USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 516 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 34 HIS HE2 : A 34 HIS NE2 : A 57 ZNZN :(H bumps) USER MOD Set 1.1: A 37 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0686) USER MOD Set 1.2: B 519 U O2' : rot -17:sc= 0.435 USER MOD Set 2.1: A 25 GLN : amide:sc= -3.53! C(o=-4.7!,f=-2!) USER MOD Set 2.2: A 32 LYS NZ :NH3+ 146:sc= -1.19 (180deg=-0.0525) USER MOD Single : A 1 ALA N :NH3+ -126:sc= 0.117 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.583 USER MOD Single : A 5 SER OG : rot 18:sc= 0.22 USER MOD Single : A 7 GLN : amide:sc= -0.1 K(o=-0.1,f=-1.9!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.0309 X(o=-0.031,f=-0.2) USER MOD Single : A 12 GLN : amide:sc= -1.01 K(o=-1,f=-2.7!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot -136:sc= 0.94 USER MOD Single : A 30 LYS NZ :NH3+ 149:sc= -0.118 (180deg=-0.816) USER MOD Single : A 41 LYS NZ :NH3+ 142:sc= 0.323 (180deg=-2.28!) USER MOD Single : A 42 LYS NZ :NH3+ -148:sc= 0.561 (180deg=0.203) USER MOD Single : A 52 GLN : amide:sc= -0.0184 X(o=-0.018,f=0) 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 -21:sc= 0.429 USER MOD Single : B 518 U O2' : rot -21:sc= -0.782 USER MOD Single : B 520 U O2' : rot -6:sc= 0.414 USER MOD Single : B 521 G O2' : rot -22:sc= 0.766 USER MOD Single : B 522 C O2' : rot -21:sc= 0.477 USER MOD Single : B 523 U O2' : rot -27:sc= 0.489 USER MOD Single : B 523 U O3' : rot 180:sc= 0.38 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -4.329 -9.883 -67.694 1.00 0.00 N ATOM 2 CA ALA A 1 -5.238 -8.877 -67.173 1.00 0.00 C ATOM 3 C ALA A 1 -4.440 -7.830 -66.393 1.00 0.00 C ATOM 4 O ALA A 1 -3.227 -7.715 -66.562 1.00 0.00 O ATOM 5 CB ALA A 1 -6.309 -9.551 -66.314 1.00 0.00 C ATOM 0 H1 ALA A 1 -4.466 -9.976 -68.721 1.00 0.00 H new ATOM 0 H2 ALA A 1 -3.348 -9.598 -67.500 1.00 0.00 H new ATOM 0 H3 ALA A 1 -4.522 -10.796 -67.235 1.00 0.00 H new ATOM 0 HA ALA A 1 -5.749 -8.364 -67.988 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -6.991 -8.796 -65.923 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -6.867 -10.264 -66.921 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -5.834 -10.075 -65.484 1.00 0.00 H new ATOM 11 N THR A 2 -5.153 -7.092 -65.554 1.00 0.00 N ATOM 12 CA THR A 2 -4.526 -6.057 -64.748 1.00 0.00 C ATOM 13 C THR A 2 -4.996 -6.157 -63.296 1.00 0.00 C ATOM 14 O THR A 2 -4.178 -6.240 -62.380 1.00 0.00 O ATOM 15 CB THR A 2 -4.831 -4.705 -65.394 1.00 0.00 C ATOM 16 OG1 THR A 2 -6.212 -4.489 -65.114 1.00 0.00 O ATOM 17 CG2 THR A 2 -4.764 -4.757 -66.921 1.00 0.00 C ATOM 0 H THR A 2 -6.159 -7.190 -65.415 1.00 0.00 H new ATOM 0 HA THR A 2 -3.443 -6.180 -64.716 1.00 0.00 H new ATOM 0 HB THR A 2 -4.126 -3.960 -65.025 1.00 0.00 H new ATOM 0 HG1 THR A 2 -6.493 -3.632 -65.496 1.00 0.00 H new ATOM 0 HG21 THR A 2 -4.989 -3.771 -67.329 1.00 0.00 H new ATOM 0 HG22 THR A 2 -3.764 -5.059 -67.231 1.00 0.00 H new ATOM 0 HG23 THR A 2 -5.492 -5.478 -67.293 1.00 0.00 H new ATOM 25 N VAL A 3 -6.310 -6.147 -63.130 1.00 0.00 N ATOM 26 CA VAL A 3 -6.898 -6.234 -61.804 1.00 0.00 C ATOM 27 C VAL A 3 -6.471 -5.018 -60.980 1.00 0.00 C ATOM 28 O VAL A 3 -5.295 -4.657 -60.963 1.00 0.00 O ATOM 29 CB VAL A 3 -6.517 -7.563 -61.149 1.00 0.00 C ATOM 30 CG1 VAL A 3 -7.042 -7.638 -59.714 1.00 0.00 C ATOM 31 CG2 VAL A 3 -7.017 -8.747 -61.979 1.00 0.00 C ATOM 0 H VAL A 3 -6.985 -6.080 -63.892 1.00 0.00 H new ATOM 0 HA VAL A 3 -7.986 -6.218 -61.867 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.429 -7.617 -61.110 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.757 -8.593 -59.272 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.615 -6.825 -59.127 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -8.128 -7.550 -59.719 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.733 -9.679 -61.491 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -8.103 -8.699 -62.065 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.572 -8.708 -62.973 1.00 0.00 H new ATOM 41 N VAL A 4 -7.450 -4.419 -60.317 1.00 0.00 N ATOM 42 CA VAL A 4 -7.190 -3.251 -59.493 1.00 0.00 C ATOM 43 C VAL A 4 -8.065 -3.312 -58.239 1.00 0.00 C ATOM 44 O VAL A 4 -9.195 -3.796 -58.289 1.00 0.00 O ATOM 45 CB VAL A 4 -7.406 -1.975 -60.311 1.00 0.00 C ATOM 46 CG1 VAL A 4 -8.894 -1.742 -60.580 1.00 0.00 C ATOM 47 CG2 VAL A 4 -6.778 -0.765 -59.615 1.00 0.00 C ATOM 0 H VAL A 4 -8.424 -4.721 -60.334 1.00 0.00 H new ATOM 0 HA VAL A 4 -6.151 -3.239 -59.164 1.00 0.00 H new ATOM 0 HB VAL A 4 -6.908 -2.104 -61.272 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.020 -0.829 -61.163 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.300 -2.587 -61.137 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.424 -1.644 -59.633 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -6.946 0.128 -60.217 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -7.234 -0.632 -58.634 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -5.707 -0.928 -59.498 1.00 0.00 H new ATOM 57 N SER A 5 -7.510 -2.814 -57.144 1.00 0.00 N ATOM 58 CA SER A 5 -8.225 -2.806 -55.879 1.00 0.00 C ATOM 59 C SER A 5 -7.507 -1.898 -54.878 1.00 0.00 C ATOM 60 O SER A 5 -6.315 -2.065 -54.628 1.00 0.00 O ATOM 61 CB SER A 5 -8.358 -4.221 -55.313 1.00 0.00 C ATOM 62 OG SER A 5 -7.119 -4.712 -54.809 1.00 0.00 O ATOM 0 H SER A 5 -6.573 -2.413 -57.107 1.00 0.00 H new ATOM 0 HA SER A 5 -9.229 -2.419 -56.055 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.101 -4.224 -54.515 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.724 -4.890 -56.092 1.00 0.00 H new ATOM 0 HG SER A 5 -6.505 -3.962 -54.662 1.00 0.00 H new ATOM 68 N GLY A 6 -8.265 -0.958 -54.332 1.00 0.00 N ATOM 69 CA GLY A 6 -7.715 -0.024 -53.364 1.00 0.00 C ATOM 70 C GLY A 6 -8.823 0.817 -52.725 1.00 0.00 C ATOM 71 O GLY A 6 -9.931 0.896 -53.253 1.00 0.00 O ATOM 0 H GLY A 6 -9.254 -0.823 -54.541 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -7.176 -0.571 -52.590 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -6.993 0.630 -53.853 1.00 0.00 H new ATOM 75 N GLN A 7 -8.484 1.425 -51.598 1.00 0.00 N ATOM 76 CA GLN A 7 -9.436 2.257 -50.881 1.00 0.00 C ATOM 77 C GLN A 7 -8.737 3.004 -49.743 1.00 0.00 C ATOM 78 O GLN A 7 -8.313 2.392 -48.763 1.00 0.00 O ATOM 79 CB GLN A 7 -10.605 1.423 -50.353 1.00 0.00 C ATOM 80 CG GLN A 7 -11.890 1.731 -51.124 1.00 0.00 C ATOM 81 CD GLN A 7 -13.124 1.308 -50.325 1.00 0.00 C ATOM 82 OE1 GLN A 7 -13.057 1.006 -49.144 1.00 0.00 O ATOM 83 NE2 GLN A 7 -14.251 1.301 -51.032 1.00 0.00 N ATOM 0 H GLN A 7 -7.564 1.358 -51.163 1.00 0.00 H new ATOM 0 HA GLN A 7 -9.842 2.992 -51.576 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -10.369 0.363 -50.441 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -10.754 1.629 -49.293 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -11.941 2.798 -51.341 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -11.877 1.211 -52.082 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -14.237 1.565 -52.017 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -15.129 1.032 -50.589 1.00 0.00 H new ATOM 92 N LYS A 8 -8.637 4.314 -49.911 1.00 0.00 N ATOM 93 CA LYS A 8 -7.997 5.150 -48.910 1.00 0.00 C ATOM 94 C LYS A 8 -8.914 6.328 -48.573 1.00 0.00 C ATOM 95 O LYS A 8 -9.091 7.234 -49.386 1.00 0.00 O ATOM 96 CB LYS A 8 -6.602 5.570 -49.376 1.00 0.00 C ATOM 97 CG LYS A 8 -5.517 4.780 -48.642 1.00 0.00 C ATOM 98 CD LYS A 8 -5.058 3.578 -49.471 1.00 0.00 C ATOM 99 CE LYS A 8 -3.532 3.515 -49.547 1.00 0.00 C ATOM 100 NZ LYS A 8 -3.026 4.446 -50.580 1.00 0.00 N ATOM 0 H LYS A 8 -8.989 4.817 -50.726 1.00 0.00 H new ATOM 0 HA LYS A 8 -7.845 4.591 -47.987 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.510 5.409 -50.450 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -6.462 6.637 -49.200 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.667 5.430 -48.435 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.899 4.438 -47.680 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.442 2.659 -49.029 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.473 3.645 -50.477 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.103 3.770 -48.578 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.215 2.498 -49.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.988 4.391 -50.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.421 4.185 -51.