USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 509 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 34 HIS HE2 : A 34 HIS NE2 : A 57 ZNZN :(H bumps) USER MOD 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=-0.00109 USER MOD Single : A 7 GLN : amide:sc= -0.733 K(o=-0.73,f=-0.18) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.0105 X(o=-0.01,f=0) USER MOD Single : A 12 GLN : amide:sc= -0.0117 X(o=-0.012,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.275 K(o=-0.27,f=-1.9!) USER MOD Single : A 25 GLN : amide:sc= -2.32! C(o=-2.3!,f=-2.6!) USER MOD Single : A 28 TYR OH : rot 30:sc=-0.00759 USER MOD Single : A 30 LYS NZ :NH3+ 178:sc= 0.00356 (180deg=0.00349) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -153:sc= -0.0814 (180deg=-1.19!) USER MOD Single : A 52 GLN : amide:sc= -0.079 K(o=-0.079,f=-3.5!) USER MOD Single : A 53 THR OG1 : rot 12:sc= 0.991 USER MOD Single : A 54 SER OG : rot 180:sc= -0.024 USER MOD Single : B 493 A O2' : rot -29:sc= 0.415 USER MOD Single : B 494 A O2' : rot -162:sc= -0.418 USER MOD Single : B 495 C O2' : rot -48:sc= 0.171 USER MOD Single : B 496 A O2' : rot -32:sc= 0.394 USER MOD Single : B 497 G O2' : rot -31:sc= -0.146! USER MOD Single : B 498 U O2' : rot -17:sc= 0.452 USER MOD Single : B 498 U O3' : rot 180:sc= 0.329 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 19.724 -67.806 -4.501 1.00 0.00 N ATOM 2 CA ALA A 1 20.901 -67.732 -5.348 1.00 0.00 C ATOM 3 C ALA A 1 20.928 -66.378 -6.060 1.00 0.00 C ATOM 4 O ALA A 1 21.855 -65.592 -5.874 1.00 0.00 O ATOM 5 CB ALA A 1 20.901 -68.907 -6.328 1.00 0.00 C ATOM 0 H1 ALA A 1 19.703 -68.726 -4.016 1.00 0.00 H new ATOM 0 H2 ALA A 1 19.756 -67.043 -3.795 1.00 0.00 H new ATOM 0 H3 ALA A 1 18.869 -67.703 -5.085 1.00 0.00 H new ATOM 0 HA ALA A 1 21.809 -67.808 -4.750 1.00 0.00 H new ATOM 0 HB1 ALA A 1 21.785 -68.851 -6.963 1.00 0.00 H new ATOM 0 HB2 ALA A 1 20.913 -69.844 -5.772 1.00 0.00 H new ATOM 0 HB3 ALA A 1 20.005 -68.864 -6.948 1.00 0.00 H new ATOM 11 N THR A 2 19.898 -66.148 -6.862 1.00 0.00 N ATOM 12 CA THR A 2 19.791 -64.902 -7.604 1.00 0.00 C ATOM 13 C THR A 2 21.027 -64.698 -8.483 1.00 0.00 C ATOM 14 O THR A 2 21.859 -63.837 -8.199 1.00 0.00 O ATOM 15 CB THR A 2 19.567 -63.771 -6.598 1.00 0.00 C ATOM 16 OG1 THR A 2 18.201 -63.911 -6.217 1.00 0.00 O ATOM 17 CG2 THR A 2 19.633 -62.388 -7.249 1.00 0.00 C ATOM 0 H THR A 2 19.131 -66.803 -7.014 1.00 0.00 H new ATOM 0 HA THR A 2 18.943 -64.920 -8.289 1.00 0.00 H new ATOM 0 HB THR A 2 20.313 -63.836 -5.806 1.00 0.00 H new ATOM 0 HG1 THR A 2 17.971 -63.217 -5.564 1.00 0.00 H new ATOM 0 HG21 THR A 2 19.468 -61.621 -6.492 1.00 0.00 H new ATOM 0 HG22 THR A 2 20.614 -62.245 -7.702 1.00 0.00 H new ATOM 0 HG23 THR A 2 18.864 -62.311 -8.018 1.00 0.00 H new ATOM 25 N VAL A 3 21.107 -65.503 -9.531 1.00 0.00 N ATOM 26 CA VAL A 3 22.226 -65.421 -10.454 1.00 0.00 C ATOM 27 C VAL A 3 21.754 -64.798 -11.769 1.00 0.00 C ATOM 28 O VAL A 3 21.942 -65.379 -12.838 1.00 0.00 O ATOM 29 CB VAL A 3 22.855 -66.804 -10.639 1.00 0.00 C ATOM 30 CG1 VAL A 3 21.819 -67.815 -11.133 1.00 0.00 C ATOM 31 CG2 VAL A 3 24.054 -66.739 -11.588 1.00 0.00 C ATOM 0 H VAL A 3 20.415 -66.216 -9.762 1.00 0.00 H new ATOM 0 HA VAL A 3 23.006 -64.775 -10.051 1.00 0.00 H new ATOM 0 HB VAL A 3 23.215 -67.141 -9.667 1.00 0.00 H new ATOM 0 HG11 VAL A 3 22.292 -68.789 -11.256 1.00 0.00 H new ATOM 0 HG12 VAL A 3 21.011 -67.893 -10.406 1.00 0.00 H new ATOM 0 HG13 VAL A 3 21.415 -67.484 -12.090 1.00 0.00 H new ATOM 0 HG21 VAL A 3 24.482 -67.735 -11.702 1.00 0.00 H new ATOM 0 HG22 VAL A 3 23.728 -66.370 -12.561 1.00 0.00 H new ATOM 0 HG23 VAL A 3 24.806 -66.065 -11.178 1.00 0.00 H new ATOM 41 N VAL A 4 21.149 -63.626 -11.649 1.00 0.00 N ATOM 42 CA VAL A 4 20.648 -62.918 -12.814 1.00 0.00 C ATOM 43 C VAL A 4 21.320 -61.547 -12.901 1.00 0.00 C ATOM 44 O VAL A 4 21.777 -61.010 -11.893 1.00 0.00 O ATOM 45 CB VAL A 4 19.121 -62.833 -12.758 1.00 0.00 C ATOM 46 CG1 VAL A 4 18.493 -64.229 -12.783 1.00 0.00 C ATOM 47 CG2 VAL A 4 18.660 -62.047 -11.529 1.00 0.00 C ATOM 0 H VAL A 4 20.994 -63.148 -10.761 1.00 0.00 H new ATOM 0 HA VAL A 4 20.897 -63.460 -13.726 1.00 0.00 H new ATOM 0 HB VAL A 4 18.783 -62.297 -13.645 1.00 0.00 H new ATOM 0 HG11 VAL A 4 17.407 -64.140 -12.742 1.00 0.00 H new ATOM 0 HG12 VAL A 4 18.781 -64.741 -13.701 1.00 0.00 H new ATOM 0 HG13 VAL A 4 18.843 -64.801 -11.924 1.00 0.00 H new ATOM 0 HG21 VAL A 4 17.571 -62.002 -11.514 1.00 0.00 H new ATOM 0 HG22 VAL A 4 19.015 -62.543 -10.626 1.00 0.00 H new ATOM 0 HG23 VAL A 4 19.065 -61.036 -11.571 1.00 0.00 H new ATOM 57 N SER A 5 21.359 -61.018 -14.115 1.00 0.00 N ATOM 58 CA SER A 5 21.968 -59.719 -14.347 1.00 0.00 C ATOM 59 C SER A 5 21.163 -58.943 -15.391 1.00 0.00 C ATOM 60 O SER A 5 20.370 -59.526 -16.128 1.00 0.00 O ATOM 61 CB SER A 5 23.422 -59.866 -14.799 1.00 0.00 C ATOM 62 OG SER A 5 24.101 -58.613 -14.826 1.00 0.00 O ATOM 0 H SER A 5 20.979 -61.465 -14.949 1.00 0.00 H new ATOM 0 HA SER A 5 21.962 -59.165 -13.408 1.00 0.00 H new ATOM 0 HB2 SER A 5 23.944 -60.547 -14.127 1.00 0.00 H new ATOM 0 HB3 SER A 5 23.450 -60.315 -15.792 1.00 0.00 H new ATOM 0 HG SER A 5 25.027 -58.749 -15.118 1.00 0.00 H new ATOM 68 N GLY A 6 21.394 -57.638 -15.419 1.00 0.00 N ATOM 69 CA GLY A 6 20.700 -56.776 -16.361 1.00 0.00 C ATOM 70 C GLY A 6 21.592 -55.612 -16.798 1.00 0.00 C ATOM 71 O GLY A 6 22.812 -55.673 -16.657 1.00 0.00 O ATOM 0 H GLY A 6 22.051 -57.157 -14.805 1.00 0.00 H new ATOM 0 HA2 GLY A 6 20.397 -57.354 -17.234 1.00 0.00 H new ATOM 0 HA3 GLY A 6 19.790 -56.389 -15.903 1.00 0.00 H new ATOM 75 N GLN A 7 20.948 -54.578 -17.320 1.00 0.00 N ATOM 76 CA GLN A 7 21.668 -53.403 -17.779 1.00 0.00 C ATOM 77 C GLN A 7 20.781 -52.160 -17.666 1.00 0.00 C ATOM 78 O GLN A 7 19.568 -52.240 -17.852 1.00 0.00 O ATOM 79 CB GLN A 7 22.168 -53.591 -19.213 1.00 0.00 C ATOM 80 CG GLN A 7 23.295 -52.608 -19.534 1.00 0.00 C ATOM 81 CD GLN A 7 24.625 -53.088 -18.948 1.00 0.00 C ATOM 82 OE1 GLN A 7 25.394 -53.790 -19.582 1.00 0.00 O ATOM 83 NE2 GLN A 7 24.849 -52.673 -17.705 1.00 0.00 N ATOM 0 H GLN A 7 19.936 -54.530 -17.435 1.00 0.00 H new ATOM 0 HA GLN A 7 22.540 -53.263 -17.141 1.00 0.00 H new ATOM 0 HB2 GLN A 7 22.523 -54.613 -19.347 1.00 0.00 H new ATOM 0 HB3 GLN A 7 21.344 -53.445 -19.911 1.00 0.00 H new ATOM 0 HG2 GLN A 7 23.389 -52.497 -20.614 1.00 0.00 H new ATOM 0 HG3 GLN A 7 23.050 -51.625 -19.132 1.00 0.00 H new ATOM 0 HE21 GLN A 7 24.162 -52.086 -17.232 1.00 0.00 H new ATOM 0 HE22 GLN A 7 25.708 -52.941 -17.225 1.00 0.00 H new ATOM 92 N LYS A 8 21.422 -51.042 -17.361 1.00 0.00 N ATOM 93 CA LYS A 8 20.707 -49.785 -17.222 1.00 0.00 C ATOM 94 C LYS A 8 21.320 -48.747 -18.165 1.00 0.00 C ATOM 95 O LYS A 8 22.511 -48.454 -18.082 1.00 0.00 O ATOM 96 CB LYS A 8 20.680 -49.344 -15.756 1.00 0.00 C ATOM 97 CG LYS A 8 19.413 -49.841 -15.058 1.00 0.00 C ATOM 98 CD LYS A 8 19.723 -51.022 -14.136 1.00 0.00 C ATOM 99 CE LYS A 8 18.457 -51.827 -13.833 1.00 0.00 C ATOM 100 NZ LYS A 8 18.337 -52.074 -12.378 1.00 0.00 N ATOM 0 H LYS A 8 22.428 -50.980 -17.206 1.00 0.00 H new ATOM 0 HA LYS A 8 19.664 -49.905 -17.515 1.00 0.00 H new ATOM 0 HB2 LYS A 8 21.559 -49.730 -15.240 1.00 0.00 H new ATOM 0 HB3 LYS A 8 20.729 -48.257 -15.699 1.00 0.00 H new ATOM 0 HG2 LYS A 8 18.970 -49.030 -14.480 1.00 0.00 H new ATOM 0 HG3 LYS A 8 18.676 -50.140 -15.803 1.00 0.00 H new ATOM 0 HD2 LYS A 8 20.466 -51.668 -14.604 1.00 0.00 H new ATOM 0 HD3 LYS A 8 20.158 -50.657 -13.205 1.00 0.00 H new ATOM 0 HE2 LYS A 8 17.581 -51.286 -14.190 1.00 0.00 H new ATOM 0 HE3 LYS A 8 18.485 -52.776 -14.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 17.473 -52.621 -12.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 19.165 -52.609 -12.