USER MOD reduce.3.24.130724 H: found=0, std=0, add=378, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 381 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: B 34 HIS HE2 : B 34 HIS NE2 : B 55 ZNZN :(H bumps) USER MOD Single : A 1 DA O5' : rot 62:sc= 0.337 USER MOD Single : A 5 DC O3' : rot 180:sc= 0 USER MOD Single : B 19 SER OG : rot 180:sc= 0 USER MOD Single : B 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 25 GLN : amide:sc= -1.66! C(o=-1.7!,f=-3!) USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD Single : B 30 LYS NZ :NH3+ -176:sc= 1.35 (180deg=1.34) USER MOD Single : B 32 LYS NZ :NH3+ -169:sc=-0.000502 (180deg=-0.0916) USER MOD Single : B 37 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0324) USER MOD Single : B 41 LYS NZ :NH3+ -172:sc= 0.386 (180deg=0.301) USER MOD Single : B 42 LYS NZ :NH3+ -177:sc= 0.573 (180deg=0.561) USER MOD Single : B 52 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : B 53 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 -0.587 -7.595 1.068 1.00 0.00 O ATOM 2 C5' DA A 1 0.699 -7.624 1.647 1.00 0.00 C ATOM 3 C4' DA A 1 0.639 -7.234 3.131 1.00 0.00 C ATOM 4 O4' DA A 1 1.911 -7.475 3.718 1.00 0.00 O ATOM 5 C3' DA A 1 0.298 -5.759 3.370 1.00 0.00 C ATOM 6 O3' DA A 1 -0.275 -5.591 4.660 1.00 0.00 O ATOM 7 C2' DA A 1 1.702 -5.197 3.353 1.00 0.00 C ATOM 8 C1' DA A 1 2.425 -6.244 4.187 1.00 0.00 C ATOM 9 N9 DA A 1 3.891 -6.175 4.032 1.00 0.00 N ATOM 10 C8 DA A 1 4.617 -5.943 2.894 1.00 0.00 C ATOM 11 N7 DA A 1 5.908 -5.936 3.070 1.00 0.00 N ATOM 12 C5 DA A 1 6.052 -6.187 4.430 1.00 0.00 C ATOM 13 C6 DA A 1 7.177 -6.296 5.275 1.00 0.00 C ATOM 14 N6 DA A 1 8.433 -6.155 4.835 1.00 0.00 N ATOM 15 N1 DA A 1 6.976 -6.551 6.583 1.00 0.00 N ATOM 16 C2 DA A 1 5.728 -6.682 7.029 1.00 0.00 C ATOM 17 N3 DA A 1 4.591 -6.597 6.343 1.00 0.00 N ATOM 18 C4 DA A 1 4.825 -6.340 5.027 1.00 0.00 C ATOM 0 H5' DA A 1 1.358 -6.940 1.113 1.00 0.00 H new ATOM 0 H5'' DA A 1 1.126 -8.622 1.546 1.00 0.00 H new ATOM 0 H4' DA A 1 -0.155 -7.835 3.575 1.00 0.00 H new ATOM 0 H3' DA A 1 -0.409 -5.312 2.670 1.00 0.00 H new ATOM 0 H2' DA A 1 2.106 -5.119 2.344 1.00 0.00 H new ATOM 0 H2'' DA A 1 1.757 -4.203 3.796 1.00 0.00 H new ATOM 0 HO5' DA A 1 -0.949 -6.686 1.121 1.00 0.00 H new ATOM 0 H1' DA A 1 2.257 -6.097 5.254 1.00 0.00 H new ATOM 0 H8 DA A 1 4.157 -5.779 1.930 1.00 0.00 H new ATOM 0 H61 DA A 1 9.214 -6.243 5.485 1.00 0.00 H new ATOM 0 H62 DA A 1 8.609 -5.960 3.849 1.00 0.00 H new ATOM 0 H2 DA A 1 5.625 -6.883 8.085 1.00 0.00 H new ATOM 31 P DC A 2 -1.738 -4.944 4.873 1.00 0.00 P ATOM 32 OP1 DC A 2 -2.117 -5.094 6.296 1.00 0.00 O ATOM 33 OP2 DC A 2 -2.636 -5.484 3.829 1.00 0.00 O ATOM 34 O5' DC A 2 -1.487 -3.376 4.571 1.00 0.00 O ATOM 35 C5' DC A 2 -1.229 -2.413 5.585 1.00 0.00 C ATOM 36 C4' DC A 2 -0.009 -2.735 6.462 1.00 0.00 C ATOM 37 O4' DC A 2 1.146 -2.991 5.695 1.00 0.00 O ATOM 38 C3' DC A 2 0.407 -1.556 7.346 1.00 0.00 C ATOM 39 O3' DC A 2 -0.214 -1.602 8.618 1.00 0.00 O ATOM 40 C2' DC A 2 1.929 -1.713 7.441 1.00 0.00 C ATOM 41 C1' DC A 2 2.221 -2.955 6.609 1.00 0.00 C ATOM 42 N1 DC A 2 3.566 -2.884 5.976 1.00 0.00 N ATOM 43 C2 DC A 2 4.670 -3.322 6.712 1.00 0.00 C ATOM 44 O2 DC A 2 4.546 -3.704 7.874 1.00 0.00 O ATOM 45 N3 DC A 2 5.895 -3.323 6.109 1.00 0.00 N ATOM 46 C4 DC A 2 6.048 -2.902 4.846 1.00 0.00 C ATOM 47 N4 DC A 2 7.266 -2.948 4.295 1.00 0.00 N ATOM 48 C5 DC A 2 4.934 -2.406 4.089 1.00 0.00 C ATOM 49 C6 DC A 2 3.727 -2.399 4.704 1.00 0.00 C ATOM 0 H5' DC A 2 -2.109 -2.328 6.223 1.00 0.00 H new ATOM 0 H5'' DC A 2 -1.080 -1.440 5.117 1.00 0.00 H new ATOM 0 H4' DC A 2 -0.330 -3.599 7.044 1.00 0.00 H new ATOM 0 H3' DC A 2 0.106 -0.591 6.938 1.00 0.00 H new ATOM 0 H2' DC A 2 2.446 -0.838 7.048 1.00 0.00 H new ATOM 0 H2'' DC A 2 2.254 -1.838 8.474 1.00 0.00 H new ATOM 0 H1' DC A 2 2.276 -3.877 7.188 1.00 0.00 H new ATOM 0 H41 DC A 2 7.404 -2.632 3.335 1.00 0.00 H new ATOM 0 H42 DC A 2 8.057 -3.299 4.835 1.00 0.00 H new ATOM 0 H5 DC A 2 5.053 -2.054 3.075 1.00 0.00 H new ATOM 0 H6 DC A 2 2.871 -2.002 4.179 1.00 0.00 H new ATOM 61 P DG A 3 -0.344 -0.276 9.532 1.00 0.00 P ATOM 62 OP1 DG A 3 -0.846 -0.673 10.866 1.00 0.00 O ATOM 63 OP2 DG A 3 -1.078 0.744 8.746 1.00 0.00 O ATOM 64 O5' DG A 3 1.190 0.206 9.692 1.00 0.00 O ATOM 65 C5' DG A 3 1.515 1.563 9.917 1.00 0.00 C ATOM 66 C4' DG A 3 3.010 1.824 9.668 1.00 0.00 C ATOM 67 O4' DG A 3 3.377 1.190 8.451 1.00 0.00 O ATOM 68 C3' DG A 3 3.205 3.334 9.477 1.00 0.00 C ATOM 69 O3' DG A 3 4.421 3.901 9.969 1.00 0.00 O ATOM 70 C2' DG A 3 2.983 3.485 7.981 1.00 0.00 C ATOM 71 C1' DG A 3 3.498 2.152 7.420 1.00 0.00 C ATOM 72 N9 DG A 3 2.815 1.695 6.185 1.00 0.00 N ATOM 73 C8 DG A 3 1.474 1.641 5.896 1.00 0.00 C ATOM 74 N7 DG A 3 1.205 1.292 4.667 1.00 0.00 N ATOM 75 C5 DG A 3 2.456 1.084 4.097 1.00 0.00 C ATOM 76 C6 DG A 3 2.816 0.767 2.752 1.00 0.00 C ATOM 77 O6 DG A 3 2.080 0.656 1.775 1.00 0.00 O ATOM 78 N1 DG A 3 4.191 0.612 2.588 1.00 0.00 N ATOM 79 C2 DG A 3 5.115 0.746 3.608 1.00 0.00 C ATOM 80 N2 DG A 3 6.397 0.536 3.296 1.00 0.00 N ATOM 81 N3 DG A 3 4.782 1.073 4.866 1.00 0.00 N ATOM 82 C4 DG A 3 3.442 1.252 5.041 1.00 0.00 C ATOM 0 H5' DG A 3 1.261 1.836 10.941 1.00 0.00 H new ATOM 0 H5'' DG A 3 0.918 2.197 9.261 1.00 0.00 H new ATOM 0 H4' DG A 3 3.606 1.450 10.500 1.00 0.00 H new ATOM 0 H3' DG A 3 2.517 3.915 10.091 1.00 0.00 H new ATOM 0 H2' DG A 3 1.931 3.644 7.743 1.00 0.00 H new ATOM 0 H2'' DG A 3 3.533 4.334 7.575 1.00 0.00 H new ATOM 0 H1' DG A 3 4.534 2.293 7.113 1.00 0.00 H new ATOM 0 H8 DG A 3 0.708 1.868 6.623 1.00 0.00 H new ATOM 0 H1 DG A 3 4.538 0.385 1.656 1.00 0.00 H new