USER MOD reduce.3.24.130724 H: found=0, std=0, add=378, rem=0, adj=9 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 95:sc= 0.61 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= 1.14 K(o=1.1,f=-0.089) USER MOD Single : B 25 GLN : amide:sc=-0.000254 K(o=-0.00025,f=-4!) USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD Single : B 30 LYS NZ :NH3+ -157:sc= -0.0142 (180deg=-0.785) USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 LYS NZ :NH3+ -150:sc= 1.49 (180deg=0.978) USER MOD Single : B 41 LYS NZ :NH3+ -134:sc= 0.711 (180deg=0.546) USER MOD Single : B 42 LYS NZ :NH3+ -143:sc= 1.62 (180deg=0.796) USER MOD Single : B 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 53 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 1.172 -7.202 1.045 1.00 0.00 O ATOM 2 C5' DA A 1 2.336 -7.338 1.832 1.00 0.00 C ATOM 3 C4' DA A 1 2.099 -6.894 3.284 1.00 0.00 C ATOM 4 O4' DA A 1 3.355 -6.893 3.958 1.00 0.00 O ATOM 5 C3' DA A 1 1.527 -5.477 3.407 1.00 0.00 C ATOM 6 O3' DA A 1 0.904 -5.300 4.673 1.00 0.00 O ATOM 7 C2' DA A 1 2.830 -4.718 3.359 1.00 0.00 C ATOM 8 C1' DA A 1 3.672 -5.556 4.306 1.00 0.00 C ATOM 9 N9 DA A 1 5.117 -5.259 4.200 1.00 0.00 N ATOM 10 C8 DA A 1 5.803 -4.624 3.194 1.00 0.00 C ATOM 11 N7 DA A 1 7.085 -4.518 3.404 1.00 0.00 N ATOM 12 C5 DA A 1 7.263 -5.101 4.652 1.00 0.00 C ATOM 13 C6 DA A 1 8.391 -5.273 5.481 1.00 0.00 C ATOM 14 N6 DA A 1 9.616 -4.863 5.135 1.00 0.00 N ATOM 15 N1 DA A 1 8.223 -5.876 6.675 1.00 0.00 N ATOM 16 C2 DA A 1 7.004 -6.279 7.028 1.00 0.00 C ATOM 17 N3 DA A 1 5.867 -6.172 6.345 1.00 0.00 N ATOM 18 C4 DA A 1 6.067 -5.558 5.147 1.00 0.00 C ATOM 0 H5' DA A 1 3.140 -6.744 1.397 1.00 0.00 H new ATOM 0 H5'' DA A 1 2.664 -8.377 1.819 1.00 0.00 H new ATOM 0 H4' DA A 1 1.376 -7.588 3.712 1.00 0.00 H new ATOM 0 H3' DA A 1 0.773 -5.197 2.672 1.00 0.00 H new ATOM 0 H2' DA A 1 3.251 -4.679 2.354 1.00 0.00 H new ATOM 0 H2'' DA A 1 2.723 -3.688 3.700 1.00 0.00 H new ATOM 0 HO5' DA A 1 1.193 -6.342 0.576 1.00 0.00 H new ATOM 0 H1' DA A 1 3.451 -5.344 5.352 1.00 0.00 H new ATOM 0 H8 DA A 1 5.321 -4.245 2.305 1.00 0.00 H new ATOM 0 H61 DA A 1 10.401 -5.010 5.769 1.00 0.00 H new ATOM 0 H62 DA A 1 9.765 -4.403 4.237 1.00 0.00 H new ATOM 0 H2 DA A 1 6.928 -6.755 7.995 1.00 0.00 H new ATOM 31 P DC A 2 -0.655 -4.915 4.823 1.00 0.00 P ATOM 32 OP1 DC A 2 -1.084 -5.247 6.199 1.00 0.00 O ATOM 33 OP2 DC A 2 -1.380 -5.507 3.676 1.00 0.00 O ATOM 34 O5' DC A 2 -0.701 -3.308 4.654 1.00 0.00 O ATOM 35 C5' DC A 2 -0.625 -2.396 5.745 1.00 0.00 C ATOM 36 C4' DC A 2 0.710 -2.445 6.508 1.00 0.00 C ATOM 37 O4' DC A 2 1.803 -2.660 5.637 1.00 0.00 O ATOM 38 C3' DC A 2 1.094 -1.110 7.157 1.00 0.00 C ATOM 39 O3' DC A 2 0.487 -0.830 8.407 1.00 0.00 O ATOM 40 C2' DC A 2 2.607 -1.259 7.299 1.00 0.00 C ATOM 41 C1' DC A 2 2.970 -2.436 6.403 1.00 0.00 C ATOM 42 N1 DC A 2 4.178 -2.095 5.603 1.00 0.00 N ATOM 43 C2 DC A 2 5.436 -2.391 6.135 1.00 0.00 C ATOM 44 O2 DC A 2 5.550 -2.957 7.220 1.00 0.00 O ATOM 45 N3 DC A 2 6.544 -2.035 5.423 1.00 0.00 N ATOM 46 C4 DC A 2 6.439 -1.428 4.232 1.00 0.00 C ATOM 47 N4 DC A 2 7.557 -1.100 3.576 1.00 0.00 N ATOM 48 C5 DC A 2 5.157 -1.126 3.664 1.00 0.00 C ATOM 49 C6 DC A 2 4.065 -1.458 4.392 1.00 0.00 C ATOM 0 H5' DC A 2 -1.437 -2.608 6.440 1.00 0.00 H new ATOM 0 H5'' DC A 2 -0.781 -1.384 5.371 1.00 0.00 H new ATOM 0 H4' DC A 2 0.545 -3.239 7.236 1.00 0.00 H new ATOM 0 H3' DC A 2 0.753 -0.268 6.555 1.00 0.00 H new ATOM 0 H2' DC A 2 3.124 -0.351 6.988 1.00 0.00 H new ATOM 0 H2'' DC A 2 2.890 -1.449 8.334 1.00 0.00 H new ATOM 0 H1' DC A 2 3.243 -3.348 6.934 1.00 0.00 H new ATOM 0 H41 DC A 2 7.499 -0.638 2.669 1.00 0.00 H new ATOM 0 H42 DC A 2 8.468 -1.312 3.983 1.00 0.00 H new ATOM 0 H5 DC A 2 5.067 -0.654 2.697 1.00 0.00 H new ATOM 0 H6 DC A 2 3.083 -1.216 4.012 1.00 0.00 H new ATOM 61 P DG A 3 0.578 0.653 9.071 1.00 0.00 P ATOM 62 OP1 DG A 3 0.056 0.572 10.452 1.00 0.00 O ATOM 63 OP2 DG A 3 -0.028 1.612 8.118 1.00 0.00 O ATOM 64 O5' DG A 3 2.169 0.957 9.157 1.00 0.00 O ATOM 65 C5' DG A 3 2.691 2.276 9.224 1.00 0.00 C ATOM 66 C4' DG A 3 4.207 2.257 8.940 1.00 0.00 C ATOM 67 O4' DG A 3 4.425 1.468 7.776 1.00 0.00 O ATOM 68 C3' DG A 3 4.786 3.654 8.636 1.00 0.00 C ATOM 69 O3' DG A 3 6.173 3.721 8.961 1.00 0.00 O ATOM 70 C2' DG A 3 4.458 3.722 7.157 1.00 0.00 C ATOM 71 C1' DG A 3 4.681 2.304 6.664 1.00 0.00 C ATOM 72 N9 DG A 3 3.802 2.062 5.496 1.00 0.00 N ATOM 73 C8 DG A 3 2.439 1.910 5.458 1.00 0.00 C ATOM 74 N7 DG A 3 1.946 1.762 4.262 1.00 0.00 N ATOM 75 C5 DG A 3 3.061 1.823 3.436 1.00 0.00 C ATOM 76 C6 DG A 3 3.154 1.735 2.016 1.00 0.00 C ATOM 77 O6 DG A 3 2.242 1.560 1.214 1.00 0.00 O ATOM 78 N1 DG A 3 4.460 1.875 1.555 1.00 0.00 N ATOM 79 C2 DG A 3 5.561 2.033 2.378 1.00 0.00 C ATOM 80 N2 DG A 3 6.762 2.077 1.793 1.00 0.00 N ATOM 81 N3 DG A 3 5.477 2.118 3.716 1.00 0.00 N ATOM 82 C4 DG A 3 4.203 2.007 4.181 1.00 0.00 C ATOM 0 H5' DG A 3 2.502 2.701 10.210 1.00 0.00 H new ATOM 0 H5'' DG A 3 2.185 2.914 8.500 1.00 0.00 H new ATOM 0 H4' DG A 3 4.695 1.866 9.833 1.00 0.00 H new ATOM 0 H3' DG A 3 4.392 4.496 9.205 1.00 0.00 H new ATOM 0 H2' DG A 3 3.430 4.045 6.991 1.00 0.00 H new ATOM 0 H2'' DG A 3 5.103 4.431 6.638 1.00 0.00 H new ATOM 0 H1' DG A 3 5.693 2.106 6.310 1.00 0.00 H new ATOM 0 H8 DG A 3 1.826 1.913 6.347 1.00 0.00 H new ATOM 0 H1 DG A 3 4.615 1.860 0.547 1.00 0.00 H new ATOM 0 H21 DG A 3 7.602 2.192 2.360 1.00 0.00 H new ATOM 0 H22 DG A 3 6.839 1.995 0.779 1.00 0.00 H new ATOM 94 P DC A 4 7.342 4.466 8.092 1.00 0.00 P ATOM 95 OP1 DC A 4 7.663 3.587 6.944 1.00 0.00 O ATOM 96 OP2 DC A 4 8.423 4.797 9.044 1.00 0.00 O ATOM 97 O5' DC A 4 