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 18.288 -51.165 -11.874 1.00 0.00 H new ATOM 114 N GLN A 9 20.476 -48.219 -19.040 1.00 0.00 N ATOM 115 CA GLN A 9 20.919 -47.220 -19.998 1.00 0.00 C ATOM 116 C GLN A 9 21.077 -45.861 -19.312 1.00 0.00 C ATOM 117 O GLN A 9 20.330 -45.537 -18.390 1.00 0.00 O ATOM 118 CB GLN A 9 19.954 -47.129 -21.181 1.00 0.00 C ATOM 119 CG GLN A 9 20.713 -47.134 -22.510 1.00 0.00 C ATOM 120 CD GLN A 9 20.034 -48.055 -23.527 1.00 0.00 C ATOM 121 OE1 GLN A 9 20.051 -49.269 -23.411 1.00 0.00 O ATOM 122 NE2 GLN A 9 19.437 -47.411 -24.526 1.00 0.00 N ATOM 0 H GLN A 9 19.488 -48.464 -19.105 1.00 0.00 H new ATOM 0 HA GLN A 9 21.891 -47.523 -20.388 1.00 0.00 H new ATOM 0 HB2 GLN A 9 19.258 -47.967 -21.152 1.00 0.00 H new ATOM 0 HB3 GLN A 9 19.360 -46.219 -21.101 1.00 0.00 H new ATOM 0 HG2 GLN A 9 20.762 -46.121 -22.908 1.00 0.00 H new ATOM 0 HG3 GLN A 9 21.739 -47.462 -22.345 1.00 0.00 H new ATOM 0 HE21 GLN A 9 19.461 -46.392 -24.562 1.00 0.00 H new ATOM 0 HE22 GLN A 9 18.955 -47.936 -25.256 1.00 0.00 H new ATOM 131 N ASP A 10 22.053 -45.103 -19.791 1.00 0.00 N ATOM 132 CA ASP A 10 22.318 -43.787 -19.236 1.00 0.00 C ATOM 133 C ASP A 10 21.330 -42.780 -19.829 1.00 0.00 C ATOM 134 O ASP A 10 20.839 -42.968 -20.941 1.00 0.00 O ATOM 135 CB ASP A 10 23.734 -43.319 -19.581 1.00 0.00 C ATOM 136 CG ASP A 10 24.551 -42.806 -18.393 1.00 0.00 C ATOM 137 OD1 ASP A 10 24.385 -43.382 -17.297 1.00 0.00 O ATOM 138 OD2 ASP A 10 25.324 -41.848 -18.609 1.00 0.00 O ATOM 0 H ASP A 10 22.669 -45.375 -20.557 1.00 0.00 H new ATOM 0 HA ASP A 10 22.212 -43.850 -18.153 1.00 0.00 H new ATOM 0 HB2 ASP A 10 24.272 -44.147 -20.043 1.00 0.00 H new ATOM 0 HB3 ASP A 10 23.667 -42.527 -20.327 1.00 0.00 H new ATOM 143 N ARG A 11 21.069 -41.733 -19.061 1.00 0.00 N ATOM 144 CA ARG A 11 20.148 -40.696 -19.496 1.00 0.00 C ATOM 145 C ARG A 11 20.912 -39.410 -19.819 1.00 0.00 C ATOM 146 O ARG A 11 21.608 -38.865 -18.965 1.00 0.00 O ATOM 147 CB ARG A 11 19.102 -40.401 -18.419 1.00 0.00 C ATOM 148 CG ARG A 11 17.957 -41.414 -18.477 1.00 0.00 C ATOM 149 CD ARG A 11 17.297 -41.575 -17.105 1.00 0.00 C ATOM 150 NE ARG A 11 15.916 -42.080 -17.265 1.00 0.00 N ATOM 151 CZ ARG A 11 14.965 -41.979 -16.326 1.00 0.00 C ATOM 152 NH1 ARG A 11 15.242 -41.389 -15.154 1.00 0.00 N ATOM 153 NH2 ARG A 11 13.738 -42.466 -16.557 1.00 0.00 N ATOM 0 H ARG A 11 21.479 -41.580 -18.140 1.00 0.00 H new ATOM 0 HA ARG A 11 19.641 -41.057 -20.391 1.00 0.00 H new ATOM 0 HB2 ARG A 11 19.569 -40.431 -17.435 1.00 0.00 H new ATOM 0 HB3 ARG A 11 18.709 -39.394 -18.555 1.00 0.00 H new ATOM 0 HG2 ARG A 11 17.215 -41.088 -19.206 1.00 0.00 H new ATOM 0 HG3 ARG A 11 18.336 -42.378 -18.818 1.00 0.00 H new ATOM 0 HD2 ARG A 11 17.877 -42.265 -16.492 1.00 0.00 H new ATOM 0 HD3 ARG A 11 17.285 -40.618 -16.583 1.00 0.00 H new ATOM 0 HE ARG A 11 15.672 -42.534 -18.145 1.00 0.00 H new ATOM 0 HH11 ARG A 11 16.176 -41.018 -14.978 1.00 0.00 H new ATOM 0 HH12 ARG A 11 14.519 -41.312 -14.439 1.00 0.00 H new ATOM 0 HH21 ARG A 11 13.527 -42.914 -17.448 1.00 0.00 H new ATOM 0 HH22 ARG A 11 13.015 -42.388 -15.841 1.00 0.00 H new ATOM 167 N GLN A 12 20.756 -38.964 -21.057 1.00 0.00 N ATOM 168 CA GLN A 12 21.422 -37.753 -21.505 1.00 0.00 C ATOM 169 C GLN A 12 20.638 -36.518 -21.057 1.00 0.00 C ATOM 170 O GLN A 12 19.447 -36.608 -20.761 1.00 0.00 O ATOM 171 CB GLN A 12 21.611 -37.760 -23.024 1.00 0.00 C ATOM 172 CG GLN A 12 20.266 -37.649 -23.744 1.00 0.00 C ATOM 173 CD GLN A 12 20.063 -38.820 -24.708 1.00 0.00 C ATOM 174 OE1 GLN A 12 20.538 -38.822 -25.831 1.00 0.00 O ATOM 175 NE2 GLN A 12 19.330 -39.811 -24.209 1.00 0.00 N ATOM 0 H GLN A 12 20.178 -39.420 -21.763 1.00 0.00 H new ATOM 0 HA GLN A 12 22.411 -37.717 -21.048 1.00 0.00 H new ATOM 0 HB2 GLN A 12 22.254 -36.931 -23.318 1.00 0.00 H new ATOM 0 HB3 GLN A 12 22.115 -38.678 -23.327 1.00 0.00 H new ATOM 0 HG2 GLN A 12 19.458 -37.631 -23.013 1.00 0.00 H new ATOM 0 HG3 GLN A 12 20.220 -36.709 -24.293 1.00 0.00 H new ATOM 0 HE21 GLN A 12 18.962 -39.745 -23.260 1.00 0.00 H new ATOM 0 HE22 GLN A 12 19.136 -40.637 -24.775 1.00 0.00 H new ATOM 184 N GLY A 13 21.337 -35.393 -21.018 1.00 0.00 N ATOM 185 CA GLY A 13 20.721 -34.142 -20.611 1.00 0.00 C ATOM 186 C GLY A 13 20.712 -33.134 -21.762 1.00 0.00 C ATOM 187 O GLY A 13 21.592 -33.162 -22.621 1.00 0.00 O ATOM 0 H GLY A 13 22.325 -35.322 -21.262 1.00 0.00 H new ATOM 0 HA2 GLY A 13 19.700 -34.327 -20.277 1.00 0.00 H new ATOM 0 HA3 GLY A 13 21.263 -33.725 -19.762 1.00 0.00 H new ATOM 191 N GLY A 14 19.710 -32.268 -21.740 1.00 0.00 N ATOM 192 CA GLY A 14 19.577 -31.253 -22.771 1.00 0.00 C ATOM 193 C GLY A 14 18.462 -30.263 -22.425 1.00 0.00 C ATOM 194 O GLY A 14 17.288 -30.630 -22.398 1.00 0.00 O ATOM 0 H GLY A 14 18.983 -32.248 -21.025 1.00 0.00 H new ATOM 0 HA2 GLY A 14 20.520 -30.719 -22.884 1.00 0.00 H new ATOM 0 HA3 GLY A 14 19.363 -31.728 -23.728 1.00 0.00 H new ATOM 198 N GLU A 15 18.869 -29.028 -22.169 1.00 0.00 N ATOM 199 CA GLU A 15 17.919 -27.985 -21.826 1.00 0.00 C ATOM 200 C GLU A 15 18.600 -26.614 -21.861 1.00 0.00 C ATOM 201 O GLU A 15 18.190 -25.733 -22.613 1.00 0.00 O ATOM 202 CB GLU A 15 17.286 -28.247 -20.458 1.00 0.00 C ATOM 203 CG GLU A 15 15.833 -28.704 -20.604 1.00 0.00 C ATOM 204 CD GLU A 15 14.866 -27.634 -20.093 1.00 0.00 C ATOM 205 OE1 GLU A 15 14.545 -27.691 -18.886 1.00 0.00 O ATOM 206 OE2 GLU A 15 14.471 -26.783 -20.919 1.00 0.00 O ATOM 0 H GLU A 15 19.843 -28.727 -22.192 1.00 0.00 H new ATOM 0 HA GLU A 15 17.119 -27.992 -22.567 1.00 0.00 H new ATOM 0 HB2 GLU A 15 17.859 -29.008 -19.928 1.00 0.00 H new ATOM 0 HB3 GLU A 15 17.327 -27.340 -19.855 1.00 0.00 H new ATOM 0 HG2 GLU A 15 15.620 -28.921 -21.651 1.00 0.00 H new ATOM 0 HG3 GLU A 15 15.682 -29.630 -20.049 1.00 0.00 H new ATOM 213 N ARG A 16 19.629 -26.480 -21.036 1.00 0.00 N ATOM 214 CA ARG A 16 20.371 -25.232 -20.964 1.00 0.00 C ATOM 215 C ARG A 16 21.871 -25.513 -20.863 1.00 0.00 C ATOM 216 O ARG A 16 22.285 -26.665 -20.744 1.00 0.00 O ATOM 217 CB ARG A 16 19.932 -24.401 -19.757 1.00 0.00 C ATOM 218 CG ARG A 16 19.970 -22.905 -20.079 1.00 0.00 C ATOM 219 CD ARG A 16 20.972 -22.176 -19.181 1.00 0.00 C ATOM 220 NE ARG A 16 20.254 -21.420 -18.131 1.00 0.00 N ATOM 221 CZ ARG A 16 20.778 -20.389 -17.456 1.00 0.00 C ATOM 222 NH1 ARG A 16 22.028 -19.983 -17.717 1.00 0.00 N ATOM 223 NH2 ARG A 16 20.052 -19.761 -16.520 1.00 0.00 N ATOM 0 H ARG A 16 19.966 -27.214 -20.413 1.00 0.00 H new ATOM 0 HA ARG A 16 20.164 -24.668 -21.874 1.00 0.00 H new ATOM 0 HB2 ARG A 16 18.923 -24.688 -19.461 1.00 0.00 H new ATOM 0 HB3 ARG A 16 20.584 -24.611 -18.909 1.00 0.00 H new ATOM 0 HG2 ARG A 16 20.242 -22.761 -21.125 1.00 0.00 H new ATOM 0 HG3 ARG A 16 18.977 -22.475 -19.946 1.00 0.00 H new ATOM 0 HD2 ARG A 16 21.652 -22.894 -18.723 1.00 0.00 H new ATOM 0 HD3 ARG A 16 21.581 -21.497 -19.778 1.00 0.00 H new ATOM 0 HE ARG A 16 19.300 -21.702 -17.907 1.00 0.00 H new ATOM 0 HH11 ARG A 16 22.581 -20.459 -18.430 1.00 0.00 H new ATOM 0 HH12 ARG A 16 22.427 -19.198 -17.203 1.00 0.00 H new ATOM 0 HH21 ARG A 16 19.100 -20.069 -16.322 1.00 0.00 H new ATOM 0 HH22 ARG A 16 20.452 -18.976 -16.006 1.00 0.00 H new ATOM 237 N ARG A 17 22.646 -24.440 -20.916 1.00 0.00 N ATOM 238 CA ARG A 17 24.093 -24.556 -20.832 1.00 0.00 C ATOM 239 C ARG A 17 24.491 -25.332 -19.575 1.00 0.00 C ATOM 240 O ARG A 17 23.630 -25.767 -18.811 1.00 0.00 O ATOM 241 CB ARG A 17 24.755 -23.177 -20.802 1.00 0.00 C ATOM 242 CG ARG A 17 25.273 -22.788 -22.189 1.00 0.00 C ATOM 243 CD ARG A 17 24.580 -21.523 -22.698 1.00 0.00 C ATOM 244 NE ARG A 17 25.351 -20.326 -22.294 1.00 0.00 N ATOM 245 CZ ARG A 17 24.886 -19.071 -22.371 1.00 0.00 C ATOM 246 NH1 ARG A 17 23.650 -18.843 -22.835 1.00 0.00 N ATOM 247 NH2 ARG A 17 25.656 -18.047 -21.982 1.00 0.00 N ATOM 0 H ARG A 17 22.300 -23.486 -21.016 1.00 0.00 H new ATOM 0 HA ARG A 17 24.435 -25.092 -21.718 1.00 0.00 H new ATOM 0 HB2 ARG A 17 24.038 -22.433 -20.456 1.00 0.00 H new ATOM 0 HB3 ARG A 17 25.580 -23.181 -20.089 1.00 0.00 H new ATOM 0 HG2 ARG A 17 26.350 -22.625 -22.146 1.00 0.00 H new ATOM 0 HG3 ARG A 17 25.102 -23.607 -22.888 1.00 