ATOM 0 H21 DG A 3 7.117 0.623 4.013 1.00 0.00 H new ATOM 0 H22 DG A 3 6.655 0.289 2.341 1.00 0.00 H new ATOM 94 P DC A 4 5.920 3.651 9.384 1.00 0.00 P ATOM 95 OP1 DC A 4 6.072 2.217 9.057 1.00 0.00 O ATOM 96 OP2 DC A 4 6.855 4.258 10.355 1.00 0.00 O ATOM 97 O5' DC A 4 6.040 4.516 8.008 1.00 0.00 O ATOM 98 C5' DC A 4 7.163 4.343 7.155 1.00 0.00 C ATOM 99 C4' DC A 4 7.431 5.471 6.140 1.00 0.00 C ATOM 100 O4' DC A 4 6.531 5.530 5.053 1.00 0.00 O ATOM 101 C3' DC A 4 7.478 6.887 6.726 1.00 0.00 C ATOM 102 O3' DC A 4 8.820 7.342 6.803 1.00 0.00 O ATOM 103 C2' DC A 4 6.695 7.710 5.696 1.00 0.00 C ATOM 104 C1' DC A 4 6.720 6.802 4.469 1.00 0.00 C ATOM 105 N1 DC A 4 5.720 7.112 3.399 1.00 0.00 N ATOM 106 C2 DC A 4 6.167 7.298 2.083 1.00 0.00 C ATOM 107 O2 DC A 4 7.360 7.437 1.822 1.00 0.00 O ATOM 108 N3 DC A 4 5.245 7.314 1.079 1.00 0.00 N ATOM 109 C4 DC A 4 3.934 7.222 1.336 1.00 0.00 C ATOM 110 N4 DC A 4 3.079 7.161 0.310 1.00 0.00 N ATOM 111 C5 DC A 4 3.446 7.198 2.685 1.00 0.00 C ATOM 112 C6 DC A 4 4.375 7.157 3.675 1.00 0.00 C ATOM 0 H5' DC A 4 7.034 3.411 6.604 1.00 0.00 H new ATOM 0 H5'' DC A 4 8.050 4.225 7.777 1.00 0.00 H new ATOM 0 H4' DC A 4 8.422 5.175 5.796 1.00 0.00 H new ATOM 0 H3' DC A 4 7.070 6.954 7.735 1.00 0.00 H new ATOM 0 H2' DC A 4 5.678 7.917 6.029 1.00 0.00 H new ATOM 0 H2'' DC A 4 7.168 8.672 5.500 1.00 0.00 H new ATOM 0 H1' DC A 4 7.644 6.914 3.902 1.00 0.00 H new ATOM 0 H41 DC A 4 2.077 7.091 0.485 1.00 0.00 H new ATOM 0 H42 DC A 4 3.429 7.185 -0.648 1.00 0.00 H new ATOM 0 H5 DC A 4 2.388 7.212 2.903 1.00 0.00 H new ATOM 0 H6 DC A 4 4.048 7.160 4.704 1.00 0.00 H new ATOM 124 P DC A 5 9.850 6.747 7.899 1.00 0.00 P ATOM 125 OP1 DC A 5 10.419 5.489 7.356 1.00 0.00 O ATOM 126 OP2 DC A 5 9.163 6.723 9.206 1.00 0.00 O ATOM 127 O5' DC A 5 11.052 7.830 7.994 1.00 0.00 O ATOM 128 C5' DC A 5 10.936 9.185 7.582 1.00 0.00 C ATOM 129 C4' DC A 5 9.960 10.060 8.386 1.00 0.00 C ATOM 130 O4' DC A 5 8.613 9.807 8.055 1.00 0.00 O ATOM 131 C3' DC A 5 10.020 9.914 9.905 1.00 0.00 C ATOM 132 O3' DC A 5 11.135 10.579 10.458 1.00 0.00 O ATOM 133 C2' DC A 5 8.707 10.587 10.295 1.00 0.00 C ATOM 134 C1' DC A 5 7.792 10.327 9.084 1.00 0.00 C ATOM 135 N1 DC A 5 6.665 9.370 9.291 1.00 0.00 N ATOM 136 C2 DC A 5 5.522 9.530 8.499 1.00 0.00 C ATOM 137 O2 DC A 5 5.439 10.440 7.676 1.00 0.00 O ATOM 138 N3 DC A 5 4.492 8.647 8.645 1.00 0.00 N ATOM 139 C4 DC A 5 4.566 7.636 9.521 1.00 0.00 C ATOM 140 N4 DC A 5 3.528 6.799 9.617 1.00 0.00 N ATOM 141 C5 DC A 5 5.727 7.446 10.342 1.00 0.00 C ATOM 142 C6 DC A 5 6.744 8.328 10.187 1.00 0.00 C ATOM 0 H5' DC A 5 10.627 9.200 6.537 1.00 0.00 H new ATOM 0 H5'' DC A 5 11.924 9.643 7.629 1.00 0.00 H new ATOM 0 H4' DC A 5 10.293 11.059 8.105 1.00 0.00 H new ATOM 0 H3' DC A 5 10.131 8.889 10.258 1.00 0.00 H new ATOM 0 H2' DC A 5 8.294 10.160 11.209 1.00 0.00 H new ATOM 0 H2'' DC A 5 8.841 11.654 10.474 1.00 0.00 H new ATOM 0 HO3' DC A 5 11.136 10.463 11.431 1.00 0.00 H new ATOM 0 H1' DC A 5 7.315 11.281 8.859 1.00 0.00 H new ATOM 0 H41 DC A 5 3.559 6.021 10.276 1.00 0.00 H new ATOM 0 H42 DC A 5 2.705 6.938 9.031 1.00 0.00 H new ATOM 0 H5 DC A 5 5.788 6.635 11.053 1.00 0.00 H new ATOM 0 H6 DC A 5 7.638 8.211 10.781 1.00 0.00 H new TER 155 DC A 5 ATOM 156 N GLY B 14 20.518 -13.929 3.319 1.00 0.00 N ATOM 157 CA GLY B 14 20.203 -12.782 2.449 1.00 0.00 C ATOM 158 C GLY B 14 20.490 -13.083 0.980 1.00 0.00 C ATOM 159 O GLY B 14 21.058 -14.127 0.665 1.00 0.00 O ATOM 0 HA2 GLY B 14 19.152 -12.516 2.566 1.00 0.00 H new ATOM 0 HA3 GLY B 14 20.788 -11.917 2.763 1.00 0.00 H new ATOM 165 N GLU B 15 20.093 -12.164 0.092 1.00 0.00 N ATOM 166 CA GLU B 15 20.273 -12.284 -1.347 1.00 0.00 C ATOM 167 C GLU B 15 20.281 -10.877 -1.952 1.00 0.00 C ATOM 168 O GLU B 15 19.617 -9.979 -1.433 1.00 0.00 O ATOM 169 CB GLU B 15 19.143 -13.153 -1.928 1.00 0.00 C ATOM 170 CG GLU B 15 19.383 -13.528 -3.398 1.00 0.00 C ATOM 171 CD GLU B 15 18.289 -14.425 -3.980 1.00 0.00 C ATOM 172 OE1 GLU B 15 17.291 -14.687 -3.272 1.00 0.00 O ATOM 173 OE2 GLU B 15 18.458 -14.823 -5.152 1.00 0.00 O ATOM 0 H GLU B 15 19.628 -11.299 0.367 1.00 0.00 H new ATOM 0 HA GLU B 15 21.219 -12.769 -1.587 1.00 0.00 H new ATOM 0 HB2 GLU B 15 19.048 -14.063 -1.336 1.00 0.00 H new ATOM 0 HB3 GLU B 15 18.197 -12.617 -1.843 1.00 0.00 H new ATOM 0 HG2 GLU B 15 19.450 -12.617 -3.992 1.00 0.00 H new ATOM 0 HG3 GLU B 15 20.344 -14.036 -3.484 1.00 0.00 H new ATOM 180 N ARG B 16 21.030 -10.690 -3.047 1.00 0.00 N ATOM 181 CA ARG B 16 21.052 -9.458 -3.830 1.00 0.00 C ATOM 182 C ARG B 16 19.766 -9.372 -4.660 1.00 0.00 C ATOM 183 O ARG B 16 19.782 -9.533 -5.879 1.00 0.00 O ATOM 184 CB ARG B 16 22.334 -9.384 -4.680 1.00 0.00 C ATOM 185 CG ARG B 16 22.650 -10.661 -5.478 1.00 0.00 C ATOM 186 CD ARG B 16 23.807 -10.413 -6.449 1.00 0.00 C ATOM 187 NE ARG B 16 24.120 -11.629 -7.212 1.00 0.00 N ATOM 188 CZ ARG B 16 25.080 -11.724 -8.147 1.00 0.00 C ATOM 189 NH1 ARG B 16 25.847 -10.667 -8.450 1.00 0.00 N ATOM 190 NH2 ARG B 16 25.271 -12.887 -8.783 1.00 0.00 N ATOM 0 H ARG B 16 21.650 -11.411 -3.417 1.00 0.00 H new ATOM 0 HA ARG B 16 21.077 -8.588 -3.174 1.00 0.00 H new ATOM 0 HB2 ARG B 16 22.245 -8.550 -5.376 1.00 0.00 H new ATOM 0 HB3 ARG B 16 23.176 -9.164 -4.024 1.00 0.00 H new ATOM 0 HG2 ARG B 16 22.908 -11.470 -4.794 1.00 0.00 H new ATOM 0 HG3 ARG B 16 21.766 -10.980 -6.030 1.00 0.00 H new ATOM 0 HD2 ARG B 16 23.546 -9.606 -7.134 1.00 0.00 H new ATOM 0 HD3 ARG B 16 24.688 -10.089 -5.896 1.00 0.00 H new ATOM 0 HE ARG B 16 23.567 -12.464 -7.017 1.00 0.00 H new ATOM 0 HH11 ARG B 16 25.705 -9.779 -7.969 1.00 0.00 H new ATOM 0 HH12 ARG B 16 26.573 -10.751 -9.162 1.00 0.00 H new ATOM 0 HH21 ARG B 16 24.689 -13.694 -8.556 1.00 0.00 H new ATOM 0 HH22 ARG B 16 25.998 -12.966 -9.494 1.00 0.00 H new ATOM 204 N ARG B 17 18.643 -9.130 -3.975 1.00 0.00 N ATOM 205 CA ARG B 17 17.306 -9.241 -4.533 1.00 0.00 C ATOM 206 C ARG B 17 16.371 -8.310 -3.762 1.00 0.00 C ATOM 207 O ARG B 17 15.667 -8.738 -2.849 1.00 0.00 O ATOM 208 CB ARG B 17 16.915 -10.719 -4.414 1.00 0.00 C ATOM 209 CG ARG B 17 15.557 -11.111 -5.003 1.00 0.00 C ATOM 210 CD ARG B 17 15.452 -12.625 -4.805 1.00 0.00 C ATOM 211 NE ARG B 17 14.197 -13.197 -5.295 1.00 0.00 N ATOM 212 CZ ARG B 17 13.917 -14.509 -5.207 1.00 0.00 C ATOM 213 NH1 ARG B 17 14.789 -15.357 -4.637 1.00 0.00 N ATOM 214 NH2 ARG B 17 12.759 -14.974 -5.692 1.00 0.00 N ATOM 0 H ARG B 17 18.647 -8.846 -2.995 1.00 0.00 H new ATOM 0 HA ARG B 17 17.248 -8.940 -5.579 1.00 0.00 H new ATOM 0 HB2 ARG B 17 17.685 -11.317 -4.902 1.00 0.00 H new ATOM 0 HB3 ARG B 17 16.921 -10.991 -3.358 1.00 0.00 H new ATOM 0 HG2 ARG B 17 14.744 -10.591 -4.497 1.00 0.00 H new ATOM 0 HG3 ARG B 17 15.495 -10.847 -6.059 1.00 0.00 H new ATOM 0 HD2 ARG B 17 16.285 -13.108 -5.316 1.00 0.00 H new ATOM 0 HD3 ARG B 17 15.554 -12.852 -3.744 1.00 0.00 H new ATOM 0 HE ARG B 17 13.508 -12.576 -5.720 1.00 0.00 H new ATOM 0 HH11 ARG B 17 15.673 -15.007 -4.266 1.00 0.00 H new ATOM 0 HH12 ARG B 17 14.568 -16.351 -4.575 1.00 0.00 H new ATOM 0 HH21 ARG B 17 12.094 -14.334 -6.126 1.00 0.00 H new ATOM 0 HH22 ARG B 17 12.542 -15.969 -5.628 1.00 0.00 H new ATOM 228 N ARG B 18 16.381 -7.023 -4.130 1.00 0.00 N ATOM 229 CA ARG B 18 15.563 -5.992 -3.512 1.00 0.00 C ATOM 230 C ARG B 18 15.393 -4.841 -4.503 1.00 0.00 C ATOM 231 O ARG B 18 16.369 -4.394 -5.102 1.00 0.00 O ATOM 232 CB ARG B 18 16.231 -5.518 -2.210 1.00 0.00 C ATOM 233 CG ARG B 18 15.519 -4.336 -1.535 1.00 0.00 C ATOM 234 CD ARG B 18 14.090 -4.674 -1.100 1.00 0.00 C ATOM 235 NE ARG B 18 13.454 -3.520 -0.454 1.00 0.00 N ATOM 236 CZ ARG B 18 12.189 -3.498 -0.007 1.00 0.00 C ATOM 237 NH1 ARG B 18 11.400 -4.576 -0.102 1.00 0.00 N ATOM 238 NH2 ARG B 18 11.701 -2.380 0.539 1.00 0.00 N ATOM 0 H ARG B 18 16.973 -6.670 -4.882 1.00 0.00 H new ATOM 0 HA ARG B 18 14.578 -6.384 -3.259 1.00 0.00 H new ATOM 0 HB2 ARG B 18 16.271 -6.352 -1.510 1.00 0.00 H new ATOM 0 HB3 ARG B 18 17.261 -5.233 -2.425 1.00 0.00 H new ATOM 0 HG2 ARG B 18 16.094 -4.021 -0.664 1.00 0.00 H new ATOM 0 HG3 ARG B 18 15.494 -3.491 -2.224 1.00 0.00 H new ATOM 0 HD2 ARG B 18 13.504 -4.980 -1.967 1.00 0.00 H new ATOM 0 HD3 ARG B 18 14.105 -5.519 -0.412 1.00 0.00 H new ATOM 0 HE ARG B 18 14.013 -2.675 -0.336 1.00 0.00 H new ATOM 0 HH11 ARG B 18 11.758 -5.435 -0.520 1.00 0.00 H new ATOM 0 HH12 ARG B 18 10.441 -4.538 0.244 1.00 0.00 H new ATOM 0 HH21 ARG B 18 12.289 -1.550 0.614 1.00 0.00 H new ATOM 0 HH22 ARG B 18 10.740 -2.357 0.881 1.00 0.00 H new ATOM 252 N SER B 19 14.152 -4.365 -4.665 1.00 0.00 N ATOM 253 CA SER B 19 13.819 -3.227 -5.507 1.00 0.00 C ATOM 254 C SER B 19 12.457 -2.672 -5.086 1.00 0.00 C ATOM 255 O SER B 19 12.370 -1.548 -4.594 1.00 0.00 O ATOM 256 CB SER B 19 13.839 -3.646 -6.984 1.00 0.00 C ATOM 257 OG SER B 19 13.489 -2.554 -7.808 1.00 0.00 O ATOM 0 H SER B 19 13.340 -4.774 -4.202 1.00 0.00 H new ATOM 0 HA SER B 19 14.559 -2.436 -5.384 1.00 0.00 H new ATOM 0 HB2 SER B 19 14.831 -4.010 -7.252 1.00 0.00 H new ATOM 0 HB3 SER B 19 13.143 -4.469 -7.145 1.00 0.00 H new ATOM 0 HG SER B 19 13.507 -2.834 -8.747 1.00 0.00 H new ATOM 263 N GLN B 20 11.398 -3.466 -5.282 1.00 0.00 N ATOM 264 CA GLN B 20 10.020 -3.062 -5.039 1.00 0.00 C ATOM 265 C GLN B 20 9.634 -3.243 -3.567 1.00 0.00 C ATOM 266 O GLN B 20 10.427 -3.710 -2.752 1.00 0.00 O ATOM 267 CB GLN B 20 9.093 -3.868 -5.963 1.00 0.00 C ATOM 268 CG GLN B 20 9.344 -3.535 -7.438 1.00 0.00 C ATOM 269 CD GLN B 20 8.331 -4.238 -8.337 1.00 0.00 C ATOM 270 OE1 GLN B 20 7.381 -3.619 -8.810 1.00 0.00 O ATOM 271 NE2 GLN B 20 8.528 -5.536 -8.573 1.00 0.00 N ATOM 0 H GLN B 20 11.483 -4.424 -5.620 1.00 0.00 H new ATOM 0 HA GLN B 20 9.915 -2.000 -5.261 1.00 0.00 H new ATOM 0 HB2 GLN B 20 9.250 -4.934 -5.798 1.00 0.00 H new ATOM 0 HB3 GLN B 20 8.054 -3.656 -5.713 1.00 0.00 H new ATOM 0 HG2 GLN B 20 9.281 -2.457 -7.587 1.00 0.00 H new ATOM 0 HG3 GLN B 20 10.354 -3.837 -7.716 1.00 0.00 H new ATOM 0 HE21 GLN B 20 9.330 -6.013 -8.161 1.00 0.00 H new ATOM 0 HE22 GLN B 20 7.877 -6.051 -9.166 1.00 0.00 H new ATOM 280 N LEU B 21 8.386 -2.880 -3.252 1.00 0.00 N ATOM 281 CA LEU B 21 7.725 -3.046 -1.974 1.00 0.00 C ATOM 282 C LEU B 21 8.446 -2.317 -0.835 1.00 0.00 C ATOM 283 O LEU B 21 8.975 -2.944 0.083 1.00 0.00 O ATOM 284 CB LEU B 21 7.459 -4.542 -1.727 1.00 0.00 C ATOM 285 CG LEU B 21 6.035 -4.724 -1.200 1.00 0.00 C ATOM 286 CD1 LEU B 21 5.675 -6.210 -1.080 1.00 0.00 C ATOM 287 CD2 LEU B 21 5.866 -4.055 0.167 1.00 0.00 C ATOM 0 H LEU B 21 7.778 -2.433 -3.938 1.00 0.00 H new ATOM 0 HA LEU B 21 6.753 -2.554 -2.001 1.00 0.00 H new ATOM 0 HB2 LEU B 21 7.591 -5.104 -2.652 1.00 0.00 H new ATOM 0 HB3 LEU B 21 8.178 -4.937 -1.009 1.00 0.00 H new ATOM 0 HG LEU B 21 5.364 -4.251 -1.917 1.00 0.00 H new ATOM 0 HD11 LEU B 21 4.657 -6.308 -0.703 1.00 0.00 H new ATOM 0 HD12 LEU B 21 5.746 -6.682 -2.060 1.00 0.00 H new ATOM 0 HD13 LEU B 21 6.366 -6.697 -0.392 1.00 0.00 H new ATOM 0 HD21 LEU B 21 4.845 -4.199 0.519 1.00 0.00 H new ATOM 0 HD22 LEU B 21 6.561 -4.500 0.879 1.00 0.00 H new ATOM 0 HD23 LEU B 21 6.072 -2.988 0.078 1.00 0.00 H new ATOM 299 N ASP B 22 8.424 -0.979 -0.893 1.00 0.00 N ATOM 300 CA ASP B 22 8.997 -0.088 0.110 1.00 0.00 C ATOM 301 C ASP B 22 7.981 1.010 0.453 1.00 0.00 C ATOM 302 O ASP B 22 6.776 0.797 0.316 1.00 