6.816 5.881 7.464 1.00 0.00 O ATOM 98 C5' DC A 4 7.764 6.763 6.869 1.00 0.00 C ATOM 99 C4' DC A 4 7.242 7.874 5.937 1.00 0.00 C ATOM 100 O4' DC A 4 6.396 7.455 4.874 1.00 0.00 O ATOM 101 C3' DC A 4 6.497 9.016 6.626 1.00 0.00 C ATOM 102 O3' DC A 4 7.400 10.041 7.002 1.00 0.00 O ATOM 103 C2' DC A 4 5.564 9.519 5.518 1.00 0.00 C ATOM 104 C1' DC A 4 5.920 8.659 4.296 1.00 0.00 C ATOM 105 N1 DC A 4 4.845 8.528 3.254 1.00 0.00 N ATOM 106 C2 DC A 4 5.227 8.589 1.906 1.00 0.00 C ATOM 107 O2 DC A 4 6.396 8.759 1.573 1.00 0.00 O ATOM 108 N3 DC A 4 4.276 8.460 0.944 1.00 0.00 N ATOM 109 C4 DC A 4 2.988 8.278 1.247 1.00 0.00 C ATOM 110 N4 DC A 4 2.112 8.142 0.247 1.00 0.00 N ATOM 111 C5 DC A 4 2.557 8.220 2.615 1.00 0.00 C ATOM 112 C6 DC A 4 3.512 8.358 3.571 1.00 0.00 C ATOM 0 H5' DC A 4 8.471 6.158 6.302 1.00 0.00 H new ATOM 0 H5'' DC A 4 8.325 7.239 7.673 1.00 0.00 H new ATOM 0 H4' DC A 4 8.198 8.218 5.541 1.00 0.00 H new ATOM 0 H3' DC A 4 5.980 8.712 7.536 1.00 0.00 H new ATOM 0 H2' DC A 4 4.517 9.399 5.796 1.00 0.00 H new ATOM 0 H2'' DC A 4 5.721 10.579 5.317 1.00 0.00 H new ATOM 0 H1' DC A 4 6.677 9.125 3.665 1.00 0.00 H new ATOM 0 H41 DC A 4 1.123 8.002 0.451 1.00 0.00 H new ATOM 0 H42 DC A 4 2.433 8.178 -0.721 1.00 0.00 H new ATOM 0 H5 DC A 4 1.519 8.073 2.873 1.00 0.00 H new ATOM 0 H6 DC A 4 3.220 8.334 4.610 1.00 0.00 H new ATOM 124 P DC A 5 7.643 10.435 8.547 1.00 0.00 P ATOM 125 OP1 DC A 5 8.660 11.509 8.602 1.00 0.00 O ATOM 126 OP2 DC A 5 7.835 9.194 9.327 1.00 0.00 O ATOM 127 O5' DC A 5 6.218 11.062 8.946 1.00 0.00 O ATOM 128 C5' DC A 5 5.815 12.340 8.493 1.00 0.00 C ATOM 129 C4' DC A 5 4.298 12.458 8.645 1.00 0.00 C ATOM 130 O4' DC A 5 3.670 11.453 7.874 1.00 0.00 O ATOM 131 C3' DC A 5 3.808 12.246 10.077 1.00 0.00 C ATOM 132 O3' DC A 5 3.861 13.435 10.836 1.00 0.00 O ATOM 133 C2' DC A 5 2.373 11.796 9.839 1.00 0.00 C ATOM 134 C1' DC A 5 2.407 11.160 8.443 1.00 0.00 C ATOM 135 N1 DC A 5 2.242 9.682 8.509 1.00 0.00 N ATOM 136 C2 DC A 5 1.123 9.091 7.919 1.00 0.00 C ATOM 137 O2 DC A 5 0.278 9.759 7.326 1.00 0.00 O ATOM 138 N3 DC A 5 0.980 7.736 7.994 1.00 0.00 N ATOM 139 C4 DC A 5 1.885 6.978 8.630 1.00 0.00 C ATOM 140 N4 DC A 5 1.671 5.661 8.712 1.00 0.00 N ATOM 141 C5 DC A 5 3.057 7.559 9.223 1.00 0.00 C ATOM 142 C6 DC A 5 3.186 8.905 9.138 1.00 0.00 C ATOM 0 H5' DC A 5 6.102 12.479 7.451 1.00 0.00 H new ATOM 0 H5'' DC A 5 6.314 13.120 9.068 1.00 0.00 H new ATOM 0 H4' DC A 5 4.050 13.470 8.326 1.00 0.00 H new ATOM 0 H3' DC A 5 4.410 11.540 10.649 1.00 0.00 H new ATOM 0 H2' DC A 5 2.049 11.081 10.595 1.00 0.00 H new ATOM 0 H2'' DC A 5 1.680 12.637 9.877 1.00 0.00 H new ATOM 0 HO3' DC A 5 3.538 13.258 11.744 1.00 0.00 H new ATOM 0 H1' DC A 5 1.587 11.561 7.847 1.00 0.00 H new ATOM 0 H41 DC A 5 2.345 5.064 9.191 1.00 0.00 H new ATOM 0 H42 DC A 5 0.834 5.254 8.296 1.00 0.00 H new ATOM 0 H5 DC A 5 3.802 6.950 9.714 1.00 0.00 H new ATOM 0 H6 DC A 5 4.052 9.380 9.575 1.00 0.00 H new TER 155 DC A 5 ATOM 156 N GLY B 14 17.955 -1.550 -13.413 1.00 0.00 N ATOM 157 CA GLY B 14 16.937 -0.833 -14.200 1.00 0.00 C ATOM 158 C GLY B 14 15.606 -0.746 -13.459 1.00 0.00 C ATOM 159 O GLY B 14 15.423 -1.425 -12.451 1.00 0.00 O ATOM 0 HA2 GLY B 14 17.294 0.172 -14.426 1.00 0.00 H new ATOM 0 HA3 GLY B 14 16.790 -1.341 -15.153 1.00 0.00 H new ATOM 165 N GLU B 15 14.685 0.087 -13.957 1.00 0.00 N ATOM 166 CA GLU B 15 13.374 0.290 -13.353 1.00 0.00 C ATOM 167 C GLU B 15 12.533 -0.988 -13.446 1.00 0.00 C ATOM 168 O GLU B 15 12.761 -1.819 -14.325 1.00 0.00 O ATOM 169 CB GLU B 15 12.693 1.490 -14.031 1.00 0.00 C ATOM 170 CG GLU B 15 11.337 1.872 -13.420 1.00 0.00 C ATOM 171 CD GLU B 15 11.428 2.101 -11.915 1.00 0.00 C ATOM 172 OE1 GLU B 15 12.078 3.092 -11.523 1.00 0.00 O ATOM 173 OE2 GLU B 15 10.883 1.255 -11.171 1.00 0.00 O ATOM 0 H GLU B 15 14.836 0.642 -14.799 1.00 0.00 H new ATOM 0 HA GLU B 15 13.481 0.513 -12.291 1.00 0.00 H new ATOM 0 HB2 GLU B 15 13.359 2.351 -13.975 1.00 0.00 H new ATOM 0 HB3 GLU B 15 12.552 1.264 -15.088 1.00 0.00 H new ATOM 0 HG2 GLU B 15 10.965 2.776 -13.902 1.00 0.00 H new ATOM 0 HG3 GLU B 15 10.614 1.082 -13.623 1.00 0.00 H new ATOM 180 N ARG B 16 11.581 -1.142 -12.515 1.00 0.00 N ATOM 181 CA ARG B 16 10.662 -2.266 -12.372 1.00 0.00 C ATOM 182 C ARG B 16 11.364 -3.481 -11.761 1.00 0.00 C ATOM 183 O ARG B 16 10.921 -3.987 -10.731 1.00 0.00 O ATOM 184 CB ARG B 16 9.944 -2.588 -13.693 1.00 0.00 C ATOM 185 CG ARG B 16 8.721 -3.478 -13.445 1.00 0.00 C ATOM 186 CD ARG B 16 7.973 -3.733 -14.756 1.00 0.00 C ATOM 187 NE ARG B 16 6.774 -4.550 -14.526 1.00 0.00 N ATOM 188 CZ ARG B 16 5.915 -4.937 -15.484 1.00 0.00 C ATOM 189 NH1 ARG B 16 6.113 -4.585 -16.763 1.00 0.00 N ATOM 190 NH2 ARG B 16 4.851 -5.683 -15.158 1.00 0.00 N ATOM 0 H ARG B 16 11.427 -0.434 -11.797 1.00 0.00 H new ATOM 0 HA ARG B 16 9.881 -1.973 -11.671 1.00 0.00 H new ATOM 0 HB2 ARG B 16 9.634 -1.663 -14.178 1.00 0.00 H new ATOM 0 HB3 ARG B 16 10.632 -3.089 -14.373 1.00 0.00 H new ATOM 0 HG2 ARG B 16 9.035 -4.426 -13.008 1.00 0.00 H new ATOM 0 HG3 ARG B 16 8.055 -3.001 -12.726 1.00 0.00 H new ATOM 0 HD2 ARG B 16 7.689 -2.783 -15.208 1.00 0.00 H new ATOM 0 HD3 ARG B 16 8.632 -4.238 -15.463 1.00 0.00 H new ATOM 0 HE ARG B 16 6.579 -4.845 -13.569 1.00 0.00 H new ATOM 0 HH11 ARG B 16 6.922 -4.018 -17.017 1.00 0.00 H new ATOM 0 HH12 ARG B 16 5.455 -4.884 -17.482 1.00 0.00 H new ATOM 0 HH21 ARG B 16 4.696 -5.954 -14.187 1.00 0.00 H new ATOM 0 HH22 ARG B 16 4.195 -5.980 -15.881 1.00 0.00 H new ATOM 204 N ARG B 17 12.465 -3.928 -12.378 1.00 0.00 N ATOM 205 CA ARG B 17 13.334 -4.974 -11.855 1.00 0.00 C ATOM 206 C ARG B 17 14.206 -4.408 -10.727 