0.00 H new ATOM 0 HD2 ARG A 17 24.491 -21.559 -23.784 1.00 0.00 H new ATOM 0 HD3 ARG A 17 23.568 -21.466 -22.297 1.00 0.00 H new ATOM 0 HE ARG A 17 26.295 -20.465 -21.934 1.00 0.00 H new ATOM 0 HH11 ARG A 17 23.064 -19.624 -23.129 1.00 0.00 H new ATOM 0 HH12 ARG A 17 23.295 -17.888 -22.894 1.00 0.00 H new ATOM 0 HH21 ARG A 17 26.596 -18.222 -21.627 1.00 0.00 H new ATOM 0 HH22 ARG A 17 25.302 -17.092 -22.041 1.00 0.00 H new ATOM 261 N ARG A 18 25.795 -25.483 -19.400 1.00 0.00 N ATOM 262 CA ARG A 18 26.318 -26.200 -18.249 1.00 0.00 C ATOM 263 C ARG A 18 27.579 -25.512 -17.723 1.00 0.00 C ATOM 264 O ARG A 18 28.598 -26.163 -17.499 1.00 0.00 O ATOM 265 CB ARG A 18 26.649 -27.650 -18.607 1.00 0.00 C ATOM 266 CG ARG A 18 27.404 -27.729 -19.936 1.00 0.00 C ATOM 267 CD ARG A 18 27.309 -29.133 -20.538 1.00 0.00 C ATOM 268 NE ARG A 18 26.506 -29.096 -21.781 1.00 0.00 N ATOM 269 CZ ARG A 18 25.891 -30.163 -22.308 1.00 0.00 C ATOM 270 NH1 ARG A 18 25.982 -31.356 -21.705 1.00 0.00 N ATOM 271 NH2 ARG A 18 25.185 -30.037 -23.440 1.00 0.00 N ATOM 0 H ARG A 18 26.506 -25.121 -20.036 1.00 0.00 H new ATOM 0 HA ARG A 18 25.548 -26.195 -17.478 1.00 0.00 H new ATOM 0 HB2 ARG A 18 27.252 -28.095 -17.815 1.00 0.00 H new ATOM 0 HB3 ARG A 18 25.729 -28.231 -18.672 1.00 0.00 H new ATOM 0 HG2 ARG A 18 26.993 -27.001 -20.636 1.00 0.00 H new ATOM 0 HG3 ARG A 18 28.450 -27.466 -19.780 1.00 0.00 H new ATOM 0 HD2 ARG A 18 28.307 -29.515 -20.751 1.00 0.00 H new ATOM 0 HD3 ARG A 18 26.853 -29.815 -19.821 1.00 0.00 H new ATOM 0 HE ARG A 18 26.415 -28.203 -22.266 1.00 0.00 H new ATOM 0 HH11 ARG A 18 26.520 -31.452 -20.844 1.00 0.00 H new ATOM 0 HH12 ARG A 18 25.513 -32.168 -22.107 1.00 0.00 H new ATOM 0 HH21 ARG A 18 25.116 -29.129 -23.900 1.00 0.00 H new ATOM 0 HH22 ARG A 18 24.716 -30.849 -23.842 1.00 0.00 H new ATOM 285 N SER A 19 27.469 -24.203 -17.541 1.00 0.00 N ATOM 286 CA SER A 19 28.587 -23.420 -17.046 1.00 0.00 C ATOM 287 C SER A 19 29.863 -23.791 -17.805 1.00 0.00 C ATOM 288 O SER A 19 30.906 -24.027 -17.195 1.00 0.00 O ATOM 289 CB SER A 19 28.783 -23.629 -15.543 1.00 0.00 C ATOM 290 OG SER A 19 28.858 -22.394 -14.837 1.00 0.00 O ATOM 0 H SER A 19 26.622 -23.666 -17.728 1.00 0.00 H new ATOM 0 HA SER A 19 28.367 -22.366 -17.213 1.00 0.00 H new ATOM 0 HB2 SER A 19 27.958 -24.222 -15.149 1.00 0.00 H new ATOM 0 HB3 SER A 19 29.696 -24.200 -15.372 1.00 0.00 H new ATOM 0 HG SER A 19 28.981 -22.571 -13.881 1.00 0.00 H new ATOM 296 N GLN A 20 29.739 -23.832 -19.123 1.00 0.00 N ATOM 297 CA GLN A 20 30.868 -24.171 -19.971 1.00 0.00 C ATOM 298 C GLN A 20 31.621 -25.374 -19.399 1.00 0.00 C ATOM 299 O GLN A 20 32.850 -25.378 -19.354 1.00 0.00 O ATOM 300 CB GLN A 20 31.802 -22.971 -20.145 1.00 0.00 C ATOM 301 CG GLN A 20 32.209 -22.800 -21.610 1.00 0.00 C ATOM 302 CD GLN A 20 31.951 -21.370 -22.086 1.00 0.00 C ATOM 303 OE1 GLN A 20 31.137 -20.643 -21.541 1.00 0.00 O ATOM 304 NE2 GLN A 20 32.689 -21.006 -23.132 1.00 0.00 N ATOM 0 H GLN A 20 28.873 -23.636 -19.625 1.00 0.00 H new ATOM 0 HA GLN A 20 30.489 -24.441 -20.957 1.00 0.00 H new ATOM 0 HB2 GLN A 20 31.306 -22.066 -19.794 1.00 0.00 H new ATOM 0 HB3 GLN A 20 32.692 -23.106 -19.530 1.00 0.00 H new ATOM 0 HG2 GLN A 20 33.265 -23.042 -21.728 1.00 0.00 H new ATOM 0 HG3 GLN A 20 31.650 -23.500 -22.231 1.00 0.00 H new ATOM 0 HE21 GLN A 20 33.353 -21.663 -23.541 1.00 0.00 H new ATOM 0 HE22 GLN A 20 32.591 -20.070 -23.524 1.00 0.00 H new ATOM 313 N LEU A 21 30.851 -26.365 -18.973 1.00 0.00 N ATOM 314 CA LEU A 21 31.429 -27.570 -18.405 1.00 0.00 C ATOM 315 C LEU A 21 32.567 -28.058 -19.304 1.00 0.00 C ATOM 316 O LEU A 21 32.331 -28.768 -20.280 1.00 0.00 O ATOM 317 CB LEU A 21 30.345 -28.621 -18.160 1.00 0.00 C ATOM 318 CG LEU A 21 30.493 -29.453 -16.884 1.00 0.00 C ATOM 319 CD1 LEU A 21 29.909 -30.855 -17.073 1.00 0.00 C ATOM 320 CD2 LEU A 21 31.952 -29.497 -16.425 1.00 0.00 C ATOM 0 H LEU A 21 29.832 -26.357 -19.010 1.00 0.00 H new ATOM 0 HA LEU A 21 31.863 -27.360 -17.427 1.00 0.00 H new ATOM 0 HB2 LEU A 21 29.379 -28.118 -18.132 1.00 0.00 H new ATOM 0 HB3 LEU A 21 30.326 -29.300 -19.013 1.00 0.00 H new ATOM 0 HG LEU A 21 29.921 -28.970 -16.092 1.00 0.00 H new ATOM 0 HD11 LEU A 21 30.027 -31.426 -16.152 1.00 0.00 H new ATOM 0 HD12 LEU A 21 28.850 -30.778 -17.319 1.00 0.00 H new ATOM 0 HD13 LEU A 21 30.434 -31.362 -17.883 1.00 0.00 H new ATOM 0 HD21 LEU A 21 32.030 -30.094 -15.517 1.00 0.00 H new ATOM 0 HD22 LEU A 21 32.566 -29.944 -17.207 1.00 0.00 H new ATOM 0 HD23 LEU A 21 32.301 -28.484 -16.224 1.00 0.00 H new ATOM 332 N ASP A 22 33.778 -27.659 -18.943 1.00 0.00 N ATOM 333 CA ASP A 22 34.952 -28.046 -19.706 1.00 0.00 C ATOM 334 C ASP A 22 35.060 -29.573 -19.728 1.00 0.00 C ATOM 335 O ASP A 22 34.904 -30.224 -18.696 1.00 0.00 O ATOM 336 CB ASP A 22 36.229 -27.493 -19.071 1.00 0.00 C ATOM 337 CG ASP A 22 37.016 -26.516 -19.948 1.00 0.00 C ATOM 338 OD1 ASP A 22 36.516 -25.385 -20.128 1.00 0.00 O ATOM 339 OD2 ASP A 22 38.100 -26.924 -20.417 1.00 0.00 O ATOM 0 H ASP A 22 33.971 -27.071 -18.132 1.00 0.00 H new ATOM 0 HA ASP A 22 34.846 -27.644 -20.714 1.00 0.00 H new ATOM 0 HB2 ASP A 22 35.966 -26.991 -18.140 1.00 0.00 H new ATOM 0 HB3 ASP A 22 36.879 -28.329 -18.810 1.00 0.00 H new ATOM 344 N ARG A 23 35.324 -30.098 -20.915 1.00 0.00 N ATOM 345 CA ARG A 23 35.453 -31.535 -21.085 1.00 0.00 C ATOM 346 C ARG A 23 36.594 -32.071 -20.218 1.00 0.00 C ATOM 347 O ARG A 23 36.708 -33.279 -20.013 1.00 0.00 O ATOM 348 CB ARG A 23 35.722 -31.894 -22.548 1.00 0.00 C ATOM 349 CG ARG A 23 34.414 -32.157 -23.297 1.00 0.00 C ATOM 350 CD ARG A 23 33.731 -33.425 -22.781 1.00 0.00 C ATOM 351 NE ARG A 23 33.677 -34.443 -23.854 1.00 0.00 N ATOM 352 CZ ARG A 23 33.162 -35.671 -23.700 1.00 0.00 C ATOM 353 NH1 ARG A 23 32.655 -36.040 -22.516 1.00 0.00 N ATOM 354 NH2 ARG A 23 33.155 -36.529 -24.729 1.00 0.00 N ATOM 0 H ARG A 23 35.452 -29.554 -21.768 1.00 0.00 H new ATOM 0 HA ARG A 23 34.512 -31.992 -20.777 1.00 0.00 H new ATOM 0 HB2 ARG A 23 36.265 -31.082 -23.032 1.00 0.00 H new ATOM 0 HB3 ARG A 23 36.358 -32.778 -22.598 1.00 0.00 H new ATOM 0 HG2 ARG A 23 33.745 -31.305 -23.177 1.00 0.00 H new ATOM 0 HG3 ARG A 23 34.615 -32.257 -24.364 1.00 0.00 H new ATOM 0 HD2 ARG A 23 34.276 -33.818 -21.923 1.00 0.00 H new ATOM 0 HD3 ARG A 23 32.723 -33.191 -22.439 1.00 0.00 H new ATOM 0 HE ARG A 23 34.055 -34.195 -24.768 1.00 0.00 H new ATOM 0 HH11 ARG A 23 32.661 -35.387 -21.733 1.00 0.00 H new ATOM 0 HH12 ARG A 23 32.263 -36.974 -22.398 1.00 0.00 H new ATOM 0 HH21 ARG A 23 33.542 -36.248 -25.630 1.00 0.00 H new ATOM 0 HH22 ARG A 23 32.763 -37.463 -24.611 1.00 0.00 H new ATOM 368 N ASP A 24 37.411 -31.147 -19.732 1.00 0.00 N ATOM 369 CA ASP A 24 38.538 -31.513 -18.892 1.00 0.00 C ATOM 370 C ASP A 24 38.398 -30.827 -17.532 1.00 0.00 C ATOM 371 O ASP A 24 39.396 -30.488 -16.897 1.00 0.00 O ATOM 372 CB ASP A 24 39.859 -31.058 -19.516 1.00 0.00 C ATOM 373 CG ASP A 24 39.839 -29.655 -20.124 1.00 0.00 C ATOM 374 OD1 ASP A 24 40.153 -28.706 -19.373 1.00 0.00 O ATOM 375 OD2 ASP A 24 39.510 -29.562 -21.326 1.00 0.00 O ATOM 0 H ASP A 24 37.314 -30.146 -19.904 1.00 0.00 H new ATOM 0 HA ASP A 24 38.543 -32.598 -18.787 1.00 0.00 H new ATOM 0 HB2 ASP A 24 40.636 -31.095 -18.752 1.00 0.00 H new ATOM 0 HB3 ASP A 24 40.141 -31.770 -20.292 1.00 0.00 H new ATOM 380 N GLN A 25 37.151 -30.645 -17.122 1.00 0.00 N ATOM 381 CA GLN A 25 36.866 -30.006 -15.849 1.00 0.00 C ATOM 382 C GLN A 25 36.088 -30.958 -14.939 1.00 0.00 C ATOM 383 O GLN A 25 35.753 -32.072 -15.343 1.00 0.00 O ATOM 384 CB GLN A 25 36.105 -28.695 -16.051 1.00 0.00 C ATOM 385 CG GLN A 25 37.025 -27.489 -15.848 1.00 0.00 C ATOM 386 CD GLN A 25 36.233 -26.181 -15.898 1.00 0.00 C ATOM 387 OE1 GLN A 25 36.441 -25.331 -16.749 1.00 0.00 O ATOM 388 NE2 GLN A 25 35.317 -26.067 -14.941 1.00 0.00 N ATOM 0 H GLN A 25 36.326 -30.929 -17.650 1.00 0.00 H new ATOM 0 HA GLN A 25 37.813 -29.766 -15.366 1.00 0.00 H new ATOM 0 HB2 