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 61:sc= 0.17 USER MOD Single : A 5 DC O3' : rot 180:sc= 0 USER MOD Single : B 19 SER OG : rot 180:sc= 0.301 USER MOD Single : B 20 GLN : amide:sc= 0.0462 K(o=0.046,f=-2.1!) USER MOD Single : B 25 GLN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD Single : B 30 LYS NZ :NH3+ -179:sc= 0.83 (180deg=0.795) USER MOD Single : B 32 LYS NZ :NH3+ 165:sc= 1.24 (180deg=1.05) USER MOD Single : B 37 LYS NZ :NH3+ -157:sc= 1.16 (180deg=0.251) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 LYS NZ :NH3+ 156:sc= 1.02 (180deg=-0.137) USER MOD Single : B 52 GLN : amide:sc= -0.287 X(o=-0.29,f=-0.29) USER MOD Single : B 53 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 0.139 -7.279 1.464 1.00 0.00 O ATOM 2 C5' DA A 1 1.388 -7.233 2.115 1.00 0.00 C ATOM 3 C4' DA A 1 1.242 -6.731 3.559 1.00 0.00 C ATOM 4 O4' DA A 1 2.510 -6.844 4.194 1.00 0.00 O ATOM 5 C3' DA A 1 0.809 -5.265 3.672 1.00 0.00 C ATOM 6 O3' DA A 1 0.199 -5.041 4.938 1.00 0.00 O ATOM 7 C2' DA A 1 2.179 -4.620 3.632 1.00 0.00 C ATOM 8 C1' DA A 1 2.933 -5.549 4.573 1.00 0.00 C ATOM 9 N9 DA A 1 4.402 -5.405 4.493 1.00 0.00 N ATOM 10 C8 DA A 1 5.187 -5.120 3.405 1.00 0.00 C ATOM 11 N7 DA A 1 6.465 -5.068 3.661 1.00 0.00 N ATOM 12 C5 DA A 1 6.534 -5.333 5.025 1.00 0.00 C ATOM 13 C6 DA A 1 7.603 -5.399 5.944 1.00 0.00 C ATOM 14 N6 DA A 1 8.878 -5.206 5.591 1.00 0.00 N ATOM 15 N1 DA A 1 7.328 -5.665 7.236 1.00 0.00 N ATOM 16 C2 DA A 1 6.061 -5.849 7.600 1.00 0.00 C ATOM 17 N3 DA A 1 4.970 -5.809 6.839 1.00 0.00 N ATOM 18 C4 DA A 1 5.279 -5.538 5.542 1.00 0.00 C ATOM 0 H5' DA A 1 2.064 -6.577 1.566 1.00 0.00 H new ATOM 0 H5'' DA A 1 1.838 -8.226 2.116 1.00 0.00 H new ATOM 0 H4' DA A 1 0.465 -7.338 4.023 1.00 0.00 H new ATOM 0 H3' DA A 1 0.094 -4.913 2.928 1.00 0.00 H new ATOM 0 H2' DA A 1 2.605 -4.607 2.629 1.00 0.00 H new ATOM 0 H2'' DA A 1 2.165 -3.589 3.986 1.00 0.00 H new ATOM 0 HO5' DA A 1 -0.247 -6.379 1.433 1.00 0.00 H new ATOM 0 H1' DA A 1 2.712 -5.318 5.615 1.00 0.00 H new ATOM 0 H8 DA A 1 4.781 -4.953 2.418 1.00 0.00 H new ATOM 0 H61 DA A 1 9.616 -5.264 6.293 1.00 0.00 H new ATOM 0 H62 DA A 1 9.113 -5.001 4.620 1.00 0.00 H new ATOM 0 H2 DA A 1 5.897 -6.057 8.647 1.00 0.00 H new ATOM 31 P DC A 2 -1.272 -4.394 5.102 1.00 0.00 P ATOM 32 OP1 DC A 2 -1.675 -4.491 6.522 1.00 0.00 O ATOM 33 OP2 DC A 2 -2.161 -4.983 4.075 1.00 0.00 O ATOM 34 O5' DC A 2 -1.054 -2.836 4.742 1.00 0.00 O ATOM 35 C5' DC A 2 -0.854 -1.829 5.723 1.00 0.00 C ATOM 36 C4' DC A 2 0.375 -2.072 6.611 1.00 0.00 C ATOM 37 O4' DC A 2 1.535 -2.307 5.843 1.00 0.00 O ATOM 38 C3' DC A 2 0.749 -0.848 7.452 1.00 0.00 C ATOM 39 O3' DC A 2 0.118 -0.849 8.720 1.00 0.00 O ATOM 40 C2' DC A 2 2.276 -0.963 7.556 1.00 0.00 C ATOM 41 C1' DC A 2 2.616 -2.207 6.744 1.00 0.00 C ATOM 42 N1 DC A 2 3.952 -2.084 6.101 1.00 0.00 N ATOM 43 C2 DC A 2 5.082 -2.428 6.846 1.00 0.00 C ATOM 44 O2 DC A 2 4.986 -2.765 8.024 1.00 0.00 O ATOM 45 N3 DC A 2 6.302 -2.387 6.234 1.00 0.00 N ATOM 46 C4 DC A 2 6.424 -2.017 4.952 1.00 0.00 C ATOM 47 N4 DC A 2 7.638 -2.035 4.391 1.00 0.00 N ATOM 48 C5 DC A 2 5.281 -1.608 4.186 1.00 0.00 C ATOM 49 C6 DC A 2 4.079 -1.639 4.811 1.00 0.00 C ATOM 0 H5' DC A 2 -1.741 -1.766 6.354 1.00 0.00 H new ATOM 0 H5'' DC A 2 -0.748 -0.865 5.226 1.00 0.00 H new ATOM 0 H4' DC A 2 0.089 -2.923 7.228 1.00 0.00 H new ATOM 0 H3' DC A 2 0.421 0.092 7.007 1.00 0.00 H new ATOM 0 H2' DC A 2 2.770 -0.078 7.154 1.00 0.00 H new ATOM 0 H2'' DC A 2 2.598 -1.064 8.593 1.00 0.00 H new ATOM 0 H1' DC A 2 2.716 -3.117 7.335 1.00 0.00 H new ATOM 0 H41 DC A 2 7.754 -1.757 3.416 1.00 0.00 H new ATOM 0 H42 DC A 2 8.448 -2.326 4.938 1.00 0.00 H new ATOM 0 H5 DC A 2 5.375 -1.290 3.158 1.00 0.00 H new ATOM 0 H6 DC A 2 3.200 -1.305 4.280 1.00 0.00 H new ATOM 61 P DG A 3 -0.009 0.503 9.600 1.00 0.00 P ATOM 62 OP1 DG A 3 -0.478 0.139 10.954 1.00 0.00 O ATOM 63 OP2 DG A 3 -0.774 1.501 8.810 1.00 0.00 O ATOM 64 O5' DG A 3 1.522 1.009 9.718 1.00 0.00 O ATOM 65 C5' DG A 3 1.826 2.366 9.969 1.00 0.00 C ATOM 66 C4' DG A 3 3.305 2.687 9.683 1.00 0.00 C ATOM 67 O4' DG A 3 3.699 2.023 8.490 1.00 0.00 O ATOM 68 C3' DG A 3 3.406 4.197 9.427 1.00 0.00 C ATOM 69 O3' DG A 3 4.580 4.864 9.888 1.00 0.00 O ATOM 70 C2' DG A 3 3.166 4.264 7.928 1.00 0.00 C ATOM 71 C1' DG A 3 3.749 2.941 7.414 1.00 0.00 C ATOM 72 N9 DG A 3 3.057 2.403 6.216 1.00 0.00 N ATOM 73 C8 DG A 3 1.713 2.265 5.978 1.00 0.00 C ATOM 74 N7 DG A 3 1.419 1.858 4.773 1.00 0.00 N ATOM 75 C5 DG A 3 2.658 1.705 4.163 1.00 0.00 C ATOM 76 C6 DG A 3 2.985 1.366 2.813 1.00 0.00 C ATOM 77 O6 DG A 3 2.220 1.178 1.870 1.00 0.00 O ATOM 78 N1 DG A 3 4.360 1.294 2.600 1.00 0.00 N ATOM 79 C2 DG A 3 5.313 1.526 3.576 1.00 0.00 C ATOM 80 N2 DG A 3 6.594 1.399 3.217 1.00 0.00 N ATOM 81 N3 DG A 3 5.008 1.868 4.838 1.00 0.00 N ATOM 82 C4 DG A 3 3.667 1.964 5.061 1.00 0.00 C ATOM 0 H5' DG A 3 1.598 2.603 11.008 1.00 0.00 H new ATOM 0 H5'' DG A 3 1.191 3.000 9.351 1.00 0.00 H new ATOM 0 H4' DG A 3 3.933 2.374 10.517 1.00 0.00 H new ATOM 0 H3' DG A 3 2.689 4.762 10.022 1.00 0.00 H new ATOM 0 H2' DG A 3 2.105 4.353 7.695 1.00 0.00 H new ATOM 0 H2'' DG A 3 3.664 5.124 7.480 1.00 0.00 H new ATOM 0 H1' DG A 3 4.772 3.114 7.080 1.00 0.00 H new ATOM 0 H8 DG A 3 0.962 2.475 6.725 1.00 0.00 H new ATOM 0 H1 DG A 3 4.685 1.055 1.663 1.00 0.00 H new ATOM 0 H21 DG A 3 7.334 1.560 3.901 1.00 0.00 H new ATOM 0 H22 DG A 3 6.832 1.141 2.259 1.00 0.00 H new ATOM 94 P DC A 4 6.075 4.754 9.259 1.00 0.00 P ATOM 95 OP1 DC A 4 6.383 3.335 8.969 1.00 0.00 O ATOM 96 OP2 DC A 4 6.979 5.496 10.163 