USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 516 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 34 HIS HE2 : A 34 HIS NE2 : A 57 ZNZN :(H bumps) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -2.7! C(o=-2.7!,f=-5.3!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.0255 X(o=-0.025,f=-0.19) USER MOD Single : A 12 GLN : amide:sc=-0.00677 X(o=-0.0068,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc=-0.00682 X(o=-0.0068,f=-0.058) USER MOD Single : A 25 GLN : amide:sc= -0.485 K(o=-0.49,f=-2.5!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -156:sc= 0.0278 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -116:sc= 0.131 (180deg=-1.77!) USER MOD Single : A 52 GLN : amide:sc=-0.00416 K(o=-0.0042,f=-0.87) 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 -15:sc= 0.394 USER MOD Single : B 518 U O2' : rot -88:sc= 1.15 USER MOD Single : B 519 U O2' : rot -34:sc= 0.398 USER MOD Single : B 520 U O2' : rot -29:sc= 0.445 USER MOD Single : B 521 G O2' : rot -6:sc= 0.609 USER MOD Single : B 522 C O2' : rot -33:sc= 0.429 USER MOD Single : B 523 U O2' : rot -26:sc= 0.482 USER MOD Single : B 523 U O3' : rot 180:sc= 0.362 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.097 15.034 -79.255 1.00 0.00 N ATOM 2 CA ALA A 1 2.408 14.685 -78.025 1.00 0.00 C ATOM 3 C ALA A 1 0.916 14.987 -78.177 1.00 0.00 C ATOM 4 O ALA A 1 0.540 16.089 -78.572 1.00 0.00 O ATOM 5 CB ALA A 1 3.040 15.440 -76.853 1.00 0.00 C ATOM 0 H1 ALA A 1 4.112 14.830 -79.154 1.00 0.00 H new ATOM 0 H2 ALA A 1 2.708 14.476 -80.041 1.00 0.00 H new ATOM 0 H3 ALA A 1 2.966 16.047 -79.451 1.00 0.00 H new ATOM 0 HA ALA A 1 2.509 13.620 -77.818 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.523 15.178 -75.930 1.00 0.00 H new ATOM 0 HB2 ALA A 1 4.092 15.167 -76.769 1.00 0.00 H new ATOM 0 HB3 ALA A 1 2.956 16.513 -77.024 1.00 0.00 H new ATOM 11 N THR A 2 0.107 13.988 -77.856 1.00 0.00 N ATOM 12 CA THR A 2 -1.335 14.134 -77.952 1.00 0.00 C ATOM 13 C THR A 2 -2.037 12.989 -77.220 1.00 0.00 C ATOM 14 O THR A 2 -2.005 11.845 -77.671 1.00 0.00 O ATOM 15 CB THR A 2 -1.704 14.223 -79.434 1.00 0.00 C ATOM 16 OG1 THR A 2 -3.006 14.801 -79.434 1.00 0.00 O ATOM 17 CG2 THR A 2 -1.907 12.846 -80.070 1.00 0.00 C ATOM 0 H THR A 2 0.423 13.075 -77.529 1.00 0.00 H new ATOM 0 HA THR A 2 -1.673 15.047 -77.462 1.00 0.00 H new ATOM 0 HB THR A 2 -0.922 14.759 -79.971 1.00 0.00 H new ATOM 0 HG1 THR A 2 -3.322 14.896 -80.357 1.00 0.00 H new ATOM 0 HG21 THR A 2 -2.167 12.966 -81.122 1.00 0.00 H new ATOM 0 HG22 THR A 2 -0.987 12.268 -79.987 1.00 0.00 H new ATOM 0 HG23 THR A 2 -2.712 12.322 -79.555 1.00 0.00 H new ATOM 25 N VAL A 3 -2.656 13.335 -76.100 1.00 0.00 N ATOM 26 CA VAL A 3 -3.364 12.351 -75.301 1.00 0.00 C ATOM 27 C VAL A 3 -4.124 13.062 -74.179 1.00 0.00 C ATOM 28 O VAL A 3 -3.843 14.220 -73.871 1.00 0.00 O ATOM 29 CB VAL A 3 -2.386 11.295 -74.783 1.00 0.00 C ATOM 30 CG1 VAL A 3 -1.460 11.881 -73.715 1.00 0.00 C ATOM 31 CG2 VAL A 3 -3.132 10.070 -74.250 1.00 0.00 C ATOM 0 H VAL A 3 -2.681 14.284 -75.728 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.099 11.824 -75.909 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.768 10.972 -75.621 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.775 11.109 -73.364 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.889 12.706 -74.141 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.055 12.246 -72.878 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.413 9.335 -73.888 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.787 10.370 -73.432 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -3.728 9.631 -75.050 1.00 0.00 H new ATOM 41 N VAL A 4 -5.070 12.340 -73.597 1.00 0.00 N ATOM 42 CA VAL A 4 -5.871 12.887 -72.516 1.00 0.00 C ATOM 43 C VAL A 4 -5.804 11.947 -71.310 1.00 0.00 C ATOM 44 O VAL A 4 -5.996 10.740 -71.449 1.00 0.00 O ATOM 45 CB VAL A 4 -7.301 13.138 -73.000 1.00 0.00 C ATOM 46 CG1 VAL A 4 -7.370 14.384 -73.885 1.00 0.00 C ATOM 47 CG2 VAL A 4 -7.856 11.914 -73.732 1.00 0.00 C ATOM 0 H VAL A 4 -5.300 11.380 -73.854 1.00 0.00 H new ATOM 0 HA VAL A 4 -5.475 13.852 -72.198 1.00 0.00 H new ATOM 0 HB VAL A 4 -7.924 13.315 -72.123 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -8.397 14.539 -74.215 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -7.036 15.252 -73.317 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -6.726 14.249 -74.754 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -8.873 12.120 -74.065 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -7.229 11.691 -74.596 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -7.861 11.058 -73.057 1.00 0.00 H new ATOM 57 N SER A 5 -5.532 12.537 -70.155 1.00 0.00 N ATOM 58 CA SER A 5 -5.437 11.768 -68.927 1.00 0.00 C ATOM 59 C SER A 5 -4.825 12.626 -67.818 1.00 0.00 C ATOM 60 O SER A 5 -3.932 13.433 -68.073 1.00 0.00 O ATOM 61 CB SER A 5 -4.608 10.499 -69.135 1.00 0.00 C ATOM 62 OG SER A 5 -4.129 9.966 -67.902 1.00 0.00 O ATOM 0 H SER A 5 -5.375 13.539 -70.044 1.00 0.00 H new ATOM 0 HA SER A 5 -6.443 11.468 -68.632 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.214 9.749 -69.643 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.763 10.721 -69.787 1.00 0.00 H new ATOM 0 HG SER A 5 -3.606 9.156 -68.077 1.00 0.00 H new ATOM 68 N GLY A 6 -5.331 12.423 -66.610 1.00 0.00 N ATOM 69 CA GLY A 6 -4.845 13.168 -65.461 1.00 0.00 C ATOM 70 C GLY A 6 -5.992 13.519 -64.510 1.00 0.00 C ATOM 71 O GLY A 6 -7.017 14.047 -64.938 1.00 0.00 O ATOM 0 H GLY A 6 -6.072 11.754 -66.402 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.096 12.579 -64.931 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.354 14.081 -65.797 1.00 0.00 H new ATOM 75 N GLN A 7 -5.781 13.210 -63.240 1.00 0.00 N ATOM 76 CA GLN A 7 -6.783 13.485 -62.225 1.00 0.00 C ATOM 77 C GLN A 7 -6.218 13.209 -60.830 1.00 0.00 C ATOM 78 O GLN A 7 -5.393 12.315 -60.658 1.00 0.00 O ATOM 79 CB GLN A 7 -8.053 12.669 -62.473 1.00 0.00 C ATOM 80 CG GLN A 7 -9.103 13.498 -63.214 1.00 0.00 C ATOM 81 CD GLN A 7 -9.350 12.943 -64.619 1.00 0.00 C ATOM 82 OE1 GLN A 7 -8.916 11.858 -64.970 1.00 0.00 O ATOM 83 NE2 GLN A 7 -10.070 13.744 -65.398 1.00 0.00 N ATOM 0 H GLN A 7 -4.929 12.771 -62.890 1.00 0.00 H new ATOM 0 HA GLN A 7 -7.050 14.540 -62.284 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -7.810 11.780 -63.055 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -8.460 12.326 -61.522 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -10.036 13.498 -62.650 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -8.772 14.534 -63.282 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -10.402 14.640 -65.040 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -10.290 13.463 -66.353 1.00 0.00 H new ATOM 92 N LYS A 8 -6.684 13.996 -59.871 1.00 0.00 N ATOM 93 CA LYS A 8 -6.236 13.848 -58.497 1.00 0.00 C ATOM 94 C LYS A 8 -7.406 14.120 -57.550 1.00 0.00 C ATOM 95 O LYS A 8 -8.474 14.549 -57.986 1.00 0.00 O ATOM 96 CB LYS A 8 -5.014 14.731 -58.235 1.00 0.00 C ATOM 97 CG LYS A 8 -5.382 16.214 -58.310 1.00 0.00 C ATOM 98 CD LYS A 8 -4.754 16.874 -59.540 1.00 0.00 C ATOM 99 CE LYS A 8 -5.804 17.123 -60.624 1.00 0.00 C ATOM 100 NZ LYS A 8 -5.162 17.614 -61.864 1.00 0.00 N ATOM 0 H LYS A 8 -7.368 14.738 -60.019 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.908 12.825 -58.311 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.601 14.504 -57.252 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.237 14.508 -58.966 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.466 16.322 -58.349 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.043 16.722 -57.407 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.291 17.818 -59.254 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.962 16.237 -59.935 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -6.349 16.201 -60.830 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -6.533 17.852 -60.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -5.889 17.778 -62.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.662 18.505 -61.