GLN A 25 35.680 -28.668 -17.055 1.00 0.00 H new ATOM 0 HB3 GLN A 25 35.271 -28.643 -15.351 1.00 0.00 H new ATOM 0 HG2 GLN A 25 37.535 -27.573 -14.888 1.00 0.00 H new ATOM 0 HG3 GLN A 25 37.796 -27.481 -16.619 1.00 0.00 H new ATOM 0 HE21 GLN A 25 35.195 -26.817 -14.260 1.00 0.00 H new ATOM 0 HE22 GLN A 25 34.736 -25.230 -14.888 1.00 0.00 H new ATOM 397 N CYS A 26 35.822 -30.487 -13.731 1.00 0.00 N ATOM 398 CA CYS A 26 35.089 -31.283 -12.760 1.00 0.00 C ATOM 399 C CYS A 26 33.700 -30.666 -12.586 1.00 0.00 C ATOM 400 O CYS A 26 33.572 -29.456 -12.406 1.00 0.00 O ATOM 401 CB CYS A 26 35.839 -31.386 -11.431 1.00 0.00 C ATOM 402 SG CYS A 26 34.851 -32.349 -10.229 1.00 0.00 S ATOM 0 H CYS A 26 36.101 -29.563 -13.401 1.00 0.00 H new ATOM 0 HA CYS A 26 34.989 -32.305 -13.124 1.00 0.00 H new ATOM 0 HB2 CYS A 26 36.806 -31.864 -11.586 1.00 0.00 H new ATOM 0 HB3 CYS A 26 36.036 -30.389 -11.037 1.00 0.00 H new ATOM 407 N ALA A 27 32.694 -31.527 -12.645 1.00 0.00 N ATOM 408 CA ALA A 27 31.319 -31.082 -12.495 1.00 0.00 C ATOM 409 C ALA A 27 30.864 -31.318 -11.053 1.00 0.00 C ATOM 410 O ALA A 27 29.702 -31.635 -10.808 1.00 0.00 O ATOM 411 CB ALA A 27 30.434 -31.808 -13.511 1.00 0.00 C ATOM 0 H ALA A 27 32.804 -32.530 -12.795 1.00 0.00 H new ATOM 0 HA ALA A 27 31.238 -30.014 -12.695 1.00 0.00 H new ATOM 0 HB1 ALA A 27 29.402 -31.474 -13.399 1.00 0.00 H new ATOM 0 HB2 ALA A 27 30.780 -31.584 -14.520 1.00 0.00 H new ATOM 0 HB3 ALA A 27 30.489 -32.883 -13.339 1.00 0.00 H new ATOM 417 N TYR A 28 31.807 -31.154 -10.136 1.00 0.00 N ATOM 418 CA TYR A 28 31.519 -31.344 -8.725 1.00 0.00 C ATOM 419 C TYR A 28 32.050 -30.175 -7.894 1.00 0.00 C ATOM 420 O TYR A 28 31.277 -29.460 -7.257 1.00 0.00 O ATOM 421 CB TYR A 28 32.253 -32.622 -8.313 1.00 0.00 C ATOM 422 CG TYR A 28 31.662 -33.311 -7.082 1.00 0.00 C ATOM 423 CD1 TYR A 28 30.459 -33.981 -7.176 1.00 0.00 C ATOM 424 CD2 TYR A 28 32.331 -33.263 -5.876 1.00 0.00 C ATOM 425 CE1 TYR A 28 29.902 -34.630 -6.018 1.00 0.00 C ATOM 426 CE2 TYR A 28 31.775 -33.911 -4.717 1.00 0.00 C ATOM 427 CZ TYR A 28 30.587 -34.562 -4.845 1.00 0.00 C ATOM 428 OH TYR A 28 30.061 -35.175 -3.751 1.00 0.00 O ATOM 0 H TYR A 28 32.771 -30.892 -10.343 1.00 0.00 H new ATOM 0 HA TYR A 28 30.444 -31.407 -8.558 1.00 0.00 H new ATOM 0 HB2 TYR A 28 32.240 -33.321 -9.149 1.00 0.00 H new ATOM 0 HB3 TYR A 28 33.297 -32.381 -8.115 1.00 0.00 H new ATOM 0 HD1 TYR A 28 29.935 -34.018 -8.120 1.00 0.00 H new ATOM 0 HD2 TYR A 28 33.272 -32.739 -5.802 1.00 0.00 H new ATOM 0 HE1 TYR A 28 28.962 -35.159 -6.079 1.00 0.00 H new ATOM 0 HE2 TYR A 28 32.289 -33.881 -3.768 1.00 0.00 H new ATOM 0 HH TYR A 28 29.533 -35.951 -4.033 1.00 0.00 H new ATOM 438 N CYS A 29 33.364 -30.017 -7.926 1.00 0.00 N ATOM 439 CA CYS A 29 34.008 -28.946 -7.183 1.00 0.00 C ATOM 440 C CYS A 29 34.156 -27.739 -8.112 1.00 0.00 C ATOM 441 O CYS A 29 34.195 -26.598 -7.653 1.00 0.00 O ATOM 442 CB CYS A 29 35.352 -29.388 -6.603 1.00 0.00 C ATOM 443 SG CYS A 29 36.466 -29.933 -7.949 1.00 0.00 S ATOM 0 H CYS A 29 34.001 -30.612 -8.455 1.00 0.00 H new ATOM 0 HA CYS A 29 33.391 -28.672 -6.327 1.00 0.00 H new ATOM 0 HB2 CYS A 29 35.808 -28.565 -6.053 1.00 0.00 H new ATOM 0 HB3 CYS A 29 35.201 -30.201 -5.893 1.00 0.00 H new ATOM 448 N LYS A 30 34.237 -28.032 -9.402 1.00 0.00 N ATOM 449 CA LYS A 30 34.380 -26.985 -10.399 1.00 0.00 C ATOM 450 C LYS A 30 35.865 -26.774 -10.701 1.00 0.00 C ATOM 451 O LYS A 30 36.272 -25.685 -11.102 1.00 0.00 O ATOM 452 CB LYS A 30 33.658 -25.713 -9.949 1.00 0.00 C ATOM 453 CG LYS A 30 32.303 -26.046 -9.320 1.00 0.00 C ATOM 454 CD LYS A 30 31.163 -25.369 -10.084 1.00 0.00 C ATOM 455 CE LYS A 30 30.382 -26.386 -10.917 1.00 0.00 C ATOM 456 NZ LYS A 30 29.619 -25.703 -11.987 1.00 0.00 N ATOM 0 H LYS A 30 34.206 -28.979 -9.779 1.00 0.00 H new ATOM 0 HA LYS A 30 33.902 -27.281 -11.333 1.00 0.00 H new ATOM 0 HB2 LYS A 30 34.275 -25.175 -9.229 1.00 0.00 H new ATOM 0 HB3 LYS A 30 33.514 -25.051 -10.803 1.00 0.00 H new ATOM 0 HG2 LYS A 30 32.154 -27.126 -9.319 1.00 0.00 H new ATOM 0 HG3 LYS A 30 32.291 -25.722 -8.279 1.00 0.00 H new ATOM 0 HD2 LYS A 30 30.491 -24.877 -9.381 1.00 0.00 H new ATOM 0 HD3 LYS A 30 31.567 -24.594 -10.735 1.00 0.00 H new ATOM 0 HE2 LYS A 30 31.069 -27.109 -11.357 1.00 0.00 H new ATOM 0 HE3 LYS A 30 29.700 -26.944 -10.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 29.121 -26.411 -12.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 28.926 -25.055 -11.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 30.273 -25.163 -12.589 1.00 0.00 H new ATOM 470 N GLU A 31 36.634 -27.834 -10.496 1.00 0.00 N ATOM 471 CA GLU A 31 38.065 -27.779 -10.741 1.00 0.00 C ATOM 472 C GLU A 31 38.369 -28.141 -12.197 1.00 0.00 C ATOM 473 O GLU A 31 37.482 -28.580 -12.928 1.00 0.00 O ATOM 474 CB GLU A 31 38.821 -28.696 -9.779 1.00 0.00 C ATOM 475 CG GLU A 31 40.309 -28.339 -9.736 1.00 0.00 C ATOM 476 CD GLU A 31 41.128 -29.294 -10.607 1.00 0.00 C ATOM 477 OE1 GLU A 31 40.576 -30.360 -10.954 1.00 0.00 O ATOM 478 OE2 GLU A 31 42.288 -28.936 -10.906 1.00 0.00 O ATOM 0 H GLU A 31 36.293 -28.736 -10.163 1.00 0.00 H new ATOM 0 HA GLU A 31 38.406 -26.759 -10.562 1.00 0.00 H new ATOM 0 HB2 GLU A 31 38.394 -28.612 -8.780 1.00 0.00 H new ATOM 0 HB3 GLU A 31 38.701 -29.734 -10.090 1.00 0.00 H new ATOM 0 HG2 GLU A 31 40.451 -27.315 -10.081 1.00 0.00 H new ATOM 0 HG3 GLU A 31 40.667 -28.382 -8.707 1.00 0.00 H new ATOM 485 N LYS A 32 39.623 -27.944 -12.572 1.00 0.00 N ATOM 486 CA LYS A 32 40.055 -28.244 -13.928 1.00 0.00 C ATOM 487 C LYS A 32 41.263 -29.183 -13.878 1.00 0.00 C ATOM 488 O LYS A 32 42.291 -28.846 -13.292 1.00 0.00 O ATOM 489 CB LYS A 32 40.312 -26.953 -14.706 1.00 0.00 C ATOM 490 CG LYS A 32 41.516 -26.200 -14.139 1.00 0.00 C ATOM 491 CD LYS A 32 41.536 -24.750 -14.626 1.00 0.00 C ATOM 492 CE LYS A 32 40.803 -23.832 -13.648 1.00 0.00 C ATOM 493 NZ LYS A 32 39.610 -23.237 -14.290 1.00 0.00 N ATOM 0 H LYS A 32 40.355 -27.580 -11.962 1.00 0.00 H new ATOM 0 HA LYS A 32 39.268 -28.765 -14.472 1.00 0.00 H new ATOM 0 HB2 LYS A 32 40.487 -27.186 -15.756 1.00 0.00 H new ATOM 0 HB3 LYS A 32 39.428 -26.317 -14.663 1.00 0.00 H new ATOM 0 HG2 LYS A 32 41.482 -26.221 -13.050 1.00 0.00 H new ATOM 0 HG3 LYS A 32 42.437 -26.701 -14.439 1.00 0.00 H new ATOM 0 HD2 LYS A 32 42.567 -24.416 -14.741 1.00 0.00 H new ATOM 0 HD3 LYS A 32 41.069 -24.687 -15.609 1.00 0.00 H new ATOM 0 HE2 LYS A 32 40.504 -24.396 -12.765 1.00 0.00 H new ATOM 0 HE3 LYS A 32 41.473 -23.042 -13.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 39.124 -22.616 -13.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 39.903 -22.682 -15.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 38.964 -23.994 -14.591 1.00 0.00 H new ATOM 507 N GLY A 33 41.098 -30.340 -14.500 1.00 0.00 N ATOM 508 CA GLY A 33 42.161 -31.329 -14.533 1.00 0.00 C ATOM 509 C GLY A 33 41.619 -32.729 -14.237 1.00 0.00 C ATOM 510 O GLY A 33 41.871 -33.669 -14.988 1.00 0.00 O ATOM 0 H GLY A 33 40.244 -30.615 -14.985 1.00 0.00 H new ATOM 0 HA2 GLY A 33 42.640 -31.320 -15.512 1.00 0.00 H new ATOM 0 HA3 GLY A 33 42.926 -31.070 -13.802 1.00 0.00 H new ATOM 514 N HIS A 34 40.882 -32.823 -13.139 1.00 0.00 N ATOM 515 CA HIS A 34 40.302 -34.092 -12.734 1.00 0.00 C ATOM 516 C HIS A 34 38.803 -34.092 -13.043 1.00 0.00 C ATOM 517 O HIS A 34 38.189 -33.033 -13.162 1.00 0.00 O ATOM 518 CB HIS A 34 40.603 -34.382 -11.263 1.00 0.00 C ATOM 519 CG HIS A 34 39.777 -33.568 -10.294 1.00 0.00 C ATOM 520 ND1 HIS A 34 40.273 -32.458 -9.634 1.00 0.00 N ATOM 521 CD2 HIS A 34 38.485 -33.716 -9.883 1.00 0.00 C ATOM 522 CE1 HIS A 34 39.314 -31.968 -8.862 1.00 0.00 C ATOM 523 NE2 HIS A 34 38.207 -32.749 -9.017 1.00 0.00 N ATOM 0 H HIS A 34 40.674 -32.041 -12.518 1.00 0.00 H new ATOM 0 HA HIS A 34 40.756 -34.902 -13.304 1.00 0.00 H new ATOM 0 HB2 HIS A 34 40.432 -35.441 -11.070 1.00 0.00 H new ATOM 0 HB3 HIS A 34 41.659 -34.190 -11.074 1.00 0.00 H new ATOM 0 HD1 HIS A 