1.00 0.00 O ATOM 97 O5' DC A 4 6.059 5.569 7.852 1.00 0.00 O ATOM 98 C5' DC A 4 7.174 5.475 6.982 1.00 0.00 C ATOM 99 C4' DC A 4 7.302 6.552 5.897 1.00 0.00 C ATOM 100 O4' DC A 4 6.414 6.370 4.811 1.00 0.00 O ATOM 101 C3' DC A 4 7.163 8.012 6.353 1.00 0.00 C ATOM 102 O3' DC A 4 8.348 8.737 6.069 1.00 0.00 O ATOM 103 C2' DC A 4 6.059 8.522 5.427 1.00 0.00 C ATOM 104 C1' DC A 4 6.261 7.632 4.200 1.00 0.00 C ATOM 105 N1 DC A 4 5.196 7.654 3.147 1.00 0.00 N ATOM 106 C2 DC A 4 5.594 7.380 1.833 1.00 0.00 C ATOM 107 O2 DC A 4 6.774 7.176 1.555 1.00 0.00 O ATOM 108 N3 DC A 4 4.647 7.325 0.856 1.00 0.00 N ATOM 109 C4 DC A 4 3.352 7.514 1.124 1.00 0.00 C ATOM 110 N4 DC A 4 2.469 7.403 0.126 1.00 0.00 N ATOM 111 C5 DC A 4 2.912 7.814 2.456 1.00 0.00 C ATOM 112 C6 DC A 4 3.863 7.888 3.423 1.00 0.00 C ATOM 0 H5' DC A 4 7.140 4.502 6.492 1.00 0.00 H new ATOM 0 H5'' DC A 4 8.080 5.495 7.588 1.00 0.00 H new ATOM 0 H4' DC A 4 8.337 6.397 5.592 1.00 0.00 H new ATOM 0 H3' DC A 4 6.966 8.114 7.420 1.00 0.00 H new ATOM 0 H2' DC A 4 5.068 8.401 5.864 1.00 0.00 H new ATOM 0 H2'' DC A 4 6.176 9.580 5.191 1.00 0.00 H new ATOM 0 H1' DC A 4 7.099 7.972 3.592 1.00 0.00 H new ATOM 0 H41 DC A 4 1.475 7.543 0.307 1.00 0.00 H new ATOM 0 H42 DC A 4 2.790 7.178 -0.816 1.00 0.00 H new ATOM 0 H5 DC A 4 1.868 7.974 2.681 1.00 0.00 H new ATOM 0 H6 DC A 4 3.570 8.136 4.432 1.00 0.00 H new ATOM 124 P DC A 5 9.648 8.705 7.029 1.00 0.00 P ATOM 125 OP1 DC A 5 10.825 9.034 6.191 1.00 0.00 O ATOM 126 OP2 DC A 5 9.645 7.440 7.794 1.00 0.00 O ATOM 127 O5' DC A 5 9.374 9.922 8.054 1.00 0.00 O ATOM 128 C5' DC A 5 9.338 11.270 7.618 1.00 0.00 C ATOM 129 C4' DC A 5 7.979 11.906 7.925 1.00 0.00 C ATOM 130 O4' DC A 5 6.921 11.208 7.302 1.00 0.00 O ATOM 131 C3' DC A 5 7.597 11.900 9.402 1.00 0.00 C ATOM 132 O3' DC A 5 8.269 12.902 10.134 1.00 0.00 O ATOM 133 C2' DC A 5 6.100 12.175 9.307 1.00 0.00 C ATOM 134 C1' DC A 5 5.715 11.613 7.927 1.00 0.00 C ATOM 135 N1 DC A 5 4.779 10.454 8.000 1.00 0.00 N ATOM 136 C2 DC A 5 3.661 10.427 7.157 1.00 0.00 C ATOM 137 O2 DC A 5 3.449 11.327 6.347 1.00 0.00 O ATOM 138 N3 DC A 5 2.803 9.370 7.244 1.00 0.00 N ATOM 139 C4 DC A 5 3.021 8.367 8.106 1.00 0.00 C ATOM 140 N4 DC A 5 2.134 7.368 8.161 1.00 0.00 N ATOM 141 C5 DC A 5 4.175 8.356 8.959 1.00 0.00 C ATOM 142 C6 DC A 5 5.018 9.412 8.866 1.00 0.00 C ATOM 0 H5' DC A 5 9.532 11.315 6.546 1.00 0.00 H new ATOM 0 H5'' DC A 5 10.129 11.837 8.109 1.00 0.00 H new ATOM 0 H4' DC A 5 8.104 12.926 7.560 1.00 0.00 H new ATOM 0 H3' DC A 5 7.859 10.982 9.927 1.00 0.00 H new ATOM 0 H2' DC A 5 5.550 11.681 10.108 1.00 0.00 H new ATOM 0 H2'' DC A 5 5.883 13.241 9.381 1.00 0.00 H new ATOM 0 HO3' DC A 5 7.993 12.862 11.073 1.00 0.00 H new ATOM 0 H1' DC A 5 5.190 12.387 7.367 1.00 0.00 H new ATOM 0 H41 DC A 5 2.278 6.593 8.809 1.00 0.00 H new ATOM 0 H42 DC A 5 1.314 7.381 7.555 1.00 0.00 H new ATOM 0 H5 DC A 5 4.363 7.542 9.644 1.00 0.00 H new ATOM 0 H6 DC A 5 5.901 9.437 9.488 1.00 0.00 H new TER 155 DC A 5 ATOM 156 N GLY B 14 9.162 3.220 8.510 1.00 0.00 N ATOM 157 CA GLY B 14 9.656 2.638 7.250 1.00 0.00 C ATOM 158 C GLY B 14 11.145 2.914 7.053 1.00 0.00 C ATOM 159 O GLY B 14 11.611 4.005 7.378 1.00 0.00 O ATOM 0 HA2 GLY B 14 9.481 1.562 7.252 1.00 0.00 H new ATOM 0 HA3 GLY B 14 9.094 3.051 6.412 1.00 0.00 H new ATOM 165 N GLU B 15 11.890 1.930 6.536 1.00 0.00 N ATOM 166 CA GLU B 15 13.347 1.968 6.490 1.00 0.00 C ATOM 167 C GLU B 15 13.846 2.772 5.285 1.00 0.00 C ATOM 168 O GLU B 15 14.214 2.201 4.260 1.00 0.00 O ATOM 169 CB GLU B 15 13.892 0.529 6.526 1.00 0.00 C ATOM 170 CG GLU B 15 15.424 0.450 6.621 1.00 0.00 C ATOM 171 CD GLU B 15 15.980 1.184 7.839 1.00 0.00 C ATOM 172 OE1 GLU B 15 15.466 0.920 8.948 1.00 0.00 O ATOM 173 OE2 GLU B 15 16.903 2.003 7.638 1.00 0.00 O ATOM 0 H GLU B 15 11.491 1.081 6.136 1.00 0.00 H new ATOM 0 HA GLU B 15 13.730 2.491 7.367 1.00 0.00 H new ATOM 0 HB2 GLU B 15 13.457 0.006 7.378 1.00 0.00 H new ATOM 0 HB3 GLU B 15 13.565 0.004 5.629 1.00 0.00 H new ATOM 0 HG2 GLU B 15 15.727 -0.596 6.663 1.00 0.00 H new ATOM 0 HG3 GLU B 15 15.862 0.873 5.717 1.00 0.00 H new ATOM 180 N ARG B 16 13.881 4.104 5.433 1.00 0.00 N ATOM 181 CA ARG B 16 14.514 5.033 4.497 1.00 0.00 C ATOM 182 C ARG B 16 13.925 4.887 3.083 1.00 0.00 C ATOM 183 O ARG B 16 12.799 4.415 2.925 1.00 0.00 O ATOM 184 CB ARG B 16 16.044 4.834 4.539 1.00 0.00 C ATOM 185 CG ARG B 16 16.615 4.962 5.961 1.00 0.00 C ATOM 186 CD ARG B 16 18.098 4.572 6.011 1.00 0.00 C ATOM 187 NE ARG B 16 18.943 5.454 5.192 1.00 0.00 N ATOM 188 CZ ARG B 16 19.365 6.679 5.548 1.00 0.00 C ATOM 189 NH1 ARG B 16 19.017 7.212 6.727 1.00 0.00 N ATOM 190 NH2 ARG B 16 20.144 7.377 4.710 1.00 0.00 N ATOM 0 H ARG B 16 13.456 4.575 6.232 1.00 0.00 H new ATOM 0 HA ARG B 16 14.304 6.059 4.798 1.00 0.00 H new ATOM 0 HB2 ARG B 16 16.290 3.850 4.139 1.00 0.00 H new ATOM 0 HB3 ARG B 16 16.521 5.570 3.892 1.00 0.00 H new ATOM 0 HG2 ARG B 16 16.496 5.987 6.311 1.00 0.00 H new ATOM 0 HG3 ARG B 16 16.048 4.326 6.640 1.00 0.00 H new ATOM 0 HD2 ARG B 16 18.443 4.602 7.045 1.00 0.00 H new ATOM 0 HD3 ARG B 16 18.211 3.544 5.667 1.00 0.00 H new ATOM 0 HE ARG B 16 19.233 5.107 4.278 1.00 0.00 H new ATOM 0 HH11 ARG B 16 18.424 6.687 7.369 1.00 0.00 H new ATOM 0 HH12 ARG B 16 19.346 8.143 6.983 1.00 0.00 H new ATOM 0 HH21 ARG B 16 20.412 6.978 3.810 1.00 0.00 H new ATOM 0 HH22 ARG B 16 20.469 8.308 4.972 1.00 0.00 H new ATOM 204 N ARG B 17 14.681 5.283 2.048 1.00 0.00 N ATOM 205 CA ARG B 17 14.341 4.997 0.661 1.00 0.00 C ATOM 206 C ARG B 17 14.328 3.478 0.500 1.00 0.00 C ATOM 207 O