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -4.483 16.905 -62.208 1.00 0.00 H new ATOM 114 N GLN A 9 -7.165 13.860 -56.274 1.00 0.00 N ATOM 115 CA GLN A 9 -8.186 14.072 -55.262 1.00 0.00 C ATOM 116 C GLN A 9 -7.631 14.923 -54.118 1.00 0.00 C ATOM 117 O GLN A 9 -6.417 15.065 -53.977 1.00 0.00 O ATOM 118 CB GLN A 9 -8.727 12.739 -54.741 1.00 0.00 C ATOM 119 CG GLN A 9 -7.646 11.969 -53.980 1.00 0.00 C ATOM 120 CD GLN A 9 -7.720 10.472 -54.288 1.00 0.00 C ATOM 121 OE1 GLN A 9 -7.736 10.048 -55.431 1.00 0.00 O ATOM 122 NE2 GLN A 9 -7.764 9.699 -53.207 1.00 0.00 N ATOM 0 H GLN A 9 -6.278 13.505 -55.917 1.00 0.00 H new ATOM 0 HA GLN A 9 -9.017 14.610 -55.719 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -9.579 12.919 -54.086 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -9.088 12.138 -55.575 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -6.662 12.352 -54.252 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -7.766 12.130 -52.909 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -7.747 10.120 -52.278 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -7.815 8.685 -53.307 1.00 0.00 H new ATOM 131 N ASP A 10 -8.547 15.467 -53.330 1.00 0.00 N ATOM 132 CA ASP A 10 -8.164 16.300 -52.202 1.00 0.00 C ATOM 133 C ASP A 10 -8.618 15.633 -50.903 1.00 0.00 C ATOM 134 O ASP A 10 -9.762 15.194 -50.793 1.00 0.00 O ATOM 135 CB ASP A 10 -8.828 17.676 -52.284 1.00 0.00 C ATOM 136 CG ASP A 10 -7.870 18.864 -52.176 1.00 0.00 C ATOM 137 OD1 ASP A 10 -6.687 18.613 -51.856 1.00 0.00 O ATOM 138 OD2 ASP A 10 -8.340 19.997 -52.416 1.00 0.00 O ATOM 0 H ASP A 10 -9.553 15.347 -53.450 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.081 16.420 -52.224 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -9.366 17.747 -53.229 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -9.569 17.753 -51.489 1.00 0.00 H new ATOM 143 N ARG A 11 -7.698 15.576 -49.951 1.00 0.00 N ATOM 144 CA ARG A 11 -7.989 14.969 -48.663 1.00 0.00 C ATOM 145 C ARG A 11 -8.238 16.051 -47.610 1.00 0.00 C ATOM 146 O ARG A 11 -7.628 17.118 -47.656 1.00 0.00 O ATOM 147 CB ARG A 11 -6.836 14.074 -48.203 1.00 0.00 C ATOM 148 CG ARG A 11 -6.660 12.880 -49.142 1.00 0.00 C ATOM 149 CD ARG A 11 -5.233 12.818 -49.688 1.00 0.00 C ATOM 150 NE ARG A 11 -4.492 11.712 -49.041 1.00 0.00 N ATOM 151 CZ ARG A 11 -4.761 10.414 -49.233 1.00 0.00 C ATOM 152 NH1 ARG A 11 -5.757 10.050 -50.052 1.00 0.00 N ATOM 153 NH2 ARG A 11 -4.036 9.479 -48.604 1.00 0.00 N ATOM 0 H ARG A 11 -6.750 15.940 -50.046 1.00 0.00 H new ATOM 0 HA ARG A 11 -8.884 14.358 -48.779 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.913 14.653 -48.168 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.028 13.719 -47.190 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.890 11.957 -48.610 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.367 12.956 -49.969 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.254 12.670 -50.768 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.723 13.764 -49.506 1.00 0.00 H new ATOM 0 HE ARG A 11 -3.729 11.953 -48.409 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.311 10.761 -50.529 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -5.962 9.061 -50.198 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.279 9.756 -47.979 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -4.241 8.491 -48.750 1.00 0.00 H new ATOM 167 N GLN A 12 -9.135 15.738 -46.687 1.00 0.00 N ATOM 168 CA GLN A 12 -9.472 16.670 -45.625 1.00 0.00 C ATOM 169 C GLN A 12 -9.561 15.938 -44.285 1.00 0.00 C ATOM 170 O GLN A 12 -9.571 14.709 -44.244 1.00 0.00 O ATOM 171 CB GLN A 12 -10.777 17.406 -45.935 1.00 0.00 C ATOM 172 CG GLN A 12 -10.526 18.899 -46.154 1.00 0.00 C ATOM 173 CD GLN A 12 -11.599 19.508 -47.059 1.00 0.00 C ATOM 174 OE1 GLN A 12 -12.782 19.487 -46.764 1.00 0.00 O ATOM 175 NE2 GLN A 12 -11.121 20.051 -48.175 1.00 0.00 N ATOM 0 H GLN A 12 -9.639 14.852 -46.653 1.00 0.00 H new ATOM 0 HA GLN A 12 -8.680 17.416 -45.558 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -11.238 16.977 -46.825 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -11.480 17.269 -45.114 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -10.519 19.415 -45.194 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -9.543 19.044 -46.601 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.118 20.035 -48.361 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.757 20.484 -48.845 1.00 0.00 H new ATOM 184 N GLY A 13 -9.621 16.725 -43.220 1.00 0.00 N ATOM 185 CA GLY A 13 -9.707 16.167 -41.881 1.00 0.00 C ATOM 186 C GLY A 13 -9.918 17.268 -40.840 1.00 0.00 C ATOM 187 O GLY A 13 -9.552 18.420 -41.068 1.00 0.00 O ATOM 0 H GLY A 13 -9.612 17.744 -43.258 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.530 15.454 -41.833 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.794 15.617 -41.653 1.00 0.00 H new ATOM 191 N GLY A 14 -10.508 16.875 -39.721 1.00 0.00 N ATOM 192 CA GLY A 14 -10.772 17.815 -38.645 1.00 0.00 C ATOM 193 C GLY A 14 -12.035 17.425 -37.874 1.00 0.00 C ATOM 194 O GLY A 14 -13.141 17.806 -38.253 1.00 0.00 O ATOM 0 H GLY A 14 -10.811 15.919 -39.536 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -9.921 17.843 -37.965 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -10.887 18.819 -39.054 1.00 0.00 H new ATOM 198 N GLU A 15 -11.827 16.671 -36.805 1.00 0.00 N ATOM 199 CA GLU A 15 -12.935 16.224 -35.976 1.00 0.00 C ATOM 200 C GLU A 15 -12.701 16.621 -34.518 1.00 0.00 C ATOM 201 O GLU A 15 -11.622 17.097 -34.166 1.00 0.00 O ATOM 202 CB GLU A 15 -13.145 14.715 -36.108 1.00 0.00 C ATOM 203 CG GLU A 15 -14.521 14.402 -36.701 1.00 0.00 C ATOM 204 CD GLU A 15 -14.890 12.933 -36.485 1.00 0.00 C ATOM 205 OE1 GLU A 15 -13.961 12.099 -36.551 1.00 0.00 O ATOM 206 OE2 GLU A 15 -16.092 12.677 -36.258 1.00 0.00 O ATOM 0 H GLU A 15 -10.908 16.358 -36.493 1.00 0.00 H new ATOM 0 HA GLU A 15 -13.844 16.715 -36.323 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -12.367 14.290 -36.742 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -13.051 14.244 -35.129 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -15.274 15.041 -36.240 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -14.521 14.628 -37.767 1.00 0.00 H new ATOM 213 N ARG A 16 -13.727 16.408 -33.707 1.00 0.00 N ATOM 214 CA ARG A 16 -13.646 16.737 -32.295 1.00 0.00 C ATOM 215 C ARG A 16 -12.883 15.647 -31.539 1.00 0.00 C ATOM 216 O ARG A 16 -12.955 14.473 -31.897 1.00 0.00 O ATOM 217 CB ARG A 16 -15.040 16.891 -31.684 1.00 0.00 C ATOM 218 CG ARG A 16 -15.174 18.227 -30.951 1.00 0.00 C ATOM 219 CD ARG A 16 -16.090 18.096 -29.734 1.00 0.00 C ATOM 220 NE ARG A 16 -16.285 19.420 -29.101 1.00 0.00 N ATOM 221 CZ ARG A 16 -17.059 20.388 -29.607 1.00 0.00 C ATOM 222 NH1 ARG A 16 -17.718 20.188 -30.757 1.00 0.00 N ATOM 223 NH2 ARG A 16 -17.176 21.558 -28.964 1.00 0.00 N ATOM 0 H ARG A 16 -14.619 16.011 -34.002 1.00 0.00 H new ATOM 0 HA ARG A 16 -13.116 17.685 -32.206 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -15.794 16.826 -32.469 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -15.229 16.071 -30.991 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -14.190 18.572 -30.634 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -15.572 18.980 -31.631 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -17.052 17.683 -30.036 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -15.656 17.401 -29.015 1.00 0.00 H new ATOM 0 HE ARG A 16 -15.799 19.606 -28.224 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -17.630 19.298 -31.247 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -18.308 20.926 -31.142 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -16.675 21.711 -28.089 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -17.766 22.295 -29.350 1.00 0.00 H new ATOM 237 N ARG A 17 -12.171 16.075 -30.508 1.00 0.00 N ATOM 238 CA ARG A 17 -11.395 15.151 -29.698 1.00 0.00 C ATOM 239 C ARG A 17 -12.321 14.158 -28.991 1.00 0.00 C ATOM 240 O ARG A 17 -12.187 12.948 -29.164 1.00 0.00 O ATOM 241 CB ARG A 17 -10.565 15.896 -28.652 1.00 0.00 C ATOM 242 CG ARG A 17 -9.084 15.913 -29.038 1.00 0.00 C ATOM 243 CD ARG A 17 -8.320 16.965 -28.231 1.00 0.00 C ATOM 244 NE ARG A 17 -6.878 16.909 -28.564 1.00 0.00 N ATOM 245 CZ ARG A 17 -5.912 17.445 -27.807 1.00 0.00 C ATOM 246 NH1 ARG A 17 -6.225 18.081 -26.669 1.00 0.00 N ATOM 247 NH2 ARG A 17 -4.631 17.345 -28.187 1.00 0.00 N ATOM 0 H ARG A 17 -12.115 17.050 -30.214 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.720 14.614 -30.364 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.931 16.918 -28.553 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.686 15.419 -27.679 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.648 14.929 -28.865 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.984 16.123 -30.103 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -8.714 17.958 -28.448 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -8.463 16.791 -27.164 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.604 16.433 -29.423 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -7.200 18.157 -26.379 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -5.488 18.489 -26.093 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -4.392 16.861 -29.052 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.895 17.753 -27.611 1.00 0.00 H new ATOM 261 N ARG A 18 -13.240 14.708 -28.211 1.00 0.00 N ATOM 262 CA ARG A 18 -14.188 13.887 -27.478 1.00 0.00 C ATOM 263 C ARG A 18 -15.407 13.578 -28.349 1.00 0.00 C ATOM 264 O ARG A 18 -16.542 13.829 -27.945 1.00 0.00 O ATOM 265 CB ARG A 18 -14.648 14.586 -26.197 1.00 0.00 C ATOM 266 CG ARG A 18 -13.482 15.307 -25.517 1.00 0.00 C ATOM 267 CD ARG A 18 -13.925 15.944 -24.199 1.00 0.00 C ATOM 268 NE ARG A 18 -14.285 17.363 -24.417 1.00 0.00 N ATOM 269 CZ ARG A 18 -13.392 18.340 -24.626 1.00 0.00 C ATOM 270 NH1 ARG A 18 -12.082 18.058 -24.647 1.00 0.00 N ATOM 271 NH2 ARG A 18 -13.809 19.600 -24.815 1.00 0.00 N ATOM 0 H ARG A 18 -13.348 15.713 -28.071 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.684 12.958 -27.210 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -15.436 15.302 -26.432 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -15.076 13.854 -25.513 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -12.673 14.601 -25.330 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -13.087 16.075 -26.182 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -14.779 15.402 -23.793 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -13.123 15.873 -23.464 1.00 0.00 H new ATOM 0 HE ARG A 18 -15.274 17.613 -24.408 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.764 17.099 -24.504 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -11.403 18.802 -24.806 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -14.806 19.815 -24.800 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -13.129 20.344 -24.974 1.00 0.00 H new ATOM 285 N SER A 19 -15.132 13.037 -29.526 1.00 0.00 N ATOM 286 CA SER A 19 -16.192 12.692 -30.457 1.00 0.00 C ATOM 287 C SER A 19 -17.386 12.109 -29.698 1.00 0.00 C ATOM 288 O SER A 19 -17.401 10.922 -29.375 1.00 0.00 O ATOM 289 CB SER A 19 -15.698 11.699 -31.512 1.00 0.00 C ATOM 290 OG SER A 19 -15.589 12.298 -32.800 1.00 0.00 O ATOM 0 H SER A 19 -14.190 12.829 -29.857 1.00 0.00 H new ATOM 0 HA SER A 19 -16.504 13.601 -30.971 1.00 0.00 H new ATOM 0 HB2 SER A 19 -14.727 11.305 -31.212 1.00 0.00 H new ATOM 0 HB3 SER A 19 -16.383 10.853 -31.563 1.00 0.00 H new ATOM 0 HG SER A 19 -15.269 11.632 -33.444 1.00 0.00 H new ATOM 296 N GLN A 20 -18.358 12.970 -29.437 1.00 0.00 N ATOM 297 CA GLN A 20 -19.553 12.556 -28.722 1.00 0.00 C ATOM 298 C GLN A 20 -19.190 11.573 -27.606 1.00 0.00 C ATOM 299 O GLN A 20 -19.706 10.457 -27.564 1.00 0.00 O ATOM 300 CB GLN A 20 -20.580 11.945 -29.677 1.00 0.00 C ATOM 301 CG GLN A 20 -21.696 12.943 -29.992 1.00 0.00 C ATOM 302 CD GLN A 20 -21.517 13.541 -31.389 1.00 0.00 C ATOM 303 OE1 GLN A 20 -20.502 14.137 -31.713 1.00 0.00 O ATOM 304 NE2 GLN A 20 -22.557 13.352 -32.196 1.00 0.00 N ATOM 0 H GLN A 20 -18.342 13.953 -29.708 1.00 0.00 H new ATOM 0 HA GLN A 20 -20.006 13.438 -28.270 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -20.087 11.641 -30.601 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -21.006 11.046 -29.232 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -22.663 12.445 -29.927 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -21.697 13.740 -29.248 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -23.376 12.844 -31.862 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -22.536 13.715 -33.149 1.00 0.00 H new ATOM 313 N LEU A 21 -18.305 12.023 -26.729 1.00 0.00 N ATOM 314 CA LEU A 21 -17.867 11.198 -25.617 1.00 0.00 C ATOM 315 C LEU A 21 -18.948 11.194 -24.534 1.00 0.00 C ATOM 316 O LEU A 21 -18.978 12.079 -23.680 1.00 0.00 O ATOM 317 CB LEU A 21 -16.495 11.656 -25.117 1.00 0.00 C ATOM 318 CG LEU A 21 -15.603 10.568 -24.516 1.00 0.00 C ATOM 319 CD1 LEU A 21 -14.635 11.158 -23.488 1.00 0.00 C ATOM 320 CD2 LEU A 21 -16.443 9.433 -23.926 1.00 0.00 C ATOM 0 H LEU A 21 -17.879 12.949 -26.766 1.00 0.00 H new ATOM 0 HA LEU A 21 -17.734 10.165 -25.938 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -15.962 12.116 -25.949 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -16.644 12.432 -24.366 1.00 0.00 H new ATOM 0 HG LEU A 21 -15.001 10.140 -25.317 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -14.013 10.363 -23.076 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -14.001 11.902 -23.970 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -15.201 11.629 -22.684 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -15.784 8.673 -23.506 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -17.088 9.828 -23.141 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -17.056 8.988 -24.710 1.00 0.00 H new ATOM 332 N ASP A 22 -19.808 10.189 -24.603 1.00 0.00 N ATOM 333 CA ASP A 22 -20.886 10.059 -23.638 1.00 0.00 C ATOM 334 C ASP A 22 -20.296 9.858 -22.242 1.00 0.00 C ATOM 335 O ASP A 22 -19.257 9.217 -22.090 1.00 0.00 O ATOM 336 CB ASP A 22 -21.768 8.850 -23.958 1.00 0.00 C ATOM 337 CG ASP A 22 -23.125 9.185 -24.580 1.00 0.00 C ATOM 338 OD1 ASP A 22 -23.254 10.323 -25.081 1.00 0.00 O ATOM 339 OD2 ASP A 22 -24.002 8.296 -24.541 1.00 0.00 O ATOM 0 H ASP A 22 -19.780 9.457 -25.313 1.00 0.00 H new ATOM 0 HA ASP A 22 -21.488 10.967 -23.681 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -21.226 8.194 -24.639 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -21.935 8.288 -23.039 1.00 0.00 H new ATOM 344 N ARG A 23 -20.982 10.418 -21.257 1.00 0.00 N ATOM 345 CA ARG A 23 -20.538 10.308 -19.878 1.00 0.00 C ATOM 346 C ARG A 23 -20.540 8.842 -19.435 1.00 0.00 C ATOM 347 O ARG A 23 -19.995 8.507 -18.384 1.00 0.00 O ATOM 348 CB ARG A 23 -21.438 11.118 -18.943 1.00 0.00 C ATOM 349 CG ARG A 23 -20.882 12.527 -18.732 1.00 0.00 C ATOM 350 CD ARG A 23 -19.456 12.478 -18.182 1.00 0.00 C ATOM 351 NE ARG A 23 -19.313 13.428 -17.057 1.00 0.00 N ATOM 352 CZ ARG A 23 -18.137 13.811 -16.541 1.00 0.00 C ATOM 353 NH1 ARG A 23 -16.995 13.327 -17.047 1.00 0.00 N ATOM 354 NH2 ARG A 23 -18.104 14.678 -15.520 1.00 0.00 N ATOM 0 H ARG A 23 -21.843 10.950 -21.387 1.00 0.00 H new ATOM 0 HA ARG A 23 -19.525 10.706 -19.823 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -22.443 11.179 -19.362 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -21.523 10.609 -17.983 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -20.893 13.071 -19.677 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -21.523 13.075 -18.041 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -19.221 11.468 -17.847 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -18.745 12.726 -18.970 1.00 0.00 H new ATOM 0 HE ARG A 23 -20.163 13.816 -16.648 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -17.021 12.667 -17.825 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -16.100 13.618 -16.655 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -18.974 15.046 -15.136 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -17.209 14.970 -15.127 1.00 0.00 H new ATOM 368 N ASP A 24 -21.159 8.010 -20.259 1.00 0.00 N ATOM 369 CA ASP A 24 -21.239 6.589 -19.965 1.00 0.00 C ATOM 370 C ASP A 24 -20.595 5.799 -21.106 1.00 0.00 C ATOM 371 O ASP A 24 -21.020 4.687 -21.413 1.00 0.00 O ATOM 372 CB ASP A 24 -22.694 6.134 -19.838 1.00 0.00 C ATOM 373 CG ASP A 24 -23.535 6.294 -21.107 1.00 0.00 C ATOM 374 OD1 ASP A 24 -22.919 6.345 -22.193 1.00 0.00 O ATOM 375 OD2 ASP A 24 -24.774 6.362 -20.961 1.00 0.00 O ATOM 0 H ASP A 24 -21.610 8.292 -21.130 1.00 0.00 H new ATOM 0 HA ASP A 24 -20.721 6.410 -19.023 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -22.706 5.085 -19.542 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -23.166 6.698 -19.034 1.00 0.00 H new ATOM 380 N GLN A 25 -19.580 6.406 -21.704 1.00 0.00 N ATOM 381 CA GLN A 25 -18.873 5.774 -22.805 1.00 0.00 C ATOM 382 C GLN A 25 -17.502 5.279 -22.340 1.00 0.00 C ATOM 383 O GLN A 25 -17.115 5.496 -21.193 1.00 0.00 O ATOM 384 CB GLN A 25 -18.737 6.730 -23.991 1.00 0.00 C ATOM 385 CG GLN A 25 -18.891 5.984 -25.318 1.00 0.00 C ATOM 386 CD GLN A 25 -17.888 6.495 -26.354 1.00 0.00 C ATOM 387 OE1 GLN A 25 -16.809 6.966 -26.032 1.00 0.00 O ATOM 388 NE2 GLN A 25 -18.302 6.378 -27.612 1.00 0.00 N ATOM 0 H GLN A 25 -19.230 7.329 -21.447 1.00 0.00 H new ATOM 0 HA GLN A 25 -19.455 4.915 -23.139 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -19.492 7.513 -23.920 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -17.765 7.221 -23.957 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -18.742 4.916 -25.158 