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 Single : A 1 DA O5' : rot 90:sc= 0.73 USER MOD Single : A 5 DC O3' : rot 180:sc= 0 USER MOD Single : B 19 SER OG : rot 180:sc= 0 USER MOD Single : B 20 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : B 25 GLN : amide:sc= -0.523 X(o=-0.52,f=-0.25) USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 LYS NZ :NH3+ -158:sc= 0.798 (180deg=0.495) USER MOD Single : B 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 41 LYS NZ :NH3+ -159:sc= 1.16 (180deg=0.792) USER MOD Single : B 42 LYS NZ :NH3+ -123:sc= 0.00203 (180deg=-0.0443) USER MOD Single : B 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 53 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 -0.703 -7.443 0.687 1.00 0.00 O ATOM 2 C5' DA A 1 0.361 -7.781 1.550 1.00 0.00 C ATOM 3 C4' DA A 1 0.097 -7.302 2.986 1.00 0.00 C ATOM 4 O4' DA A 1 1.252 -7.566 3.767 1.00 0.00 O ATOM 5 C3' DA A 1 -0.188 -5.804 3.122 1.00 0.00 C ATOM 6 O3' DA A 1 -0.814 -5.531 4.369 1.00 0.00 O ATOM 7 C2' DA A 1 1.241 -5.317 3.122 1.00 0.00 C ATOM 8 C1' DA A 1 1.891 -6.334 4.054 1.00 0.00 C ATOM 9 N9 DA A 1 3.354 -6.453 3.870 1.00 0.00 N ATOM 10 C8 DA A 1 4.107 -6.243 2.743 1.00 0.00 C ATOM 11 N7 DA A 1 5.382 -6.469 2.895 1.00 0.00 N ATOM 12 C5 DA A 1 5.490 -6.842 4.229 1.00 0.00 C ATOM 13 C6 DA A 1 6.587 -7.181 5.049 1.00 0.00 C ATOM 14 N6 DA A 1 7.847 -7.209 4.601 1.00 0.00 N ATOM 15 N1 DA A 1 6.353 -7.486 6.341 1.00 0.00 N ATOM 16 C2 DA A 1 5.104 -7.442 6.798 1.00 0.00 C ATOM 17 N3 DA A 1 3.992 -7.130 6.136 1.00 0.00 N ATOM 18 C4 DA A 1 4.257 -6.831 4.835 1.00 0.00 C ATOM 0 H5' DA A 1 1.285 -7.336 1.181 1.00 0.00 H new ATOM 0 H5'' DA A 1 0.504 -8.862 1.547 1.00 0.00 H new ATOM 0 H4' DA A 1 -0.794 -7.837 3.315 1.00 0.00 H new ATOM 0 H3' DA A 1 -0.846 -5.363 2.373 1.00 0.00 H new ATOM 0 H2' DA A 1 1.682 -5.330 2.125 1.00 0.00 H new ATOM 0 H2'' DA A 1 1.330 -4.297 3.497 1.00 0.00 H new ATOM 0 HO5' DA A 1 -0.541 -6.558 0.299 1.00 0.00 H new ATOM 0 H1' DA A 1 1.767 -6.021 5.091 1.00 0.00 H new ATOM 0 H8 DA A 1 3.679 -5.917 1.807 1.00 0.00 H new ATOM 0 H61 DA A 1 8.607 -7.460 5.233 1.00 0.00 H new ATOM 0 H62 DA A 1 8.047 -6.979 3.628 1.00 0.00 H new ATOM 0 H2 DA A 1 4.976 -7.692 7.841 1.00 0.00 H new ATOM 31 P DC A 2 -1.823 -4.283 4.584 1.00 0.00 P ATOM 32 OP1 DC A 2 -2.491 -4.470 5.891 1.00 0.00 O ATOM 33 OP2 DC A 2 -2.655 -4.174 3.365 1.00 0.00 O ATOM 34 O5' DC A 2 -0.921 -2.943 4.667 1.00 0.00 O ATOM 35 C5' DC A 2 -0.506 -2.337 5.883 1.00 0.00 C ATOM 36 C4' DC A 2 0.693 -3.062 6.500 1.00 0.00 C ATOM 37 O4' DC A 2 1.660 -3.276 5.495 1.00 0.00 O ATOM 38 C3' DC A 2 1.416 -2.235 7.581 1.00 0.00 C ATOM 39 O3' DC A 2 1.315 -2.842 8.856 1.00 0.00 O ATOM 40 C2' DC A 2 2.872 -2.274 7.109 1.00 0.00 C ATOM 41 C1' DC A 2 2.888 -3.443 6.150 1.00 0.00 C ATOM 42 N1 DC A 2 4.081 -3.389 5.270 1.00 0.00 N ATOM 43 C2 DC A 2 5.289 -3.856 5.787 1.00 0.00 C ATOM 44 O2 DC A 2 5.382 -4.215 6.958 1.00 0.00 O ATOM 45 N3 DC A 2 6.366 -3.912 4.958 1.00 0.00 N ATOM 46 C4 DC A 2 6.287 -3.515 3.682 1.00 0.00 C ATOM 47 N4 DC A 2 7.369 -3.658 2.911 1.00 0.00 N ATOM 48 C5 DC A 2 5.079 -2.941 3.159 1.00 0.00 C ATOM 49 C6 DC A 2 4.012 -2.891 3.993 1.00 0.00 C ATOM 0 H5' DC A 2 -1.335 -2.338 6.591 1.00 0.00 H new ATOM 0 H5'' DC A 2 -0.245 -1.295 5.699 1.00 0.00 H new ATOM 0 H4' DC A 2 0.297 -3.977 6.941 1.00 0.00 H new ATOM 0 H3' DC A 2 1.001 -1.233 7.691 1.00 0.00 H new ATOM 0 H2' DC A 2 3.162 -1.345 6.618 1.00 0.00 H new ATOM 0 H2'' DC A 2 3.562 -2.424 7.940 1.00 0.00 H new ATOM 0 H1' DC A 2 2.976 -4.430 6.603 1.00 0.00 H new ATOM 0 H41 DC A 2 7.342 -3.365 1.934 1.00 0.00 H new ATOM 0 H42 DC A 2 8.222 -4.060 3.299 1.00 0.00 H new ATOM 0 H5 DC A 2 5.023 -2.566 2.148 1.00 0.00 H new ATOM 0 H6 DC A 2 3.089 -2.451 3.646 1.00 0.00 H new ATOM 61 P DG A 3 1.573 -2.007 10.221 1.00 