0.00 O ATOM 303 CB ASP B 22 10.325 0.474 -0.427 1.00 0.00 C ATOM 304 CG ASP B 22 11.347 0.727 0.685 1.00 0.00 C ATOM 305 OD1 ASP B 22 10.952 1.297 1.726 1.00 0.00 O ATOM 306 OD2 ASP B 22 12.507 0.297 0.498 1.00 0.00 O ATOM 0 H ASP B 22 7.991 -0.476 -1.667 1.00 0.00 H new ATOM 0 HA ASP B 22 9.215 -0.622 1.035 1.00 0.00 H new ATOM 0 HB2 ASP B 22 10.745 -0.225 -1.150 1.00 0.00 H new ATOM 0 HB3 ASP B 22 10.133 1.406 -0.958 1.00 0.00 H new ATOM 311 N ARG B 23 8.452 2.177 0.913 1.00 0.00 N ATOM 312 CA ARG B 23 7.602 3.314 1.239 1.00 0.00 C ATOM 313 C ARG B 23 7.017 3.943 -0.026 1.00 0.00 C ATOM 314 O ARG B 23 5.885 4.413 -0.027 1.00 0.00 O ATOM 315 CB ARG B 23 8.368 4.406 1.995 1.00 0.00 C ATOM 316 CG ARG B 23 9.431 3.972 3.004 1.00 0.00 C ATOM 317 CD ARG B 23 8.936 2.947 4.028 1.00 0.00 C ATOM 318 NE ARG B 23 9.742 3.029 5.252 1.00 0.00 N ATOM 319 CZ ARG B 23 11.049 2.742 5.344 1.00 0.00 C ATOM 320 NH1 ARG B 23 11.686 2.072 4.371 1.00 0.00 N ATOM 321 NH2 ARG B 23 11.722 3.156 6.425 1.00 0.00 N ATOM 0 H ARG B 23 9.445 2.353 1.068 1.00 0.00 H new ATOM 0 HA ARG B 23 6.806 2.924 1.873 1.00 0.00 H new ATOM 0 HB2 ARG B 23 8.851 5.047 1.257 1.00 0.00 H new ATOM 0 HB3 ARG B 23 7.639 5.021 2.523 1.00 0.00 H new ATOM 0 HG2 ARG B 23 10.279 3.551 2.464 1.00 0.00 H new ATOM 0 HG3 ARG B 23 9.796 4.852 3.533 1.00 0.00 H new ATOM 0 HD2 ARG B 23 7.887 3.131 4.261 1.00 0.00 H new ATOM 0 HD3 ARG B 23 8.998 1.943 3.609 1.00 0.00 H new ATOM 0 HE ARG B 23 9.268 3.329 6.104 1.00 0.00 H new ATOM 0 HH11 ARG B 23 11.176 1.771 3.541 1.00 0.00 H new ATOM 0 HH12 ARG B 23 12.681 1.864 4.462 1.00 0.00 H new ATOM 0 HH21 ARG B 23 11.240 3.678 7.157 1.00 0.00 H new ATOM 0 HH22 ARG B 23 12.717 2.949 6.517 1.00 0.00 H new ATOM 335 N ASP B 24 7.825 3.976 -1.088 1.00 0.00 N ATOM 336 CA ASP B 24 7.551 4.602 -2.372 1.00 0.00 C ATOM 337 C ASP B 24 6.190 4.202 -2.948 1.00 0.00 C ATOM 338 O ASP B 24 5.535 5.014 -3.598 1.00 0.00 O ATOM 339 CB ASP B 24 8.669 4.198 -3.342 1.00 0.00 C ATOM 340 CG ASP B 24 10.048 4.621 -2.842 1.00 0.00 C ATOM 341 OD1 ASP B 24 10.544 3.950 -1.911 1.00 0.00 O ATOM 342 OD2 ASP B 24 10.578 5.609 -3.396 1.00 0.00 O ATOM 0 H ASP B 24 8.745 3.537 -1.067 1.00 0.00 H new ATOM 0 HA ASP B 24 7.519 5.682 -2.230 1.00 0.00 H new ATOM 0 HB2 ASP B 24 8.652 3.117 -3.484 1.00 0.00 H new ATOM 0 HB3 ASP B 24 8.483 4.650 -4.316 1.00 0.00 H new ATOM 347 N GLN B 25 5.791 2.942 -2.734 1.00 0.00 N ATOM 348 CA GLN B 25 4.621 2.331 -3.350 1.00 0.00 C ATOM 349 C GLN B 25 3.722 1.665 -2.306 1.00 0.00 C ATOM 350 O GLN B 25 4.150 1.397 -1.183 1.00 0.00 O ATOM 351 CB GLN B 25 5.102 1.305 -4.383 1.00 0.00 C ATOM 352 CG GLN B 25 6.125 0.334 -3.776 1.00 0.00 C ATOM 353 CD GLN B 25 6.355 -0.874 -4.673 1.00 0.00 C ATOM 354 OE1 GLN B 25 7.383 -0.974 -5.336 1.00 0.00 O ATOM 355 NE2 GLN B 25 5.418 -1.821 -4.671 1.00 0.00 N ATOM 0 H GLN B 25 6.290 2.308 -2.110 1.00 0.00 H new ATOM 0 HA GLN B 25 4.024 3.103 -3.836 1.00 0.00 H new ATOM 0 HB2 GLN B 25 4.249 0.745 -4.765 1.00 0.00 H new ATOM 0 HB3 GLN B 25 5.549 1.823 -5.231 1.00 0.00 H new ATOM 0 HG2 GLN B 25 7.070 0.854 -3.616 1.00 0.00 H new ATOM 0 HG3 GLN B 25 5.775 0.001 -2.799 1.00 0.00 H new ATOM 0 HE21 GLN B 25 4.576 -1.704 -4.108 1.00 0.00 H new ATOM 0 HE22 GLN B 25 5.543 -2.663 -5.233 1.00 0.00 H new ATOM 364 N CYS B 26 2.479 1.367 -2.706 1.00 0.00 N ATOM 365 CA CYS B 26 1.550 0.552 -1.935 1.00 0.00 C ATOM 366 C CYS B 26 2.161 -0.823 -1.679 1.00 0.00 C ATOM 367 O CYS B 26 2.710 -1.451 -2.580 1.00 0.00 O ATOM 368 CB CYS B 26 0.226 0.426 -2.698 1.00 0.00 C ATOM 369 SG CYS B 26 -1.047 -0.611 -1.945 1.00 0.00 S ATOM 0 H CYS B 26 2.091 1.694 -3.591 1.00 0.00 H new ATOM 0 HA CYS B 26 1.355 1.026 -0.973 1.00 0.00 H new ATOM 0 HB2 CYS B 26 -0.186 1.426 -2.833 1.00 0.00 H new ATOM 0 HB3 CYS B 26 0.442 0.033 -3.692 1.00 0.00 H new ATOM 374 N ALA B 27 2.081 -1.291 -0.435 1.00 0.00 N ATOM 375 CA ALA B 27 2.599 -2.591 -0.046 1.00 0.00 C ATOM 376 C ALA B 27 1.789 -3.752 -0.619 1.00 0.00 C ATOM 377 O ALA B 27 2.311 -4.855 -0.755 1.00 0.00 O ATOM 378 CB ALA B 27 2.636 -2.678 1.479 1.00 0.00 C ATOM 0 H ALA B 27 1.652 -0.773 0.332 1.00 0.00 H new ATOM 0 HA ALA B 27 3.603 -2.682 -0.459 1.00 0.00 H new ATOM 0 HB1 ALA B 27 3.024 -3.652 1.779 1.00 0.00 H new ATOM 0 HB2 ALA B 27 3.282 -1.893 1.873 1.00 0.00 H new ATOM 0 HB3 ALA B 27 1.628 -2.551 1.875 1.00 0.00 H new ATOM 384 N TYR B 28 0.512 -3.508 -0.922 1.00 0.00 N ATOM 385 CA TYR B 28 -0.462 -4.514 -1.300 1.00 0.00 C ATOM 386 C TYR B 28 -0.443 -4.774 -2.803 1.00 0.00 C ATOM 387 O TYR B 28 -0.208 -5.898 -3.244 1.00 0.00 O ATOM 388 CB TYR B 28 -1.846 -4.013 -0.868 1.00 0.00 C ATOM 389 CG TYR B 28 -2.892 -5.101 -0.730 1.00 0.00 C ATOM 390 CD1 TYR B 28 -3.642 -5.519 -1.844 1.00 0.00 C ATOM 391 CD2 TYR B 28 -3.107 -5.707 0.518 1.00 0.00 C ATOM 392 CE1 TYR B 28 -4.591 -6.547 -1.712 1.00 0.00 C ATOM 393 CE2 TYR B 28 -4.030 -6.759 0.646 1.00 0.00 C ATOM 394 CZ TYR B 28 -4.775 -7.178 -0.469 1.00 0.00 C ATOM 395 OH TYR B 28 -5.680 -8.191 -0.348 1.00 0.00 O ATOM 0 H TYR B 28 0.121 -2.566 -0.908 1.00 0.00 H new ATOM 0 HA TYR B 28 -0.220 -5.456 -0.809 1.00 0.00 H new ATOM 0 HB2 TYR B 28 -1.750 -3.496 0.087 1.00 0.00 H new ATOM 0 HB3 TYR B 28 -2.196 -3.280 -1.594 1.00 0.00 H new ATOM 0 HD1 TYR B 28 -3.488 -5.048 -2.804 1.00 0.00 H new ATOM 0 HD2 TYR B 28 -2.561 -5.363 1.384 1.00 0.00 H new ATOM 0 HE1 TYR B 28 -5.179 -6.852 -2.565 1.00 0.00 H new ATOM 0 HE2 TYR B 28 -4.167 -7.245 1.601 1.00 0.00 H new ATOM 0 HH TYR B 28 -5.683 -8.518 0.576 1.00 0.00 H new ATOM 405 N CYS B 29 -0.703 -3.708 -3.566 1.00 0.00 N ATOM 406 CA CYS B 29 -0.970 -3.719 -4.999 1.00 0.00 C ATOM 407 