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -19.906 6.111 -25.695 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -19.217 5.974 -27.812 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -17.704 6.692 -28.377 1.00 0.00 H new ATOM 397 N CYS A 26 -16.804 4.622 -23.256 1.00 0.00 N ATOM 398 CA CYS A 26 -15.484 4.096 -22.954 1.00 0.00 C ATOM 399 C CYS A 26 -14.479 4.739 -23.912 1.00 0.00 C ATOM 400 O CYS A 26 -14.656 4.689 -25.128 1.00 0.00 O ATOM 401 CB CYS A 26 -15.453 2.567 -23.037 1.00 0.00 C ATOM 402 SG CYS A 26 -13.755 1.958 -22.729 1.00 0.00 S ATOM 0 H CYS A 26 -17.128 4.442 -24.206 1.00 0.00 H new ATOM 0 HA CYS A 26 -15.216 4.346 -21.927 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -16.139 2.141 -22.305 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -15.792 2.241 -24.020 1.00 0.00 H new ATOM 407 N ALA A 27 -13.446 5.327 -23.327 1.00 0.00 N ATOM 408 CA ALA A 27 -12.414 5.980 -24.113 1.00 0.00 C ATOM 409 C ALA A 27 -11.241 5.016 -24.307 1.00 0.00 C ATOM 410 O ALA A 27 -10.086 5.438 -24.344 1.00 0.00 O ATOM 411 CB ALA A 27 -11.991 7.280 -23.424 1.00 0.00 C ATOM 0 H ALA A 27 -13.302 5.365 -22.318 1.00 0.00 H new ATOM 0 HA ALA A 27 -12.793 6.243 -25.100 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.216 7.769 -24.014 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -12.852 7.942 -23.336 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.602 7.056 -22.431 1.00 0.00 H new ATOM 417 N TYR A 28 -11.579 3.741 -24.427 1.00 0.00 N ATOM 418 CA TYR A 28 -10.569 2.713 -24.617 1.00 0.00 C ATOM 419 C TYR A 28 -10.899 1.835 -25.825 1.00 0.00 C ATOM 420 O TYR A 28 -10.081 1.684 -26.731 1.00 0.00 O ATOM 421 CB TYR A 28 -10.601 1.852 -23.352 1.00 0.00 C ATOM 422 CG TYR A 28 -9.297 1.101 -23.079 1.00 0.00 C ATOM 423 CD1 TYR A 28 -8.233 1.754 -22.489 1.00 0.00 C ATOM 424 CD2 TYR A 28 -9.182 -0.231 -23.422 1.00 0.00 C ATOM 425 CE1 TYR A 28 -7.005 1.046 -22.232 1.00 0.00 C ATOM 426 CE2 TYR A 28 -7.955 -0.939 -23.165 1.00 0.00 C ATOM 427 CZ TYR A 28 -6.927 -0.266 -22.583 1.00 0.00 C ATOM 428 OH TYR A 28 -5.769 -0.934 -22.340 1.00 0.00 O ATOM 0 H TYR A 28 -12.538 3.396 -24.396 1.00 0.00 H new ATOM 0 HA TYR A 28 -9.592 3.163 -24.793 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -10.828 2.489 -22.497 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -11.413 1.130 -23.436 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -8.321 2.796 -22.220 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -10.013 -0.743 -23.884 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -6.166 1.545 -21.771 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -7.853 -1.981 -23.429 1.00 0.00 H new ATOM 0 HH TYR A 28 -5.857 -1.862 -22.641 1.00 0.00 H new ATOM 438 N CYS A 29 -12.101 1.279 -25.801 1.00 0.00 N ATOM 439 CA CYS A 29 -12.552 0.421 -26.883 1.00 0.00 C ATOM 440 C CYS A 29 -13.587 1.188 -27.707 1.00 0.00 C ATOM 441 O CYS A 29 -13.793 0.893 -28.884 1.00 0.00 O ATOM 442 CB CYS A 29 -13.107 -0.905 -26.359 1.00 0.00 C ATOM 443 SG CYS A 29 -14.553 -0.597 -25.282 1.00 0.00 S ATOM 0 H CYS A 29 -12.777 1.406 -25.048 1.00 0.00 H new ATOM 0 HA CYS A 29 -11.706 0.159 -27.519 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -13.395 -1.543 -27.194 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -12.335 -1.437 -25.802 1.00 0.00 H new ATOM 448 N LYS A 30 -14.214 2.157 -27.056 1.00 0.00 N ATOM 449 CA LYS A 30 -15.224 2.969 -27.713 1.00 0.00 C ATOM 450 C LYS A 30 -16.603 2.349 -27.477 1.00 0.00 C ATOM 451 O LYS A 30 -17.522 2.551 -28.270 1.00 0.00 O ATOM 452 CB LYS A 30 -14.880 3.159 -29.192 1.00 0.00 C ATOM 453 CG LYS A 30 -15.317 4.541 -29.683 1.00 0.00 C ATOM 454 CD LYS A 30 -14.120 5.344 -30.195 1.00 0.00 C ATOM 455 CE LYS A 30 -14.020 6.693 -29.480 1.00 0.00 C ATOM 456 NZ LYS A 30 -14.498 7.783 -30.361 1.00 0.00 N ATOM 0 H LYS A 30 -14.042 2.398 -26.080 1.00 0.00 H new ATOM 0 HA LYS A 30 -15.246 3.971 -27.284 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -13.806 3.040 -29.338 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -15.370 2.387 -29.785 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -16.054 4.432 -30.479 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -15.803 5.083 -28.871 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -13.203 4.776 -30.039 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -14.217 5.504 -31.269 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -14.612 6.671 -28.565 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -12.987 6.880 -29.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -14.423 8.692 -29.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.916 7.813 -31.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -15.491 7.611 -30.619 1.00 0.00 H new ATOM 470 N GLU A 31 -16.704 1.607 -26.384 1.00 0.00 N ATOM 471 CA GLU A 31 -17.956 0.957 -26.034 1.00 0.00 C ATOM 472 C GLU A 31 -18.788 1.863 -25.126 1.00 0.00 C ATOM 473 O GLU A 31 -18.279 2.844 -24.586 1.00 0.00 O ATOM 474 CB GLU A 31 -17.702 -0.399 -25.374 1.00 0.00 C ATOM 475 CG GLU A 31 -19.000 -1.201 -25.250 1.00 0.00 C ATOM 476 CD GLU A 31 -19.684 -0.933 -23.909 1.00 0.00 C ATOM 477 OE1 GLU A 31 -19.206 -0.023 -23.198 1.00 0.00 O ATOM 478 OE2 GLU A 31 -20.671 -1.646 -23.623 1.00 0.00 O ATOM 0 H GLU A 31 -15.940 1.441 -25.729 1.00 0.00 H new ATOM 0 HA GLU A 31 -18.520 0.778 -26.950 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -16.977 -0.963 -25.961 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -17.266 -0.251 -24.386 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -19.674 -0.937 -26.065 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -18.785 -2.265 -25.346 1.00 0.00 H new ATOM 485 N LYS A 32 -20.056 1.503 -24.985 1.00 0.00 N ATOM 486 CA LYS A 32 -20.964 2.271 -24.151 1.00 0.00 C ATOM 487 C LYS A 32 -21.568 1.355 -23.085 1.00 0.00 C ATOM 488 O LYS A 32 -22.079 0.282 -23.399 1.00 0.00 O ATOM 489 CB LYS A 32 -22.009 2.983 -25.012 1.00 0.00 C ATOM 490 CG LYS A 32 -21.414 4.226 -25.679 1.00 0.00 C ATOM 491 CD LYS A 32 -22.180 4.583 -26.955 1.00 0.00 C ATOM 492 CE LYS A 32 -22.928 5.908 -26.793 1.00 0.00 C ATOM 493 NZ LYS A 32 -24.241 5.847 -27.475 1.00 0.00 N ATOM 0 H LYS A 32 -20.475 0.689 -25.435 1.00 0.00 H new ATOM 0 HA LYS A 32 -20.425 3.060 -23.627 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -22.383 2.300 -25.775 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -22.861 3.269 -24.395 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -21.445 5.066 -24.985 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -20.365 4.048 -25.918 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -21.486 4.653 -27.792 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -22.887 3.789 -27.193 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -23.071 6.125 -25.734 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -22.333 6.722 -27.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -24.736 6.754 -27.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -24.098 5.661 -28.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -24.812 5.083 -27.060 1.00 0.00 H new ATOM 507 N GLY A 33 -21.488 1.813 -21.844 1.00 0.00 N ATOM 508 CA GLY A 33 -22.021 1.049 -20.728 1.00 0.00 C ATOM 509 C GLY A 33 -20.979 0.903 -19.617 1.00 0.00 C ATOM 510 O GLY A 33 -21.331 0.772 -18.445 1.00 0.00 O ATOM 0 H GLY A 33 -21.062 2.703 -21.587 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -22.910 1.543 -20.336 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -22.331 0.063 -21.073 1.00 0.00 H new ATOM 514 N HIS A 34 -19.719 0.930 -20.024 1.00 0.00 N ATOM 515 CA HIS A 34 -18.623 0.802 -19.078 1.00 0.00 C ATOM 516 C HIS A 34 -17.616 1.932 -19.302 1.00 0.00 C ATOM 517 O HIS A 34 -17.620 2.571 -20.353 1.00 0.00 O ATOM 518 CB HIS A 34 -17.987 -0.587 -19.167 1.00 0.00 C ATOM 519 CG HIS A 34 -17.188 -0.815 -20.427 1.00 0.00 C ATOM 520 ND1 HIS A 34 -17.690 -1.504 -21.518 1.00 0.00 N ATOM 521 CD2 HIS A 34 -15.920 -0.440 -20.759 1.00 0.00 C ATOM 522 CE1 HIS A 34 -16.756 -1.536 -22.458 1.00 0.00 C ATOM 523 NE2 HIS A 34 -15.660 -0.878 -21.985 1.00 0.00 N ATOM 0 H HIS A 34 -19.432 1.039 -20.997 1.00 0.00 H new ATOM 0 HA HIS A 34 -19.003 0.898 -18.061 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -17.337 -0.734 -18.305 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -18.773 -1.340 -19.106 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -18.620 -1.917 -21.587 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -15.242 0.119 -20.131 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -16.847 -2.002 -23.428 1.00 0.00 H new ATOM 531 N TRP A 35 -16.778 2.142 -18.298 1.00 0.00 N ATOM 532 CA TRP A 35 -15.767 3.184 -18.373 1.00 0.00 C ATOM 533 C TRP A 35 -14.448 2.532 -18.795 1.00 0.00 C ATOM 534 O TRP A 35 -14.271 1.325 -18.643 1.00 0.00 O ATOM 535 CB TRP A 35 -15.662 3.943 -17.049 1.00 0.00 C ATOM 536 CG TRP A 35 -16.607 5.141 -16.943 1.00 0.00 C ATOM 537 CD1 TRP A 35 -17.851 5.257 -17.427 1.00 0.00 C ATOM 538 CD2 TRP A 35 -16.330 6.398 -16.289 1.00 0.00 C ATOM 539 NE1 TRP A 35 -18.394 6.492 -17.133 1.00 0.00 N ATOM 540 CE2 TRP A 35 -17.441 7.207 -16.419 1.00 0.00 C ATOM 541 CE3 TRP A 35 -15.181 6.835 -15.608 1.00 0.00 C ATOM 542 CZ2 TRP A 35 -17.510 8.503 -15.896 1.00 0.00 C ATOM 543 CZ3 TRP A 35 -15.265 8.134 -15.091 1.00 0.00 C ATOM 544 CH2 TRP A 35 -16.376 8.961 -15.214 1.00 0.00 C ATOM 0 H TRP A 35 -16.778 1.609 -17.428 1.00 0.00 H new ATOM 0 HA TRP A 35 -16.039 3.933 -19.116 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -15.871 3.255 -16.230 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -14.637 4.290 -16.921 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -18.364 4.482 -17.978 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -19.325 6.819 -17.393 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -14.302 6.218 -15.492 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -18.391 9.117 -16.012 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -14.407 8.520 -14.560 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -16.364 9.952 -14.785 1.00 0.00 H new ATOM 555 N ALA A 36 -13.557 3.361 -19.317 1.00 0.00 N ATOM 556 CA ALA A 36 -12.259 2.882 -19.762 1.00 0.00 C ATOM 557 C ALA A 36 -11.522 2.247 -18.581 1.00 0.00 C ATOM 558 O ALA A 36 -10.797 1.268 -18.751 1.00 0.00 O ATOM 559 CB ALA A 36 -11.474 4.037 -20.387 1.00 0.00 C ATOM 0 H ALA A 36 -13.708 4.362 -19.442 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.375 2.116 -20.528 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.501 3.677 -20.720 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -12.026 4.433 -21.239 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.335 4.825 -19.647 1.00 0.00 H new ATOM 565 N LYS A 37 -11.733 2.832 -17.411 1.00 0.00 N ATOM 566 CA LYS A 37 -11.097 2.337 -16.202 1.00 0.00 C ATOM 567 C LYS A 37 -11.690 0.972 -15.842 1.00 0.00 C ATOM 568 O LYS A 37 -11.191 0.293 -14.946 1.00 0.00 O ATOM 569 CB LYS A 37 -11.204 3.369 -15.078 1.00 0.00 C ATOM 570 CG LYS A 37 -10.105 4.427 -15.199 1.00 0.00 C ATOM 571 CD LYS A 37 -10.616 5.801 -14.762 1.00 0.00 C ATOM 572 CE LYS A 37 -10.621 6.782 -15.936 1.00 0.00 C ATOM 573 NZ LYS A 37 -10.587 8.177 -15.446 1.00 0.00 N ATOM 0 H LYS A 37 -12.335 3.644 -17.275 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.030 2.189 -16.366 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.182 3.849 -15.112 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.128 2.869 -14.112 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.251 4.141 -14.585 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.755 4.476 -16.230 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.624 5.707 -14.358 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.987 6.189 -13.961 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.760 6.595 -16.578 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.512 6.626 -16.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.989 8.809 -16.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.145 8.252 -14.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.603 8.453 -15.253 1.00 0.00 H new ATOM 587 N ASP A 38 -12.744 0.613 -16.558 1.00 0.00 N ATOM 588 CA ASP A 38 -13.410 -0.657 -16.325 1.00 0.00 C ATOM 589 C ASP A 38 -13.572 -1.394 -17.656 1.00 0.00 C ATOM 590 O ASP A 38 -14.382 -2.313 -17.767 1.00 0.00 O ATOM 591 CB ASP A 38 -14.803 -0.448 -15.728 1.00 0.00 C ATOM 592 CG ASP A 38 -15.179 -1.422 -14.609 1.00 0.00 C ATOM 593 OD1 ASP A 38 -14.296 -1.683 -13.764 1.00 0.00 O ATOM 594 OD2 ASP A 38 -16.341 -1.882 -14.625 1.00 0.00 O ATOM 0 H ASP A 38 -13.154 1.180 -17.301 1.00 0.00 H new ATOM 0 HA ASP A 38 -12.802 -1.233 -15.628 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -14.867 0.569 -15.341 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -15.541 -0.533 -16.526 1.00 0.00 H new ATOM 599 N CYS A 39 -12.788 -0.963 -18.635 1.00 0.00 N ATOM 600 CA CYS A 39 -12.836 -1.571 -19.954 1.00 0.00 C ATOM 601 C CYS A 39 -12.511 -3.058 -19.808 1.00 0.00 C ATOM 602 O CYS A 39 -11.540 -3.425 -19.148 1.00 0.00 O ATOM 603 CB CYS A 39 -11.889 -0.872 -20.932 1.00 0.00 C ATOM 604 SG CYS A 39 -12.154 -1.514 -22.625 1.00 0.00 S ATOM 0 H CYS A 39 -12.117 -0.201 -18.541 1.00 0.00 H new ATOM 0 HA CYS A 39 -13.835 -1.459 -20.375 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -12.061 0.204 -20.911 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -10.855 -1.036 -20.630 1.00 0.00 H new ATOM 609 N PRO A 40 -13.364 -3.899 -20.454 1.00 0.00 N ATOM 610 CA PRO A 40 -13.177 -5.338 -20.403 1.00 0.00 C ATOM 611 C PRO A 40 -12.016 -5.773 -21.301 1.00 0.00 C ATOM 612 O PRO A 40 -11.714 -6.961 -21.398 1.00 0.00 O ATOM 613 CB PRO A 40 -14.512 -5.924 -20.835 1.00 0.00 C ATOM 614 CG PRO A 40 -15.246 -4.804 -21.554 1.00 0.00 C ATOM 615 CD PRO A 40 -14.524 -3.501 -21.245 1.00 0.00 C ATOM 0 HA PRO A 40 -12.904 -5.691 -19.408 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -14.368 -6.781 -21.492 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -15.081 -6.275 -19.974 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -15.262 -4.986 -22.629 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -16.283 -4.753 -21.224 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -14.223 -2.989 -22.159 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -15.165 -2.815 -20.691 1.00 0.00 H new ATOM 623 N LYS A 41 -11.398 -4.787 -21.932 1.00 0.00 N ATOM 624 CA LYS A 41 -10.277 -5.051 -22.818 1.00 0.00 C ATOM 625 C LYS A 41 -8.970 -4.919 -22.034 1.00 0.00 C ATOM 626 O LYS A 41 -7.938 -5.447 -22.445 1.00 0.00 O ATOM 627 CB LYS A 41 -10.347 -4.152 -24.054 1.00 0.00 C ATOM 628 CG LYS A 41 -9.889 -4.905 -25.306 1.00 0.00 C ATOM 629 CD LYS A 41 -9.565 -3.932 -26.443 1.00 0.00 C ATOM 630 CE LYS A 41 -8.266 -4.327 -27.148 1.00 0.00 C ATOM 631 NZ LYS A 41 -8.547 -5.233 -28.284 1.00 0.00 N ATOM 0 H LYS A 41 -11.652 -3.803 -21.848 1.00 0.00 H new ATOM 0 HA LYS A 41 -10.321 -6.073 -23.194 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -11.368 -3.796 -24.192 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.721 -3.273 -23.905 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.009 -5.504 -25.073 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.669 -5.596 -25.625 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.384 -3.921 -27.162 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.475 -2.921 -26.047 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.754 -3.434 -27.506 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.596 -4.817 -26.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.654 -5.491 -28.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.016 -6.093 -27.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.168 -4.753 -28.966 1.00 0.00 H new ATOM 645 N LYS A 42 -9.056 -4.208 -20.918 1.00 0.00 N ATOM 646 CA LYS A 42 -7.894 -4.000 -20.072 1.00 0.00 C ATOM 647 C LYS A 42 -7.262 -5.352 -19.739 1.00 0.00 C ATOM 648 O LYS A 42 -7.815 -6.125 -18.958 1.00 0.00 O ATOM 649 CB LYS A 42 -8.270 -3.175 -18.840 1.00 0.00 C ATOM 650 CG LYS A 42 -8.169 -1.676 -19.131 1.00 0.00 C ATOM 651 CD LYS A 42 -8.225 -0.861 -17.837 1.00 0.00 C ATOM 652 CE LYS A 42 -7.287 0.345 -17.909 1.00 0.00 C ATOM 653 NZ LYS A 42 -7.635 1.336 -16.866 1.00 0.00 N ATOM 0 H LYS A 42 -9.913 -3.769 -20.581 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.138 -3.417 -20.598 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -9.285 -3.421 -18.529 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.612 -3.433 -18.011 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.238 -1.466 -19.657 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.983 -1.374 -19.790 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.246 -0.522 -17.660 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -7.948 -1.492 -16.993 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.255 0.019 -17.779 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.354 0.807 -18.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.950 2.219 -17.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.400 0.959 -16.