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 180:sc= 0 USER MOD Single : A 5 DC O3' : rot 180:sc= 0 USER MOD Single : B 19 SER OG : rot 79:sc= 0.914 USER MOD Single : B 20 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : B 25 GLN : amide:sc= -1.42 K(o=-1.4,f=-3.7!) USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0.877 (180deg=0.877) USER MOD Single : B 32 LYS NZ :NH3+ -169:sc= 1.2 (180deg=0.981) USER MOD Single : B 37 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.204) USER MOD Single : B 41 LYS NZ :NH3+ 158:sc= -0.0913 (180deg=-0.576) USER MOD Single : B 42 LYS NZ :NH3+ 168:sc= 1.23 (180deg=1.18) USER MOD Single : B 52 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : B 53 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 0.563 -7.872 0.184 1.00 0.00 O ATOM 2 C5' DA A 1 1.791 -7.850 0.879 1.00 0.00 C ATOM 3 C4' DA A 1 1.568 -7.669 2.389 1.00 0.00 C ATOM 4 O4' DA A 1 2.819 -7.692 3.054 1.00 0.00 O ATOM 5 C3' DA A 1 0.890 -6.356 2.788 1.00 0.00 C ATOM 6 O3' DA A 1 0.352 -6.466 4.097 1.00 0.00 O ATOM 7 C2' DA A 1 2.119 -5.474 2.797 1.00 0.00 C ATOM 8 C1' DA A 1 3.092 -6.389 3.537 1.00 0.00 C ATOM 9 N9 DA A 1 4.519 -6.091 3.307 1.00 0.00 N ATOM 10 C8 DA A 1 5.122 -5.642 2.165 1.00 0.00 C ATOM 11 N7 DA A 1 6.419 -5.540 2.244 1.00 0.00 N ATOM 12 C5 DA A 1 6.699 -5.946 3.543 1.00 0.00 C ATOM 13 C6 DA A 1 7.898 -6.064 4.278 1.00 0.00 C ATOM 14 N6 DA A 1 9.098 -5.771 3.763 1.00 0.00 N ATOM 15 N1 DA A 1 7.828 -6.489 5.555 1.00 0.00 N ATOM 16 C2 DA A 1 6.636 -6.773 6.077 1.00 0.00 C ATOM 17 N3 DA A 1 5.441 -6.698 5.496 1.00 0.00 N ATOM 18 C4 DA A 1 5.542 -6.272 4.207 1.00 0.00 C ATOM 0 H5' DA A 1 2.413 -7.039 0.500 1.00 0.00 H new ATOM 0 H5'' DA A 1 2.332 -8.778 0.697 1.00 0.00 H new ATOM 0 H4' DA A 1 0.907 -8.487 2.674 1.00 0.00 H new ATOM 0 H3' DA A 1 0.064 -6.024 2.159 1.00 0.00 H new ATOM 0 H2' DA A 1 2.462 -5.225 1.793 1.00 0.00 H new ATOM 0 H2'' DA A 1 1.953 -4.532 3.319 1.00 0.00 H new ATOM 0 HO5' DA A 1 0.732 -7.986 -0.775 1.00 0.00 H new ATOM 0 H1' DA A 1 2.942 -6.259 4.609 1.00 0.00 H new ATOM 0 H8 DA A 1 4.569 -5.392 1.271 1.00 0.00 H new ATOM 0 H61 DA A 1 9.937 -5.872 4.334 1.00 0.00 H new ATOM 0 H62 DA A 1 9.174 -5.446 2.799 1.00 0.00 H new ATOM 0 H2 DA A 1 6.640 -7.107 7.104 1.00 0.00 H new ATOM 31 P DC A 2 -0.860 -5.536 4.623 1.00 0.00 P ATOM 32 OP1 DC A 2 -1.057 -5.819 6.061 1.00 0.00 O ATOM 33 OP2 DC A 2 -1.996 -5.723 3.694 1.00 0.00 O ATOM 34 O5' DC A 2 -0.346 -4.010 4.471 1.00 0.00 O ATOM 35 C5' DC A 2 -0.139 -3.139 5.578 1.00 0.00 C ATOM 36 C4' DC A 2 1.162 -3.427 6.342 1.00 0.00 C ATOM 37 O4' DC A 2 2.242 -3.566 5.444 1.00 0.00 O ATOM 38 C3' DC A 2 1.590 -2.257 7.240 1.00 0.00 C ATOM 39 O3' DC A 2 1.172 -2.403 8.585 1.00 0.00 O ATOM 40 C2' DC A 2 3.117 -2.265 7.129 1.00 0.00 C ATOM 41 C1' DC A 2 3.418 -3.432 6.207 1.00 0.00 C ATOM 42 N1 DC A 2 4.636 -3.145 5.406 1.00 0.00 N ATOM 43 C2 DC A 2 5.887 -3.388 5.975 1.00 0.00 C ATOM 44 O2 DC A 2 5.987 -3.806 7.127 1.00 0.00 O ATOM 45 N3 DC A 2 7.000 -3.153 5.220 1.00 0.00 N ATOM 46 C4 DC A 2 6.903 -2.699 3.962 1.00 0.00 C ATOM 47 N4 DC A 2 8.025 -2.514 3.257 1.00 0.00 N ATOM 48 C5 DC A 2 5.626 -2.408 3.375 1.00 0.00 C ATOM 49 C6 DC A 2 4.534 -2.624 4.144 1.00 0.00 C ATOM 0 H5' DC A 2 -0.982 -3.227 6.263 1.00 0.00 H new ATOM 0 H5'' DC A 2 -0.123 -2.109 5.223 1.00 0.00 H new ATOM 0 H4' DC A 2 0.954 -4.326 6.922 1.00 0.00 H new ATOM 0 H3' DC A 2 1.133 -1.319 6.925 1.00 0.00 H new ATOM 0 H2' DC A 2 3.491 -1.327 6.719 1.00 0.00 H new ATOM 0 H2'' DC A 2 3.586 -2.397 8.104 1.00 0.00 H new ATOM 0 H1' DC A 2 3.648 -4.367 6.717 1.00 0.00 H new ATOM 0 H41 DC A 2 7.974 -2.169 2.298 1.00 0.00 H new ATOM 0 H42 DC A 2 8.931 -2.718 3.678 1.00 0.00 H new ATOM 0 H5 DC A 2 5.541 -2.034 2.366 1.00 0.00 H new ATOM 0 H6 DC A 2 3.558 -2.379 3.753 1.00 0.00 H new ATOM 61 P DG A 3 1.172 -1.141 9.599 1.00 0.00 P ATOM 62 OP1 DG A 3 0.877 -1.638 10.961 1.00 0.00 O ATOM 63 OP2 DG A 3 0.318 -0.085 9.005 1.00 0.00 O ATOM 64 O5' DG A 3 2.705 -0.623 9.576 1.00 0.00 O ATOM 65 C5' DG A 3 3.029 0.715 9.898 1.00 0.00 C ATOM 66 C4' DG A 3 4.466 1.091 9.491 1.00 0.00 C ATOM 67 O4' DG A 3 4.737 0.592 8.186 1.00 0.00 O ATOM 68 C3' DG A 3 4.533 2.623 9.425 1.00 0.00 C ATOM 69 O3' DG A 3 5.733 3.235 9.897 1.00 0.00 O ATOM 70 C2' DG A 3 4.163 2.884 7.973 1.00 0.00 C ATOM 71 C1' DG A 3 4.687 1.641 7.236 1.00 0.00 C ATOM 72 N9 DG A 3 3.864 1.253 6.062 1.00 0.00 N ATOM 73 C8 DG A 3 2.500 1.137 5.980 1.00 0.00 C ATOM 74 N7 DG A 3 2.053 0.940 4.773 1.00 0.00 N ATOM 75 C5 DG A 3 3.202 0.874 3.995 1.00 0.00 C ATOM 76 C6 DG A 3 3.345 0.738 2.579 1.00 0.00 C ATOM 77 O6 DG A 3 2.467 0.708 1.722 1.00 0.00 O ATOM 78 N1 DG A 3 4.675 0.663 2.183 1.00 0.00 N ATOM 79 C2 DG A 3 5.746 0.692 3.053 1.00 0.00 C ATOM 80 N2 DG A 3 6.951 0.502 2.510 1.00 0.00 N ATOM 81 N3 DG A 3 5.622 0.875 4.381 1.00 0.00 N ATOM 82 C4 DG A 3 4.323 0.977 4.788 1.00 0.00 C ATOM 0 H5' DG A 3 2.908 0.866 10.971 1.00 0.00 H new ATOM 0 H5'' DG A 3 2.327 1.385 9.400 1.00 0.00 H new ATOM 0 H4' DG A 3 5.181 0.678 10.203 1.00 0.00 H new ATOM 0 H3' DG A 3 3.859 3.107 10.132 1.00 0.00 H new ATOM 0 H2' DG A 3 3.086 2.999 7.848 1.00 0.00 H new ATOM 0 H2'' DG A 3 4.627 3.797 7.599 1.00 0.00 H new ATOM 0 H1' DG A 3 5.671 1.862 6.824 1.00 0.00 H new ATOM 0 H8 DG A 3 1.853 1.203 6.842 1.00 0.00 H new ATOM 0 H1 DG A 3 4.872 0.581 1.186 1.00 0.00 H new ATOM 0 H21 DG A 3 7.783 0.512 3.100 1.00 0.00 H new ATOM 0 H22 DG A 3 7.039 0.347 1.506 1.00 0.00 H new ATOM 94 P DC A 4 7.152 3.326 9.113 1.00 0.00 P ATOM 95 OP1 DC A 4 7.446 2.015 8.489 1.00 0.00 O ATOM 96 OP2 DC A 4 8.131 3.897 