ARG B 17 15.311 2.818 0.830 1.00 0.00 O ATOM 208 CB ARG B 17 15.384 5.640 -0.266 1.00 0.00 C ATOM 209 CG ARG B 17 15.225 5.303 -1.760 1.00 0.00 C ATOM 210 CD ARG B 17 14.181 6.151 -2.502 1.00 0.00 C ATOM 211 NE ARG B 17 12.788 5.833 -2.154 1.00 0.00 N ATOM 212 CZ ARG B 17 12.044 4.861 -2.711 1.00 0.00 C ATOM 213 NH1 ARG B 17 12.594 3.881 -3.440 1.00 0.00 N ATOM 214 NH2 ARG B 17 10.719 4.880 -2.541 1.00 0.00 N ATOM 0 H ARG B 17 15.546 5.812 2.158 1.00 0.00 H new ATOM 0 HA ARG B 17 13.366 5.407 0.398 1.00 0.00 H new ATOM 0 HB2 ARG B 17 15.336 6.722 -0.146 1.00 0.00 H new ATOM 0 HB3 ARG B 17 16.377 5.327 0.058 1.00 0.00 H new ATOM 0 HG2 ARG B 17 16.190 5.428 -2.251 1.00 0.00 H new ATOM 0 HG3 ARG B 17 14.953 4.252 -1.854 1.00 0.00 H new ATOM 0 HD2 ARG B 17 14.366 7.204 -2.288 1.00 0.00 H new ATOM 0 HD3 ARG B 17 14.316 6.016 -3.575 1.00 0.00 H new ATOM 0 HE ARG B 17 12.348 6.398 -1.428 1.00 0.00 H new ATOM 0 HH11 ARG B 17 13.603 3.858 -3.585 1.00 0.00 H new ATOM 0 HH12 ARG B 17 12.003 3.157 -3.850 1.00 0.00 H new ATOM 0 HH21 ARG B 17 10.285 5.625 -1.995 1.00 0.00 H new ATOM 0 HH22 ARG B 17 10.141 4.150 -2.957 1.00 0.00 H new ATOM 228 N ARG B 18 13.205 2.940 0.014 1.00 0.00 N ATOM 229 CA ARG B 18 12.946 1.514 -0.095 1.00 0.00 C ATOM 230 C ARG B 18 12.888 0.872 1.294 1.00 0.00 C ATOM 231 O ARG B 18 13.892 0.378 1.803 1.00 0.00 O ATOM 232 CB ARG B 18 13.943 0.828 -1.046 1.00 0.00 C ATOM 233 CG ARG B 18 13.473 -0.585 -1.432 1.00 0.00 C ATOM 234 CD ARG B 18 14.542 -1.654 -1.178 1.00 0.00 C ATOM 235 NE ARG B 18 14.797 -1.800 0.263 1.00 0.00 N ATOM 236 CZ ARG B 18 14.731 -2.922 0.999 1.00 0.00 C ATOM 237 NH1 ARG B 18 14.540 -4.126 0.440 1.00 0.00 N ATOM 238 NH2 ARG B 18 14.840 -2.826 2.331 1.00 0.00 N ATOM 0 H ARG B 18 12.430 3.510 -0.324 1.00 0.00 H new ATOM 0 HA ARG B 18 11.965 1.369 -0.548 1.00 0.00 H new ATOM 0 HB2 ARG B 18 14.063 1.431 -1.946 1.00 0.00 H new ATOM 0 HB3 ARG B 18 14.921 0.770 -0.569 1.00 0.00 H new ATOM 0 HG2 ARG B 18 12.576 -0.833 -0.865 1.00 0.00 H new ATOM 0 HG3 ARG B 18 13.197 -0.596 -2.486 1.00 0.00 H new ATOM 0 HD2 ARG B 18 14.216 -2.608 -1.593 1.00 0.00 H new ATOM 0 HD3 ARG B 18 15.465 -1.382 -1.690 1.00 0.00 H new ATOM 0 HE ARG B 18 15.054 -0.949 0.763 1.00 0.00 H new ATOM 0 HH11 ARG B 18 14.440 -4.208 -0.572 1.00 0.00 H new ATOM 0 HH12 ARG B 18 14.495 -4.959 1.027 1.00 0.00 H new ATOM 0 HH21 ARG B 18 14.970 -1.913 2.768 1.00 0.00 H new ATOM 0 HH22 ARG B 18 14.793 -3.665 2.908 1.00 0.00 H new ATOM 252 N SER B 19 11.693 0.867 1.897 1.00 0.00 N ATOM 253 CA SER B 19 11.451 0.258 3.194 1.00 0.00 C ATOM 254 C SER B 19 11.610 -1.258 3.089 1.00 0.00 C ATOM 255 O SER B 19 12.344 -1.856 3.874 1.00 0.00 O ATOM 256 CB SER B 19 10.068 0.662 3.716 1.00 0.00 C ATOM 257 OG SER B 19 9.911 0.242 5.054 1.00 0.00 O ATOM 0 H SER B 19 10.862 1.293 1.486 1.00 0.00 H new ATOM 0 HA SER B 19 12.185 0.618 3.915 1.00 0.00 H new ATOM 0 HB2 SER B 19 9.948 1.743 3.650 1.00 0.00 H new ATOM 0 HB3 SER B 19 9.292 0.216 3.094 1.00 0.00 H new ATOM 0 HG SER B 19 9.025 0.507 5.378 1.00 0.00 H new ATOM 263 N GLN B 20 10.946 -1.870 2.100 1.00 0.00 N ATOM 264 CA GLN B 20 11.155 -3.265 1.745 1.00 0.00 C ATOM 265 C GLN B 20 10.831 -3.448 0.262 1.00 0.00 C ATOM 266 O GLN B 20 11.730 -3.396 -0.575 1.00 0.00 O ATOM 267 CB GLN B 20 10.356 -4.187 2.681 1.00 0.00 C ATOM 268 CG GLN B 20 10.681 -5.668 2.442 1.00 0.00 C ATOM 269 CD GLN B 20 12.132 -5.992 2.796 1.00 0.00 C ATOM 270 OE1 GLN B 20 12.989 -6.076 1.917 1.00 0.00 O ATOM 271 NE2 GLN B 20 12.417 -6.163 4.088 1.00 0.00 N ATOM 0 H GLN B 20 10.246 -1.401 1.525 1.00 0.00 H new ATOM 0 HA GLN B 20 12.198 -3.551 1.885 1.00 0.00 H new ATOM 0 HB2 GLN B 20 10.575 -3.930 3.717 1.00 0.00 H new ATOM 0 HB3 GLN B 20 9.289 -4.021 2.530 1.00 0.00 H new ATOM 0 HG2 GLN B 20 10.013 -6.288 3.040 1.00 0.00 H new ATOM 0 HG3 GLN B 20 10.497 -5.917 1.397 1.00 0.00 H new ATOM 0 HE21 GLN B 20 11.679 -6.085 4.788 1.00 0.00 H new ATOM 0 HE22 GLN B 20 13.373 -6.371 4.376 1.00 0.00 H new ATOM 280 N LEU B 21 9.544 -3.611 -0.062 1.00 0.00 N ATOM 281 CA LEU B 21 9.023 -3.591 -1.423 1.00 0.00 C ATOM 282 C LEU B 21 8.715 -2.134 -1.792 1.00 0.00 C ATOM 283 O LEU B 21 7.574 -1.758 -2.055 1.00 0.00 O ATOM 284 CB LEU B 21 7.837 -4.568 -1.561 1.00 0.00 C ATOM 285 CG LEU B 21 6.913 -4.705 -0.335 1.00 0.00 C ATOM 286 CD1 LEU B 21 6.279 -3.371 0.061 1.00 0.00 C ATOM 287 CD2 LEU B 21 5.801 -5.715 -0.646 1.00 0.00 C ATOM 0 H LEU B 21 8.819 -3.765 0.639 1.00 0.00 H new ATOM 0 HA LEU B 21 9.755 -3.953 -2.145 1.00 0.00 H new ATOM 0 HB2 LEU B 21 7.232 -4.252 -2.411 1.00 0.00 H new ATOM 0 HB3 LEU B 21 8.234 -5.554 -1.801 1.00 0.00 H new ATOM 0 HG LEU B 21 7.523 -5.047 0.501 1.00 0.00 H new ATOM 0 HD11 LEU B 21 5.636 -3.517 0.929 1.00 0.00 H new ATOM 0 HD12 LEU B 21 7.063 -2.654 0.306 1.00 0.00 H new ATOM 0 HD13 LEU B 21 5.685 -2.990 -0.770 1.00 0.00 H new ATOM 0 HD21 LEU B 21 5.146 -5.813 0.220 1.00 0.00 H new ATOM 0 HD22 LEU B 21 5.222 -5.367 -1.501 1.00 0.00 H new ATOM 0 HD23 LEU B 21 6.244 -6.684 -0.878 1.00 0.00 H new ATOM 299 N ASP B 22 9.776 -1.319 -1.783 1.00 0.00 N ATOM 300 CA ASP B 22 9.765 0.134 -1.877 1.00 0.00 C ATOM 301 C ASP B 22 9.340 0.751 -0.534 1.00 0.00 C ATOM 302 O ASP B 22 9.276 0.061 0.484 1.00 0.00 O ATOM 303 CB ASP B 22 8.935 0.651 -3.064 1.00 0.00 C ATOM 304 CG ASP B 22 9.459 1.993 -3.565 1.00 0.00 C ATOM 305 OD1 ASP B 22 10.555 2.011 -4.167 1.00 0.00 O ATOM 306 OD2 ASP B 22 8.785 3.002 -3.264 1.00 0.00 O ATOM 0 H ASP B 22 10.724 -1.687 -1.705 1.00 0.00 H new ATOM 0 HA ASP B 22 10.783 0.462 -2.086 1.00 0.00 H new ATOM 0 HB2 ASP B 22 