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.800 1.527 -16.276 1.00 0.00 H new ATOM 667 N PRO A 43 -6.079 -5.603 -20.362 1.00 0.00 N ATOM 668 CA PRO A 43 -5.365 -6.848 -20.139 1.00 0.00 C ATOM 669 C PRO A 43 -4.683 -6.853 -18.769 1.00 0.00 C ATOM 670 O PRO A 43 -4.691 -5.844 -18.066 1.00 0.00 O ATOM 671 CB PRO A 43 -4.382 -6.951 -21.293 1.00 0.00 C ATOM 672 CG PRO A 43 -4.255 -5.545 -21.858 1.00 0.00 C ATOM 673 CD PRO A 43 -5.393 -4.711 -21.293 1.00 0.00 C ATOM 0 HA PRO A 43 -6.027 -7.714 -20.119 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -3.416 -7.324 -20.952 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.742 -7.646 -22.052 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.293 -5.110 -21.588 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.301 -5.566 -22.947 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -5.019 -3.822 -20.786 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.064 -4.370 -22.082 1.00 0.00 H new ATOM 681 N ARG A 44 -4.109 -7.998 -18.432 1.00 0.00 N ATOM 682 CA ARG A 44 -3.424 -8.147 -17.160 1.00 0.00 C ATOM 683 C ARG A 44 -2.119 -8.922 -17.347 1.00 0.00 C ATOM 684 O ARG A 44 -2.009 -9.751 -18.248 1.00 0.00 O ATOM 685 CB ARG A 44 -4.303 -8.877 -16.143 1.00 0.00 C ATOM 686 CG ARG A 44 -4.923 -10.134 -16.758 1.00 0.00 C ATOM 687 CD ARG A 44 -5.721 -10.919 -15.713 1.00 0.00 C ATOM 688 NE ARG A 44 -6.006 -12.282 -16.215 1.00 0.00 N ATOM 689 CZ ARG A 44 -5.076 -13.233 -16.375 1.00 0.00 C ATOM 690 NH1 ARG A 44 -3.795 -12.975 -16.076 1.00 0.00 N ATOM 691 NH2 ARG A 44 -5.426 -14.441 -16.835 1.00 0.00 N ATOM 0 H ARG A 44 -4.104 -8.832 -19.019 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.205 -7.148 -16.782 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -3.708 -9.150 -15.272 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.092 -8.211 -15.794 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -5.576 -9.855 -17.585 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.137 -10.766 -17.172 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -5.159 -10.976 -14.781 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -6.654 -10.401 -15.491 1.00 0.00 H new ATOM 0 HE ARG A 44 -6.971 -12.512 -16.454 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.528 -12.055 -15.727 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.087 -13.699 -16.198 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.401 -14.637 -17.064 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -4.718 -15.165 -16.957 1.00 0.00 H new ATOM 705 N GLY A 45 -1.161 -8.625 -16.480 1.00 0.00 N ATOM 706 CA GLY A 45 0.132 -9.284 -16.539 1.00 0.00 C ATOM 707 C GLY A 45 1.263 -8.300 -16.231 1.00 0.00 C ATOM 708 O GLY A 45 1.021 -7.109 -16.046 1.00 0.00 O ATOM 0 H GLY A 45 -1.255 -7.937 -15.733 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.157 -10.108 -15.826 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.280 -9.715 -17.529 1.00 0.00 H new ATOM 712 N PRO A 46 2.506 -8.850 -16.186 1.00 0.00 N ATOM 713 CA PRO A 46 2.705 -10.271 -16.416 1.00 0.00 C ATOM 714 C PRO A 46 2.259 -11.091 -15.205 1.00 0.00 C ATOM 715 O PRO A 46 1.974 -10.536 -14.145 1.00 0.00 O ATOM 716 CB PRO A 46 4.188 -10.416 -16.720 1.00 0.00 C ATOM 717 CG PRO A 46 4.846 -9.152 -16.193 1.00 0.00 C ATOM 718 CD PRO A 46 3.751 -8.137 -15.913 1.00 0.00 C ATOM 0 HA PRO A 46 2.104 -10.652 -17.242 1.00 0.00 H new ATOM 0 HB2 PRO A 46 4.601 -11.302 -16.237 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.358 -10.528 -17.791 1.00 0.00 H new ATOM 0 HG2 PRO A 46 5.410 -9.366 -15.285 1.00 0.00 H new ATOM 0 HG3 PRO A 46 5.554 -8.758 -16.922 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.789 -7.788 -14.881 1.00 0.00 H new ATOM 0 HD3 PRO A 46 3.852 -7.259 -16.551 1.00 0.00 H new ATOM 726 N ARG A 47 2.214 -12.401 -15.401 1.00 0.00 N ATOM 727 CA ARG A 47 1.808 -13.304 -14.338 1.00 0.00 C ATOM 728 C ARG A 47 2.721 -13.136 -13.122 1.00 0.00 C ATOM 729 O ARG A 47 3.894 -12.794 -13.264 1.00 0.00 O ATOM 730 CB ARG A 47 1.855 -14.760 -14.804 1.00 0.00 C ATOM 731 CG ARG A 47 0.732 -15.578 -14.161 1.00 0.00 C ATOM 732 CD ARG A 47 1.258 -16.920 -13.646 1.00 0.00 C ATOM 733 NE ARG A 47 0.528 -18.031 -14.297 1.00 0.00 N ATOM 734 CZ ARG A 47 0.965 -19.297 -14.331 1.00 0.00 C ATOM 735 NH1 ARG A 47 2.130 -19.621 -13.753 1.00 0.00 N ATOM 736 NH2 ARG A 47 0.237 -20.241 -14.943 1.00 0.00 N ATOM 0 H ARG A 47 2.452 -12.858 -16.281 1.00 0.00 H new ATOM 0 HA ARG A 47 0.783 -13.055 -14.065 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.764 -14.801 -15.889 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.820 -15.197 -14.548 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.293 -15.015 -13.337 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.061 -15.749 -14.889 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.325 -17.005 -13.851 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.136 -16.977 -12.564 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.362 -17.820 -14.747 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.685 -18.903 -13.287 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.462 -20.585 -13.779 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.650 -19.996 -15.383 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.570 -21.205 -14.969 1.00 0.00 H new ATOM 750 N GLY A 48 2.148 -13.383 -11.953 1.00 0.00 N ATOM 751 CA GLY A 48 2.896 -13.263 -10.712 1.00 0.00 C ATOM 752 C GLY A 48 1.965 -13.347 -9.501 1.00 0.00 C ATOM 753 O GLY A 48 0.769 -13.082 -9.612 1.00 0.00 O ATOM 0 H GLY A 48 1.175 -13.666 -11.839 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.644 -14.054 -10.656 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.433 -12.315 -10.697 1.00 0.00 H new ATOM 757 N PRO A 49 2.564 -13.728 -8.341 1.00 0.00 N ATOM 758 CA PRO A 49 1.803 -13.851 -7.110 1.00 0.00 C ATOM 759 C PRO A 49 1.475 -12.474 -6.529 1.00 0.00 C ATOM 760 O PRO A 49 2.375 -11.715 -6.175 1.00 0.00 O ATOM 761 CB PRO A 49 2.673 -14.692 -6.190 1.00 0.00 C ATOM 762 CG PRO A 49 4.080 -14.618 -6.765 1.00 0.00 C ATOM 763 CD PRO A 49 3.978 -14.051 -8.171 1.00 0.00 C ATOM 0 HA PRO A 49 0.833 -14.325 -7.261 1.00 0.00 H new ATOM 0 HB2 PRO A 49 2.647 -14.309 -5.170 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.320 -15.723 -6.153 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.714 -13.986 -6.143 1.00 0.00 H new ATOM 0 HG3 PRO A 49 4.537 -15.607 -6.784 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.603 -13.165 -8.287 1.00 0.00 H new ATOM 0 HD3 PRO A 49 4.311 -14.775 -8.915 1.00 0.00 H new ATOM 771 N ARG A 50 0.182 -12.194 -6.447 1.00 0.00 N ATOM 772 CA ARG A 50 -0.277 -10.923 -5.915 1.00 0.00 C ATOM 773 C ARG A 50 -0.071 -10.877 -4.400 1.00 0.00 C ATOM 774 O ARG A 50 -0.623 -11.699 -3.670 1.00 0.00 O ATOM 775 CB ARG A 50 -1.757 -10.695 -6.229 1.00 0.00 C ATOM 776 CG ARG A 50 -1.927 -9.912 -7.531 1.00 0.00 C ATOM 777 CD ARG A 50 -1.769 -8.409 -7.291 1.00 0.00 C ATOM 778 NE ARG A 50 -1.480 -7.720 -8.568 1.00 0.00 N ATOM 779 CZ ARG A 50 -0.253 -7.585 -9.089 1.00 0.00 C ATOM 780 NH1 ARG A 50 0.807 -8.093 -8.445 1.00 0.00 N ATOM 781 NH2 ARG A 50 -0.085 -6.944 -10.254 1.00 0.00 N ATOM 0 H ARG A 50 -0.562 -12.827 -6.741 1.00 0.00 H new ATOM 0 HA ARG A 50 0.308 -10.135 -6.389 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -2.268 -11.655 -6.308 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -2.227 -10.151 -5.409 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.189 -10.247 -8.260 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.910 -10.115 -7.956 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.680 -8.005 -6.849 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.962 -8.229 -6.580 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.265 -7.323 -9.085 1.00 0.00 H new ATOM 0 HH11 ARG A 50 0.679 -8.582 -7.559 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.741 -7.991 -8.841 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.892 -6.558 -10.745 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.850 -6.842 -10.650 1.00 0.00 H new ATOM 795 N PRO A 51 0.746 -9.881 -3.960 1.00 0.00 N ATOM 796 CA PRO A 51 1.032 -9.717 -2.545 1.00 0.00 C ATOM 797 C PRO A 51 -0.164 -9.107 -1.812 1.00 0.00 C ATOM 798 O PRO A 51 -1.137 -8.694 -2.440 1.00 0.00 O ATOM 799 CB PRO A 51 2.272 -8.840 -2.494 1.00 0.00 C ATOM 800 CG PRO A 51 2.361 -8.165 -3.853 1.00 0.00 C ATOM 801 CD PRO A 51 1.416 -8.890 -4.796 1.00 0.00 C ATOM 0 HA PRO A 51 1.211 -10.665 -2.038 1.00 0.00 H new ATOM 0 HB2 PRO A 51 2.196 -8.102 -1.696 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.163 -9.435 -2.294 1.00 0.00 H new ATOM 0 HG2 PRO A 51 2.089 -7.112 -3.775 1.00 0.00 H new