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.312 5.417 -50.342 1.00 0.00 H new ATOM 114 N GLN A 9 -9.472 6.277 -47.372 1.00 0.00 N ATOM 115 CA GLN A 9 -10.366 7.329 -46.917 1.00 0.00 C ATOM 116 C GLN A 9 -9.994 7.766 -45.500 1.00 0.00 C ATOM 117 O GLN A 9 -9.214 7.096 -44.825 1.00 0.00 O ATOM 118 CB GLN A 9 -11.826 6.876 -46.986 1.00 0.00 C ATOM 119 CG GLN A 9 -12.391 7.056 -48.397 1.00 0.00 C ATOM 120 CD GLN A 9 -12.940 5.735 -48.940 1.00 0.00 C ATOM 121 OE1 GLN A 9 -13.613 4.983 -48.255 1.00 0.00 O ATOM 122 NE2 GLN A 9 -12.615 5.495 -50.208 1.00 0.00 N ATOM 0 H GLN A 9 -9.322 5.524 -46.700 1.00 0.00 H new ATOM 0 HA GLN A 9 -10.254 8.186 -47.581 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -11.900 5.829 -46.692 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -12.422 7.449 -46.276 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -13.183 7.805 -48.383 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -11.611 7.430 -49.060 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -12.048 6.167 -50.725 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -12.933 4.639 -50.663 1.00 0.00 H new ATOM 131 N ASP A 10 -10.569 8.888 -45.090 1.00 0.00 N ATOM 132 CA ASP A 10 -10.307 9.422 -43.766 1.00 0.00 C ATOM 133 C ASP A 10 -11.269 10.579 -43.488 1.00 0.00 C ATOM 134 O ASP A 10 -11.019 11.712 -43.897 1.00 0.00 O ATOM 135 CB ASP A 10 -8.879 9.960 -43.660 1.00 0.00 C ATOM 136 CG ASP A 10 -8.540 11.090 -44.636 1.00 0.00 C ATOM 137 OD1 ASP A 10 -8.698 10.854 -45.853 1.00 0.00 O ATOM 138 OD2 ASP A 10 -8.130 12.162 -44.142 1.00 0.00 O ATOM 0 H ASP A 10 -11.215 9.441 -45.653 1.00 0.00 H new ATOM 0 HA ASP A 10 -10.443 8.616 -43.045 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -8.716 10.317 -42.643 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.183 9.137 -43.824 1.00 0.00 H new ATOM 143 N ARG A 11 -12.350 10.254 -42.793 1.00 0.00 N ATOM 144 CA ARG A 11 -13.351 11.252 -42.456 1.00 0.00 C ATOM 145 C ARG A 11 -13.304 11.565 -40.959 1.00 0.00 C ATOM 146 O ARG A 11 -13.823 10.803 -40.145 1.00 0.00 O ATOM 147 CB ARG A 11 -14.755 10.770 -42.825 1.00 0.00 C ATOM 148 CG ARG A 11 -15.577 11.900 -43.450 1.00 0.00 C ATOM 149 CD ARG A 11 -17.013 11.891 -42.923 1.00 0.00 C ATOM 150 NE ARG A 11 -17.928 12.460 -43.936 1.00 0.00 N ATOM 151 CZ ARG A 11 -19.249 12.242 -43.963 1.00 0.00 C ATOM 152 NH1 ARG A 11 -19.819 11.465 -43.032 1.00 0.00 N ATOM 153 NH2 ARG A 11 -20.002 12.800 -44.921 1.00 0.00 N ATOM 0 H ARG A 11 -12.554 9.314 -42.454 1.00 0.00 H new ATOM 0 HA ARG A 11 -13.127 12.153 -43.027 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -14.685 9.937 -43.524 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -15.261 10.397 -41.934 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -15.110 12.860 -43.227 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -15.583 11.793 -44.535 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -17.314 10.872 -42.681 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -17.074 12.469 -42.001 1.00 0.00 H new ATOM 0 HE ARG A 11 -17.527 13.056 -44.660 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -19.247 11.040 -42.303 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -20.825 11.299 -43.053 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -19.569 13.391 -45.630 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -21.008 12.633 -44.941 1.00 0.00 H new ATOM 167 N GLN A 12 -12.677 12.689 -40.643 1.00 0.00 N ATOM 168 CA GLN A 12 -12.556 13.113 -39.258 1.00 0.00 C ATOM 169 C GLN A 12 -13.063 14.548 -39.096 1.00 0.00 C ATOM 170 O GLN A 12 -12.614 15.451 -39.799 1.00 0.00 O ATOM 171 CB GLN A 12 -11.112 12.983 -38.769 1.00 0.00 C ATOM 172 CG GLN A 12 -10.872 11.616 -38.126 1.00 0.00 C ATOM 173 CD GLN A 12 -11.810 11.397 -36.937 1.00 0.00 C ATOM 174 OE1 GLN A 12 -12.473 12.305 -36.460 1.00 0.00 O ATOM 175 NE2 GLN A 12 -11.830 10.147 -36.485 1.00 0.00 N ATOM 0 H GLN A 12 -12.248 13.318 -41.321 1.00 0.00 H new ATOM 0 HA GLN A 12 -13.173 12.459 -38.643 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -10.427 13.121 -39.606 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -10.896 13.771 -38.048 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -11.027 10.830 -38.865 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -9.836 11.543 -37.795 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.251 9.435 -36.929 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -12.425 9.900 -35.694 1.00 0.00 H new ATOM 184 N GLY A 13 -13.991 14.711 -38.165 1.00 0.00 N ATOM 185 CA GLY A 13 -14.564 16.021 -37.901 1.00 0.00 C ATOM 186 C GLY A 13 -13.468 17.075 -37.731 1.00 0.00 C ATOM 187 O GLY A 13 -13.382 18.019 -38.516 1.00 0.00 O ATOM 0 H GLY A 13 -14.361 13.959 -37.584 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -15.223 16.306 -38.721 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -15.176 15.979 -37.000 1.00 0.00 H new ATOM 191 N GLY A 14 -12.655 16.878 -36.703 1.00 0.00 N ATOM 192 CA GLY A 14 -11.568 17.800 -36.421 1.00 0.00 C ATOM 193 C GLY A 14 -10.811 17.383 -35.158 1.00 0.00 C ATOM 194 O GLY A 14 -9.692 16.879 -35.240 1.00 0.00 O ATOM 0 H GLY A 14 -12.728 16.093 -36.055 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.882 17.829 -37.268 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.964 18.808 -36.296 1.00 0.00 H new ATOM 198 N GLU A 15 -11.451 17.610 -34.021 1.00 0.00 N ATOM 199 CA GLU A 15 -10.852 17.266 -32.744 1.00 0.00 C ATOM 200 C GLU A 15 -10.302 15.838 -32.783 1.00 0.00 C ATOM 201 O GLU A 15 -9.096 15.630 -32.663 1.00 0.00 O ATOM 202 CB GLU A 15 -11.857 17.435 -31.603 1.00 0.00 C ATOM 203 CG GLU A 15 -12.213 18.909 -31.401 1.00 0.00 C ATOM 204 CD GLU A 15 -13.705 19.150 -31.637 1.00 0.00 C ATOM 205 OE1 GLU A 15 -14.106 19.112 -32.821 1.00 0.00 O ATOM 206 OE2 GLU A 15 -14.413 19.365 -30.629 1.00 0.00 O ATOM 0 H GLU A 15 -12.379 18.028 -33.958 1.00 0.00 H new ATOM 0 HA GLU A 15 -10.023 17.949 -32.558 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -12.760 16.866 -31.822 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.439 17.028 -30.682 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.947 19.216 -30.389 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -11.629 19.525 -32.085 1.00 0.00 H new ATOM 213 N ARG A 16 -11.214 14.892 -32.951 1.00 0.00 N ATOM 214 CA ARG A 16 -10.836 13.490 -33.008 1.00 0.00 C ATOM 215 C ARG A 16 -10.223 13.051 -31.676 1.00 0.00 C ATOM 216 O ARG A 16 -9.004 13.052 -31.520 1.00 0.00 O ATOM 217 CB ARG A 16 -9.831 13.236 -34.133 1.00 0.00 C ATOM 218 CG ARG A 16 -9.399 11.768 -34.161 1.00 0.00 C ATOM 219 CD ARG A 16 -7.884 11.647 -34.336 1.00 0.00 C ATOM 220 NE ARG A 16 -7.500 12.048 -35.707 1.00 0.00 N ATOM 221 CZ ARG A 16 -7.650 11.271 -36.788 1.00 0.00 C ATOM 222 NH1 ARG A 16 -8.178 10.046 -36.663 1.00 0.00 N ATOM 223 NH2 ARG A 16 -7.274 11.718 -37.993 1.00 0.00 N ATOM 0 H ARG A 16 -12.214 15.069 -33.050 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.738 12.911 -33.205 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.276 13.506 -35.091 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -8.957 13.873 -33.996 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.702 11.278 -33.236 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.906 11.251 -34.976 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -7.374 12.277 -33.608 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -7.568 10.621 -34.146 1.00 0.00 H new ATOM 0 HE ARG A 16 -7.095 12.975 -35.838 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -8.465 9.706 -35.745 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -8.293 9.454 -37.485 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.873 12.651 -38.089 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -7.389 11.126 -38.815 1.00 0.00 H new ATOM 237 N ARG A 17 -11.098 12.687 -30.750 1.00 0.00 N ATOM 238 CA ARG A 17 -10.658 12.247 -29.438 1.00 0.00 C ATOM 239 C ARG A 17 -11.864 11.883 -28.568 1.00 0.00 C ATOM 240 O ARG A 17 -11.903 10.808 -27.973 1.00 0.00 O ATOM 241 CB ARG A 17 -9.841 13.333 -28.737 1.00 0.00 C ATOM 242 CG ARG A 17 -8.352 12.982 -28.731 1.00 0.00 C ATOM 243 CD ARG A 17 -7.495 14.220 -28.997 1.00 0.00 C ATOM 244 NE ARG A 17 -6.104 13.816 -29.306 1.00 0.00 N ATOM 245 CZ ARG A 17 -5.206 14.612 -29.902 1.00 0.00 C ATOM 246 NH1 ARG A 17 -5.546 15.859 -30.257 1.00 0.00 N ATOM 247 NH2 ARG A 17 -3.967 14.162 -30.143 1.00 0.00 N ATOM 0 H ARG A 17 -12.109 12.688 -30.883 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.028 11.369 -29.578 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.991 14.288 -29.241 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.194 13.454 -27.713 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.081 12.548 -27.769 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.150 12.226 -29.490 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -7.911 14.788 -29.829 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.507 14.875 -28.126 1.00 0.00 H new ATOM 0 