0.00 P ATOM 62 OP1 DG A 3 1.861 -2.982 11.295 1.00 0.00 O ATOM 63 OP2 DG A 3 0.456 -1.050 10.384 1.00 0.00 O ATOM 64 O5' DG A 3 2.928 -1.164 9.942 1.00 0.00 O ATOM 65 C5' DG A 3 2.900 0.243 9.795 1.00 0.00 C ATOM 66 C4' DG A 3 4.240 0.782 9.269 1.00 0.00 C ATOM 67 O4' DG A 3 4.399 0.330 7.930 1.00 0.00 O ATOM 68 C3' DG A 3 4.180 2.317 9.235 1.00 0.00 C ATOM 69 O3' DG A 3 5.379 3.007 9.579 1.00 0.00 O ATOM 70 C2' DG A 3 3.649 2.587 7.839 1.00 0.00 C ATOM 71 C1' DG A 3 4.203 1.409 7.031 1.00 0.00 C ATOM 72 N9 DG A 3 3.363 1.035 5.866 1.00 0.00 N ATOM 73 C8 DG A 3 1.996 1.028 5.732 1.00 0.00 C ATOM 74 N7 DG A 3 1.583 0.816 4.514 1.00 0.00 N ATOM 75 C5 DG A 3 2.753 0.626 3.788 1.00 0.00 C ATOM 76 C6 DG A 3 2.954 0.438 2.385 1.00 0.00 C ATOM 77 O6 DG A 3 2.123 0.494 1.483 1.00 0.00 O ATOM 78 N1 DG A 3 4.292 0.223 2.064 1.00 0.00 N ATOM 79 C2 DG A 3 5.324 0.232 2.984 1.00 0.00 C ATOM 80 N2 DG A 3 6.553 -0.003 2.520 1.00 0.00 N ATOM 81 N3 DG A 3 5.145 0.466 4.293 1.00 0.00 N ATOM 82 C4 DG A 3 3.842 0.671 4.627 1.00 0.00 C ATOM 0 H5' DG A 3 2.673 0.706 10.755 1.00 0.00 H new ATOM 0 H5'' DG A 3 2.100 0.522 9.109 1.00 0.00 H new ATOM 0 H4' DG A 3 5.058 0.444 9.905 1.00 0.00 H new ATOM 0 H3' DG A 3 3.544 2.721 10.022 1.00 0.00 H new ATOM 0 H2' DG A 3 2.560 2.614 7.819 1.00 0.00 H new ATOM 0 H2'' DG A 3 3.999 3.544 7.451 1.00 0.00 H new ATOM 0 H1' DG A 3 5.151 1.702 6.579 1.00 0.00 H new ATOM 0 H8 DG A 3 1.323 1.184 6.562 1.00 0.00 H new ATOM 0 H1 DG A 3 4.526 0.048 1.087 1.00 0.00 H new ATOM 0 H21 DG A 3 7.348 -0.007 3.160 1.00 0.00 H new ATOM 0 H22 DG A 3 6.698 -0.179 1.526 1.00 0.00 H new ATOM 94 P DC A 4 6.772 3.012 8.744 1.00 0.00 P ATOM 95 OP1 DC A 4 7.004 1.666 8.170 1.00 0.00 O ATOM 96 OP2 DC A 4 7.800 3.586 9.637 1.00 0.00 O ATOM 97 O5' DC A 4 6.573 4.064 7.518 1.00 0.00 O ATOM 98 C5' DC A 4 7.517 4.071 6.462 1.00 0.00 C ATOM 99 C4' DC A 4 7.529 5.281 5.512 1.00 0.00 C ATOM 100 O4' DC A 4 6.430 5.359 4.629 1.00 0.00 O ATOM 101 C3' DC A 4 7.656 6.659 6.172 1.00 0.00 C ATOM 102 O3' DC A 4 8.933 7.217 5.895 1.00 0.00 O ATOM 103 C2' DC A 4 6.575 7.465 5.442 1.00 0.00 C ATOM 104 C1' DC A 4 6.452 6.681 4.139 1.00 0.00 C ATOM 105 N1 DC A 4 5.277 7.006 3.277 1.00 0.00 N ATOM 106 C2 DC A 4 5.494 7.410 1.952 1.00 0.00 C ATOM 107 O2 DC A 4 6.619 7.681 1.535 1.00 0.00 O ATOM 108 N3 DC A 4 4.422 7.496 1.114 1.00 0.00 N ATOM 109 C4 DC A 4 3.180 7.255 1.548 1.00 0.00 C ATOM 110 N4 DC A 4 2.173 7.293 0.668 1.00 0.00 N ATOM 111 C5 DC A 4 2.920 6.970 2.930 1.00 0.00 C ATOM 112 C6 DC A 4 3.997 6.867 3.750 1.00 0.00 C ATOM 0 H5' DC A 4 7.353 3.176 5.861 1.00 0.00 H new ATOM 0 H5'' DC A 4 8.510 3.982 6.902 1.00 0.00 H new ATOM 0 H4' DC A 4 8.444 5.063 4.962 1.00 0.00 H new ATOM 0 H3' DC A 4 7.547 6.640 7.256 1.00 0.00 H new ATOM 0 H2' DC A 4 5.637 7.492 5.996 1.00 0.00 H new ATOM 0 H2'' DC A 4 6.876 8.499 5.274 1.00 0.00 H new ATOM 0 H1' DC A 4 7.258 6.911 3.442 1.00 0.00 H new ATOM 0 H41 DC A 4 1.218 7.112 0.978 1.00 0.00 H new ATOM 0 H42 DC A 4 2.360 7.503 -0.312 1.00 0.00 H new ATOM 0 H5 DC A 4 1.914 6.843 3.301 1.00 0.00 H new ATOM 0 H6 DC A 4 3.842 6.671 4.801 1.00 0.00 H new ATOM 124 P DC A 5 10.292 6.635 6.555 1.00 0.00 P ATOM 125 OP1 DC A 5 10.795 5.536 5.694 1.00 0.00 O ATOM 126 OP2 DC A 5 10.038 6.374 7.987 1.00 0.00 O ATOM 127 O5' DC A 5 11.369 7.842 6.456 1.00 0.00 O ATOM 128 C5' DC A 5 11.026 9.189 6.162 1.00 0.00 C ATOM 129 C4' DC A 5 10.270 9.937 7.273 1.00 0.00 C ATOM 130 O4' DC A 5 8.909 9.572 7.349 1.00 0.00 O ATOM 131 C3' DC A 5 10.807 9.731 8.687 1.00 0.00 C ATOM 132 O3' DC A 5 11.992 10.462 8.918 1.00 0.00 O ATOM 133 C2' DC A 5 9.636 10.277 9.495 1.00 0.00 C ATOM 134 C1' DC A 5 8.413 9.941 8.623 1.00 0.00 C ATOM 135 N1 DC A 5 7.548 8.829 9.116 1.00 0.00 N ATOM 136 C2 DC A 5 6.191 8.852 8.772 1.00 0.00 C ATOM 137 O2 DC A 5 5.724 9.759 8.085 