34 41.216 -32.081 -9.726 1.00 0.00 H new ATOM 0 HD2 HIS A 34 37.804 -34.489 -10.207 1.00 0.00 H new ATOM 0 HE1 HIS A 34 39.395 -31.102 -8.222 1.00 0.00 H new ATOM 531 N TRP A 35 38.257 -35.293 -13.166 1.00 0.00 N ATOM 532 CA TRP A 35 36.843 -35.446 -13.459 1.00 0.00 C ATOM 533 C TRP A 35 36.104 -35.650 -12.134 1.00 0.00 C ATOM 534 O TRP A 35 36.707 -36.046 -11.138 1.00 0.00 O ATOM 535 CB TRP A 35 36.609 -36.584 -14.455 1.00 0.00 C ATOM 536 CG TRP A 35 36.620 -36.140 -15.919 1.00 0.00 C ATOM 537 CD1 TRP A 35 37.379 -35.194 -16.489 1.00 0.00 C ATOM 538 CD2 TRP A 35 35.801 -36.668 -16.984 1.00 0.00 C ATOM 539 NE1 TRP A 35 37.110 -35.074 -17.837 1.00 0.00 N ATOM 540 CE2 TRP A 35 36.119 -35.999 -18.148 1.00 0.00 C ATOM 541 CE3 TRP A 35 34.822 -37.677 -16.964 1.00 0.00 C ATOM 542 CZ2 TRP A 35 35.506 -36.265 -19.378 1.00 0.00 C ATOM 543 CZ3 TRP A 35 34.218 -37.932 -18.201 1.00 0.00 C ATOM 544 CH2 TRP A 35 34.528 -37.266 -19.381 1.00 0.00 C ATOM 0 H TRP A 35 38.769 -36.170 -13.068 1.00 0.00 H new ATOM 0 HA TRP A 35 36.451 -34.551 -13.942 1.00 0.00 H new ATOM 0 HB2 TRP A 35 37.377 -37.344 -14.310 1.00 0.00 H new ATOM 0 HB3 TRP A 35 35.650 -37.054 -14.236 1.00 0.00 H new ATOM 0 HD1 TRP A 35 38.109 -34.600 -15.960 1.00 0.00 H new ATOM 0 HE1 TRP A 35 37.556 -34.426 -18.486 1.00 0.00 H new ATOM 0 HE3 TRP A 35 34.557 -38.213 -16.065 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 35.773 -35.727 -20.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 33.459 -38.699 -18.241 1.00 0.00 H new ATOM 0 HH2 TRP A 35 34.016 -37.520 -20.297 1.00 0.00 H new ATOM 555 N ALA A 36 34.810 -35.369 -12.166 1.00 0.00 N ATOM 556 CA ALA A 36 33.983 -35.517 -10.980 1.00 0.00 C ATOM 557 C ALA A 36 34.054 -36.965 -10.491 1.00 0.00 C ATOM 558 O ALA A 36 34.030 -37.221 -9.288 1.00 0.00 O ATOM 559 CB ALA A 36 32.552 -35.078 -11.297 1.00 0.00 C ATOM 0 H ALA A 36 34.314 -35.040 -12.994 1.00 0.00 H new ATOM 0 HA ALA A 36 34.349 -34.879 -10.175 1.00 0.00 H new ATOM 0 HB1 ALA A 36 31.932 -35.189 -10.408 1.00 0.00 H new ATOM 0 HB2 ALA A 36 32.553 -34.034 -11.611 1.00 0.00 H new ATOM 0 HB3 ALA A 36 32.151 -35.698 -12.099 1.00 0.00 H new ATOM 565 N LYS A 37 34.141 -37.876 -11.450 1.00 0.00 N ATOM 566 CA LYS A 37 34.215 -39.292 -11.132 1.00 0.00 C ATOM 567 C LYS A 37 35.486 -39.564 -10.325 1.00 0.00 C ATOM 568 O LYS A 37 35.640 -40.636 -9.745 1.00 0.00 O ATOM 569 CB LYS A 37 34.103 -40.133 -12.405 1.00 0.00 C ATOM 570 CG LYS A 37 32.645 -40.489 -12.701 1.00 0.00 C ATOM 571 CD LYS A 37 31.940 -39.345 -13.434 1.00 0.00 C ATOM 572 CE LYS A 37 30.601 -39.014 -12.771 1.00 0.00 C ATOM 573 NZ LYS A 37 29.634 -40.116 -12.976 1.00 0.00 N ATOM 0 H LYS A 37 34.162 -37.661 -12.447 1.00 0.00 H new ATOM 0 HA LYS A 37 33.372 -39.587 -10.507 1.00 0.00 H new ATOM 0 HB2 LYS A 37 34.525 -39.583 -13.246 1.00 0.00 H new ATOM 0 HB3 LYS A 37 34.689 -41.046 -12.295 1.00 0.00 H new ATOM 0 HG2 LYS A 37 32.604 -41.394 -13.307 1.00 0.00 H new ATOM 0 HG3 LYS A 37 32.123 -40.705 -11.769 1.00 0.00 H new ATOM 0 HD2 LYS A 37 32.578 -38.461 -13.436 1.00 0.00 H new ATOM 0 HD3 LYS A 37 31.776 -39.622 -14.476 1.00 0.00 H new ATOM 0 HE2 LYS A 37 30.749 -38.846 -11.704 1.00 0.00 H new ATOM 0 HE3 LYS A 37 30.201 -38.089 -13.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 28.731 -39.875 -12.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 29.480 -40.258 -13.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 30.011 -40.991 -12.558 1.00 0.00 H new ATOM 587 N ASP A 38 36.365 -38.571 -10.315 1.00 0.00 N ATOM 588 CA ASP A 38 37.618 -38.689 -9.589 1.00 0.00 C ATOM 589 C ASP A 38 37.862 -37.407 -8.789 1.00 0.00 C ATOM 590 O ASP A 38 39.001 -36.967 -8.650 1.00 0.00 O ATOM 591 CB ASP A 38 38.794 -38.879 -10.548 1.00 0.00 C ATOM 592 CG ASP A 38 39.792 -39.965 -10.142 1.00 0.00 C ATOM 593 OD1 ASP A 38 39.890 -40.218 -8.922 1.00 0.00 O ATOM 594 OD2 ASP A 38 40.433 -40.520 -11.061 1.00 0.00 O ATOM 0 H ASP A 38 36.234 -37.682 -10.798 1.00 0.00 H new ATOM 0 HA ASP A 38 37.546 -39.555 -8.931 1.00 0.00 H new ATOM 0 HB2 ASP A 38 38.402 -39.119 -11.536 1.00 0.00 H new ATOM 0 HB3 ASP A 38 39.327 -37.932 -10.637 1.00 0.00 H new ATOM 599 N CYS A 39 36.772 -36.846 -8.285 1.00 0.00 N ATOM 600 CA CYS A 39 36.853 -35.625 -7.503 1.00 0.00 C ATOM 601 C CYS A 39 37.429 -35.971 -6.129 1.00 0.00 C ATOM 602 O CYS A 39 36.984 -36.922 -5.487 1.00 0.00 O ATOM 603 CB CYS A 39 35.494 -34.931 -7.394 1.00 0.00 C ATOM 604 SG CYS A 39 35.686 -33.299 -6.591 1.00 0.00 S ATOM 0 H CYS A 39 35.829 -37.215 -8.403 1.00 0.00 H new ATOM 0 HA CYS A 39 37.511 -34.914 -8.003 1.00 0.00 H new ATOM 0 HB2 CYS A 39 35.059 -34.808 -8.386 1.00 0.00 H new ATOM 0 HB3 CYS A 39 34.806 -35.550 -6.818 1.00 0.00 H new ATOM 609 N PRO A 40 38.437 -35.160 -5.707 1.00 0.00 N ATOM 610 CA PRO A 40 39.078 -35.372 -4.421 1.00 0.00 C ATOM 611 C PRO A 40 38.177 -34.906 -3.275 1.00 0.00 C ATOM 612 O PRO A 40 38.557 -34.989 -2.109 1.00 0.00 O ATOM 613 CB PRO A 40 40.384 -34.599 -4.500 1.00 0.00 C ATOM 614 CG PRO A 40 40.215 -33.610 -5.642 1.00 0.00 C ATOM 615 CD PRO A 40 38.989 -34.026 -6.440 1.00 0.00 C ATOM 0 HA PRO A 40 39.265 -36.426 -4.214 1.00 0.00 H new ATOM 0 HB2 PRO A 40 40.589 -34.082 -3.563 1.00 0.00 H new ATOM 0 HB3 PRO A 40 41.224 -35.269 -4.685 1.00 0.00 H new ATOM 0 HG2 PRO A 40 40.094 -32.598 -5.256 1.00 0.00 H new ATOM 0 HG3 PRO A 40 41.101 -33.605 -6.277 1.00 0.00 H new ATOM 0 HD2 PRO A 40 38.268 -33.212 -6.511 1.00 0.00 H new ATOM 0 HD3 PRO A 40 39.256 -34.305 -7.459 1.00 0.00 H new ATOM 623 N LYS A 41 37.000 -34.426 -3.649 1.00 0.00 N ATOM 624 CA LYS A 41 36.042 -33.947 -2.668 1.00 0.00 C ATOM 625 C LYS A 41 35.023 -35.051 -2.374 1.00 0.00 C ATOM 626 O LYS A 41 34.347 -35.019 -1.347 1.00 0.00 O ATOM 627 CB LYS A 41 35.408 -32.635 -3.133 1.00 0.00 C ATOM 628 CG LYS A 41 34.649 -31.956 -1.991 1.00 0.00 C ATOM 629 CD LYS A 41 33.862 -30.746 -2.498 1.00 0.00 C ATOM 630 CE LYS A 41 32.886 -30.242 -1.434 1.00 0.00 C ATOM 631 NZ LYS A 41 33.443 -29.060 -0.739 1.00 0.00 N ATOM 0 H LYS A 41 36.688 -34.359 -4.618 1.00 0.00 H new ATOM 0 HA LYS A 41 36.544 -33.716 -1.728 1.00 0.00 H new ATOM 0 HB2 LYS A 41 36.182 -31.966 -3.508 1.00 0.00 H new ATOM 0 HB3 LYS A 41 34.727 -32.830 -3.961 1.00 0.00 H new ATOM 0 HG2 LYS A 41 33.967 -32.669 -1.528 1.00 0.00 H new ATOM 0 HG3 LYS A 41 35.352 -31.640 -1.220 1.00 0.00 H new ATOM 0 HD2 LYS A 41 34.552 -29.948 -2.771 1.00 0.00 H new ATOM 0 HD3 LYS A 41 33.314 -31.016 -3.401 1.00 0.00 H new ATOM 0 HE2 LYS A 41 31.934 -29.983 -1.898 1.00 0.00 H new ATOM 0 HE3 LYS A 41 32.684 -31.034 -0.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 32.768 -28.730 -0.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 34.340 -29.318 -0.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 33.613 -28.300 -1.428 1.00 0.00 H new ATOM 645 N LYS A 42 34.946 -36.001 -3.295 1.00 0.00 N ATOM 646 CA LYS A 42 34.022 -37.112 -3.148 1.00 0.00 C ATOM 647 C LYS A 42 34.000 -37.562 -1.686 1.00 0.00 C ATOM 648 O LYS A 42 34.890 -38.286 -1.242 1.00 0.00 O ATOM 649 CB LYS A 42 34.370 -38.232 -4.131 1.00 0.00 C ATOM 650 CG LYS A 42 34.012 -37.834 -5.565 1.00 0.00 C ATOM 651 CD LYS A 42 33.532 -39.045 -6.366 1.00 0.00 C ATOM 652 CE LYS A 42 32.007 -39.051 -6.491 1.00 0.00 C ATOM 653 NZ LYS A 42 31.596 -39.572 -7.813 1.00 0.00 N ATOM 0 H LYS A 42 35.509 -36.024 -4.146 1.00 0.00 H new ATOM 0 HA LYS A 42 33.009 -36.800 -3.401 1.00 0.00 H new ATOM 0 HB2 LYS A 42 35.434 -38.459 -4.068 1.00 0.00 H new ATOM 0 HB3 LYS A 42 33.834 -39.141 -3.857 1.00 0.00 H new ATOM 0 HG2 LYS A 42 33.234 -37.071 -5.551 1.00 0.00 H new ATOM 0 HG3 LYS A 42 34.882 -37.393 -6.052 1.00 0.00 H new ATOM 0 HD2 LYS A 42 33.982 -39.030 -7.359 1.00 0.00 H new ATOM 0 HD3 LYS A 42 33.864 -39.962 -5.879 1.00 0.00 H new ATOM 0 HE2 LYS A 42 31.574 -39.665 -5.701 1.00 0.00 H new ATOM 0 HE3 LYS A 42 31.621 -38.040 -6.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 30.673 -39.170 -8.