10.063 1.00 0.00 O ATOM 97 O5' DC A 4 6.938 4.434 7.939 1.00 0.00 O ATOM 98 C5' DC A 4 7.859 4.501 6.868 1.00 0.00 C ATOM 99 C4' DC A 4 7.822 5.734 5.957 1.00 0.00 C ATOM 100 O4' DC A 4 6.744 5.721 5.038 1.00 0.00 O ATOM 101 C3' DC A 4 7.783 7.103 6.657 1.00 0.00 C ATOM 102 O3' DC A 4 8.948 7.861 6.363 1.00 0.00 O ATOM 103 C2' DC A 4 6.601 7.784 5.965 1.00 0.00 C ATOM 104 C1' DC A 4 6.613 7.060 4.623 1.00 0.00 C ATOM 105 N1 DC A 4 5.459 7.316 3.708 1.00 0.00 N ATOM 106 C2 DC A 4 5.725 7.730 2.394 1.00 0.00 C ATOM 107 O2 DC A 4 6.868 7.983 2.014 1.00 0.00 O ATOM 108 N3 DC A 4 4.689 7.831 1.514 1.00 0.00 N ATOM 109 C4 DC A 4 3.434 7.545 1.885 1.00 0.00 C ATOM 110 N4 DC A 4 2.467 7.583 0.962 1.00 0.00 N ATOM 111 C5 DC A 4 3.123 7.204 3.243 1.00 0.00 C ATOM 112 C6 DC A 4 4.161 7.116 4.113 1.00 0.00 C ATOM 0 H5' DC A 4 7.708 3.621 6.243 1.00 0.00 H new ATOM 0 H5'' DC A 4 8.863 4.426 7.287 1.00 0.00 H new ATOM 0 H4' DC A 4 8.783 5.637 5.452 1.00 0.00 H new ATOM 0 H3' DC A 4 7.712 7.017 7.741 1.00 0.00 H new ATOM 0 H2' DC A 4 5.665 7.641 6.505 1.00 0.00 H new ATOM 0 H2'' DC A 4 6.746 8.859 5.858 1.00 0.00 H new ATOM 0 H1' DC A 4 7.410 7.414 3.970 1.00 0.00 H new ATOM 0 H41 DC A 4 1.504 7.369 1.223 1.00 0.00 H new ATOM 0 H42 DC A 4 2.692 7.826 -0.003 1.00 0.00 H new ATOM 0 H5 DC A 4 2.106 7.025 3.560 1.00 0.00 H new ATOM 0 H6 DC A 4 3.962 6.883 5.149 1.00 0.00 H new ATOM 124 P DC A 5 10.344 7.649 7.147 1.00 0.00 P ATOM 125 OP1 DC A 5 11.366 8.512 6.514 1.00 0.00 O ATOM 126 OP2 DC A 5 10.600 6.200 7.288 1.00 0.00 O ATOM 127 O5' DC A 5 9.990 8.255 8.601 1.00 0.00 O ATOM 128 C5' DC A 5 9.992 9.650 8.846 1.00 0.00 C ATOM 129 C4' DC A 5 8.751 10.067 9.640 1.00 0.00 C ATOM 130 O4' DC A 5 7.575 9.860 8.887 1.00 0.00 O ATOM 131 C3' DC A 5 8.505 9.282 10.924 1.00 0.00 C ATOM 132 O3' DC A 5 9.350 9.697 11.976 1.00 0.00 O ATOM 133 C2' DC A 5 7.046 9.639 11.190 1.00 0.00 C ATOM 134 C1' DC A 5 6.479 9.906 9.784 1.00 0.00 C ATOM 135 N1 DC A 5 5.456 8.919 9.332 1.00 0.00 N ATOM 136 C2 DC A 5 4.338 9.383 8.629 1.00 0.00 C ATOM 137 O2 DC A 5 4.173 10.581 8.407 1.00 0.00 O ATOM 138 N3 DC A 5 3.425 8.473 8.179 1.00 0.00 N ATOM 139 C4 DC A 5 3.588 7.162 8.397 1.00 0.00 C ATOM 140 N4 DC A 5 2.683 6.312 7.903 1.00 0.00 N ATOM 141 C5 DC A 5 4.715 6.664 9.131 1.00 0.00 C ATOM 142 C6 DC A 5 5.618 7.573 9.565 1.00 0.00 C ATOM 0 H5' DC A 5 10.021 10.189 7.899 1.00 0.00 H new ATOM 0 H5'' DC A 5 10.891 9.925 9.398 1.00 0.00 H new ATOM 0 H4' DC A 5 8.957 11.111 9.875 1.00 0.00 H new ATOM 0 H3' DC A 5 8.706 8.214 10.845 1.00 0.00 H new ATOM 0 H2' DC A 5 6.518 8.826 11.688 1.00 0.00 H new ATOM 0 H2'' DC A 5 6.958 10.516 11.831 1.00 0.00 H new ATOM 0 HO3' DC A 5 9.157 9.169 12.779 1.00 0.00 H new ATOM 0 H1' DC A 5 5.972 10.871 9.809 1.00 0.00 H new ATOM 0 H41 DC A 5 2.788 5.309 8.057 1.00 0.00 H new ATOM 0 H42 DC A 5 1.888 6.666 7.372 1.00 0.00 H new ATOM 0 H5 DC A 5 4.837 5.609 9.329 1.00 0.00 H new ATOM 0 H6 DC A 5 6.488 7.233 10.108 1.00 0.00 H new TER 155 DC A 5 ATOM 156 N GLY B 14 18.738 7.493 -11.691 1.00 0.00 N ATOM 157 CA GLY B 14 17.363 6.994 -11.517 1.00 0.00 C ATOM 158 C GLY B 14 17.157 6.352 -10.147 1.00 0.00 C ATOM 159 O GLY B 14 18.025 6.459 -9.282 1.00 0.00 O ATOM 0 HA2 GLY B 14 16.660 7.818 -11.641 1.00 0.00 H new ATOM 0 HA3 GLY B 14 17.140 6.265 -12.296 1.00 0.00 H new ATOM 165 N GLU B 15 16.010 5.684 -9.970 1.00 0.00 N ATOM 166 CA GLU B 15 15.638 4.946 -8.769 1.00 0.00 C ATOM 167 C GLU B 15 15.540 5.880 -7.554 1.00 0.00 C ATOM 168 O GLU B 15 14.517 6.544 -7.387 1.00 0.00 O ATOM 169 CB GLU B 15 16.565 3.729 -8.590 1.00 0.00 C ATOM 170 CG GLU B 15 16.112 2.812 -7.449 1.00 0.00 C ATOM 171 CD GLU B 15 16.929 1.524 -7.415 1.00 0.00 C ATOM 172 OE1 GLU B 15 18.139 1.630 -7.123 1.00 0.00 O ATOM 173 OE2 GLU B 15 16.330 0.459 -7.684 1.00 0.00 O ATOM 0 H GLU B 15 15.291 5.645 -10.692 1.00 0.00 H new ATOM 0 HA GLU B 15 14.634 4.535 -8.875 1.00 0.00 H new ATOM 0 HB2 GLU B 15 16.596 3.160 -9.519 1.00 0.00 H new ATOM 0 HB3 GLU B 15 17.580 4.075 -8.394 1.00 0.00 H new ATOM 0 HG2 GLU B 15 16.213 3.334 -6.498 1.00 0.00 H new ATOM 0 HG3 GLU B 15 15.056 2.572 -7.570 1.00 0.00 H new ATOM 180 N ARG B 16 16.593 5.933 -6.726 1.00 0.00 N ATOM 181 CA ARG B 16 16.701 6.715 -5.500 1.00 0.00 C ATOM 182 C ARG B 16 15.633 6.313 -4.475 1.00 0.00 C ATOM 183 O ARG B 16 15.925 5.547 -3.560 1.00 0.00 O ATOM 184 CB ARG B 16 16.735 8.222 -5.812 1.00 0.00 C ATOM 185 CG ARG B 16 17.093 9.039 -4.563 1.00 0.00 C ATOM 186 CD ARG B 16 17.228 10.525 -4.907 1.00 0.00 C ATOM 187 NE ARG B 16 17.613 11.309 -3.724 1.00 0.00 N ATOM 188 CZ ARG B 16 17.804 12.639 -3.714 1.00 0.00 C ATOM 189 NH1 ARG B 16 17.646 13.362 -4.832 1.00 0.00 N ATOM 190 NH2 ARG B 16 18.155 13.248 -2.574 1.00 0.00 N ATOM 0 H ARG B 16 17.440 5.396 -6.912 1.00 0.00 H new ATOM 0 HA ARG B 16 17.653 6.485 -5.022 1.00 0.00 H new ATOM 0 HB2 ARG B 16 17.464 8.417 -6.599 1.00 0.00 H new ATOM 0 HB3 ARG B 16 15.764 8.540 -6.192 1.00 0.00 H new ATOM 0 HG2 ARG B 16 16.324 8.905 -3.802 1.00 0.00 H new ATOM 0 HG3 ARG B 16 18.028 8.673 -4.139 1.00 0.00 H new ATOM 0 HD2 ARG B 16 17.974 10.654 -5.691 1.00 0.00 H new ATOM 0 HD3 ARG B 16 16.283 10.897 -5.302 1.00 0.00 H new ATOM 0 HE ARG B 16 17.745 10.806 -2.846 1.00 0.00 H new ATOM 0 HH11 ARG B 16 17.378 12.903 -5.703 1.00 0.00 H new ATOM 0 HH12 ARG B 16 17.794 14.371 -4.812 1.00 0.00 H new ATOM 0 HH21 ARG B 16 18.276 12.703 -1.721 1.00 0.00 H new ATOM 0 HH22 ARG B 16 18.302 14.257 -2.559 1.00 0.00 H new ATOM 204 N ARG B 17 14.407 6.831 -4.624 1.00 0.00 N ATOM 205 CA ARG B 17 13.268 6.501 -3.778 1.00 0.00 C ATOM 206 C ARG B 17 12.525 5.295 -4.356 1.00 0.00 C ATOM 207 O ARG B 17 12.152 4.394 -3.609 1.00 0.00 O ATOM 208 CB ARG B 17 12.339 7.721 -3.667 1.00 0.00 C ATOM 209 CG ARG B 17 11.221 7.501 -2.636 1.00 0.00 C ATOM 210 CD ARG B 17 10.242 8.681 -2.638 1.00 0.00 C ATOM 211 NE ARG B 17 9.186 8.515 -1.626 1.00 0.00 N ATOM 212 CZ ARG B 17 8.064 9.254 -1.561 1.00 0.00 C ATOM 213 NH1 ARG B 17 7.840 10.239 -2.442 1.00 0.00 N ATOM 214 NH2 ARG B 17 7.157 9.013 -0.605 1.00 0.00 N ATOM 0 H ARG B 17 14.181 7.506 -5.355 1.00 0.00 H new ATOM 0 HA ARG B 17 13.615 6.240 -2.778 1.00 0.00 H new ATOM 0 HB2 ARG B 17 12.923 8.597 -3.387 1.00 0.00 H new ATOM 0 HB3 ARG B 17 11.898 7.930 -4.641 1.00 0.00 H new ATOM 0 HG2 ARG B 17 10.687 6.578 -2.863 1.00 0.00 H new ATOM 0 HG3 ARG B 17 11.654 7.383 -1.643 1.00 0.00 H new ATOM 0 HD2 ARG B 17 10.787 9.606 -2.447 1.00 0.00 H new ATOM 0 HD3 ARG B 17 9.789 8.776 -3.625 1.00 0.00 H new ATOM 0 HE ARG B 17 9.314 7.787 -0.923 1.00 0.00 H new ATOM 0 HH11 ARG B 17 8.524 10.435 -3.172 1.00 0.00 H new ATOM 0 HH12 ARG B 17 6.985 10.792 -2.382 1.00 0.00 H new ATOM 0 HH21 ARG B 17 7.317 8.269 0.074 1.00 0.00 H new ATOM 0 HH22 ARG B 17 6.306 9.574 -0.556 1.00 0.00 H new ATOM 228 N ARG B 18 12.281 5.302 -5.674 1.00 0.00 N ATOM 229 CA ARG B 18 11.406 4.345 -6.335 1.00 0.00 C ATOM 230 C ARG B 18 12.195 3.167 -6.907 1.00 0.00 C ATOM 231 O ARG B 18 12.562 3.181 -8.081 1.00 0.00 O ATOM 232 CB ARG B 18 10.588 5.063 -7.419 1.00 0.00 C ATOM 233 CG ARG B 18 9.509 4.127 -7.985 1.00 0.00 C ATOM 234 CD ARG B 18 8.679 4.787 -9.095 1.00 0.00 C ATOM 235 NE ARG B 18 8.078 6.059 -8.672 1.00 0.00 N ATOM 236 CZ ARG B 18 7.133 6.196 -7.729 1.00 0.00 C ATOM 237 NH1 ARG B 18 6.570 5.127 -7.154 1.00 0.00 N ATOM 238 NH2 ARG B 18 6.754 7.421 -7.343 1.00 0.00 N ATOM 0 H ARG B 18 12.694 5.983 -6.311 1.00 0.00 H new ATOM 0 HA ARG B 18 10.718 3.928 -5.599 1.00 0.00 H new ATOM 0 HB2 ARG B 18 10.121 5.955 -7.000 1.00 0.00 H new ATOM 0 HB3 ARG B 18 11.247 5.395 -8.221 1.00 0.00 H new ATOM 0 HG2 ARG B 18 9.983 3.227 -8.377 1.00 0.00 H new ATOM 0 HG3 ARG B 18 8.846 3.813 -7.179 1.00 0.00 H new ATOM 0 HD2 ARG B 18 9.314 4.961 -9.964 1.00 0.00 H new ATOM 0 HD3 ARG B 18 7.890 4.103 -9.409 1.00 0.00 H new ATOM 0 HE ARG B 18 8.406 6.908 -9.133 1.00 0.00 H new ATOM 0 HH11 ARG B 18 6.858 4.188 -7.431 1.00 0.00 H new ATOM 0 HH12 ARG B 18 5.853 5.251 -6.439 1.00 0.00 H new ATOM 0 HH21 ARG B 18 7.183 8.244 -7.765 1.00 0.00 H new ATOM 0 HH22 ARG B 18 6.036 7.531 -6.627 1.00 0.00 H new ATOM 252 N SER B 19 12.419 2.139 -6.082 1.00 0.00 N ATOM 253 CA SER B 19 12.943 0.852 -6.511 1.00 0.00 C ATOM 254 C SER B 19 11.727 -0.058 -6.720 1.00 0.00 C ATOM 255 O SER B 19 11.102 0.008 -7.778 1.00 0.00 O ATOM 256 CB SER B 19 13.967 0.345 -5.485 1.00 0.00 C ATOM 257 OG SER B 19 14.569 -0.846 -5.944 1.00 0.00 O ATOM 0 H SER B 19 12.236 2.186 -5.080 1.00 0.00 H new ATOM 0 HA SER B 19 13.495 0.896 -7.450 1.00 0.00 H new ATOM 0 HB2 SER B 19 14.730 1.105 -5.316 1.00 0.00 H new ATOM 0 HB3 SER B 19 13.476 0.168 -4.528 1.00 0.00 H new ATOM 0 HG SER B 19 15.260 -0.630 -6.605 1.00 0.00 H new ATOM 263 N GLN B 20 11.369 -0.872 -5.720 1.00 0.00 N ATOM 264 CA GLN B 20 10.124 -1.628 -5.666 1.00 0.00 C ATOM 265 C GLN B 20 9.709 -1.729 -4.202 1.00 0.00 C ATOM 266 O GLN B 20 10.554 -1.632 -3.311 1.00 0.00 O ATOM 267 CB GLN B 20 10.264 -3.040 -6.247 1.00 0.00 C ATOM 268 CG GLN B 20 10.749 -3.055 -7.700 1.00 0.00 C ATOM 269 CD GLN B 20 10.783 -4.462 -8.295 1.00 0.00 C ATOM 270 OE1 GLN B 20 10.380 -5.433 -7.658 1.00 0.00 O ATOM 271 NE2 GLN B 20 11.269 -4.576 -9.532 1.00 0.00 N ATOM 0 H GLN B 20 11.960 -1.024 -4.903 1.00 0.00 H new ATOM 0 HA GLN B 20 9.378 -1.109 -6.268 1.00 0.00 H new ATOM 0 HB2 GLN B 20 10.961 -3.610 -5.633 1.00 0.00 H new ATOM 0 HB3 GLN B 20 9.300 -3.546 -6.188 1.00 0.00 H new ATOM 0 HG2 GLN B 20 10.095 -2.425 -8.304 1.00 0.00 H new ATOM 0 HG3 GLN B 20 11.747 -2.619 -7.750 1.00 0.00 H new ATOM 0 HE21 GLN B 20 11.594 -3.748 -10.030 1.00 0.00 H new ATOM 0 HE22 GLN B 20 11.315 -5.491 -9.979 1.00 0.00 H new ATOM 280 N LEU B 21 8.409 -1.944 -3.972 1.00 0.00 N ATOM 281 CA LEU B 21 7.775 -2.033 -2.667 1.00 0.00 C ATOM 282 C LEU B 21 8.344 -1.008 -1.677 1.00 0.00 C ATOM 283 O LEU B 21 8.764 -1.342 -0.569 1.00 0.00 O ATOM 284 CB LEU B 21 7.830 -3.499 -2.201 1.00 0.00 C ATOM 285 CG LEU B 21 6.516 -3.891 -1.522 1.00 0.00 C ATOM 286 CD1 LEU B 21 6.366 -5.414 -1.423 1.00 0.00 C ATOM 287 CD2 LEU B 21 6.408 -3.255 -0.135 1.00 0.00 C ATOM 0 H LEU B 21 7.743 -2.066 -4.735 1.00 0.00 H new ATOM 0 HA LEU B 21 6.723 -1.754 -2.730 1.00 0.00 H new ATOM 0 HB2 LEU B 21 8.015 -4.152 -3.054 1.00 0.00 H new ATOM 0 HB3 LEU B 21 8.660 -3.636 -1.508 1.00 0.00 H new ATOM 0 HG LEU B 21 5.704 -3.513 -2.143 1.00 0.00 H new ATOM 0 HD11 LEU B 21 5.422 -5.656 -0.935 1.00 0.00 H new ATOM 0 HD12 LEU B 21 6.379 -5.847 -2.423 1.00 0.00 H new ATOM 0 HD13 LEU B 21 7.191 -5.824 -0.840 1.00 0.00 H new ATOM 0 HD21 LEU B 21 5.466 -3.548 0.327 1.00 0.00 H new ATOM 0 HD22 LEU B 21 7.238 -3.593 0.486 1.00 0.00 H new ATOM 0 HD23 LEU B 21 6.444 -2.170 -0.229 1.00 0.00 H new ATOM 299 N ASP B 22 8.371 0.254 -2.117 1.00 0.00 N ATOM 300 CA ASP B 22 9.057 1.342 -1.442 1.00 0.00 C ATOM 301 C ASP B 22 8.160 1.995 -0.394 1.00 0.00 C ATOM 302 O ASP B 22 7.011 1.599 -0.198 1.00 0.00 O ATOM 303 CB ASP B 22 9.483 2.384 -2.487 1.00 0.00 C ATOM 304 CG ASP B 22 10.199 1.747 -3.672 1.00 0.00 C ATOM 305 OD1 ASP B 22 11.402 1.449 -3.520 1.00 0.00 O ATOM 306 OD2 ASP B 22 9.524 1.565 -4.709 1.00 0.00 O ATOM 0 H ASP B 22 7.902 0.547 -2.974 1.00 0.00 H new ATOM 0 HA ASP B 22 9.932 0.943 -0.929 1.00 0.00 H new ATOM 0 HB2 ASP B 22 