HE ARG A 17 -5.811 12.873 -29.049 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.489 16.202 -30.073 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -4.862 16.465 -30.711 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.707 13.213 -29.873 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.284 14.768 -30.597 1.00 0.00 H new ATOM 261 N ARG A 18 -12.816 12.803 -28.520 1.00 0.00 N ATOM 262 CA ARG A 18 -14.019 12.593 -27.733 1.00 0.00 C ATOM 263 C ARG A 18 -15.245 13.110 -28.489 1.00 0.00 C ATOM 264 O ARG A 18 -16.233 13.510 -27.876 1.00 0.00 O ATOM 265 CB ARG A 18 -13.925 13.306 -26.382 1.00 0.00 C ATOM 266 CG ARG A 18 -13.421 14.741 -26.553 1.00 0.00 C ATOM 267 CD ARG A 18 -12.120 14.961 -25.778 1.00 0.00 C ATOM 268 NE ARG A 18 -11.823 16.407 -25.688 1.00 0.00 N ATOM 269 CZ ARG A 18 -12.473 17.260 -24.885 1.00 0.00 C ATOM 270 NH1 ARG A 18 -13.463 16.815 -24.097 1.00 0.00 N ATOM 271 NH2 ARG A 18 -12.136 18.557 -24.869 1.00 0.00 N ATOM 0 H ARG A 18 -12.779 13.695 -29.013 1.00 0.00 H new ATOM 0 HA ARG A 18 -14.119 11.521 -27.560 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.904 13.315 -25.903 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -13.253 12.757 -25.723 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -13.258 14.950 -27.610 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -14.180 15.441 -26.203 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -12.207 14.536 -24.778 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -11.299 14.443 -26.274 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.076 16.778 -26.275 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -13.720 15.828 -24.109 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -13.959 17.464 -23.485 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -11.384 18.896 -25.469 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -12.632 19.205 -24.257 1.00 0.00 H new ATOM 285 N SER A 19 -15.141 13.085 -29.810 1.00 0.00 N ATOM 286 CA SER A 19 -16.228 13.545 -30.656 1.00 0.00 C ATOM 287 C SER A 19 -17.571 13.115 -30.062 1.00 0.00 C ATOM 288 O SER A 19 -18.342 13.951 -29.594 1.00 0.00 O ATOM 289 CB SER A 19 -16.081 13.009 -32.082 1.00 0.00 C ATOM 290 OG SER A 19 -16.591 13.921 -33.050 1.00 0.00 O ATOM 0 H SER A 19 -14.319 12.753 -30.315 1.00 0.00 H new ATOM 0 HA SER A 19 -16.190 14.633 -30.701 1.00 0.00 H new ATOM 0 HB2 SER A 19 -15.029 12.812 -32.289 1.00 0.00 H new ATOM 0 HB3 SER A 19 -16.606 12.058 -32.168 1.00 0.00 H new ATOM 0 HG SER A 19 -16.477 13.543 -33.947 1.00 0.00 H new ATOM 296 N GLN A 20 -17.809 11.812 -30.101 1.00 0.00 N ATOM 297 CA GLN A 20 -19.046 11.261 -29.573 1.00 0.00 C ATOM 298 C GLN A 20 -18.780 10.528 -28.257 1.00 0.00 C ATOM 299 O GLN A 20 -19.279 9.423 -28.047 1.00 0.00 O ATOM 300 CB GLN A 20 -19.713 10.335 -30.592 1.00 0.00 C ATOM 301 CG GLN A 20 -20.241 11.128 -31.789 1.00 0.00 C ATOM 302 CD GLN A 20 -20.501 10.208 -32.985 1.00 0.00 C ATOM 303 OE1 GLN A 20 -19.638 9.966 -33.814 1.00 0.00 O ATOM 304 NE2 GLN A 20 -21.733 9.709 -33.026 1.00 0.00 N ATOM 0 H GLN A 20 -17.166 11.122 -30.490 1.00 0.00 H new ATOM 0 HA GLN A 20 -19.733 12.084 -29.376 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -18.997 9.588 -30.933 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -20.533 9.797 -30.117 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -21.163 11.640 -31.513 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -19.520 11.897 -32.067 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -22.406 9.953 -32.300 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -22.005 9.083 -33.784 1.00 0.00 H new ATOM 313 N LEU A 21 -17.996 11.171 -27.405 1.00 0.00 N ATOM 314 CA LEU A 21 -17.658 10.595 -26.115 1.00 0.00 C ATOM 315 C LEU A 21 -18.788 10.878 -25.123 1.00 0.00 C ATOM 316 O LEU A 21 -19.023 12.029 -24.758 1.00 0.00 O ATOM 317 CB LEU A 21 -16.289 11.092 -25.648 1.00 0.00 C ATOM 318 CG LEU A 21 -15.316 10.017 -25.159 1.00 0.00 C ATOM 319 CD1 LEU A 21 -14.131 10.644 -24.423 1.00 0.00 C ATOM 320 CD2 LEU A 21 -16.037 8.973 -24.304 1.00 0.00 C ATOM 0 H LEU A 21 -17.584 12.087 -27.583 1.00 0.00 H new ATOM 0 HA LEU A 21 -17.567 9.512 -26.193 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -15.820 11.631 -26.471 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -16.441 11.810 -24.842 1.00 0.00 H new ATOM 0 HG LEU A 21 -14.915 9.498 -26.029 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -13.455 9.858 -24.086 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -13.599 11.316 -25.096 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -14.493 11.205 -23.562 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -15.323 8.221 -23.969 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -16.485 9.459 -23.437 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -16.818 8.495 -24.895 1.00 0.00 H new ATOM 332 N ASP A 22 -19.457 9.810 -24.716 1.00 0.00 N ATOM 333 CA ASP A 22 -20.556 9.930 -23.773 1.00 0.00 C ATOM 334 C ASP A 22 -20.013 9.818 -22.347 1.00 0.00 C ATOM 335 O ASP A 22 -18.989 9.177 -22.116 1.00 0.00 O ATOM 336 CB ASP A 22 -21.582 8.812 -23.977 1.00 0.00 C ATOM 337 CG ASP A 22 -23.043 9.258 -23.922 1.00 0.00 C ATOM 338 OD1 ASP A 22 -23.299 10.288 -23.259 1.00 0.00 O ATOM 339 OD2 ASP A 22 -23.874 8.561 -24.544 1.00 0.00 O ATOM 0 H ASP A 22 -19.259 8.857 -25.022 1.00 0.00 H new ATOM 0 HA ASP A 22 -21.036 10.895 -23.936 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -21.397 8.342 -24.943 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -21.422 8.049 -23.215 1.00 0.00 H new ATOM 344 N ARG A 23 -20.725 10.453 -21.426 1.00 0.00 N ATOM 345 CA ARG A 23 -20.327 10.434 -20.029 1.00 0.00 C ATOM 346 C ARG A 23 -20.437 9.016 -19.466 1.00 0.00 C ATOM 347 O ARG A 23 -19.995 8.751 -18.348 1.00 0.00 O ATOM 348 CB ARG A 23 -21.198 11.376 -19.196 1.00 0.00 C ATOM 349 CG ARG A 23 -20.653 12.805 -19.236 1.00 0.00 C ATOM 350 CD ARG A 23 -19.181 12.842 -18.821 1.00 0.00 C ATOM 351 NE ARG A 23 -18.916 14.046 -18.000 1.00 0.00 N ATOM 352 CZ ARG A 23 -17.693 14.532 -17.752 1.00 0.00 C ATOM 353 NH1 ARG A 23 -16.613 13.921 -18.260 1.00 0.00 N ATOM 354 NH2 ARG A 23 -17.547 15.629 -16.997 1.00 0.00 N ATOM 0 H ARG A 23 -21.574 10.983 -21.621 1.00 0.00 H new ATOM 0 HA ARG A 23 -19.292 10.771 -19.974 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -22.220 11.362 -19.574 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -21.235 11.026 -18.164 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -20.761 13.211 -20.242 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -21.238 13.440 -18.571 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -18.931 11.944 -18.256 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -18.545 12.848 -19.706 1.00 0.00 H new ATOM 0 HE ARG A 23 -19.715 14.536 -17.598 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -16.723 13.086 -18.835 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -15.682 14.291 -18.071 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -18.368 16.095 -16.610 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -16.615 15.998 -16.809 1.00 0.00 H new ATOM 368 N ASP A 24 -21.032 8.141 -20.263 1.00 0.00 N ATOM 369 CA ASP A 24 -21.206 6.756 -19.858 1.00 0.00 C ATOM 370 C ASP A 24 -20.617 5.837 -20.930 1.00 0.00 C ATOM 371 O ASP A 24 -21.068 4.706 -21.099 1.00 0.00 O ATOM 372 CB ASP A 24 -22.689 6.411 -19.702 1.00 0.00 C ATOM 373 CG ASP A 24 -23.382 7.064 -18.505 1.00 0.00 C ATOM 374 OD1 ASP A 24 -23.121 6.599 -17.374 1.00 0.00 O ATOM 375 OD2 ASP A 24 -24.157 8.015 -18.748 1.00 0.00 O ATOM 0 H ASP A 24 -21.400 8.364 -21.188 1.00 0.00 H new ATOM 0 HA ASP A 24 -20.700 6.618 -18.902 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -23.213 6.706 -20.611 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -22.788 5.329 -19.614 1.00 0.00 H new ATOM 380 N GLN A 25 -19.617 6.358 -21.626 1.00 0.00 N ATOM 381 CA GLN A 25 -18.962 5.599 -22.678 1.00 0.00 C ATOM 382 C GLN A 25 -17.565 5.166 -22.228 1.00 0.00 C ATOM 383 O GLN A 25 -17.179 5.394 -21.082 1.00 0.00 O ATOM 384 CB GLN A 25 -18.893 6.406 -23.976 1.00 0.00 C ATOM 385 CG GLN A 25 -20.107 6.121 -24.863 1.00 0.00 C ATOM 386 CD GLN A 25 -19.966 6.807 -26.223 1.00 0.00 C ATOM 387 OE1 GLN A 25 -18.918 7.318 -26.583 1.00 0.00 O ATOM 388 NE2 GLN A 25 -21.077 6.792 -26.954 1.00 0.00 N ATOM 0 H GLN A 25 -19.244 7.297 -21.482 1.00 0.00 H new ATOM 0 HA GLN A 25 -19.553 4.705 -22.876 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -18.849 7.470 -23.745 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -17.978 6.158 -24.514 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -20.214 5.045 -25.004 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -21.013 