8.962 -0.078 -3.874 1.00 0.00 H new ATOM 0 HB3 ASP B 22 7.892 0.755 -2.764 1.00 0.00 H new ATOM 311 N ARG B 23 9.088 2.063 -0.538 1.00 0.00 N ATOM 312 CA ARG B 23 8.714 2.895 0.594 1.00 0.00 C ATOM 313 C ARG B 23 7.436 3.635 0.195 1.00 0.00 C ATOM 314 O ARG B 23 6.387 3.464 0.814 1.00 0.00 O ATOM 315 CB ARG B 23 9.894 3.844 0.889 1.00 0.00 C ATOM 316 CG ARG B 23 9.556 5.141 1.628 1.00 0.00 C ATOM 317 CD ARG B 23 9.056 4.906 3.055 1.00 0.00 C ATOM 318 NE ARG B 23 10.134 5.032 4.047 1.00 0.00 N ATOM 319 CZ ARG B 23 10.643 6.201 4.477 1.00 0.00 C ATOM 320 NH1 ARG B 23 10.291 7.361 3.905 1.00 0.00 N ATOM 321 NH2 ARG B 23 11.484 6.226 5.516 1.00 0.00 N ATOM 0 H ARG B 23 9.146 2.605 -1.400 1.00 0.00 H new ATOM 0 HA ARG B 23 8.514 2.330 1.504 1.00 0.00 H new ATOM 0 HB2 ARG B 23 10.632 3.299 1.477 1.00 0.00 H new ATOM 0 HB3 ARG B 23 10.368 4.104 -0.057 1.00 0.00 H new ATOM 0 HG2 ARG B 23 10.442 5.776 1.660 1.00 0.00 H new ATOM 0 HG3 ARG B 23 8.795 5.684 1.067 1.00 0.00 H new ATOM 0 HD2 ARG B 23 8.267 5.622 3.285 1.00 0.00 H new ATOM 0 HD3 ARG B 23 8.614 3.912 3.125 1.00 0.00 H new ATOM 0 HE ARG B 23 10.523 4.173 4.436 1.00 0.00 H new ATOM 0 HH11 ARG B 23 9.627 7.367 3.131 1.00 0.00 H new ATOM 0 HH12 ARG B 23 10.687 8.238 4.244 1.00 0.00 H new ATOM 0 HH21 ARG B 23 11.741 5.357 5.985 1.00 0.00 H new ATOM 0 HH22 ARG B 23 11.868 7.114 5.840 1.00 0.00 H new ATOM 335 N ASP B 24 7.555 4.450 -0.856 1.00 0.00 N ATOM 336 CA ASP B 24 6.537 5.333 -1.393 1.00 0.00 C ATOM 337 C ASP B 24 5.368 4.578 -2.023 1.00 0.00 C ATOM 338 O ASP B 24 4.224 5.006 -1.873 1.00 0.00 O ATOM 339 CB ASP B 24 7.180 6.297 -2.397 1.00 0.00 C ATOM 340 CG ASP B 24 8.118 7.291 -1.714 1.00 0.00 C ATOM 341 OD1 ASP B 24 9.228 6.862 -1.328 1.00 0.00 O ATOM 342 OD2 ASP B 24 7.712 8.467 -1.589 1.00 0.00 O ATOM 0 H ASP B 24 8.426 4.508 -1.384 1.00 0.00 H new ATOM 0 HA ASP B 24 6.113 5.898 -0.563 1.00 0.00 H new ATOM 0 HB2 ASP B 24 7.735 5.727 -3.142 1.00 0.00 H new ATOM 0 HB3 ASP B 24 6.399 6.841 -2.928 1.00 0.00 H new ATOM 347 N GLN B 25 5.637 3.474 -2.731 1.00 0.00 N ATOM 348 CA GLN B 25 4.584 2.684 -3.362 1.00 0.00 C ATOM 349 C GLN B 25 3.683 2.029 -2.312 1.00 0.00 C ATOM 350 O GLN B 25 4.114 1.767 -1.188 1.00 0.00 O ATOM 351 CB GLN B 25 5.184 1.596 -4.259 1.00 0.00 C ATOM 352 CG GLN B 25 6.018 2.161 -5.415 1.00 0.00 C ATOM 353 CD GLN B 25 6.470 1.092 -6.415 1.00 0.00 C ATOM 354 OE1 GLN B 25 6.433 -0.190 -6.040 1.00 0.00 O flip ATOM 355 NE2 GLN B 25 6.846 1.425 -7.536 1.00 0.00 N flip ATOM 0 H GLN B 25 6.579 3.111 -2.879 1.00 0.00 H new ATOM 0 HA GLN B 25 3.987 3.364 -3.969 1.00 0.00 H new ATOM 0 HB2 GLN B 25 5.810 0.940 -3.654 1.00 0.00 H new ATOM 0 HB3 GLN B 25 4.379 0.984 -4.665 1.00 0.00 H new ATOM 0 HG2 GLN B 25 5.433 2.916 -5.940 1.00 0.00 H new ATOM 0 HG3 GLN B 25 6.896 2.663 -5.009 1.00 0.00 H new ATOM 0 HE21 GLN B 25 6.864 2.411 -7.796 1.00 0.00 H new ATOM 0 HE22 GLN B 25 7.140 0.715 -8.207 1.00 0.00 H new ATOM 364 N CYS B 26 2.438 1.730 -2.706 1.00 0.00 N ATOM 365 CA CYS B 26 1.516 0.927 -1.915 1.00 0.00 C ATOM 366 C CYS B 26 2.139 -0.435 -1.622 1.00 0.00 C ATOM 367 O CYS B 26 2.525 -1.152 -2.534 1.00 0.00 O ATOM 368 CB CYS B 26 0.187 0.779 -2.666 1.00 0.00 C ATOM 369 SG CYS B 26 -0.994 -0.369 -1.916 1.00 0.00 S ATOM 0 H CYS B 26 2.045 2.045 -3.593 1.00 0.00 H new ATOM 0 HA CYS B 26 1.318 1.422 -0.964 1.00 0.00 H new ATOM 0 HB2 CYS B 26 -0.281 1.760 -2.741 1.00 0.00 H new ATOM 0 HB3 CYS B 26 0.397 0.447 -3.683 1.00 0.00 H new ATOM 374 N ALA B 27 2.253 -0.807 -0.348 1.00 0.00 N ATOM 375 CA ALA B 27 2.852 -2.075 0.045 1.00 0.00 C ATOM 376 C ALA B 27 2.100 -3.287 -0.516 1.00 0.00 C ATOM 377 O ALA B 27 2.693 -4.341 -0.740 1.00 0.00 O ATOM 378 CB ALA B 27 2.919 -2.160 1.569 1.00 0.00 C ATOM 0 H ALA B 27 1.933 -0.238 0.436 1.00 0.00 H new ATOM 0 HA ALA B 27 3.856 -2.103 -0.378 1.00 0.00 H new ATOM 0 HB1 ALA B 27 3.367 -3.110 1.861 1.00 0.00 H new ATOM 0 HB2 ALA B 27 3.525 -1.339 1.953 1.00 0.00 H new ATOM 0 HB3 ALA B 27 1.912 -2.092 1.982 1.00 0.00 H new ATOM 384 N TYR B 28 0.789 -3.132 -0.716 1.00 0.00 N ATOM 385 CA TYR B 28 -0.143 -4.195 -1.035 1.00 0.00 C ATOM 386 C TYR B 28 -0.134 -4.528 -2.523 1.00 0.00 C ATOM 387 O TYR B 28 0.043 -5.683 -2.906 1.00 0.00 O ATOM 388 CB TYR B 28 -1.534 -3.731 -0.597 1.00 0.00 C ATOM 389 CG TYR B 28 -2.534 -4.856 -0.426 1.00 0.00 C ATOM 390 CD1 TYR B 28 -2.542 -5.607 0.762 1.00 0.00 C ATOM 391 CD2 TYR B 28 -3.454 -5.157 -1.446 1.00 0.00 C ATOM 392 CE1 TYR B 28 -3.450 -6.667 0.925 1.00 0.00 C ATOM 393 CE2 TYR B 28 -4.380 -6.201 -1.276 1.00 0.00 C ATOM 394 CZ TYR B 28 -4.372 -6.962 -0.094 1.00 0.00 C ATOM 395 OH TYR B 28 -5.263 -7.983 0.063 1.00 0.00 O ATOM 0 H TYR B 28 0.337 -2.220 -0.655 1.00 0.00 H new ATOM 0 HA TYR B 28 0.147 -5.106 -0.512 1.00 0.00 H new ATOM 0 HB2 TYR B 28 -1.445 -3.191 0.346 1.00 0.00 H new ATOM 0 HB3 TYR B 28 -1.919 -3.025 -1.333 1.00 0.00 H new ATOM 0 HD1 TYR B 28 -1.847 -5.368 1.553 1.00 0.00 H new ATOM 0 HD2 TYR B 28 -3.449 -4.585 -2.362 1.00 0.00 H new ATOM 0 HE1 TYR B 28 -3.439 -7.254 1.832 1.00 0.00 H new ATOM 0 HE2 TYR B 28 -5.097 -6.418 -2.053 1.00 0.00 H new ATOM 0 HH TYR B 28 -5.828 -8.050 -0.735 1.00 0.00 H new ATOM 405 N CYS B 29 -0.354 -3.499 -3.343 1.00 0.00 N ATOM 406 CA CYS B 29 -0.594 -3.582 -4.776 1.00 0.00 C ATOM 407 C CYS B 29 0.388 -2.713 -5.567 1.00 0.00 C ATOM 408 O CYS B 29 0.564 -2.947 -6.761 1.00 0.00 O ATOM 409 CB CYS B 29 -2.054 -3.225 -5.086 1.00 0.00 C ATOM 410 SG CYS B 29 -2.456 -1.466 -5.261 1.00 0.00 S ATOM 0 H CYS B 29 -0.369 -2.537 -3.003 1.00 0.00 H new ATOM 0 HA CYS B 29 -0.420 -4.610 -5.095 1.00 0.00 H new ATOM 0 HB2 CYS B 29 -2.337 -3.730 -6.010 1.00 0.00 H new ATOM 0 HB3 CYS B 29 -2.678 -3.637 -4.293 1.00 0.00 H new ATOM 415 N LYS B 30 1.047 -1.744 -4.911 1.00 0.00 N ATOM 416 CA LYS B 30 2.117 -0.949 -5.497 1.00 0.00 C ATOM 417 C LYS B 30 1.609 0.013 -6.572 1.00 0.00 C ATOM 418 O LYS B 30 2.294 0.276 -7.559 1.00 0.00 O ATOM 419 CB LYS B 30 3.307 -1.818 -5.948 1.00 0.00 C ATOM 420 CG LYS B 30 4.089 -2.496 -4.810 1.00 0.00 C ATOM 421 CD LYS B 30 3.419 -3.674 -4.084 1.00 0.00 C ATOM 422 CE LYS B 30 3.192 -4.887 -4.990 1.00 0.00 C ATOM 423 NZ LYS B 30 2.601 -6.007 -4.237 1.00 0.00 N ATOM 0 H LYS B 30 0.841 -1.494 -3.944 1.00 0.00 H new ATOM 0 HA LYS B 30 2.510 -0.309 -4.707 1.00 0.00 H new ATOM 0 HB2 LYS B 30 2.938 -2.589 -6.624 1.00 0.00 H new ATOM 0 HB3 LYS B 30 3.995 -1.196 -6.520 1.00 0.00 H new ATOM 0 HG2 LYS B 30 5.036 -2.849 -5.218 1.00 0.00 H new ATOM 0 HG3 LYS B 30 4.326 -1.735 -4.066 1.00 0.00 H new ATOM 0 HD2 LYS B 30 4.038 -3.971 -3.238 1.00 0.00 H new ATOM 0 HD3 LYS B 30 2.462 -3.346 -3.679 1.00 0.00 H new ATOM 0 HE2 LYS B 30 2.534 -4.611 -5.814 1.00 0.00 H new ATOM 0 HE3 LYS B 30 4.139 -5.199 -5.429 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 2.473 -6.822 -4.870 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 3.234 -6.272 -3.455 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 1.678 -5.719 -3.853 1.00 0.00 H new ATOM 437 N GLU B 31 0.421 0.584 -6.340 1.00 0.00 N ATOM 438 CA GLU B 31 -0.093 1.693 -7.118 1.00 0.00 C ATOM 439 C GLU B 31 0.611 2.967 -6.628 1.00 0.00 C ATOM 440 O GLU B 31 1.241 2.982 -5.568 1.00 0.00 O ATOM 441 CB GLU B 31 -1.621 1.731 -7.000 1.00 0.00 C ATOM 442 CG GLU B 31 -2.291 2.628 -8.053 1.00 0.00 C ATOM 443 CD GLU B 31 -2.439 4.082 -7.619 1.00 0.00 C ATOM 444 OE1 GLU B 31 -2.838 4.315 -6.458 1.00 0.00 O ATOM 445 OE2 GLU B 31 -2.118 4.950 -8.460 1.00 0.00 O ATOM 0 H GLU B 31 -0.208 0.279 -5.598 1.00 0.00 H new ATOM 0 HA GLU B 31 0.117 1.592 -8.183 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -2.011 0.718 -7.095 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -1.893 2.085 -6.006 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -1.707 2.591 -8.973 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -3.277 2.226 -8.285 1.00 0.00 H new ATOM 452 N LYS B 32 0.536 4.020 -7.440 1.00 0.00 N ATOM 453 CA LYS B 32 1.291 5.247 -7.303 1.00 0.00 C ATOM 454 C LYS B 32 0.624 6.211 -6.321 1.00 0.00 C ATOM 455 O LYS B 32 1.273 6.728 -5.413 1.00 0.00 O ATOM 456 CB LYS B 32 1.392 5.891 -8.693 1.00 0.00 C ATOM 457 CG LYS B 32 2.023 4.966 -9.751 1.00 0.00 C ATOM 458 CD LYS B 32 1.026 4.146 -10.593 1.00 0.00 C ATOM 459 CE LYS B 32 0.133 5.028 -11.480 1.00 0.00 C ATOM 460 NZ LYS B 32 -1.280 4.983 -11.064 1.00 0.00 N ATOM 0 H LYS B 32 -0.086 4.033 -8.248 1.00 0.00 H new ATOM 0 HA LYS B 32 2.281 5.023 -6.906 1.00 0.00 H new ATOM 0 HB2 LYS B 32 0.395 6.182 -9.024 1.00 0.00 H new ATOM 0 HB3 LYS B 32 1.983 6.804 -8.620 1.00 0.00 H new ATOM 0 HG2 LYS B 32 2.628 5.573 -10.425 1.00 0.00 H new ATOM 0 HG3 LYS B 32 2.701 4.276 -9.248 1.00 0.00 H new ATOM 0 HD2 LYS B 32 1.577 3.446 -11.221 1.00 0.00 H new ATOM 0 HD3 LYS B 32 0.398 3.552 -9.929 1.00 0.00 H new ATOM 0 HE2 LYS B 32 0.489 6.058 -11.442 1.00 0.00 H new ATOM 0 HE3 LYS B 32 0.216 4.700 -12.516 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -1.798 5.767 -11.509 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -1.700 4.079 -11.359 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -1.340 5.071 -10.030 1.00 0.00 H new ATOM 474 N GLY B 33 -0.664 6.479 -6.548 1.00 0.00 N ATOM 475 CA GLY B 33 -1.433 7.513 -5.882 1.00 0.00 C ATOM 476 C GLY B 33 -1.626 7.255 -4.395 1.00 0.00 C ATOM 477 O GLY B 33 -1.384 8.148 -3.584 1.00 0.00 O ATOM 0 H GLY B 33 -1.214 5.956 -7.229 1.00 0.00 H new ATOM 0 HA2 GLY B 33 -0.932 8.472 -6.015 1.00 0.00 H new ATOM 0 HA3 GLY B 33 -2.409 7.594 -6.359 1.00 0.00 H new ATOM 481 N HIS B 34 -2.089 6.051 -4.049 1.00 0.00 N ATOM 482 CA HIS B 34 -2.450 5.708 -2.677 1.00 0.00 C ATOM 483 C HIS B 34 -1.335 4.877 -2.031 1.00 0.00 C ATOM 484 O HIS B 34 -0.259 4.716 -2.606 1.00 0.00 O ATOM 485 CB HIS B 34 -3.831 5.033 -2.650 1.00 0.00 C ATOM 486 CG HIS B 34 -3.845 3.642 -3.224 1.00 0.00 C ATOM 487 ND1 HIS B 34 -4.534 3.255 -4.350 1.00 0.00 N ATOM 488 CD2 HIS B 34 -3.230 2.497 -2.813 1.00 0.00 C ATOM 489 CE1 HIS B 34 -4.251 1.952 -4.530 1.00 0.00 C ATOM 490 NE2 HIS B 34 -3.494 1.378 -3.579 1.00 0.00 N ATOM 0 H HIS B 34 -2.223 5.289 -4.714 1.00 0.00 H new ATOM 0 HA HIS B 34 -2.542 6.610 -2.071 1.00 0.00 H new ATOM 0 HB2 HIS B 34 -4.184 4.993 -1.620 1.00 0.00 H new ATOM 0 HB3 HIS B 34 -4.537 5.651 -3.205 1.00 0.00 H new ATOM 0 HD1 HIS B 34 -5.137 3.838 -4.931 1.00 0.00 H new ATOM 0 HD2 HIS B 34 -2.582 2.467 -1.949 1.00 0.00 H new ATOM 0 HE1 HIS B 34 -4.610 1.401 -5.386 1.00 0.00 H new ATOM 498 N TRP B 35 -1.601 4.352 -0.829 1.00 0.00 N ATOM 499 CA TRP B 35 -0.662 3.555 -0.053 1.00 0.00 C ATOM 500 C TRP B 35 -1.349 2.308 0.511 1.00 0.00 C ATOM 501 O TRP B 35 -2.570 2.198 0.427 1.00 0.00 O ATOM 502 CB TRP B 35 -0.094 4.463 1.035 1.00 0.00 C ATOM 503 CG TRP B 35 1.368 4.372 1.310 1.00 0.00 C ATOM 504 CD1 TRP B 35 2.359 4.049 0.447 1.00 0.00 C ATOM 505 CD2 TRP B 35 2.018 4.659 2.568 1.00 0.00 C ATOM 506 NE1 TRP B 35 3.576 4.090 1.094 1.00 0.00 N ATOM 507 CE2 TRP B 35 3.418 4.464 2.411 1.00 0.00 C ATOM 508 CE3 TRP B 35 1.554 5.100 3.820 1.00 0.00 C ATOM 509 CZ2 TRP B 35 4.313 4.651 3.468 1.00 0.00 C ATOM 510 CZ3 TRP B 35 2.438 5.290 4.886 1.00 0.00 C ATOM 511 CH2 TRP B 35 3.811 5.043 4.718 1.00 0.00 C ATOM 0 H TRP