19.071 1.00 0.00 C ATOM 516 C HIS A 34 -17.593 1.944 -19.308 1.00 0.00 C ATOM 517 O HIS A 34 -17.580 2.553 -20.376 1.00 0.00 O ATOM 518 CB HIS A 34 -17.959 -0.573 -19.151 1.00 0.00 C ATOM 519 CG HIS A 34 -17.146 -0.803 -20.402 1.00 0.00 C ATOM 520 ND1 HIS A 34 -17.629 -1.503 -21.493 1.00 0.00 N ATOM 521 CD2 HIS A 34 -15.878 -0.417 -20.724 1.00 0.00 C ATOM 522 CE1 HIS A 34 -16.687 -1.532 -22.423 1.00 0.00 C ATOM 523 NE2 HIS A 34 -15.602 -0.859 -21.944 1.00 0.00 N ATOM 0 H HIS A 34 -19.420 0.905 -20.996 1.00 0.00 H new ATOM 0 HA HIS A 34 -18.976 0.919 -18.054 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -17.318 -0.717 -18.282 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -18.744 -1.327 -19.096 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -18.554 -1.925 -21.568 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -15.212 0.152 -20.093 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -16.764 -2.005 -23.391 1.00 0.00 H new ATOM 531 N TRP A 35 -16.776 2.189 -18.294 1.00 0.00 N ATOM 532 CA TRP A 35 -15.771 3.235 -18.378 1.00 0.00 C ATOM 533 C TRP A 35 -14.442 2.582 -18.765 1.00 0.00 C ATOM 534 O TRP A 35 -14.272 1.373 -18.611 1.00 0.00 O ATOM 535 CB TRP A 35 -15.689 4.025 -17.071 1.00 0.00 C ATOM 536 CG TRP A 35 -16.608 5.249 -17.026 1.00 0.00 C ATOM 537 CD1 TRP A 35 -17.864 5.355 -17.481 1.00 0.00 C ATOM 538 CD2 TRP A 35 -16.289 6.543 -16.474 1.00 0.00 C ATOM 539 NE1 TRP A 35 -18.375 6.618 -17.264 1.00 0.00 N ATOM 540 CE2 TRP A 35 -17.387 7.363 -16.632 1.00 0.00 C ATOM 541 CE3 TRP A 35 -15.111 7.006 -15.861 1.00 0.00 C ATOM 542 CZ2 TRP A 35 -17.417 8.696 -16.204 1.00 0.00 C ATOM 543 CZ3 TRP A 35 -15.157 8.340 -15.438 1.00 0.00 C ATOM 544 CH2 TRP A 35 -16.255 9.179 -15.591 1.00 0.00 C ATOM 0 H TRP A 35 -16.790 1.681 -17.410 1.00 0.00 H new ATOM 0 HA TRP A 35 -16.038 3.965 -19.142 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -15.941 3.364 -16.242 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -14.660 4.350 -16.919 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -18.408 4.553 -17.958 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -19.307 6.945 -17.520 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -14.240 6.382 -15.727 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -18.290 9.318 -16.340 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -14.278 8.746 -14.959 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -16.212 10.199 -15.238 1.00 0.00 H new ATOM 555 N ALA A 36 -13.534 3.410 -19.259 1.00 0.00 N ATOM 556 CA ALA A 36 -12.226 2.929 -19.670 1.00 0.00 C ATOM 557 C ALA A 36 -11.534 2.267 -18.477 1.00 0.00 C ATOM 558 O ALA A 36 -10.834 1.268 -18.636 1.00 0.00 O ATOM 559 CB ALA A 36 -11.412 4.089 -20.245 1.00 0.00 C ATOM 0 H ALA A 36 -13.678 4.412 -19.384 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.322 2.179 -20.455 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.431 3.728 -20.553 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.932 4.506 -21.107 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.292 4.861 -19.485 1.00 0.00 H new ATOM 565 N LYS A 37 -11.753 2.851 -17.307 1.00 0.00 N ATOM 566 CA LYS A 37 -11.159 2.331 -16.088 1.00 0.00 C ATOM 567 C LYS A 37 -11.725 0.938 -15.804 1.00 0.00 C ATOM 568 O LYS A 37 -11.205 0.213 -14.958 1.00 0.00 O ATOM 569 CB LYS A 37 -11.350 3.319 -14.935 1.00 0.00 C ATOM 570 CG LYS A 37 -10.263 4.395 -14.950 1.00 0.00 C ATOM 571 CD LYS A 37 -10.649 5.551 -15.874 1.00 0.00 C ATOM 572 CE LYS A 37 -10.351 6.901 -15.218 1.00 0.00 C ATOM 573 NZ LYS A 37 -9.538 7.747 -16.119 1.00 0.00 N ATOM 0 H LYS A 37 -12.334 3.679 -17.178 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.081 2.220 -16.207 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.331 3.787 -15.011 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.325 2.785 -13.985 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.104 4.770 -13.939 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.320 3.960 -15.281 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.100 5.470 -16.812 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.709 5.488 -16.118 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.285 7.409 -14.977 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.821 6.746 -14.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.065 8.489 -15.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.823 7.160 -16.