1.00 0.00 O ATOM 138 N3 DC A 5 5.386 7.840 9.206 1.00 0.00 N ATOM 139 C4 DC A 5 5.878 6.828 9.935 1.00 0.00 C ATOM 140 N4 DC A 5 5.043 5.866 10.337 1.00 0.00 N ATOM 141 C5 DC A 5 7.268 6.770 10.284 1.00 0.00 C ATOM 142 C6 DC A 5 8.056 7.782 9.851 1.00 0.00 C ATOM 0 H5' DC A 5 10.415 9.201 5.259 1.00 0.00 H new ATOM 0 H5'' DC A 5 11.940 9.737 5.936 1.00 0.00 H new ATOM 0 H4' DC A 5 10.413 10.974 6.969 1.00 0.00 H new ATOM 0 H3' DC A 5 11.092 8.706 8.923 1.00 0.00 H new ATOM 0 H2' DC A 5 9.571 9.807 10.476 1.00 0.00 H new ATOM 0 H2'' DC A 5 9.728 11.350 9.661 1.00 0.00 H new ATOM 0 HO3' DC A 5 12.301 10.303 9.834 1.00 0.00 H new ATOM 0 H1' DC A 5 7.777 10.826 8.626 1.00 0.00 H new ATOM 0 H41 DC A 5 5.394 5.086 10.893 1.00 0.00 H new ATOM 0 H42 DC A 5 4.055 5.912 10.088 1.00 0.00 H new ATOM 0 H5 DC A 5 7.669 5.954 10.867 1.00 0.00 H new ATOM 0 H6 DC A 5 9.110 7.767 10.088 1.00 0.00 H new TER 155 DC A 5 ATOM 156 N GLY B 14 14.400 -3.945 12.080 1.00 0.00 N ATOM 157 CA GLY B 14 14.922 -3.011 11.069 1.00 0.00 C ATOM 158 C GLY B 14 14.730 -3.552 9.654 1.00 0.00 C ATOM 159 O GLY B 14 15.643 -4.163 9.104 1.00 0.00 O ATOM 0 HA2 GLY B 14 14.416 -2.050 11.164 1.00 0.00 H new ATOM 0 HA3 GLY B 14 15.982 -2.832 11.250 1.00 0.00 H new ATOM 165 N GLU B 15 13.538 -3.340 9.081 1.00 0.00 N ATOM 166 CA GLU B 15 13.178 -3.852 7.764 1.00 0.00 C ATOM 167 C GLU B 15 13.955 -3.123 6.662 1.00 0.00 C ATOM 168 O GLU B 15 14.486 -3.769 5.762 1.00 0.00 O ATOM 169 CB GLU B 15 11.659 -3.734 7.566 1.00 0.00 C ATOM 170 CG GLU B 15 11.185 -4.575 6.373 1.00 0.00 C ATOM 171 CD GLU B 15 9.695 -4.401 6.086 1.00 0.00 C ATOM 172 OE1 GLU B 15 8.952 -4.050 7.029 1.00 0.00 O ATOM 173 OE2 GLU B 15 9.324 -4.576 4.905 1.00 0.00 O ATOM 0 H GLU B 15 12.794 -2.803 9.527 1.00 0.00 H new ATOM 0 HA GLU B 15 13.452 -4.905 7.699 1.00 0.00 H new ATOM 0 HB2 GLU B 15 11.146 -4.060 8.471 1.00 0.00 H new ATOM 0 HB3 GLU B 15 11.391 -2.690 7.407 1.00 0.00 H new ATOM 0 HG2 GLU B 15 11.757 -4.297 5.487 1.00 0.00 H new ATOM 0 HG3 GLU B 15 11.393 -5.627 6.569 1.00 0.00 H new ATOM 180 N ARG B 16 14.015 -1.784 6.746 1.00 0.00 N ATOM 181 CA ARG B 16 14.709 -0.875 5.833 1.00 0.00 C ATOM 182 C ARG B 16 13.956 -0.701 4.510 1.00 0.00 C ATOM 183 O ARG B 16 13.629 0.427 4.141 1.00 0.00 O ATOM 184 CB ARG B 16 16.177 -1.270 5.592 1.00 0.00 C ATOM 185 CG ARG B 16 16.975 -1.381 6.897 1.00 0.00 C ATOM 186 CD ARG B 16 18.437 -1.713 6.589 1.00 0.00 C ATOM 187 NE ARG B 16 19.225 -1.838 7.823 1.00 0.00 N ATOM 188 CZ ARG B 16 20.534 -2.139 7.868 1.00 0.00 C ATOM 189 NH1 ARG B 16 21.226 -2.352 6.739 1.00 0.00 N ATOM 190 NH2 ARG B 16 21.154 -2.226 9.052 1.00 0.00 N ATOM 0 H ARG B 16 13.550 -1.281 7.502 1.00 0.00 H new ATOM 0 HA ARG B 16 14.724 0.093 6.335 1.00 0.00 H new ATOM 0 HB2 ARG B 16 16.212 -2.224 5.066 1.00 0.00 H new ATOM 0 HB3 ARG B 16 16.647 -0.531 4.944 1.00 0.00 H new ATOM 0 HG2 ARG B 16 16.915 -0.444 7.451 1.00 0.00 H new ATOM 0 HG3 ARG B 16 16.544 -2.155 7.532 1.00 0.00 H new ATOM 0 HD2 ARG B 16 18.490 -2.644 6.025 1.00 0.00 H new ATOM 0 HD3 ARG B 16 18.865 -0.933 5.959 1.00 0.00 H new ATOM 0 HE ARG B 16 18.744 -1.685 8.709 1.00 0.00 H new ATOM 0 HH11 ARG B 16 20.759 -2.286 5.835 1.00 0.00 H new ATOM 0 HH12 ARG B 16 22.219 -2.580 6.785 1.00 0.00 H new ATOM 0 HH21 ARG B 16 20.633 -2.064 9.914 1.00 0.00 H new ATOM 0 HH22 ARG B 16 22.147 -2.454 9.092 1.00 0.00 H new ATOM 204 N ARG B 17 13.699 -1.813 3.808 1.00 0.00 N ATOM 205 CA ARG B 17 13.051 -1.874 2.504 1.00 0.00 C ATOM 206 C ARG B 17 13.952 -1.201 1.456 1.00 0.00 C ATOM 207 O ARG B 17 15.121 -1.569 1.348 1.00 0.00 O ATOM 208 CB ARG B 17 11.616 -1.315 2.562 1.00 0.00 C ATOM 209 CG ARG B 17 10.766 -1.895 3.699 1.00 0.00 C ATOM 210 CD ARG B 17 9.419 -1.165 3.785 1.00 0.00 C ATOM 211 NE ARG B 17 8.609 -1.673 4.905 1.00 0.00 N ATOM 212 CZ ARG B 17 7.994 -0.966 