1.00 0.00 C ATOM 207 O ARG B 17 15.418 -4.250 -10.872 1.00 0.00 O ATOM 208 CB ARG B 17 14.140 -5.636 -12.988 1.00 0.00 C ATOM 209 CG ARG B 17 14.823 -4.657 -13.956 1.00 0.00 C ATOM 210 CD ARG B 17 15.729 -5.418 -14.928 1.00 0.00 C ATOM 211 NE ARG B 17 16.263 -4.525 -15.965 1.00 0.00 N ATOM 212 CZ ARG B 17 17.123 -4.899 -16.927 1.00 0.00 C ATOM 213 NH1 ARG B 17 17.590 -6.155 -16.977 1.00 0.00 N ATOM 214 NH2 ARG B 17 17.515 -4.009 -17.849 1.00 0.00 N ATOM 0 H ARG B 17 12.778 -3.559 -13.276 1.00 0.00 H new ATOM 0 HA ARG B 17 12.733 -5.772 -11.419 1.00 0.00 H new ATOM 0 HB2 ARG B 17 14.902 -6.277 -12.545 1.00 0.00 H new ATOM 0 HB3 ARG B 17 13.473 -6.282 -13.559 1.00 0.00 H new ATOM 0 HG2 ARG B 17 14.069 -4.099 -14.512 1.00 0.00 H new ATOM 0 HG3 ARG B 17 15.410 -3.929 -13.395 1.00 0.00 H new ATOM 0 HD2 ARG B 17 16.552 -5.876 -14.379 1.00 0.00 H new ATOM 0 HD3 ARG B 17 15.168 -6.227 -15.395 1.00 0.00 H new ATOM 0 HE ARG B 17 15.959 -3.551 -15.954 1.00 0.00 H new ATOM 0 HH11 ARG B 17 17.293 -6.838 -16.280 1.00 0.00 H new ATOM 0 HH12 ARG B 17 18.243 -6.428 -17.712 1.00 0.00 H new ATOM 0 HH21 ARG B 17 17.161 -3.053 -17.818 1.00 0.00 H new ATOM 0 HH22 ARG B 17 18.168 -4.288 -18.582 1.00 0.00 H new ATOM 228 N ARG B 18 13.556 -4.107 -9.598 1.00 0.00 N ATOM 229 CA ARG B 18 14.141 -3.562 -8.382 1.00 0.00 C ATOM 230 C ARG B 18 13.469 -4.220 -7.179 1.00 0.00 C ATOM 231 O ARG B 18 12.569 -5.045 -7.330 1.00 0.00 O ATOM 232 CB ARG B 18 13.887 -2.047 -8.317 1.00 0.00 C ATOM 233 CG ARG B 18 14.440 -1.287 -9.524 1.00 0.00 C ATOM 234 CD ARG B 18 14.351 0.229 -9.314 1.00 0.00 C ATOM 235 NE ARG B 18 12.957 0.697 -9.272 1.00 0.00 N ATOM 236 CZ ARG B 18 12.219 0.962 -8.180 1.00 0.00 C ATOM 237 NH1 ARG B 18 12.691 0.757 -6.943 1.00 0.00 N ATOM 238 NH2 ARG B 18 10.983 1.442 -8.347 1.00 0.00 N ATOM 0 H ARG B 18 12.550 -4.248 -9.510 1.00 0.00 H new ATOM 0 HA ARG B 18 15.214 -3.754 -8.376 1.00 0.00 H new ATOM 0 HB2 ARG B 18 12.814 -1.869 -8.245 1.00 0.00 H new ATOM 0 HB3 ARG B 18 14.338 -1.649 -7.408 1.00 0.00 H new ATOM 0 HG2 ARG B 18 15.478 -1.573 -9.692 1.00 0.00 H new ATOM 0 HG3 ARG B 18 13.883 -1.566 -10.419 1.00 0.00 H new ATOM 0 HD2 ARG B 18 14.852 0.496 -8.383 1.00 0.00 H new ATOM 0 HD3 ARG B 18 14.881 0.739 -10.119 1.00 0.00 H new ATOM 0 HE ARG B 18 12.499 0.836 -10.173 1.00 0.00 H new ATOM 0 HH11 ARG B 18 13.634 0.391 -6.811 1.00 0.00 H new ATOM 0 HH12 ARG B 18 12.108 0.967 -6.133 1.00 0.00 H new ATOM 0 HH21 ARG B 18 10.620 1.599 -9.287 1.00 0.00 H new ATOM 0 HH22 ARG B 18 10.403 1.651 -7.534 1.00 0.00 H new ATOM 252 N SER B 19 13.893 -3.820 -5.977 1.00 0.00 N ATOM 253 CA SER B 19 13.192 -4.169 -4.753 1.00 0.00 C ATOM 254 C SER B 19 11.826 -3.479 -4.814 1.00 0.00 C ATOM 255 O SER B 19 11.759 -2.271 -5.042 1.00 0.00 O ATOM 256 CB SER B 19 13.999 -3.707 -3.536 1.00 0.00 C ATOM 257 OG SER B 19 13.352 -4.118 -2.350 1.00 0.00 O ATOM 0 H SER B 19 14.726 -3.250 -5.832 1.00 0.00 H new ATOM 0 HA SER B 19 13.064 -5.247 -4.658 1.00 0.00 H new ATOM 0 HB2 SER B 19 15.005 -4.124 -3.576 1.00 0.00 H new ATOM 0 HB3 SER B 19 14.103 -2.622 -3.547 1.00 0.00 H new ATOM 0 HG SER B 19 13.872 -3.822 -1.574 1.00 0.00 H new ATOM 263 N GLN B 20 10.745 -4.253 -4.675 1.00 0.00 N ATOM 264 CA GLN B 20 9.387 -3.760 -4.860 1.00 0.00 C ATOM 265 C GLN B 20 8.962 -2.844 -3.708 1.00 0.00 C ATOM 266 O GLN B 20 9.710 -2.656 -2.750 1.00 0.00 O ATOM 267 CB GLN B 20 8.422 -4.945 -5.023 1.00 0.00 C ATOM 268 CG GLN B 20 8.755 -5.826 -6.234 1.00 0.00 C ATOM 269 CD GLN B 20 8.667 -5.060 -7.554 1.00 0.00 C ATOM 270 OE1 GLN B 20 7.572 -4.781 -8.038 1.00 0.00 O ATOM 271 NE2 GLN B 20 9.817 -4.723 -8.141 1.00 0.00 N ATOM 0 H GLN B 20 10.793 -5.242 -4.430 1.00 0.00 H new ATOM 0 HA GLN B 20 9.355 -3.159 -5.769 1.00 0.00 H new ATOM 0 HB2 GLN B 20 8.447 -5.554 -4.119 1.00 0.00 H new ATOM 0 HB3 GLN B 20 7.405 -4.567 -5.124 1.00 0.00 H new ATOM 0 HG2 GLN B 20 9.760 -6.232 -6.119 1.00 0.00 H new ATOM 0 HG3 GLN B 20 8.070 -6.674 -6.263 1.00 0.00 H new ATOM 0 HE21 GLN B 20 10.705 -4.974 -7.706 1.00 0.00 H new ATOM 0 HE22 GLN B 20 9.808 -4.214 -9.025 1.00 0.00 H new ATOM 280 N LEU B 21 7.753 -2.282 -3.843 1.00 0.00 N ATOM 281 CA LEU B 21 7.121 -1.284 -2.989 1.00 0.00 C ATOM 282 C LEU B 21 8.118 -0.309 -2.355 1.00 0.00 C ATOM 283 O LEU B 21 8.525 -0.476 -1.208 1.00 0.00 O ATOM 284 CB LEU B 21 6.146 -1.929 -1.986 1.00 0.00 C ATOM 285 CG LEU B 21 6.770 -2.903 -0.971 1.00 0.00 C ATOM 286 CD1 LEU B 21 6.633 -2.355 0.454 1.00 0.00 C ATOM 287 CD2 LEU B 21 6.101 -4.283 -1.031 1.00 0.00 C ATOM 0 H LEU B 21 7.146 -2.540 -4.621 1.00 0.00 H new ATOM 0 HA LEU B 21 6.511 -0.653 -3.636 1.00 0.00 H new ATOM 0 HB2 LEU B 21 5.644 -1.134 -1.435 1.00 0.00 H new ATOM 0 HB3 LEU B 21 5.379 -2.462 -2.547 1.00 0.00 H new ATOM 0 HG LEU B 21 7.823 -3.006 -1.232 1.00 0.00 H new ATOM 0 HD11 LEU B 21 7.080 -3.057 1.158 1.00 0.00 H new ATOM 0 HD12 LEU B 21 7.144 -1.395 0.525 1.00 0.00 H new ATOM 0 HD13 LEU B 21 5.578 -2.223 0.693 1.00 0.00 H new ATOM 0 HD21 LEU B 21 6.567 -4.945 -0.301 1.00 0.00 H new ATOM 0 HD22 LEU B 21 5.039 -4.183 -0.805 1.00 0.00 H new ATOM 0 HD23 LEU B 21 6.221 -4.702 -2.030 1.00 0.00 H new ATOM 299 N ASP B 22 8.479 0.744 -3.099 1.00 0.00 N ATOM 300 CA ASP B 22 9.247 1.855 -2.552 1.00 0.00 C ATOM 301 C ASP B 22 8.422 2.610 -1.502 1.00 0.00 C ATOM 302 O ASP B 22 7.311 2.216 -1.144 1.00 0.00 O ATOM 303 CB ASP B 22 9.697 2.822 -3.664 1.00 0.00 C ATOM 304 CG ASP B 22 10.446 2.151 -4.812 1.00 0.00 C ATOM 305 OD1 ASP B 22 11.197 1.188 -4.545 1.00 0.00 O ATOM 306 OD2 ASP B 22 10.281 2.637 -5.951 1.00 0.00 O ATOM 0 H ASP B 22 8.247 0.844 -4.087 1.00 0.00 H new ATOM 0 HA ASP B 22 10.137 