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.154 8.187 -16.832 1.00 0.00 H new ATOM 587 N ASP A 38 -12.784 0.606 -16.528 1.00 0.00 N ATOM 588 CA ASP A 38 -13.426 -0.688 -16.365 1.00 0.00 C ATOM 589 C ASP A 38 -13.614 -1.335 -17.738 1.00 0.00 C ATOM 590 O ASP A 38 -14.560 -2.094 -17.946 1.00 0.00 O ATOM 591 CB ASP A 38 -14.805 -0.540 -15.719 1.00 0.00 C ATOM 592 CG ASP A 38 -15.147 -1.603 -14.674 1.00 0.00 C ATOM 593 OD1 ASP A 38 -15.434 -2.744 -15.097 1.00 0.00 O ATOM 594 OD2 ASP A 38 -15.113 -1.251 -13.474 1.00 0.00 O ATOM 0 H ASP A 38 -13.214 1.210 -17.229 1.00 0.00 H new ATOM 0 HA ASP A 38 -12.792 -1.302 -15.725 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -14.866 0.442 -15.250 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -15.562 -0.566 -16.503 1.00 0.00 H new ATOM 599 N CYS A 39 -12.697 -1.014 -18.639 1.00 0.00 N ATOM 600 CA CYS A 39 -12.750 -1.555 -19.986 1.00 0.00 C ATOM 601 C CYS A 39 -12.423 -3.048 -19.917 1.00 0.00 C ATOM 602 O CYS A 39 -11.412 -3.439 -19.336 1.00 0.00 O ATOM 603 CB CYS A 39 -11.810 -0.807 -20.933 1.00 0.00 C ATOM 604 SG CYS A 39 -12.053 -1.395 -22.650 1.00 0.00 S ATOM 0 H CYS A 39 -11.913 -0.386 -18.462 1.00 0.00 H new ATOM 0 HA CYS A 39 -13.752 -1.422 -20.395 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -12.001 0.265 -20.876 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -10.775 -0.963 -20.629 1.00 0.00 H new ATOM 609 N PRO A 40 -13.320 -3.862 -20.534 1.00 0.00 N ATOM 610 CA PRO A 40 -13.137 -5.304 -20.549 1.00 0.00 C ATOM 611 C PRO A 40 -12.040 -5.707 -21.535 1.00 0.00 C ATOM 612 O PRO A 40 -11.748 -6.892 -21.695 1.00 0.00 O ATOM 613 CB PRO A 40 -14.500 -5.870 -20.911 1.00 0.00 C ATOM 614 CG PRO A 40 -15.274 -4.723 -21.538 1.00 0.00 C ATOM 615 CD PRO A 40 -14.529 -3.434 -21.232 1.00 0.00 C ATOM 0 HA PRO A 40 -12.801 -5.696 -19.589 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -14.405 -6.703 -21.607 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -15.012 -6.250 -20.027 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -15.362 -4.866 -22.615 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -16.287 -4.682 -21.138 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -14.288 -2.890 -22.145 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -15.129 -2.767 -20.613 1.00 0.00 H new ATOM 623 N LYS A 41 -11.462 -4.700 -22.172 1.00 0.00 N ATOM 624 CA LYS A 41 -10.403 -4.934 -23.140 1.00 0.00 C ATOM 625 C LYS A 41 -9.076 -4.426 -22.571 1.00 0.00 C ATOM 626 O LYS A 41 -8.089 -4.312 -23.296 1.00 0.00 O ATOM 627 CB LYS A 41 -10.768 -4.320 -24.492 1.00 0.00 C ATOM 628 CG LYS A 41 -9.751 -4.716 -25.566 1.00 0.00 C ATOM 629 CD LYS A 41 -9.245 -3.484 -26.321 1.00 0.00 C ATOM 630 CE LYS A 41 -7.720 -3.502 -26.438 1.00 0.00 C ATOM 631 NZ LYS A 41 -7.100 -2.911 -25.232 1.00 0.00 N ATOM 0 H LYS A 41 -11.707 -3.719 -22.037 1.00 0.00 H new ATOM 0 HA LYS A 41 -10.283 -6.002 -23.323 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -11.763 -4.651 -24.789 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.806 -3.234 -24.404 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.911 -5.234 -25.103 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.209 -5.414 -26.267 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.689 -3.455 -27.316 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.563 -2.579 -25.803 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.372 -4.527 -26.568 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.411 -2.945 -27.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.105 -2.681 -25.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.610 -2.044 -24.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.148 -3.592 -24.448 1.00 0.00 H new ATOM 645 N LYS A 42 -9.096 -4.134 -21.279 1.00 0.00 N ATOM 646 CA LYS A 42 -7.907 -3.640 -20.606 1.00 0.00 C ATOM 647 C LYS A 42 -7.010 -4.822 -20.232 1.00 0.00 C ATOM 648 O LYS A 42 -7.493 -5.938 -20.046 1.00 0.00 O ATOM 649 CB LYS A 42 -8.292 -2.760 -19.414 1.00 0.00 C ATOM 650 CG LYS A 42 -8.447 -1.299 -19.840 1.00 0.00 C ATOM 651 CD LYS A 42 -7.166 -0.510 -19.564 1.00 0.00 C ATOM 652 CE LYS A 42 -7.368 0.980 -19.849 1.00 0.00 C ATOM 653 NZ LYS A 42 -7.893 1.670 -18.648 1.00 0.00 N ATOM 0 H LYS A 42 -9.916 -4.230 -20.681 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.330 -2.999 -21.273 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -9.226 -3.117 -18.980 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.530 -2.838 -18.639 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.687 -1.249 -20.902 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -9.280 -0.846 -19.303 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.866 -0.648 -18.525 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.356 -0.896 -20.183 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.422 1.430 -20.150 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.061 1.107 -20.