B 35 -2.500 4.477 -0.363 1.00 0.00 H new ATOM 0 HA TRP B 35 0.154 3.184 -0.673 1.00 0.00 H new ATOM 0 HB2 TRP B 35 -0.323 5.494 0.766 1.00 0.00 H new ATOM 0 HB3 TRP B 35 -0.625 4.250 1.963 1.00 0.00 H new ATOM 0 HD1 TRP B 35 2.218 3.797 -0.594 1.00 0.00 H new ATOM 0 HE1 TRP B 35 4.472 3.873 0.657 1.00 0.00 H new ATOM 0 HE3 TRP B 35 0.501 5.294 3.960 1.00 0.00 H new ATOM 0 HZ2 TRP B 35 5.372 4.496 3.325 1.00 0.00 H new ATOM 0 HZ3 TRP B 35 2.065 5.628 5.842 1.00 0.00 H new ATOM 0 HH2 TRP B 35 4.483 5.156 5.556 1.00 0.00 H new ATOM 522 N ALA B 36 -0.595 1.373 1.109 1.00 0.00 N ATOM 523 CA ALA B 36 -1.191 0.170 1.699 1.00 0.00 C ATOM 524 C ALA B 36 -2.073 0.541 2.878 1.00 0.00 C ATOM 525 O ALA B 36 -2.970 -0.207 3.261 1.00 0.00 O ATOM 526 CB ALA B 36 -0.137 -0.839 2.139 1.00 0.00 C ATOM 0 H ALA B 36 0.420 1.428 1.195 1.00 0.00 H new ATOM 0 HA ALA B 36 -1.796 -0.301 0.924 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -0.627 -1.712 2.569 1.00 0.00 H new ATOM 0 HB2 ALA B 36 0.457 -1.144 1.277 1.00 0.00 H new ATOM 0 HB3 ALA B 36 0.514 -0.383 2.885 1.00 0.00 H new ATOM 532 N LYS B 37 -1.820 1.728 3.427 1.00 0.00 N ATOM 533 CA LYS B 37 -2.591 2.339 4.459 1.00 0.00 C ATOM 534 C LYS B 37 -4.028 2.613 3.988 1.00 0.00 C ATOM 535 O LYS B 37 -4.966 2.537 4.778 1.00 0.00 O ATOM 536 CB LYS B 37 -1.839 3.625 4.797 1.00 0.00 C ATOM 537 CG LYS B 37 -1.982 3.794 6.293 1.00 0.00 C ATOM 538 CD LYS B 37 -1.514 5.150 6.829 1.00 0.00 C ATOM 539 CE LYS B 37 -1.113 5.071 8.311 1.00 0.00 C ATOM 540 NZ LYS B 37 -1.909 4.094 9.080 1.00 0.00 N ATOM 0 H LYS B 37 -1.028 2.302 3.136 1.00 0.00 H new ATOM 0 HA LYS B 37 -2.697 1.699 5.335 1.00 0.00 H new ATOM 0 HB2 LYS B 37 -0.790 3.554 4.508 1.00 0.00 H new ATOM 0 HB3 LYS B 37 -2.259 4.478 4.264 1.00 0.00 H new ATOM 0 HG2 LYS B 37 -3.029 3.653 6.563 1.00 0.00 H new ATOM 0 HG3 LYS B 37 -1.416 3.006 6.790 1.00 0.00 H new ATOM 0 HD2 LYS B 37 -0.665 5.500 6.241 1.00 0.00 H new ATOM 0 HD3 LYS B 37 -2.311 5.884 6.707 1.00 0.00 H new ATOM 0 HE2 LYS B 37 -0.058 4.805 8.381 1.00 0.00 H new ATOM 0 HE3 LYS B 37 -1.224 6.056 8.763 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 -1.885 4.344 10.089 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 -2.893 4.106 8.743 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 -1.510 3.142 8.950 1.00 0.00 H new ATOM 554 N ASP B 38 -4.166 2.946 2.697 1.00 0.00 N ATOM 555 CA ASP B 38 -5.372 3.439 2.039 1.00 0.00 C ATOM 556 C ASP B 38 -5.798 2.571 0.838 1.00 0.00 C ATOM 557 O ASP B 38 -6.581 3.027 0.006 1.00 0.00 O ATOM 558 CB ASP B 38 -5.056 4.867 1.561 1.00 0.00 C ATOM 559 CG ASP B 38 -6.290 5.645 1.111 1.00 0.00 C ATOM 560 OD1 ASP B 38 -7.235 5.741 1.925 1.00 0.00 O ATOM 561 OD2 ASP B 38 -6.261 6.142 -0.036 1.00 0.00 O ATOM 0 H ASP B 38 -3.384 2.871 2.047 1.00 0.00 H new ATOM 0 HA ASP B 38 -6.204 3.409 2.743 1.00 0.00 H new ATOM 0 HB2 ASP B 38 -4.567 5.412 2.368 1.00 0.00 H new ATOM 0 HB3 ASP B 38 -4.347 4.817 0.735 1.00 0.00 H new ATOM 566 N CYS B 39 -5.289 1.338 0.698 1.00 0.00 N ATOM 567 CA CYS B 39 -5.487 0.568 -0.526 1.00 0.00 C ATOM 568 C CYS B 39 -6.966 0.198 -0.717 1.00 0.00 C ATOM 569 O CYS B 39 -7.596 -0.297 0.217 1.00 0.00 O ATOM 570 CB CYS B 39 -4.607 -0.681 -0.504 1.00 0.00 C ATOM 571 SG CYS B 39 -4.491 -1.626 -2.050 1.00 0.00 S ATOM 0 H CYS B 39 -4.742 0.861 1.415 1.00 0.00 H new ATOM 0 HA CYS B 39 -5.195 1.186 -1.375 1.00 0.00 H new ATOM 0 HB2 CYS B 39 -3.600 -0.382 -0.212 1.00 0.00 H new ATOM 0 HB3 CYS B 39 -4.981 -1.347 0.274 1.00 0.00 H new ATOM 576 N PRO B 40 -7.539 0.425 -1.911 1.00 0.00 N ATOM 577 CA PRO B 40 -8.906 0.075 -2.237 1.00 0.00 C ATOM 578 C PRO B 40 -9.032 -1.420 -2.552 1.00 0.00 C ATOM 579 O PRO B 40 -10.131 -1.967 -2.475 1.00 0.00 O ATOM 580 CB PRO B 40 -9.238 0.939 -3.443 1.00 0.00 C ATOM 581 CG PRO B 40 -7.922 0.988 -4.208 1.00 0.00 C ATOM 582 CD PRO B 40 -6.891 0.981 -3.083 1.00 0.00 C ATOM 0 HA PRO B 40 -9.594 0.252 -1.410 1.00 0.00 H new ATOM 0 HB2 PRO B 40 -10.037 0.503 -4.043 1.00 0.00 H new ATOM 0 HB3 PRO B 40 -9.569 1.934 -3.147 1.00 0.00 H new ATOM 0 HG2 PRO B 40 -7.805 0.131 -4.872 1.00 0.00 H new ATOM 0 HG3 PRO B 40 -7.844 1.883 -4.826 1.00 0.00 H new ATOM 0 HD2 PRO B 40 -6.022 0.385 -3.361 1.00 0.00 H new ATOM 0 HD3 PRO B 40 -6.534 1.991 -2.882 1.00 0.00 H new ATOM 590 N LYS B 41 -7.911 -2.070 -2.900 1.00 0.00 N ATOM 591 CA LYS B 41 -7.835 -3.508 -3.135 1.00 0.00 C ATOM 592 C LYS B 41 -7.988 -4.283 -1.823 1.00 0.00 C ATOM 593 O LYS B 41 -8.472 -5.413 -1.824 1.00 0.00 O ATOM 594 CB LYS B 41 -6.493 -3.900 -3.778 1.00 0.00 C ATOM 595 CG LYS B 41 -5.975 -2.991 -4.902 1.00 0.00 C ATOM 596 CD LYS B 41 -6.829 -3.061 -6.167 1.00 0.00 C ATOM 597 CE LYS B 41 -6.228 -2.140 -7.234 1.00 0.00 C ATOM 598 NZ LYS B 41 -6.995 -2.197 -8.489 1.00 0.00 N ATOM 0 H LYS B 41 -7.017 -1.595 -3.027 1.00 0.00 H new ATOM 0 HA LYS B 41 -8.649 -3.762 -3.813 1.00 0.00 H new ATOM 0 HB2 LYS B 41 -5.737 -3.935 -2.993 1.00 0.00 H new ATOM 0 HB3 LYS B 41 -6.588 -4.911 -4.175 1.00 0.00 H new ATOM 0 HG2 LYS B 41 -5.947 -1.961 -4.545 1.00 0.00 H new ATOM 0 HG3 LYS B 41 -4.950 -3.272 -5.146 1.00 0.00 H new ATOM 0 HD2 LYS B 41 -6.870 -4.086 -6.536 1.00 0.00 H new ATOM 0 HD3 LYS B 41 -7.853 -2.761 -5.946 1.00 0.00 H new ATOM 0 HE2 LYS B 41 -6.210 -1.115 -6.863 1.00 0.00 H new ATOM 0 HE3 LYS B 41 -5.194 -2.428 -7.425 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 -6.562 -1.562 -9.190 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 -6.991 -3.171 -8.854 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 -7.975 -1.898 -8.311 1.00 0.00 H new ATOM 612 N LYS