1.443 -2.077 1.00 0.00 H new ATOM 0 HB2 ASP B 22 8.820 3.330 -4.065 1.00 0.00 H new ATOM 0 HB3 ASP B 22 10.337 3.588 -3.226 1.00 0.00 H new ATOM 311 N ARG B 23 8.988 3.720 -1.023 1.00 0.00 N ATOM 312 CA ARG B 23 8.425 4.606 -0.022 1.00 0.00 C ATOM 313 C ARG B 23 6.967 4.971 -0.345 1.00 0.00 C ATOM 314 O ARG B 23 6.057 4.431 0.275 1.00 0.00 O ATOM 315 CB ARG B 23 9.394 5.794 0.104 1.00 0.00 C ATOM 316 CG ARG B 23 8.981 6.909 1.064 1.00 0.00 C ATOM 317 CD ARG B 23 8.378 6.409 2.379 1.00 0.00 C ATOM 318 NE ARG B 23 9.207 5.394 3.042 1.00 0.00 N ATOM 319 CZ ARG B 23 8.768 4.574 4.014 1.00 0.00 C ATOM 320 NH1 ARG B 23 7.493 4.603 4.416 1.00 0.00 N ATOM 321 NH2 ARG B 23 9.609 3.725 4.615 1.00 0.00 N ATOM 0 H ARG B 23 9.903 4.035 -1.346 1.00 0.00 H new ATOM 0 HA ARG B 23 8.342 4.130 0.955 1.00 0.00 H new ATOM 0 HB2 ARG B 23 10.364 5.411 0.422 1.00 0.00 H new ATOM 0 HB3 ARG B 23 9.532 6.229 -0.886 1.00 0.00 H new ATOM 0 HG2 ARG B 23 9.853 7.524 1.287 1.00 0.00 H new ATOM 0 HG3 ARG B 23 8.256 7.553 0.566 1.00 0.00 H new ATOM 0 HD2 ARG B 23 8.240 7.254 3.053 1.00 0.00 H new ATOM 0 HD3 ARG B 23 7.390 5.992 2.184 1.00 0.00 H new ATOM 0 HE ARG B 23 10.179 5.305 2.746 1.00 0.00 H new ATOM 0 HH11 ARG B 23 6.837 5.254 3.984 1.00 0.00 H new ATOM 0 HH12 ARG B 23 7.177 3.974 5.154 1.00 0.00 H new ATOM 0 HH21 ARG B 23 10.590 3.696 4.337 1.00 0.00 H new ATOM 0 HH22 ARG B 23 9.269 3.106 5.351 1.00 0.00 H new ATOM 335 N ASP B 24 6.735 5.861 -1.315 1.00 0.00 N ATOM 336 CA ASP B 24 5.409 6.304 -1.746 1.00 0.00 C ATOM 337 C ASP B 24 4.521 5.217 -2.389 1.00 0.00 C ATOM 338 O ASP B 24 3.316 5.425 -2.508 1.00 0.00 O ATOM 339 CB ASP B 24 5.576 7.506 -2.685 1.00 0.00 C ATOM 340 CG ASP B 24 4.236 8.125 -3.088 1.00 0.00 C ATOM 341 OD1 ASP B 24 3.535 8.621 -2.179 1.00 0.00 O ATOM 342 OD2 ASP B 24 3.935 8.085 -4.301 1.00 0.00 O ATOM 0 H ASP B 24 7.490 6.306 -1.837 1.00 0.00 H new ATOM 0 HA ASP B 24 4.867 6.579 -0.842 1.00 0.00 H new ATOM 0 HB2 ASP B 24 6.190 8.263 -2.196 1.00 0.00 H new ATOM 0 HB3 ASP B 24 6.111 7.192 -3.581 1.00 0.00 H new ATOM 347 N GLN B 25 5.068 4.068 -2.812 1.00 0.00 N ATOM 348 CA GLN B 25 4.268 3.008 -3.435 1.00 0.00 C ATOM 349 C GLN B 25 3.346 2.298 -2.438 1.00 0.00 C ATOM 350 O GLN B 25 3.625 2.285 -1.239 1.00 0.00 O ATOM 351 CB GLN B 25 5.176 1.933 -4.036 1.00 0.00 C ATOM 352 CG GLN B 25 5.945 2.391 -5.276 1.00 0.00 C ATOM 353 CD GLN B 25 6.602 1.190 -5.956 1.00 0.00 C ATOM 354 OE1 GLN B 25 7.822 1.087 -6.014 1.00 0.00 O ATOM 355 NE2 GLN B 25 5.791 0.251 -6.446 1.00 0.00 N ATOM 0 H GLN B 25 6.061 3.851 -2.733 1.00 0.00 H new ATOM 0 HA GLN B 25 3.668 3.503 -4.198 1.00 0.00 H new ATOM 0 HB2 GLN B 25 5.889 1.609 -3.278 1.00 0.00 H new ATOM 0 HB3 GLN B 25 4.571 1.065 -4.296 1.00 0.00 H new ATOM 0 HG2 GLN B 25 5.268 2.888 -5.971 1.00 0.00 H new ATOM 0 HG3 GLN B 25 6.704 3.120 -4.994 1.00 0.00 H new ATOM 0 HE21 GLN B 25 4.780 0.367 -6.382 1.00 0.00 H new ATOM 0 HE22 GLN B 25 6.182 -0.583 -6.885 1.00 0.00 H new ATOM 364 N CYS B 26 2.291 1.643 -2.956 1.00 0.00 N ATOM 365 CA CYS B 26 1.463 0.737 -2.167 1.00 0.00 C ATOM 366 C CYS B 26 2.227 -0.555 -1.913 1.00 0.00 C ATOM 367 O CYS B 26 2.939 -1.055 -2.784 1.00 0.00 O ATOM 368 CB CYS B 26 0.117 0.411 -2.831 1.00 0.00 C ATOM 369 SG CYS B 26 -0.896 -0.716 -1.808 1.00 0.00 S ATOM 0 H CYS B 26 1.997 1.732 -3.929 1.00 0.00 H new ATOM 0 HA CYS B 26 1.239 1.248 -1.231 1.00 0.00 H new ATOM 0 HB2 CYS B 26 -0.434 1.335 -3.007 1.00 0.00 H new ATOM 0 HB3 CYS B 26 0.294 -0.044 -3.805 1.00 0.00 H new ATOM 374 N ALA B 27 2.040 -1.108 -0.714 1.00 0.00 N ATOM 375 CA ALA B 27 2.684 -2.323 -0.256 1.00 0.00 C ATOM 376 C ALA B 27 1.878 -3.576 -0.616 1.00 0.00 C ATOM 377 O ALA B 27 1.934 -4.575 0.098 1.00 0.00 O ATOM 378 CB ALA B 27 2.840 -2.195 1.254 1.00 0.00 C ATOM 0 H ALA B 27 1.414 -0.703 -0.018 1.00 0.00 H new ATOM 0 HA ALA B 27 3.650 -2.440 -0.746 1.00 0.00 H new ATOM 0 HB1 ALA B 27 3.322 -3.090 1.647 1.00 0.00 H new ATOM 0 HB2 ALA B 27 3.451 -1.322 1.484 1.00 0.00 H new ATOM 0 HB3 ALA B 27 1.858 -2.081 1.713 1.00 0.00 H new ATOM 384 N TYR B 28 1.127 -3.531 -1.721 1.00 0.00 N ATOM 385 CA TYR B 28 0.143 -4.546 -2.073 1.00 0.00 C ATOM 386 C TYR B 28 -0.008 -4.584 -3.587 1.00 0.00 C ATOM 387 O TYR B 28 0.158 -5.631 -4.209 1.00 0.00 O ATOM 388 CB TYR B 28 -1.183 -4.158 -1.405 1.00 0.00 C ATOM 389 CG TYR B 28 -2.252 -5.228 -1.303 1.00 0.00 C ATOM 390 CD1 TYR B 28 -2.988 -5.612 -2.441 1.00 0.00 C ATOM 391 CD2 TYR B 28 -2.567 -5.786 -0.051 1.00 0.00 C ATOM 392 CE1 TYR B 28 -4.126 -6.425 -2.302 1.00 0.00 C ATOM 393 CE2 TYR B 28 -3.685 -6.629 0.082 1.00 0.00 C ATOM 394 CZ TYR B 28 -4.488 -6.914 -1.035 1.00 0.00 C ATOM 395 OH TYR B 28 -5.618 -7.665 -0.885 1.00 0.00 O ATOM 0 H TYR B 28 1.191 -2.775 -2.403 1.00 0.00 H new ATOM 0 HA TYR B 28 0.451 -5.535 -1.733 1.00 0.00 H new ATOM 0 HB2 TYR B 28 -0.962 -3.805 -0.398 1.00 0.00 H new ATOM 0 HB3 TYR B 28 -1.602 -3.314 -1.953 1.00 0.00 H new ATOM 0 HD1 TYR B 28 -2.678 -5.281 -3.421 1.00 0.00 H new ATOM 0 HD2 TYR B 28 -1.950 -5.567 0.808 1.00 0.00 H new ATOM 0 HE1 TYR B 28 -4.722 -6.674 -3.168 1.00 0.00 H new ATOM 0 HE2 TYR B 28 -3.926 -7.058 1.044 1.00 0.00 H new ATOM 0 HH TYR B 28 -5.718 -7.922 0.056 1.00 0.00 H new ATOM 405 N CYS B 29 -0.322 -3.414 -4.149 1.00 0.00 N ATOM 406 CA CYS B 29 -0.722 -3.233 -5.543 1.00 0.00 C ATOM 407 C CYS B 29 0.372 -2.542 -6.343 1.00 0.00 C ATOM 408 O CYS B 29 0.380 -2.624 -7.570 1.00 0.00 O ATOM 409 CB CYS B 29 -2.058 -2.479 -5.665 1.00 0.00 C ATOM 410 SG CYS B 29 -3.176 -2.623 -4.269 1.00 0.00 S ATOM 0 H CYS B 29 -0.303 -2.538 -3.627 1.00 0.00 H new ATOM 0 HA CYS B 29 -0.873 -4.226 -5.965 1.00 0.00 H new