USER MOD reduce.3.24.130724 H: found=0, std=0, add=378, rem=0, adj=8 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 Set 1.1: B 19 SER OG : rot 120:sc= 1.07 USER MOD Set 1.2: B 20 GLN : amide:sc= -1.06 K(o=0.73,f=-0.34) USER MOD Set 1.3: B 30 LYS NZ :NH3+ -153:sc= 0.716 (180deg=-0.0054) USER MOD Single : A 1 DA O5' : rot 59:sc= 1.21 USER MOD Single : A 5 DC O3' : rot 180:sc= 0 USER MOD Single : B 25 GLN : amide:sc= -0.426 X(o=-0.43,f=0) USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 LYS NZ :NH3+ -170:sc= 1.06 (180deg=0.958) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 LYS NZ :NH3+ -171:sc= 1.41 (180deg=1.34) USER MOD Single : B 52 GLN : amide:sc= 1.34 K(o=1.3,f=-2.2!) USER MOD Single : B 53 THR OG1 : rot 37:sc= 0.246 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 -2.422 -6.188 2.028 1.00 0.00 O ATOM 2 C5' DA A 1 -1.099 -5.799 1.729 1.00 0.00 C ATOM 3 C4' DA A 1 -0.277 -5.716 3.008 1.00 0.00 C ATOM 4 O4' DA A 1 1.075 -6.055 2.749 1.00 0.00 O ATOM 5 C3' DA A 1 -0.268 -4.322 3.655 1.00 0.00 C ATOM 6 O3' DA A 1 -1.012 -4.252 4.860 1.00 0.00 O ATOM 7 C2' DA A 1 1.208 -4.156 3.975 1.00 0.00 C ATOM 8 C1' DA A 1 1.770 -5.541 3.855 1.00 0.00 C ATOM 9 N9 DA A 1 3.234 -5.473 3.709 1.00 0.00 N ATOM 10 C8 DA A 1 3.946 -5.244 2.570 1.00 0.00 C ATOM 11 N7 DA A 1 5.236 -5.173 2.738 1.00 0.00 N ATOM 12 C5 DA A 1 5.390 -5.367 4.107 1.00 0.00 C ATOM 13 C6 DA A 1 6.516 -5.375 4.958 1.00 0.00 C ATOM 14 N6 DA A 1 7.764 -5.188 4.512 1.00 0.00 N ATOM 15 N1 DA A 1 6.322 -5.576 6.276 1.00 0.00 N ATOM 16 C2 DA A 1 5.081 -5.749 6.728 1.00 0.00 C ATOM 17 N3 DA A 1 3.943 -5.757 6.037 1.00 0.00 N ATOM 18 C4 DA A 1 4.170 -5.553 4.711 1.00 0.00 C ATOM 0 H5' DA A 1 -1.101 -4.832 1.225 1.00 0.00 H new ATOM 0 H5'' DA A 1 -0.647 -6.515 1.043 1.00 0.00 H new ATOM 0 H4' DA A 1 -0.755 -6.415 3.694 1.00 0.00 H new ATOM 0 H3' DA A 1 -0.714 -3.566 3.009 1.00 0.00 H new ATOM 0 H2' DA A 1 1.691 -3.469 3.280 1.00 0.00 H new ATOM 0 H2'' DA A 1 1.355 -3.752 4.977 1.00 0.00 H new ATOM 0 HO5' DA A 1 -2.822 -5.540 2.645 1.00 0.00 H new ATOM 0 H1' DA A 1 1.637 -6.189 4.721 1.00 0.00 H new ATOM 0 H8 DA A 1 3.478 -5.130 1.604 1.00 0.00 H new ATOM 0 H61 DA A 1 8.547 -5.202 5.166 1.00 0.00 H new ATOM 0 H62 DA A 1 7.932 -5.031 3.518 1.00 0.00 H new ATOM 0 H2 DA A 1 4.986 -5.903 7.793 1.00 0.00 H new ATOM 31 P DC A 2 -2.506 -3.644 4.905 1.00 0.00 P ATOM 32 OP1 DC A 2 -3.023 -3.767 6.285 1.00 0.00 O ATOM 33 OP2 DC A 2 -3.269 -4.241 3.785 1.00 0.00 O ATOM 34 O5' DC A 2 -2.313 -2.072 4.572 1.00 0.00 O ATOM 35 C5' DC A 2 -2.011 -1.089 5.553 1.00 0.00 C ATOM 36 C4' DC A 2 -0.691 -1.341 6.296 1.00 0.00 C ATOM 37 O4' DC A 2 0.368 -1.702 5.431 1.00 0.00 O ATOM 38 C3' DC A 2 -0.113 -0.084 6.950 1.00 0.00 C ATOM 39 O3' DC A 2 -0.700 0.264 8.190 1.00 0.00 O ATOM 40 C2' DC A 2 1.368 -0.448 7.097 1.00 0.00 C ATOM 41 C1' DC A 2 1.519 -1.706 6.256 1.00 0.00 C ATOM 42 N1 DC A 2 2.822 -1.731 5.536 1.00 0.00 N ATOM 43 C2 DC A 2 3.926 -2.298 6.180 1.00 0.00 C ATOM 44 O2 DC A 2 3.844 -2.716 7.333 1.00 0.00 O ATOM 45 N3 DC A 2 5.105 -2.383 5.498 1.00 0.00 N ATOM 46 C4 DC A 2 5.218 -1.920 4.246 1.00 0.00 C ATOM 47 N4 DC A 2 6.391 -2.046 3.617 1.00 0.00 N ATOM 48 C5 DC A 2 4.109 -1.296 3.584 1.00 0.00 C ATOM 49 C6 DC A 2 2.944 -1.215 4.272 1.00 0.00 C ATOM 0 H5' DC A 2 -2.824 -1.051 6.278 1.00 0.00 H new ATOM 0 H5'' DC A 2 -1.966 -0.112 5.073 1.00 0.00 H new ATOM 0 H4' DC A 2 -0.975 -2.117 7.006 1.00 0.00 H new ATOM 0 H3' DC A 2 -0.304 0.808 6.353 1.00 0.00 H new ATOM 0 H2' DC A 2 2.014 0.353 6.738 1.00 0.00 H new ATOM 0 H2'' DC A 2 1.634 -0.629 8.138 1.00 0.00 H new ATOM 0 H1' DC A 2 1.561 -2.627 6.837 1.00 0.00 H new ATOM 0 H41 DC A 2 6.498 -1.700 2.663 1.00 0.00 H new ATOM 0 H42 DC A 2 7.179 -2.488 4.091 1.00 0.00 H new ATOM 0 H5 DC A 2 4.198 -0.907 2.580 1.00 0.00 H new ATOM 0 H6 DC A 2 2.093 -0.733 3.814 1.00 0.00 H new ATOM 61 P DG A 3 -0.468 1.733 8.830 1.00 0.00 P ATOM 62 OP1 DG A 3 -1.051 1.751 10.188 1.00 0.00 O ATOM 63 OP2 DG A 3 -0.912 2.733 7.831 1.00 0.00 O ATOM 64 O5' DG A 3 1.141 1.840 8.971 1.00 0.00 O ATOM 65 C5' DG A 3 1.807 3.090 9.026 1.00 0.00 C ATOM 66 C4' DG A 3 3.314 2.908 8.772 1.00 0.00 C ATOM 67 O4' DG A 3 3.483 2.030 7.663 1.00 0.00 O ATOM 68 C3' DG A 3 3.972 4.248 8.399 1.00 0.00 C ATOM 69 O3' DG A 3 5.327 4.312 8.845 1.00 0.00 O ATOM 70 C2' DG A 3 3.742 4.222 6.900 1.00 0.00 C ATOM 71 C1' DG A 3 3.895 2.757 6.522 1.00 0.00 C ATOM 72 N9 DG A 3 3.095 2.458 5.309 1.00 0.00 N ATOM 73 C8 DG A 3 1.731 2.478 5.154 1.00 0.00 C ATOM 74 N7 DG A 3 1.319 2.197 3.951 1.00 0.00 N ATOM 75 C5 DG A 3 2.495 1.987 3.240 1.00 0.00 C ATOM 76 C6 DG A 3 2.689 1.671 1.861 1.00 0.00 C ATOM 77 O6 DG A 3 1.834 1.487 1.001 1.00 0.00 O ATOM 78 N1 DG A 3 4.034 1.592 1.515 1.00 0.00 N ATOM 79 C2 DG A 3 5.077 1.730 2.413 1.00 0.00 C ATOM 80 N2 DG A 3 6.314 1.552 1.940 1.00 0.00 N ATOM 81 N3 DG A 3 4.898 2.012 3.715 1.00 0.00 N ATOM 82 C4 DG A 3 3.588 2.139 4.063 1.00 0.00 C ATOM 0 H5' DG A 3 1.649 3.550 10.001 1.00 0.00 H new ATOM 0 H5'' DG A 3 1.386 3.766 8.282 1.00 0.00 H new ATOM 0 H4' DG A 3 3.773 2.513 9.679 1.00 0.00 H new ATOM 0 H3' DG A 3 3.576 5.151 8.863 1.00 0.00 H new ATOM 0 H2' DG A 3 2.752 4.598 6.643 1.00 0.00 H new ATOM 0 H2'' DG A 3 4.466 4.846 6.376 1.00 0.00 H new ATOM 0 H1' DG A 3 4.918 2.485 6.261 1.00 0.00 H new ATOM 0 H8 DG A 3 1.055 2.708 5.964 1.00 0.00 H new ATOM 0 H1 DG A 3 4.266 1.421 0.536 1.00 0.00 H new ATOM 0 H21 DG A 3 7.116 1.643 2.563 1.00 0.00 H new ATOM 0 H22 DG A 3 6.456 1.325 0.956 1.00 0.00 H new ATOM 94 P DC A 4 6.621 4.829 7.987 1.00 0.00 P ATOM 95 OP1 DC A 4 6.955 3.763 7.015 1.00 0.00 O ATOM 96 OP2 DC A 4 7.645 