ATOM 0 HG3 PRO A 51 3.382 -8.203 -4.232 1.00 0.00 H new ATOM 0 HD2 PRO A 51 0.700 -8.202 -5.245 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.959 -9.364 -5.614 1.00 0.00 H new ATOM 809 N GLN A 52 -0.052 -9.069 -0.492 1.00 0.00 N ATOM 810 CA GLN A 52 -1.112 -8.516 0.333 1.00 0.00 C ATOM 811 C GLN A 52 -1.404 -7.071 -0.075 1.00 0.00 C ATOM 812 O GLN A 52 -0.485 -6.266 -0.223 1.00 0.00 O ATOM 813 CB GLN A 52 -0.753 -8.605 1.818 1.00 0.00 C ATOM 814 CG GLN A 52 0.425 -7.688 2.153 1.00 0.00 C ATOM 815 CD GLN A 52 0.924 -7.934 3.579 1.00 0.00 C ATOM 816 OE1 GLN A 52 0.872 -9.035 4.100 1.00 0.00 O ATOM 817 NE2 GLN A 52 1.408 -6.850 4.177 1.00 0.00 N ATOM 0 H GLN A 52 0.757 -9.412 0.026 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.015 -9.106 0.175 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.617 -8.328 2.422 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.502 -9.634 2.074 1.00 0.00 H new ATOM 0 HG2 GLN A 52 1.236 -7.859 1.445 1.00 0.00 H new ATOM 0 HG3 GLN A 52 0.122 -6.647 2.045 1.00 0.00 H new ATOM 0 HE21 GLN A 52 1.422 -5.958 3.682 1.00 0.00 H new ATOM 0 HE22 GLN A 52 1.766 -6.910 5.130 1.00 0.00 H new ATOM 826 N THR A 53 -2.686 -6.785 -0.246 1.00 0.00 N ATOM 827 CA THR A 53 -3.110 -5.451 -0.635 1.00 0.00 C ATOM 828 C THR A 53 -2.494 -5.067 -1.981 1.00 0.00 C ATOM 829 O THR A 53 -1.274 -4.971 -2.105 1.00 0.00 O ATOM 830 CB THR A 53 -2.743 -4.489 0.498 1.00 0.00 C ATOM 831 OG1 THR A 53 -3.654 -4.819 1.543 1.00 0.00 O ATOM 832 CG2 THR A 53 -3.075 -3.034 0.161 1.00 0.00 C ATOM 0 H THR A 53 -3.445 -7.455 -0.122 1.00 0.00 H new ATOM 0 HA THR A 53 -4.189 -5.406 -0.782 1.00 0.00 H new ATOM 0 HB THR A 53 -1.679 -4.577 0.718 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.485 -4.244 2.318 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.795 -2.394 0.998 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.522 -2.731 -0.728 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.145 -2.939 -0.027 1.00 0.00 H new ATOM 840 N SER A 54 -3.366 -4.856 -2.956 1.00 0.00 N ATOM 841 CA SER A 54 -2.924 -4.484 -4.289 1.00 0.00 C ATOM 842 C SER A 54 -1.956 -3.302 -4.209 1.00 0.00 C ATOM 843 O SER A 54 -1.885 -2.622 -3.186 1.00 0.00 O ATOM 844 CB SER A 54 -4.113 -4.137 -5.188 1.00 0.00 C ATOM 845 OG SER A 54 -4.957 -5.261 -5.414 1.00 0.00 O ATOM 0 H SER A 54 -4.377 -4.936 -2.849 1.00 0.00 H new ATOM 0 HA SER A 54 -2.409 -5.338 -4.728 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.692 -3.335 -4.730 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.747 -3.760 -6.143 1.00 0.00 H new ATOM 0 HG SER A 54 -5.705 -4.998 -5.991 1.00 0.00 H new ATOM 851 N LEU A 55 -1.235 -3.094 -5.300 1.00 0.00 N ATOM 852 CA LEU A 55 -0.274 -2.005 -5.365 1.00 0.00 C ATOM 853 C LEU A 55 1.019 -2.428 -4.664 1.00 0.00 C ATOM 854 O LEU A 55 2.020 -2.714 -5.320 1.00 0.00 O ATOM 855 CB LEU A 55 -0.883 -0.718 -4.806 1.00 0.00 C ATOM 856 CG LEU A 55 -0.656 0.547 -5.635 1.00 0.00 C ATOM 857 CD1 LEU A 55 0.827 0.916 -5.677 1.00 0.00 C ATOM 858 CD2 LEU A 55 -1.250 0.398 -7.038 1.00 0.00 C ATOM 0 H LEU A 55 -1.296 -3.660 -6.146 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.018 -1.785 -6.402 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.957 -0.867 -4.694 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.478 -0.552 -3.808 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.179 1.371 -5.150 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.961 1.819 -6.273 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.187 1.094 -4.663 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.393 0.099 -6.125 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.075 1.311 -7.606 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.777 -0.442 -7.546 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.322 0.218 -6.962 1.00 0.00 H new ATOM 870 N LEU A 56 0.955 -2.456 -3.342 1.00 0.00 N ATOM 871 CA LEU A 56 2.108 -2.839 -2.544 1.00 0.00 C ATOM 872 C LEU A 56 3.225 -1.812 -2.745 1.00 0.00 C ATOM 873 O LEU A 56 3.909 -1.825 -3.767 1.00 0.00 O ATOM 874 CB LEU A 56 2.528 -4.275 -2.866 1.00 0.00 C ATOM 875 CG LEU A 56 3.042 -5.103 -1.688 1.00 0.00 C ATOM 876 CD1 LEU A 56 4.452 -4.667 -1.284 1.00 0.00 C ATOM 877 CD2 LEU A 56 2.066 -5.047 -0.511 1.00 0.00 C ATOM 0 H LEU A 56 0.122 -2.220 -2.802 1.00 0.00 H new ATOM 0 HA LEU A 56 1.857 -2.834 -1.483 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.674 -4.793 -3.303 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.306 -4.243 -3.629 1.00 0.00 H new ATOM 0 HG LEU A 56 3.105 -6.144 -2.005 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.793 -5.272 -0.444 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.130 -4.801 -2.127 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.439 -3.617 -0.993 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.456 -5.644 0.313 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.947 -4.013 -0.186 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.099 -5.443 -0.821 1.00 0.00 H new TER 889 LEU A 56 ATOM 890 P U B 517 -0.235 -1.233 -27.153 1.00 0.00 P ATOM 891 OP1 U B 517 0.789 -0.996 -26.111 1.00 0.00 O ATOM 892 OP2 U B 517 -1.087 -2.435 -27.012 1.00 0.00 O ATOM 893 O5' U B 517 -1.192 0.049 -27.206 1.00 0.00 O ATOM 894 C5' U B 517 -0.965 1.068 -28.176 1.00 0.00 C ATOM 895 C4' U B 517 -2.049 1.034 -29.229 1.00 0.00 C ATOM 896 O4' U B 517 -2.389 -0.358 -29.362 1.00 0.00 O ATOM 897 C3' U B 517 -3.422 1.487 -28.735 1.00 0.00 C ATOM 898 O3' U B 517 -3.565 2.888 -28.954 1.00 0.00 O ATOM 899 C2' U B 517 -4.414 0.697 -29.544 1.00 0.00 C ATOM 900 O2' U B 517 -4.413 1.373 -30.781 1.00 0.00 O ATOM 901 C1' U B 517 -3.750 -0.677 -29.545 1.00 0.00 C ATOM 902 N1 U B 517 -4.239 -1.570 -28.474 1.00 0.00 N ATOM 903 C2 U B 517 -5.027 -2.607 -28.866 1.00 0.00 C ATOM 904 O2 U B 517 -5.335 -2.823 -30.028 1.00 0.00 O ATOM 905 N3 U B 517 -5.484 -3.440 -27.869 1.00 0.00 N ATOM 906 C4 U B 517 -5.185 -3.270 -26.542 1.00 0.00 C ATOM 907 O4 U B 517 -5.649 -4.076 -25.737 1.00 0.00 O ATOM 908 C5 U B 517 -4.358 -2.171 -26.187 1.00 0.00 C ATOM 909 C6 U B 517 -3.926 -1.377 -27.168 1.00 0.00 C ATOM 0 H5' U B 517 0.010 0.926 -28.642 1.00 0.00 H new ATOM 0 H5'' U B 517 -0.948 2.044 -27.692 1.00 0.00 H new ATOM 0 H4' U B 517 -1.671 1.620 -30.067 1.00 0.00 H new ATOM 0 H3' U B 517 -3.568 1.317 -27.668 1.00 0.00 H new ATOM 0 H2' U B 517 -5.451 0.598 -29.222 1.00 0.00 H new ATOM 0 HO2' U B 517 -3.994 2.252 -30.673 1.00 0.00 H new ATOM 0 H1' U B 517 -3.963 -1.234 -30.457 1.00 0.00 H new ATOM 0 H3 U B 517 -6.078 -4.227 -28.132 1.00 0.00 H new ATOM 0 H5 U B 517 -4.088 -1.985 -25.158 1.00 0.00 H new ATOM 0 H6 U B 517 -3.296 -0.539 -26.910 1.00 0.00 H new ATOM 920 P U B 518 -2.995 3.928 -27.879 1.00 0.00 P ATOM 921 OP1 U B 518 -2.037 4.846 -28.535 1.00 0.00 O ATOM 922 OP2 U B 518 -2.529 3.199 -26.679 1.00 0.00 O ATOM 923 O5' U B 518 -4.292 4.773 -27.473 1.00 0.00 O ATOM 924 C5' U B 518 -5.008 5.501 -28.468 1.00 0.00 C ATOM 925 C4' U B 518 -6.496 5.293 -28.293 1.00 0.00 C ATOM 926 O4' U B 518 -6.682 3.912 -28.729 1.00 0.00 O ATOM 927 C3' U B 518 -6.916 4.912 -26.875 1.00 0.00 C ATOM 928 O3' U B 518 -7.097 6.095 -26.101 1.00 0.00 O ATOM 929 C2' U B 518 -8.205 4.153 -27.034 1.00 0.00 C ATOM 930 O2' U B 518 -9.176 5.172 -26.951 1.00 0.00 O ATOM 931 C1' U B 518 -8.008 3.547 -28.421 1.00 0.00 C ATOM 932 N1 U B 518 -8.179 2.079 -28.451 1.00 0.00 N ATOM 933 C2 U B 518 -9.255 1.612 -29.141 1.00 0.00 C ATOM 934 O2 U B 518 -10.057 2.331 -29.715 1.00 0.00 O ATOM 935 N3 U B 518 -9.416 0.244 -29.171 1.00 0.00 N ATOM 936 C4 U B 518 -8.562 -0.634 -28.552 1.00 0.00 C ATOM 937 O4 U B 518 -8.804 -1.837 -28.645 1.00 0.00 O ATOM 938 C5 U B 518 -7.456 -0.093 -27.845 1.00 0.00 C ATOM 939 C6 U B 518 -7.319 1.234 -27.829 1.00 0.00 C ATOM 0 H5' U B 518 -4.701 5.173 -29.461 1.00 0.00 H new ATOM 0 H5'' U B 518 -4.770 6.562 -28.395 1.00 0.00 H new ATOM 0 H4' U B 518 -6.979 6.172 -28.720 1.00 0.00 H new ATOM 0 H3' U B 518 -6.171 4.307 -26.358 1.00 0.00 H new ATOM 0 H2' U B 518 -8.486 3.369 -26.331 1.00 0.00 H new ATOM 0 HO2' U B 518 -9.417 5.318 -26.013 1.00 0.00 H new ATOM 0 H1' U B 518 -8.750 3.906 -29.135 1.00 0.00 H new ATOM 0 H3 U B 518 -10.213 -0.137 -29.681 1.00 0.00 H new ATOM 0 H5 U B 518 -6.750 -0.734 -27.338 1.00 0.00 H new ATOM 0 H6 U B 518 -6.481 1.657 -27.294 1.00 0.00 H new ATOM 950 P U B 519 -5.990 6.526 -25.028 1.00 0.00 P ATOM 951 OP1 U B 519 -5.653 7.956 -25.208 1.00 0.00 O ATOM 952 OP2 U B 519 -4.875 5.554 -25.046 1.00 0.00 O ATOM 953 O5' U B 519 -6.760 6.372 -23.635 1.00 0.00 O ATOM 954 C5' U B 519 -7.870 7.215 -23.336 1.00 0.00 