ATOM 0 HB2 CYS B 29 -1.842 -1.422 -5.824 1.00 0.00 H new ATOM 0 HB3 CYS B 29 -2.574 -2.837 -6.556 1.00 0.00 H new ATOM 415 N LYS B 30 1.294 -1.872 -5.641 1.00 0.00 N ATOM 416 CA LYS B 30 2.432 -1.183 -6.234 1.00 0.00 C ATOM 417 C LYS B 30 1.904 -0.061 -7.136 1.00 0.00 C ATOM 418 O LYS B 30 2.414 0.178 -8.229 1.00 0.00 O ATOM 419 CB LYS B 30 3.350 -2.172 -6.984 1.00 0.00 C ATOM 420 CG LYS B 30 3.512 -3.571 -6.365 1.00 0.00 C ATOM 421 CD LYS B 30 3.597 -3.615 -4.834 1.00 0.00 C ATOM 422 CE LYS B 30 4.032 -5.008 -4.366 1.00 0.00 C ATOM 423 NZ LYS B 30 3.584 -5.277 -2.987 1.00 0.00 N ATOM 0 H LYS B 30 1.263 -1.796 -4.624 1.00 0.00 H new ATOM 0 HA LYS B 30 3.052 -0.737 -5.456 1.00 0.00 H new ATOM 0 HB2 LYS B 30 2.966 -2.291 -7.997 1.00 0.00 H new ATOM 0 HB3 LYS B 30 4.339 -1.721 -7.069 1.00 0.00 H new ATOM 0 HG2 LYS B 30 2.671 -4.188 -6.682 1.00 0.00 H new ATOM 0 HG3 LYS B 30 4.414 -4.027 -6.774 1.00 0.00 H new ATOM 0 HD2 LYS B 30 4.307 -2.867 -4.481 1.00 0.00 H new ATOM 0 HD3 LYS B 30 2.628 -3.365 -4.402 1.00 0.00 H new ATOM 0 HE2 LYS B 30 3.623 -5.763 -5.037 1.00 0.00 H new ATOM 0 HE3 LYS B 30 5.118 -5.089 -4.420 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 4.188 -6.009 -2.562 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 3.650 -4.405 -2.424 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 2.598 -5.607 -3.000 1.00 0.00 H new ATOM 437 N GLU B 31 0.843 0.596 -6.656 1.00 0.00 N ATOM 438 CA GLU B 31 0.023 1.531 -7.410 1.00 0.00 C ATOM 439 C GLU B 31 0.732 2.848 -7.714 1.00 0.00 C ATOM 440 O GLU B 31 1.807 3.142 -7.193 1.00 0.00 O ATOM 441 CB GLU B 31 -1.303 1.784 -6.664 1.00 0.00 C ATOM 442 CG GLU B 31 -2.522 1.236 -7.419 1.00 0.00 C ATOM 443 CD GLU B 31 -3.035 2.085 -8.574 1.00 0.00 C ATOM 444 OE1 GLU B 31 -2.252 2.346 -9.509 1.00 0.00 O ATOM 445 OE2 GLU B 31 -4.237 2.431 -8.506 1.00 0.00 O ATOM 0 H GLU B 31 0.525 0.482 -5.694 1.00 0.00 H new ATOM 0 HA GLU B 31 -0.180 1.069 -8.376 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -1.254 1.322 -5.678 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -1.429 2.855 -6.508 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -2.270 0.248 -7.805 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -3.335 1.101 -6.705 1.00 0.00 H new ATOM 452 N LYS B 32 0.041 3.630 -8.549 1.00 0.00 N ATOM 453 CA LYS B 32 0.265 5.019 -8.927 1.00 0.00 C ATOM 454 C LYS B 32 0.993 5.821 -7.852 1.00 0.00 C ATOM 455 O LYS B 32 2.034 6.424 -8.105 1.00 0.00 O ATOM 456 CB LYS B 32 -1.110 5.625 -9.260 1.00 0.00 C ATOM 457 CG LYS B 32 -2.128 5.696 -8.107 1.00 0.00 C ATOM 458 CD LYS B 32 -3.559 5.736 -8.646 1.00 0.00 C ATOM 459 CE LYS B 32 -4.563 5.996 -7.519 1.00 0.00 C ATOM 460 NZ LYS B 32 -5.938 6.094 -8.038 1.00 0.00 N ATOM 0 H LYS B 32 -0.780 3.258 -9.027 1.00 0.00 H new ATOM 0 HA LYS B 32 0.926 5.059 -9.793 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -0.955 6.635 -9.640 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -1.552 5.044 -10.070 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -2.005 4.832 -7.454 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -1.938 6.583 -7.502 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -3.645 6.517 -9.402 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -3.793 4.791 -9.136 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -4.506 5.192 -6.785 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -4.301 6.919 -7.002 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -6.594 6.270 -7.251 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -5.997 6.877 -8.720 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -6.195 5.204 -8.510 1.00 0.00 H new ATOM 474 N GLY B 33 0.418 5.802 -6.652 1.00 0.00 N ATOM 475 CA GLY B 33 0.954 6.451 -5.475 1.00 0.00 C ATOM 476 C GLY B 33 0.006 6.391 -4.280 1.00 0.00 C ATOM 477 O GLY B 33 0.152 7.209 -3.373 1.00 0.00 O ATOM 0 H GLY B 33 -0.462 5.317 -6.474 1.00 0.00 H new ATOM 0 HA2 GLY B 33 1.900 5.981 -5.206 1.00 0.00 H new ATOM 0 HA3 GLY B 33 1.171 7.493 -5.708 1.00 0.00 H new ATOM 481 N HIS B 34 -0.951 5.444 -4.252 1.00 0.00 N ATOM 482 CA HIS B 34 -1.715 5.210 -3.030 1.00 0.00 C ATOM 483 C HIS B 34 -0.877 4.300 -2.134 1.00 0.00 C ATOM 484 O HIS B 34 0.135 3.757 -2.577 1.00 0.00 O ATOM 485 CB HIS B 34 -3.160 4.722 -3.280 1.00 0.00 C ATOM 486 CG HIS B 34 -3.412 3.249 -3.531 1.00 0.00 C ATOM 487 ND1 HIS B 34 -4.283 2.756 -4.475 1.00 0.00 N ATOM 488 CD2 HIS B 34 -2.990 2.120 -2.888 1.00 0.00 C ATOM 489 CE1 HIS B 34 -4.330 1.421 -4.293 1.00 0.00 C ATOM 490 NE2 HIS B 34 -3.503 0.918 -3.364 1.00 0.00 N ATOM 0 H HIS B 34 -1.203 4.849 -5.041 1.00 0.00 H new ATOM 0 HA HIS B 34 -1.887 6.154 -2.512 1.00 0.00 H new ATOM 0 HB2 HIS B 34 -3.758 5.014 -2.417 1.00 0.00 H new ATOM 0 HB3 HIS B 34 -3.548 5.272 -4.138 1.00 0.00 H new ATOM 0 HD1 HIS B 34 -4.793 3.295 -5.175 1.00 0.00 H new ATOM 0 HD2 HIS B 34 -2.299 2.158 -2.059 1.00 0.00 H new ATOM 0 HE1 HIS B 34 -4.997 0.791 -4.864 1.00 0.00 H new ATOM 498 N TRP B 35 -1.286 4.153 -0.874 1.00 0.00 N ATOM 499 CA TRP B 35 -0.537 3.419 0.132 1.00 0.00 C ATOM 500 C TRP B 35 -1.271 2.184 0.631 1.00 0.00 C ATOM 501 O TRP B 35 -2.443 2.009 0.333 1.00 0.00 O ATOM 502 CB TRP B 35 -0.192 4.375 1.266 1.00 0.00 C ATOM 503 CG TRP B 35 1.254 4.695 1.361 1.00 0.00 C ATOM 504 CD1 TRP B 35 2.132 4.773 0.339 1.00 0.00 C ATOM 505 CD2 TRP B 35 2.013 4.954 2.561 1.00 0.00 C ATOM 506 NE1 TRP B 35 3.397 4.978 0.833 1.00 0.00 N ATOM 507 CE2 TRP B 35 3.378 5.102 2.203 1.00 0.00 C ATOM 508 CE3 TRP B 35 1.678 5.070 3.920 1.00 0.00 C ATOM 509 CZ2 TRP B 35 4.367 5.344 3.155 1.00 0.00 C ATOM 510 CZ3 TRP B 35 2.648 5.382 4.875 1.00 0.00 C ATOM 511 CH2 