8.604 2.922 -2.842 1.00 0.00 H new ATOM 0 HB3 ASP B 22 10.139 3.118 -2.020 1.00 0.00 H new ATOM 311 N ARG B 23 8.696 3.032 0.255 1.00 0.00 N ATOM 312 CA ARG B 23 7.930 3.918 1.118 1.00 0.00 C ATOM 313 C ARG B 23 7.024 4.814 0.282 1.00 0.00 C ATOM 314 O ARG B 23 6.017 5.302 0.773 1.00 0.00 O ATOM 315 CB ARG B 23 8.864 4.788 1.958 1.00 0.00 C ATOM 316 CG ARG B 23 9.842 3.956 2.784 1.00 0.00 C ATOM 317 CD ARG B 23 9.115 2.941 3.674 1.00 0.00 C ATOM 318 NE ARG B 23 9.940 2.497 4.805 1.00 0.00 N ATOM 319 CZ ARG B 23 9.493 1.754 5.834 1.00 0.00 C ATOM 320 NH1 ARG B 23 8.279 1.183 5.807 1.00 0.00 N ATOM 321 NH2 ARG B 23 10.257 1.607 6.924 1.00 0.00 N ATOM 0 H ARG B 23 9.684 3.278 0.192 1.00 0.00 H new ATOM 0 HA ARG B 23 7.321 3.304 1.781 1.00 0.00 H new ATOM 0 HB2 ARG B 23 9.422 5.456 1.302 1.00 0.00 H new ATOM 0 HB3 ARG B 23 8.272 5.416 2.624 1.00 0.00 H new ATOM 0 HG2 ARG B 23 10.526 3.431 2.117 1.00 0.00 H new ATOM 0 HG3 ARG B 23 10.447 4.617 3.405 1.00 0.00 H new ATOM 0 HD2 ARG B 23 8.195 3.386 4.052 1.00 0.00 H new ATOM 0 HD3 ARG B 23 8.828 2.076 3.075 1.00 0.00 H new ATOM 0 HE ARG B 23 10.922 2.772 4.811 1.00 0.00 H new ATOM 0 HH11 ARG B 23 7.675 1.308 4.995 1.00 0.00 H new ATOM 0 HH12 ARG B 23 7.961 0.624 6.598 1.00 0.00 H new ATOM 0 HH21 ARG B 23 11.171 2.057 6.970 1.00 0.00 H new ATOM 0 HH22 ARG B 23 9.925 1.045 7.708 1.00 0.00 H new ATOM 335 N ASP B 24 7.385 5.030 -0.982 1.00 0.00 N ATOM 336 CA ASP B 24 6.527 5.677 -1.962 1.00 0.00 C ATOM 337 C ASP B 24 5.296 4.819 -2.277 1.00 0.00 C ATOM 338 O ASP B 24 4.161 5.277 -2.159 1.00 0.00 O ATOM 339 CB ASP B 24 7.332 5.918 -3.245 1.00 0.00 C ATOM 340 CG ASP B 24 6.596 6.838 -4.211 1.00 0.00 C ATOM 341 OD1 ASP B 24 5.638 6.352 -4.852 1.00 0.00 O ATOM 342 OD2 ASP B 24 7.016 8.010 -4.319 1.00 0.00 O ATOM 0 H ASP B 24 8.294 4.756 -1.355 1.00 0.00 H new ATOM 0 HA ASP B 24 6.178 6.624 -1.550 1.00 0.00 H new ATOM 0 HB2 ASP B 24 8.298 6.355 -2.991 1.00 0.00 H new ATOM 0 HB3 ASP B 24 7.532 4.964 -3.733 1.00 0.00 H new ATOM 347 N GLN B 25 5.550 3.578 -2.704 1.00 0.00 N ATOM 348 CA GLN B 25 4.567 2.674 -3.287 1.00 0.00 C ATOM 349 C GLN B 25 3.716 1.921 -2.261 1.00 0.00 C ATOM 350 O GLN B 25 4.176 1.626 -1.159 1.00 0.00 O ATOM 351 CB GLN B 25 5.299 1.664 -4.179 1.00 0.00 C ATOM 352 CG GLN B 25 6.159 2.361 -5.238 1.00 0.00 C ATOM 353 CD GLN B 25 6.676 1.434 -6.341 1.00 0.00 C ATOM 354 OE1 GLN B 25 7.070 1.917 -7.400 1.00 0.00 O ATOM 355 NE2 GLN B 25 6.653 0.114 -6.128 1.00 0.00 N ATOM 0 H GLN B 25 6.481 3.165 -2.649 1.00 0.00 H new ATOM 0 HA GLN B 25 3.872 3.292 -3.856 1.00 0.00 H new ATOM 0 HB2 GLN B 25 5.930 1.024 -3.562 1.00 0.00 H new ATOM 0 HB3 GLN B 25 4.571 1.017 -4.669 1.00 0.00 H new ATOM 0 HG2 GLN B 25 5.575 3.160 -5.695 1.00 0.00 H new ATOM 0 HG3 GLN B 25 7.011 2.831 -4.746 1.00 0.00 H new ATOM 0 HE21 GLN B 25 6.320 -0.253 -5.237 1.00 0.00 H new ATOM 0 HE22 GLN B 25 6.969 -0.526 -6.857 1.00 0.00 H new ATOM 364 N CYS B 26 2.485 1.565 -2.666 1.00 0.00 N ATOM 365 CA CYS B 26 1.625 0.660 -1.907 1.00 0.00 C ATOM 366 C CYS B 26 2.306 -0.689 -1.790 1.00 0.00 C ATOM 367 O CYS B 26 2.831 -1.214 -2.763 1.00 0.00 O ATOM 368 CB CYS B 26 0.239 0.471 -2.545 1.00 0.00 C ATOM 369 SG CYS B 26 -0.837 -0.702 -1.646 1.00 0.00 S ATOM 0 H CYS B 26 2.063 1.901 -3.532 1.00 0.00 H new ATOM 0 HA CYS B 26 1.469 1.110 -0.927 1.00 0.00 H new ATOM 0 HB2 CYS B 26 -0.260 1.438 -2.599 1.00 0.00 H new ATOM 0 HB3 CYS B 26 0.366 0.120 -3.569 1.00 0.00 H new ATOM 374 N ALA B 27 2.292 -1.257 -0.592 1.00 0.00 N ATOM 375 CA ALA B 27 2.925 -2.530 -0.324 1.00 0.00 C ATOM 376 C ALA B 27 2.307 -3.680 -1.129 1.00 0.00 C ATOM 377 O ALA B 27 2.994 -4.624 -1.513 1.00 0.00 O ATOM 378 CB ALA B 27 2.807 -2.775 1.174 1.00 0.00 C ATOM 0 H ALA B 27 1.838 -0.842 0.221 1.00 0.00 H new ATOM 0 HA ALA B 27 3.969 -2.495 -0.635 1.00 0.00 H new ATOM 0 HB1 ALA B 27 3.273 -3.728 1.425 1.00 0.00 H new ATOM 0 HB2 ALA B 27 3.309 -1.973 1.715 1.00 0.00 H new ATOM 0 HB3 ALA B 27 1.755 -2.800 1.457 1.00 0.00 H new ATOM 384 N TYR B 28 0.998 -3.584 -1.364 1.00 0.00 N ATOM 385 CA TYR B 28 0.136 -4.601 -1.938 1.00 0.00 C ATOM 386 C TYR B 28 0.141 -4.531 -3.463 1.00 0.00 C ATOM 387 O TYR B 28 0.389 -5.523 -4.145 1.00 0.00 O ATOM 388 CB TYR B 28 -1.276 -4.325 -1.403 1.00 0.00 C ATOM 389 CG TYR B 28 -2.238 -5.497 -1.427 1.00 0.00 C ATOM 390 CD1 TYR B 28 -3.027 -5.738 -2.567 1.00 0.00 C ATOM 391 CD2 TYR B 28 -2.375 -6.327 -0.300 1.00 0.00 C ATOM 392 CE1 TYR B 28 -3.999 -6.752 -2.555 1.00 0.00 C ATOM 393 CE2 TYR B 28 -3.336 -7.353 -0.292 1.00 0.00 C ATOM 394 CZ TYR B 28 -4.157 -7.558 -1.414 1.00 0.00 C ATOM 395 OH TYR B 28 -5.109 -8.535 -1.399 1.00 0.00 O ATOM 0 H TYR B 28 0.483 -2.732 -1.141 1.00 0.00 H new ATOM 0 HA TYR B 28 0.483 -5.597 -1.664 1.00 0.00 H new ATOM 0 HB2 TYR B 28 -1.191 -3.972 -0.375 1.00 0.00 H new ATOM 0 HB3 TYR B 28 -1.711 -3.512 -1.985 1.00 0.00 H new ATOM 0 HD1 TYR B 28 -2.885 -5.141 -3.455 1.00 0.00 H new ATOM 0 HD2 TYR B 28 -1.741 -6.176 0.561 1.00 0.00 H new ATOM 0 HE1 TYR B 28 -4.624 -6.912 -3.421 1.00 0.00 H new ATOM 0 HE2 TYR B 28 -3.443 -7.984 0.578 1.00 0.00 H new ATOM 0 HH TYR B 28 -5.086 -9.001 -0.537 1.00 0.00 H new ATOM 405 N CYS B 29 -0.154 -3.333 -3.971 1.00 0.00 N ATOM 406 CA CYS B 29 -0.435 -3.032 -5.367 1.00 0.00 C ATOM 407 C CYS B 29 0.747 -2.343 -6.016 1.00 0.00 C ATOM 408 O CYS B 29 1.009 -2.541 -7.200 1.00 0.00 O ATOM 409 CB CYS B 29 -1.642 -2.085 -5.457 1.00 0.00 C ATOM 410 SG CYS B 29 -2.975 -2.477 -4.341 1.00 0.00 S ATOM 0 H CYS B 29 -0.205 -2.502 -3.381 1.00 0.00 H new ATOM 0 HA CYS B 29 -0.640 -3.972 -5.880 1.00 0.00 H new ATOM 0 HB2 CYS B 29 -1.305 -1.068 -5.257 1.00 0.00 H new ATOM 0 HB3 CYS B 29 -2.024 -2.100 -6.478 1.00 0.00 H new ATOM 415 N LYS B 30 1.423 -1.500 -5.230 1.00 0.00 N ATOM 416 CA LYS B 30 2.430 -0.582 -5.726 1.00 0.00 C ATOM 417 C LYS B 30 1.823 0.306 -6.824 1.00 0.00 C ATOM 418 O LYS B 30 2.403 0.468 -7.897 1.00 0.00 O ATOM 419 CB LYS B 30 3.719 -1.304 -6.171 1.00 0.00 C ATOM 420 CG LYS B 30 4.470 -2.138 -5.119 1.00 0.00 C ATOM 421 CD LYS B 30 3.808 -3.456 -4.674 1.00 0.00 C ATOM 422 CE LYS B 30 3.652 -4.478 -5.804 1.00 0.00 C ATOM 423 NZ LYS B 30 3.052 -5.729 -5.307 1.00 0.00 N ATOM 0 H LYS B 30 1.279 -1.442 -4.222 1.00 0.00 H new ATOM 0 HA LYS B 30 2.744 0.066 -4.908 1.00 0.00 H new ATOM 0 HB2 LYS B 30 3.465 -1.962 -7.002 1.00 0.00 H new ATOM 0 HB3 LYS B 30 4.408 -0.553 -6.558 1.00 0.00 H new ATOM 0 HG2 LYS B 30 5.459 -2.371 -5.513 1.00 0.00 H new ATOM 0 HG3 LYS B 30 4.617 -1.517 -4.235 1.00 0.00 H new ATOM 0 HD2 LYS B 30 4.402 -3.899 -3.875 1.00 0.00 H new ATOM 0 HD3 LYS B 30 2.825 -3.236 -4.257 1.00 0.00 H new ATOM 0 HE2 LYS B 30 3.028 -4.060 -6.593 1.00 0.00 H new ATOM 0 HE3 LYS B 30 4.626 -4.688 -6.246 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 2.957 -6.404 -6.092 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 3.662 -6.138 -4.570 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 2.113 -5.529 -4.907 1.00 0.00 H new ATOM 437 N GLU B 31 0.636 0.865 -6.547 1.00 0.00 N ATOM 438 CA GLU B 31 -0.146 1.657 -7.490 1.00 0.00 C ATOM 439 C GLU B 31 0.366 3.104 -7.523 1.00 0.00 C ATOM 440 O GLU B 31 1.193 3.494 -6.700 1.00 0.00 O ATOM 441 CB GLU B 31 -1.633 1.581 -7.089 1.00 0.00 C ATOM 442 CG GLU B 31 -2.621 1.866 -8.233 1.00 0.00 C ATOM 443 CD GLU B 31 -4.068 1.706 -7.779 1.00 0.00 C ATOM 444 OE1 GLU B 31 -4.578 0.569 -7.865 1.00 0.00 O ATOM 445 OE2 GLU B 31 -4.635 2.729 -7.332 1.00 0.00 O ATOM 0 H GLU B 31 0.187 0.773 -5.636 1.00 0.00 H new ATOM 0 HA GLU B 31 -0.038 1.258 -8.499 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -1.837 0.588 -6.689 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -1.815 2.293 -6.284 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -2.466 2.879 -8.605 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -2.423 1.188 -9.063 1.00 0.00 H new ATOM 452 N LYS B 32 -0.165 3.873 -8.484 1.00 0.00 N ATOM 453 CA LYS B 32 -0.009 5.298 -8.755 1.00 0.00 C ATOM 454 C LYS B 32 0.645 6.111 -7.639 1.00 0.00 C ATOM 455 O LYS B 32 1.692 6.724 -7.840 1.00 0.00 O ATOM 456 CB LYS B 32 -1.389 5.856 -9.149 1.00 0.00 C ATOM 457 CG LYS B 32 -2.461 5.902 -8.048 1.00 0.00 C ATOM 458 CD LYS B 32 -3.862 6.062 -8.650 1.00 0.00 C ATOM 459 CE LYS B 32 -4.917 6.369 -7.579 1.00 0.00 C ATOM 460 NZ LYS B 32 -4.959 5.345 -6.519 1.00 0.00 N ATOM 0 H LYS B 32 -0.790 3.452 -9.171 1.00 0.00 H new ATOM 0 HA LYS B 32 0.704 5.400 -9.573 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -1.250 6.868 -9.529 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -1.775 5.256 -9.973 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -2.418 4.988 -7.456 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -2.256 6.731 -7.370 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -3.850 6.865 -9.387 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -4.136 5.148 -9.178 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -4.705 7.341 -7.133 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -5.898 6.441 -8.049 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -5.801 5.493 -5.927 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -5.001 4.400 -6.951 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -4.105 5.419 -5.931 1.00 0.00 H new ATOM 474 N GLY B 33 -0.004 6.128 -6.476 1.00 0.00 N ATOM 475 CA GLY B 33 0.396 6.947 -5.347 1.00 0.00 C ATOM 476 C GLY B 33 -0.379 6.669 -4.057 1.00 0.00 C ATOM 477 O GLY B 33 -0.070 7.307 -3.052 1.00 0.00 O ATOM 0 H GLY B 33 -0.834 5.563 -6.295 1.00 0.00 H new ATOM 0 HA2 GLY B 33 1.458 6.791 -5.159 1.00 0.00 H new ATOM 0 HA3 GLY B 33 0.270 7.997 -5.613 1.00 0.00 H new ATOM 481 N HIS B 34 -1.352 5.738 -4.039 1.00 0.00 N ATOM 482 CA HIS B 34 -1.934 5.317 -2.766 1.00 0.00 C ATOM 483 C HIS B 34 -0.939 4.388 -2.060 1.00 0.00 C ATOM 484 O HIS B 34 0.046 3.963 -2.665 1.00 0.00 O ATOM 485 CB HIS B 34 -3.348 4.721 -2.927 1.00 0.00 C ATOM 486 CG HIS B 34 -3.431 3.269 -3.345 1.00 0.00 C ATOM 487 ND1 HIS B 34 -4.049 2.779 -4.477 1.00 0.00 N ATOM 488 CD2 HIS B 34 -2.998 2.138 -2.718 1.00 0.00 C ATOM 489 CE1 HIS B 34 -3.919 1.439 -4.434 1.00 0.00 C ATOM 490 NE2 HIS B 34 -3.303 0.943 -3.353 1.00 0.00 N ATOM 0 H HIS B 34 -1.736 5.280 -4.866 1.00 0.00 H new ATOM 0 HA HIS B 34 -2.095 6.187 -2.130 1.00 0.00 H new ATOM 0 HB2 HIS B 34 -3.874 4.833 -1.979 1.00 0.00 H new ATOM 0 HB3 HIS B 34 -3.887 5.318 -3.663 1.00 0.00 H new ATOM 0 HD1 HIS B 34 -4.513 3.324 -5.204 1.00 0.00 H new ATOM 0 HD2 HIS B 34 -2.452 2.171 -1.786 1.00 0.00 H new ATOM 0 HE1 HIS B 34 -4.289 0.803 -5.224 1.00 0.00 H new ATOM 498 N TRP B 35 -1.191 4.082 -0.783 1.00 0.00 N ATOM 499 CA TRP B 35 -0.311 3.274 0.051 1.00 0.00 C ATOM 500 C TRP B 35 -1.054 2.093 0.667 1.00 0.00 C ATOM 501 O TRP B 35 -2.279 2.063 0.615 1.00 0.00 O ATOM 502 CB TRP B 35 0.277 4.170 1.141 1.00 0.00 C ATOM 503 CG TRP B 35 1.732 3.997 1.399 1.00 0.00 C ATOM 504 CD1 TRP B 35 2.696 3.823 0.469 1.00 0.00 C ATOM 505 CD2 TRP B 35 2.411 4.021 2.676 1.00 0.00 C ATOM 506 NE1 TRP B 35 3.918 3.696 1.086 1.00 0.00 N ATOM 507 CE2 TRP B 35 3.805 3.863 2.447 1.00 0.00 C ATOM 508 CE3 TRP B 35 1.989 4.209 4.003 1.00 0.00 C ATOM 509 CZ2 TRP B 35 4.739 3.891 3.486 1.00 0.00 C ATOM 510 CZ3 TRP B 35 2.914 4.225 5.055 1.00 0.00 C ATOM 511 CH2 TRP B 35 