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.524 2.642 -18.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.932 1.695 -18.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.592 1.158 -17.794 1.00 0.00 H new ATOM 667 N PRO A 43 -5.686 -4.528 -20.130 1.00 0.00 N ATOM 668 CA PRO A 43 -4.717 -5.553 -19.782 1.00 0.00 C ATOM 669 C PRO A 43 -4.792 -5.896 -18.292 1.00 0.00 C ATOM 670 O PRO A 43 -4.928 -7.061 -17.925 1.00 0.00 O ATOM 671 CB PRO A 43 -3.371 -4.979 -20.192 1.00 0.00 C ATOM 672 CG PRO A 43 -3.582 -3.479 -20.324 1.00 0.00 C ATOM 673 CD PRO A 43 -5.078 -3.217 -20.342 1.00 0.00 C ATOM 0 HA PRO A 43 -4.904 -6.498 -20.292 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -2.608 -5.202 -19.447 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -3.033 -5.411 -21.134 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.113 -2.953 -19.492 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.119 -3.108 -21.238 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -5.367 -2.515 -19.559 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -5.393 -2.783 -21.291 1.00 0.00 H new ATOM 681 N ARG A 44 -4.699 -4.857 -17.474 1.00 0.00 N ATOM 682 CA ARG A 44 -4.754 -5.033 -16.033 1.00 0.00 C ATOM 683 C ARG A 44 -3.536 -5.821 -15.547 1.00 0.00 C ATOM 684 O ARG A 44 -3.084 -6.750 -16.217 1.00 0.00 O ATOM 685 CB ARG A 44 -6.028 -5.769 -15.616 1.00 0.00 C ATOM 686 CG ARG A 44 -6.310 -5.577 -14.125 1.00 0.00 C ATOM 687 CD ARG A 44 -7.775 -5.875 -13.800 1.00 0.00 C ATOM 688 NE ARG A 44 -8.369 -4.744 -13.052 1.00 0.00 N ATOM 689 CZ ARG A 44 -8.755 -3.591 -13.615 1.00 0.00 C ATOM 690 NH1 ARG A 44 -8.613 -3.408 -14.934 1.00 0.00 N ATOM 691 NH2 ARG A 44 -9.284 -2.620 -12.857 1.00 0.00 N ATOM 0 H ARG A 44 -4.586 -3.891 -17.782 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.755 -4.042 -15.578 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -6.872 -5.401 -16.200 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.927 -6.832 -15.837 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -5.664 -6.233 -13.542 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -6.070 -4.554 -13.835 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -8.333 -6.045 -14.721 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -7.846 -6.789 -13.210 1.00 0.00 H new ATOM 0 HE ARG A 44 -8.492 -4.849 -12.045 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -8.211 -4.147 -15.511 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -8.907 -2.530 -15.362 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -9.392 -2.759 -11.852 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -9.578 -1.742 -13.285 1.00 0.00 H new ATOM 705 N GLY A 45 -3.038 -5.423 -14.386 1.00 0.00 N ATOM 706 CA GLY A 45 -1.881 -6.081 -13.803 1.00 0.00 C ATOM 707 C GLY A 45 -0.586 -5.602 -14.464 1.00 0.00 C ATOM 708 O GLY A 45 -0.617 -4.752 -15.351 1.00 0.00 O ATOM 0 H GLY A 45 -3.414 -4.653 -13.833 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.844 -5.878 -12.733 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.975 -7.161 -13.920 1.00 0.00 H new ATOM 712 N PRO A 46 0.549 -6.184 -13.993 1.00 0.00 N ATOM 713 CA PRO A 46 0.497 -7.183 -12.939 1.00 0.00 C ATOM 714 C PRO A 46 0.225 -6.534 -11.580 1.00 0.00 C ATOM 715 O PRO A 46 -0.573 -7.041 -10.795 1.00 0.00 O ATOM 716 CB PRO A 46 1.840 -7.891 -13.001 1.00 0.00 C ATOM 717 CG PRO A 46 2.766 -6.963 -13.770 1.00 0.00 C ATOM 718 CD PRO A 46 1.908 -5.908 -14.449 1.00 0.00 C ATOM 0 HA PRO A 46 -0.319 -7.893 -13.073 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.225 -8.086 -12.000 1.00 0.00 H new ATOM 0 HB3 PRO A 46 1.750 -8.855 -13.501 1.00 0.00 H new ATOM 0 HG2 PRO A 46 3.484 -6.496 -13.096 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.340 -7.522 -14.509 1.00 0.00 H new ATOM 0 HD2 PRO A 46 2.223 -4.902 -14.170 