C CYS B 29 0.042 -2.896 -5.798 1.00 0.00 C ATOM 408 O CYS B 29 0.092 -3.032 -7.019 1.00 0.00 O ATOM 409 CB CYS B 29 -2.404 -3.249 -5.262 1.00 0.00 C ATOM 410 SG CYS B 29 -2.680 -1.461 -5.312 1.00 0.00 S ATOM 0 H CYS B 29 -0.733 -2.766 -3.175 1.00 0.00 H new ATOM 0 HA CYS B 29 -0.860 -4.746 -5.347 1.00 0.00 H new ATOM 0 HB2 CYS B 29 -2.731 -3.670 -6.213 1.00 0.00 H new ATOM 0 HB3 CYS B 29 -3.047 -3.671 -4.489 1.00 0.00 H new ATOM 415 N LYS B 30 0.865 -2.080 -5.119 1.00 0.00 N ATOM 416 CA LYS B 30 2.019 -1.410 -5.707 1.00 0.00 C ATOM 417 C LYS B 30 1.647 -0.131 -6.461 1.00 0.00 C ATOM 418 O LYS B 30 2.478 0.430 -7.173 1.00 0.00 O ATOM 419 CB LYS B 30 2.873 -2.355 -6.569 1.00 0.00 C ATOM 420 CG LYS B 30 3.045 -3.825 -6.135 1.00 0.00 C ATOM 421 CD LYS B 30 2.844 -4.195 -4.659 1.00 0.00 C ATOM 422 CE LYS B 30 3.421 -5.585 -4.372 1.00 0.00 C ATOM 423 NZ LYS B 30 2.819 -6.180 -3.165 1.00 0.00 N ATOM 0 H LYS B 30 0.738 -1.869 -4.129 1.00 0.00 H new ATOM 0 HA LYS B 30 2.639 -1.101 -4.866 1.00 0.00 H new ATOM 0 HB2 LYS B 30 2.447 -2.358 -7.572 1.00 0.00 H new ATOM 0 HB3 LYS B 30 3.868 -1.918 -6.646 1.00 0.00 H new ATOM 0 HG2 LYS B 30 2.349 -4.425 -6.722 1.00 0.00 H new ATOM 0 HG3 LYS B 30 4.051 -4.136 -6.418 1.00 0.00 H new ATOM 0 HD2 LYS B 30 3.329 -3.455 -4.023 1.00 0.00 H new ATOM 0 HD3 LYS B 30 1.782 -4.178 -4.415 1.00 0.00 H new ATOM 0 HE2 LYS B 30 3.245 -6.237 -5.227 1.00 0.00 H new ATOM 0 HE3 LYS B 30 4.501 -5.513 -4.244 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 3.279 -7.090 -2.960 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 2.950 -5.537 -2.359 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 1.803 -6.334 -3.324 1.00 0.00 H new ATOM 437 N GLU B 31 0.416 0.349 -6.270 1.00 0.00 N ATOM 438 CA GLU B 31 -0.053 1.619 -6.795 1.00 0.00 C ATOM 439 C GLU B 31 0.583 2.767 -6.001 1.00 0.00 C ATOM 440 O GLU B 31 0.840 2.640 -4.806 1.00 0.00 O ATOM 441 CB GLU B 31 -1.584 1.638 -6.726 1.00 0.00 C ATOM 442 CG GLU B 31 -2.203 2.790 -7.524 1.00 0.00 C ATOM 443 CD GLU B 31 -3.728 2.749 -7.459 1.00 0.00 C ATOM 444 OE1 GLU B 31 -4.294 1.685 -7.798 1.00 0.00 O ATOM 445 OE2 GLU B 31 -4.307 3.778 -7.048 1.00 0.00 O ATOM 0 H GLU B 31 -0.293 -0.151 -5.733 1.00 0.00 H new ATOM 0 HA GLU B 31 0.241 1.747 -7.837 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -1.971 0.692 -7.104 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -1.895 1.716 -5.684 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -1.845 3.742 -7.131 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -1.879 2.732 -8.563 1.00 0.00 H new ATOM 452 N LYS B 32 0.872 3.875 -6.687 1.00 0.00 N ATOM 453 CA LYS B 32 1.551 5.045 -6.140 1.00 0.00 C ATOM 454 C LYS B 32 0.534 6.058 -5.620 1.00 0.00 C ATOM 455 O LYS B 32 0.773 6.713 -4.607 1.00 0.00 O ATOM 456 CB LYS B 32 2.389 5.685 -7.249 1.00 0.00 C ATOM 457 CG LYS B 32 3.731 4.978 -7.469 1.00 0.00 C ATOM 458 CD LYS B 32 3.618 3.477 -7.772 1.00 0.00 C ATOM 459 CE LYS B 32 4.968 2.860 -8.153 1.00 0.00 C ATOM 460 NZ LYS B 32 5.439 3.322 -9.470 1.00 0.00 N ATOM 0 H LYS B 32 0.630 3.983 -7.672 1.00 0.00 H new ATOM 0 HA LYS B 32 2.189 4.739 -5.311 1.00 0.00 H new ATOM 0 HB2 LYS B 32 1.821 5.672 -8.179 1.00 0.00 H new ATOM 0 HB3 LYS B 32 2.572 6.731 -7.001 1.00 0.00 H new ATOM 0 HG2 LYS B 32 4.252 5.464 -8.294 1.00 0.00 H new ATOM 0 HG3 LYS B 32 4.347 5.111 -6.580 1.00 0.00 H new ATOM 0 HD2 LYS B 32 3.218 2.961 -6.899 1.00 0.00 H new ATOM 0 HD3 LYS B 32 2.908 3.325 -8.585 1.00 0.00 H new ATOM 0 HE2 LYS B 32 5.709 3.114 -7.395 1.00 0.00 H new ATOM 0 HE3 LYS B 32 4.880 1.774 -8.161 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 6.252 2.746 -9.770 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 4.672 3.227 -10.166 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 5.727 4.319 -9.406 1.00 0.00 H new ATOM 474 N GLY B 33 -0.589 6.185 -6.336 1.00 0.00 N ATOM 475 CA GLY B 33 -1.695 7.083 -6.027 1.00 0.00 C ATOM 476 C GLY B 33 -2.196 6.975 -4.584 1.00 0.00 C ATOM 477 O GLY B 33 -2.736 7.945 -4.054 1.00 0.00 O ATOM 0 H GLY B 33 -0.754 5.639 -7.182 1.00 0.00 H new ATOM 0 HA2 GLY B 33 -1.381 8.109 -6.217 1.00 0.00 H new ATOM 0 HA3 GLY B 33 -2.522 6.872 -6.705 1.00 0.00 H new ATOM 481 N HIS B 34 -2.008 5.811 -3.950 1.00 0.00 N ATOM 482 CA HIS B 34 -2.305 5.587 -2.541 1.00 0.00 C ATOM 483 C HIS B 34 -1.201 4.723 -1.913 1.00 0.00 C ATOM 484 O HIS B 34 -0.119 4.578 -2.481 1.00 0.00 O ATOM 485 CB HIS B 34 -3.699 4.955 -2.407 1.00 0.00 C ATOM 486 CG HIS B 34 -3.794 3.585 -3.028 1.00 0.00 C ATOM 487 ND1 HIS B 34 -4.577 3.260 -4.110 1.00 0.00 N ATOM 488 CD2 HIS B 34 -3.168 2.410 -2.724 1.00 0.00 C ATOM 489 CE1 HIS B 34 -4.383 1.946 -4.327 1.00 0.00 C ATOM 490 NE2 HIS B 34 -3.554 1.321 -3.475 1.00 0.00 N ATOM 0 H HIS B 34 -1.637 4.984 -4.418 1.00 0.00 H new ATOM 0 HA HIS B 34 -2.323 6.532 -1.998 1.00 0.00 H new ATOM 0 HB2 HIS B 34 -3.959 4.886 -1.351 1.00 0.00 H new ATOM 0 HB3 HIS B 34 -4.434 5.610 -2.875 1.00 0.00 H new ATOM 0 HD1 HIS B 34 -5.182 3.887 -4.640 1.00 0.00 H new ATOM 0 HD2 HIS B 34 -2.421 2.339 -1.947 1.00 0.00 H new ATOM 0 HE1 HIS B 34 -4.866 1.424 -5.140 1.00 0.00 H new ATOM 498 N TRP B 35 -1.491 4.137 -0.745 1.00 0.00 N ATOM 499 CA TRP B 35 -0.604 3.252 -0.005 1.00 0.00 C ATOM 500 C TRP B 35 -1.391 2.055 0.541 1.00 0.00 C ATOM 501 O TRP B 35 -2.614 2.032 0.427 1.00 0.00 O ATOM 502 CB TRP B 35 0.014 4.109 1.099 1.00 0.00 C ATOM 503 CG TRP B 35 1.459 3.923 1.393 1.00 0.00 C ATOM 504 CD1 TRP B 35 2.434 3.562 0.531 1.00 0.00 C ATOM 505 CD2 TRP B 35 2.111 4.142 2.664 1.00 0.00 C ATOM 506 NE1 TRP B 35 3.636 3.491 1.199 1.00 0.00 N ATOM 507 CE2 TRP B 35 3.494 3.848 2.521 1.00 