TRP B 35 3.989 5.520 4.493 1.00 0.00 C ATOM 0 H TRP B 35 -2.159 4.548 -0.524 1.00 0.00 H new ATOM 0 HA TRP B 35 0.379 3.038 -0.320 1.00 0.00 H new ATOM 0 HB2 TRP B 35 -0.751 5.301 1.131 1.00 0.00 H new ATOM 0 HB3 TRP B 35 -0.521 3.939 2.209 1.00 0.00 H new ATOM 0 HD1 TRP B 35 1.879 4.687 -0.707 1.00 0.00 H new ATOM 0 HE1 TRP B 35 4.239 5.031 0.260 1.00 0.00 H new ATOM 0 HE3 TRP B 35 0.655 4.916 4.231 1.00 0.00 H new ATOM 0 HZ2 TRP B 35 5.407 5.395 2.867 1.00 0.00 H new ATOM 0 HZ3 TRP B 35 2.364 5.517 5.908 1.00 0.00 H new ATOM 0 HH2 TRP B 35 4.736 5.763 5.234 1.00 0.00 H new ATOM 522 N ALA B 36 -0.582 1.340 1.409 1.00 0.00 N ATOM 523 CA ALA B 36 -1.146 0.143 2.017 1.00 0.00 C ATOM 524 C ALA B 36 -2.152 0.594 3.073 1.00 0.00 C ATOM 525 O ALA B 36 -3.233 0.027 3.226 1.00 0.00 O ATOM 526 CB ALA B 36 -0.007 -0.686 2.609 1.00 0.00 C ATOM 0 H ALA B 36 0.403 1.479 1.634 1.00 0.00 H new ATOM 0 HA ALA B 36 -1.664 -0.486 1.293 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -0.413 -1.587 3.069 1.00 0.00 H new ATOM 0 HB2 ALA B 36 0.689 -0.965 1.818 1.00 0.00 H new ATOM 0 HB3 ALA B 36 0.517 -0.099 3.363 1.00 0.00 H new ATOM 532 N LYS B 37 -1.765 1.682 3.744 1.00 0.00 N ATOM 533 CA LYS B 37 -2.538 2.504 4.643 1.00 0.00 C ATOM 534 C LYS B 37 -3.908 2.849 4.037 1.00 0.00 C ATOM 535 O LYS B 37 -4.943 2.675 4.677 1.00 0.00 O ATOM 536 CB LYS B 37 -1.685 3.752 4.867 1.00 0.00 C ATOM 537 CG LYS B 37 -2.250 4.675 5.931 1.00 0.00 C ATOM 538 CD LYS B 37 -1.308 5.855 6.212 1.00 0.00 C ATOM 539 CE LYS B 37 -1.293 6.887 5.073 1.00 0.00 C ATOM 540 NZ LYS B 37 -0.170 7.827 5.214 1.00 0.00 N ATOM 0 H LYS B 37 -0.811 2.032 3.654 1.00 0.00 H new ATOM 0 HA LYS B 37 -2.757 1.996 5.582 1.00 0.00 H new ATOM 0 HB2 LYS B 37 -0.678 3.450 5.154 1.00 0.00 H new ATOM 0 HB3 LYS B 37 -1.598 4.299 3.928 1.00 0.00 H new ATOM 0 HG2 LYS B 37 -3.221 5.052 5.609 1.00 0.00 H new ATOM 0 HG3 LYS B 37 -2.415 4.113 6.850 1.00 0.00 H new ATOM 0 HD2 LYS B 37 -1.612 6.345 7.137 1.00 0.00 H new ATOM 0 HD3 LYS B 37 -0.297 5.478 6.369 1.00 0.00 H new ATOM 0 HE2 LYS B 37 -1.220 6.372 4.115 1.00 0.00 H new ATOM 0 HE3 LYS B 37 -2.233 7.439 5.068 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 -0.434 8.747 4.806 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 0.057 7.948 6.222 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 0.661 7.452 4.714 1.00 0.00 H new ATOM 554 N ASP B 38 -3.886 3.348 2.796 1.00 0.00 N ATOM 555 CA ASP B 38 -5.010 3.927 2.063 1.00 0.00 C ATOM 556 C ASP B 38 -5.817 2.886 1.279 1.00 0.00 C ATOM 557 O ASP B 38 -7.025 3.030 1.107 1.00 0.00 O ATOM 558 CB ASP B 38 -4.433 4.914 1.035 1.00 0.00 C ATOM 559 CG ASP B 38 -5.528 5.700 0.319 1.00 0.00 C ATOM 560 OD1 ASP B 38 -6.034 6.659 0.940 1.00 0.00 O ATOM 561 OD2 ASP B 38 -5.837 5.326 -0.833 1.00 0.00 O ATOM 0 H ASP B 38 -3.028 3.357 2.245 1.00 0.00 H new ATOM 0 HA ASP B 38 -5.674 4.392 2.792 1.00 0.00 H new ATOM 0 HB2 ASP B 38 -3.759 5.607 1.537 1.00 0.00 H new ATOM 0 HB3 ASP B 38 -3.840 4.368 0.301 1.00 0.00 H new ATOM 566 N CYS B 39 -5.103 1.869 0.789 1.00 0.00 N ATOM 567 CA CYS B 39 -5.455 0.849 -0.173 1.00 0.00 C ATOM 568 C CYS B 39 -6.957 0.536 -0.256 1.00 0.00 C ATOM 569 O CYS B 39 -7.485 -0.147 0.620 1.00 0.00 O ATOM 570 CB CYS B 39 -4.605 -0.369 0.171 1.00 0.00 C ATOM 571 SG CYS B 39 -4.509 -1.634 -1.100 1.00 0.00 S ATOM 0 H CYS B 39 -4.143 1.735 1.106 1.00 0.00 H new ATOM 0 HA CYS B 39 -5.243 1.207 -1.181 1.00 0.00 H new ATOM 0 HB2 CYS B 39 -3.594 -0.031 0.399 1.00 0.00 H new ATOM 0 HB3 CYS B 39 -5.002 -0.822 1.079 1.00 0.00 H new ATOM 576 N PRO B 40 -7.651 1.022 -1.301 1.00 0.00 N ATOM 577 CA PRO B 40 -9.028 0.678 -1.616 1.00 0.00 C ATOM 578 C PRO B 40 -9.101 -0.599 -2.469 1.00 0.00 C ATOM 579 O PRO B 40 -10.171 -1.191 -2.594 1.00 0.00 O ATOM 580 CB PRO B 40 -9.541 1.888 -2.395 1.00 0.00 C ATOM 581 CG PRO B 40 -8.322 2.304 -3.213 1.00 0.00 C ATOM 582 CD PRO B 40 -7.150 1.959 -2.295 1.00 0.00 C ATOM 0 HA PRO B 40 -9.620 0.470 -0.725 1.00 0.00 H new ATOM 0 HB2 PRO B 40 -10.387 1.630 -3.032 1.00 0.00 H new ATOM 0 HB3 PRO B 40 -9.874 2.685 -1.731 1.00 0.00 H new ATOM 0 HG2 PRO B 40 -8.267 1.762 -4.157 1.00 0.00 H new ATOM 0 HG3 PRO B 40 -8.344 3.366 -3.456 1.00 0.00 H new ATOM 0 HD2 PRO B 40 -6.332 1.517 -2.864 1.00 0.00 H new ATOM 0 HD3 PRO B 40 -6.758 2.856 -1.816 1.00 0.00 H new ATOM 590 N LYS B 41 -7.971 -1.026 -3.051 1.00 0.00 N ATOM 591 CA LYS B 41 -7.780 -2.278 -3.742 1.00 0.00 C ATOM 592 C LYS B 41 -7.885 -3.427 -2.730 1.00 0.00 C ATOM 593 O LYS B 41 -8.434 -4.484 -3.034 1.00 0.00 O ATOM 594 CB LYS B 41 -6.401 -2.184 -4.409 1.00 0.00 C ATOM 595 CG LYS B 41 -6.510 -1.706 -5.863 1.00 0.00 C ATOM 596 CD LYS B 41 -5.187 -1.599 -6.628 1.00 0.00 C ATOM 597 CE LYS B 41 -5.387 -1.201 -8.097 1.00 0.00 C ATOM 598 NZ LYS B 41 -5.898 0.173 -8.253 1.00 0.00 N ATOM 0 H LYS B 41 -7.122 -0.460 -3.043 1.00 0.00 H new ATOM 0 HA LYS B 41 -8.535 -2.473 -4.504 1.00 0.00 H new ATOM 0 HB2 LYS B 41 -5.769 -1.497 -3.846 1.00 0.00 H new ATOM 0 HB3 LYS B 41 -5.915 -3.159 -4.381 1.00 0.00 H new ATOM 0 HG2 LYS B 41 -7.166 -2.389 -6.402 1.00 0.00 H new ATOM 0 HG3 LYS B 41 -6.992 -0.729 -5.870 1.00 0.00 H new ATOM 0 HD2 LYS B 41 -4.547 -0.864 -6.140 1.00 0.00 H new ATOM 0 HD3 LYS B 41 -4.666 -2.555 -6.582 1.00 0.00 H new ATOM 0 HE2 LYS B 41 -4.438 -1.293 -8.626 1.00 0.00 H new ATOM 0 HE3 LYS B 41 -6.082 -1.898 -8.566 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 -6.677 0.178 -8.942 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 -6.245 0.521 -7.336 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 -5.133 0.792 -8.591 1.00 0.00 H new ATOM 612 N LYS B 42 -7.388 -3.186 -1.513 1.00 0.00 N ATOM 613 CA LYS B 42 -7.572 -4.026 -0.344 1.00 0.00 C ATOM 614 C LYS B 42 -9.046 -3.894 0.073 1.00 0.00 C ATOM 615 O LYS B 42 -9.614 -2.813 -0.070 1.00 0.00 O ATOM 616 CB LYS B 42 -6.619 -3.521 0.754 1.00 0.00 C ATOM 617 CG LYS B 42 -6.722 -4.273 2.080 1.00 0.00 C ATOM 618 CD LYS B 42 -6.013 -3.526 3.221 1.00 0.00 C ATOM 619 CE LYS B 42 -4.491 -3.440 3.059 1.00 0.00 C ATOM 620 NZ LYS B 42 -3.884 -4.778 3.028 1.00 0.00 N ATOM 0 H LYS B 42 -6.822 -2.361 -1.316 1.00 0.00 H new ATOM 0 HA LYS B 42 -7.347 -5.076 -0.533 1.00 0.00 H new ATOM 0 HB2 LYS B 42 -5.594 -3.593 0.389 1.00 0.00 H new ATOM 0 HB3 LYS B 42 -6.820 -2.465 0.934 1.00 0.00 H new ATOM 0 HG2 LYS B 42 -7.772 -4.414 2.336 1.00 0.00 H new ATOM 0 HG3 LYS B 42 -6.285 -5.265 1.969 1.00 0.00 H new ATOM 0 HD2 LYS B 42 -6.419 -2.516 3.288 1.00 0.00 H new ATOM 0 HD3 LYS B 42 -6.240 -4.024 4.164 1.00 0.00 H new ATOM 0 HE2 LYS B 42 -4.250 -2.907 2.139 1.00 0.00 H new ATOM 0 HE3 LYS B 42 -4.067 -2.864 3.882 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 -2.971 -4.756 3.525 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 -4.517 -5.457 3.496 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 -3.734 -5.068 2.041 1.00 0.00 H new ATOM 634 N PRO B 43 -9.689 -4.960 0.579 1.00 0.00 N ATOM 635 CA PRO B 43 -11.106 -4.938 0.920 1.00 0.00 C ATOM 636 C PRO B 43 -11.370 -4.116 2.188 1.00 0.00 C ATOM 637 O PRO B 43 -12.411 -3.469 2.288 1.00 0.00 O ATOM 638 CB PRO B 43 -11.508 -6.407 1.077 1.00 0.00 C ATOM 639 CG PRO B 43 -10.212 -7.095 1.505 1.00 0.00 C ATOM 640 CD PRO B 43 -9.118 -6.275 0.818 1.00 0.00 C ATOM 0 HA PRO B 43 -11.702 -4.451 0.148 1.00 0.00 H new ATOM 0 HB2 PRO B 43 -12.292 -6.530 1.824 1.00 0.00 H new ATOM 0 HB3 PRO B 43 -11.890 -6.819 0.143 1.00 0.00 H new ATOM 0 HG2 PRO B 43 -10.095 -7.089 2.589 1.00 0.00 H new ATOM 0 HG3 PRO B 43 -10.189 -8.138 1.188 1.00 0.00 H new ATOM 0 HD2 PRO B 43 -8.230 -6.206 1.447 1.00 0.00 H new ATOM 0 HD3 PRO B 43 -8.810 -6.742 -0.118 1.00 0.00 H new ATOM 648 N ARG B 44 -10.423 -4.134 3.137 1.00 0.00 N ATOM 649 CA ARG B 44 -10.400 -3.362 4.378 1.00 0.00 C ATOM 650 C ARG B 44 -11.345 -3.957 5.424 1.00 0.00 C ATOM 651 O ARG B 44 -10.905 -4.305 6.518 1.00 0.00 O ATOM 652 CB ARG B 44 -10.662 -1.860 4.162 1.00 0.00 C ATOM 653 CG ARG B 44 -9.771 -1.249 3.072 1.00 0.00 C ATOM 654 CD ARG B 44 -9.940 0.273 2.996 1.00 0.00 C ATOM 655 NE ARG B 44 -9.337 0.958 4.148 1.00 0.00 N ATOM 656 CZ ARG B 44 -8.031 1.252 4.284 1.00 0.00 C ATOM 657 NH1 ARG B 44 -7.129 0.875 3.366 1.00 0.00 N ATOM 658 NH2 ARG B 44 -7.622 1.937 5.359 1.00 0.00 N ATOM 0 H ARG B 44 -9.600 -4.730 3.047 1.00 0.00 H new ATOM 0 HA ARG B 44 -9.384 -3.436 4.765 1.00 0.00 H new ATOM 0 HB2 ARG B 44 -11.708 -1.714 3.893 1.00 0.00 H new ATOM 0 HB3 ARG B 44 -10.497 -1.329 5.099 1.00 0.00 H new ATOM 0 HG2 ARG B 44 -8.728 -1.491 3.276 1.00 0.00 H new ATOM 0 HG3 ARG B 44 -10.018 -1.692 2.107 1.00 0.00 H new ATOM 0 HD2 ARG B 44 -9.484 0.642 2.077 1.00 0.00 H new ATOM 0 HD3 ARG B 44 -11.001 0.517 2.946 1.00 0.00 H new ATOM 0 HE ARG B 44 -9.960 1.233 4.907 1.00 0.00 H new ATOM 0 HH11 ARG B 44 -7.428 0.353 2.542 1.00 0.00 H new ATOM 0 HH12 ARG B 44 -6.144 1.110 3.492 1.00 0.00 H new ATOM 0 HH21 ARG B 44 -8.298 2.230 6.064 1.00 0.00 H new ATOM 0 HH22 ARG B 44 -6.634 2.166 5.473 1.00 0.00 H new ATOM 672 N GLY B 45 -12.638 -4.063 5.095 1.00 0.00 N ATOM 673 CA GLY B 45 -13.662 -4.558 6.000 1.00 0.00 C ATOM 674 C GLY B 45 -13.910 -3.560 7.133 1.00 0.00 C ATOM 675 O GLY B 45 -13.598 -3.864 8.283 1.00 0.00 O ATOM 0 H GLY B 45 -12.999 -3.802 4.178 1.00 0.00 H new ATOM 0 HA2 GLY B 45 -14.588 -4.730 5.451 1.00 0.00 H new ATOM 0 HA3 GLY B 45 -13.355 -5.518 6.415 1.00 0.00 H new ATOM 679 N PRO B 46 -14.462 -2.371 6.833 1.00 0.00 N ATOM 680 CA PRO B 46 -14.699 -1.327 7.819 1.00 0.00 C ATOM 681 C PRO B 46 -15.772 -1.745 8.830 1.00 0.00 C ATOM 682 O PRO B 46 -15.630 -1.474 10.021 1.00 0.00 O ATOM 683 CB PRO B 46 -15.115 -0.091 7.016 1.00 0.00 C ATOM 684 CG PRO B 46 -15.726 -0.676 5.743 1.00 0.00 C ATOM 685 CD PRO B 46 -14.893 -1.937 5.513 1.00 0.00 C ATOM 0 HA PRO B 46 -13.809 -1.126 8.415 1.00 0.00 H new ATOM 0 HB2 PRO B 46 -15.835 0.518 7.563 1.00 0.00 H new ATOM 0 HB3 PRO B 46 -14.261 0.548 6.793 1.00 0.00 H new ATOM 0 HG2 PRO B 46 -16.783 -0.908 5.872 1.00 0.00 H new ATOM 0 HG3 PRO B 46 -15.652 0.016 4.904 1.00 0.00 H new ATOM 0 HD2 PRO B 46 -15.482 -2.710 5.020 1.00 0.00 H new ATOM 0 HD3 PRO B 46 -14.037 -1.729 4.871 1.00 0.00 H new ATOM 693 N ARG B 47 -16.836 -2.406 8.358 1.00 0.00 N ATOM 694 CA ARG B 47 -17.910 -2.918 9.192 1.00 0.00 C ATOM 695 C ARG B 47 -18.547 -4.111 8.482 1.00 0.00 C ATOM 696 O ARG B 47 -19.328 -3.934 7.549 1.00 0.00 O ATOM 697 CB ARG B 47 -18.923 -1.800 9.479 1.00 0.00 C ATOM 698 CG ARG B 47 -20.031 -2.278 10.428 1.00 0.00 C ATOM 699 CD ARG B 47 -20.996 -1.141 10.779 1.00 0.00 C ATOM 700 NE ARG B 47 -20.330 -0.086 11.555 1.00 0.00 N ATOM 701 CZ ARG B 47 -20.910 1.058 11.954 1.00 0.00 C ATOM 702 NH1 ARG B 47 -22.194 1.313 11.661 1.00 0.00 N ATOM 703 NH2 ARG B 47 -20.198 1.953 12.652 1.00 0.00 N ATOM 0 H ARG B 47 -16.969 -2.599 7.365 1.00 0.00 H new ATOM 0 HA ARG B 47 -17.528 -3.256 10.155 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -18.409 -0.945 9.919 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -19.366 -1.459 8.543 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -20.583 -3.095 9.963 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -19.585 -2.673 11.341 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -21.406 -0.716 9.863 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -21.835 -1.539 11.350 