5.872 1.00 0.00 C ATOM 213 NH1 ARG B 17 7.933 0.372 5.843 1.00 0.00 N ATOM 214 NH2 ARG B 17 7.436 -1.621 6.897 1.00 0.00 N ATOM 0 H ARG B 17 13.953 -2.737 4.157 1.00 0.00 H new ATOM 0 HA ARG B 17 12.928 -2.912 2.195 1.00 0.00 H new ATOM 0 HB2 ARG B 17 11.663 -0.232 2.674 1.00 0.00 H new ATOM 0 HB3 ARG B 17 11.120 -1.516 1.612 1.00 0.00 H new ATOM 0 HG2 ARG B 17 10.600 -2.959 3.531 1.00 0.00 H new ATOM 0 HG3 ARG B 17 11.299 -1.801 4.645 1.00 0.00 H new ATOM 0 HD2 ARG B 17 9.589 -0.096 3.911 1.00 0.00 H new ATOM 0 HD3 ARG B 17 8.873 -1.293 2.850 1.00 0.00 H new ATOM 0 HE ARG B 17 8.500 -2.686 4.954 1.00 0.00 H new ATOM 0 HH11 ARG B 17 8.360 0.885 5.072 1.00 0.00 H new ATOM 0 HH12 ARG B 17 7.459 0.877 6.592 1.00 0.00 H new ATOM 0 HH21 ARG B 17 7.481 -2.639 6.937 1.00 0.00 H new ATOM 0 HH22 ARG B 17 6.966 -1.102 7.639 1.00 0.00 H new ATOM 228 N ARG B 18 13.432 -0.225 0.697 1.00 0.00 N ATOM 229 CA ARG B 18 14.150 0.516 -0.336 1.00 0.00 C ATOM 230 C ARG B 18 14.784 -0.425 -1.360 1.00 0.00 C ATOM 231 O ARG B 18 15.996 -0.430 -1.562 1.00 0.00 O ATOM 232 CB ARG B 18 15.122 1.535 0.284 1.00 0.00 C ATOM 233 CG ARG B 18 14.318 2.563 1.093 1.00 0.00 C ATOM 234 CD ARG B 18 15.151 3.753 1.580 1.00 0.00 C ATOM 235 NE ARG B 18 14.277 4.798 2.137 1.00 0.00 N ATOM 236 CZ ARG B 18 13.680 4.769 3.343 1.00 0.00 C ATOM 237 NH1 ARG B 18 13.995 3.831 4.247 1.00 0.00 N ATOM 238 NH2 ARG B 18 12.749 5.686 3.644 1.00 0.00 N ATOM 0 H ARG B 18 12.463 0.077 0.794 1.00 0.00 H new ATOM 0 HA ARG B 18 13.435 1.111 -0.904 1.00 0.00 H new ATOM 0 HB2 ARG B 18 15.840 1.027 0.928 1.00 0.00 H new ATOM 0 HB3 ARG B 18 15.693 2.035 -0.498 1.00 0.00 H new ATOM 0 HG2 ARG B 18 13.497 2.933 0.479 1.00 0.00 H new ATOM 0 HG3 ARG B 18 13.873 2.066 1.955 1.00 0.00 H new ATOM 0 HD2 ARG B 18 15.861 3.422 2.338 1.00 0.00 H new ATOM 0 HD3 ARG B 18 15.734 4.160 0.753 1.00 0.00 H new ATOM 0 HE ARG B 18 14.108 5.619 1.556 1.00 0.00 H new ATOM 0 HH11 ARG B 18 14.697 3.125 4.026 1.00 0.00 H new ATOM 0 HH12 ARG B 18 13.533 3.823 5.156 1.00 0.00 H new ATOM 0 HH21 ARG B 18 12.497 6.400 2.961 1.00 0.00 H new ATOM 0 HH22 ARG B 18 12.293 5.669 4.556 1.00 0.00 H new ATOM 252 N SER B 19 13.919 -1.206 -2.018 1.00 0.00 N ATOM 253 CA SER B 19 14.253 -2.090 -3.122 1.00 0.00 C ATOM 254 C SER B 19 12.973 -2.342 -3.922 1.00 0.00 C ATOM 255 O SER B 19 12.857 -1.895 -5.061 1.00 0.00 O ATOM 256 CB SER B 19 14.882 -3.384 -2.586 1.00 0.00 C ATOM 257 OG SER B 19 15.195 -4.262 -3.648 1.00 0.00 O ATOM 0 H SER B 19 12.928 -1.235 -1.779 1.00 0.00 H new ATOM 0 HA SER B 19 14.994 -1.640 -3.783 1.00 0.00 H new ATOM 0 HB2 SER B 19 15.785 -3.149 -2.023 1.00 0.00 H new ATOM 0 HB3 SER B 19 14.193 -3.871 -1.896 1.00 0.00 H new ATOM 0 HG SER B 19 15.596 -5.080 -3.288 1.00 0.00 H new ATOM 263 N GLN B 20 12.007 -3.031 -3.302 1.00 0.00 N ATOM 264 CA GLN B 20 10.647 -3.211 -3.794 1.00 0.00 C ATOM 265 C GLN B 20 9.707 -3.215 -2.588 1.00 0.00 C ATOM 266 O GLN B 20 10.164 -3.316 -1.449 1.00 0.00 O ATOM 267 CB GLN B 20 10.509 -4.528 -4.572 1.00 0.00 C ATOM 268 CG GLN B 20 11.416 -4.595 -5.809 1.00 0.00 C ATOM 269 CD GLN B 20 11.171 -5.848 -6.648 1.00 0.00 C ATOM 270 OE1 GLN B 20 10.334 -6.684 -6.313 1.00 0.00 O ATOM 271 NE2 GLN B 20 11.908 -5.983 -7.751 1.00 0.00 N ATOM 0 H GLN B 20 12.164 -3.495 -2.407 1.00 0.00 H new ATOM 0 HA GLN B 20 10.395 -2.399 -4.477 1.00 0.00 H new ATOM 0 HB2 GLN B 20 10.746 -5.361 -3.910 1.00 0.00 H new ATOM 0 HB3 GLN B 20 9.472 -4.653 -4.882 1.00 0.00 H new ATOM 0 HG2 GLN B 20 11.250 -3.711 -6.425 1.00 0.00 H new ATOM 0 HG3 GLN B 20 12.459 -4.572 -5.492 1.00 0.00 H new ATOM 0 HE21 GLN B 20 12.593 -5.269 -7.997 1.00 0.00 H new ATOM 0 HE22 GLN B 20 11.787 -6.801 -8.349 1.00 0.00 H new ATOM 280 N LEU B 21 8.394 -3.112 -2.840 1.00 0.00 N ATOM 281 CA LEU B 21 7.367 -3.093 -1.802 1.00 0.00 C ATOM 282 C LEU B 21 7.638 -1.951 -0.805 1.00 0.00 C ATOM 283 O LEU B 21 7.425 -2.088 0.399 1.00 0.00 O ATOM 284 CB LEU B 21 7.278 -4.505 -1.174 1.00 0.00 C ATOM 285 CG LEU B 21 5.860 -5.080 -1.274 1.00 0.00 C ATOM 286 CD1 LEU B 21 5.823 -6.586 -0.988 1.00 0.00 C ATOM 287 CD2 LEU B 21 4.941 -4.393 -0.270 1.00 0.00 C ATOM 0 H LEU B 21 8.016 -3.039 -3.785 1.00 0.00 H new ATOM 0 HA LEU B 21 6.382 -2.873 -2.212 1.00 0.00 H new ATOM 0 HB2 LEU B 21 7.978 -5.172 -1.677 1.00 0.00 H new ATOM 0 HB3 LEU B 21 7.579 -4.458 -0.127 1.00 0.00 H new ATOM 0 HG LEU B 21 5.525 -4.904 -2.296 1.00 0.00 H new ATOM 0 HD11 LEU B 21 4.798 -6.947 -1.071 1.00 0.00 H new ATOM 0 HD12 LEU B 21 6.451 -7.109 -1.709 1.00 0.00 H new ATOM 0 HD13 LEU B 21 6.194 -6.774 0.020 1.00 0.00 H new ATOM 0 HD21 LEU B 21 3.937 -4.810 -0.351 1.00 0.00 H new ATOM 0 HD22 LEU B 21 5.320 -4.553 0.739 1.00 0.00 H new ATOM 0 HD23 LEU B 21 4.908 -3.324 -0.480 1.00 0.00 H new ATOM 299 N ASP B 22 8.119 -0.816 -1.337 1.00 0.00 N ATOM 300 CA ASP B 22 8.664 0.301 -0.578 1.00 0.00 C ATOM 301 C ASP B 22 7.607 1.374 -0.264 1.00 0.00 C ATOM 302 O ASP B 22 6.419 1.065 -0.182 1.00 0.00 O ATOM 303 CB ASP B 22 9.889 0.824 -1.351 1.00 0.00 C ATOM 304 CG ASP B 22 10.803 1.702 -0.503 1.00 0.00 C ATOM 305 OD1 ASP B 22 11.086 1.295 0.643 1.00 0.00 O ATOM 306 OD2 ASP B 22 11.154 2.797 -0.988 1.00 0.00 O ATOM 0 H ASP B 22 8.136 -0.654 -2.344 1.00 0.00 H new ATOM 0 HA ASP B 22 8.985 -0.025 0.411 1.00 0.00 H new ATOM 0 HB2 ASP B 22 10.460 -0.023 -1.731 1.00 0.00 H new ATOM 0 HB3 ASP B 22 9.549 1.393 -2.216 1.00 0.00 H new ATOM 311 N ARG B 23 8.042 2.623 -0.040 1.00 0.00 N ATOM 312 CA ARG B 23 7.238 3.716 0.479 1.00 0.00 C ATOM 313 C ARG B 23 6.476 4.434 -0.635 1.00 0.00 C ATOM 314 O ARG B 23 5.356 4.892 -0.435 1.00 0.00 O ATOM 315 CB ARG B 23 8.133 4.715 1.226 1.00 0.00 C ATOM 316 CG ARG B 23 9.236 4.123 2.117 1.00 0.00 C ATOM 317 CD ARG B 23 8.723 3.053 3.089 1.00 0.00 C ATOM 318 NE ARG B 23 9.583 2.923 4.275 1.00 0.00 N ATOM 319 CZ ARG B 23 10.845 2.478 4.329 1.00 0.00 C ATOM 320 NH1 ARG B 23 11.509 2.133 3.225 1.00 0.00 N ATOM 321 NH2 ARG B 23 11.450 2.362 5.518 1.00 0.00 N ATOM 0 H ARG B 23 9.006 2.900 -0.227 1.00 0.00 H new ATOM 0 HA ARG B 23 6.506 3.294 1.167 1.00 0.00 H new ATOM 0 HB2 ARG B 23 8.604 5.366 0.490 1.00 0.00 H new ATOM 0 HB3 ARG B 23 7.495 5.344 1.847 1.00 0.00 H new ATOM 0 HG2 ARG B 23 10.010 3.688 1.484 1.00 0.00 H new ATOM 0 HG3 ARG B 23 9.704 4.926 2.686 1.00 0.00 H new ATOM 0 HD2 ARG B 23 7.710 3.305 3.403 1.00 0.00 H new ATOM 0 HD3 ARG B 23 8.668 2.093 2.575 1.00 0.00 H new ATOM 0 HE ARG B 23 9.168 3.206 5.163 1.00 0.00 H new ATOM 0 HH11 ARG B 23 11.056 2.205 2.314 1.00 0.00 H new ATOM 0 HH12 ARG B 23 12.470 1.797 3.292 1.00 0.00 H new ATOM 0 HH21 ARG B 23 10.950 2.612 6.371 1.00 0.00 H new ATOM 0 HH22 ARG B 23 12.411 2.024 5.570 1.00 0.00 H new ATOM 335 N ASP B 24 7.097 4.538 -1.811 1.00 0.00 N ATOM 336 CA ASP B 24 6.493 5.082 -3.019 1.00 0.00 C ATOM 337 C ASP B 24 5.213 4.330 -3.412 1.00 0.00 C ATOM 338 O ASP B 24 4.238 4.949 -3.835 1.00 0.00 O ATOM 339 CB ASP B 24 7.532 4.997 -4.146 1.00 0.00 C ATOM 340 CG ASP B 24 6.976 5.453 -5.493 1.00 0.00 C ATOM 341 OD1 ASP B 24 6.531 6.619 -5.565 1.00 0.00 O ATOM 342 OD2 ASP B 24 7.005 4.625 -6.428 1.00 0.00 O ATOM 0 H ASP B 24 8.062 4.236 -1.949 1.00 0.00 H new ATOM 0 HA ASP B 24 6.202 6.117 -2.838 1.00 0.00 H new ATOM 0 HB2 ASP B 24 8.395 5.611 -3.887 1.00 0.00 H new ATOM 0 HB3 ASP B 24 7.886 3.970 -4.232 1.00 0.00 H new ATOM 347 N GLN B 25 5.234 2.998 -3.288 1.00 0.00 N ATOM 348 CA GLN B 25 4.218 2.093 -3.814 1.00 0.00 C ATOM 349 C GLN B 25 3.332 1.474 -2.727 1.00 0.00 C ATOM 350 O GLN B 25 3.761 1.304 -1.587 1.00 0.00 O ATOM 351 CB GLN B 25 4.930 0.999 -4.621 1.00 0.00 C ATOM 352 CG GLN B 25 5.940 0.197 -3.783 1.00 0.00 C ATOM 353 CD GLN B 25 6.527 -0.962 -4.578 1.00 