5.219 8.980 1.00 0.00 O ATOM 97 O5' DC A 4 6.267 6.172 7.126 1.00 0.00 O ATOM 98 C5' DC A 4 7.323 6.920 6.527 1.00 0.00 C ATOM 99 C4' DC A 4 6.960 7.930 5.427 1.00 0.00 C ATOM 100 O4' DC A 4 6.245 7.396 4.321 1.00 0.00 O ATOM 101 C3' DC A 4 6.114 9.099 5.898 1.00 0.00 C ATOM 102 O3' DC A 4 6.875 10.115 6.523 1.00 0.00 O ATOM 103 C2' DC A 4 5.528 9.595 4.577 1.00 0.00 C ATOM 104 C1' DC A 4 5.886 8.521 3.536 1.00 0.00 C ATOM 105 N1 DC A 4 4.842 8.282 2.481 1.00 0.00 N ATOM 106 C2 DC A 4 5.277 8.018 1.176 1.00 0.00 C ATOM 107 O2 DC A 4 6.471 7.920 0.906 1.00 0.00 O ATOM 108 N3 DC A 4 4.348 7.859 0.192 1.00 0.00 N ATOM 109 C4 DC A 4 3.038 7.912 0.445 1.00 0.00 C ATOM 110 N4 DC A 4 2.181 7.724 -0.565 1.00 0.00 N ATOM 111 C5 DC A 4 2.556 8.139 1.776 1.00 0.00 C ATOM 112 C6 DC A 4 3.487 8.323 2.747 1.00 0.00 C ATOM 0 H5' DC A 4 8.037 6.212 6.107 1.00 0.00 H new ATOM 0 H5'' DC A 4 7.840 7.461 7.320 1.00 0.00 H new ATOM 0 H4' DC A 4 7.958 8.248 5.127 1.00 0.00 H new ATOM 0 H3' DC A 4 5.380 8.818 6.654 1.00 0.00 H new ATOM 0 H2' DC A 4 4.448 9.724 4.651 1.00 0.00 H new ATOM 0 H2'' DC A 4 5.947 10.563 4.301 1.00 0.00 H new ATOM 0 H1' DC A 4 6.708 8.831 2.891 1.00 0.00 H new ATOM 0 H41 DC A 4 1.176 7.760 -0.395 1.00 0.00 H new ATOM 0 H42 DC A 4 2.533 7.545 -1.505 1.00 0.00 H new ATOM 0 H5 DC A 4 1.499 8.163 1.997 1.00 0.00 H new ATOM 0 H6 DC A 4 3.158 8.507 3.759 1.00 0.00 H new ATOM 124 P DC A 5 6.360 10.851 7.865 1.00 0.00 P ATOM 125 OP1 DC A 5 7.161 12.081 8.052 1.00 0.00 O ATOM 126 OP2 DC A 5 6.308 9.841 8.944 1.00 0.00 O ATOM 127 O5' DC A 5 4.843 11.285 7.522 1.00 0.00 O ATOM 128 C5' DC A 5 4.542 12.329 6.616 1.00 0.00 C ATOM 129 C4' DC A 5 3.024 12.440 6.429 1.00 0.00 C ATOM 130 O4' DC A 5 2.452 11.188 6.069 1.00 0.00 O ATOM 131 C3' DC A 5 2.309 12.935 7.691 1.00 0.00 C ATOM 132 O3' DC A 5 1.957 14.298 7.600 1.00 0.00 O ATOM 133 C2' DC A 5 1.069 12.051 7.721 1.00 0.00 C ATOM 134 C1' DC A 5 1.577 10.748 7.098 1.00 0.00 C ATOM 135 N1 DC A 5 2.301 9.804 8.006 1.00 0.00 N ATOM 136 C2 DC A 5 2.687 8.574 7.461 1.00 0.00 C ATOM 137 O2 DC A 5 2.349 8.254 6.322 1.00 0.00 O ATOM 138 N3 DC A 5 3.445 7.727 8.214 1.00 0.00 N ATOM 139 C4 DC A 5 3.809 8.049 9.465 1.00 0.00 C ATOM 140 N4 DC A 5 4.607 7.220 10.145 1.00 0.00 N ATOM 141 C5 DC A 5 3.346 9.260 10.081 1.00 0.00 C ATOM 142 C6 DC A 5 2.605 10.097 9.318 1.00 0.00 C ATOM 0 H5' DC A 5 5.022 12.138 5.656 1.00 0.00 H new ATOM 0 H5'' DC A 5 4.941 13.272 6.990 1.00 0.00 H new ATOM 0 H4' DC A 5 2.884 13.167 5.629 1.00 0.00 H new ATOM 0 H3' DC A 5 2.926 12.870 8.588 1.00 0.00 H new ATOM 0 H2' DC A 5 0.703 11.900 8.736 1.00 0.00 H new ATOM 0 H2'' DC A 5 0.249 12.483 7.147 1.00 0.00 H new ATOM 0 HO3' DC A 5 1.502 14.574 8.423 1.00 0.00 H new ATOM 0 H1' DC A 5 0.720 10.157 6.775 1.00 0.00 H new ATOM 0 H41 DC A 5 4.892 7.452 11.097 1.00 0.00 H new ATOM 0 H42 DC A 5 4.931 6.355 9.712 1.00 0.00 H new ATOM 0 H5 DC A 5 3.579 9.493 11.109 1.00 0.00 H new ATOM 0 H6 DC A 5 2.242 11.019 9.749 1.00 0.00 H new TER 155 DC A 5 ATOM 156 N GLY B 14 20.247 -4.513 1.674 1.00 0.00 N ATOM 157 CA GLY B 14 19.928 -4.219 0.266 1.00 0.00 C ATOM 158 C GLY B 14 19.177 -5.382 -0.370 1.00 0.00 C ATOM 159 O GLY B 14 19.773 -6.197 -1.072 1.00 0.00 O ATOM 0 HA2 GLY B 14 19.324 -3.313 0.206 1.00 0.00 H new ATOM 0 HA3 GLY B 14 20.847 -4.027 -0.288 1.00 0.00 H new ATOM 165 N GLU B 15 17.872 -5.462 -0.084 1.00 0.00 N ATOM 166 CA GLU B 15 17.040 -6.611 -0.404 1.00 0.00 C ATOM 167 C GLU B 15 16.342 -6.417 -1.751 1.00 0.00 C ATOM 168 O GLU B 15 16.984 -6.579 -2.788 1.00 0.00 O ATOM 169 CB GLU B 15 16.091 -6.899 0.775 1.00 0.00 C ATOM 170 CG GLU B 15 16.785 -7.645 1.928 1.00 0.00 C ATOM 171 CD GLU B 15 18.105 -7.013 2.364 1.00 0.00 C ATOM 172 OE1 GLU B 15 18.061 -5.866 2.863 1.00 0.00 O ATOM 173 OE2 GLU B 15 19.147 -7.669 2.146 1.00 0.00 O ATOM 0 H GLU B 15 17.363 -4.713 0.385 1.00 0.00 H new ATOM 0 HA GLU B 15 17.652 -7.504 -0.532 1.00 0.00 H new ATOM 0 HB2 GLU B 15 15.686 -5.958 1.148 1.00 0.00 H new ATOM 0 HB3 GLU B 15 15.247 -7.491 0.421 1.00 0.00 H new ATOM 0 HG2 GLU B 15 16.110 -7.681 2.783 1.00 0.00 H new ATOM 0 HG3 GLU B 15 16.969 -8.675 1.623 1.00 0.00 H new ATOM 180 N ARG B 16 15.036 -6.114 -1.743 1.00 0.00 N ATOM 181 CA ARG B 16 14.179 -6.105 -2.927 1.00 0.00 C ATOM 182 C ARG B 16 14.346 -7.409 -3.719 1.00 0.00 C ATOM 183 O ARG B 16 14.507 -7.388 -4.938 1.00 0.00 O ATOM 184 CB ARG B 16 14.438 -4.862 -3.795 1.00 0.00 C ATOM 185 CG ARG B 16 14.374 -3.560 -2.987 1.00 0.00 C ATOM 186 CD ARG B 16 14.559 -2.328 -3.881 1.00 0.00 C ATOM 187 NE ARG B 16 13.331 -1.976 -4.610 1.00 0.00 N ATOM 188 CZ ARG B 16 13.027 -2.266 -5.885 1.00 0.00 C ATOM 189 NH1 ARG B 16 13.815 -3.059 -6.626 1.00 0.00 N ATOM 190 NH2 ARG B 16 11.916 -1.747 -6.425 1.00 0.00 N ATOM 0 H ARG B 16 14.538 -5.863 -0.889 1.00 0.00 H new ATOM 0 HA ARG B 16 13.140 -6.048 -2.602 1.00 0.00 H new ATOM 0 HB2 ARG B 16 15.418 -4.948 -4.264 1.00 0.00 H new ATOM 0 HB3 ARG B 16 13.703 -4.824 -4.599 1.00 0.00 H new ATOM 0 HG2 ARG B 16 13.414 -3.497 -2.474 1.00 0.00 H new ATOM 0 HG3 ARG B 16 15.146 -3.571 -2.218 1.00 0.00 H new ATOM 0 HD2 ARG B 16 14.870 -1.482 -3.269 1.00 0.00 H new ATOM 0 HD3 ARG B 16 15.361 -2.517 -4.595 1.00 0.00 H new ATOM 0 HE ARG B 16 12.630 -1.451 -4.087 1.00 0.00 H new ATOM 0 HH11 ARG B 16 14.664 -3.455 -6.223 1.00 0.00 H new ATOM 0 HH12 ARG B 16 13.565 -3.266 -7.593 1.00 0.00 H new ATOM 0 HH21 ARG B 16 11.314 -1.140 -5.868 1.00 0.00 H new ATOM 0 HH22 ARG B 16 11.672 -1.959 -7.393 1.00 0.00 H new ATOM 204 N ARG B 17 14.335 -8.545 -3.008 1.00 0.00 N ATOM 205 CA ARG B 17 14.632 -9.859 -3.566 1.00 0.00 C ATOM 206 C ARG B 17 13.558 -10.302 -4.564 1.00 0.00 C ATOM 207 O ARG B 17 13.859 -11.038 -5.502 1.00 0.00 O ATOM 208 CB ARG B 17 14.797 -10.891 -2.439 1.00 0.00 C ATOM 209 CG ARG B 17 15.831 -10.505 -1.368 1.00 0.00 C ATOM 210 CD ARG B 17 17.248 -10.327 -1.927 1.00 0.00 C ATOM 211 NE ARG B 17 18.193 -9.964 -0.862 1.00 0.00 N ATOM 212 CZ ARG B 17 19.462 -9.571 -1.064 1.00 0.00 C ATOM 213 NH1 ARG B 17 20.014 -9.648 -2.283 1.00 0.00 N ATOM 214 NH2 ARG B 17 20.179 -9.084 -0.042 1.00 0.00 N ATOM 0 H ARG B 17 14.115 -8.570 -2.012 1.00 0.00 H new ATOM 0 HA ARG B 17 15.572 -9.789 -4.113 1.00 0.00 H new ATOM 0 HB2 ARG B 17 13.831 -11.041 -1.956 1.00 0.00 H new ATOM 0 HB3 ARG B 17 15.086 -11.846 -2.877 1.00 0.00 H new ATOM 0 HG2 ARG B 17 15.518 -9.577 -0.889 1.00 0.00 H new ATOM 0 HG3 ARG B 17 15.847 -11.273 -0.595 1.00 0.00 H new ATOM 0 HD2 ARG B 17 17.572 -11.251 -2.406 1.00 0.00 H new ATOM 0 HD3 ARG B 17 17.245 -9.553 -2.695 1.00 0.00 H new ATOM 0 HE ARG B 17 17.861 -10.014 0.101 1.00 0.00 H new ATOM 0 HH11 ARG B 17 19.470 -10.007 -3.067 1.00 0.00 H new ATOM 0 HH12 ARG B 17 20.978 -9.347 -2.426 1.00 0.00 H new ATOM 0 HH21 ARG B 17 19.761 -9.013 0.886 1.00 0.00 H new ATOM 0 HH22 ARG B 17 21.143 -8.785 -0.192 1.00 0.00 H new ATOM 228 N ARG B 18 12.315 -9.843 -4.371 1.00 0.00 N ATOM 229 CA ARG B 18 11.218 -10.024 -5.308 1.00 0.00 C ATOM 230 C ARG B 18 10.320 -8.787 -5.272 1.00 0.00 C ATOM 231 O ARG B 18 10.372 -8.008 -4.320 1.00 0.00 O ATOM 232 CB ARG B 18 10.447 -11.314 -4.992 1.00 0.00 C ATOM 233 CG ARG B 18 9.846 -11.324 -3.578 1.00 0.00 C ATOM 234 CD ARG B 18 9.029 -12.597 -3.330 1.00 0.00 C ATOM 235 NE ARG B 18 9.871 -13.800 -3.376 1.00 0.00 N ATOM 236 CZ ARG B 18 9.420 -15.059 -3.249 1.00 0.00 C ATOM 237 NH1 ARG B 18 8.115 -15.303 -3.057 1.00 0.00 N ATOM 238 NH2 ARG B 18 10.283 -16.081 -3.315 1.00 0.00 N ATOM 0 H ARG B 18 12.046 -9.324 -3.535 1.00 0.00 H new ATOM 0 HA ARG B 18 11.606 -10.132 -6.321 1.00 0.00 H new ATOM 0 HB2 ARG B 18 9.647 -11.440 -5.722 1.00 0.00 H new ATOM 0 HB3 ARG B 18 11.117 -12.167 -5.102 1.00 0.00 H new ATOM 0 HG2 ARG B 18 10.645 -11.253 -2.840 1.00 0.00 H new ATOM 0 HG3 ARG B 18 9.210 -10.449 -3.445 1.00 0.00 H new ATOM 0 HD2 ARG B 18 8.540 -12.532 -2.358 1.00 0.00 H new ATOM 0 HD3 ARG B 18 8.241 -12.675 -4.079 1.00 0.00 H new ATOM 0 HE ARG B 18 10.873 -13.670 -3.515 1.00 0.00 H new ATOM 0 HH11 ARG B 18 7.453 -14.528 -3.006 1.00 0.00 H new ATOM 0 HH12 ARG B 18 7.784 -16.263 -2.962 1.00 0.00 H new ATOM 0 HH21 ARG B 18 11.276 -15.901 -3.461 1.00 0.00 H new ATOM 0 HH22 ARG B 18 9.947 -17.039 -3.219 1.00 0.00 H new ATOM 252 N SER B 19 9.500 -8.619 -6.318 1.00 0.00 N ATOM 253 CA SER B 19 8.575 -7.509 -6.484 1.00 0.00 C ATOM 254 C SER B 19 9.310 -6.160 -6.411 1.00 0.00 C ATOM 255 O SER B 19 10.475 -6.070 -6.797 1.00 0.00 O ATOM 256 CB SER B 19 7.428 -7.672 -5.477 1.00 0.00 C ATOM 257 OG SER B 19 6.379 -6.761 -5.730 1.00 0.00 O ATOM 0 H SER B 19 9.468 -9.280 -7.094 1.00 0.00 H new ATOM 0 HA SER B 19 8.129 -7.518 -7.479 1.00 0.00 H new ATOM 0 HB2 SER B 19 7.044 -8.691 -5.524 1.00 0.00 H new ATOM 0 HB3 SER B 19 7.806 -7.520 -4.466 1.00 0.00 H new ATOM 0 HG SER B 19 5.553 -7.256 -5.914 1.00 0.00 H new ATOM 263 N GLN B 20 8.619 -5.110 -5.949 1.00 0.00 N ATOM 264 CA GLN B 20 9.129 -3.750 -5.863 1.00 0.00 C ATOM 265 C GLN B 20 8.869 -3.232 -4.449 1.00 0.00 C ATOM 266 O GLN B 20 9.796 -3.151 -3.646 1.00 0.00 O ATOM 267 CB GLN B 20 8.483 -2.858 -6.938 1.00 0.00 C ATOM 268 CG GLN B 20 8.748 -3.336 -8.373 1.00 0.00 C ATOM 269 CD GLN B 20 7.893 -4.536 -8.791 1.00 0.00 C ATOM 270 OE1 GLN B 20 6.782 -4.727 -8.298 1.00 0.00 O ATOM 271 NE2 GLN B 20 8.414 -5.359 -9.702 1.00 0.00 N ATOM 0 H GLN B 20 7.659 -5.195 -5.616 1.00 0.00 H new ATOM 0 HA GLN B 20 10.202 -3.732 -6.054 1.00 0.00 H new ATOM 0 HB2 GLN B 20 7.407 -2.821 -6.769 1.00 0.00 H new ATOM 0 HB3 GLN B 20 8.858 -1.841 -6.828 1.00 0.00 H new ATOM 0 HG2 GLN B 20 8.562 -2.511 -9.061 1.00 0.00 H new ATOM 0 HG3 GLN B 20 9.801 -3.600 -8.470 1.00 0.00 H new ATOM 0 HE21 GLN B 20 9.338 -5.171 -10.090 1.00 0.00 H new ATOM 0 HE22 GLN B 20 7.888 -6.177 -10.011 1.00 0.00 H new ATOM 280 N LEU B 21 7.596 -2.932 -4.151 1.00 0.00 N ATOM 281 CA LEU B 21 7.072 -2.625 -2.830 1.00 0.00 C ATOM 282 C LEU B 21 7.937 -1.628 -2.049 1.00 0.00 C ATOM 283 O LEU B 21 8.336 -1.890 -0.915 1.00 0.00 O ATOM 284 CB LEU B 21 6.809 -3.958 -2.100 1.00 0.00 C ATOM 285 CG LEU B 21 5.471 -3.920 -1.356 1.00 0.00 C ATOM 286 CD1 LEU B 21 5.028 -5.332 -0.954 1.00 0.00 C ATOM 287 CD2 LEU B 21 5.558 -3.026 -0.113 1.00 0.00 C ATOM 0 H LEU B 21 6.873 -2.898 -4.870 1.00 0.00 H new ATOM 0 HA LEU B 21 6.126 -2.091 -2.923 1.00 0.00 H new ATOM 0 HB2 LEU B 21 6.806 -4.777 -2.820 1.00 0.00 H new ATOM 0 HB3 LEU B 21 7.616 -4.156 -1.395 1.00 0.00 H new ATOM 0 HG LEU B 21 4.729 -3.500 -2.035 1.00 0.00 H new ATOM 0 HD11 LEU B 21 4.075 -5.278 -0.427 1.00 0.00 H new ATOM 0 HD12 LEU B 21 4.914 -5.946 -1.847 1.00 0.00 H new ATOM 0 HD13 LEU B 21 5.779 -5.777 -0.301 1.00 0.00 H new ATOM 0 HD21 LEU B 21 4.595 -3.017 0.397 1.00 0.00 H new ATOM 0 HD22 LEU B 21 6.322 -3.414 0.561 1.00 0.00 H new ATOM 0 HD23 LEU B 21 5.820 -2.011 -0.412 1.00 0.00 H new ATOM 299 N ASP B 22 8.215 -0.472 -2.663 1.00 0.00 N ATOM 300 CA ASP B 22 9.058 0.562 -2.078 1.00 0.00 C ATOM 301 C ASP B 22 8.235 1.512 -1.203 1.00 0.00 C ATOM 302 O ASP B 22 7.047 1.295 -0.962 1.00 0.00 O ATOM 303 CB ASP B 22 9.811 1.319 -3.185 1.00 0.00 C ATOM 304 CG ASP B 22 10.583 0.368 -4.090 1.00 0.00 C ATOM 305 OD1 ASP B 22 9.980 -0.133 -5.065 1.00 0.00 O ATOM 306 OD2 ASP B 22 11.774 0.147 -3.789 1.00 0.00 O ATOM 0 H ASP B 22 7.856 -0.232 -3.587 1.00 0.00 H new ATOM 0 HA ASP B 22 9.796 0.088 -1.430 1.00 0.00 H new ATOM 0 HB2 ASP B 22 9.102 1.893 -3.781 1.00 0.00 H new ATOM 0 HB3 ASP B 22 10.500 2.033 -2.734 1.00 0.00 H new ATOM 311 N ARG B 23 8.905 2.569 -0.733 1.00 0.00 N ATOM 312 CA ARG B 23 8.388 3.633 0.112 1.00 0.00 C ATOM 313 C ARG B 23 7.070 4.195 -0.437 1.00 0.00 C ATOM 314 O ARG B 23 6.003 3.898 0.094 1.00 0.00 O ATOM 315 CB ARG B 23 9.513 4.676 0.246 1.00 0.00 C ATOM 316 CG ARG B 23 9.157 5.979 0.968 1.00 0.00 C ATOM 317 CD ARG B 23 8.345 5.774 2.246 1.00 0.00 C ATOM 318 NE ARG B 23 8.951 4.787 3.149 1.00 0.00 N ATOM 319 CZ ARG B 23 8.301 4.199 4.167 1.00 0.00 C ATOM 320 NH1 ARG B 23 7.000 4.428 4.376 1.00 0.00 N ATOM 321 NH2 ARG B 23 8.952 3.389 5.009 1.00 0.00 N ATOM 0 H ARG B 23 9.892 2.707 -0.953 1.00 0.00 H new ATOM 0 HA ARG B 23 8.123 3.270 1.105 1.00 0.00 H new ATOM 0 HB2 ARG B 23 10.347 4.212 0.772 1.00 0.00 H new ATOM 0 HB3 ARG B 23 9.867 4.926 -0.754 1.00 0.00 H new ATOM 0 HG2 ARG B 23 10.077 6.510 1.214 1.00 0.00 H new ATOM 0 HG3 ARG B 23 8.592 6.617 0.288 1.00 0.00 H new ATOM 0 HD2 ARG B 23 8.248 6.726 2.767 1.00 0.00 H new ATOM 0 HD3 ARG B 23 7.338 5.451 1.984 1.00 0.00 H new ATOM 0 HE ARG B 23 9.926 4.532 2.993 1.00 0.00 H new ATOM 0 HH11 ARG B 23 6.487 5.057 3.758 1.00 0.00 H new ATOM 0 HH12 ARG B 23 6.521 3.974 5.153 1.00 0.00 H new ATOM 0 HH21 ARG B 23 9.949 3.214 4.880 1.00 0.00 H new ATOM 0 HH22 ARG B 23 8.452 2.946 5.780 1.00 0.00 H new ATOM 335 N ASP B 24 7.150 5.004 -1.494 1.00 0.00 N ATOM 336 CA ASP B 24 6.047 5.742 -2.095 1.00 0.00 C ATOM 337 C ASP B 24 4.879 4.879 -2.589 1.00 0.00 C ATOM 338 O ASP B 24 3.761 5.380 -2.696 1.00 0.00 O ATOM 339 CB ASP B 24 6.604 6.590 -3.245 1.00 0.00 C ATOM 340 CG ASP B 24 7.672 7.571 -2.766 1.00 0.00 C ATOM 341 OD1 ASP B 24 8.805 7.098 -2.521 1.00 0.00 O ATOM 342 OD2 ASP B 24 7.339 8.769 -2.647 1.00 0.00 O ATOM 0 H ASP B 24 8.034 5.168 -1.976 1.00 0.00 H new ATOM 0 HA ASP B 24 5.618 6.360 -1.306 1.00 0.00 H new ATOM 0 HB2 ASP B 24 7.028 5.935 -4.006 1.00 0.00 H new ATOM 0 HB3 ASP B 24 5.790 7.141 -3.716 1.00 0.00 H new ATOM 347 N GLN B 25 5.128 3.606 -2.917 1.00 0.00 N ATOM 348 CA GLN B 25 4.175 2.735 -3.602 1.00 0.00 C ATOM 349 C GLN B 25 3.191 2.057 -2.640 1.00 0.00 C ATOM 350 O GLN B 25 3.522 1.837 -1.474 1.00 0.00 O ATOM 351 CB GLN B 25 4.936 1.659 -4.393 1.00 0.00 C ATOM 352 CG GLN B 25 6.287 2.136 -4.939 1.00 0.00 C ATOM 353 CD GLN B 25 6.859 1.209 -6.011 1.00 0.00 C ATOM 354 OE1 GLN B 25 7.468 1.673 -6.971 1.00 0.00 O ATOM 355 NE2 GLN B 25 6.666 -0.104 -5.864 1.00 0.00 N ATOM 0 H GLN B 25 6.015 3.147 -2.709 1.00 0.00 H new ATOM 0 HA GLN B 25 3.591 3.365 -4.273 1.00 0.00 H new ATOM 0 HB2 GLN B 25 5.099 0.795 -3.749 1.00 0.00 H new ATOM 0 HB3 GLN B 25 4.315 1.325 -5.225 1.00 0.00 H new ATOM 0 HG2 GLN B 25 6.171 3.136 -5.356 1.00 0.00 H new ATOM 0 HG3 GLN B 25 6.998 2.214 -4.117 1.00 0.00 H new ATOM 0 HE21 GLN B 25 6.156 -0.457 -5.055 1.00 0.00 H new ATOM 0 HE22 GLN B 25 7.029 -0.754 -6.561 1.00 0.00 H new ATOM 364 N CYS B 26 2.006 1.673 -3.147 1.00 0.00 N ATOM 365 CA CYS B 26 1.064 0.829 -2.415 1.00 0.00 C ATOM 366 C CYS B 26 1.676 -0.543 -2.163 1.00 0.00 C ATOM 367 O CYS B 26 2.334 -1.113 -3.031 1.00 0.00 O ATOM 368 CB CYS B 26 -0.286 0.678 -3.138 1.00 0.00 C ATOM 369 SG CYS B 26 -1.429 -0.462 -2.283 1.00 0.00 S ATOM 0 H CYS B 26 1.681 1.942 -4.076 1.00 0.00 H new ATOM 0 HA CYS B 26 0.865 1.326 -1.465 1.00 0.00 H new ATOM 0 HB2 CYS B 26 -0.756 1.657 -3.226 1.00 0.00 H new ATOM 0 HB3 CYS B 26 -0.111 0.316 -4.151 1.00 0.00 H new ATOM 374 N ALA B 27 1.425 -1.083 -0.970 1.00 0.00 N ATOM 375 CA ALA B 27 1.970 -2.349 -0.514 1.00 0.00 C ATOM 376 C ALA B 27 1.151 -3.554 -0.995 1.00 0.00 C ATOM 377 O ALA B 27 1.133 -4.591 -0.334 1.00 0.00 O ATOM 378 CB ALA B 27 2.000 -2.290 1.008 1.00 0.00 C ATOM 0 H ALA B 27 0.821 -0.635 -0.281 1.00 0.00 H new ATOM 0 HA ALA B 27 2.967 -2.490 -0.931 1.00 0.00 H new ATOM 0 HB1 ALA B 27 2.404 -3.223 1.400 1.00 0.00 H new ATOM 0 HB2 ALA B 27 2.629 -1.460 1.328 1.00 0.00 H new ATOM 0 HB3 ALA B 27 0.988 -2.145 1.387 1.00 0.00 H new ATOM 384 N TYR B 28 0.466 -3.409 -2.134 1.00 0.00 N ATOM 385 CA TYR B 28 -0.528 -4.340 -2.647 1.00 0.00 C ATOM 386 C TYR B 28 -0.509 -4.257 -4.170 1.00 0.00 C ATOM 387 O TYR B 28 -0.348 -5.258 -4.866 1.00 0.00 O ATOM 388 CB TYR B 28 -1.900 -3.911 -2.095 1.00 0.00 C ATOM 389 CG TYR B 28 -3.021 -4.934 -2.132 1.00 0.00 C ATOM 390 CD1 TYR B 28 -3.492 -5.440 -3.359 1.00 0.00 C ATOM 391 CD2 TYR B 28 -3.636 -5.340 -0.933 1.00 0.00 C ATOM 392 CE1 TYR B 28 -4.550 -6.364 -3.382 1.00 0.00 C ATOM 393 CE2 TYR B 28 -4.675 -6.285 -0.954 1.00 0.00 C ATOM 394 CZ TYR B 28 -5.135 -6.796 -2.180 1.00 0.00 C ATOM 395 OH TYR B 28 -6.146 -7.711 -2.206 1.00 0.00 O ATOM 0 H TYR B 28 0.599 -2.603 -2.745 1.00 0.00 H new ATOM 0 HA TYR B 28 -0.322 -5.366 -2.344 1.00 0.00 H new ATOM 0 HB2 TYR B 28 -1.763 -3.599 -1.060 1.00 0.00 H new ATOM 0 HB3 TYR B 28 -2.227 -3.033 -2.652 1.00 0.00 H new ATOM 0 HD1 TYR B 28 -3.039 -5.117 -4.285 1.00 0.00 H new ATOM 0 HD2 TYR B 28 -3.308 -4.923 0.008 1.00 0.00 H new ATOM 0 HE1 TYR B 28 -4.914 -6.743 -4.325 1.00 0.00 H new ATOM 0 HE2 TYR B 28 -5.120 -6.619 -0.028 1.00 0.00 H new ATOM 0 HH TYR B 28 -6.438 -7.902 -1.290 1.00 0.00 H new ATOM 405 N CYS B 29 -0.681 -3.026 -4.656 1.00 0.00 N ATOM 406 CA CYS B 29 -0.916 -2.663 -6.041 1.00 0.00 C ATOM 407 C CYS B 29 0.295 -1.971 -6.647 1.00 0.00 C ATOM 408 O CYS B 29 0.435 -1.957 -7.868 1.00 0.00 O ATOM 409 CB CYS B 29 -2.094 -1.680 -6.092 1.00 0.00 C ATOM 410 SG CYS B 29 -3.516 -2.136 -5.103 1.00 0.00 S ATOM 0 H CYS B 29 -0.657 -2.208 -4.047 1.00 0.00 H new ATOM 0 HA CYS B 29 -1.122 -3.573 -6.604 1.00 0.00 H new ATOM 0 HB2 