4.286 4.066 4.797 1.00 0.00 C ATOM 0 H TRP B 35 -2.030 4.398 -0.296 1.00 0.00 H new ATOM 0 HA TRP B 35 0.488 2.860 -0.565 1.00 0.00 H new ATOM 0 HB2 TRP B 35 0.096 5.210 0.869 1.00 0.00 H new ATOM 0 HB3 TRP B 35 -0.263 3.985 2.069 1.00 0.00 H new ATOM 0 HD1 TRP B 35 2.532 3.789 -0.598 1.00 0.00 H new ATOM 0 HE1 TRP B 35 4.793 3.503 0.599 1.00 0.00 H new ATOM 0 HE3 TRP B 35 0.938 4.343 4.215 1.00 0.00 H new ATOM 0 HZ2 TRP B 35 5.793 3.779 3.280 1.00 0.00 H new ATOM 0 HZ3 TRP B 35 2.571 4.360 6.070 1.00 0.00 H new ATOM 0 HH2 TRP B 35 4.993 4.079 5.614 1.00 0.00 H new ATOM 522 N ALA B 36 -0.339 1.147 1.296 1.00 0.00 N ATOM 523 CA ALA B 36 -0.983 0.032 1.993 1.00 0.00 C ATOM 524 C ALA B 36 -1.960 0.539 3.064 1.00 0.00 C ATOM 525 O ALA B 36 -2.966 -0.115 3.331 1.00 0.00 O ATOM 526 CB ALA B 36 0.035 -0.975 2.543 1.00 0.00 C ATOM 0 H ALA B 36 0.680 1.135 1.334 1.00 0.00 H new ATOM 0 HA ALA B 36 -1.574 -0.518 1.260 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -0.491 -1.783 3.051 1.00 0.00 H new ATOM 0 HB2 ALA B 36 0.622 -1.385 1.721 1.00 0.00 H new ATOM 0 HB3 ALA B 36 0.698 -0.474 3.248 1.00 0.00 H new ATOM 532 N LYS B 37 -1.708 1.731 3.628 1.00 0.00 N ATOM 533 CA LYS B 37 -2.629 2.401 4.531 1.00 0.00 C ATOM 534 C LYS B 37 -3.905 2.873 3.833 1.00 0.00 C ATOM 535 O LYS B 37 -4.996 2.741 4.385 1.00 0.00 O ATOM 536 CB LYS B 37 -1.934 3.579 5.215 1.00 0.00 C ATOM 537 CG LYS B 37 -0.899 3.032 6.197 1.00 0.00 C ATOM 538 CD LYS B 37 -0.529 4.053 7.279 1.00 0.00 C ATOM 539 CE LYS B 37 0.054 3.310 8.486 1.00 0.00 C ATOM 540 NZ LYS B 37 0.508 4.231 9.542 1.00 0.00 N ATOM 0 H LYS B 37 -0.848 2.254 3.462 1.00 0.00 H new ATOM 0 HA LYS B 37 -2.930 1.668 5.279 1.00 0.00 H new ATOM 0 HB2 LYS B 37 -1.452 4.216 4.473 1.00 0.00 H new ATOM 0 HB3 LYS B 37 -2.664 4.196 5.739 1.00 0.00 H new ATOM 0 HG2 LYS B 37 -1.290 2.131 6.669 1.00 0.00 H new ATOM 0 HG3 LYS B 37 -0.001 2.742 5.651 1.00 0.00 H new ATOM 0 HD2 LYS B 37 0.196 4.768 6.890 1.00 0.00 H new ATOM 0 HD3 LYS B 37 -1.410 4.622 7.577 1.00 0.00 H new ATOM 0 HE2 LYS B 37 -0.699 2.636 8.894 1.00 0.00 H new ATOM 0 HE3 LYS B 37 0.891 2.693 8.160 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 0.476 3.747 10.462 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 1.483 4.533 9.343 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 -0.114 5.064 9.567 1.00 0.00 H new ATOM 554 N ASP B 38 -3.757 3.440 2.632 1.00 0.00 N ATOM 555 CA ASP B 38 -4.843 4.017 1.845 1.00 0.00 C ATOM 556 C ASP B 38 -5.292 3.039 0.759 1.00 0.00 C ATOM 557 O ASP B 38 -5.845 3.454 -0.257 1.00 0.00 O ATOM 558 CB ASP B 38 -4.362 5.329 1.205 1.00 0.00 C ATOM 559 CG ASP B 38 -5.484 6.137 0.548 1.00 0.00 C ATOM 560 OD1 ASP B 38 -6.606 6.134 1.103 1.00 0.00 O ATOM 561 OD2 ASP B 38 -5.200 6.737 -0.511 1.00 0.00 O ATOM 0 H ASP B 38 -2.850 3.511 2.170 1.00 0.00 H new ATOM 0 HA ASP B 38 -5.692 4.219 2.499 1.00 0.00 H new ATOM 0 HB2 ASP B 38 -3.883 5.942 1.969 1.00 0.00 H new ATOM 0 HB3 ASP B 38 -3.603 5.102 0.457 1.00 0.00 H new ATOM 566 N CYS B 39 -5.037 1.740 0.936 1.00 0.00 N ATOM 567 CA CYS B 39 -5.263 0.787 -0.131 1.00 0.00 C ATOM 568 C CYS B 39 -6.759 0.485 -0.310 1.00 0.00 C ATOM 569 O CYS B 39 -7.398 0.019 0.633 1.00 0.00 O ATOM 570 CB CYS B 39 -4.480 -0.483 0.151 1.00 0.00 C ATOM 571 SG CYS B 39 -4.480 -1.619 -1.249 1.00 0.00 S ATOM 0 H CYS B 39 -4.678 1.336 1.801 1.00 0.00 H new ATOM 0 HA CYS B 39 -4.913 1.222 -1.067 1.00 0.00 H new ATOM 0 HB2 CYS B 39 -3.452 -0.224 0.404 1.00 0.00 H new ATOM 0 HB3 CYS B 39 -4.906 -0.983 1.021 1.00 0.00 H new ATOM 576 N PRO B 40 -7.331 0.736 -1.501 1.00 0.00 N ATOM 577 CA PRO B 40 -8.713 0.445 -1.828 1.00 0.00 C ATOM 578 C PRO B 40 -8.921 -1.011 -2.255 1.00 0.00 C ATOM 579 O PRO B 40 -10.010 -1.553 -2.063 1.00 0.00 O ATOM 580 CB PRO B 40 -9.051 1.422 -2.944 1.00 0.00 C ATOM 581 CG PRO B 40 -7.749 1.499 -3.736 1.00 0.00 C ATOM 582 CD PRO B 40 -6.686 1.357 -2.645 1.00 0.00 C ATOM 0 HA PRO B 40 -9.367 0.563 -0.964 1.00 0.00 H new ATOM 0 HB2 PRO B 40 -9.877 1.063 -3.558 1.00 0.00 H new ATOM 0 HB3 PRO B 40 -9.344 2.396 -2.553 1.00 0.00 H new ATOM 0 HG2 PRO B 40 -7.678 0.703 -4.477 1.00 0.00 H new ATOM 0 HG3 PRO B 40 -7.656 2.443 -4.272 1.00 0.00 H new ATOM 0 HD2 PRO B 40 -5.853 0.748 -2.995 1.00 0.00 H new ATOM 0 HD3 PRO B 40 -6.278 2.331 -2.376 1.00 0.00 H new ATOM 590 N LYS B 41 -7.895 -1.647 -2.837 1.00 0.00 N ATOM 591 CA LYS B 41 -7.966 -3.012 -3.319 1.00 0.00 C ATOM 592 C LYS B 41 -8.033 -3.970 -2.136 1.00 0.00 C ATOM 593 O LYS B 41 -8.731 -4.981 -2.187 1.00 0.00 O ATOM 594 CB LYS B 41 -6.731 -3.306 -4.176 1.00 0.00 C ATOM 595 CG LYS B 41 -6.408 -2.222 -5.215 1.00 0.00 C ATOM 596 CD LYS B 41 -7.093 -2.373 -6.575 1.00 0.00 C ATOM 597 CE LYS B 41 -8.617 -2.209 -6.558 1.00 0.00 C ATOM 598 NZ LYS B 41 -9.307 -3.509 -6.480 1.00 0.00 N ATOM 0 H LYS B 41 -6.984 -1.212 -2.983 1.00 0.00 H new ATOM 0 HA LYS B 41 -8.862 -3.146 -3.926 1.00 0.00 H new ATOM 0 HB2 LYS B 41 -5.870 -3.431 -3.520 1.00 0.00 H new ATOM 0 HB3 LYS B 41 -6.879 -4.254 -4.692 1.00 0.00 H new ATOM 0 HG2 LYS B 41 -6.682 -1.253 -4.798 1.00 0.00 H new ATOM 0 HG3 LYS B 41 -5.330 -2.207 -5.373 1.00 0.00 H new ATOM 0 HD2 LYS B 41 -6.672 -1.637 -7.260 1.00 0.00 H new ATOM 0 HD3 LYS B 41 -6.854 -3.357 -6.978 1.00 0.00 H new ATOM 0 HE2 LYS B 41 -8.907 -1.592 -5.707 1.00 0.00 H new ATOM 0 HE3 LYS B 41 -8.936 -1.682 -7.457 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 -10.266 -3.371 -6.103 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 -9.365 -3.929 -7.430 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 -8.777 -4.146 -5.852 1.00 0.00 H new ATOM 612 N LYS B 42 -7.329 -3.610 -1.061 1.00 0.00 N ATOM 613 CA LYS B 42 -7.367 -4.257 0.223 1.00 0.00 C ATOM 614 C LYS B 42 -8.751 -4.096 0.845 1.00 0.00 C ATOM 615 O LYS B 42 -9.522 -3.244 0.407 1.00 0.00 O ATOM 616 CB LYS B 42 -6.284 -3.612 1.090 1.00 0.00 C ATOM 617 CG LYS B 42 -5.041 -4.498 1.200 1.00 0.00 C ATOM 618 CD LYS B 42 -3.798 -3.755 1.712 1.00 0.00 C ATOM 619 CE LYS B 42 -3.960 -3.163 3.116 1.00 0.00 C ATOM 620 NZ LYS B 42 -4.258 -4.197 4.121 1.00 0.00 N ATOM 0 H LYS B 42 -6.688 -2.817 -1.079 1.00 0.00 H new ATOM 0 HA LYS B 42 -7.178 -5.327 0.134 1.00 0.00 H new ATOM 0 HB2 LYS B 42 -6.006 -2.647 0.666 1.00 0.00 H new ATOM 0 HB3 LYS B 42 -6.683 -3.420 2.086 1.00 0.00 H new ATOM 0 HG2 LYS B 42 -5.257 -5.331 1.869 1.00 0.00 H new ATOM 0 HG3 LYS B 42 -4.821 -4.924 0.221 1.00 0.00 H new ATOM 0 HD2 LYS B 42 -2.952 -4.442 1.714 1.00 0.00 H new ATOM 0 HD3 LYS B 42 -3.555 -2.952 1.016 1.00 0.00 H new ATOM 0 HE2 LYS B 42 -3.046 -2.639 3.396 1.00 0.00 H new ATOM 0 HE3 LYS B 42 -4.762 -2.424 3.107 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 -4.160 -3.793 5.074 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 -5.231 -4.539 3.989 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 -3.594 -4.990 4.011 1.00 0.00 H new ATOM 634 N PRO B 43 -9.061 -4.905 1.869 1.00 0.00 N ATOM 635 CA PRO B 43 -10.337 -4.909 2.567 1.00 0.00 C ATOM 636 C PRO B 43 -10.891 -3.514 2.878 1.00 0.00 C ATOM 637 O PRO B 43 -12.077 -3.270 2.659 1.00 0.00 O ATOM 638 CB PRO B 43 -10.065 -5.715 3.836 1.00 0.00 C ATOM 639 CG PRO B 43 -9.057 -6.754 3.355 1.00 0.00 C ATOM 640 CD PRO B 43 -8.167 -5.895 2.460 1.00 0.00 C ATOM 0 HA PRO B 43 -11.119 -5.343 1.943 1.00 0.00 H new ATOM 0 HB2 PRO B 43 -9.658 -5.093 4.633 1.00 0.00 H new ATOM 0 HB3 PRO B 43 -10.972 -6.178 4.225 1.00 0.00 H new ATOM 0 HG2 PRO B 43 -8.503 -7.205 4.178 1.00 0.00 H new ATOM 0 HG3 PRO B 43 -9.532 -7.568 2.807 1.00 0.00 H new ATOM 0 HD2 PRO B 43 -7.375 -5.416 3.036 1.00 0.00 H new ATOM 0 HD3 PRO B 43 -7.683 -6.497 1.691 1.00 0.00 H new ATOM 648 N ARG B 44 -10.027 -2.614 3.375 1.00 0.00 N ATOM 649 CA ARG B 44 -10.333 -1.248 3.794 1.00 0.00 C ATOM 650 C ARG B 44 -11.123 -1.271 5.106 1.00 0.00 C ATOM 651 O ARG B 44 -10.604 -0.869 6.145 1.00 0.00 O ATOM 652 CB ARG B 44 -11.036 -0.446 2.680 1.00 0.00 C ATOM 653 CG ARG B 44 -11.030 1.065 2.958 1.00 0.00 C ATOM 654 CD ARG B 44 -9.733 1.719 2.471 1.00 0.00 C ATOM 655 NE ARG B 44 -9.667 3.143 2.841 1.00 0.00 N ATOM 656 CZ ARG B 44 -8.905 4.062 2.223 1.00 0.00 C ATOM 657 NH1 ARG B 44 -8.261 3.775 1.087 1.00 0.00 N ATOM 658 NH2 ARG B 44 -8.767 5.287 2.744 1.00 0.00 N ATOM 0 H ARG B 44 -9.040 -2.840 3.500 1.00 0.00 H new ATOM 0 HA ARG B 44 -9.398 -0.721 3.981 1.00 0.00 H new ATOM 0 HB2 ARG B 44 -10.542 -0.640 1.728 1.00 0.00 H new ATOM 0 HB3 ARG B 44 -12.065 -0.791 2.581 1.00 0.00 H new ATOM 0 HG2 ARG B 44 -11.882 1.531 2.463 1.00 0.00 H new ATOM 0 HG3 ARG B 44 -11.148 1.240 4.027 1.00 0.00 H new ATOM 0 HD2 ARG B 44 -8.878 1.193 2.896 1.00 0.00 H new ATOM 0 HD3 ARG B 44 -9.661 1.621 1.388 1.00 0.00 H new ATOM 0 HE ARG B 44 -10.242 3.455 3.624 1.00 0.00 H new ATOM 0 HH11 ARG B 44 -8.343 2.846 0.675 1.00 0.00 H new ATOM 0 HH12 ARG B 44 -7.687 4.485 0.632 1.00 0.00 H new ATOM 0 HH21 ARG B 44 -9.241 5.527 3.614 1.00 0.00 H new ATOM 0 HH22 ARG B 44 -8.188 5.980 2.271 1.00 0.00 H new ATOM 672 N GLY B 45 -12.364 -1.767 5.048 1.00 0.00 N ATOM 673 CA GLY B 45 -13.202 -2.069 6.196 1.00 0.00 C ATOM 674 C GLY B 45 -13.257 -3.587 6.399 1.00 0.00 C ATOM 675 O GLY B 45 -12.423 -4.307 5.847 1.00 0.00 O ATOM 0 H GLY B 45 -12.823 -1.974 4.161 1.00 0.00 H new ATOM 0 HA2 GLY B 45 -12.804 -1.586 7.088 1.00 0.00 H new ATOM 0 HA3 GLY B 45 -14.206 -1.675 6.041 1.00 0.00 H new ATOM 679 N PRO B 46 -14.233 -4.091 7.172 1.00 0.00 N ATOM 680 CA PRO B 46 -14.408 -5.514 7.430 1.00 0.00 C ATOM 681 C PRO B 46 -15.078 -6.188 6.225 1.00 0.00 C ATOM 682 O PRO B 46 -16.226 -6.627 6.297 1.00 0.00 O ATOM 683 CB PRO B 46 -15.254 -5.570 8.707 1.00 0.00 C ATOM 684 CG PRO B 46 -16.131 -4.324 8.591 1.00 0.00 C ATOM 685 CD PRO B 46 -15.198 -3.309 7.929 1.00 0.00 C ATOM 0 HA PRO B 46 -13.472 -6.054 7.569 1.00 0.00 H new ATOM 0 HB2 PRO B 46 -15.851 -6.481 8.757 1.00 0.00 H new ATOM 0 HB3 PRO B 46 -14.634 -5.546 9.603 1.00 0.00 H new ATOM 0 HG2 PRO B 46 -17.019 -4.510 7.987 1.00 0.00 H new ATOM 0 HG3 PRO B 46 -16.475 -3.980 9.566 1.00 0.00 H new ATOM 0 HD2 PRO B 46 -15.753 -2.635 7.276 1.00 0.00 H new ATOM 0 HD3 PRO B 46 -14.700 -2.691 8.676 1.00 0.00 H new ATOM 693 N ARG B 47 -14.346 -6.264 5.109 1.00 0.00 N ATOM 694 CA ARG B 47 -14.805 -6.858 3.863 1.00 0.00 C ATOM 695 C ARG B 47 -14.702 -8.381 3.965 1.00 0.00 C ATOM 696 O ARG B 47 -13.633 -8.909 4.267 1.00 0.00 O ATOM 697 CB ARG B 47 -13.946 -6.317 2.712 1.00 0.00 C ATOM 698 CG ARG B 47 -14.489 -6.730 1.336 1.00 0.00 C ATOM 699 CD ARG B 47 -13.513 -6.349 0.218 1.00 0.00 C ATOM 700 NE ARG B 47 -13.300 -4.896 0.139 1.00 0.00 N ATOM 701 CZ ARG B 47 -12.306 -4.300 -0.543 1.00 0.00 C ATOM 702 NH1 ARG B 47 -11.418 -5.033 -1.227 1.00 0.00 N ATOM 703 NH2 ARG B 47 -12.198 -2.965 -0.533 1.00 0.00 N ATOM 0 H ARG B 47 -13.394 -5.903 5.053 1.00 0.00 H new ATOM 0 HA ARG B 47 -15.846 -6.599 3.672 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -13.905 -5.229 2.772 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -12.925 -6.681 2.821 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -14.664 -7.806 1.319 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -15.451 -6.248 1.162 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -12.558 -6.846 0.387 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -13.897 -6.711 -0.736 1.00 0.00 H new ATOM 0 HE ARG B 47 -13.955 -4.295 0.639 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -11.493 -6.050 -1.233 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -10.667 -4.574 -1.742 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -12.869 -2.403 -0.009 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -11.445 -2.510 -1.049 1.00 0.00 H new ATOM 717 N GLY B 48 -15.808 -9.085 3.703 1.00 0.00 N ATOM 718 CA GLY B 48 -15.841 -10.538 3.687 1.00 0.00 C ATOM 719 C GLY B 48 -17.259 -11.034 3.400 1.00 0.00 C ATOM 720 O GLY B 48 -18.172 -10.223 3.243 1.00 0.00 O ATOM 0 H GLY B 48 -16.708 -8.653 3.495 1.00 0.00 H new ATOM 0 HA2 GLY B 48 -15.156 -10.916 2.928 1.00 0.00 H new ATOM 0 HA3 GLY B 48 -15.500 -10.927 4.646 1.00 0.00 H new ATOM 724 N PRO B 49 -17.467 -12.360 3.358 1.00 0.00 N ATOM 725 CA PRO B 49 -18.752 -12.993 3.133 1.00 0.00 C ATOM 726 C PRO B 49 -19.331 -13.310 4.513 1.00 0.00 C ATOM 727 O PRO B 49 -19.812 -14.415 4.761 1.00 0.00 O ATOM 728 CB PRO B 49 -18.369 -14.266 2.376 1.00 0.00 C ATOM 729 CG PRO B 49 -17.077 -14.698 3.083 1.00 0.00 C ATOM 730 CD PRO B 49 -16.489 -13.395 3.644 1.00 0.00 C ATOM 0 HA PRO B 49 -19.490 -12.406 2.586 1.00 0.00 H new ATOM 0 HB2 PRO B 49 -19.144 -15.029 2.447 1.00 0.00 H new ATOM 0 HB3 PRO B 49 -18.206 -14.074 1.315 1.00 0.00 H new ATOM 0 HG2 PRO B 49 -17.281 -15.416 3.878 1.00 0.00 H new ATOM 0 HG3 PRO B 49 -16.387 -15.178 2.389 1.00 0.00 H new ATOM 0 HD2 PRO B 49 -16.310 -13.477 4.716 1.00 0.00 H new ATOM 0 HD3 PRO B 49 -15.531 -13.166 3.177 1.00 0.00 H new ATOM 738 N ARG B 50 -19.228 -12.340 5.429 1.00 0.00 N ATOM 739 CA ARG B 50 -19.494 -12.554 6.835 1.00 0.00 C ATOM 740 C ARG B 50 -20.945 -12.969 7.127 1.00 0.00 C ATOM 741 O ARG B 50 -21.132 -13.861 7.953 1.00 0.00 O ATOM 742 CB ARG B 50 -19.052 -11.341 7.666 1.00 0.00 C ATOM 743 CG ARG B 50 -17.530 -11.147 7.592 1.00 0.00 C ATOM 744 CD ARG B 50 -17.049 -9.980 8.462 1.00 0.00 C ATOM 745 NE ARG B 50 -17.463 -8.679 7.916 1.00 0.00 N ATOM 746 CZ ARG B 50 -18.536 -7.957 8.280 1.00 0.00 C ATOM 747 NH1 ARG B 50 -19.398 -8.399 9.207 1.00 0.00 N ATOM 748 NH2 ARG B 50 -18.743 -6.770 7.696 1.00 0.00 N ATOM 0 H ARG B 50 -18.956 -11.383 5.203 1.00 0.00 H new ATOM 0 HA ARG B 50 -18.890 -13.408 7.143 1.00 0.00 H new ATOM 0 HB2 ARG B 50 -19.554 -10.444 7.303 1.00 0.00 H new ATOM 0 HB3 ARG B 50 -19.355 -11.477 8.704 1.00 0.00 H new ATOM 0 HG2 ARG B 50 -17.033 -12.063 7.911 1.00 0.00 H new ATOM 0 HG3 ARG B 50 -17.239 -10.970 6.557 1.00 0.00 H new ATOM 0 HD2 ARG B 50 -17.446 -10.093 9.471 1.00 0.00 H new ATOM 0 HD3 ARG B 50 -15.962 -10.011 8.541 1.00 0.00 H new ATOM 0 HE ARG B 50 -16.874 -8.283 7.184 1.00 0.00 H new ATOM 0 HH11 ARG B 50 -19.247 -9.303 9.654 1.00 0.00 H new ATOM 0 HH12 ARG B 50 -20.205 -7.831 9.465 1.00 0.00 H new ATOM 0 HH21 ARG B 50 -18.092 -6.429 6.989 1.00 0.00 H new ATOM 0 HH22 ARG B 50 -19.552 -6.207 7.958 1.00 0.00 H new ATOM 762 N PRO B 51 -21.973 -12.370 6.490 1.00 0.00 N ATOM 763 CA PRO B 51 -23.360 -12.776 6.679 1.00 0.00 C ATOM 764 C PRO B 51 -23.557 -14.257 6.346 1.00 0.00 C ATOM 765 O PRO B 51 -23.244 -14.689 5.237 1.00 0.00 O ATOM 766 CB PRO B 51 -24.196 -11.880 5.757 1.00 0.00 C ATOM 767 CG PRO B 51 -23.322 -10.639 5.598 1.00 0.00 C ATOM 768 CD PRO B 51 -21.918 -11.236 5.579 1.00 0.00 C ATOM 0 HA PRO B 51 -23.665 -12.661 7.719 1.00 0.00 H new ATOM 0 HB2 PRO B 51 -24.393 -12.360 4.798 1.00 0.00 H new ATOM 0 HB3 PRO B 51 -25.163 -11.638 6.198 1.00 0.00 H new ATOM 0 HG2 PRO B 51 -23.547 -10.097 4.679 1.00 0.00 H new ATOM 0 HG3 PRO B 51 -23.456 -9.938 6.422 1.00 0.00 H new ATOM 0 HD2 PRO B 51 -21.638 -11.552 4.574 1.00 0.00 H new ATOM 0 HD3 PRO B 51 -21.176 -10.507 5.903 1.00 0.00 H new ATOM 776 N GLN B 52 -24.069 -15.029 7.311 1.00 0.00 N ATOM 777 CA GLN B 52 -24.303 -16.460 7.166 1.00 0.00 C ATOM 778 C GLN B 52 -25.642 -16.686 6.460 1.00 0.00 C ATOM 779 O GLN B 52 -26.586 -17.210 7.050 1.00 0.00 O ATOM 780 CB GLN B 52 -24.246 -17.135 8.544 1.00 0.00 C ATOM 781 CG GLN B 52 -22.857 -16.980 9.181 1.00 0.00 C ATOM 782 CD GLN B 52 -22.743 -17.695 10.527 1.00 0.00 C ATOM 783 OE1 GLN B 52 -23.705 -18.278 11.022 1.00 0.00 O ATOM 784 NE2 GLN B 52 -21.554 -17.648 11.130 1.00 0.00 N ATOM 0 H GLN B 52 -24.335 -14.666 8.227 1.00 0.00 H new ATOM 0 HA GLN B 52 -23.526 -16.913 6.551 1.00 0.00 H new ATOM 0 HB2 GLN B 52 -25.000 -16.697 9.198 1.00 0.00 H new ATOM 0 HB3 GLN B 52 -24.487 -18.193 8.444 1.00 0.00 H new ATOM 0 HG2 GLN B 52 -22.103 -17.374 8.500 1.00 0.00 H new ATOM 0 HG3 GLN B 52 -22.640 -15.920 9.317 1.00 0.00 H new ATOM 0 HE21 GLN B 52 -20.778 -17.155 10.689 1.00 0.00 H new ATOM 0 HE22 GLN B 52 -21.421 -18.105 12.032 1.00 0.00 H new ATOM 793 N THR B 53 -25.712 -16.270 5.191 1.00 0.00 N ATOM 794 CA THR B 53 -26.899 -16.367 4.356 1.00 0.00 C ATOM 795 C THR B 53 -27.078 -17.811 3.881 1.00 0.00 C ATOM 796 O THR B 53 -28.195 -18.339 4.066 1.00 0.00 O ATOM 797 CB THR B 53 -26.759 -15.396 3.174 1.00 0.00 C ATOM 798 OG1 THR B 53 -26.477 -14.098 3.658 1.00 0.00 O ATOM 799 CG2 THR B 53 -28.039 -15.344 2.333 1.00 0.00 C ATOM 800 OXT THR B 53 -26.096 -18.358 3.332 1.00 0.00 O ATOM 0 H THR B 53 -24.919 -15.846 4.710 1.00 0.00 H new ATOM 0 HA THR B 53 -27.787 -16.092 4.925 1.00 0.00 H new ATOM 0 HB THR B 53 -25.945 -15.754 2.544 1.00 0.00 H new ATOM 0 HG1 THR B 53 -26.386 -13.480 2.903 1.00 0.00 H new ATOM 0 HG21 THR B 53 -27.903 -14.647 1.506 1.00 0.00 H new ATOM 0 HG22 THR B 53 -28.256 -16.337 1.939 1.00 0.00 H new ATOM 0 HG23 THR B 53 -28.870 -15.011 2.955 1.00 0.00 H new TER 808 THR B 53 HETATM 809 ZN ZN B 55 -2.879 -0.929 -2.694 1.00 0.00 ZN