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 32.304 -39.305 -8.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 31.522 -40.608 -7.770 1.00 0.00 H new ATOM 667 N PRO A 43 32.947 -37.103 -0.958 1.00 0.00 N ATOM 668 CA PRO A 43 32.798 -37.450 0.444 1.00 0.00 C ATOM 669 C PRO A 43 32.322 -38.895 0.604 1.00 0.00 C ATOM 670 O PRO A 43 31.713 -39.455 -0.306 1.00 0.00 O ATOM 671 CB PRO A 43 31.812 -36.434 0.998 1.00 0.00 C ATOM 672 CG PRO A 43 31.093 -35.851 -0.207 1.00 0.00 C ATOM 673 CD PRO A 43 31.875 -36.243 -1.450 1.00 0.00 C ATOM 0 HA PRO A 43 33.740 -37.409 0.990 1.00 0.00 H new ATOM 0 HB2 PRO A 43 31.107 -36.907 1.682 1.00 0.00 H new ATOM 0 HB3 PRO A 43 32.328 -35.655 1.559 1.00 0.00 H new ATOM 0 HG2 PRO A 43 30.072 -36.230 -0.263 1.00 0.00 H new ATOM 0 HG3 PRO A 43 31.026 -34.766 -0.124 1.00 0.00 H new ATOM 0 HD2 PRO A 43 31.243 -36.768 -2.166 1.00 0.00 H new ATOM 0 HD3 PRO A 43 32.274 -35.366 -1.960 1.00 0.00 H new ATOM 681 N ARG A 44 32.617 -39.457 1.766 1.00 0.00 N ATOM 682 CA ARG A 44 32.226 -40.826 2.057 1.00 0.00 C ATOM 683 C ARG A 44 30.921 -40.847 2.856 1.00 0.00 C ATOM 684 O ARG A 44 30.942 -40.898 4.084 1.00 0.00 O ATOM 685 CB ARG A 44 33.314 -41.553 2.850 1.00 0.00 C ATOM 686 CG ARG A 44 34.366 -42.154 1.916 1.00 0.00 C ATOM 687 CD ARG A 44 34.809 -43.534 2.404 1.00 0.00 C ATOM 688 NE ARG A 44 36.095 -43.426 3.129 1.00 0.00 N ATOM 689 CZ ARG A 44 36.199 -43.131 4.432 1.00 0.00 C ATOM 690 NH1 ARG A 44 35.096 -42.913 5.161 1.00 0.00 N ATOM 691 NH2 ARG A 44 37.408 -43.054 5.006 1.00 0.00 N ATOM 0 H ARG A 44 33.123 -38.989 2.518 1.00 0.00 H new ATOM 0 HA ARG A 44 32.082 -41.339 1.106 1.00 0.00 H new ATOM 0 HB2 ARG A 44 33.791 -40.858 3.541 1.00 0.00 H new ATOM 0 HB3 ARG A 44 32.864 -42.342 3.452 1.00 0.00 H new ATOM 0 HG2 ARG A 44 33.959 -42.234 0.908 1.00 0.00 H new ATOM 0 HG3 ARG A 44 35.229 -41.490 1.859 1.00 0.00 H new ATOM 0 HD2 ARG A 44 34.048 -43.959 3.058 1.00 0.00 H new ATOM 0 HD3 ARG A 44 34.916 -44.211 1.557 1.00 0.00 H new ATOM 0 HE ARG A 44 36.955 -43.586 2.604 1.00 0.00 H new ATOM 0 HH11 ARG A 44 34.176 -42.972 4.724 1.00 0.00 H new ATOM 0 HH12 ARG A 44 35.176 -42.689 6.153 1.00 0.00 H new ATOM 0 HH21 ARG A 44 38.248 -43.220 4.451 1.00 0.00 H new ATOM 0 HH22 ARG A 44 37.488 -42.829 5.998 1.00 0.00 H new ATOM 705 N GLY A 45 29.817 -40.809 2.125 1.00 0.00 N ATOM 706 CA GLY A 45 28.505 -40.823 2.750 1.00 0.00 C ATOM 707 C GLY A 45 28.336 -39.634 3.699 1.00 0.00 C ATOM 708 O GLY A 45 29.272 -38.864 3.907 1.00 0.00 O ATOM 0 H GLY A 45 29.804 -40.769 1.106 1.00 0.00 H new ATOM 0 HA2 GLY A 45 27.732 -40.792 1.982 1.00 0.00 H new ATOM 0 HA3 GLY A 45 28.371 -41.754 3.301 1.00 0.00 H new ATOM 712 N PRO A 46 27.104 -39.520 4.264 1.00 0.00 N ATOM 713 CA PRO A 46 26.052 -40.476 3.964 1.00 0.00 C ATOM 714 C PRO A 46 25.472 -40.234 2.569 1.00 0.00 C ATOM 715 O PRO A 46 25.346 -39.090 2.134 1.00 0.00 O ATOM 716 CB PRO A 46 25.028 -40.294 5.072 1.00 0.00 C ATOM 717 CG PRO A 46 25.315 -38.933 5.685 1.00 0.00 C ATOM 718 CD PRO A 46 26.683 -38.482 5.199 1.00 0.00 C ATOM 0 HA PRO A 46 26.413 -41.504 3.938 1.00 0.00 H new ATOM 0 HB2 PRO A 46 24.013 -40.338 4.677 1.00 0.00 H new ATOM 0 HB3 PRO A 46 25.115 -41.084 5.818 1.00 0.00 H new ATOM 0 HG2 PRO A 46 24.550 -38.214 5.393 1.00 0.00 H new ATOM 0 HG3 PRO A 46 25.297 -38.993 6.773 1.00 0.00 H new ATOM 0 HD2 PRO A 46 26.629 -37.508 4.712 1.00 0.00 H new ATOM 0 HD3 PRO A 46 27.386 -38.386 6.027 1.00 0.00 H new ATOM 726 N ARG A 47 25.137 -41.330 1.904 1.00 0.00 N ATOM 727 CA ARG A 47 24.574 -41.251 0.566 1.00 0.00 C ATOM 728 C ARG A 47 25.666 -40.920 -0.451 1.00 0.00 C ATOM 729 O ARG A 47 26.538 -40.093 -0.184 1.00 0.00 O ATOM 730 CB ARG A 47 23.478 -40.186 0.492 1.00 0.00 C ATOM 731 CG ARG A 47 22.585 -40.403 -0.731 1.00 0.00 C ATOM 732 CD ARG A 47 21.179 -40.838 -0.314 1.00 0.00 C ATOM 733 NE ARG A 47 20.197 -39.789 -0.668 1.00 0.00 N ATOM 734 CZ ARG A 47 19.899 -38.744 0.117 1.00 0.00 C ATOM 735 NH1 ARG A 47 20.504 -38.604 1.304 1.00 0.00 N ATOM 736 NH2 ARG A 47 18.996 -37.840 -0.285 1.00 0.00 N ATOM 0 H ARG A 47 25.244 -42.277 2.266 1.00 0.00 H new ATOM 0 HA ARG A 47 24.138 -42.222 0.332 1.00 0.00 H new ATOM 0 HB2 ARG A 47 22.873 -40.218 1.398 1.00 0.00 H new ATOM 0 HB3 ARG A 47 23.931 -39.196 0.445 1.00 0.00 H new ATOM 0 HG2 ARG A 47 22.527 -39.482 -1.311 1.00 0.00 H new ATOM 0 HG3 ARG A 47 23.027 -41.161 -1.378 1.00 0.00 H new ATOM 0 HD2 ARG A 47 20.918 -41.774 -0.808 1.00 0.00 H new ATOM 0 HD3 ARG A 47 21.151 -41.026 0.759 1.00 0.00 H new ATOM 0 HE ARG A 47 19.717 -39.866 -1.565 1.00 0.00 H new ATOM 0 HH11 ARG A 47 21.191 -39.292 1.610 1.00 0.00 H new ATOM 0 HH12 ARG A 47 20.277 -37.809 1.901 1.00 0.00 H new ATOM 0 HH21 ARG A 47 18.535 -37.947 -1.189 1.00 0.00 H new ATOM 0 HH22 ARG A 47 18.769 -37.045 0.312 1.00 0.00 H new ATOM 750 N GLY A 48 25.586 -41.582 -1.596 1.00 0.00 N ATOM 751 CA GLY A 48 26.558 -41.367 -2.654 1.00 0.00 C ATOM 752 C GLY A 48 26.255 -42.255 -3.864 1.00 0.00 C ATOM 753 O GLY A 48 25.093 -42.513 -4.173 1.00 0.00 O ATOM 0 H GLY A 48 24.863 -42.268 -1.814 1.00 0.00 H new ATOM 0 HA2 GLY A 48 26.548 -40.319 -2.955 1.00 0.00 H new ATOM 0 HA3 GLY A 48 27.560 -41.582 -2.282 1.00 0.00 H new ATOM 757 N PRO A 49 27.350 -42.708 -4.533 1.00 0.00 N ATOM 758 CA PRO A 49 27.213 -43.560 -5.701 1.00 0.00 C ATOM 759 C PRO A 49 26.826 -44.984 -5.298 1.00 0.00 C ATOM 760 O PRO A 49 27.690 -45.848 -5.154 1.00 0.00 O ATOM 761 CB PRO A 49 28.559 -43.485 -6.402 1.00 0.00 C ATOM 762 CG PRO A 49 29.543 -42.972 -5.363 1.00 0.00 C ATOM 763 CD PRO A 49 28.741 -42.421 -4.195 1.00 0.00 C ATOM 0 HA PRO A 49 26.414 -43.236 -6.368 1.00 0.00 H new ATOM 0 HB2 PRO A 49 28.860 -44.464 -6.775 1.00 0.00 H new ATOM 0 HB3 PRO A 49 28.515 -42.816 -7.262 1.00 0.00 H new ATOM 0 HG2 PRO A 49 30.200 -43.775 -5.030 1.00 0.00 H new ATOM 0 HG3 PRO A 49 30.179 -42.196 -5.789 1.00 0.00 H new ATOM 0 HD2 PRO A 49 29.027 -42.898 -3.258 1.00 0.00 H new ATOM 0 HD3 PRO A 49 28.906 -41.351 -4.071 1.00 0.00 H new ATOM 771 N ARG A 50 25.528 -45.186 -5.128 1.00 0.00 N ATOM 772 CA ARG A 50 25.016 -46.491 -4.746 1.00 0.00 C ATOM 773 C ARG A 50 25.596 -46.911 -3.393 1.00 0.00 C ATOM 774 O ARG A 50 26.617 -47.594 -3.337 1.00 0.00 O ATOM 775 CB ARG A 50 25.366 -47.548 -5.794 1.00 0.00 C ATOM 776 CG ARG A 50 24.478 -47.408 -7.032 1.00 0.00 C ATOM 777 CD ARG A 50 23.080 -47.972 -6.772 1.00 0.00 C ATOM 778 NE ARG A 50 22.343 -48.106 -8.049 1.00 0.00 N ATOM 779 CZ ARG A 50 22.567 -49.074 -8.947 1.00 0.00 C ATOM 780 NH1 ARG A 50 23.507 -50.000 -8.714 1.00 0.00 N ATOM 781 NH2 ARG A 50 21.849 -49.118 -10.078 1.00 0.00 N ATOM 0 H ARG A 50 24.815 -44.467 -5.248 1.00 0.00 H new ATOM 0 HA ARG A 50 23.931 -46.415 -4.673 1.00 0.00 H new ATOM 0 HB2 ARG A 50 26.413 -47.449 -6.080 1.00 0.00 H new ATOM 0 HB3 ARG A 50 25.245 -48.543 -5.366 1.00 0.00 H new ATOM 0 HG2 ARG A 50 24.403 -46.358 -7.313 1.00 0.00 H new ATOM 0 HG3 ARG A 50 24.934 -47.931 -7.872 1.00 0.00 H new ATOM 0 HD2 ARG A 50 23.156 -48.943 -6.283 1.00 0.00 H new ATOM 0 HD3 ARG A 50 22.534 -47.315 -6.095 1.00 0.00 H new ATOM 0 HE ARG A 50 21.619 -47.418 -8.258 1.00 0.00 H new ATOM 0 HH11 ARG A 50 24.052 -49.968 -7.853 1.00 0.00 H new ATOM 0 HH12 ARG A 50 23.677 -50.737 -9.398 1.00 0.00 H new ATOM 0 HH21 ARG A 50 21.132 -48.414 -10.255 1.00 0.00 H new ATOM 0 HH22 ARG A 50 22.020 -49.855 -10.762 1.00 0.00 H new ATOM 795 N PRO A 51 24.900 -46.476 -2.309 1.00 0.00 N ATOM 796 CA PRO A 51 25.335 -46.800 -0.961 1.00 0.00 C ATOM 797 C PRO A 51 25.021 -48.258 -0.620 1.00 0.00 C ATOM 798 O PRO A 51 25.922 -49.033 -0.299 1.00 0.00 O ATOM 799 CB PRO A 51 24.609 -45.811 -0.065 1.00 0.00 C ATOM 800 CG PRO A 51 23.446 -45.278 -0.888 1.00 0.00 C ATOM 801 CD PRO A 51 23.686 -45.666 -2.338 1.00 0.00 C ATOM 0 HA PRO A 51 26.414 -46.713 -0.835 1.00 0.00 H new ATOM 0 HB2 PRO A 51 24.254 -46.296 0.844 1.00 0.00 H new ATOM 0 HB3 PRO A 51 25.272 -45.003 0.243 1.00 0.00 H new ATOM 0 HG2 PRO A 