0.00 C ATOM 508 CE3 TRP B 35 1.668 4.607 3.915 1.00 0.00 C ATOM 509 CZ2 TRP B 35 4.385 3.946 3.594 1.00 0.00 C ATOM 510 CZ3 TRP B 35 2.553 4.716 4.993 1.00 0.00 C ATOM 511 CH2 TRP B 35 3.894 4.330 4.849 1.00 0.00 C ATOM 0 H TRP B 35 -2.387 4.276 -0.277 1.00 0.00 H new ATOM 0 HA TRP B 35 0.182 2.827 -0.629 1.00 0.00 H new ATOM 0 HB2 TRP B 35 -0.143 5.156 0.838 1.00 0.00 H new ATOM 0 HB3 TRP B 35 -0.542 3.923 2.018 1.00 0.00 H new ATOM 0 HD1 TRP B 35 2.293 3.360 -0.520 1.00 0.00 H new ATOM 0 HE1 TRP B 35 4.518 3.210 0.770 1.00 0.00 H new ATOM 0 HE3 TRP B 35 0.632 4.883 4.045 1.00 0.00 H new ATOM 0 HZ2 TRP B 35 5.434 3.729 3.458 1.00 0.00 H new ATOM 0 HZ3 TRP B 35 2.202 5.099 5.940 1.00 0.00 H new ATOM 0 HH2 TRP B 35 4.549 4.329 5.707 1.00 0.00 H new ATOM 522 N ALA B 36 -0.716 1.057 1.131 1.00 0.00 N ATOM 523 CA ALA B 36 -1.389 -0.137 1.660 1.00 0.00 C ATOM 524 C ALA B 36 -2.294 0.254 2.817 1.00 0.00 C ATOM 525 O ALA B 36 -3.326 -0.368 3.062 1.00 0.00 O ATOM 526 CB ALA B 36 -0.393 -1.215 2.080 1.00 0.00 C ATOM 0 H ALA B 36 0.297 1.054 1.253 1.00 0.00 H new ATOM 0 HA ALA B 36 -1.996 -0.566 0.863 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -0.934 -2.080 2.465 1.00 0.00 H new ATOM 0 HB2 ALA B 36 0.204 -1.514 1.219 1.00 0.00 H new ATOM 0 HB3 ALA B 36 0.263 -0.822 2.857 1.00 0.00 H new ATOM 532 N LYS B 37 -1.899 1.343 3.476 1.00 0.00 N ATOM 533 CA LYS B 37 -2.632 2.070 4.467 1.00 0.00 C ATOM 534 C LYS B 37 -4.057 2.388 3.991 1.00 0.00 C ATOM 535 O LYS B 37 -5.003 2.306 4.770 1.00 0.00 O ATOM 536 CB LYS B 37 -1.810 3.337 4.702 1.00 0.00 C ATOM 537 CG LYS B 37 -2.009 3.775 6.139 1.00 0.00 C ATOM 538 CD LYS B 37 -1.318 5.108 6.442 1.00 0.00 C ATOM 539 CE LYS B 37 -1.224 5.364 7.949 1.00 0.00 C ATOM 540 NZ LYS B 37 -2.548 5.385 8.593 1.00 0.00 N ATOM 0 H LYS B 37 -0.983 1.758 3.304 1.00 0.00 H new ATOM 0 HA LYS B 37 -2.764 1.498 5.386 1.00 0.00 H new ATOM 0 HB2 LYS B 37 -0.755 3.147 4.506 1.00 0.00 H new ATOM 0 HB3 LYS B 37 -2.124 4.125 4.018 1.00 0.00 H new ATOM 0 HG2 LYS B 37 -3.076 3.866 6.344 1.00 0.00 H new ATOM 0 HG3 LYS B 37 -1.621 3.007 6.808 1.00 0.00 H new ATOM 0 HD2 LYS B 37 -0.318 5.107 6.009 1.00 0.00 H new ATOM 0 HD3 LYS B 37 -1.869 5.920 5.968 1.00 0.00 H new ATOM 0 HE2 LYS B 37 -0.610 4.590 8.410 1.00 0.00 H new ATOM 0 HE3 LYS B 37 -0.722 6.315 8.124 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 -2.447 5.678 9.586 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 -3.166 6.058 8.095 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 -2.968 4.435 8.554 1.00 0.00 H new ATOM 554 N ASP B 38 -4.181 2.764 2.711 1.00 0.00 N ATOM 555 CA ASP B 38 -5.367 3.308 2.066 1.00 0.00 C ATOM 556 C ASP B 38 -5.823 2.476 0.853 1.00 0.00 C ATOM 557 O ASP B 38 -6.581 2.976 0.022 1.00 0.00 O ATOM 558 CB ASP B 38 -4.977 4.711 1.588 1.00 0.00 C ATOM 559 CG ASP B 38 -6.179 5.614 1.323 1.00 0.00 C ATOM 560 OD1 ASP B 38 -6.940 5.845 2.288 1.00 0.00 O ATOM 561 OD2 ASP B 38 -6.305 6.068 0.165 1.00 0.00 O ATOM 0 H ASP B 38 -3.398 2.688 2.061 1.00 0.00 H new ATOM 0 HA ASP B 38 -6.198 3.306 2.771 1.00 0.00 H new ATOM 0 HB2 ASP B 38 -4.338 5.178 2.338 1.00 0.00 H new ATOM 0 HB3 ASP B 38 -4.387 4.626 0.675 1.00 0.00 H new ATOM 566 N CYS B 39 -5.355 1.229 0.707 1.00 0.00 N ATOM 567 CA CYS B 39 -5.558 0.466 -0.521 1.00 0.00 C ATOM 568 C CYS B 39 -7.007 -0.020 -0.665 1.00 0.00 C ATOM 569 O CYS B 39 -7.521 -0.677 0.236 1.00 0.00 O ATOM 570 CB CYS B 39 -4.570 -0.699 -0.573 1.00 0.00 C ATOM 571 SG CYS B 39 -4.597 -1.698 -2.083 1.00 0.00 S ATOM 0 H CYS B 39 -4.833 0.731 1.428 1.00 0.00 H new ATOM 0 HA CYS B 39 -5.370 1.126 -1.368 1.00 0.00 H new ATOM 0 HB2 CYS B 39 -3.563 -0.302 -0.442 1.00 0.00 H new ATOM 0 HB3 CYS B 39 -4.767 -1.354 0.276 1.00 0.00 H new ATOM 576 N PRO B 40 -7.683 0.274 -1.788 1.00 0.00 N ATOM 577 CA PRO B 40 -9.044 -0.160 -2.048 1.00 0.00 C ATOM 578 C PRO B 40 -9.077 -1.641 -2.435 1.00 0.00 C ATOM 579 O PRO B 40 -10.104 -2.294 -2.263 1.00 0.00 O ATOM 580 CB PRO B 40 -9.521 0.726 -3.198 1.00 0.00 C ATOM 581 CG PRO B 40 -8.251 0.957 -4.011 1.00 0.00 C ATOM 582 CD PRO B 40 -7.148 0.946 -2.956 1.00 0.00 C ATOM 0 HA PRO B 40 -9.685 -0.066 -1.171 1.00 0.00 H new ATOM 0 HB2 PRO B 40 -10.294 0.236 -3.790 1.00 0.00 H new ATOM 0 HB3 PRO B 40 -9.943 1.663 -2.836 1.00 0.00 H new ATOM 0 HG2 PRO B 40 -8.103 0.175 -4.755 1.00 0.00 H new ATOM 0 HG3 PRO B 40 -8.284 1.905 -4.547 1.00 0.00 H new ATOM 0 HD2 PRO B 40 -6.264 0.427 -3.328 1.00 0.00 H new ATOM 0 HD3 PRO B 40 -6.841 1.962 -2.709 1.00 0.00 H new ATOM 590 N LYS B 41 -7.956 -2.172 -2.946 1.00 0.00 N ATOM 591 CA LYS B 41 -7.814 -3.592 -3.238 1.00 0.00 C ATOM 592 C LYS B 41 -7.829 -4.379 -1.923 1.00 0.00 C ATOM 593 O LYS B 41 -8.399 -5.465 -1.847 1.00 0.00 O ATOM 594 CB LYS B 41 -6.526 -3.902 -4.023 1.00 0.00 C ATOM 595 CG LYS B 41 -6.079 -2.880 -5.080 1.00 0.00 C ATOM 596 CD LYS B 41 -7.081 -2.641 -6.213 1.00 0.00 C ATOM 597 CE LYS B 41 -6.440 -1.837 -7.358 1.00 0.00 C ATOM 598 NZ LYS B 41 -5.838 -0.570 -6.899 1.00 0.00 N ATOM 0 H LYS B 41 -7.126 -1.622 -3.166 1.00 0.00 H new ATOM 0 HA LYS B 41 -8.652 -3.891 -3.868 1.00 0.00 H new ATOM 0 HB2 LYS B 41 -5.714 -4.021 -3.305 1.00 0.00 H new ATOM 0 HB3 LYS B 41 -6.657 -4.864 -4.519 1.00 0.00 H new ATOM 0 HG2 LYS B 41 -5.881 -1.930 -4.584 1.00 0.00 H new ATOM 0 HG3 LYS B 41 -5.137 -3.216 -5.513 1.00 0.00 H new ATOM 0 HD2 LYS B 41 -7.440 -3.597 -6.593 1.00 0.00 H new ATOM 0 HD3 LYS B 41 -7.948 -2.104 -5.829 1.00 0.00 H new ATOM 0 HE2 LYS B 41 -5.674 -2.445 -7.838 1.00 0.00 H new ATOM 0 HE3 LYS B 41 -7.196 -1.622 -8.113 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 -5.543 -0.008 -7.722 