CYS B 29 -1.743 -0.701 -5.765 1.00 0.00 H new ATOM 0 HB3 CYS B 29 -2.412 -1.574 -7.129 1.00 0.00 H new ATOM 415 N LYS B 30 1.136 -1.359 -5.797 1.00 0.00 N ATOM 416 CA LYS B 30 2.202 -0.459 -6.201 1.00 0.00 C ATOM 417 C LYS B 30 1.678 0.548 -7.238 1.00 0.00 C ATOM 418 O LYS B 30 2.338 0.836 -8.234 1.00 0.00 O ATOM 419 CB LYS B 30 3.425 -1.252 -6.676 1.00 0.00 C ATOM 420 CG LYS B 30 3.828 -2.403 -5.742 1.00 0.00 C ATOM 421 CD LYS B 30 2.928 -3.645 -5.853 1.00 0.00 C ATOM 422 CE LYS B 30 3.725 -4.950 -5.785 1.00 0.00 C ATOM 423 NZ LYS B 30 4.412 -5.113 -4.494 1.00 0.00 N ATOM 0 H LYS B 30 1.083 -1.487 -4.786 1.00 0.00 H new ATOM 0 HA LYS B 30 2.538 0.126 -5.345 1.00 0.00 H new ATOM 0 HB2 LYS B 30 3.219 -1.657 -7.667 1.00 0.00 H new ATOM 0 HB3 LYS B 30 4.269 -0.570 -6.780 1.00 0.00 H new ATOM 0 HG2 LYS B 30 4.856 -2.692 -5.961 1.00 0.00 H new ATOM 0 HG3 LYS B 30 3.810 -2.045 -4.713 1.00 0.00 H new ATOM 0 HD2 LYS B 30 2.191 -3.630 -5.050 1.00 0.00 H new ATOM 0 HD3 LYS B 30 2.376 -3.608 -6.792 1.00 0.00 H new ATOM 0 HE2 LYS B 30 3.053 -5.793 -5.947 1.00 0.00 H new ATOM 0 HE3 LYS B 30 4.459 -4.968 -6.591 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 5.256 -5.706 -4.623 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 4.696 -4.180 -4.132 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 3.770 -5.568 -3.814 1.00 0.00 H new ATOM 437 N GLU B 31 0.458 1.047 -6.993 1.00 0.00 N ATOM 438 CA GLU B 31 -0.328 1.825 -7.941 1.00 0.00 C ATOM 439 C GLU B 31 0.218 3.228 -8.202 1.00 0.00 C ATOM 440 O GLU B 31 1.075 3.752 -7.493 1.00 0.00 O ATOM 441 CB GLU B 31 -1.794 1.947 -7.466 1.00 0.00 C ATOM 442 CG GLU B 31 -2.832 1.364 -8.444 1.00 0.00 C ATOM 443 CD GLU B 31 -2.951 2.057 -9.798 1.00 0.00 C ATOM 444 OE1 GLU B 31 -2.033 1.868 -10.623 1.00 0.00 O ATOM 445 OE2 GLU B 31 -3.965 2.764 -9.987 1.00 0.00 O ATOM 0 H GLU B 31 -0.017 0.912 -6.100 1.00 0.00 H new ATOM 0 HA GLU B 31 -0.267 1.273 -8.879 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -1.895 1.442 -6.505 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -2.022 3.000 -7.298 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -2.588 0.316 -8.617 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -3.809 1.388 -7.961 1.00 0.00 H new ATOM 452 N LYS B 32 -0.397 3.808 -9.232 1.00 0.00 N ATOM 453 CA LYS B 32 -0.427 5.153 -9.728 1.00 0.00 C ATOM 454 C LYS B 32 -0.175 6.185 -8.631 1.00 0.00 C ATOM 455 O LYS B 32 0.802 6.928 -8.695 1.00 0.00 O ATOM 456 CB LYS B 32 -1.869 5.197 -10.243 1.00 0.00 C ATOM 457 CG LYS B 32 -2.398 6.512 -10.752 1.00 0.00 C ATOM 458 CD LYS B 32 -3.912 6.325 -10.919 1.00 0.00 C ATOM 459 CE LYS B 32 -4.547 7.568 -11.548 1.00 0.00 C ATOM 460 NZ LYS B 32 -6.002 7.402 -11.717 1.00 0.00 N ATOM 0 H LYS B 32 -0.983 3.224 -9.829 1.00 0.00 H new ATOM 0 HA LYS B 32 0.339 5.390 -10.466 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -1.959 4.467 -11.048 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -2.522 4.864 -9.436 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -2.180 7.318 -10.051 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -1.931 6.779 -11.700 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -4.109 5.454 -11.545 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -4.368 6.130 -9.949 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -4.349 8.437 -10.920 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -4.087 7.763 -12.517 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -6.402 8.261 -12.145 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -6.189 6.587 -12.336 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -6.443 7.240 -10.789 1.00 0.00 H new ATOM 474 N GLY B 33 -1.082 6.250 -7.649 1.00 0.00 N ATOM 475 CA GLY B 33 -1.035 7.282 -6.629 1.00 0.00 C ATOM 476 C GLY B 33 -1.944 6.999 -5.435 1.00 0.00 C ATOM 477 O GLY B 33 -2.795 7.824 -5.108 1.00 0.00 O ATOM 0 H GLY B 33 -1.856 5.594 -7.547 1.00 0.00 H new ATOM 0 HA2 GLY B 33 -0.009 7.388 -6.277 1.00 0.00 H new ATOM 0 HA3 GLY B 33 -1.319 8.235 -7.074 1.00 0.00 H new ATOM 481 N HIS B 34 -1.752 5.851 -4.774 1.00 0.00 N ATOM 482 CA HIS B 34 -2.361 5.564 -3.481 1.00 0.00 C ATOM 483 C HIS B 34 -1.406 4.661 -2.698 1.00 0.00 C ATOM 484 O HIS B 34 -0.359 4.269 -3.213 1.00 0.00 O ATOM 485 CB HIS B 34 -3.801 5.022 -3.592 1.00 0.00 C ATOM 486 CG HIS B 34 -3.944 3.573 -3.997 1.00 0.00 C ATOM 487 ND1 HIS B 34 -4.632 3.110 -5.098 1.00 0.00 N ATOM 488 CD2 HIS B 34 -3.511 2.429 -3.393 1.00 0.00 C ATOM 489 CE1 HIS B 34 -4.525 1.768 -5.072 1.00 0.00 C ATOM 490 NE2 HIS B 34 -3.878 1.246 -4.016 1.00 0.00 N ATOM 0 H HIS B 34 -1.166 5.095 -5.128 1.00 0.00 H new ATOM 0 HA HIS B 34 -2.496 6.491 -2.924 1.00 0.00 H new ATOM 0 HB2 HIS B 34 -4.292 5.158 -2.629 1.00 0.00 H new ATOM 0 HB3 HIS B 34 -4.342 5.634 -4.314 1.00 0.00 H new ATOM 0 HD1 HIS B 34 -5.124 3.672 -5.793 1.00 0.00 H new ATOM 0 HD2 HIS B 34 -2.921 2.444 -2.489 1.00 0.00 H new ATOM 0 HE1 HIS B 34 -4.935 1.147 -5.855 1.00 0.00 H new ATOM 498 N TRP B 35 -1.764 4.351 -1.448 1.00 0.00 N ATOM 499 CA TRP B 35 -0.936 3.595 -0.521 1.00 0.00 C ATOM 500 C TRP B 35 -1.704 2.435 0.110 1.00 0.00 C ATOM 501 O TRP B 35 -2.911 2.337 -0.068 1.00 0.00 O ATOM 502 CB TRP B 35 -0.409 4.561 0.533 1.00 0.00 C ATOM 503 CG TRP B 35 1.069 4.643 0.674 1.00 0.00 C ATOM 504 CD1 TRP B 35 2.004 4.444 -0.281 1.00 0.00 C ATOM 505 CD2 TRP B 35 1.793 4.958 1.884 1.00 0.00 C ATOM 506 NE1 TRP B 35 3.260 4.548 0.274 1.00 0.00 N ATOM 507 CE2 TRP B 35 3.184 4.875 1.609 1.00 0.00 C ATOM 508 CE3 TRP B 35 1.404 5.317 3.188 1.00 0.00 C ATOM 509 CZ2 TRP B 35 4.146 5.122 2.588 1.00 0.00 C ATOM 510 CZ3 TRP B 35 2.358 5.597 4.170 1.00 0.00 C ATOM 511 