0.00 C ATOM 354 OE1 GLN B 25 7.708 -0.965 -4.914 1.00 0.00 O ATOM 355 NE2 GLN B 25 5.696 -1.961 -4.872 1.00 0.00 N ATOM 0 H GLN B 25 5.986 2.509 -2.802 1.00 0.00 H new ATOM 0 HA GLN B 25 3.542 2.669 -4.445 1.00 0.00 H new ATOM 0 HB2 GLN B 25 4.186 0.318 -5.034 1.00 0.00 H new ATOM 0 HB3 GLN B 25 5.447 1.456 -5.465 1.00 0.00 H new ATOM 0 HG2 GLN B 25 6.743 0.855 -3.450 1.00 0.00 H new ATOM 0 HG3 GLN B 25 5.450 -0.185 -2.888 1.00 0.00 H new ATOM 0 HE21 GLN B 25 4.722 -1.918 -4.574 1.00 0.00 H new ATOM 0 HE22 GLN B 25 6.034 -2.768 -5.396 1.00 0.00 H new ATOM 364 N CYS B 26 2.105 1.089 -3.112 1.00 0.00 N ATOM 365 CA CYS B 26 1.193 0.295 -2.293 1.00 0.00 C ATOM 366 C CYS B 26 1.795 -1.081 -2.020 1.00 0.00 C ATOM 367 O CYS B 26 2.604 -1.580 -2.801 1.00 0.00 O ATOM 368 CB CYS B 26 -0.180 0.164 -2.979 1.00 0.00 C ATOM 369 SG CYS B 26 -1.343 -0.960 -2.141 1.00 0.00 S ATOM 0 H CYS B 26 1.716 1.330 -4.024 1.00 0.00 H new ATOM 0 HA CYS B 26 1.046 0.805 -1.341 1.00 0.00 H new ATOM 0 HB2 CYS B 26 -0.634 1.153 -3.045 1.00 0.00 H new ATOM 0 HB3 CYS B 26 -0.029 -0.186 -4.000 1.00 0.00 H new ATOM 374 N ALA B 27 1.385 -1.693 -0.906 1.00 0.00 N ATOM 375 CA ALA B 27 1.820 -3.017 -0.493 1.00 0.00 C ATOM 376 C ALA B 27 0.767 -4.080 -0.814 1.00 0.00 C ATOM 377 O ALA B 27 0.448 -4.925 0.017 1.00 0.00 O ATOM 378 CB ALA B 27 2.164 -2.978 0.997 1.00 0.00 C ATOM 0 H ALA B 27 0.726 -1.266 -0.255 1.00 0.00 H new ATOM 0 HA ALA B 27 2.711 -3.299 -1.054 1.00 0.00 H new ATOM 0 HB1 ALA B 27 2.492 -3.966 1.321 1.00 0.00 H new ATOM 0 HB2 ALA B 27 2.963 -2.256 1.167 1.00 0.00 H new ATOM 0 HB3 ALA B 27 1.282 -2.684 1.566 1.00 0.00 H new ATOM 384 N TYR B 28 0.220 -4.040 -2.030 1.00 0.00 N ATOM 385 CA TYR B 28 -0.905 -4.875 -2.436 1.00 0.00 C ATOM 386 C TYR B 28 -1.040 -4.818 -3.953 1.00 0.00 C ATOM 387 O TYR B 28 -1.165 -5.838 -4.627 1.00 0.00 O ATOM 388 CB TYR B 28 -2.189 -4.344 -1.775 1.00 0.00 C ATOM 389 CG TYR B 28 -3.333 -5.335 -1.712 1.00 0.00 C ATOM 390 CD1 TYR B 28 -4.157 -5.532 -2.837 1.00 0.00 C ATOM 391 CD2 TYR B 28 -3.580 -6.058 -0.530 1.00 0.00 C ATOM 392 CE1 TYR B 28 -5.201 -6.470 -2.791 1.00 0.00 C ATOM 393 CE2 TYR B 28 -4.613 -7.011 -0.491 1.00 0.00 C ATOM 394 CZ TYR B 28 -5.412 -7.229 -1.628 1.00 0.00 C ATOM 395 OH TYR B 28 -6.390 -8.179 -1.608 1.00 0.00 O ATOM 0 H TYR B 28 0.552 -3.418 -2.767 1.00 0.00 H new ATOM 0 HA TYR B 28 -0.741 -5.907 -2.125 1.00 0.00 H new ATOM 0 HB2 TYR B 28 -1.951 -4.021 -0.761 1.00 0.00 H new ATOM 0 HB3 TYR B 28 -2.522 -3.461 -2.321 1.00 0.00 H new ATOM 0 HD1 TYR B 28 -3.986 -4.960 -3.737 1.00 0.00 H new ATOM 0 HD2 TYR B 28 -2.976 -5.881 0.347 1.00 0.00 H new ATOM 0 HE1 TYR B 28 -5.842 -6.608 -3.650 1.00 0.00 H new ATOM 0 HE2 TYR B 28 -4.793 -7.576 0.412 1.00 0.00 H new ATOM 0 HH TYR B 28 -6.405 -8.615 -0.730 1.00 0.00 H new ATOM 405 N CYS B 29 -1.014 -3.583 -4.455 1.00 0.00 N ATOM 406 CA CYS B 29 -1.239 -3.191 -5.834 1.00 0.00 C ATOM 407 C CYS B 29 0.085 -2.812 -6.477 1.00 0.00 C ATOM 408 O CYS B 29 0.229 -2.910 -7.694 1.00 0.00 O ATOM 409 CB CYS B 29 -2.196 -1.994 -5.862 1.00 0.00 C ATOM 410 SG CYS B 29 -3.691 -2.268 -4.923 1.00 0.00 S ATOM 0 H CYS B 29 -0.821 -2.777 -3.860 1.00 0.00 H new ATOM 0 HA CYS B 29 -1.677 -4.020 -6.389 1.00 0.00 H new ATOM 0 HB2 CYS B 29 -1.683 -1.117 -5.468 1.00 0.00 H new ATOM 0 HB3 CYS B 29 -2.459 -1.771 -6.896 1.00 0.00 H new ATOM 415 N LYS B 30 1.037 -2.351 -5.652 1.00 0.00 N ATOM 416 CA LYS B 30 2.295 -1.778 -6.109 1.00 0.00 C ATOM 417 C LYS B 30 2.030 -0.472 -6.881 1.00 0.00 C ATOM 418 O LYS B 30 2.842 -0.042 -7.700 1.00 0.00 O ATOM 419 CB LYS B 30 3.133 -2.817 -6.884 1.00 0.00 C ATOM 420 CG LYS B 30 3.047 -4.260 -6.343 1.00 0.00 C ATOM 421 CD LYS B 30 3.422 -4.415 -4.860 1.00 0.00 C ATOM 422 CE LYS B 30 2.939 -5.750 -4.276 1.00 0.00 C ATOM 423 NZ LYS B 30 3.575 -6.911 -4.923 1.00 0.00 N ATOM 0 