C ATOM 955 C4' U B 519 -8.429 6.875 -21.971 1.00 0.00 C ATOM 956 O4' U B 519 -8.276 5.442 -21.738 1.00 0.00 O ATOM 957 C3' U B 519 -7.542 7.302 -20.804 1.00 0.00 C ATOM 958 O3' U B 519 -7.823 8.659 -20.468 1.00 0.00 O ATOM 959 C2' U B 519 -7.895 6.370 -19.678 1.00 0.00 C ATOM 960 O2' U B 519 -9.130 6.879 -19.229 1.00 0.00 O ATOM 961 C1' U B 519 -7.966 5.039 -20.422 1.00 0.00 C ATOM 962 N1 U B 519 -6.704 4.273 -20.382 1.00 0.00 N ATOM 963 C2 U B 519 -6.361 3.739 -19.177 1.00 0.00 C ATOM 964 O2 U B 519 -7.032 3.864 -18.166 1.00 0.00 O ATOM 965 N3 U B 519 -5.184 3.024 -19.137 1.00 0.00 N ATOM 966 C4 U B 519 -4.372 2.835 -20.228 1.00 0.00 C ATOM 967 O4 U B 519 -3.344 2.178 -20.075 1.00 0.00 O ATOM 968 C5 U B 519 -4.778 3.413 -21.460 1.00 0.00 C ATOM 969 C6 U B 519 -5.921 4.103 -21.477 1.00 0.00 C ATOM 0 H5' U B 519 -8.643 7.094 -24.095 1.00 0.00 H new ATOM 0 H5'' U B 519 -7.560 8.260 -23.361 1.00 0.00 H new ATOM 0 H4' U B 519 -9.422 7.324 -21.992 1.00 0.00 H new ATOM 0 H3' U B 519 -6.478 7.247 -21.035 1.00 0.00 H new ATOM 0 H2' U B 519 -7.244 6.267 -18.810 1.00 0.00 H new ATOM 0 HO2' U B 519 -9.135 7.855 -19.323 1.00 0.00 H new ATOM 0 H1' U B 519 -8.692 4.359 -19.976 1.00 0.00 H new ATOM 0 H3 U B 519 -4.900 2.612 -18.248 1.00 0.00 H new ATOM 0 H5 U B 519 -4.182 3.298 -22.353 1.00 0.00 H new ATOM 0 H6 U B 519 -6.238 4.548 -22.409 1.00 0.00 H new ATOM 980 P U B 520 -6.787 9.493 -19.578 1.00 0.00 P ATOM 981 OP1 U B 520 -5.464 8.832 -19.605 1.00 0.00 O ATOM 982 OP2 U B 520 -7.382 9.777 -18.254 1.00 0.00 O ATOM 983 O5' U B 520 -6.664 10.876 -20.372 1.00 0.00 O ATOM 984 C5' U B 520 -7.673 11.255 -21.306 1.00 0.00 C ATOM 985 C4' U B 520 -7.499 12.703 -21.701 1.00 0.00 C ATOM 986 O4' U B 520 -7.559 12.747 -23.139 1.00 0.00 O ATOM 987 C3' U B 520 -8.696 13.593 -21.379 1.00 0.00 C ATOM 988 O3' U B 520 -8.484 14.238 -20.125 1.00 0.00 O ATOM 989 C2' U B 520 -8.767 14.586 -22.505 1.00 0.00 C ATOM 990 O2' U B 520 -7.765 15.517 -22.162 1.00 0.00 O ATOM 991 C1' U B 520 -8.447 13.689 -23.697 1.00 0.00 C ATOM 992 N1 U B 520 -9.637 13.025 -24.272 1.00 0.00 N ATOM 993 C2 U B 520 -10.094 13.524 -25.452 1.00 0.00 C ATOM 994 O2 U B 520 -9.578 14.466 -26.035 1.00 0.00 O ATOM 995 N3 U B 520 -11.202 12.908 -25.990 1.00 0.00 N ATOM 996 C4 U B 520 -11.840 11.846 -25.400 1.00 0.00 C ATOM 997 O4 U B 520 -12.823 11.374 -25.971 1.00 0.00 O ATOM 998 C5 U B 520 -11.322 11.365 -24.169 1.00 0.00 C ATOM 999 C6 U B 520 -10.247 11.977 -23.666 1.00 0.00 C ATOM 0 H5' U B 520 -8.660 11.106 -20.867 1.00 0.00 H new ATOM 0 H5'' U B 520 -7.618 10.620 -22.190 1.00 0.00 H new ATOM 0 H4' U B 520 -6.593 13.035 -21.194 1.00 0.00 H new ATOM 0 H3' U B 520 -9.629 13.035 -21.294 1.00 0.00 H new ATOM 0 H2' U B 520 -9.683 15.143 -22.705 1.00 0.00 H new ATOM 0 HO2' U B 520 -7.666 15.546 -21.188 1.00 0.00 H new ATOM 0 H1' U B 520 -8.038 14.252 -24.536 1.00 0.00 H new ATOM 0 H3 U B 520 -11.568 13.260 -26.875 1.00 0.00 H new ATOM 0 H5 U B 520 -11.782 10.533 -23.657 1.00 0.00 H new ATOM 0 H6 U B 520 -9.844 11.619 -22.730 1.00 0.00 H new ATOM 1010 P G B 521 -8.976 13.539 -18.772 1.00 0.00 P ATOM 1011 OP1 G B 521 -8.816 14.478 -17.639 1.00 0.00 O ATOM 1012 OP2 G B 521 -8.350 12.204 -18.647 1.00 0.00 O ATOM 1013 O5' G B 521 -10.542 13.329 -19.025 1.00 0.00 O ATOM 1014 C5' G B 521 -11.472 14.322 -18.597 1.00 0.00 C ATOM 1015 C4' G B 521 -12.706 13.665 -18.021 1.00 0.00 C ATOM 1016 O4' G B 521 -13.080 12.539 -18.872 1.00 0.00 O ATOM 1017 C3' G B 521 -12.434 12.746 -16.834 1.00 0.00 C ATOM 1018 O3' G B 521 -12.305 13.528 -15.649 1.00 0.00 O ATOM 1019 C2' G B 521 -13.623 11.828 -16.762 1.00 0.00 C ATOM 1020 O2' G B 521 -14.604 12.638 -16.152 1.00 0.00 O ATOM 1021 C1' G B 521 -13.845 11.535 -18.243 1.00 0.00 C ATOM 1022 N9 G B 521 -13.394 10.187 -18.651 1.00 0.00 N ATOM 1023 C8 G B 521 -12.201 9.610 -18.396 1.00 0.00 C ATOM 1024 N7 G B 521 -12.106 8.385 -18.901 1.00 0.00 N ATOM 1025 C5 G B 521 -13.316 8.185 -19.509 1.00 0.00 C ATOM 1026 C6 G B 521 -13.833 7.082 -20.222 1.00 0.00 C ATOM 1027 O6 G B 521 -13.236 6.029 -20.437 1.00 0.00 O ATOM 1028 N1 G B 521 -15.097 7.193 -20.715 1.00 0.00 N ATOM 1029 C2 G B 521 -15.777 8.340 -20.496 1.00 0.00 C ATOM 1030 N2 G B 521 -16.992 8.294 -21.038 1.00 0.00 N ATOM 1031 N3 G B 521 -15.387 9.446 -19.835 1.00 0.00 N ATOM 1032 C4 G B 521 -14.119 9.272 -19.369 1.00 0.00 C ATOM 0 H5' G B 521 -11.748 14.959 -19.437 1.00 0.00 H new ATOM 0 H5'' G B 521 -11.010 14.965 -17.848 1.00 0.00 H new ATOM 0 H4' G B 521 -13.372 14.512 -17.854 1.00 0.00 H new ATOM 0 H3' G B 521 -11.510 12.178 -16.940 1.00 0.00 H new ATOM 0 H2' G B 521 -13.576 10.890 -16.208 1.00 0.00 H new ATOM 0 HO2' G B 521 -14.201 13.487 -15.874 1.00 0.00 H new ATOM 0 H1' G B 521 -14.902 11.543 -18.508 1.00 0.00 H new ATOM 0 H8 G B 521 -11.409 10.092 -17.842 1.00 0.00 H new ATOM 0 H1 G B 521 -15.521 6.427 -21.238 1.00 0.00 H new ATOM 0 H21 G B 521 -17.620 9.093 -20.951 1.00 0.00 H new ATOM 0 H22 G B 521 -17.295 7.459 -21.540 1.00 0.00 H new ATOM 1044 P C B 522 -12.105 12.809 -14.233 1.00 0.00 P ATOM 1045 OP1 C B 522 -10.675 12.479 -14.040 1.00 0.00 O ATOM 1046 OP2 C B 522 -13.085 11.709 -14.090 1.00 0.00 O ATOM 1047 O5' C B 522 -12.494 13.956 -13.188 1.00 0.00 O ATOM 1048 C5' C B 522 -12.872 15.250 -13.657 1.00 0.00 C ATOM 1049 C4' C B 522 -13.844 15.888 -12.690 1.00 0.00 C ATOM 1050 O4' C B 522 -15.055 15.135 -12.881 1.00 0.00 O ATOM 1051 C3' C B 522 -13.648 15.475 -11.234 1.00 0.00 C ATOM 1052 O3' C B 522 -12.763 16.393 -10.596 1.00 0.00 O ATOM 1053 C2' C B 522 -15.021 15.516 -10.623 1.00 0.00 C ATOM 1054 O2' C B 522 -15.226 16.895 -10.413 1.00 0.00 O ATOM 1055 C1' C B 522 -15.849 14.891 -11.741 1.00 0.00 C ATOM 1056 N1 C B 522 -16.091 13.445 -11.558 1.00 0.00 N ATOM 1057 C2 C B 522 -17.212 12.891 -12.176 1.00 0.00 C ATOM 1058 O2 C B 522 -17.945 13.630 -12.842 1.00 0.00 O ATOM 1059 N3 C B 522 -17.453 11.577 -12.024 1.00 0.00 N ATOM 1060 C4 C B 522 -16.659 10.803 -11.309 1.00 0.00 C ATOM 1061 N4 C B 522 -16.915 9.508 -11.171 1.00 0.00 N ATOM 1062 C5 C B 522 -15.491 11.351 -10.659 1.00 0.00 C ATOM 1063 C6 C B 522 -15.265 12.663 -10.820 1.00 0.00 C ATOM 0 H5' C B 522 -13.328 15.169 -14.644 1.00 0.00 H new ATOM 0 H5'' C B 522 -11.988 15.879 -13.765 1.00 0.00 H new ATOM 0 H4' C B 522 -13.782 16.964 -12.851 1.00 0.00 H new ATOM 0 H3' C B 522 -13.205 14.485 -11.129 1.00 0.00 H new ATOM 0 H2' C B 522 -15.234 15.004 -9.685 1.00 0.00 H new ATOM 0 HO2' C B 522 -14.370 17.326 -10.209 1.00 0.00 H new ATOM 0 H1' C B 522 -16.853 15.313 -11.793 1.00 0.00 H new ATOM 0 H41 C B 522 -16.292 8.921 -10.615 1.00 0.00 H new ATOM 0 H42 C B 522 -17.734 9.099 -11.621 1.00 0.00 H new ATOM 0 H5 C B 522 -14.830 10.732 -10.070 1.00 0.00 H new ATOM 0 H6 C B 522 -14.401 13.109 -10.349 1.00 0.00 H new ATOM 1075 P U B 523 -11.644 15.855 -9.588 1.00 0.00 P ATOM 1076 OP1 U B 523 -10.572 16.867 -9.446 1.00 0.00 O ATOM 1077 OP2 U B 523 -11.241 14.485 -9.974 1.00 0.00 O ATOM 1078 O5' U B 523 -12.427 15.766 -8.195 1.00 0.00 O ATOM 1079 C5' U B 523 -11.979 16.528 -7.075 1.00 0.00 C ATOM 1080 C4' U B 523 -12.973 16.420 -5.942 1.00 0.00 C ATOM 1081 O4' U B 523 -14.290 16.135 -6.476 1.00 0.00 O ATOM 1082 C3' U B 523 -12.953 15.080 -5.211 1.00 0.00 C ATOM 1083 O3' U B 523 -11.843 15.053 -4.300 1.00 0.00 O ATOM 1084 C2' U B 523 -14.266 15.004 -4.483 1.00 0.00 C ATOM 1085 O2' U B 523 -14.019 15.756 -3.317 1.00 0.00 O ATOM 1086 C1' U B 523 -15.193 15.661 -5.502 1.00 0.00 C ATOM 1087 N1 U B 523 -16.175 14.728 -6.094 1.00 0.00 N ATOM 1088 C2 U B 523 -17.480 14.941 -5.769 1.00 0.00 C ATOM 1089 O2 U B 523 -17.858 15.839 -5.034 1.00 0.00 O ATOM 1090 N3 U B 523 -18.396 14.073 -6.319 1.00 0.00 N ATOM 1091 C4 U B 523 -18.056 13.038 -7.153 1.00 0.00 C ATOM 1092 O4 U B 523 -18.960 12.325 -7.587 1.00 0.00 O ATOM 1093 C5 U B 523 -16.682 12.862 -7.460 1.00 0.00 C ATOM 1094 C6 U B 523 -15.810 13.714 -6.915 1.00 0.00 C ATOM 0 H5' U B 523 -11.855 17.572 -7.362 1.00 0.00 H new ATOM 0 H5'' U B 523 -11.003 16.169 -6.748 1.00 0.00 H new ATOM 0 H4' U B 523 -12.759 17.321 -5.367 1.00 0.00 H new ATOM 0 H3' U B 523 -12.834 14.230 -5.883 1.00 0.00 H new ATOM 0 H2' U B 523 -14.683 14.045 -4.176 1.00 0.00 H new ATOM 0 HO2' U B 523 -13.060 15.742 -3.116 1.00 0.00 H new ATOM 0 HO3' U B 523 -11.828 14.194 -3.828 1.00 0.00 H new ATOM 0 H1' U B 523 -15.815 16.434 -5.051 1.00 0.00 H new ATOM 0 H3 U B 523 -19.382 14.207 -6.094 1.00 0.00 H new ATOM 0 H5 U B 523 -16.353 12.066 -8.112 1.00 0.00 H new ATOM 0 H6 U B 523 -14.761 13.588 -7.140 1.00 0.00 H new TER 1105 U B 523 HETATM 1106 ZN ZN A 57 -14.071 -0.308 -23.042 1.00 0.00 ZN