6.470 -24.368 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -21.920 6.346 -26.592 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -21.086 7.226 -27.877 1.00 0.00 H new ATOM 397 N CYS A 26 -16.846 4.547 -23.151 1.00 0.00 N ATOM 398 CA CYS A 26 -15.500 4.080 -22.864 1.00 0.00 C ATOM 399 C CYS A 26 -14.529 4.808 -23.796 1.00 0.00 C ATOM 400 O CYS A 26 -14.813 4.983 -24.980 1.00 0.00 O ATOM 401 CB CYS A 26 -15.389 2.560 -22.999 1.00 0.00 C ATOM 402 SG CYS A 26 -13.651 2.036 -22.765 1.00 0.00 S ATOM 0 H CYS A 26 -17.170 4.357 -24.099 1.00 0.00 H new ATOM 0 HA CYS A 26 -15.247 4.307 -21.829 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -16.027 2.074 -22.261 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -15.743 2.247 -23.981 1.00 0.00 H new ATOM 407 N ALA A 27 -13.404 5.213 -23.225 1.00 0.00 N ATOM 408 CA ALA A 27 -12.390 5.918 -23.989 1.00 0.00 C ATOM 409 C ALA A 27 -11.202 4.985 -24.234 1.00 0.00 C ATOM 410 O ALA A 27 -10.049 5.412 -24.170 1.00 0.00 O ATOM 411 CB ALA A 27 -11.986 7.193 -23.248 1.00 0.00 C ATOM 0 H ALA A 27 -13.173 5.066 -22.242 1.00 0.00 H new ATOM 0 HA ALA A 27 -12.781 6.217 -24.961 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.225 7.722 -23.822 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -12.859 7.834 -23.125 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.586 6.933 -22.268 1.00 0.00 H new ATOM 417 N TYR A 28 -11.522 3.731 -24.512 1.00 0.00 N ATOM 418 CA TYR A 28 -10.496 2.734 -24.767 1.00 0.00 C ATOM 419 C TYR A 28 -10.865 1.861 -25.968 1.00 0.00 C ATOM 420 O TYR A 28 -10.070 1.706 -26.894 1.00 0.00 O ATOM 421 CB TYR A 28 -10.438 1.858 -23.514 1.00 0.00 C ATOM 422 CG TYR A 28 -9.047 1.299 -23.210 1.00 0.00 C ATOM 423 CD1 TYR A 28 -7.953 2.140 -23.194 1.00 0.00 C ATOM 424 CD2 TYR A 28 -8.887 -0.048 -22.950 1.00 0.00 C ATOM 425 CE1 TYR A 28 -6.644 1.614 -22.907 1.00 0.00 C ATOM 426 CE2 TYR A 28 -7.577 -0.574 -22.663 1.00 0.00 C ATOM 427 CZ TYR A 28 -6.520 0.282 -22.656 1.00 0.00 C ATOM 428 OH TYR A 28 -5.283 -0.215 -22.385 1.00 0.00 O ATOM 0 H TYR A 28 -12.479 3.381 -24.567 1.00 0.00 H new ATOM 0 HA TYR A 28 -9.542 3.213 -24.987 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -10.779 2.442 -22.659 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -11.134 1.028 -23.631 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -8.079 3.193 -23.397 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -9.743 -0.706 -22.962 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -5.780 2.262 -22.891 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -7.437 -1.625 -22.458 1.00 0.00 H new ATOM 0 HH TYR A 28 -5.150 -1.050 -22.880 1.00 0.00 H new ATOM 438 N CYS A 29 -12.071 1.316 -25.914 1.00 0.00 N ATOM 439 CA CYS A 29 -12.555 0.463 -26.987 1.00 0.00 C ATOM 440 C CYS A 29 -13.665 1.210 -27.730 1.00 0.00 C ATOM 441 O CYS A 29 -13.955 0.906 -28.887 1.00 0.00 O ATOM 442 CB CYS A 29 -13.033 -0.891 -26.461 1.00 0.00 C ATOM 443 SG CYS A 29 -14.491 -0.664 -25.377 1.00 0.00 S ATOM 0 H CYS A 29 -12.728 1.448 -25.145 1.00 0.00 H new ATOM 0 HA CYS A 29 -11.740 0.244 -27.677 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -13.288 -1.545 -27.295 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -12.231 -1.379 -25.908 1.00 0.00 H new ATOM 448 N LYS A 30 -14.254 2.172 -27.037 1.00 0.00 N ATOM 449 CA LYS A 30 -15.325 2.965 -27.617 1.00 0.00 C ATOM 450 C LYS A 30 -16.669 2.303 -27.306 1.00 0.00 C ATOM 451 O LYS A 30 -17.644 2.499 -28.030 1.00 0.00 O ATOM 452 CB LYS A 30 -15.079 3.186 -29.111 1.00 0.00 C ATOM 453 CG LYS A 30 -15.662 4.524 -29.571 1.00 0.00 C ATOM 454 CD LYS A 30 -15.052 5.686 -28.786 1.00 0.00 C ATOM 455 CE LYS A 30 -14.494 6.752 -29.731 1.00 0.00 C ATOM 456 NZ LYS A 30 -15.524 7.168 -30.709 1.00 0.00 N ATOM 0 H LYS A 30 -14.010 2.421 -26.078 1.00 0.00 H new ATOM 0 HA LYS A 30 -15.348 3.959 -27.171 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -14.008 3.163 -29.314 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -15.529 2.374 -29.681 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -15.473 4.661 -30.636 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -16.744 4.519 -29.438 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -15.808 6.129 -28.138 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -14.256 5.315 -28.140 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -14.159 7.616 -29.157 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -13.622 6.361 -30.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -15.374 8.164 -30.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -15.454 6.574 -31.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -16.468 7.058 -30.287 1.00 0.00 H new ATOM 470 N GLU A 31 -16.678 1.533 -26.227 1.00 0.00 N ATOM 471 CA GLU A 31 -17.886 0.841 -25.812 1.00 0.00 C ATOM 472 C GLU A 31 -18.793 1.786 -25.020 1.00 0.00 C ATOM 473 O GLU A 31 -18.323 2.767 -24.445 1.00 0.00 O ATOM 474 CB GLU A 31 -17.550 -0.408 -24.996 1.00 0.00 C ATOM 475 CG GLU A 31 -18.820 -1.077 -24.469 1.00 0.00 C ATOM 476 CD GLU A 31 -19.707 -1.555 -25.621 1.00 0.00 C ATOM 477 OE1 GLU A 31 -19.128 -2.021 -26.625 1.00 0.00 O ATOM 478 OE2 GLU A 31 -20.943 -1.443 -25.470 1.00 0.00 O ATOM 0 H GLU A 31 -15.868 1.374 -25.628 1.00 0.00 H new ATOM 0 HA GLU A 31 -18.421 0.518 -26.705 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -16.994 -1.112 -25.615 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -16.904 -0.138 -24.161 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -18.554 -1.923 -23.835 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -19.374 -0.374 -23.846 1.00 0.00 H new ATOM 485 N LYS A 32 -20.077 1.458 -25.015 1.00 0.00 N ATOM 486 CA LYS A 32 -21.053 2.265 -24.303 1.00 0.00 C ATOM 487 C LYS A 32 -21.662 1.437 -23.169 1.00 0.00 C ATOM 488 O LYS A 32 -22.326 0.432 -23.417 1.00 0.00 O ATOM 489 CB LYS A 32 -22.089 2.833 -25.275 1.00 0.00 C ATOM 490 CG LYS A 32 -23.299 3.392 -24.522 1.00 0.00 C ATOM 491 CD LYS A 32 -23.606 4.823 -24.965 1.00 0.00 C ATOM 492 CE LYS A 32 -24.413 4.834 -26.264 1.00 0.00 C ATOM 493 NZ LYS A 32 -23.519 5.029 -27.428 1.00 0.00 N ATOM 0 H LYS A 32 -20.464 0.644 -25.493 1.00 0.00 H new ATOM 0 HA LYS A 32 -20.572 3.129 -23.845 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -21.635 3.620 -25.877 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -22.413 2.053 -25.963 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -24.168 2.758 -24.700 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -23.105 3.373 -23.450 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -24.163 5.338 -24.182 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -22.675 5.371 -25.107 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -24.957 3.895 -26.369 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -25.156 5.631 -26.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -23.889 4.498 -28.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -23.474 6.040 -27.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -22.565 4.686 -27.195 1.00 0.00 H new ATOM 507 N GLY A 33 -21.415 1.891 -21.950 1.00 0.00 N ATOM 508 CA GLY A 33 -21.930 1.206 -20.777 1.00 0.00 C ATOM 509 C GLY A 33 -20.871 1.132 -19.675 1.00 0.00 C ATOM 510 O GLY A 33 -21.181 1.315 -18.499 1.00 0.00 O ATOM 0 H GLY A 33 -20.864 2.726 -21.749 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -22.811 1.728 -20.405 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -22.247 0.199 -21.049 1.00 0.00 H new ATOM 514 N HIS A 34 -19.644 0.862 -20.096 1.00 0.00 N ATOM 515 CA HIS A 34 -18.537 0.762 -19.159 1.00 0.00 C ATOM 516 C HIS A 34 -17.542 1.894 -19.419 1.00 0.00 C ATOM 517 O HIS A 34 -17.525 2.475 -20.502 1.00 0.00 O ATOM 518 CB HIS A 34 -17.892 -0.623 -19.228 1.00 0.00 C ATOM 519 CG HIS A 34 -17.065 -0.855 -20.470 1.00 0.00 C ATOM 520 ND1 HIS A 34 -17.387 -1.812 -21.417 1.00 0.00 N ATOM 521 CD2 HIS A 34 -15.929 -0.243 -20.911 1.00 0.00 C ATOM 522 CE1 HIS A 34 -16.476 -1.770 -22.378 1.00 0.00 C ATOM 523 NE2 HIS A 34 -15.573 -0.797 -22.063 1.00 0.00 N ATOM 0 H HIS A 34 -19.392 0.709 -21.072 1.00 0.00 H new ATOM 0 HA HIS A 34 -18.906 0.877 -18.140 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -17.259 -0.762 -18.352 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -18.675 -1.380 -19.179 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -18.189 -2.442 -21.381 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -15.407 0.557 -20.408 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -16.452 -2.397 -23.257 1.00 0.00 H new ATOM 531 N TRP A 35 -16.734 2.173 -18.405 1.00 0.00 N ATOM 532 CA TRP A 35 -15.737 3.224 -18.510 1.00 0.00 C ATOM 533 C