H LYS B 30 0.946 -2.370 -4.636 1.00 0.00 H new ATOM 0 HA LYS B 30 2.909 -1.506 -5.251 1.00 0.00 H new ATOM 0 HB2 LYS B 30 2.812 -2.816 -7.926 1.00 0.00 H new ATOM 0 HB3 LYS B 30 4.176 -2.502 -6.872 1.00 0.00 H new ATOM 0 HG2 LYS B 30 2.031 -4.627 -6.487 1.00 0.00 H new ATOM 0 HG3 LYS B 30 3.703 -4.896 -6.938 1.00 0.00 H new ATOM 0 HD2 LYS B 30 4.504 -4.343 -4.751 1.00 0.00 H new ATOM 0 HD3 LYS B 30 2.989 -3.593 -4.290 1.00 0.00 H new ATOM 0 HE2 LYS B 30 3.150 -5.773 -3.207 1.00 0.00 H new ATOM 0 HE3 LYS B 30 1.857 -5.822 -4.389 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 3.216 -7.788 -4.494 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 3.353 -6.907 -5.939 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 4.606 -6.859 -4.794 1.00 0.00 H new ATOM 437 N GLU B 31 0.877 0.147 -6.585 1.00 0.00 N ATOM 438 CA GLU B 31 0.318 1.338 -7.194 1.00 0.00 C ATOM 439 C GLU B 31 0.690 2.545 -6.339 1.00 0.00 C ATOM 440 O GLU B 31 0.664 2.478 -5.113 1.00 0.00 O ATOM 441 CB GLU B 31 -1.202 1.152 -7.259 1.00 0.00 C ATOM 442 CG GLU B 31 -1.916 2.258 -8.037 1.00 0.00 C ATOM 443 CD GLU B 31 -3.416 1.982 -8.105 1.00 0.00 C ATOM 444 OE1 GLU B 31 -3.781 0.942 -8.699 1.00 0.00 O ATOM 445 OE2 GLU B 31 -4.172 2.805 -7.545 1.00 0.00 O ATOM 0 H GLU B 31 0.269 -0.213 -5.849 1.00 0.00 H new ATOM 0 HA GLU B 31 0.706 1.500 -8.200 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -1.424 0.191 -7.723 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -1.600 1.116 -6.245 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -1.739 3.221 -7.557 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -1.506 2.324 -9.045 1.00 0.00 H new ATOM 452 N LYS B 32 1.059 3.640 -7.001 1.00 0.00 N ATOM 453 CA LYS B 32 1.623 4.832 -6.385 1.00 0.00 C ATOM 454 C LYS B 32 0.513 5.778 -5.938 1.00 0.00 C ATOM 455 O LYS B 32 0.643 6.457 -4.922 1.00 0.00 O ATOM 456 CB LYS B 32 2.511 5.530 -7.414 1.00 0.00 C ATOM 457 CG LYS B 32 3.857 4.825 -7.633 1.00 0.00 C ATOM 458 CD LYS B 32 3.735 3.397 -8.184 1.00 0.00 C ATOM 459 CE LYS B 32 5.092 2.816 -8.585 1.00 0.00 C ATOM 460 NZ LYS B 32 4.934 1.458 -9.133 1.00 0.00 N ATOM 0 H LYS B 32 0.969 3.721 -8.014 1.00 0.00 H new ATOM 0 HA LYS B 32 2.206 4.550 -5.508 1.00 0.00 H new ATOM 0 HB2 LYS B 32 1.979 5.586 -8.364 1.00 0.00 H new ATOM 0 HB3 LYS B 32 2.694 6.555 -7.090 1.00 0.00 H new ATOM 0 HG2 LYS B 32 4.458 5.419 -8.322 1.00 0.00 H new ATOM 0 HG3 LYS B 32 4.396 4.793 -6.686 1.00 0.00 H new ATOM 0 HD2 LYS B 32 3.275 2.757 -7.431 1.00 0.00 H new ATOM 0 HD3 LYS B 32 3.072 3.398 -9.049 1.00 0.00 H new ATOM 0 HE2 LYS B 32 5.565 3.460 -9.326 1.00 0.00 H new ATOM 0 HE3 LYS B 32 5.753 2.790 -7.718 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 5.835 0.944 -9.052 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 4.198 0.952 -8.600 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 4.658 1.518 -10.134 1.00 0.00 H new ATOM 474 N GLY B 33 -0.571 5.807 -6.721 1.00 0.00 N ATOM 475 CA GLY B 33 -1.782 6.581 -6.488 1.00 0.00 C ATOM 476 C GLY B 33 -2.310 6.492 -5.054 1.00 0.00 C ATOM 477 O GLY B 33 -2.961 7.430 -4.596 1.00 0.00 O ATOM 0 H GLY B 33 -0.624 5.259 -7.580 1.00 0.00 H new ATOM 0 HA2 GLY B 33 -1.585 7.626 -6.728 1.00 0.00 H new ATOM 0 HA3 GLY B 33 -2.558 6.238 -7.172 1.00 0.00 H new ATOM 481 N HIS B 34 -2.028 5.392 -4.341 1.00 0.00 N ATOM 482 CA HIS B 34 -2.341 5.275 -2.922 1.00 0.00 C ATOM 483 C HIS B 34 -1.266 4.435 -2.222 1.00 0.00 C ATOM 484 O HIS B 34 -0.224 4.145 -2.808 1.00 0.00 O ATOM 485 CB HIS B 34 -3.758 4.705 -2.749 1.00 0.00 C ATOM 486 CG HIS B 34 -3.894 3.310 -3.295 1.00 0.00 C ATOM 487 ND1 HIS B 34 -4.590 2.959 -4.430 1.00 0.00 N ATOM 488 CD2 HIS B 34 -3.386 2.126 -2.845 1.00 0.00 C ATOM 489 CE1 HIS B 34 -4.402 1.637 -4.586 1.00 0.00 C ATOM 490 NE2 HIS B 34 -3.762 1.013 -3.584 1.00 0.00 N ATOM 0 H HIS B 34 -1.579 