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.983 -5.976 -15.534 1.00 0.00 H new ATOM 726 N ARG A 47 0.905 -5.421 -11.347 1.00 0.00 N ATOM 727 CA ARG A 47 0.747 -4.696 -10.096 1.00 0.00 C ATOM 728 C ARG A 47 1.225 -3.252 -10.256 1.00 0.00 C ATOM 729 O ARG A 47 1.953 -2.936 -11.195 1.00 0.00 O ATOM 730 CB ARG A 47 1.534 -5.366 -8.968 1.00 0.00 C ATOM 731 CG ARG A 47 3.034 -5.366 -9.271 1.00 0.00 C ATOM 732 CD ARG A 47 3.853 -5.238 -7.986 1.00 0.00 C ATOM 733 NE ARG A 47 5.094 -6.038 -8.096 1.00 0.00 N ATOM 734 CZ ARG A 47 5.869 -6.369 -7.053 1.00 0.00 C ATOM 735 NH1 ARG A 47 5.535 -5.972 -5.818 1.00 0.00 N ATOM 736 NH2 ARG A 47 6.977 -7.097 -7.247 1.00 0.00 N ATOM 0 H ARG A 47 1.566 -5.003 -12.002 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.312 -4.705 -9.839 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.349 -4.843 -8.030 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.186 -6.390 -8.836 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.304 -6.287 -9.788 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.273 -4.541 -9.942 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.100 -4.192 -7.805 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.265 -5.579 -7.134 1.00 0.00 H new ATOM 0 HE ARG A 47 5.377 -6.357 -9.023 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.691 -5.418 -5.671 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.124 -6.224 -5.025 1.00 0.00 H new ATOM 0 HH21 ARG A 47 7.231 -7.399 -8.188 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.567 -7.349 -6.454 1.00 0.00 H new ATOM 750 N GLY A 48 0.797 -2.414 -9.323 1.00 0.00 N ATOM 751 CA GLY A 48 1.173 -1.011 -9.348 1.00 0.00 C ATOM 752 C GLY A 48 0.131 -0.177 -10.098 1.00 0.00 C ATOM 753 O GLY A 48 0.156 -0.107 -11.326 1.00 0.00 O ATOM 0 H GLY A 48 0.193 -2.680 -8.545 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.275 -0.640 -8.328 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.146 -0.900 -9.827 1.00 0.00 H new ATOM 757 N PRO A 49 -0.783 0.447 -9.309 1.00 0.00 N ATOM 758 CA PRO A 49 -1.830 1.273 -9.885 1.00 0.00 C ATOM 759 C PRO A 49 -1.271 2.615 -10.361 1.00 0.00 C ATOM 760 O PRO A 49 -1.120 3.544 -9.568 1.00 0.00 O ATOM 761 CB PRO A 49 -2.868 1.418 -8.784 1.00 0.00 C ATOM 762 CG PRO A 49 -2.154 1.063 -7.490 1.00 0.00 C ATOM 763 CD PRO A 49 -0.842 0.386 -7.851 1.00 0.00 C ATOM 0 HA PRO A 49 -2.274 0.828 -10.776 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.260 2.434 -8.748 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.716 0.755 -8.957 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.970 1.959 -6.897 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.771 0.400 -6.883 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.006 0.899 -7.398 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -0.817 -0.644 -7.496 1.00 0.00 H new ATOM 771 N ARG A 50 -0.980 2.674 -11.652 1.00 0.00 N ATOM 772 CA ARG A 50 -0.441 3.888 -12.242 1.00 0.00 C ATOM 773 C ARG A 50 0.598 4.516 -11.311 1.00 0.00 C ATOM 774 O ARG A 50 0.260 5.346 -10.468 1.00 0.00 O ATOM 775 CB ARG A 50 -1.550 4.906 -12.517 1.00 0.00 C ATOM 776 CG ARG A 50 -1.000 6.129 -13.254 1.00 0.00 C ATOM 777 CD ARG A 50 -2.083 7.196 -13.429 1.00 0.00 C ATOM 778 NE ARG A 50 -1.888 7.911 -14.709 1.00 0.00 N ATOM 779 CZ ARG A 50 -2.352 7.478 -15.890 1.00 0.00 C ATOM 780 NH1 ARG A 50 -3.041 6.330 -15.959 1.00 0.00 N ATOM 781 NH2 ARG A 50 -2.126 8.192 -17.001 1.00 0.00 N ATOM 0 H ARG A 50 -1.107 1.902 -12.306 1.00 0.00 H new ATOM 0 HA ARG A 50 0.030 3.616 -13.187 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -2.336 4.441 -13.112 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -2.004 5.217 -11.576 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.160 6.546 -12.698 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.619 5.829 -14.230 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.069 6.732 -13.409 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.047 7.902 -12.599 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.368 8.788 -14.692 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.212 5.786 -15.113 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.394 6.000 -16.857 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.601 9.065 -16.948 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -2.479 7.863 -17.900 1.00 0.00 H new ATOM 795 N PRO A 51 1.874 4.083 -11.499 1.00 0.00 N ATOM 