1.00 0.00 H new ATOM 0 HE ARG B 47 -19.353 -0.233 11.810 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -22.740 0.635 11.130 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -22.624 2.185 11.969 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -19.221 1.764 12.877 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -20.633 2.824 12.958 1.00 0.00 H new ATOM 717 N GLY B 48 -18.206 -5.325 8.928 1.00 0.00 N ATOM 718 CA GLY B 48 -18.754 -6.563 8.398 1.00 0.00 C ATOM 719 C GLY B 48 -18.628 -7.675 9.438 1.00 0.00 C ATOM 720 O GLY B 48 -17.780 -8.552 9.284 1.00 0.00 O ATOM 0 H GLY B 48 -17.531 -5.469 9.679 1.00 0.00 H new ATOM 0 HA2 GLY B 48 -19.801 -6.422 8.129 1.00 0.00 H new ATOM 0 HA3 GLY B 48 -18.226 -6.844 7.487 1.00 0.00 H new ATOM 724 N PRO B 49 -19.463 -7.665 10.491 1.00 0.00 N ATOM 725 CA PRO B 49 -19.441 -8.646 11.562 1.00 0.00 C ATOM 726 C PRO B 49 -20.311 -9.823 11.121 1.00 0.00 C ATOM 727 O PRO B 49 -21.282 -10.178 11.788 1.00 0.00 O ATOM 728 CB PRO B 49 -20.036 -7.893 12.755 1.00 0.00 C ATOM 729 CG PRO B 49 -21.121 -7.036 12.097 1.00 0.00 C ATOM 730 CD PRO B 49 -20.536 -6.710 10.719 1.00 0.00 C ATOM 0 HA PRO B 49 -18.459 -9.047 11.811 1.00 0.00 H new ATOM 0 HB2 PRO B 49 -20.451 -8.573 13.498 1.00 0.00 H new ATOM 0 HB3 PRO B 49 -19.289 -7.283 13.263 1.00 0.00 H new ATOM 0 HG2 PRO B 49 -22.064 -7.577 12.015 1.00 0.00 H new ATOM 0 HG3 PRO B 49 -21.321 -6.132 12.672 1.00 0.00 H new ATOM 0 HD2 PRO B 49 -21.299 -6.791 9.944 1.00 0.00 H new ATOM 0 HD3 PRO B 49 -20.159 -5.688 10.689 1.00 0.00 H new ATOM 738 N ARG B 50 -19.974 -10.404 9.963 1.00 0.00 N ATOM 739 CA ARG B 50 -20.826 -11.369 9.296 1.00 0.00 C ATOM 740 C ARG B 50 -21.127 -12.613 10.150 1.00 0.00 C ATOM 741 O ARG B 50 -22.281 -13.043 10.151 1.00 0.00 O ATOM 742 CB ARG B 50 -20.278 -11.711 7.899 1.00 0.00 C ATOM 743 CG ARG B 50 -21.139 -12.732 7.138 1.00 0.00 C ATOM 744 CD ARG B 50 -22.561 -12.225 6.865 1.00 0.00 C ATOM 745 NE ARG B 50 -23.381 -13.251 6.207 1.00 0.00 N ATOM 746 CZ ARG B 50 -24.014 -14.260 6.833 1.00 0.00 C ATOM 747 NH1 ARG B 50 -23.905 -14.432 8.159 1.00 0.00 N ATOM 748 NH2 ARG B 50 -24.766 -15.108 6.119 1.00 0.00 N ATOM 0 H ARG B 50 -19.102 -10.212 9.471 1.00 0.00 H new ATOM 0 HA ARG B 50 -21.798 -10.895 9.156 1.00 0.00 H new ATOM 0 HB2 ARG B 50 -20.208 -10.796 7.311 1.00 0.00 H new ATOM 0 HB3 ARG B 50 -19.266 -12.104 8.000 1.00 0.00 H new ATOM 0 HG2 ARG B 50 -20.656 -12.973 6.191 1.00 0.00 H new ATOM 0 HG3 ARG B 50 -21.192 -13.656 7.713 1.00 0.00 H new ATOM 0 HD2 ARG B 50 -23.030 -11.930 7.804 1.00 0.00 H new ATOM 0 HD3 ARG B 50 -22.517 -11.335 6.237 1.00 0.00 H new ATOM 0 HE ARG B 50 -23.478 -13.194 5.193 1.00 0.00 H new ATOM 0 HH11 ARG B 50 -23.334 -13.792 8.711 1.00 0.00 H new ATOM 0 HH12 ARG B 50 -24.393 -15.203 8.615 1.00 0.00 H new ATOM 0 HH21 ARG B 50 -24.855 -14.986 5.110 1.00 0.00 H new ATOM 0 HH22 ARG B 50 -25.250 -15.876 6.584 1.00 0.00 H new ATOM 762 N PRO B 51 -20.150 -13.208 10.864 1.00 0.00 N ATOM 763 CA PRO B 51 -20.387 -14.358 11.728 1.00 0.00 C ATOM 764 C PRO B 51 -21.450 -14.048 12.786 1.00 0.00 C ATOM 765 O PRO B 51 -21.217 -13.238 13.680 1.00 0.00 O ATOM 766 CB PRO B 51 -19.033 -14.706 12.358 1.00 0.00 C ATOM 767 CG PRO B 51 -18.032 -14.153 11.349 1.00 0.00 C ATOM 768 CD PRO B 51 -18.731 -12.884 10.869 1.00 0.00 C ATOM 0 HA PRO B 51 -20.777 -15.205 11.164 1.00 0.00 H new ATOM 0 HB2 PRO B 51 -18.914 -14.245 13.339 1.00 0.00 H new ATOM 0 HB3 PRO B 51 -18.916 -15.781 12.495 1.00 0.00 H new ATOM 0 HG2 PRO B 51 -17.067 -13.938 11.808 1.00 0.00 H new ATOM 0 HG3 PRO B 51 -17.848 -14.851 10.532 1.00 0.00 H new ATOM 0 HD2 PRO B 51 -18.521 -12.044 11.532 1.00 0.00 H new ATOM 0 HD3 PRO B 51 -18.389 -12.598 9.874 1.00 0.00 H new ATOM 776 N GLN B 52 -22.622 -14.684 12.657 1.00 0.00 N ATOM 777 CA GLN B 52 -23.781 -14.475 13.516 1.00 0.00 C ATOM 778 C GLN B 52 -24.170 -12.991 13.556 1.00 0.00 C ATOM 779 O GLN B 52 -24.273 -12.393 14.626 1.00 0.00 O ATOM 780 CB GLN B 52 -23.522 -15.090 14.902 1.00 0.00 C ATOM 781 CG GLN B 52 -24.820 -15.295 15.696 1.00 0.00 C ATOM 782 CD GLN B 52 -24.545 -15.913 17.064 1.00 0.00 C ATOM 783 OE1 GLN B 52 -24.683 -15.250 18.089 1.00 0.00 O ATOM 784 NE2 GLN B 52 -24.159 -17.190 17.087 1.00 0.00 N ATOM 0 H GLN B 52 -22.788 -15.378 11.928 1.00 0.00 H new ATOM 0 HA GLN B 52 -24.647 -14.992 13.104 1.00 0.00 H new ATOM 0 HB2 GLN B 52 -23.015 -16.048 14.784 1.00 0.00 H new ATOM 0 HB3 GLN B 52 -22.851 -14.442 15.466 1.00 0.00 H new ATOM 0 HG2 GLN B 52 -25.326 -14.338 15.823 1.00 0.00 H new ATOM 0 HG3 GLN B 52 -25.495 -15.940 15.133 1.00 0.00 H new ATOM 0 HE21 GLN B 52 -24.056 -17.707 16.214 1.00 0.00 H new ATOM 0 HE22 GLN B 52 -23.967 -17.649 17.978 1.00 0.00 H new ATOM 793 N THR B 53 -24.384 -12.403 12.373 1.00 0.00 N ATOM 794 CA THR B 53 -24.860 -11.033 12.231 1.00 0.00 C ATOM 795 C THR B 53 -26.330 -10.932 12.651 1.00 0.00 C ATOM 796 O THR B 53 -27.071 -11.909 12.401 1.00 0.00 O ATOM 797 CB THR B 53 -24.621 -10.536 10.795 1.00 0.00 C ATOM 798 OG1 THR B 53 -24.910 -9.157 10.698 1.00 0.00 O ATOM 799 CG2 THR B 53 -25.437 -11.290 9.737 1.00 0.00 C ATOM 800 OXT THR B 53 -26.687 -9.876 13.217 1.00 0.00 O ATOM 0 H THR B 53 -24.228 -12.874 11.482 1.00 0.00 H new ATOM 0 HA THR B 53 -24.295 -10.380 12.896 1.00 0.00 H new ATOM 0 HB THR B 53 -23.568 -10.727 10.588 1.00 0.00 H new ATOM 0 HG1 THR B 53 -24.752 -8.854 9.780 1.00 0.00 H new ATOM 0 HG21 THR B 53 -25.216 -10.884 8.750 1.00 0.00 H new ATOM 0 HG22 THR B 53 -25.175 -12.348 9.761 1.00 0.00 H new ATOM 0 HG23 THR B 53 -26.500 -11.174 9.947 1.00 0.00 H new TER 808 THR B 53 HETATM 809 ZN ZN B 55 -3.006 -0.969 -2.687 1.00 0.00 ZN