51 22.504 -45.695 -0.532 1.00 0.00 H new ATOM 0 HG3 PRO A 51 23.373 -44.195 -0.789 1.00 0.00 H new ATOM 0 HD2 PRO A 51 22.844 -46.229 -2.742 1.00 0.00 H new ATOM 0 HD3 PRO A 51 23.812 -44.785 -2.968 1.00 0.00 H new ATOM 809 N GLN A 52 23.740 -48.589 -0.700 1.00 0.00 N ATOM 810 CA GLN A 52 23.296 -49.941 -0.404 1.00 0.00 C ATOM 811 C GLN A 52 23.617 -50.298 1.050 1.00 0.00 C ATOM 812 O GLN A 52 24.466 -51.149 1.310 1.00 0.00 O ATOM 813 CB GLN A 52 23.925 -50.948 -1.367 1.00 0.00 C ATOM 814 CG GLN A 52 22.872 -51.539 -2.306 1.00 0.00 C ATOM 815 CD GLN A 52 23.024 -50.980 -3.723 1.00 0.00 C ATOM 816 OE1 GLN A 52 22.785 -49.813 -3.987 1.00 0.00 O ATOM 817 NE2 GLN A 52 23.434 -51.875 -4.617 1.00 0.00 N ATOM 0 H GLN A 52 22.996 -47.944 -0.966 1.00 0.00 H new ATOM 0 HA GLN A 52 22.215 -49.986 -0.539 1.00 0.00 H new ATOM 0 HB2 GLN A 52 24.705 -50.460 -1.951 1.00 0.00 H new ATOM 0 HB3 GLN A 52 24.403 -51.748 -0.801 1.00 0.00 H new ATOM 0 HG2 GLN A 52 22.967 -52.625 -2.327 1.00 0.00 H new ATOM 0 HG3 GLN A 52 21.875 -51.314 -1.928 1.00 0.00 H new ATOM 0 HE21 GLN A 52 23.616 -52.836 -4.329 1.00 0.00 H new ATOM 0 HE22 GLN A 52 23.566 -51.600 -5.590 1.00 0.00 H new ATOM 826 N THR A 53 22.921 -49.630 1.957 1.00 0.00 N ATOM 827 CA THR A 53 23.121 -49.866 3.377 1.00 0.00 C ATOM 828 C THR A 53 21.881 -49.444 4.168 1.00 0.00 C ATOM 829 O THR A 53 21.869 -48.383 4.790 1.00 0.00 O ATOM 830 CB THR A 53 24.393 -49.131 3.804 1.00 0.00 C ATOM 831 OG1 THR A 53 25.447 -50.007 3.413 1.00 0.00 O ATOM 832 CG2 THR A 53 24.532 -49.036 5.325 1.00 0.00 C ATOM 0 H THR A 53 22.218 -48.925 1.737 1.00 0.00 H new ATOM 0 HA THR A 53 23.256 -50.927 3.586 1.00 0.00 H new ATOM 0 HB THR A 53 24.394 -48.128 3.376 1.00 0.00 H new ATOM 0 HG1 THR A 53 25.088 -50.713 2.835 1.00 0.00 H new ATOM 0 HG21 THR A 53 25.451 -48.506 5.574 1.00 0.00 H new ATOM 0 HG22 THR A 53 23.679 -48.496 5.735 1.00 0.00 H new ATOM 0 HG23 THR A 53 24.565 -50.039 5.751 1.00 0.00 H new ATOM 840 N SER A 54 20.867 -50.295 4.116 1.00 0.00 N ATOM 841 CA SER A 54 19.625 -50.024 4.820 1.00 0.00 C ATOM 842 C SER A 54 18.905 -51.336 5.135 1.00 0.00 C ATOM 843 O SER A 54 18.558 -52.091 4.228 1.00 0.00 O ATOM 844 CB SER A 54 18.718 -49.104 4.001 1.00 0.00 C ATOM 845 OG SER A 54 19.323 -47.835 3.759 1.00 0.00 O ATOM 0 H SER A 54 20.880 -51.173 3.597 1.00 0.00 H new ATOM 0 HA SER A 54 19.865 -49.516 5.754 1.00 0.00 H new ATOM 0 HB2 SER A 54 18.482 -49.581 3.050 1.00 0.00 H new ATOM 0 HB3 SER A 54 17.775 -48.961 4.528 1.00 0.00 H new ATOM 0 HG SER A 54 18.713 -47.277 3.232 1.00 0.00 H new ATOM 851 N LEU A 55 18.701 -51.567 6.424 1.00 0.00 N ATOM 852 CA LEU A 55 18.027 -52.775 6.870 1.00 0.00 C ATOM 853 C LEU A 55 16.669 -52.405 7.469 1.00 0.00 C ATOM 854 O LEU A 55 16.458 -52.547 8.672 1.00 0.00 O ATOM 855 CB LEU A 55 18.925 -53.567 7.823 1.00 0.00 C ATOM 856 CG LEU A 55 19.707 -54.726 7.199 1.00 0.00 C ATOM 857 CD1 LEU A 55 20.966 -54.220 6.493 1.00 0.00 C ATOM 858 CD2 LEU A 55 20.026 -55.796 8.245 1.00 0.00 C ATOM 0 H LEU A 55 18.990 -50.938 7.173 1.00 0.00 H new ATOM 0 HA LEU A 55 17.833 -53.437 6.026 1.00 0.00 H new ATOM 0 HB2 LEU A 55 19.636 -52.878 8.278 1.00 0.00 H new ATOM 0 HB3 LEU A 55 18.307 -53.964 8.628 1.00 0.00 H new ATOM 0 HG LEU A 55 19.080 -55.194 6.440 1.00 0.00 H new ATOM 0 HD11 LEU A 55 21.503 -55.063 6.058 1.00 0.00 H new ATOM 0 HD12 LEU A 55 20.685 -53.523 5.704 1.00 0.00 H new ATOM 0 HD13 LEU A 55 21.608 -53.713 7.213 1.00 0.00 H new ATOM 0 HD21 LEU A 55 20.582 -56.608 7.777 1.00 0.00 H new ATOM 0 HD22 LEU A 55 20.626 -55.358 9.042 1.00 0.00 H new ATOM 0 HD23 LEU A 55 19.097 -56.185 8.662 1.00 0.00 H new ATOM 870 N LEU A 56 15.782 -51.939 6.601 1.00 0.00 N ATOM 871 CA LEU A 56 14.450 -51.548 7.029 1.00 0.00 C ATOM 872 C LEU A 56 13.420 -52.484 6.395 1.00 0.00 C ATOM 873 O LEU A 56 13.742 -53.237 5.476 1.00 0.00 O ATOM 874 CB LEU A 56 14.204 -50.068 6.729 1.00 0.00 C ATOM 875 CG LEU A 56 13.188 -49.361 7.629 1.00 0.00 C ATOM 876 CD1 LEU A 56 13.553 -47.888 7.815 1.00 0.00 C ATOM 877 CD2 LEU A 56 11.766 -49.537 7.094 1.00 0.00 C ATOM 0 H LEU A 56 15.960 -51.824 5.603 1.00 0.00 H new ATOM 0 HA LEU A 56 14.351 -51.651 8.110 1.00 0.00 H new ATOM 0 HB2 LEU A 56 15.155 -49.540 6.803 1.00 0.00 H new ATOM 0 HB3 LEU A 56 13.869 -49.978 5.696 1.00 0.00 H new ATOM 0 HG LEU A 56 13.221 -49.827 8.614 1.00 0.00 H new ATOM 0 HD11 LEU A 56 12.815 -47.409 8.458 1.00 0.00 H new ATOM 0 HD12 LEU A 56 14.539 -47.813 8.274 1.00 0.00 H new ATOM 0 HD13 LEU A 56 13.566 -47.391 6.845 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.064 -49.025 7.752 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.699 -49.113 6.092 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.520 -50.598 7.056 1.00 0.00 H new TER 889 LEU A 56 ATOM 890 P A B 493 21.243 -31.813 -4.024 1.00 0.00 P ATOM 891 OP1 A B 493 20.097 -31.998 -4.943 1.00 0.00 O ATOM 892 OP2 A B 493 22.001 -33.021 -3.626 1.00 0.00 O ATOM 893 O5' A B 493 22.266 -30.791 -4.708 1.00 0.00 O ATOM 894 C5' A B 493 22.002 -29.390 -4.676 1.00 0.00 C ATOM 895 C4' A B 493 22.934 -28.708 -3.701 1.00 0.00 C ATOM 896 O4' A B 493 23.110 -29.648 -2.625 1.00 0.00 O ATOM 897 C3' A B 493 24.389 -28.648 -4.156 1.00 0.00 C ATOM 898 O3' A B 493 24.626 -27.411 -4.826 1.00 0.00 O ATOM 899 C2' A B 493 25.204 -28.758 -2.896 1.00 0.00 C ATOM 900 O2' A B 493 25.116 -27.460 -2.355 1.00 0.00 O ATOM 901 C1' A B 493 24.423 -29.835 -2.148 1.00 0.00 C ATOM 902 N9 A B 493 24.900 -31.207 -2.422 1.00 0.00 N ATOM 903 C8 A B 493 24.809 -31.890 -3.582 1.00 0.00 C ATOM 904 N7 A B 493 25.336 -33.108 -3.502 1.00 0.00 N ATOM 905 C5 A B 493 25.785 -33.189 -2.212 1.00 0.00 C ATOM 906 C6 A B 493 26.436 -34.226 -1.512 1.00 0.00 C ATOM 907 N6 A B 493 26.761 -35.431 -2.049 1.00 0.00 N ATOM 908 N1 A B 493 26.761 -33.996 -0.210 1.00 0.00 N ATOM 909 C2 A B 493 26.441 -32.800 0.332 1.00 0.00 C ATOM 910 N3 A B 493 25.825 -31.746 -0.236 1.00 0.00 N ATOM 911 C4 A B 493 25.529 -32.040 -1.533 1.00 0.00 C ATOM 0 H5' A B 493 20.966 -29.214 -4.385 1.00 0.00 H new ATOM 0 H5'' A B 493 22.130 -28.965 -5.672 1.00 0.00 H new ATOM 0 H4' A B 493 22.508 -27.721 -3.519 1.00 0.00 H new ATOM 0 H3' A B 493 24.648 -29.442 -4.857 1.00 0.00 H new ATOM 0 H2' A B 493 26.259 -29.031 -2.931 1.00 0.00 H new ATOM 0 HO2' A B 493 25.011 -26.810 -3.081 1.00 0.00 H new ATOM 0 H1' A B 493 24.527 -29.739 -1.067 1.00 0.00 H new ATOM 0 H8 A B 493 24.357 -31.491 -4.478 1.00 0.00 H new ATOM 0 H61 A B 493 27.233 -36.133 -1.479 1.00 0.00 H new ATOM 0 H62 A B 493 26.533 -35.634 -3.022 1.00 0.00 H new ATOM 0 H2 A B 493 26.719 -32.671 1.368 1.00 0.00 H new ATOM 923 P A B 494 24.148 -27.217 -6.339 1.00 0.00 P ATOM 924 OP1 A B 494 25.073 -26.298 -7.040 1.00 0.00 O ATOM 925 OP2 A B 494 22.705 -26.886 -6.367 1.00 0.00 O ATOM 926 O5' A B 494 24.332 -28.677 -6.966 1.00 0.00 O ATOM 927 C5' A B 494 24.888 -28.828 -8.270 1.00 0.00 C ATOM 928 C4' A B 494 26.133 -29.684 -8.208 1.00 0.00 C ATOM 929 O4' A B 494 26.843 -29.181 -7.065 1.00 0.00 O ATOM 930 C3' A B 494 25.937 -31.035 -7.525 1.00 0.00 C ATOM 931 O3' A B 494 25.438 -31.977 -8.472 1.00 0.00 O ATOM 932 C2' A B 494 27.299 -31.426 -7.021 1.00 0.00 C ATOM 933 O2' A B 494 27.862 -32.086 -8.132 1.00 0.00 O ATOM 934 C1' A B 494 27.890 -30.055 -6.705 1.00 0.00 C ATOM 935 N9 A B 494 28.261 -29.888 -5.284 1.00 0.00 N ATOM 936 C8 A B 494 27.732 -30.523 -4.218 1.00 0.00 C ATOM 937 N7 A B 494 28.287 -30.149 -3.070 1.00 0.00 N ATOM 938 C5 A B 494 29.221 -29.220 -3.444 1.00 0.00 C ATOM 939 C6 A B 494 30.135 -28.456 -2.687 1.00 0.00 C ATOM 940 N6 A B 494 30.254 -28.517 -1.337 1.00 0.00 N ATOM 941 N1 A B 494 30.949 -27.602 -3.365 1.00 0.00 N ATOM 942 C2 A B 494 30.837 -27.535 -4.711 1.00 0.00 C ATOM 943 N3 A B 494 30.008 -28.211 -5.528 1.00 0.00 N ATOM 944 C4 A B 494 29.223 -29.045 -4.792 1.00 0.00 C ATOM 0 H5' A B 494 25.130 -27.850 -8.686 1.00 0.00 H new ATOM 0 H5'' A B 494 24.156 -29.285 -8.935 1.00 0.00 H new ATOM 0 H4' A