796 CA PRO A 51 2.964 4.594 -10.685 1.00 0.00 C ATOM 797 C PRO A 51 3.346 6.014 -11.109 1.00 0.00 C ATOM 798 O PRO A 51 4.493 6.269 -11.473 1.00 0.00 O ATOM 799 CB PRO A 51 4.094 3.594 -10.870 1.00 0.00 C ATOM 800 CG PRO A 51 3.762 2.818 -12.135 1.00 0.00 C ATOM 801 CD PRO A 51 2.310 3.101 -12.487 1.00 0.00 C ATOM 0 HA PRO A 51 2.697 4.684 -9.632 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.054 4.102 -10.964 1.00 0.00 H new ATOM 0 HB3 PRO A 51 4.170 2.927 -10.011 1.00 0.00 H new ATOM 0 HG2 PRO A 51 4.419 3.119 -12.951 1.00 0.00 H new ATOM 0 HG3 PRO A 51 3.916 1.750 -11.980 1.00 0.00 H new ATOM 0 HD2 PRO A 51 2.217 3.491 -13.501 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.707 2.195 -12.437 1.00 0.00 H new ATOM 809 N GLN A 52 2.363 6.900 -11.047 1.00 0.00 N ATOM 810 CA GLN A 52 2.581 8.287 -11.419 1.00 0.00 C ATOM 811 C GLN A 52 3.162 8.372 -12.833 1.00 0.00 C ATOM 812 O GLN A 52 3.538 7.356 -13.415 1.00 0.00 O ATOM 813 CB GLN A 52 3.492 8.989 -10.410 1.00 0.00 C ATOM 814 CG GLN A 52 2.884 10.316 -9.954 1.00 0.00 C ATOM 815 CD GLN A 52 1.735 10.085 -8.970 1.00 0.00 C ATOM 816 OE1 GLN A 52 0.568 10.102 -9.324 1.00 0.00 O ATOM 817 NE2 GLN A 52 2.130 9.867 -7.719 1.00 0.00 N ATOM 0 H GLN A 52 1.413 6.684 -10.745 1.00 0.00 H new ATOM 0 HA GLN A 52 1.620 8.801 -11.410 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.652 8.342 -9.547 1.00 0.00 H new ATOM 0 HB3 GLN A 52 4.469 9.168 -10.859 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.652 10.929 -9.483 1.00 0.00 H new ATOM 0 HG3 GLN A 52 2.520 10.870 -10.820 1.00 0.00 H new ATOM 0 HE21 GLN A 52 3.124 9.866 -7.491 1.00 0.00 H new ATOM 0 HE22 GLN A 52 1.439 9.700 -6.988 1.00 0.00 H new ATOM 826 N THR A 53 3.217 9.594 -13.343 1.00 0.00 N ATOM 827 CA THR A 53 3.745 9.825 -14.676 1.00 0.00 C ATOM 828 C THR A 53 5.125 10.481 -14.597 1.00 0.00 C ATOM 829 O THR A 53 5.388 11.277 -13.696 1.00 0.00 O ATOM 830 CB THR A 53 2.721 10.654 -15.453 1.00 0.00 C ATOM 831 OG1 THR A 53 1.612 9.775 -15.613 1.00 0.00 O ATOM 832 CG2 THR A 53 3.173 10.951 -16.885 1.00 0.00 C ATOM 0 H THR A 53 2.904 10.434 -12.857 1.00 0.00 H new ATOM 0 HA THR A 53 3.897 8.887 -15.210 1.00 0.00 H new ATOM 0 HB THR A 53 2.540 11.592 -14.928 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.900 10.233 -16.106 1.00 0.00 H new ATOM 0 HG21 THR A 53 2.410 11.542 -17.392 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.109 11.509 -16.863 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.322 10.014 -17.421 1.00 0.00 H new ATOM 840 N SER A 54 5.971 10.123 -15.552 1.00 0.00 N ATOM 841 CA SER A 54 7.318 10.667 -15.602 1.00 0.00 C ATOM 842 C SER A 54 7.299 12.049 -16.258 1.00 0.00 C ATOM 843 O SER A 54 7.675 13.041 -15.635 1.00 0.00 O ATOM 844 CB SER A 54 8.262 9.732 -16.360 1.00 0.00 C ATOM 845 OG SER A 54 9.542 9.649 -15.740 1.00 0.00 O ATOM 0 H SER A 54 5.750 9.463 -16.297 1.00 0.00 H new ATOM 0 HA SER A 54 7.687 10.761 -14.581 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.820 8.737 -16.414 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.378 10.086 -17.384 1.00 0.00 H new ATOM 0 HG SER A 54 10.115 9.041 -16.253 1.00 0.00 H new ATOM 851 N LEU A 55 6.859 12.070 -17.508 1.00 0.00 N ATOM 852 CA LEU A 55 6.787 13.314 -18.255 1.00 0.00 C ATOM 853 C LEU A 55 8.199 13.871 -18.448 1.00 0.00 C ATOM 854 O LEU A 55 8.706 14.596 -17.593 1.00 0.00 O ATOM 855 CB LEU A 55 5.829 14.293 -17.575 1.00 0.00 C ATOM 856 CG LEU A 55 5.082 15.254 -18.502 1.00 0.00 C ATOM 857 CD1 LEU A 55 6.062 16.114 -19.303 1.00 0.00 C ATOM 858 CD2 LEU A 55 4.109 14.497 -19.409 1.00 0.00 C ATOM 0 H LEU A 55 6.549 11.245 -18.022 1.00 0.00 H new ATOM 0 HA LEU A 55 6.374 13.138 -19.248 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.094 13.719 -17.011 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.395 14.882 -16.853 1.00 0.00 H new ATOM 0 HG LEU A 55 4.488 15.930 -17.887 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.506 16.788 -19.954 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.678 16.697 -18.618 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.701 15.470 -19.908 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.591 15.204 -20.057 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.661 13.782 -20.019 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.380 13.965 -18.797 1.00 0.00 H new ATOM 870 N LEU A 56 8.795 13.510 -19.575 1.00 