TRP A 35 -14.404 2.576 -18.892 1.00 0.00 C ATOM 534 O TRP A 35 -14.243 1.363 -18.771 1.00 0.00 O ATOM 535 CB TRP A 35 -15.657 4.034 -17.214 1.00 0.00 C ATOM 536 CG TRP A 35 -16.542 5.283 -17.206 1.00 0.00 C ATOM 537 CD1 TRP A 35 -17.848 5.371 -17.495 1.00 0.00 C ATOM 538 CD2 TRP A 35 -16.130 6.627 -16.879 1.00 0.00 C ATOM 539 NE1 TRP A 35 -18.306 6.667 -17.379 1.00 0.00 N ATOM 540 CE2 TRP A 35 -17.228 7.455 -16.993 1.00 0.00 C ATOM 541 CE3 TRP A 35 -14.871 7.125 -16.501 1.00 0.00 C ATOM 542 CZ2 TRP A 35 -17.178 8.832 -16.744 1.00 0.00 C ATOM 543 CZ3 TRP A 35 -14.838 8.504 -16.257 1.00 0.00 C ATOM 544 CH2 TRP A 35 -15.934 9.351 -16.366 1.00 0.00 C ATOM 0 H TRP A 35 -16.750 1.689 -17.507 1.00 0.00 H new ATOM 0 HA TRP A 35 -16.011 3.939 -19.285 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -15.942 3.394 -16.379 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -14.622 4.333 -17.048 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -18.464 4.532 -17.783 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -19.260 6.988 -17.546 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -13.999 6.495 -16.406 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -18.052 9.460 -16.838 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -13.894 8.939 -15.964 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -15.827 10.406 -16.160 1.00 0.00 H new ATOM 555 N ALA A 36 -13.485 3.414 -19.348 1.00 0.00 N ATOM 556 CA ALA A 36 -12.172 2.937 -19.748 1.00 0.00 C ATOM 557 C ALA A 36 -11.504 2.237 -18.563 1.00 0.00 C ATOM 558 O ALA A 36 -10.855 1.206 -18.733 1.00 0.00 O ATOM 559 CB ALA A 36 -11.342 4.111 -20.274 1.00 0.00 C ATOM 0 H ALA A 36 -13.623 4.419 -19.449 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.258 2.209 -20.555 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.357 3.754 -20.574 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.844 4.556 -21.133 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.233 4.860 -19.490 1.00 0.00 H new ATOM 565 N LYS A 37 -11.688 2.824 -17.390 1.00 0.00 N ATOM 566 CA LYS A 37 -11.111 2.268 -16.177 1.00 0.00 C ATOM 567 C LYS A 37 -11.798 0.941 -15.853 1.00 0.00 C ATOM 568 O LYS A 37 -11.350 0.204 -14.976 1.00 0.00 O ATOM 569 CB LYS A 37 -11.174 3.289 -15.038 1.00 0.00 C ATOM 570 CG LYS A 37 -9.997 4.263 -15.108 1.00 0.00 C ATOM 571 CD LYS A 37 -10.242 5.346 -16.161 1.00 0.00 C ATOM 572 CE LYS A 37 -9.391 6.586 -15.881 1.00 0.00 C ATOM 573 NZ LYS A 37 -7.994 6.364 -16.317 1.00 0.00 N ATOM 0 H LYS A 37 -12.228 3.678 -17.253 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.053 2.052 -16.322 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.112 3.842 -15.092 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.165 2.770 -14.079 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.846 4.727 -14.133 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.084 3.718 -15.347 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.007 4.955 -17.151 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.297 5.619 -16.168 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.809 7.447 -16.403 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.414 6.817 -14.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.485 7.271 -16.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.524 5.711 -15.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.990 5.954 -17.273 1.00 0.00 H new ATOM 587 N ASP A 38 -12.875 0.676 -16.577 1.00 0.00 N ATOM 588 CA ASP A 38 -13.628 -0.550 -16.378 1.00 0.00 C ATOM 589 C ASP A 38 -13.738 -1.299 -17.708 1.00 0.00 C ATOM 590 O ASP A 38 -14.617 -2.142 -17.880 1.00 0.00 O ATOM 591 CB ASP A 38 -15.045 -0.252 -15.885 1.00 0.00 C ATOM 592 CG ASP A 38 -15.556 -1.180 -14.782 1.00 0.00 C ATOM 593 OD1 ASP A 38 -14.746 -1.492 -13.882 1.00 0.00 O ATOM 594 OD2 ASP A 38 -16.744 -1.560 -14.863 1.00 0.00 O ATOM 0 H ASP A 38 -13.244 1.290 -17.303 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.105 -1.149 -15.633 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -15.078 0.774 -15.519 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -15.728 -0.310 -16.733 1.00 0.00 H new ATOM 599 N CYS A 39 -12.832 -0.964 -18.615 1.00 0.00 N ATOM 600 CA CYS A 39 -12.816 -1.594 -19.924 1.00 0.00 C ATOM 601 C CYS A 39 -12.300 -3.025 -19.762 1.00 0.00 C ATOM 602 O CYS A 39 -11.230 -3.244 -19.198 1.00 0.00 O ATOM 603 CB CYS A 39 -11.979 -0.796 -20.926 1.00 0.00 C ATOM 604 SG CYS A 39 -12.188 -1.487 -22.608 1.00 0.00 S ATOM 0 H CYS A 39 -12.104 -0.265 -18.469 1.00 0.00 H new ATOM 0 HA CYS A 39 -13.827 -1.617 -20.331 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -12.283 0.251 -20.914 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -10.928 -0.826 -20.640 1.00 0.00 H new ATOM 609 N PRO A 40 -13.107 -3.989 -20.281 1.00 0.00 N ATOM 610 CA PRO A 40 -12.744 -5.394 -20.199 1.00 0.00 C ATOM 611 C PRO A 40 -11.638 -5.733 -21.200 1.00 0.00 C ATOM 612 O PRO A 40 -11.202 -6.880 -21.283 1.00 0.00 O ATOM 613 CB PRO A 40 -14.036 -6.151 -20.463 1.00 0.00 C ATOM 614 CG PRO A 40 -14.970 -5.159 -21.138 1.00 0.00 C ATOM 615 CD PRO A 40 -14.383 -3.768 -20.957 1.00 0.00 C ATOM 0 HA PRO A 40 -12.331 -5.666 -19.228 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -13.858 -7.016 -21.101 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -14.467 -6.523 -19.534 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -15.075 -5.394 -22.197 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -15.966 -5.213 -20.699 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -14.242 -3.270 -21.916 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -15.042 -3.135 -20.363 1.00 0.00 H new ATOM 623 N LYS A 41 -11.218 -4.715 -21.936 1.00 0.00 N ATOM 624 CA LYS A 41 -10.170 -4.890 -22.928 1.00 0.00 C ATOM 625 C LYS A 41 -8.805 -4.760 -22.251 1.00 0.00 C ATOM 626 O LYS A 41 -7.797 -5.217 -22.787 1.00 0.00 O ATOM 627 CB LYS A 41 -10.372 -3.923 -24.096 1.00 0.00 C ATOM 628 CG LYS A 41 -9.313 -4.143 -25.179 1.00 0.00 C ATOM 629 CD LYS A 41 -9.222 -2.933 -26.110 1.00 0.00 C ATOM 630 CE LYS A 41 -8.499 -1.769 -25.429 1.00 0.00 C ATOM 631 NZ LYS A 41 -9.203 -0.495 -25.695 1.00 0.00 N ATOM 0 H LYS A 41 -11.584 -3.766 -21.866 1.00 0.00 H new ATOM 0 HA LYS A 41 -10.217 -5.890 -23.360 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -11.366 -4.063 -24.521 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.321 -2.896 -23.735 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.344 -4.322 -24.714 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -9.559 -5.034 -25.757 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.693 -3.210 -27.022 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -10.224 -2.621 -26.405 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.446 -1.945 -24.355 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.473 -1.707 -25.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.176 0.101 -24.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.736 0.002 -26.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.192 -0.691 -25.949 1.00 0.00 H new ATOM 645 N LYS A 42 -8.816 -4.136 -21.083 1.00 0.00 N ATOM 646 CA LYS A 42 -7.591 -3.940 -20.326 1.00 0.00 C ATOM 647 C LYS A 42 -7.069 -5.297 -19.850 1.00 0.00 C ATOM 648 O LYS A 42 -7.695 -5.951 -19.018 1.00 0.00 O ATOM 649 CB LYS A 42 -7.815 -2.936 -19.194 1.00 0.00 C ATOM 650 CG LYS A 42 -7.739 -1.498 -19.713 1.00 0.00 C ATOM 651 CD LYS A 42 -8.167 -0.502 -18.633 1.00 0.00 C ATOM 652 CE LYS A 42 -7.345 0.786 -18.719 1.00 0.00 C ATOM 653 NZ LYS A 42 -7.364 1.500 -17.424 1.00 0.00 N ATOM 0 H LYS A 42 -9.655 -3.759 -20.641 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.818 -3.504 -20.959 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.789 -3.110 -18.736 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.066 -3.086 -18.417 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.721 -1.277 -20.034 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.380 -1.389 -20.588 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.226 -0.270 -18.746 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.043 -0.952 -17.648 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.317 0.551 -18.996 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.747 1.429 -19.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.312 2.525 -17.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.244 1.277 -16.