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 -6.537 -0.034 -6.346 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 -5.010 -0.775 -6.304 1.00 0.00 H new ATOM 612 N LYS B 42 -7.195 -3.811 -0.890 1.00 0.00 N ATOM 613 CA LYS B 42 -7.101 -4.376 0.435 1.00 0.00 C ATOM 614 C LYS B 42 -8.464 -4.308 1.136 1.00 0.00 C ATOM 615 O LYS B 42 -9.137 -3.280 1.060 1.00 0.00 O ATOM 616 CB LYS B 42 -6.053 -3.605 1.245 1.00 0.00 C ATOM 617 CG LYS B 42 -5.849 -4.197 2.642 1.00 0.00 C ATOM 618 CD LYS B 42 -5.028 -3.227 3.499 1.00 0.00 C ATOM 619 CE LYS B 42 -5.095 -3.594 4.985 1.00 0.00 C ATOM 620 NZ LYS B 42 -6.408 -3.281 5.578 1.00 0.00 N ATOM 0 H LYS B 42 -6.720 -2.912 -0.971 1.00 0.00 H new ATOM 0 HA LYS B 42 -6.801 -5.421 0.360 1.00 0.00 H new ATOM 0 HB2 LYS B 42 -5.105 -3.612 0.708 1.00 0.00 H new ATOM 0 HB3 LYS B 42 -6.361 -2.563 1.335 1.00 0.00 H new ATOM 0 HG2 LYS B 42 -6.814 -4.385 3.112 1.00 0.00 H new ATOM 0 HG3 LYS B 42 -5.337 -5.157 2.570 1.00 0.00 H new ATOM 0 HD2 LYS B 42 -3.990 -3.237 3.167 1.00 0.00 H new ATOM 0 HD3 LYS B 42 -5.398 -2.212 3.357 1.00 0.00 H new ATOM 0 HE2 LYS B 42 -4.889 -4.658 5.104 1.00 0.00 H new ATOM 0 HE3 LYS B 42 -4.317 -3.056 5.526 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 -6.390 -3.499 6.595 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 -6.618 -2.271 5.444 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 -7.143 -3.852 5.114 1.00 0.00 H new ATOM 634 N PRO B 43 -8.850 -5.371 1.861 1.00 0.00 N ATOM 635 CA PRO B 43 -9.993 -5.380 2.759 1.00 0.00 C ATOM 636 C PRO B 43 -9.885 -4.237 3.775 1.00 0.00 C ATOM 637 O PRO B 43 -9.015 -4.261 4.647 1.00 0.00 O ATOM 638 CB PRO B 43 -9.955 -6.748 3.456 1.00 0.00 C ATOM 639 CG PRO B 43 -9.180 -7.631 2.484 1.00 0.00 C ATOM 640 CD PRO B 43 -8.171 -6.651 1.894 1.00 0.00 C ATOM 0 HA PRO B 43 -10.933 -5.232 2.227 1.00 0.00 H new ATOM 0 HB2 PRO B 43 -9.460 -6.689 4.425 1.00 0.00 H new ATOM 0 HB3 PRO B 43 -10.959 -7.134 3.634 1.00 0.00 H new ATOM 0 HG2 PRO B 43 -8.691 -8.463 2.991 1.00 0.00 H new ATOM 0 HG3 PRO B 43 -9.827 -8.060 1.719 1.00 0.00 H new ATOM 0 HD2 PRO B 43 -7.269 -6.601 2.504 1.00 0.00 H new ATOM 0 HD3 PRO B 43 -7.863 -6.958 0.894 1.00 0.00 H new ATOM 648 N ARG B 44 -10.762 -3.235 3.649 1.00 0.00 N ATOM 649 CA ARG B 44 -10.861 -2.098 4.558 1.00 0.00 C ATOM 650 C ARG B 44 -9.506 -1.395 4.723 1.00 0.00 C ATOM 651 O ARG B 44 -9.012 -1.226 5.837 1.00 0.00 O ATOM 652 CB ARG B 44 -11.479 -2.530 5.901 1.00 0.00 C ATOM 653 CG ARG B 44 -12.996 -2.756 5.846 1.00 0.00 C ATOM 654 CD ARG B 44 -13.459 -3.878 4.907 1.00 0.00 C ATOM 655 NE ARG B 44 -14.866 -4.232 5.149 1.00 0.00 N ATOM 656 CZ ARG B 44 -15.933 -3.478 4.830 1.00 0.00 C ATOM 657 NH1 ARG B 44 -15.788 -2.321 4.171 1.00 0.00 N ATOM 658 NH2 ARG B 44 -17.160 -3.882 5.184 1.00 0.00 N ATOM 0 H ARG B 44 -11.440 -3.196 2.888 1.00 0.00 H new ATOM 0 HA ARG B 44 -11.534 -1.360 4.121 1.00 0.00 H new ATOM 0 HB2 ARG B 44 -10.997 -3.450 6.232 1.00 0.00 H new ATOM 0 HB3 ARG B 44 -11.262 -1.769 6.651 1.00 0.00 H new ATOM 0 HG2 ARG B 44 -13.350 -2.978 6.853 1.00 0.00 H new ATOM 0 HG3 ARG B 44 -13.474 -1.826 5.538 1.00 0.00 H new ATOM 0 HD2 ARG B 44 -13.334 -3.563 3.871 1.00 0.00 H new ATOM 0 HD3 ARG B 44 -12.831 -4.757 5.050 1.00 0.00 H new ATOM 0 HE ARG B 44 -15.049 -5.129 5.599 1.00 0.00 H new ATOM 0 HH11 ARG B 44 -14.858 -2.000 3.903 1.00 0.00 H new ATOM 0 HH12 ARG B 44 -16.608 -1.761 3.937 1.00 0.00 H new ATOM 0 HH21 ARG B 44 -17.282 -4.758 5.693 1.00 0.00 H new ATOM 0 HH22 ARG B 44 -17.973 -3.314 4.945 1.00 0.00 H new ATOM 672 N GLY B 45 -8.905 -0.984 3.601 1.00 0.00 N ATOM 673 CA GLY B 45 -7.739 -0.114 3.600 1.00 0.00 C ATOM 674 C GLY B 45 -8.170 1.304 3.977 1.00 0.00 C ATOM 675 O GLY B 45 -7.877 1.742 5.088 1.00 0.00 O ATOM 0 H GLY B 45 -9.220 -1.250 2.668 1.00 0.00 H new ATOM 0 HA2 GLY B 45 -6.996 -0.481 4.308 1.00 0.00 H new ATOM 0 HA3 GLY B 45 -7.270 -0.115 2.616 1.00 0.00 H new ATOM 679 N PRO B 46 -8.886 2.020 3.091 1.00 0.00 N ATOM 680 CA PRO B 46 -9.411 3.341 3.387 1.00 0.00 C ATOM 681 C PRO B 46 -10.500 3.204 4.452 1.00 0.00 C ATOM 682 O PRO B 46 -11.547 2.615 4.190 1.00 0.00 O ATOM 683 CB PRO B 46 -9.947 3.878 2.057 1.00 0.00 C ATOM 684 CG PRO B 46 -10.336 2.614 1.291 1.00 0.00 C ATOM 685 CD PRO B 46 -9.306 1.590 1.765 1.00 0.00 C ATOM 0 HA PRO B 46 -8.667 4.030 3.786 1.00 0.00 H new ATOM 0 HB2 PRO B 46 -10.803 4.536 2.206 1.00 0.00 H new ATOM 0 HB3 PRO B 46 -9.191 4.454 1.523 1.00 0.00 H new ATOM 0 HG2 PRO B 46 -11.353 2.299 1.523 1.00 0.00 H new ATOM 0 HG3 PRO B 46 -10.287 2.765 0.213 1.00 0.00 H new ATOM 0 HD2 PRO B 46 -9.738 0.590 1.799 1.00 0.00 H new ATOM 0 HD3 PRO B 46 -8.457 1.547 1.083 1.00 0.00 H new ATOM 693 N ARG B 47 -10.214 3.713 5.657 1.00 0.00 N ATOM 694 CA ARG B 47 -10.995 3.529 6.874 1.00 0.00 C ATOM 695 C ARG B 47 -10.970 2.065 7.323 1.00 0.00 C ATOM 696 O ARG B 47 -11.628 1.207 6.735 1.00 0.00 O ATOM 697 CB ARG B 47 -12.425 4.077 6.752 1.00 0.00 C ATOM 698 CG ARG B 47 -12.425 5.603 6.588 1.00 0.00 C ATOM 699 CD ARG B 47 -13.847 6.176 6.497 1.00 0.00 C ATOM 700 NE ARG B 47 -14.688 5.787 7.641 1.00 0.00 N ATOM 701 CZ ARG B 47 -14.592 6.271 8.891 1.00 0.00 C ATOM 702 NH1 ARG B 47 -13.710 7.234 9.193 1.00 0.00 N ATOM 703 NH2 ARG B 47 -15.390 5.780 9.849 1.00 0.00 N ATOM 0 H ARG B 47 -9.389 4.293 5.811 1.00 0.00 H new ATOM 0 HA ARG B 47 -10.519 4.123 7.654 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -12.921 3.617 5.897 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -12.998 3.804 7.638 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -11.905 6.057 7.431 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -11.869 5.870 