0.00 N ATOM 871 CA LEU A 56 10.138 13.964 -19.891 1.00 0.00 C ATOM 872 C LEU A 56 10.191 14.406 -21.354 1.00 0.00 C ATOM 873 O LEU A 56 9.968 13.603 -22.258 1.00 0.00 O ATOM 874 CB LEU A 56 11.165 12.886 -19.536 1.00 0.00 C ATOM 875 CG LEU A 56 12.572 13.386 -19.203 1.00 0.00 C ATOM 876 CD1 LEU A 56 13.273 12.439 -18.226 1.00 0.00 C ATOM 877 CD2 LEU A 56 13.393 13.604 -20.476 1.00 0.00 C ATOM 0 H LEU A 56 8.372 12.908 -20.281 1.00 0.00 H new ATOM 0 HA LEU A 56 10.399 14.832 -19.286 1.00 0.00 H new ATOM 0 HB2 LEU A 56 10.790 12.321 -18.682 1.00 0.00 H new ATOM 0 HB3 LEU A 56 11.236 12.190 -20.372 1.00 0.00 H new ATOM 0 HG LEU A 56 12.482 14.353 -18.708 1.00 0.00 H new ATOM 0 HD11 LEU A 56 14.271 12.817 -18.006 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.697 12.377 -17.303 1.00 0.00 H new ATOM 0 HD13 LEU A 56 13.351 11.448 -18.673 1.00 0.00 H new ATOM 0 HD21 LEU A 56 14.389 13.959 -20.210 1.00 0.00 H new ATOM 0 HD22 LEU A 56 13.477 12.663 -21.021 1.00 0.00 H new ATOM 0 HD23 LEU A 56 12.899 14.345 -21.105 1.00 0.00 H new TER 889 LEU A 56 ATOM 890 P U B 517 -0.696 3.646 -27.563 1.00 0.00 P ATOM 891 OP1 U B 517 0.007 3.029 -26.417 1.00 0.00 O ATOM 892 OP2 U B 517 -0.017 4.762 -28.260 1.00 0.00 O ATOM 893 O5' U B 517 -0.992 2.499 -28.637 1.00 0.00 O ATOM 894 C5' U B 517 -1.738 2.800 -29.815 1.00 0.00 C ATOM 895 C4' U B 517 -2.615 1.627 -30.189 1.00 0.00 C ATOM 896 O4' U B 517 -2.176 0.533 -29.362 1.00 0.00 O ATOM 897 C3' U B 517 -4.042 1.710 -29.655 1.00 0.00 C ATOM 898 O3' U B 517 -4.879 2.327 -30.632 1.00 0.00 O ATOM 899 C2' U B 517 -4.453 0.288 -29.396 1.00 0.00 C ATOM 900 O2' U B 517 -4.754 -0.188 -30.688 1.00 0.00 O ATOM 901 C1' U B 517 -3.176 -0.268 -28.773 1.00 0.00 C ATOM 902 N1 U B 517 -3.145 -0.165 -27.299 1.00 0.00 N ATOM 903 C2 U B 517 -3.322 -1.324 -26.609 1.00 0.00 C ATOM 904 O2 U B 517 -3.501 -2.409 -27.142 1.00 0.00 O ATOM 905 N3 U B 517 -3.293 -1.230 -25.236 1.00 0.00 N ATOM 906 C4 U B 517 -3.099 -0.052 -24.560 1.00 0.00 C ATOM 907 O4 U B 517 -3.092 -0.087 -23.331 1.00 0.00 O ATOM 908 C5 U B 517 -2.919 1.129 -25.328 1.00 0.00 C ATOM 909 C6 U B 517 -2.950 1.014 -26.658 1.00 0.00 C ATOM 0 H5' U B 517 -1.059 3.032 -30.635 1.00 0.00 H new ATOM 0 H5'' U B 517 -2.352 3.685 -29.649 1.00 0.00 H new ATOM 0 H4' U B 517 -2.568 1.561 -31.276 1.00 0.00 H new ATOM 0 H3' U B 517 -4.121 2.308 -28.747 1.00 0.00 H new ATOM 0 H2' U B 517 -5.302 0.057 -28.752 1.00 0.00 H new ATOM 0 HO2' U B 517 -5.174 0.527 -31.210 1.00 0.00 H new ATOM 0 H1' U B 517 -3.062 -1.337 -28.956 1.00 0.00 H new ATOM 0 H3 U B 517 -3.423 -2.083 -24.691 1.00 0.00 H new ATOM 0 H5 U B 517 -2.763 2.086 -24.853 1.00 0.00 H new ATOM 0 H6 U B 517 -2.813 1.905 -27.253 1.00 0.00 H new ATOM 920 P U B 518 -4.661 3.866 -31.014 1.00 0.00 P ATOM 921 OP1 U B 518 -5.903 4.413 -31.604 1.00 0.00 O ATOM 922 OP2 U B 518 -3.412 4.015 -31.793 1.00 0.00 O ATOM 923 O5' U B 518 -4.442 4.562 -29.590 1.00 0.00 O ATOM 924 C5' U B 518 -5.020 5.840 -29.324 1.00 0.00 C ATOM 925 C4' U B 518 -6.448 5.675 -28.856 1.00 0.00 C ATOM 926 O4' U B 518 -6.903 4.351 -29.268 1.00 0.00 O ATOM 927 C3' U B 518 -6.589 5.272 -27.392 1.00 0.00 C ATOM 928 O3' U B 518 -6.430 6.423 -26.565 1.00 0.00 O ATOM 929 C2' U B 518 -7.971 4.692 -27.270 1.00 0.00 C ATOM 930 O2' U B 518 -8.761 5.828 -27.004 1.00 0.00 O ATOM 931 C1' U B 518 -8.146 4.083 -28.658 1.00 0.00 C ATOM 932 N1 U B 518 -8.427 2.632 -28.633 1.00 0.00 N ATOM 933 C2 U B 518 -9.529 2.220 -29.318 1.00 0.00 C ATOM 934 O2 U B 518 -10.268 2.974 -29.930 1.00 0.00 O ATOM 935 N3 U B 518 -9.793 0.868 -29.297 1.00 0.00 N ATOM 936 C4 U B 518 -9.014 -0.047 -28.635 1.00 0.00 C ATOM 937 O4 U B 518 -9.345 -1.230 -28.685 1.00 0.00 O ATOM 938 C5 U B 518 -7.876 0.437 -27.937 1.00 0.00 C ATOM 939 C6 U B 518 -7.639 1.751 -27.971 1.00 0.00 C ATOM 0 H5' U B 518 -4.992 6.455 -30.223 1.00 0.00 H new ATOM 0 H5'' U B 518 -4.437 6.361 -28.564 1.00 0.00 H new ATOM 0 H4' U B 518 -6.920 6.603 -29.178 1.00 0.00 H new ATOM 0 H3' U B 518 -5.836 4.550 -27.077 1.00 0.00 H new ATOM 0 H2' U B 518 -8.201 3.943 -26.512 1.00 0.00 H new ATOM 0 HO2' U B 518 -8.184 6.570 -26.727 1.00 0.00 H new ATOM 0 H1' U B 518 -9.004 4.501 -29.184 1.00 0.00 H new ATOM 0 H3 U B 518 -10.612 0.529 -29.801 1.00 0.00 H new ATOM 0 H5 U B 518 -7.225 -0.234 -27.397 1.00 0.00 H new ATOM 0 H6 U B 518 -6.776 2.130 -27.444 1.00 0.00 H new ATOM 950 P U B 519 -5.595 