CH2 TRP B 35 3.727 5.513 3.866 1.00 0.00 C ATOM 0 H TRP B 35 -2.661 4.629 -1.049 1.00 0.00 H new ATOM 0 HA TRP B 35 -0.102 3.142 -1.058 1.00 0.00 H new ATOM 0 HB2 TRP B 35 -0.786 5.557 0.302 1.00 0.00 H new ATOM 0 HB3 TRP B 35 -0.829 4.277 1.498 1.00 0.00 H new ATOM 0 HD1 TRP B 35 1.798 4.235 -1.320 1.00 0.00 H new ATOM 0 HE1 TRP B 35 4.131 4.402 -0.236 1.00 0.00 H new ATOM 0 HE3 TRP B 35 0.354 5.377 3.433 1.00 0.00 H new ATOM 0 HZ2 TRP B 35 5.197 5.014 2.364 1.00 0.00 H new ATOM 0 HZ3 TRP B 35 2.042 5.878 5.164 1.00 0.00 H new ATOM 0 HH2 TRP B 35 4.461 5.751 4.622 1.00 0.00 H new ATOM 522 N ALA B 36 -1.020 1.583 0.887 1.00 0.00 N ATOM 523 CA ALA B 36 -1.655 0.483 1.614 1.00 0.00 C ATOM 524 C ALA B 36 -2.650 1.069 2.611 1.00 0.00 C ATOM 525 O ALA B 36 -3.760 0.566 2.777 1.00 0.00 O ATOM 526 CB ALA B 36 -0.608 -0.389 2.317 1.00 0.00 C ATOM 0 H ALA B 36 -0.011 1.640 1.027 1.00 0.00 H new ATOM 0 HA ALA B 36 -2.184 -0.163 0.913 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -1.107 -1.199 2.850 1.00 0.00 H new ATOM 0 HB2 ALA B 36 0.073 -0.808 1.576 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -0.045 0.218 3.026 1.00 0.00 H new ATOM 532 N LYS B 37 -2.227 2.185 3.214 1.00 0.00 N ATOM 533 CA LYS B 37 -2.988 3.093 4.046 1.00 0.00 C ATOM 534 C LYS B 37 -4.352 3.420 3.425 1.00 0.00 C ATOM 535 O LYS B 37 -5.365 3.437 4.121 1.00 0.00 O ATOM 536 CB LYS B 37 -2.113 4.344 4.184 1.00 0.00 C ATOM 537 CG LYS B 37 -2.739 5.544 4.884 1.00 0.00 C ATOM 538 CD LYS B 37 -2.913 5.377 6.400 1.00 0.00 C ATOM 539 CE LYS B 37 -1.744 5.970 7.199 1.00 0.00 C ATOM 540 NZ LYS B 37 -0.462 5.310 6.899 1.00 0.00 N ATOM 0 H LYS B 37 -1.259 2.493 3.117 1.00 0.00 H new ATOM 0 HA LYS B 37 -3.214 2.654 5.018 1.00 0.00 H new ATOM 0 HB2 LYS B 37 -1.208 4.068 4.726 1.00 0.00 H new ATOM 0 HB3 LYS B 37 -1.805 4.655 3.186 1.00 0.00 H new ATOM 0 HG2 LYS B 37 -2.120 6.422 4.697 1.00 0.00 H new ATOM 0 HG3 LYS B 37 -3.714 5.741 4.439 1.00 0.00 H new ATOM 0 HD2 LYS B 37 -3.841 5.858 6.710 1.00 0.00 H new ATOM 0 HD3 LYS B 37 -3.009 4.317 6.636 1.00 0.00 H new ATOM 0 HE2 LYS B 37 -1.661 7.034 6.979 1.00 0.00 H new ATOM 0 HE3 LYS B 37 -1.954 5.880 8.265 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 0.259 5.626 7.579 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 -0.577 4.279 6.971 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 -0.161 5.559 5.935 1.00 0.00 H new ATOM 554 N ASP B 38 -4.357 3.697 2.117 1.00 0.00 N ATOM 555 CA ASP B 38 -5.479 4.240 1.358 1.00 0.00 C ATOM 556 C ASP B 38 -6.016 3.250 0.315 1.00 0.00 C ATOM 557 O ASP B 38 -6.819 3.628 -0.535 1.00 0.00 O ATOM 558 CB ASP B 38 -4.951 5.488 0.633 1.00 0.00 C ATOM 559 CG ASP B 38 -6.060 6.353 0.044 1.00 0.00 C ATOM 560 OD1 ASP B 38 -6.954 6.742 0.826 1.00 0.00 O ATOM 561 OD2 ASP B 38 -5.987 6.617 -1.176 1.00 0.00 O ATOM 0 H ASP B 38 -3.535 3.539 1.533 1.00 0.00 H new ATOM 0 HA ASP B 38 -6.301 4.461 2.039 1.00 0.00 H new ATOM 0 HB2 ASP B 38 -4.365 6.085 1.331 1.00 0.00 H new ATOM 0 HB3 ASP B 38 -4.277 5.179 -0.166 1.00 0.00 H new ATOM 566 N CYS B 39 -5.584 1.985 0.356 1.00 0.00 N ATOM 567 CA CYS B 39 -5.836 1.057 -0.730 1.00 0.00 C ATOM 568 C CYS B 39 -7.324 0.719 -0.890 1.00 0.00 C ATOM 569 O CYS B 39 -7.953 0.291 0.079 1.00 0.00 O ATOM 570 CB CYS B 39 -5.009 -0.203 -0.523 1.00 0.00 C ATOM 571 SG CYS B 39 -5.077 -1.362 -1.902 1.00 0.00 S ATOM 0 H CYS B 39 -5.058 1.588 1.135 1.00 0.00 H new ATOM 0 HA CYS B 39 -5.536 1.543 -1.658 1.00 0.00 H new ATOM 0 HB2 CYS B 39 -3.971 0.081 -0.352 1.00 0.00 H new ATOM 0 HB3 CYS B 39 -5.355 -0.708 0.379 1.00 0.00 H new ATOM 576 N PRO B 40 -7.882 0.896 -2.103 1.00 0.00 N ATOM 577 CA PRO B 40 -9.245 0.555 -2.456 1.00 0.00 C ATOM 578 C PRO B 40 -9.390 -0.910 -2.884 1.00 0.00 C ATOM 579 O PRO B 40 -10.457 -1.490 -2.696 1.00 0.00 O ATOM 580 CB PRO B 40 -9.588 1.510 -3.590 1.00 0.00 C ATOM 581 CG PRO B 40 -8.276 1.612 -4.360 1.00 0.00 C ATOM 582 CD PRO B 40 -7.235 1.519 -3.245 1.00 0.00 C ATOM 0 HA PRO B 40 -9.921 0.656 -1.607 1.00 0.00 H new ATOM 0 HB2 PRO B 40 -10.393 1.123 -4.214 1.00 0.00 H new ATOM 0 HB3 PRO B 40 -9.913 2.481 -3.216 1.00 0.00 H new ATOM 0 HG2 PRO B 40 -8.167 0.806 -5.086 1.00 0.00 H new ATOM 0 HG3 PRO B 40 -8.199 2.550 -4.910 1.00 0.00 H new ATOM 0 HD2 PRO B 40 -6.376 0.931 -3.569 1.00 0.00 H new ATOM 0 HD3 PRO B 40 -6.863 2.509 -2.983 1.00 0.00 H new ATOM 590 N LYS B 41 -8.341 -1.509 -3.466 1.00 0.00 N ATOM 591 CA LYS B 41 -8.387 -2.881 -3.959 1.00 0.00 C ATOM 592 C LYS B 41 -8.377 -3.880 -2.800 1.00 0.00 C ATOM 593 O LYS B 41 -8.870 -4.998 -2.940 1.00 0.00 O ATOM 594 CB LYS B 41 -7.225 -3.149 -4.923 1.00 0.00 C ATOM 595 CG LYS B 41 -7.113 -2.067 -6.003 1.00 0.00 C ATOM 596 CD LYS B 41 -6.270 -2.580 -7.174 1.00 0.00 C ATOM 597 CE LYS B 41 -5.749 -1.417 -8.026 1.00 0.00 C ATOM 598 NZ LYS B 41 -4.801 -1.882 -9.053 1.00 0.00 N ATOM 0 H LYS B 41 -7.440 -1.051 -3.605 1.00 0.00 H new ATOM 0 HA LYS B 41 -9.320 -3.013 -4.506 1.00 0.00 H new ATOM 0 HB2 LYS B 41 -6.292 -3.198 -4.361 1.00 0.00 H new ATOM 0 HB3 LYS B 41 -7.364 -4.121 -5.397 1.00 0.00 H new ATOM 0 HG2 LYS B 41 -8.106 -1.788 -6.354 1.00 0.00 H new ATOM 0 HG3 LYS B 41 -6.659 -1.169 -5.584 1.00 0.00 H new ATOM 0 HD2 LYS B 41 -5.430 -3.162 -6.795 1.00 0.00 H new ATOM 0 HD3 LYS B 41 -6.869 -3.249 -7.792 1.00 0.00 H new ATOM 0 HE2 LYS B 41 -6.587 -0.912 -8.505 1.00 0.00 H new ATOM 0 HE3 LYS B 41 -5.261 -0.684 -7.384 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 -4.468 -1.070 -9.611 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 -3.989 -2.342 -8.593 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 -5.275 -2.562 -9.680 1.00 0.00 H new ATOM 612 N LYS