5.689 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -13.794 7.263 6.443 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -14.315 5.833 5.574 1.00 0.00 H new ATOM 0 HE ARG B 47 -15.409 5.086 7.469 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -13.098 7.611 8.469 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -13.650 7.590 10.147 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -16.062 5.046 9.626 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -15.325 6.140 10.801 1.00 0.00 H new ATOM 717 N GLY B 48 -10.222 1.800 8.400 1.00 0.00 N ATOM 718 CA GLY B 48 -10.161 0.507 9.063 1.00 0.00 C ATOM 719 C GLY B 48 -11.496 0.139 9.727 1.00 0.00 C ATOM 720 O GLY B 48 -12.415 0.958 9.703 1.00 0.00 O ATOM 0 H GLY B 48 -9.629 2.503 8.841 1.00 0.00 H new ATOM 0 HA2 GLY B 48 -9.893 -0.261 8.337 1.00 0.00 H new ATOM 0 HA3 GLY B 48 -9.373 0.522 9.816 1.00 0.00 H new ATOM 724 N PRO B 49 -11.601 -1.072 10.322 1.00 0.00 N ATOM 725 CA PRO B 49 -12.714 -1.615 11.083 1.00 0.00 C ATOM 726 C PRO B 49 -14.051 -1.064 10.631 1.00 0.00 C ATOM 727 O PRO B 49 -14.850 -0.508 11.379 1.00 0.00 O ATOM 728 CB PRO B 49 -12.243 -1.487 12.522 1.00 0.00 C ATOM 729 CG PRO B 49 -10.769 -1.923 12.331 1.00 0.00 C ATOM 730 CD PRO B 49 -10.503 -1.849 10.811 1.00 0.00 C ATOM 0 HA PRO B 49 -12.961 -2.665 10.923 1.00 0.00 H new ATOM 0 HB2 PRO B 49 -12.336 -0.472 12.907 1.00 0.00 H new ATOM 0 HB3 PRO B 49 -12.790 -2.138 13.204 1.00 0.00 H new ATOM 0 HG2 PRO B 49 -10.093 -1.267 12.879 1.00 0.00 H new ATOM 0 HG3 PRO B 49 -10.608 -2.933 12.708 1.00 0.00 H new ATOM 0 HD2 PRO B 49 -9.546 -1.375 10.593 1.00 0.00 H new ATOM 0 HD3 PRO B 49 -10.478 -2.840 10.358 1.00 0.00 H new ATOM 738 N ARG B 50 -14.172 -1.293 9.322 1.00 0.00 N ATOM 739 CA ARG B 50 -15.072 -0.865 8.287 1.00 0.00 C ATOM 740 C ARG B 50 -15.706 0.532 8.404 1.00 0.00 C ATOM 741 O ARG B 50 -16.104 0.961 9.484 1.00 0.00 O ATOM 742 CB ARG B 50 -16.135 -1.944 8.026 1.00 0.00 C ATOM 743 CG ARG B 50 -17.029 -2.192 9.249 1.00 0.00 C ATOM 744 CD ARG B 50 -18.123 -3.222 8.946 1.00 0.00 C ATOM 745 NE ARG B 50 -19.074 -2.746 7.932 1.00 0.00 N ATOM 746 CZ ARG B 50 -20.062 -1.860 8.142 1.00 0.00 C ATOM 747 NH1 ARG B 50 -20.221 -1.257 9.328 1.00 0.00 N ATOM 748 NH2 ARG B 50 -20.901 -1.581 7.140 1.00 0.00 N ATOM 0 H ARG B 50 -13.485 -1.917 8.899 1.00 0.00 H new ATOM 0 HA ARG B 50 -14.416 -0.739 7.426 1.00 0.00 H new ATOM 0 HB2 ARG B 50 -16.755 -1.643 7.181 1.00 0.00 H new ATOM 0 HB3 ARG B 50 -15.643 -2.875 7.744 1.00 0.00 H new ATOM 0 HG2 ARG B 50 -16.419 -2.542 10.082 1.00 0.00 H new ATOM 0 HG3 ARG B 50 -17.488 -1.254 9.562 1.00 0.00 H new ATOM 0 HD2 ARG B 50 -17.662 -4.148 8.602 1.00 0.00 H new ATOM 0 HD3 ARG B 50 -18.662 -3.457 9.864 1.00 0.00 H new ATOM 0 HE ARG B 50 -18.976 -3.120 6.988 1.00 0.00 H new ATOM 0 HH11 ARG B 50 -19.584 -1.467 10.096 1.00 0.00 H new ATOM 0 HH12 ARG B 50 -20.979 -0.588 9.462 1.00 0.00 H new ATOM 0 HH21 ARG B 50 -20.785 -2.038 6.235 1.00 0.00 H new ATOM 0 HH22 ARG B 50 -21.657 -0.911 7.280 1.00 0.00 H new ATOM 762 N PRO B 51 -15.867 1.232 7.266 1.00 0.00 N ATOM 763 CA PRO B 51 -16.642 2.460 7.171 1.00 0.00 C ATOM 764 C PRO B 51 -18.144 2.123 7.168 1.00 0.00 C ATOM 765 O PRO B 51 -18.549 1.058 7.636 1.00 0.00 O ATOM 766 CB PRO B 51 -16.162 3.099 5.860 1.00 0.00 C ATOM 767 CG PRO B 51 -15.879 1.892 4.972 1.00 0.00 C ATOM 768 CD PRO B 51 -15.306 0.885 5.968 1.00 0.00 C ATOM 0 HA PRO B 51 -16.504 3.145 8.008 1.00 0.00 H new ATOM 0 HB2 PRO B 51 -16.922 3.749 5.426 1.00 0.00 H new ATOM 0 HB3 PRO B 51 -15.270 3.707 6.011 1.00 0.00 H new ATOM 0 HG2 PRO B 51 -16.784 1.519 4.491 1.00 0.00 H new ATOM 0 HG3 PRO B 51 -15.170 2.128 4.178 1.00 0.00 H new ATOM 0 HD2 PRO B 51 -15.573 -0.134 5.688 1.00 0.00 H new ATOM 0 HD3 PRO B 51 -14.217 0.935 5.989 1.00 0.00 H new ATOM 776 N GLN B 52 -18.973 3.031 6.636 1.00 0.00 N ATOM 777 CA GLN B 52 -20.417 2.868 6.504 1.00 0.00 C ATOM 778 C GLN B 52 -20.791 1.543 5.827 1.00 0.00 C ATOM 779 O GLN B 52 -21.761 0.908 6.238 1.00 0.00 O ATOM 780 CB GLN B 52 -20.980 4.070 5.733 1.00 0.00 C ATOM 781 CG GLN B 52 -22.514 4.051 5.671 1.00 0.00 C ATOM 782 CD GLN B 52 -23.087 5.291 4.984 1.00 0.00 C ATOM 783 OE1 GLN B 52 -22.350 6.149 4.504 1.00 0.00 O ATOM 784 NE2 GLN B 52 -24.417 5.386 4.934 1.00 0.00 N ATOM 0 H GLN B 52 -18.641 3.926 6.276 1.00 0.00 H new ATOM 0 HA GLN B 52 -20.859 2.832 7.500 1.00 0.00 H new ATOM 0 HB2 GLN B 52 -20.649 4.993 6.209 1.00 0.00 H new ATOM 0 HB3 GLN B 52 -20.577 4.071 4.720 1.00 0.00 H new ATOM 0 HG2 GLN B 52 -22.842 3.159 5.137 1.00 0.00 H new ATOM 0 HG3 GLN B 52 -22.915 3.982 6.682 1.00 0.00 H new ATOM 0 HE21 GLN B 52 -24.996 4.653 5.344 1.00 0.00 H new ATOM 0 HE22 GLN B 52 -24.854 6.191 4.486 1.00 0.00 H new ATOM 793 N THR B 53 -20.023 1.136 4.806 1.00 0.00 N ATOM 794 CA THR B 53 -20.170 -0.134 4.104 1.00 0.00 C ATOM 795 C THR B 53 -19.123 -1.132 4.610 1.00 0.00 C ATOM 796 O THR B 53 -17.958 -0.719 4.783 1.00 0.00 O ATOM 797 CB THR B 53 -20.097 0.090 2.583 1.00 0.00 C ATOM 798 OG1 THR B 53 -20.312 -1.132 1.908 1.00 0.00 O ATOM 799 CG2 THR B 53 -18.773 0.694 2.098 1.00 0.00 C ATOM 800 OXT THR B 53 -19.502 -2.302 4.842 1.00 0.00 O ATOM 0 H THR B 53 -19.260 1.705 4.439 1.00 0.00 H new ATOM 0 HA THR B 53 -21.150 -0.564 4.312 1.00 0.00 H new ATOM 0 HB THR B 53 -20.878 0.816 2.355 1.00 0.00 H new ATOM 0 HG1 THR B 53 -20.266 -0.984 0.940 1.00 0.00 H new ATOM 0 HG21 THR B 53 -18.805 0.819 1.016 1.00 0.00 H new ATOM 0 HG22 THR B 53 -18.621 1.664 2.571 1.00 0.00 H new ATOM 0 HG23 THR B 53 -17.951 0.029 2.362 1.00 0.00 H new TER 808 THR B 53 HETATM 809 ZN ZN B 55 -2.975 -0.601 -3.233 1.00 0.00 ZN