6.322 -25.204 1.00 0.00 P ATOM 951 OP1 U B 519 -4.985 7.635 -24.894 1.00 0.00 O ATOM 952 OP2 U B 519 -4.694 5.148 -25.258 1.00 0.00 O ATOM 953 O5' U B 519 -6.724 6.029 -24.109 1.00 0.00 O ATOM 954 C5' U B 519 -7.734 7.001 -23.850 1.00 0.00 C ATOM 955 C4' U B 519 -8.352 6.760 -22.491 1.00 0.00 C ATOM 956 O4' U B 519 -8.083 5.407 -22.063 1.00 0.00 O ATOM 957 C3' U B 519 -7.622 7.444 -21.337 1.00 0.00 C ATOM 958 O3' U B 519 -8.103 8.780 -21.199 1.00 0.00 O ATOM 959 C2' U B 519 -7.937 6.616 -20.123 1.00 0.00 C ATOM 960 O2' U B 519 -9.251 7.017 -19.805 1.00 0.00 O ATOM 961 C1' U B 519 -7.801 5.208 -20.696 1.00 0.00 C ATOM 962 N1 U B 519 -6.458 4.622 -20.506 1.00 0.00 N ATOM 963 C2 U B 519 -6.125 4.274 -19.234 1.00 0.00 C ATOM 964 O2 U B 519 -6.866 4.423 -18.275 1.00 0.00 O ATOM 965 N3 U B 519 -4.873 3.728 -19.055 1.00 0.00 N ATOM 966 C4 U B 519 -3.980 3.527 -20.077 1.00 0.00 C ATOM 967 O4 U B 519 -2.889 3.030 -19.801 1.00 0.00 O ATOM 968 C5 U B 519 -4.377 3.908 -21.386 1.00 0.00 C ATOM 969 C6 U B 519 -5.595 4.436 -21.536 1.00 0.00 C ATOM 0 H5' U B 519 -8.503 6.952 -24.621 1.00 0.00 H new ATOM 0 H5'' U B 519 -7.305 8.002 -23.890 1.00 0.00 H new ATOM 0 H4' U B 519 -9.384 7.077 -22.638 1.00 0.00 H new ATOM 0 H3' U B 519 -6.545 7.510 -21.493 1.00 0.00 H new ATOM 0 H2' U B 519 -7.338 6.699 -19.216 1.00 0.00 H new ATOM 0 HO2' U B 519 -9.229 7.638 -19.047 1.00 0.00 H new ATOM 0 H1' U B 519 -8.462 4.497 -20.200 1.00 0.00 H new ATOM 0 H3 U B 519 -4.595 3.459 -18.111 1.00 0.00 H new ATOM 0 H5 U B 519 -3.717 3.776 -22.231 1.00 0.00 H new ATOM 0 H6 U B 519 -5.908 4.729 -22.527 1.00 0.00 H new ATOM 980 P U B 520 -7.817 9.597 -19.854 1.00 0.00 P ATOM 981 OP1 U B 520 -6.371 9.560 -19.546 1.00 0.00 O ATOM 982 OP2 U B 520 -8.753 9.156 -18.795 1.00 0.00 O ATOM 983 O5' U B 520 -8.200 11.097 -20.257 1.00 0.00 O ATOM 984 C5' U B 520 -7.171 12.050 -20.516 1.00 0.00 C ATOM 985 C4' U B 520 -7.613 13.012 -21.595 1.00 0.00 C ATOM 986 O4' U B 520 -7.932 12.257 -22.805 1.00 0.00 O ATOM 987 C3' U B 520 -9.064 13.471 -21.475 1.00 0.00 C ATOM 988 O3' U B 520 -9.159 14.491 -20.484 1.00 0.00 O ATOM 989 C2' U B 520 -9.430 13.990 -22.838 1.00 0.00 C ATOM 990 O2' U B 520 -8.884 15.290 -22.831 1.00 0.00 O ATOM 991 C1' U B 520 -8.710 12.982 -23.730 1.00 0.00 C ATOM 992 N1 U B 520 -9.628 12.091 -24.470 1.00 0.00 N ATOM 993 C2 U B 520 -9.220 11.698 -25.707 1.00 0.00 C ATOM 994 O2 U B 520 -8.163 12.041 -26.213 1.00 0.00 O ATOM 995 N3 U B 520 -10.074 10.867 -26.398 1.00 0.00 N ATOM 996 C4 U B 520 -11.278 10.434 -25.904 1.00 0.00 C ATOM 997 O4 U B 520 -11.960 9.693 -26.610 1.00 0.00 O ATOM 998 C5 U B 520 -11.655 10.874 -24.608 1.00 0.00 C ATOM 999 C6 U B 520 -10.813 11.678 -23.956 1.00 0.00 C ATOM 0 H5' U B 520 -6.260 11.538 -20.826 1.00 0.00 H new ATOM 0 H5'' U B 520 -6.934 12.598 -19.604 1.00 0.00 H new ATOM 0 H4' U B 520 -6.832 13.772 -21.563 1.00 0.00 H new ATOM 0 H3' U B 520 -9.738 12.671 -21.170 1.00 0.00 H new ATOM 0 H2' U B 520 -10.472 14.069 -23.147 1.00 0.00 H new ATOM 0 HO2' U B 520 -8.549 15.499 -21.934 1.00 0.00 H new ATOM 0 H1' U B 520 -8.134 13.468 -24.518 1.00 0.00 H new ATOM 0 H3 U B 520 -9.796 10.556 -27.329 1.00 0.00 H new ATOM 0 H5 U B 520 -12.591 10.568 -24.165 1.00 0.00 H new ATOM 0 H6 U B 520 -11.089 12.017 -22.969 1.00 0.00 H new ATOM 1010 P G B 521 -10.576 15.151 -20.148 1.00 0.00 P ATOM 1011 OP1 G B 521 -11.409 15.194 -21.371 1.00 0.00 O ATOM 1012 OP2 G B 521 -10.374 16.420 -19.414 1.00 0.00 O ATOM 1013 O5' G B 521 -11.235 14.096 -19.139 1.00 0.00 O ATOM 1014 C5' G B 521 -11.916 14.555 -17.973 1.00 0.00 C ATOM 1015 C4' G B 521 -12.961 13.546 -17.552 1.00 0.00 C ATOM 1016 O4' G B 521 -12.888 12.386 -18.438 1.00 0.00 O ATOM 1017 C3' G B 521 -12.552 12.671 -16.370 1.00 0.00 C ATOM 1018 O3' G B 521 -12.704 13.410 -15.160 1.00 0.00 O ATOM 1019 C2' G B 521 -13.478 11.487 -16.414 1.00 0.00 C ATOM 1020 O2' G B 521 -14.602 11.944 -15.697 1.00 0.00 O ATOM 1021 C1' G B 521 -13.677 11.339 -17.920 1.00 0.00 C ATOM 1022 N9 G B 521 -13.238 10.030 -18.447 1.00 0.00 N ATOM 1023 C8 G B 521 -12.016 9.469 -18.335 1.00 0.00 C ATOM 1024 N7 G B 521 -11.942 8.278 -18.920 1.00 0.00 N ATOM 1025 C5 G B 521 -13.197 8.084 -19.428 1.00 0.00 C ATOM 1026 C6 G B 521 -13.755 7.012 -20.159 1.00 0.00 C ATOM 1027 O6 G B 521 -13.159 5.988 -20.487 1.00 0.00 O ATOM 1028 N1 G B 521 -15.060 7.119 -20.530 1.00 0.00 N ATOM 1029 C2 G B 521 -15.741 