B 42 -7.826 -3.465 -1.654 1.00 0.00 N ATOM 613 CA LYS B 42 -7.816 -4.219 -0.420 1.00 0.00 C ATOM 614 C LYS B 42 -9.258 -4.505 0.015 1.00 0.00 C ATOM 615 O LYS B 42 -10.067 -3.578 0.006 1.00 0.00 O ATOM 616 CB LYS B 42 -7.120 -3.369 0.653 1.00 0.00 C ATOM 617 CG LYS B 42 -6.729 -4.171 1.901 1.00 0.00 C ATOM 618 CD LYS B 42 -6.571 -3.296 3.154 1.00 0.00 C ATOM 619 CE LYS B 42 -5.779 -1.996 2.958 1.00 0.00 C ATOM 620 NZ LYS B 42 -4.472 -2.215 2.314 1.00 0.00 N ATOM 0 H LYS B 42 -7.361 -2.561 -1.570 1.00 0.00 H new ATOM 0 HA LYS B 42 -7.290 -5.164 -0.557 1.00 0.00 H new ATOM 0 HB2 LYS B 42 -6.225 -2.917 0.225 1.00 0.00 H new ATOM 0 HB3 LYS B 42 -7.781 -2.553 0.946 1.00 0.00 H new ATOM 0 HG2 LYS B 42 -7.487 -4.931 2.089 1.00 0.00 H new ATOM 0 HG3 LYS B 42 -5.792 -4.695 1.710 1.00 0.00 H new ATOM 0 HD2 LYS B 42 -7.564 -3.043 3.527 1.00 0.00 H new ATOM 0 HD3 LYS B 42 -6.081 -3.886 3.928 1.00 0.00 H new ATOM 0 HE2 LYS B 42 -6.366 -1.306 2.352 1.00 0.00 H new ATOM 0 HE3 LYS B 42 -5.626 -1.519 3.926 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 -3.918 -1.335 2.344 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 -3.958 -2.965 2.819 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 -4.616 -2.500 1.324 1.00 0.00 H new ATOM 634 N PRO B 43 -9.593 -5.749 0.402 1.00 0.00 N ATOM 635 CA PRO B 43 -10.851 -6.086 1.055 1.00 0.00 C ATOM 636 C PRO B 43 -11.077 -5.121 2.225 1.00 0.00 C ATOM 637 O PRO B 43 -10.379 -5.198 3.236 1.00 0.00 O ATOM 638 CB PRO B 43 -10.694 -7.541 1.512 1.00 0.00 C ATOM 639 CG PRO B 43 -9.715 -8.118 0.491 1.00 0.00 C ATOM 640 CD PRO B 43 -8.792 -6.938 0.183 1.00 0.00 C ATOM 0 HA PRO B 43 -11.720 -5.992 0.404 1.00 0.00 H new ATOM 0 HB2 PRO B 43 -10.303 -7.605 2.527 1.00 0.00 H new ATOM 0 HB3 PRO B 43 -11.646 -8.072 1.503 1.00 0.00 H new ATOM 0 HG2 PRO B 43 -9.163 -8.965 0.897 1.00 0.00 H new ATOM 0 HG3 PRO B 43 -10.228 -8.471 -0.403 1.00 0.00 H new ATOM 0 HD2 PRO B 43 -7.916 -6.946 0.832 1.00 0.00 H new ATOM 0 HD3 PRO B 43 -8.429 -6.982 -0.844 1.00 0.00 H new ATOM 648 N ARG B 44 -12.007 -4.174 2.056 1.00 0.00 N ATOM 649 CA ARG B 44 -12.165 -3.046 2.962 1.00 0.00 C ATOM 650 C ARG B 44 -13.601 -2.528 2.873 1.00 0.00 C ATOM 651 O ARG B 44 -13.849 -1.426 2.386 1.00 0.00 O ATOM 652 CB ARG B 44 -11.115 -1.997 2.557 1.00 0.00 C ATOM 653 CG ARG B 44 -10.923 -0.857 3.560 1.00 0.00 C ATOM 654 CD ARG B 44 -9.791 0.036 3.040 1.00 0.00 C ATOM 655 NE ARG B 44 -9.416 1.067 4.014 1.00 0.00 N ATOM 656 CZ ARG B 44 -8.305 1.817 3.925 1.00 0.00 C ATOM 657 NH1 ARG B 44 -7.483 1.712 2.871 1.00 0.00 N ATOM 658 NH2 ARG B 44 -8.009 2.681 4.904 1.00 0.00 N ATOM 0 H ARG B 44 -12.671 -4.175 1.282 1.00 0.00 H new ATOM 0 HA ARG B 44 -12.001 -3.317 4.005 1.00 0.00 H new ATOM 0 HB2 ARG B 44 -10.158 -2.499 2.412 1.00 0.00 H new ATOM 0 HB3 ARG B 44 -11.400 -1.571 1.595 1.00 0.00 H new ATOM 0 HG2 ARG B 44 -11.844 -0.283 3.668 1.00 0.00 H new ATOM 0 HG3 ARG B 44 -10.676 -1.252 4.545 1.00 0.00 H new ATOM 0 HD2 ARG B 44 -8.921 -0.579 2.809 1.00 0.00 H new ATOM 0 HD3 ARG B 44 -10.102 0.511 2.110 1.00 0.00 H new ATOM 0 HE ARG B 44 -10.037 1.224 4.808 1.00 0.00 H new ATOM 0 HH11 ARG B 44 -7.697 1.055 2.121 1.00 0.00 H new ATOM 0 HH12 ARG B 44 -6.644 2.289 2.819 1.00 0.00 H new ATOM 0 HH21 ARG B 44 -8.626 2.767 5.712 1.00 0.00 H new ATOM 0 HH22 ARG B 44 -7.167 3.253 4.842 1.00 0.00 H new ATOM 672 N GLY B 45 -14.552 -3.344 3.339 1.00 0.00 N ATOM 673 CA GLY B 45 -15.970 -3.032 3.301 1.00 0.00 C ATOM 674 C GLY B 45 -16.784 -4.220 3.816 1.00 0.00 C ATOM 675 O GLY B 45 -16.214 -5.143 4.397 1.00 0.00 O ATOM 0 H GLY B 45 -14.347 -4.251 3.758 1.00 0.00 H new ATOM 0 HA2 GLY B 45 -16.173 -2.151 3.910 1.00 0.00 H new ATOM 0 HA3 GLY B 45 -16.270 -2.791 2.281 1.00 0.00 H new ATOM 679 N PRO B 46 -18.112 -4.208 3.608 1.00 0.00 N ATOM 680 CA PRO B 46 -19.015 -5.277 4.012 1.00 0.00 C ATOM 681 C PRO B 46 -18.604 -6.643 3.454 1.00 0.00 C ATOM 682 O PRO B 46 -17.997 -6.729 2.388 1.00 0.00 O ATOM 683 CB PRO B 46 -20.397 -4.866 3.494 1.00 0.00 C ATOM 684 CG PRO B 46 -20.311 -3.342 3.446 1.00 0.00 C ATOM 685 CD PRO B 46 -18.860 -3.105 3.028 1.00 0.00 C ATOM 0 HA PRO B 46 -19.000 -5.399 5.095 1.00 0.00 H new ATOM 0 HB2 PRO B 46 -20.601 -5.289 2.510 1.00 0.00 H new ATOM 0 HB3 PRO B 46 -21.193 -5.204 4.158 1.00 0.00 H new ATOM 0 HG2 PRO B 46 -21.014 -2.918 2.729 1.00 0.00 H new ATOM 0 HG3 PRO B 46 -20.533 -2.892 4.414 1.00 0.00 H new ATOM 0 HD2 PRO B 46 -18.760 -3.089 1.943 1.00 0.00 H new ATOM 0 HD3 PRO B 46 -18.496 -2.146 3.396 1.00 0.00 H new ATOM 693 N ARG B 47 -18.950 -7.708 4.185 1.00 0.00 N ATOM 694 CA ARG B 47 -18.653 -9.086 3.813 1.00 0.00 C ATOM 695 C ARG B 47 -19.697 -10.025 4.419 1.00 0.00 C ATOM 696 O ARG B 47 -20.230 -10.886 3.721 1.00 0.00 O ATOM 697 CB ARG B 47 -17.226 -9.450 4.257 1.00 0.00 C ATOM 698 CG ARG B 47 -16.880 -10.935 4.071 1.00 0.00 C ATOM 699 CD ARG B 47 -16.953 -11.386 2.606 1.00 0.00 C ATOM 700 NE ARG B 47 -16.730 -12.833 2.483 1.00 0.00 N ATOM 701 CZ ARG B 47 -17.656 -13.781 2.710 1.00 0.00 C ATOM 702 NH1 ARG B 47 -18.901 -13.459 3.094 1.00 0.00 N ATOM 703 NH2 ARG B 47 -17.329 -15.071 2.553 1.00 0.00 N ATOM 0 H ARG B 47 -19.454 -7.629 5.068 1.00 0.00 H new ATOM 0 HA ARG B 47 -18.701 -9.195 2.730 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -16.515 -8.847 3.692 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -17.104 -9.187 5.308 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -15.876 -11.120 4.453 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -17.564 -11.540 4.667 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -17.928 -11.129 2.192 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -16.207 -10.849 2.020 1.00 0.00 H new ATOM 0 HE ARG B 47 -15.799 -13.143 2.203 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -19.159 -12.480 3.219 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -19.589 -14.193 3.261 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -16.385 -15.326 2.264 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -18.024 -15.798 2.723 1.00 0.00 H new ATOM 717 N GLY B 48 -19.977 -9.862 5.718 1.00 0.00 N ATOM 718 CA GLY B 48 -21.007 -10.606 6.423 1.00 0.00 C ATOM 719 C GLY B 48 -21.496 -9.798 7.624 1.00 0.00 C ATOM 720 O GLY B 48 -21.171 -10.148 8.758 1.00 0.00 O ATOM 0 H GLY B 48 -19.481 -9.196 6.311 1.00 0.00 H new ATOM 0 HA2 GLY B 48 -21.839 -10.818 5.752 1.00 0.00 H new ATOM 0 HA3 GLY B 48 -20.613 -11.566 6.755 1.00 0.00 H new ATOM 724 N PRO B 49 -22.279 -8.728 7.403 1.00 0.00 N ATOM 725 CA PRO B 49 -22.797 -7.861 8.447 1.00 0.00 C ATOM 726 C PRO B 49 -24.108 -8.474 8.939 1.00 0.00 C ATOM 727 O PRO B 49 -25.165 -7.846 8.880 1.00 0.00 O ATOM 728 CB PRO B 49 -23.005 -6.522 7.735 1.00 0.00 C ATOM 729 CG PRO B 49 -23.497 -6.957 6.352 1.00 0.00 C ATOM 730 CD PRO B 49 -22.772 -8.285 6.108 1.00 0.00 C ATOM 0 HA PRO B 49 -22.153 -7.737 9.318 1.00 0.00 H new ATOM 0 HB2 PRO B 49 -23.737 -5.898 8.249 1.00 0.00 H new ATOM 0 HB3 PRO B 49 -22.081 -5.946 7.675 1.00 0.00 H new ATOM 0 HG2 PRO B 49 -24.580 -7.083 6.334 1.00 0.00 H new ATOM 0 HG3 PRO B 49 -23.249 -6.219 5.589 1.00 0.00 H new ATOM 0 HD2 PRO B 49 -23.448 -9.023 5.677 1.00 0.00 H new ATOM 0 HD3 PRO B 49 -21.951 -8.155 5.403 1.00 0.00 H new ATOM 738 N ARG B 50 -24.036 -9.733 9.384 1.00 0.00 N ATOM 739 CA ARG B 50 -25.208 -10.538 9.665 1.00 0.00 C ATOM 740 C ARG B 50 -25.998 -9.937 10.837 1.00 0.00 C ATOM 741 O ARG B 50 -25.426 -9.765 11.912 1.00 0.00 O ATOM 742 CB ARG B 50 -24.764 -11.977 9.979 1.00 0.00 C ATOM 743 CG ARG B 50 -25.937 -12.927 10.261 1.00 0.00 C ATOM 744 CD ARG B 50 -26.673 -13.357 8.983 1.00 0.00 C ATOM 745 NE ARG B 50 -28.082 -13.677 9.249 1.00 0.00 N ATOM 746 CZ ARG B 50 -28.531 -14.699 9.997 1.00 0.00 C ATOM 747 NH1 ARG B 50 -27.687 -15.605 10.509 1.00 0.00 N ATOM 748 NH2 ARG B 50 -29.843 -14.807 10.243 1.00 0.00 N ATOM 0 H ARG B 50 -23.154 -10.216 9.557 1.00 0.00 H new ATOM 0 HA ARG B 50 -25.864 -10.551 8.795 1.00 0.00 H new ATOM 0 HB2 ARG B 50 -24.187 -12.363 9.139 1.00 0.00 H new ATOM 0 HB3 ARG B 50 -24.100 -11.964 10.843 1.00 0.00 H new ATOM 0 HG2 ARG B 50 -25.566 -13.813 10.777 1.00 0.00 H new ATOM 0 HG3 ARG B 50 -26.641 -12.438 10.934 1.00 0.00 H new ATOM 0 HD2 ARG B 50 -26.615 -12.559 8.243 1.00 0.00 H new ATOM 0 HD3 ARG B 50 -26.177 -14.227 8.553 1.00 0.00 H new ATOM 0 HE ARG B 50 -28.783 -13.068 8.828 1.00 0.00 H new ATOM 0 HH11 ARG B 50 -26.685 -15.526 10.333 1.00 0.00 H new ATOM 0 HH12 ARG B 50 -28.046 -16.374 11.075 1.00 0.00 H new ATOM 0 HH21 ARG B 50 -30.491 -14.117 9.864 1.00 0.00 H new ATOM 0 HH22 ARG B 50 -30.194 -15.579 10.810 1.00 0.00 H new ATOM 762 N PRO B 51 -27.302 -9.644 10.673 1.00 0.00 N ATOM 763 CA PRO B 51 -28.149 -9.130 11.740 1.00 0.00 C ATOM 764 C PRO B 51 -28.635 -10.287 12.627 1.00 0.00 C ATOM 765 O PRO B 51 -29.835 -10.518 12.764 1.00 0.00 O ATOM 766 CB PRO B 51 -29.292 -8.420 11.007 1.00 0.00 C ATOM 767 CG PRO B 51 -29.481 -9.293 9.768 1.00 0.00 C ATOM 768 CD PRO B 51 -28.050 -9.711 9.426 1.00 0.00 C ATOM 0 HA PRO B 51 -27.637 -8.445 12.416 1.00 0.00 H new ATOM 0 HB2 PRO B 51 -30.197 -8.374 11.613 1.00 0.00 H new ATOM 0 HB3 PRO B 51 -29.031 -7.394 10.745 1.00 0.00 H new ATOM 0 HG2 PRO B 51 -30.116 -10.155 9.974 1.00 0.00 H new ATOM 0 HG3 PRO B 51 -29.947 -8.741 8.952 1.00 0.00 H new ATOM 0 HD2 PRO B 51 -28.027 -10.719 9.011 1.00 0.00 H new ATOM 0 HD3 PRO B 51 -27.619 -9.048 8.676 1.00 0.00 H new ATOM 776 N GLN B 52 -27.688 -11.020 13.226 1.00 0.00 N ATOM 777 CA GLN B 52 -27.939 -12.151 14.105 1.00 0.00 C ATOM 778 C GLN B 52 -26.632 -12.492 14.822 1.00 0.00 C ATOM 779 O GLN B 52 -25.555 -12.308 14.256 1.00 0.00 O ATOM 780 CB GLN B 52 -28.410 -13.369 13.290 1.00 0.00 C ATOM 781 CG GLN B 52 -29.080 -14.438 14.167 1.00 0.00 C ATOM 782 CD GLN B 52 -29.021 -15.813 13.508 1.00 0.00 C ATOM 783 OE1 GLN B 52 -29.909 -16.182 12.742 1.00 0.00 O ATOM 784 NE2 GLN B 52 -27.964 -16.574 13.794 1.00 0.00 N ATOM 0 H GLN B 52 -26.694 -10.829 13.103 1.00 0.00 H new ATOM 0 HA GLN B 52 -28.718 -11.896 14.823 1.00 0.00 H new ATOM 0 HB2 GLN B 52 -29.112 -13.040 12.523 1.00 0.00 H new ATOM 0 HB3 GLN B 52 -27.557 -13.809 12.774 1.00 0.00 H new ATOM 0 HG2 GLN B 52 -28.586 -14.476 15.138 1.00 0.00 H new ATOM 0 HG3 GLN B 52 -30.119 -14.164 14.348 1.00 0.00 H new ATOM 0 HE21 GLN B 52 -27.248 -16.232 14.435 1.00 0.00 H new ATOM 0 HE22 GLN B 52 -27.872 -17.498 13.372 1.00 0.00 H new ATOM 793 N THR B 53 -26.733 -13.010 16.049 1.00 0.00 N ATOM 794 CA THR B 53 -25.611 -13.589 16.769 1.00 0.00 C ATOM 795 C THR B 53 -25.177 -14.874 16.059 1.00 0.00 C ATOM 796 O THR B 53 -23.957 -15.019 15.828 1.00 0.00 O ATOM 797 CB THR B 53 -26.033 -13.888 18.214 1.00 0.00 C ATOM 798 OG1 THR B 53 -27.215 -14.664 18.214 1.00 0.00 O ATOM 799 CG2 THR B 53 -26.276 -12.600 19.007 1.00 0.00 C ATOM 800 OXT THR B 53 -26.077 -15.693 15.764 1.00 0.00 O ATOM 0 H THR B 53 -27.609 -13.036 16.571 1.00 0.00 H new ATOM 0 HA THR B 53 -24.774 -12.892 16.788 1.00 0.00 H new ATOM 0 HB THR B 53 -25.222 -14.437 18.692 1.00 0.00 H new ATOM 0 HG1 THR B 53 -27.190 -15.299 17.468 1.00 0.00 H new ATOM 0 HG21 THR B 53 -26.573 -12.850 20.025 1.00 0.00 H new ATOM 0 HG22 THR B 53 -25.360 -12.009 19.031 1.00 0.00 H new ATOM 0 HG23 THR B 53 -27.068 -12.023 18.530 1.00 0.00 H new TER 808 THR B 53 HETATM 809 ZN ZN B 55 -3.472 -0.647 -3.373 1.00 0.00 ZN