B 42 -7.530 -3.689 -0.714 1.00 0.00 N ATOM 613 CA LYS B 42 -7.417 -4.324 0.582 1.00 0.00 C ATOM 614 C LYS B 42 -8.804 -4.644 1.154 1.00 0.00 C ATOM 615 O LYS B 42 -9.755 -3.919 0.865 1.00 0.00 O ATOM 616 CB LYS B 42 -6.663 -3.358 1.513 1.00 0.00 C ATOM 617 CG LYS B 42 -5.319 -3.928 1.966 1.00 0.00 C ATOM 618 CD LYS B 42 -4.533 -2.945 2.843 1.00 0.00 C ATOM 619 CE LYS B 42 -4.972 -2.940 4.313 1.00 0.00 C ATOM 620 NZ LYS B 42 -4.759 -4.247 4.961 1.00 0.00 N ATOM 0 H LYS B 42 -7.220 -2.717 -0.706 1.00 0.00 H new ATOM 0 HA LYS B 42 -6.876 -5.266 0.491 1.00 0.00 H new ATOM 0 HB2 LYS B 42 -6.500 -2.412 0.997 1.00 0.00 H new ATOM 0 HB3 LYS B 42 -7.278 -3.143 2.387 1.00 0.00 H new ATOM 0 HG2 LYS B 42 -5.487 -4.851 2.521 1.00 0.00 H new ATOM 0 HG3 LYS B 42 -4.723 -4.186 1.091 1.00 0.00 H new ATOM 0 HD2 LYS B 42 -3.473 -3.193 2.791 1.00 0.00 H new ATOM 0 HD3 LYS B 42 -4.645 -1.940 2.436 1.00 0.00 H new ATOM 0 HE2 LYS B 42 -4.417 -2.173 4.854 1.00 0.00 H new ATOM 0 HE3 LYS B 42 -6.027 -2.673 4.375 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 -4.672 -4.115 5.989 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 -5.567 -4.870 4.759 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 -3.888 -4.679 4.593 1.00 0.00 H new ATOM 634 N PRO B 43 -8.923 -5.697 1.983 1.00 0.00 N ATOM 635 CA PRO B 43 -10.110 -5.993 2.775 1.00 0.00 C ATOM 636 C PRO B 43 -10.667 -4.730 3.439 1.00 0.00 C ATOM 637 O PRO B 43 -9.929 -3.999 4.098 1.00 0.00 O ATOM 638 CB PRO B 43 -9.652 -7.020 3.812 1.00 0.00 C ATOM 639 CG PRO B 43 -8.564 -7.788 3.066 1.00 0.00 C ATOM 640 CD PRO B 43 -7.904 -6.710 2.205 1.00 0.00 C ATOM 0 HA PRO B 43 -10.923 -6.379 2.160 1.00 0.00 H new ATOM 0 HB2 PRO B 43 -9.265 -6.542 4.712 1.00 0.00 H new ATOM 0 HB3 PRO B 43 -10.468 -7.673 4.123 1.00 0.00 H new ATOM 0 HG2 PRO B 43 -7.852 -8.247 3.752 1.00 0.00 H new ATOM 0 HG3 PRO B 43 -8.982 -8.590 2.457 1.00 0.00 H new ATOM 0 HD2 PRO B 43 -7.035 -6.286 2.708 1.00 0.00 H new ATOM 0 HD3 PRO B 43 -7.554 -7.125 1.260 1.00 0.00 H new ATOM 648 N ARG B 44 -11.958 -4.459 3.221 1.00 0.00 N ATOM 649 CA ARG B 44 -12.601 -3.205 3.586 1.00 0.00 C ATOM 650 C ARG B 44 -14.111 -3.417 3.702 1.00 0.00 C ATOM 651 O ARG B 44 -14.659 -4.334 3.092 1.00 0.00 O ATOM 652 CB ARG B 44 -12.255 -2.132 2.539 1.00 0.00 C ATOM 653 CG ARG B 44 -12.759 -2.503 1.135 1.00 0.00 C ATOM 654 CD ARG B 44 -12.103 -1.665 0.034 1.00 0.00 C ATOM 655 NE ARG B 44 -12.458 -0.243 0.130 1.00 0.00 N ATOM 656 CZ ARG B 44 -12.508 0.612 -0.906 1.00 0.00 C ATOM 657 NH1 ARG B 44 -12.176 0.219 -2.144 1.00 0.00 N ATOM 658 NH2 ARG B 44 -12.895 1.878 -0.697 1.00 0.00 N ATOM 0 H ARG B 44 -12.593 -5.122 2.777 1.00 0.00 H new ATOM 0 HA ARG B 44 -12.238 -2.862 4.555 1.00 0.00 H new ATOM 0 HB2 ARG B 44 -12.692 -1.180 2.840 1.00 0.00 H new ATOM 0 HB3 ARG B 44 -11.175 -1.991 2.509 1.00 0.00 H new ATOM 0 HG2 ARG B 44 -12.562 -3.559 0.949 1.00 0.00 H new ATOM 0 HG3 ARG B 44 -13.840 -2.369 1.094 1.00 0.00 H new ATOM 0 HD2 ARG B 44 -11.020 -1.772 0.096 1.00 0.00 H new ATOM 0 HD3 ARG B 44 -12.406 -2.048 -0.940 1.00 0.00 H new ATOM 0 HE ARG B 44 -12.684 0.124 1.054 1.00 0.00 H new ATOM 0 HH11 ARG B 44 -11.880 -0.742 -2.312 1.00 0.00 H new ATOM 0 HH12 ARG B 44 -12.220 0.881 -2.918 1.00 0.00 H new ATOM 0 HH21 ARG B 44 -13.148 2.185 0.242 1.00 0.00 H new ATOM 0 HH22 ARG B 44 -12.936 2.534 -1.477 1.00 0.00 H new ATOM 672 N GLY B 45 -14.780 -2.571 4.493 1.00 0.00 N ATOM 673 CA GLY B 45 -16.209 -2.672 4.738 1.00 0.00 C ATOM 674 C GLY B 45 -16.661 -1.612 5.745 1.00 0.00 C ATOM 675 O GLY B 45 -15.839 -0.824 6.218 1.00 0.00 O ATOM 0 H GLY B 45 -14.335 -1.794 4.981 1.00 0.00 H new ATOM 0 HA2 GLY B 45 -16.753 -2.547 3.802 1.00 0.00 H new ATOM 0 HA3 GLY B 45 -16.449 -3.666 5.116 1.00 0.00 H new ATOM 679 N PRO B 46 -17.961 -1.580 6.079 1.00 0.00 N ATOM 680 CA PRO B 46 -18.524 -0.644 7.039 1.00 0.00 C ATOM 681 C PRO B 46 -18.047 -0.984 8.453 1.00 0.00 C ATOM 682 O PRO B 46 -17.800 -2.147 8.770 1.00 0.00 O ATOM 683 CB PRO B 46 -20.042 -0.788 6.903 1.00 0.00 C ATOM 684 CG PRO B 46 -20.212 -2.241 6.458 1.00 0.00 C ATOM 685 CD PRO B 46 -18.991 -2.470 5.567 1.00 0.00 C ATOM 0 HA PRO B 46 -18.211 0.383 6.852 1.00 0.00 H new ATOM 0 HB2 PRO B 46 -20.552 -0.593 7.846 1.00 0.00 H new ATOM 0 HB3 PRO B 46 -20.449 -0.091 6.170 1.00 0.00 H new ATOM 0 HG2 PRO B 46 -20.227 -2.925 7.307 1.00 0.00 H new ATOM 0 HG3 PRO B 46 -21.144 -2.390 5.913 1.00 0.00 H new ATOM 0 HD2 PRO B 46 -18.666 -3.510 5.607 1.00 0.00 H new ATOM 0 HD3 PRO B 46 -19.219 -2.247 4.525 1.00 0.00 H new ATOM 693 N ARG B 47 -17.909 0.044 9.298 1.00 0.00 N ATOM 694 CA ARG B 47 -17.441 -0.099 10.668 1.00 0.00 C ATOM 695 C ARG B 47 -18.618 -0.560 11.531 1.00 0.00 C ATOM 696 O ARG B 47 -19.245 0.241 12.223 1.00 0.00 O ATOM 697 CB ARG B 47 -16.828 1.221 11.162 1.00 0.00 C ATOM 698 CG ARG B 47 -15.397 1.462 10.648 1.00 0.00 C ATOM 699 CD ARG B 47 -15.262 1.591 9.125 1.00 0.00 C ATOM 700 NE ARG B 47 -16.090 2.686 8.600 1.00 0.00 N ATOM 701 CZ ARG B 47 -16.386 2.890 7.305 1.00 0.00 C ATOM 702 NH1 ARG B 47 -15.993 2.029 6.357 1.00 0.00 N ATOM 703 NH2 ARG B 47 -17.089 3.976 6.956 1.00 0.00 N ATOM 0 H ARG B 47 -18.124 1.007 9.040 1.00 0.00 H new ATOM 0 HA ARG B 47 -16.651 -0.848 10.732 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -17.463 2.048 10.846 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -16.820 1.223 12.252 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -15.011 2.371 11.109 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -14.764 0.641 10.984 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -14.218 