8.234 -20.182 1.00 0.00 C ATOM 1030 N2 G B 521 -16.998 8.188 -20.616 1.00 0.00 N ATOM 1031 N3 G B 521 -15.314 9.309 -19.493 1.00 0.00 N ATOM 1032 C4 G B 521 -14.006 9.140 -19.152 1.00 0.00 C ATOM 0 H5' G B 521 -12.388 15.517 -18.173 1.00 0.00 H new ATOM 0 H5'' G B 521 -11.203 14.711 -17.164 1.00 0.00 H new ATOM 0 H4' G B 521 -13.853 14.165 -17.455 1.00 0.00 H new ATOM 0 H3' G B 521 -11.511 12.351 -16.417 1.00 0.00 H new ATOM 0 H2' G B 521 -13.183 10.527 -15.990 1.00 0.00 H new ATOM 0 HO2' G B 521 -14.346 12.708 -15.139 1.00 0.00 H new ATOM 0 H1' G B 521 -14.729 11.388 -18.200 1.00 0.00 H new ATOM 0 H8 G B 521 -11.187 9.937 -17.825 1.00 0.00 H new ATOM 0 H1 G B 521 -15.514 6.374 -21.059 1.00 0.00 H new ATOM 0 H21 G B 521 -17.632 8.964 -20.426 1.00 0.00 H new ATOM 0 H22 G B 521 -17.328 7.377 -21.139 1.00 0.00 H new ATOM 1044 P C B 522 -11.698 13.162 -13.940 1.00 0.00 P ATOM 1045 OP1 C B 522 -11.877 14.222 -12.923 1.00 0.00 O ATOM 1046 OP2 C B 522 -10.331 12.937 -14.460 1.00 0.00 O ATOM 1047 O5' C B 522 -12.222 11.785 -13.316 1.00 0.00 O ATOM 1048 C5' C B 522 -13.469 11.744 -12.625 1.00 0.00 C ATOM 1049 C4' C B 522 -13.246 11.922 -11.139 1.00 0.00 C ATOM 1050 O4' C B 522 -14.198 12.929 -10.753 1.00 0.00 O ATOM 1051 C3' C B 522 -13.729 10.754 -10.285 1.00 0.00 C ATOM 1052 O3' C B 522 -12.618 9.930 -9.934 1.00 0.00 O ATOM 1053 C2' C B 522 -14.356 11.382 -9.072 1.00 0.00 C ATOM 1054 O2' C B 522 -13.236 11.702 -8.276 1.00 0.00 O ATOM 1055 C1' C B 522 -15.071 12.572 -9.705 1.00 0.00 C ATOM 1056 N1 C B 522 -16.417 12.245 -10.218 1.00 0.00 N ATOM 1057 C2 C B 522 -17.515 12.638 -9.455 1.00 0.00 C ATOM 1058 O2 C B 522 -17.314 13.237 -8.392 1.00 0.00 O ATOM 1059 N3 C B 522 -18.752 12.352 -9.902 1.00 0.00 N ATOM 1060 C4 C B 522 -18.949 11.712 -11.037 1.00 0.00 C ATOM 1061 N4 C B 522 -20.176 11.439 -11.460 1.00 0.00 N ATOM 1062 C5 C B 522 -17.828 11.294 -11.847 1.00 0.00 C ATOM 1063 C6 C B 522 -16.602 11.586 -11.389 1.00 0.00 C ATOM 0 H5' C B 522 -13.968 10.793 -12.815 1.00 0.00 H new ATOM 0 H5'' C B 522 -14.127 12.529 -12.999 1.00 0.00 H new ATOM 0 H4' C B 522 -12.180 12.096 -10.993 1.00 0.00 H new ATOM 0 H3' C B 522 -14.443 10.115 -10.805 1.00 0.00 H new ATOM 0 H2' C B 522 -15.058 10.826 -8.450 1.00 0.00 H new ATOM 0 HO2' C B 522 -12.445 11.240 -8.624 1.00 0.00 H new ATOM 0 H1' C B 522 -15.259 13.369 -8.985 1.00 0.00 H new ATOM 0 H41 C B 522 -20.313 10.943 -12.341 1.00 0.00 H new ATOM 0 H42 C B 522 -20.982 11.725 -10.905 1.00 0.00 H new ATOM 0 H5 C B 522 -17.971 10.770 -12.780 1.00 0.00 H new ATOM 0 H6 C B 522 -15.740 11.289 -11.967 1.00 0.00 H new ATOM 1075 P U B 523 -12.851 8.590 -9.093 1.00 0.00 P ATOM 1076 OP1 U B 523 -12.742 7.416 -9.986 1.00 0.00 O ATOM 1077 OP2 U B 523 -14.082 8.718 -8.280 1.00 0.00 O ATOM 1078 O5' U B 523 -11.599 8.570 -8.095 1.00 0.00 O ATOM 1079 C5' U B 523 -10.671 7.489 -8.138 1.00 0.00 C ATOM 1080 C4' U B 523 -9.830 7.476 -6.882 1.00 0.00 C ATOM 1081 O4' U B 523 -9.153 8.757 -6.861 1.00 0.00 O ATOM 1082 C3' U B 523 -10.613 7.730 -5.597 1.00 0.00 C ATOM 1083 O3' U B 523 -11.102 6.481 -5.084 1.00 0.00 O ATOM 1084 C2' U B 523 -9.632 8.369 -4.654 1.00 0.00 C ATOM 1085 O2' U B 523 -8.860 7.273 -4.218 1.00 0.00 O ATOM 1086 C1' U B 523 -8.922 9.338 -5.596 1.00 0.00 C ATOM 1087 N1 U B 523 -9.453 10.715 -5.535 1.00 0.00 N ATOM 1088 C2 U B 523 -8.593 11.709 -5.887 1.00 0.00 C ATOM 1089 O2 U B 523 -7.440 11.514 -6.239 1.00 0.00 O ATOM 1090 N3 U B 523 -9.085 12.994 -5.831 1.00 0.00 N ATOM 1091 C4 U B 523 -10.366 13.299 -5.447 1.00 0.00 C ATOM 1092 O4 U B 523 -10.699 14.483 -5.435 1.00 0.00 O ATOM 1093 C5 U B 523 -11.223 12.224 -5.092 1.00 0.00 C ATOM 1094 C6 U B 523 -10.725 10.988 -5.152 1.00 0.00 C ATOM 0 H5' U B 523 -10.029 7.585 -9.014 1.00 0.00 H new ATOM 0 H5'' U B 523 -11.206 6.544 -8.237 1.00 0.00 H new ATOM 0 H4' U B 523 -9.291 6.529 -6.905 1.00 0.00 H new ATOM 0 H3' U B 523 -11.481 8.373 -5.747 1.00 0.00 H new ATOM 0 H2' U B 523 -9.973 8.906 -3.769 1.00 0.00 H new ATOM 0 HO2' U B 523 -9.436 6.486 -4.120 1.00 0.00 H new ATOM 0 HO3' U B 523 -11.604 6.641 -4.258 1.00 0.00 H new ATOM 0 H1' U B 523 -7.869 9.460 -5.342 1.00 0.00 H new ATOM 0 H3 U B 523 -8.463 13.760 -6.089 1.00 0.00 H new ATOM 0 H5 U B 523 -12.243 12.401 -4.784 1.00 0.00 H new ATOM 0 H6 U B 523 -11.367 10.163 -4.882 1.00 0.00 H new TER 1105 U B 523 HETATM 1106 ZN ZN A 57 -14.029 -0.267 -23.011 1.00 0.00 ZN