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.549 1.201 -16.851 1.00 0.00 H new ATOM 667 N PRO A 43 -5.896 -5.691 -20.415 1.00 0.00 N ATOM 668 CA PRO A 43 -5.282 -6.959 -20.057 1.00 0.00 C ATOM 669 C PRO A 43 -4.631 -6.881 -18.674 1.00 0.00 C ATOM 670 O PRO A 43 -3.429 -7.102 -18.536 1.00 0.00 O ATOM 671 CB PRO A 43 -4.283 -7.239 -21.167 1.00 0.00 C ATOM 672 CG PRO A 43 -4.041 -5.908 -21.857 1.00 0.00 C ATOM 673 CD PRO A 43 -5.126 -4.944 -21.404 1.00 0.00 C ATOM 0 HA PRO A 43 -6.006 -7.770 -19.977 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -3.355 -7.644 -20.764 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.675 -7.976 -21.868 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.055 -5.520 -21.602 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.066 -6.029 -22.940 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -4.697 -4.040 -20.972 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -5.752 -4.631 -22.240 1.00 0.00 H new ATOM 681 N ARG A 44 -5.455 -6.567 -17.684 1.00 0.00 N ATOM 682 CA ARG A 44 -4.974 -6.459 -16.317 1.00 0.00 C ATOM 683 C ARG A 44 -5.040 -7.820 -15.622 1.00 0.00 C ATOM 684 O ARG A 44 -5.791 -8.699 -16.040 1.00 0.00 O ATOM 685 CB ARG A 44 -5.802 -5.447 -15.522 1.00 0.00 C ATOM 686 CG ARG A 44 -7.235 -5.945 -15.325 1.00 0.00 C ATOM 687 CD ARG A 44 -8.111 -4.860 -14.695 1.00 0.00 C ATOM 688 NE ARG A 44 -7.970 -4.886 -13.223 1.00 0.00 N ATOM 689 CZ ARG A 44 -8.398 -3.913 -12.409 1.00 0.00 C ATOM 690 NH1 ARG A 44 -8.998 -2.829 -12.920 1.00 0.00 N ATOM 691 NH2 ARG A 44 -8.226 -4.021 -11.084 1.00 0.00 N ATOM 0 H ARG A 44 -6.452 -6.384 -17.802 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.940 -6.117 -16.354 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.337 -5.274 -14.552 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.814 -4.491 -16.045 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -7.655 -6.244 -16.285 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -7.232 -6.830 -14.689 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -7.824 -3.881 -15.079 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -9.154 -5.017 -14.971 1.00 0.00 H new ATOM 0 HE ARG A 44 -7.518 -5.697 -12.801 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -9.128 -2.746 -13.928 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -9.324 -2.087 -12.301 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -7.768 -4.845 -10.695 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -8.553 -3.279 -10.465 1.00 0.00 H new ATOM 705 N GLY A 45 -4.241 -7.951 -14.572 1.00 0.00 N ATOM 706 CA GLY A 45 -4.199 -9.190 -13.814 1.00 0.00 C ATOM 707 C GLY A 45 -5.264 -9.198 -12.716 1.00 0.00 C ATOM 708 O GLY A 45 -6.029 -8.244 -12.580 1.00 0.00 O ATOM 0 H GLY A 45 -3.618 -7.220 -14.229 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.356 -10.036 -14.484 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.212 -9.315 -13.369 1.00 0.00 H new ATOM 712 N PRO A 46 -5.281 -10.315 -11.940 1.00 0.00 N ATOM 713 CA PRO A 46 -4.341 -11.398 -12.168 1.00 0.00 C ATOM 714 C PRO A 46 -4.729 -12.211 -13.405 1.00 0.00 C ATOM 715 O PRO A 46 -3.891 -12.481 -14.263 1.00 0.00 O ATOM 716 CB PRO A 46 -4.366 -12.217 -10.888 1.00 0.00 C ATOM 717 CG PRO A 46 -5.652 -11.835 -10.174 1.00 0.00 C ATOM 718 CD PRO A 46 -6.192 -10.574 -10.829 1.00 0.00 C ATOM 0 HA PRO A 46 -3.333 -11.041 -12.378 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -4.343 -13.285 -11.107 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -3.496 -12.000 -10.268 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -6.381 -12.643 -10.242 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -5.464 -11.664 -9.114 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -7.214 -10.716 -11.180 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.209 -9.740 -10.128 1.00 0.00 H new ATOM 726 N ARG A 47 -6.002 -12.578 -13.456 1.00 0.00 N ATOM 727 CA ARG A 47 -6.512 -13.353 -14.575 1.00 0.00 C ATOM 728 C ARG A 47 -5.895 -12.863 -15.886 1.00 0.00 C ATOM 729 O ARG A 47 -5.701 -11.663 -16.076 1.00 0.00 O ATOM 730 CB ARG A 47 -8.036 -13.250 -14.666 1.00 0.00 C ATOM 731 CG ARG A 47 -8.661 -14.617 -14.954 1.00 0.00 C ATOM 732 CD ARG A 47 -8.969 -14.775 -16.444 1.00 0.00 C ATOM 733 NE ARG A 47 -10.412 -14.561 -16.688 1.00 0.00 N ATOM 734 CZ ARG A 47 -11.358 -15.485 -16.466 1.00 0.00 C ATOM 735 NH1 ARG A 47 -11.016 -16.692 -15.995 1.00 0.00 N ATOM 736 NH2 ARG A 47 -12.643 -15.202 -16.717 1.00 0.00 N ATOM 0 H ARG A 47 -6.694 -12.353 -12.741 1.00 0.00 H new ATOM 0 HA ARG A 47 -6.238 -14.395 -14.409 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -8.434 -12.854 -13.732 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -8.310 -12.547 -15.453 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -7.981 -15.407 -14.634 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -9.578 -14.731 -14.375 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.384 -14.060 -17.022 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -8.679 -15.770 -16.780 1.00 0.00 H new ATOM 0 HE ARG A 47 -10.706 -13.653 -17.048 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -10.037 -16.907 -15.806 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -11.735 -17.396 -15.826 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -12.902 -14.283 -17.077 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -13.362 -15.905 -16.548 1.00 0.00 H new ATOM 750 N GLY A 48 -5.604 -13.817 -16.758 1.00 0.00 N ATOM 751 CA GLY A 48 -5.012 -13.497 -18.046 1.00 0.00 C ATOM 752 C GLY A 48 -3.825 -14.414 -18.347 1.00 0.00 C ATOM 753 O GLY A 48 -3.972 -15.635 -18.390 1.00 0.00 O ATOM 0 H GLY A 48 -5.767 -14.811 -16.598 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -5.762 -13.598 -18.830 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.684 -12.458 -18.051 1.00 0.00 H new ATOM 757 N PRO A 49 -2.643 -13.774 -18.553 1.00 0.00 N ATOM 758 CA PRO A 49 -1.430 -14.519 -18.849 1.00 0.00 C ATOM 759 C PRO A 49 -0.883 -15.197 -17.591 1.00 0.00 C ATOM 760 O PRO A 49 -0.073 -14.616 -16.870 1.00 0.00 O ATOM 761 CB PRO A 49 -0.472 -13.494 -19.435 1.00 0.00 C ATOM 762 CG PRO A 49 -1.010 -12.135 -19.018 1.00 0.00 C ATOM 763 CD PRO A 49 -2.429 -12.331 -18.511 1.00 0.00 C ATOM 0 HA PRO A 49 -1.598 -15.335 -19.552 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.540 -13.646 -19.059 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.425 -13.579 -20.521 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.384 -11.699 -18.240 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.998 -11.445 -19.861 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.545 -11.943 -17.499 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.149 -11.806 -19.138 1.00 0.00 H new ATOM 771 N ARG A 50 -1.347 -16.418 -17.366 1.00 0.00 N ATOM 772 CA ARG A 50 -0.915 -17.181 -16.209 1.00 0.00 C ATOM 773 C ARG A 50 -0.998 -18.681 -16.501 1.00 0.00 C ATOM 774 O ARG A 50 -1.794 -19.393 -15.890 1.00 0.00 O ATOM 775 CB ARG A 50 -1.773 -16.859 -14.984 1.00 0.00 C ATOM 776 CG ARG A 50 -3.263 -16.913 -15.329 1.00 0.00 C ATOM 777 CD ARG A 50 -4.117 -16.980 -14.062 1.00 0.00 C ATOM 778 NE ARG A 50 -5.223 -17.946 -14.247 1.00 0.00 N ATOM 779 CZ ARG A 50 -6.200 -18.150 -13.354 1.00 0.00 C ATOM 780 NH1 ARG A 50 -6.215 -17.458 -12.207 1.00 0.00 N ATOM 781 NH2 ARG A 50 -7.164 -19.047 -13.608 1.00 0.00 N ATOM 0 H ARG A 50 -2.018 -16.897 -17.966 1.00 0.00 H new ATOM 0 HA ARG A 50 0.118 -16.905 -15.997 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.555 -17.569 -14.186 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.519 -15.868 -14.608 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -3.537 -16.033 -15.911 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.464 -17.783 -15.954 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.501 -17.278 -13.214 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -4.520 -15.993 -13.832 1.00 0.00 H new ATOM 0 HE ARG A 50 -5.242 -18.491 -15.109 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -5.482 -16.775 -12.014 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -6.959 -17.614 -11.527 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -7.153 -19.574 -14.481 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -7.908 -19.202 -12.928 1.00 0.00 H new ATOM 795 N PRO A 51 -0.143 -19.128 -17.459 1.00 0.00 N ATOM 796 CA PRO A 51 -0.112 -20.530 -17.840 1.00 0.00 C ATOM 797 C PRO A 51 0.589 -21.372 -16.771 1.00 0.00 C ATOM 798 O PRO A 51 1.800 -21.577 -16.834 1.00 0.00 O ATOM 799 CB PRO A 51 0.601 -20.558 -19.181 1.00 0.00 C ATOM 800 CG PRO A 51 1.351 -19.240 -19.282 1.00 0.00 C ATOM 801 CD PRO A 51 0.814 -18.314 -18.203 1.00 0.00 C ATOM 0 HA PRO A 51 -1.108 -20.965 -17.925 1.00 0.00 H new ATOM 0 HB2 PRO A 51 1.287 -21.403 -19.241 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -0.111 -20.666 -20.000 1.00 0.00 H new ATOM 0 HG2 PRO A 51 2.421 -19.399 -19.151 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.213 -18.797 -20.268 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.614 -17.953 -17.557 1.00 0.00 H new ATOM 0 HD3 PRO A 51 0.335 -17.436 -18.637 1.00 0.00 H new ATOM 809 N GLN A 52 -0.203 -21.839 -15.818 1.00 0.00 N ATOM 810 CA GLN A 52 0.326 -22.655 -14.737 1.00 0.00 C ATOM 811 C GLN A 52 -0.790 -23.488 -14.105 1.00 0.00 C ATOM 812 O GLN A 52 -1.938 -23.050 -14.044 1.00 0.00 O ATOM 813 CB GLN A 52 1.026 -21.789 -13.689 1.00 0.00 C ATOM 814 CG GLN A 52 0.025 -20.881 -12.972 1.00 0.00 C ATOM 815 CD GLN A 52 0.445 -20.641 -11.519 1.00 0.00 C ATOM 816 OE1 GLN A 52 1.555 -20.229 -11.227 1.00 0.00 O ATOM 817 NE2 GLN A 52 -0.503 -20.921 -10.630 1.00 0.00 N ATOM 0 H GLN A 52 -1.208 -21.668 -15.771 1.00 0.00 H new ATOM 0 HA GLN A 52 1.069 -23.336 -15.152 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.530 -22.427 -12.962 1.00 0.00 H new ATOM 0 HB3 GLN A 52 1.795 -21.182 -14.168 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -0.047 -19.928 -13.496 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.966 -21.334 -12.998 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -1.411 -21.263 -10.944 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -0.322 -20.794 -9.634 1.00 0.00 H new ATOM 826 N THR A 53 -0.414 -24.674 -13.651 1.00 0.00 N ATOM 827 CA THR A 53 -1.371 -25.573 -13.025 1.00 0.00 C ATOM 828 C THR A 53 -1.782 -25.040 -11.651 1.00 0.00 C ATOM 829 O THR A 53 -0.962 -24.472 -10.930 1.00 0.00 O ATOM 830 CB THR A 53 -0.744 -26.967 -12.974 1.00 0.00 C ATOM 831 OG1 THR A 53 -1.772 -27.790 -12.427 1.00 0.00 O ATOM 832 CG2 THR A 53 0.392 -27.063 -11.954 1.00 0.00 C ATOM 0 H THR A 53 0.539 -25.034 -13.704 1.00 0.00 H new ATOM 0 HA THR A 53 -2.293 -25.636 -13.603 1.00 0.00 H new ATOM 0 HB THR A 53 -0.367 -27.231 -13.962 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.451 -28.713 -12.360 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.801 -28.073 -11.959 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.176 -26.353 -12.215 1.00 0.00 H new ATOM 0 HG23 THR A 53 0.009 -26.832 -10.960 1.00 0.00 H new ATOM 840 N SER A 54 -3.050 -25.244 -11.328 1.00 0.00 N ATOM 841 CA SER A 54 -3.580 -24.792 -10.053 1.00 0.00 C ATOM 842 C SER A 54 -4.978 -25.373 -9.831 1.00 0.00 C ATOM 843 O SER A 54 -5.978 -24.684 -10.019 1.00 0.00 O ATOM 844 CB SER A 54 -3.625 -23.263 -9.986 1.00 0.00 C ATOM 845 OG SER A 54 -4.189 -22.799 -8.762 1.00 0.00 O ATOM 0 H SER A 54 -3.727 -25.717 -11.927 1.00 0.00 H new ATOM 0 HA SER A 54 -2.917 -25.145 -9.263 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.616 -22.865 -10.094 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.210 -22.880 -10.823 1.00 0.00 H new ATOM 0 HG SER A 54 -4.199 -21.819 -8.757 1.00 0.00 H new ATOM 851 N LEU A 55 -5.001 -26.637 -9.434 1.00 0.00 N ATOM 852 CA LEU A 55 -6.259 -27.320 -9.184 1.00 0.00 C ATOM 853 C LEU A 55 -5.978 -28.673 -8.528 1.00 0.00 C ATOM 854 O LEU A 55 -6.048 -29.711 -9.184 1.00 0.00 O ATOM 855 CB LEU A 55 -7.080 -27.418 -10.472 1.00 0.00 C ATOM 856 CG LEU A 55 -8.591 -27.233 -10.318 1.00 0.00 C ATOM 857 CD1 LEU A 55 -8.957 -25.750 -10.247 1.00 0.00 C ATOM 858 CD2 LEU A 55 -9.348 -27.958 -11.434 1.00 0.00 C ATOM 0 H LEU A 55 -4.169 -27.206 -9.279 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.871 -26.749 -8.486 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.711 -26.669 -11.173 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.897 -28.393 -10.923 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.897 -27.685 -9.375 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.037 -25.646 -10.138 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.460 -25.293 -9.391 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.636 -25.252 -11.162 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.420 -27.811 -11.302 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.043 -27.557 -12.401 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.120 -29.023 -11.395 1.00 0.00 H new ATOM 870 N LEU A 56 -5.668 -28.619 -7.241 1.00 0.00 N ATOM 871 CA LEU A 56 -5.376 -29.827 -6.490 1.00 0.00 C ATOM 872 C LEU A 56 -5.915 -29.680 -5.065 1.00 0.00 C ATOM 873 O LEU A 56 -5.856 -30.621 -4.275 1.00 0.00 O ATOM 874 CB LEU A 56 -3.882 -30.150 -6.553 1.00 0.00 C ATOM 875 CG LEU A 56 -3.522 -31.619 -6.786 1.00 0.00 C ATOM 876 CD1 LEU A 56 -3.688 -31.997 -8.259 1.00 0.00 C ATOM 877 CD2 LEU A 56 -2.116 -31.928 -6.269 1.00 0.00 C ATOM 0 H LEU A 56 -5.613 -27.756 -6.699 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.882 -30.684 -6.935 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.436 -29.556 -7.351 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.421 -29.827 -5.619 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.217 -32.236 -6.216 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.426 -33.046 -8.397 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.723 -31.839 -8.561 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.033 -31.376 -8.870 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.886 -32.978 -6.447 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.391 -31.304 -6.791 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.068 -31.722 -5.200 1.00 0.00 H new TER 889 LEU A 56 ATOM 890 P U B 517 -0.775 3.597 -27.884 1.00 0.00 P ATOM 891 OP1 U B 517 -0.930 5.033 -28.205 1.00 0.00 O ATOM 892 OP2 U B 517 -0.890 3.197 -26.464 1.00 0.00 O ATOM 893 O5' U B 517 -1.871 2.782 -28.717 1.00 0.00 O ATOM 894 C5' U B 517 -1.607 2.404 -30.066 1.00 0.00 C ATOM 895 C4' U B 517 -2.795 1.669 -30.643 1.00 0.00 C ATOM 896 O4' U B 517 -2.827 0.440 -29.895 1.00 0.00 O ATOM 897 C3' U B 517 -4.147 2.155 -30.130 1.00 0.00 C ATOM 898 O3' U B 517 -4.631 3.193 -30.980 1.00 0.00 O ATOM 899 C2' U B 517 -5.043 0.949 -30.168 1.00 0.00 C ATOM 900 O2' U B 517 -5.377 0.854 -31.535 1.00 0.00 O ATOM 901 C1' U B 517 -4.094 -0.127 -29.649 1.00 0.00 C ATOM 902 N1 U B 517 -4.274 -0.428 -28.213 1.00 0.00 N ATOM 903 C2 U B 517 -4.765 -1.662 -27.912 1.00 0.00 C ATOM 904 O2 U B 517 -5.051 -2.500 -28.752 1.00 0.00 O ATOM 905 N3 U B 517 -4.933 -1.943 -26.575 1.00 0.00 N ATOM 906 C4 U B 517 -4.636 -1.060 -25.569 1.00 0.00 C ATOM 907 O4 U B 517 -4.826 -1.420 -24.408 1.00 0.00 O ATOM 908 C5 U B 517 -4.128 0.214 -25.938 1.00 0.00 C ATOM 909 C6 U B 517 -3.972 0.467 -27.239 1.00 0.00 C ATOM 0 H5' U B 517 -0.722 1.769 -30.107 1.00 0.00 H new ATOM 0 H5'' U B 517 -1.392 3.289 -30.664 1.00 0.00 H new ATOM 0 H4' U B 517 -2.688 1.712 -31.727 1.00 0.00 H new ATOM 0 H3' U B 517 -4.095 2.569 -29.123 1.00 0.00 H new ATOM 0 H2' U B 517 -5.971 0.921 -29.597 1.00 0.00 H new ATOM 0 HO2' U B 517 -5.245 1.724 -31.965 1.00 0.00 H new ATOM 0 H1' U B 517 -4.259 -1.089 -30.135 1.00 0.00 H new ATOM 0 H3 U B 517 -5.299 -2.860 -26.318 1.00 0.00 H new ATOM 0 H5 U B 517 -3.877 0.953 -25.191 1.00 0.00 H new ATOM 0 H6 U B 517 -3.586 1.432 -27.531 1.00 0.00 H new ATOM 920 P U B 518 -4.171 4.707 -30.736 1.00 0.00 P ATOM 921 OP1 U B 518 -5.214 5.631 -31.232 1.00 0.00 O ATOM 922 OP2 U B 518 -2.793 4.896 -31.240 1.00 0.00 O ATOM 923 O5' U B 518 -4.132 4.818 -29.140 1.00 0.00 O ATOM 924 C5' U B 518 -4.601 6.000 -28.495 1.00 0.00 C ATOM 925 C4' U B 518 -6.106 5.961 -28.369 1.00 0.00 C ATOM 926 O4' U B 518 -6.513 4.672 -28.910 1.00 0.00 O ATOM 927 C3' U B 518 -6.613 5.554 -26.989 1.00 0.00 C ATOM 928 O3' U B 518 -6.607 6.690 -26.127 1.00 0.00 O ATOM 929 C2' U B 518 -8.008 5.039 -27.214 1.00 0.00 C ATOM 930 O2' U B 518 -8.776 6.222 -27.226 1.00 0.00 O ATOM 931 C1' U B 518 -7.843 4.351 -28.565 1.00 0.00 C ATOM 932 N1 U B 518 -8.041 2.888 -28.510 1.00 0.00 N ATOM 933 C2 U B 518 -9.096 2.396 -29.217 1.00 0.00 C ATOM 934 O2 U B 518 -9.856 3.091 -29.872 1.00 0.00 O ATOM 935 N3 U B 518 -9.283 1.033 -29.167 1.00 0.00 N ATOM 936 C4 U B 518 -8.476 0.181 -28.456 1.00 0.00 C ATOM 937 O4 U B 518 -8.738 -1.021 -28.484 1.00 0.00 O ATOM 938 C5 U B 518 -7.390 0.747 -27.737 1.00 0.00 C ATOM 939 C6 U B 518 -7.227 2.070 -27.799 1.00 0.00 C ATOM 0 H5' U B 518 -4.299 6.879 -29.065 1.00 0.00 H new ATOM 0 H5'' U B 518 -4.148 6.089 -27.508 1.00 0.00 H new ATOM 0 H4' U B 518 -6.435 6.926 -28.754 1.00 0.00 H new ATOM 0 H3' U B 518 -5.991 4.795 -26.515 1.00 0.00 H new ATOM 0 H2' U B 518 -8.472 4.349 -26.510 1.00 0.00 H new ATOM 0 HO2' U B 518 -8.284 6.936 -26.769 1.00 0.00 H new ATOM 0 H1' U B 518 -8.589 4.683 -29.287 1.00 0.00 H new ATOM 0 H3 U B 518 -10.065 0.634 -29.687 1.00 0.00 H new ATOM 0 H5 U B 518 -6.719 0.128 -27.160 1.00 0.00 H new ATOM 0 H6 U B 518 -6.405 2.511 -27.255 1.00 0.00 H new ATOM 950 P U B 519 -5.499 6.818 -24.980 1.00 0.00 P ATOM 951 OP1 U B 519 -4.603 7.958 -25.277 1.00 0.00 O ATOM 952 OP2 U B 519 -4.871 5.499 -24.745 1.00 