B 494 26.521 -29.710 -9.226 1.00 0.00 H new ATOM 0 H3' A B 494 25.217 -30.998 -6.708 1.00 0.00 H new ATOM 0 H2' A B 494 27.411 -32.078 -6.155 1.00 0.00 H new ATOM 0 HO2' A B 494 28.619 -32.635 -7.838 1.00 0.00 H new ATOM 0 H1' A B 494 28.825 -29.878 -7.236 1.00 0.00 H new ATOM 0 H8 A B 494 26.942 -31.256 -4.290 1.00 0.00 H new ATOM 0 H61 A B 494 30.940 -27.933 -0.859 1.00 0.00 H new ATOM 0 H62 A B 494 29.658 -29.147 -0.800 1.00 0.00 H new ATOM 0 H2 A B 494 31.507 -26.842 -5.199 1.00 0.00 H new ATOM 956 P C B 495 25.191 -33.497 -8.033 1.00 0.00 P ATOM 957 OP1 C B 495 23.750 -33.816 -8.130 1.00 0.00 O ATOM 958 OP2 C B 495 25.863 -33.758 -6.741 1.00 0.00 O ATOM 959 O5' C B 495 25.959 -34.326 -9.166 1.00 0.00 O ATOM 960 C5' C B 495 26.437 -33.664 -10.335 1.00 0.00 C ATOM 961 C4' C B 495 27.513 -34.492 -10.999 1.00 0.00 C ATOM 962 O4' C B 495 28.539 -34.830 -10.050 1.00 0.00 O ATOM 963 C3' C B 495 27.091 -35.920 -11.336 1.00 0.00 C ATOM 964 O3' C B 495 26.464 -35.939 -12.617 1.00 0.00 O ATOM 965 C2' C B 495 28.363 -36.721 -11.333 1.00 0.00 C ATOM 966 O2' C B 495 28.942 -36.389 -12.575 1.00 0.00 O ATOM 967 C1' C B 495 29.063 -36.138 -10.108 1.00 0.00 C ATOM 968 N1 C B 495 28.784 -36.881 -8.861 1.00 0.00 N ATOM 969 C2 C B 495 29.355 -38.145 -8.717 1.00 0.00 C ATOM 970 O2 C B 495 30.063 -38.581 -9.631 1.00 0.00 O ATOM 971 N3 C B 495 29.116 -38.839 -7.591 1.00 0.00 N ATOM 972 C4 C B 495 28.359 -38.358 -6.626 1.00 0.00 C ATOM 973 N4 C B 495 28.135 -39.060 -5.522 1.00 0.00 N ATOM 974 C5 C B 495 27.755 -37.052 -6.750 1.00 0.00 C ATOM 975 C6 C B 495 28.002 -36.371 -7.878 1.00 0.00 C ATOM 0 H5' C B 495 26.833 -32.684 -10.071 1.00 0.00 H new ATOM 0 H5'' C B 495 25.614 -33.498 -11.030 1.00 0.00 H new ATOM 0 H4' C B 495 27.783 -33.881 -11.861 1.00 0.00 H new ATOM 0 H3' C B 495 26.373 -36.329 -10.626 1.00 0.00 H new ATOM 0 H2' C B 495 28.341 -37.808 -11.257 1.00 0.00 H new ATOM 0 HO2' C B 495 28.266 -36.461 -13.281 1.00 0.00 H new ATOM 0 H1' C B 495 30.149 -36.184 -10.196 1.00 0.00 H new ATOM 0 H41 C B 495 27.547 -38.675 -4.783 1.00 0.00 H new ATOM 0 H42 C B 495 28.551 -39.985 -5.412 1.00 0.00 H new ATOM 0 H5 C B 495 27.132 -36.642 -5.969 1.00 0.00 H new ATOM 0 H6 C B 495 27.567 -35.391 -8.007 1.00 0.00 H new ATOM 987 P A B 496 24.874 -36.084 -12.726 1.00 0.00 P ATOM 988 OP1 A B 496 24.273 -36.007 -11.376 1.00 0.00 O ATOM 989 OP2 A B 496 24.536 -37.259 -13.559 1.00 0.00 O ATOM 990 O5' A B 496 24.449 -34.768 -13.532 1.00 0.00 O ATOM 991 C5' A B 496 23.629 -34.879 -14.695 1.00 0.00 C ATOM 992 C4' A B 496 24.376 -34.366 -15.906 1.00 0.00 C ATOM 993 O4' A B 496 24.619 -32.990 -15.605 1.00 0.00 O ATOM 994 C3' A B 496 25.841 -34.788 -15.969 1.00 0.00 C ATOM 995 O3' A B 496 25.956 -35.992 -16.724 1.00 0.00 O ATOM 996 C2' A B 496 26.555 -33.647 -16.637 1.00 0.00 C ATOM 997 O2' A B 496 26.246 -33.844 -17.999 1.00 0.00 O ATOM 998 C1' A B 496 25.870 -32.455 -15.974 1.00 0.00 C ATOM 999 N9 A B 496 26.598 -31.937 -14.797 1.00 0.00 N ATOM 1000 C8 A B 496 26.971 -32.625 -13.697 1.00 0.00 C ATOM 1001 N7 A B 496 27.614 -31.866 -12.814 1.00 0.00 N ATOM 1002 C5 A B 496 27.643 -30.630 -13.400 1.00 0.00 C ATOM 1003 C6 A B 496 28.183 -29.401 -12.964 1.00 0.00 C ATOM 1004 N6 A B 496 28.825 -29.220 -11.782 1.00 0.00 N ATOM 1005 N1 A B 496 28.047 -28.330 -13.792 1.00 0.00 N ATOM 1006 C2 A B 496 27.409 -28.502 -14.971 1.00 0.00 C ATOM 1007 N3 A B 496 26.860 -29.618 -15.484 1.00 0.00 N ATOM 1008 C4 A B 496 27.028 -30.650 -14.611 1.00 0.00 C ATOM 0 H5' A B 496 22.709 -34.310 -14.557 1.00 0.00 H new ATOM 0 H5'' A B 496 23.341 -35.919 -14.849 1.00 0.00 H new ATOM 0 H4' A B 496 23.803 -34.678 -16.779 1.00 0.00 H new ATOM 0 H3' A B 496 26.267 -34.990 -14.986 1.00 0.00 H new ATOM 0 H2' A B 496 27.636 -33.535 -16.555 1.00 0.00 H new ATOM 0 HO2' A B 496 26.159 -34.803 -18.179 1.00 0.00 H new ATOM 0 H1' A B 496 25.812 -31.593 -16.638 1.00 0.00 H new ATOM 0 H8 A B 496 26.770 -33.676 -13.550 1.00 0.00 H new ATOM 0 H61 A B 496 29.189 -28.300 -11.535 1.00 0.00 H new ATOM 0 H62 A B 496 28.943 -30.004 -11.141 1.00 0.00 H new ATOM 0 H2 A B 496 27.329 -27.619 -15.588 1.00 0.00 H new ATOM 1020 P G B 497 26.797 -37.224 -16.143 1.00 0.00 P ATOM 1021 OP1 G B 497 25.922 -38.411 -16.021 1.00 0.00 O ATOM 1022 OP2 G B 497 27.539 -36.795 -14.937 1.00 0.00 O ATOM 1023 O5' G B 497 27.861 -37.511 -17.303 1.00 0.00 O ATOM 1024 C5' G B 497 27.445 -37.513 -18.668 1.00 0.00 C ATOM 1025 C4' G B 497 28.633 -37.278 -19.573 1.00 0.00 C ATOM 1026 O4' G B 497 29.189 -36.042 -19.087 1.00 0.00 O ATOM 1027 C3' G B 497 29.839 -38.165 -19.274 1.00 0.00 C ATOM 1028 O3' G B 497 29.806 -39.311 -20.122 1.00 0.00 O ATOM 1029 C2' G B 497 31.042 -37.306 -19.553 1.00 0.00 C ATOM 1030 O2' G B 497 31.122 -37.335 -20.961 1.00 0.00 O ATOM 1031 C1' G B 497 30.591 -35.980 -18.949 1.00 0.00 C ATOM 1032 N9 G B 497 30.982 -35.814 -17.533 1.00 0.00 N ATOM 1033 C8 G B 497 30.589 -36.563 -16.482 1.00 0.00 C ATOM 1034 N7 G B 497 31.120 -36.154 -15.335 1.00 0.00 N ATOM 1035 C5 G B 497 31.894 -35.084 -15.694 1.00 0.00 C ATOM 1036 C6 G B 497 32.710 -34.222 -14.930 1.00 0.00 C ATOM 1037 O6 G B 497 32.879 -34.293 -13.714 1.00 0.00 O ATOM 1038 N1 G B 497 33.366 -33.230 -15.592 1.00 0.00 N ATOM 1039 C2 G B 497 33.199 -33.129 -16.930 1.00 0.00 C ATOM 1040 N2 G B 497 33.902 -32.114 -17.428 1.00 0.00 N ATOM 1041 N3 G B 497 32.451 -33.888 -17.753 1.00 0.00 N ATOM 1042 C4 G B 497 31.824 -34.857 -17.031 1.00 0.00 C ATOM 0 H5' G B 497 26.696 -36.738 -18.829 1.00 0.00 H new ATOM 0 H5'' G B 497 26.975 -38.466 -18.912 1.00 0.00 H new ATOM 0 H4' G B 497 28.280 -37.388 -20.598 1.00 0.00 H new ATOM 0 H3' G B 497 29.853 -38.531 -18.248 1.00 0.00 H new ATOM 0 H2' G B 497 32.024 -37.569 -19.159 1.00 0.00 H new ATOM 0 HO2' G B 497 30.789 -38.196 -21.290 1.00 0.00 H new ATOM 0 H1' G B 497 31.054 -35.126 -19.444 1.00 0.00 H new ATOM 0 H8 G B 497 29.916 -37.404 -16.564 1.00 0.00 H new ATOM 0 H1 G B 497 33.969 -32.578 -15.091 1.00 0.00 H new ATOM 0 H21 G B 497 33.873 -31.916 -18.428 1.00 0.00 H new ATOM 0 H22 G B 497 34.469 -31.535 -16.809 1.00 0.00 H new ATOM 1054 P U B 498 28.658 -40.410 -19.935 1.00 0.00 P ATOM 1055 OP1 U B 498 27.590 -40.191 -20.935 1.00 0.00 O ATOM 1056 OP2 U B 498 28.257 -40.476 -18.511 1.00 0.00 O ATOM 1057 O5' U B 498 29.406 -41.777 -20.301 1.00 0.00 O ATOM 1058 C5' U B 498 29.133 -42.961 -19.555 1.00 0.00 C ATOM 1059 C4' U B 498 29.782 -44.154 -20.219 1.00 0.00 C ATOM 1060 O4' U B 498 30.234 -43.773 -21.532 1.00 0.00 O ATOM 1061 C3' U B 498 31.126 -44.557 -19.617 1.00 0.00 C ATOM 1062 O3' U B 498 30.911 -45.539 -18.592 1.00 0.00 O ATOM 1063 C2' U B 498 31.920 -45.118 -20.764 1.00 0.00 C ATOM 1064 O2' U B 498 31.390 -46.417 -20.903 1.00 0.00 O ATOM 1065 C1' U B 498 31.553 -44.137 -21.872 1.00 0.00 C ATOM 1066 N1 U B 498 32.436 -42.954 -21.930 1.00 0.00 N ATOM 1067 C2 U B 498 33.349 -42.931 -22.938 1.00 0.00 C ATOM 1068 O2 U B 498 33.463 -43.818 -23.769 1.00 0.00 O ATOM 1069 N3 U B 498 34.174 -41.830 -22.993 1.00 0.00 N ATOM 1070 C4 U B 498 34.111 -40.789 -22.100 1.00 0.00 C ATOM 1071 O4 U B 498 34.898 -39.855 -22.247 1.00 0.00 O ATOM 1072 C5 U B 498 33.140 -40.864 -21.067 1.00 0.00 C ATOM 1073 C6 U B 498 32.352 -41.940 -21.033 1.00 0.00 C ATOM 0 H5' U B 498 28.056 -43.115 -19.484 1.00 0.00 H new ATOM 0 H5'' U B 498 29.507 -42.853 -18.537 1.00 0.00 H new ATOM 0 H4' U B 498 29.026 -44.935 -20.142 1.00 0.00 H new ATOM 0 H3' U B 498 31.653 -43.724 -19.152 1.00 0.00 H new ATOM 0 H2' U B 498 33.005 -45.208 -20.705 1.00 0.00 H new ATOM 0 HO2' U B 498 30.901 -46.659 -20.089 1.00 0.00 H new ATOM 0 HO3' U B 498 31.772 -45.801 -18.204 1.00 0.00 H new ATOM 0 H1' U B 498 31.657 -44.580 -22.862 1.00 0.00 H new ATOM 0 H3 U B 498 34.870 -41.785 -23.738 1.00 0.00 H new ATOM 0 H5 U B 498 33.043 -40.077 -20.334 1.00 0.00 H new ATOM 0 H6 U B 498 31.610 -42.007 -20.252 1.00 0.00 H new TER 1084 U B 498 HETATM 1085 ZN ZN A 57 36.364 -32.178 -8.484 1.00 0.00 ZN