1.766 8.865 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -15.555 0.654 8.652 1.00 0.00 H new ATOM 0 HE ARG B 47 -16.472 3.347 9.276 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -15.458 1.199 6.612 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -16.229 2.204 5.380 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -17.394 4.638 7.670 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -17.319 4.141 5.976 1.00 0.00 H new ATOM 717 N GLY B 48 -18.917 -1.862 11.455 1.00 0.00 N ATOM 718 CA GLY B 48 -20.061 -2.498 12.088 1.00 0.00 C ATOM 719 C GLY B 48 -21.160 -2.764 11.055 1.00 0.00 C ATOM 720 O GLY B 48 -21.029 -2.367 9.897 1.00 0.00 O ATOM 0 H GLY B 48 -18.342 -2.520 10.929 1.00 0.00 H new ATOM 0 HA2 GLY B 48 -19.754 -3.435 12.552 1.00 0.00 H new ATOM 0 HA3 GLY B 48 -20.447 -1.860 12.883 1.00 0.00 H new ATOM 724 N PRO B 49 -22.259 -3.421 11.460 1.00 0.00 N ATOM 725 CA PRO B 49 -23.375 -3.765 10.597 1.00 0.00 C ATOM 726 C PRO B 49 -24.330 -2.572 10.600 1.00 0.00 C ATOM 727 O PRO B 49 -25.500 -2.695 10.961 1.00 0.00 O ATOM 728 CB PRO B 49 -23.980 -5.000 11.269 1.00 0.00 C ATOM 729 CG PRO B 49 -23.822 -4.679 12.758 1.00 0.00 C ATOM 730 CD PRO B 49 -22.528 -3.859 12.818 1.00 0.00 C ATOM 0 HA PRO B 49 -23.122 -3.976 9.558 1.00 0.00 H new ATOM 0 HB2 PRO B 49 -25.025 -5.141 10.993 1.00 0.00 H new ATOM 0 HB3 PRO B 49 -23.451 -5.912 10.992 1.00 0.00 H new ATOM 0 HG2 PRO B 49 -24.673 -4.113 13.138 1.00 0.00 H new ATOM 0 HG3 PRO B 49 -23.749 -5.586 13.358 1.00 0.00 H new ATOM 0 HD2 PRO B 49 -22.639 -3.006 13.487 1.00 0.00 H new ATOM 0 HD3 PRO B 49 -21.704 -4.460 13.203 1.00 0.00 H new ATOM 738 N ARG B 50 -23.805 -1.396 10.242 1.00 0.00 N ATOM 739 CA ARG B 50 -24.520 -0.150 10.427 1.00 0.00 C ATOM 740 C ARG B 50 -25.695 -0.047 9.447 1.00 0.00 C ATOM 741 O ARG B 50 -25.550 -0.431 8.287 1.00 0.00 O ATOM 742 CB ARG B 50 -23.567 1.043 10.262 1.00 0.00 C ATOM 743 CG ARG B 50 -22.333 0.995 11.179 1.00 0.00 C ATOM 744 CD ARG B 50 -22.664 0.736 12.655 1.00 0.00 C ATOM 745 NE ARG B 50 -23.688 1.665 13.154 1.00 0.00 N ATOM 746 CZ ARG B 50 -24.402 1.498 14.280 1.00 0.00 C ATOM 747 NH1 ARG B 50 -24.184 0.446 15.082 1.00 0.00 N ATOM 748 NH2 ARG B 50 -25.343 2.395 14.603 1.00 0.00 N ATOM 0 H ARG B 50 -22.882 -1.291 9.821 1.00 0.00 H new ATOM 0 HA ARG B 50 -24.923 -0.131 11.440 1.00 0.00 H new ATOM 0 HB2 ARG B 50 -23.234 1.087 9.225 1.00 0.00 H new ATOM 0 HB3 ARG B 50 -24.117 1.963 10.459 1.00 0.00 H new ATOM 0 HG2 ARG B 50 -21.660 0.214 10.825 1.00 0.00 H new ATOM 0 HG3 ARG B 50 -21.795 1.940 11.098 1.00 0.00 H new ATOM 0 HD2 ARG B 50 -23.014 -0.289 12.775 1.00 0.00 H new ATOM 0 HD3 ARG B 50 -21.759 0.836 13.254 1.00 0.00 H new ATOM 0 HE ARG B 50 -23.871 2.503 12.602 1.00 0.00 H new ATOM 0 HH11 ARG B 50 -23.469 -0.240 14.840 1.00 0.00 H new ATOM 0 HH12 ARG B 50 -24.733 0.332 15.934 1.00 0.00 H new ATOM 0 HH21 ARG B 50 -25.513 3.197 13.996 1.00 0.00 H new ATOM 0 HH22 ARG B 50 -25.890 2.276 15.456 1.00 0.00 H new ATOM 762 N PRO B 51 -26.855 0.469 9.888 1.00 0.00 N ATOM 763 CA PRO B 51 -28.025 0.632 9.041 1.00 0.00 C ATOM 764 C PRO B 51 -27.811 1.775 8.046 1.00 0.00 C ATOM 765 O PRO B 51 -27.004 2.673 8.284 1.00 0.00 O ATOM 766 CB PRO B 51 -29.176 0.935 10.003 1.00 0.00 C ATOM 767 CG PRO B 51 -28.477 1.666 11.148 1.00 0.00 C ATOM 768 CD PRO B 51 -27.127 0.953 11.232 1.00 0.00 C ATOM 0 HA PRO B 51 -28.230 -0.256 8.443 1.00 0.00 H new ATOM 0 HB2 PRO B 51 -29.942 1.554 9.535 1.00 0.00 H new ATOM 0 HB3 PRO B 51 -29.668 0.024 10.345 1.00 0.00 H new ATOM 0 HG2 PRO B 51 -28.360 2.729 10.938 1.00 0.00 H new ATOM 0 HG3 PRO B 51 -29.036 1.585 12.080 1.00 0.00 H new ATOM 0 HD2 PRO B 51 -26.345 1.633 11.569 1.00 0.00 H new ATOM 0 HD3 PRO B 51 -27.163 0.130 11.945 1.00 0.00 H new ATOM 776 N GLN B 52 -28.545 1.732 6.928 1.00 0.00 N ATOM 777 CA GLN B 52 -28.493 2.743 5.884 1.00 0.00 C ATOM 778 C GLN B 52 -29.842 2.752 5.163 1.00 0.00 C ATOM 779 O GLN B 52 -29.991 2.157 4.098 1.00 0.00 O ATOM 780 CB GLN B 52 -27.306 2.452 4.947 1.00 0.00 C ATOM 781 CG GLN B 52 -27.104 3.531 3.873 1.00 0.00 C ATOM 782 CD GLN B 52 -26.879 4.917 4.472 1.00 0.00 C ATOM 783 OE1 GLN B 52 -27.694 5.818 4.284 1.00 0.00 O ATOM 784 NE2 GLN B 52 -25.774 5.094 5.199 1.00 0.00 N ATOM 0 H GLN B 52 -29.201 0.977 6.727 1.00 0.00 H new ATOM 0 HA GLN B 52 -28.326 3.739 6.294 1.00 0.00 H new ATOM 0 HB2 GLN B 52 -26.396 2.365 5.541 1.00 0.00 H new ATOM 0 HB3 GLN B 52 -27.463 1.489 4.461 1.00 0.00 H new ATOM 0 HG2 GLN B 52 -26.250 3.264 3.251 1.00 0.00 H new ATOM 0 HG3 GLN B 52 -27.977 3.558 3.221 1.00 0.00 H new ATOM 0 HE21 GLN B 52 -25.122 4.321 5.332 1.00 0.00 H new ATOM 0 HE22 GLN B 52 -25.582 6.002 5.622 1.00 0.00 H new ATOM 793 N THR B 53 -30.829 3.412 5.777 1.00 0.00 N ATOM 794 CA THR B 53 -32.195 3.507 5.284 1.00 0.00 C ATOM 795 C THR B 53 -32.886 4.683 5.980 1.00 0.00 C ATOM 796 O THR B 53 -32.539 4.935 7.156 1.00 0.00 O ATOM 797 CB THR B 53 -32.934 2.171 5.497 1.00 0.00 C ATOM 798 OG1 THR B 53 -34.227 2.234 4.932 1.00 0.00 O ATOM 799 CG2 THR B 53 -33.047 1.773 6.974 1.00 0.00 C ATOM 800 OXT THR B 53 -33.735 5.322 5.321 1.00 0.00 O ATOM 0 H THR B 53 -30.689 3.908 6.657 1.00 0.00 H new ATOM 0 HA THR B 53 -32.204 3.696 4.211 1.00 0.00 H new ATOM 0 HB THR B 53 -32.337 1.407 4.999 1.00 0.00 H new ATOM 0 HG1 THR B 53 -34.687 1.380 5.072 1.00 0.00 H new ATOM 0 HG21 THR B 53 -33.577 0.824 7.056 1.00 0.00 H new ATOM 0 HG22 THR B 53 -32.049 1.669 7.400 1.00 0.00 H new ATOM 0 HG23 THR B 53 -33.595 2.543 7.517 1.00 0.00 H new TER 808 THR B 53 HETATM 809 ZN ZN B 55 -2.869 -0.509 -3.238 1.00 0.00 ZN