0.00 O ATOM 953 O5' U B 519 -6.362 7.192 -23.686 1.00 0.00 O ATOM 954 C5' U B 519 -7.786 7.138 -23.739 1.00 0.00 C ATOM 955 C4' U B 519 -8.342 6.738 -22.391 1.00 0.00 C ATOM 956 O4' U B 519 -8.109 5.339 -22.152 1.00 0.00 O ATOM 957 C3' U B 519 -7.557 7.281 -21.200 1.00 0.00 C ATOM 958 O3' U B 519 -8.055 8.571 -20.851 1.00 0.00 O ATOM 959 C2' U B 519 -7.778 6.286 -20.093 1.00 0.00 C ATOM 960 O2' U B 519 -9.071 6.614 -19.636 1.00 0.00 O ATOM 961 C1' U B 519 -7.667 4.974 -20.863 1.00 0.00 C ATOM 962 N1 U B 519 -6.294 4.428 -20.904 1.00 0.00 N ATOM 963 C2 U B 519 -5.815 3.913 -19.739 1.00 0.00 C ATOM 964 O2 U B 519 -6.453 3.885 -18.698 1.00 0.00 O ATOM 965 N3 U B 519 -4.536 3.404 -19.774 1.00 0.00 N ATOM 966 C4 U B 519 -3.753 3.396 -20.901 1.00 0.00 C ATOM 967 O4 U B 519 -2.624 2.915 -20.817 1.00 0.00 O ATOM 968 C5 U B 519 -4.301 3.946 -22.090 1.00 0.00 C ATOM 969 C6 U B 519 -5.543 4.435 -22.033 1.00 0.00 C ATOM 0 H5' U B 519 -8.102 6.423 -24.498 1.00 0.00 H new ATOM 0 H5'' U B 519 -8.184 8.110 -24.031 1.00 0.00 H new ATOM 0 H4' U B 519 -9.373 7.086 -22.445 1.00 0.00 H new ATOM 0 H3' U B 519 -6.494 7.399 -21.410 1.00 0.00 H new ATOM 0 H2' U B 519 -7.118 6.254 -19.226 1.00 0.00 H new ATOM 0 HO2' U B 519 -9.310 7.512 -19.948 1.00 0.00 H new ATOM 0 H1' U B 519 -8.245 4.176 -20.398 1.00 0.00 H new ATOM 0 H3 U B 519 -4.150 3.012 -18.916 1.00 0.00 H new ATOM 0 H5 U B 519 -3.733 3.968 -23.009 1.00 0.00 H new ATOM 0 H6 U B 519 -5.970 4.857 -22.931 1.00 0.00 H new ATOM 980 P U B 520 -7.043 9.719 -20.384 1.00 0.00 P ATOM 981 OP1 U B 520 -5.866 9.742 -21.280 1.00 0.00 O ATOM 982 OP2 U B 520 -6.792 9.600 -18.929 1.00 0.00 O ATOM 983 O5' U B 520 -7.881 11.060 -20.632 1.00 0.00 O ATOM 984 C5' U B 520 -7.217 12.321 -20.653 1.00 0.00 C ATOM 985 C4' U B 520 -7.161 12.855 -22.067 1.00 0.00 C ATOM 986 O4' U B 520 -7.255 11.739 -23.002 1.00 0.00 O ATOM 987 C3' U B 520 -8.487 13.406 -22.585 1.00 0.00 C ATOM 988 O3' U B 520 -8.701 14.710 -22.048 1.00 0.00 O ATOM 989 C2' U B 520 -8.343 13.443 -24.081 1.00 0.00 C ATOM 990 O2' U B 520 -7.705 14.680 -24.301 1.00 0.00 O ATOM 991 C1' U B 520 -7.477 12.208 -24.314 1.00 0.00 C ATOM 992 N1 U B 520 -8.132 11.177 -25.146 1.00 0.00 N ATOM 993 C2 U B 520 -7.422 10.723 -26.215 1.00 0.00 C ATOM 994 O2 U B 520 -6.304 11.121 -26.503 1.00 0.00 O ATOM 995 N3 U B 520 -8.030 9.763 -26.992 1.00 0.00 N ATOM 996 C4 U B 520 -9.283 9.263 -26.737 1.00 0.00 C ATOM 997 O4 U B 520 -9.728 8.405 -27.499 1.00 0.00 O ATOM 998 C5 U B 520 -9.980 9.770 -25.610 1.00 0.00 C ATOM 999 C6 U B 520 -9.372 10.701 -24.871 1.00 0.00 C ATOM 0 H5' U B 520 -6.208 12.216 -20.255 1.00 0.00 H new ATOM 0 H5'' U B 520 -7.741 13.028 -20.010 1.00 0.00 H new ATOM 0 H4' U B 520 -6.302 13.525 -22.027 1.00 0.00 H new ATOM 0 H3' U B 520 -9.343 12.799 -22.291 1.00 0.00 H new ATOM 0 H2' U B 520 -9.218 13.401 -24.730 1.00 0.00 H new ATOM 0 HO2' U B 520 -7.644 15.172 -23.455 1.00 0.00 H new ATOM 0 H1' U B 520 -6.568 12.443 -24.868 1.00 0.00 H new ATOM 0 H3 U B 520 -7.522 9.404 -27.801 1.00 0.00 H new ATOM 0 H5 U B 520 -10.969 9.415 -25.359 1.00 0.00 H new ATOM 0 H6 U B 520 -9.894 11.095 -24.011 1.00 0.00 H new ATOM 1010 P G B 521 -10.084 15.468 -22.313 1.00 0.00 P ATOM 1011 OP1 G B 521 -10.417 15.408 -23.754 1.00 0.00 O ATOM 1012 OP2 G B 521 -10.052 16.802 -21.674 1.00 0.00 O ATOM 1013 O5' G B 521 -11.144 14.566 -21.523 1.00 0.00 O ATOM 1014 C5' G B 521 -12.473 15.042 -21.319 1.00 0.00 C ATOM 1015 C4' G B 521 -13.207 14.138 -20.355 1.00 0.00 C ATOM 1016 O4' G B 521 -13.095 12.765 -20.774 1.00 0.00 O ATOM 1017 C3' G B 521 -12.446 13.839 -19.067 1.00 0.00 C ATOM 1018 O3' G B 521 -12.547 14.957 -18.187 1.00 0.00 O ATOM 1019 C2' G B 521 -13.108 12.620 -18.488 1.00 0.00 C ATOM 1020 O2' G B 521 -14.089 13.173 -17.640 1.00 0.00 O ATOM 1021 C1' G B 521 -13.636 11.955 -19.756 1.00 0.00 C ATOM 1022 N9 G B 521 -13.205 10.549 -19.906 1.00 0.00 N ATOM 1023 C8 G B 521 -11.945 10.068 -19.858 1.00 0.00 C ATOM 1024 N7 G B 521 -11.891 8.751 -20.031 1.00 0.00 N ATOM 1025 C5 G B 521 -13.200 8.388 -20.197 1.00 0.00 C ATOM 1026 C6 G B 521 -13.801 7.131 -20.422 1.00 0.00 C ATOM 1027 O6 G B 521 -13.201 6.061 -20.511 1.00 0.00 O ATOM 1028 N1 G B 521 -15.156 7.098 -20.548 1.00 0.00 N ATOM 1029 C2 G B 521 -15.842 8.259 -20.453 1.00 0.00 C ATOM 1030 N2 G B 521 -17.149 8.061 -20.598 1.00 0.00 N ATOM 1031 N3 G B 521 -15.377 9.504 -20.243 1.00 0.00 N ATOM 1032 C4 G B 521 -14.020 9.470 -20.126 1.00 0.00 C ATOM 0 H5' G B 521 -13.004 15.080 -22.270 1.00 0.00 H new ATOM 0 H5'' G B 521 -12.447 16.059 -20.928 1.00 0.00 H new ATOM 0 H4' G B 521 -14.172 14.639 -20.278 1.00 0.00 H new ATOM 0 H3' G B 521 -11.383 13.661 -19.233 1.00 0.00 H new ATOM 0 H2' G B 521 -12.539 11.894 -17.907 1.00 0.00 H new ATOM 0 HO2' G B 521 -13.837 14.090 -17.402 1.00 0.00 H new ATOM 0 H1' G B 521 -14.724 11.892 -19.763 1.00 0.00 H new ATOM 0 H8 G B 521 -11.074 10.686 -19.696 1.00 0.00 H new ATOM 0 H1 G B 521 -15.643 6.217 -20.711 1.00 0.00 H new ATOM 0 H21 G B 521 -17.793 8.851 -20.549 1.00 0.00 H new ATOM 0 H22 G B 521 -17.508 7.120 -20.758 1.00 0.00 H new ATOM 1044 P C B 522 -11.341 15.306 -17.195 1.00 0.00 P ATOM 1045 OP1 C B 522 -11.873 15.934 -15.965 1.00 0.00 O ATOM 1046 OP2 C B 522 -10.284 16.034 -17.931 1.00 0.00 O ATOM 1047 O5' C B 522 -10.767 13.864 -16.805 1.00 0.00 O ATOM 1048 C5' C B 522 -11.290 13.171 -15.674 1.00 0.00 C ATOM 1049 C4' C B 522 -10.493 13.520 -14.436 1.00 0.00 C ATOM 1050 O4' C B 522 -11.524 13.789 -13.445 1.00 0.00 O ATOM 1051 C3' C B 522 -9.824 12.328 -13.760 1.00 0.00 C ATOM 1052 O3' C B 522 -8.456 12.265 -14.155 1.00 0.00 O ATOM 1053 C2' C B 522 -9.960 12.581 -12.284 1.00 0.00 C ATOM 1054 O2' C B 522 -8.951 13.536 -12.039 1.00 0.00 O ATOM 1055 C1' C B 522 -11.391 13.108 -12.217 1.00 0.00 C ATOM 1056 N1 C B 522 -12.405 12.041 -12.085 1.00 0.00 N ATOM 1057 C2 C B 522 -12.890 11.763 -10.808 1.00 0.00 C ATOM 1058 O2 C B 522 -12.454 12.416 -9.854 1.00 0.00 O ATOM 1059 N3 C B 522 -13.815 10.797 -10.663 1.00 0.00 N ATOM 1060 C4 C B 522 -14.270 10.111 -11.692 1.00 0.00 C ATOM 1061 N4 C B 522 -15.182 9.161 -11.527 1.00 0.00 N ATOM 1062 C5 C B 522 -13.784 10.380 -13.025 1.00 0.00 C ATOM 1063 C6 C B 522 -12.862 11.345 -13.155 1.00 0.00 C ATOM 0 H5' C B 522 -11.254 12.096 -15.848 1.00 0.00 H new ATOM 0 H5'' C B 522 -12.337 13.435 -15.528 1.00 0.00 H new ATOM 0 H4' C B 522 -9.763 14.279 -14.717 1.00 0.00 H new ATOM 0 H3' C B 522 -10.277 11.375 -14.035 1.00 0.00 H new ATOM 0 H2' C B 522 -9.835 11.774 -11.562 1.00 0.00 H new ATOM 0 HO2' C B 522 -8.278 13.491 -12.750 1.00 0.00 H new ATOM 0 H1' C B 522 -11.558 13.730 -11.338 1.00 0.00 H new ATOM 0 H41 C B 522 -15.525 8.638 -12.333 1.00 0.00 H new ATOM 0 H42 C B 522 -15.540 8.954 -10.594 1.00 0.00 H new ATOM 0 H5 C B 522 -14.147 9.828 -13.880 1.00 0.00 H new ATOM 0 H6 C B 522 -12.474 11.573 -14.137 1.00 0.00 H new ATOM 1075 P U B 523 -8.034 11.414 -15.444 1.00 0.00 P ATOM 1076 OP1 U B 523 -8.764 11.914 -16.631 1.00 0.00 O ATOM 1077 OP2 U B 523 -8.131 9.969 -15.141 1.00 0.00 O ATOM 1078 O5' U B 523 -6.487 11.778 -15.626 1.00 0.00 O ATOM 1079 C5' U B 523 -5.493 11.044 -14.914 1.00 0.00 C ATOM 1080 C4' U B 523 -4.118 11.581 -15.239 1.00 0.00 C ATOM 1081 O4' U B 523 -4.310 12.597 -16.248 1.00 0.00 O ATOM 1082 C3' U B 523 -3.587 12.603 -14.239 1.00 0.00 C ATOM 1083 O3' U B 523 -2.992 11.915 -13.128 1.00 0.00 O ATOM 1084 C2' U B 523 -2.570 13.409 -14.998 1.00 0.00 C ATOM 1085 O2' U B 523 -1.431 12.578 -14.970 1.00 0.00 O ATOM 1086 C1' U B 523 -3.259 13.532 -16.354 1.00 0.00 C ATOM 1087 N1 U B 523 -3.777 14.888 -16.631 1.00 0.00 N ATOM 1088 C2 U B 523 -3.068 15.634 -17.523 1.00 0.00 C ATOM 1089 O2 U B 523 -2.057 15.240 -18.084 1.00 0.00 O ATOM 1090 N3 U B 523 -3.550 16.897 -17.784 1.00 0.00 N ATOM 1091 C4 U B 523 -4.677 17.416 -17.198 1.00 0.00 C ATOM 1092 O4 U B 523 -5.014 18.558 -17.506 1.00 0.00 O ATOM 1093 C5 U B 523 -5.379 16.596 -16.276 1.00 0.00 C ATOM 1094 C6 U B 523 -4.895 15.375 -16.038 1.00 0.00 C ATOM 0 H5' U B 523 -5.551 9.988 -15.178 1.00 0.00 H new ATOM 0 H5'' U B 523 -5.676 11.115 -13.842 1.00 0.00 H new ATOM 0 H4' U B 523 -3.510 10.689 -15.390 1.00 0.00 H new ATOM 0 H3' U B 523 -4.367 13.247 -13.833 1.00 0.00 H new ATOM 0 H2' U B 523 -2.267 14.398 -14.654 1.00 0.00 H new ATOM 0 HO2' U B 523 -1.460 12.010 -14.172 1.00 0.00 H new ATOM 0 HO3' U B 523 -2.648 12.569 -12.484 1.00 0.00 H new ATOM 0 H1' U B 523 -2.573 13.346 -17.181 1.00 0.00 H new ATOM 0 H3 U B 523 -3.041 17.479 -18.450 1.00 0.00 H new ATOM 0 H5 U B 523 -6.274 16.948 -15.784 1.00 0.00 H new ATOM 0 H6 U B 523 -5.421 14.743 -15.338 1.00 0.00 H new TER 1105 U B 523 HETATM 1106 ZN ZN A 57 -14.025 -0.214 -23.163 1.00 0.00 ZN