4.566 -4.736 1.00 0.00 H new ATOM 0 HA HIS B 34 -2.334 6.257 -2.449 1.00 0.00 H new ATOM 0 HB2 HIS B 34 -4.018 4.703 -1.690 1.00 0.00 H new ATOM 0 HB3 HIS B 34 -4.472 5.358 -3.251 1.00 0.00 H new ATOM 0 HD1 HIS B 34 -5.137 3.576 -5.030 1.00 0.00 H new ATOM 0 HD2 HIS B 34 -2.741 2.060 -1.981 1.00 0.00 H new ATOM 0 HE1 HIS B 34 -4.745 1.109 -5.464 1.00 0.00 H new ATOM 498 N TRP B 35 -1.526 4.045 -0.967 1.00 0.00 N ATOM 499 CA TRP B 35 -0.635 3.234 -0.148 1.00 0.00 C ATOM 500 C TRP B 35 -1.435 2.160 0.585 1.00 0.00 C ATOM 501 O TRP B 35 -2.658 2.251 0.626 1.00 0.00 O ATOM 502 CB TRP B 35 0.086 4.162 0.824 1.00 0.00 C ATOM 503 CG TRP B 35 1.498 3.811 1.135 1.00 0.00 C ATOM 504 CD1 TRP B 35 2.442 3.471 0.232 1.00 0.00 C ATOM 505 CD2 TRP B 35 2.160 3.807 2.424 1.00 0.00 C ATOM 506 NE1 TRP B 35 3.638 3.245 0.872 1.00 0.00 N ATOM 507 CE2 TRP B 35 3.534 3.499 2.221 1.00 0.00 C ATOM 508 CE3 TRP B 35 1.746 4.077 3.742 1.00 0.00 C ATOM 509 CZ2 TRP B 35 4.453 3.471 3.273 1.00 0.00 C ATOM 510 CZ3 TRP B 35 2.663 4.064 4.804 1.00 0.00 C ATOM 511 CH2 TRP B 35 4.014 3.758 4.570 1.00 0.00 C ATOM 0 H TRP B 35 -2.389 4.296 -0.486 1.00 0.00 H new ATOM 0 HA TRP B 35 0.102 2.721 -0.765 1.00 0.00 H new ATOM 0 HB2 TRP B 35 0.065 5.172 0.414 1.00 0.00 H new ATOM 0 HB3 TRP B 35 -0.476 4.185 1.758 1.00 0.00 H new ATOM 0 HD1 TRP B 35 2.282 3.389 -0.833 1.00 0.00 H new ATOM 0 HE1 TRP B 35 4.490 2.930 0.408 1.00 0.00 H new ATOM 0 HE3 TRP B 35 0.707 4.297 3.939 1.00 0.00 H new ATOM 0 HZ2 TRP B 35 5.489 3.231 3.087 1.00 0.00 H new ATOM 0 HZ3 TRP B 35 2.329 4.290 5.806 1.00 0.00 H new ATOM 0 HH2 TRP B 35 4.714 3.744 5.392 1.00 0.00 H new ATOM 522 N ALA B 36 -0.769 1.152 1.169 1.00 0.00 N ATOM 523 CA ALA B 36 -1.460 0.020 1.795 1.00 0.00 C ATOM 524 C ALA B 36 -2.435 0.455 2.897 1.00 0.00 C ATOM 525 O ALA B 36 -3.462 -0.192 3.103 1.00 0.00 O ATOM 526 CB ALA B 36 -0.463 -1.025 2.300 1.00 0.00 C ATOM 0 H ALA B 36 0.248 1.100 1.219 1.00 0.00 H new ATOM 0 HA ALA B 36 -2.068 -0.445 1.019 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -1.004 -1.852 2.759 1.00 0.00 H new ATOM 0 HB2 ALA B 36 0.128 -1.398 1.464 1.00 0.00 H new ATOM 0 HB3 ALA B 36 0.198 -0.570 3.038 1.00 0.00 H new ATOM 532 N LYS B 37 -2.141 1.578 3.570 1.00 0.00 N ATOM 533 CA LYS B 37 -3.030 2.218 4.527 1.00 0.00 C ATOM 534 C LYS B 37 -4.421 2.457 3.942 1.00 0.00 C ATOM 535 O LYS B 37 -5.431 2.103 4.546 1.00 0.00 O ATOM 536 CB LYS B 37 -2.455 3.580 4.932 1.00 0.00 C ATOM 537 CG LYS B 37 -1.310 3.414 5.933 1.00 0.00 C ATOM 538 CD LYS B 37 -0.878 4.772 6.499 1.00 0.00 C ATOM 539 CE LYS B 37 0.039 4.565 7.708 1.00 0.00 C ATOM 540 NZ LYS B 37 0.667 5.824 8.144 1.00 0.00 N ATOM 0 H LYS B 37 -1.255 2.071 3.455 1.00 0.00 H new ATOM 0 HA LYS B 37 -3.114 1.550 5.384 1.00 0.00 H new ATOM 0 HB2 LYS B 37 -2.096 4.105 4.047 1.00 0.00 H new ATOM 0 HB3 LYS B 37 -3.241 4.195 5.371 1.00 0.00 H new ATOM 0 HG2 LYS B 37 -1.624 2.760 6.746 1.00 0.00 H new ATOM 0 HG3 LYS B 37 -0.462 2.932 5.446 1.00 0.00 H new ATOM 0 HD2 LYS B 37 -0.359 5.347 5.732 1.00 0.00 H new ATOM 0 HD3 LYS B 37 -1.755 5.350 6.791 1.00 0.00 H new ATOM 0 HE2 LYS B 37 -0.536 4.142 8.532 1.00 0.00 H new ATOM 0 HE3 LYS B 37 0.814 3.841 7.456 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 1.280 5.641 8.964 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 1.237 6.215 7.367 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 -0.071 6.507 8.409 1.00 0.00 H new ATOM 554 N ASP B 38 -4.436 3.102 2.775 1.00 0.00 N ATOM 555 CA ASP B 38 -5.593 3.647 2.088 1.00 0.00 C ATOM 556 C ASP B 38 -6.245 2.622 1.160 1.00 0.00 C ATOM 557 O ASP B 38 -7.457 2.652 0.958 1.00 0.00 O ATOM 558 CB ASP B 38 -5.073 4.819 1.251 1.00 0.00 C ATOM 559 CG ASP B 38 -6.182 5.495 0.450 1.00 0.00 C ATOM 560 OD1 ASP B 38 -6.837 6.387 1.030 1.00 0.00 O ATOM 561 OD2 ASP B 38 -6.357 5.103 -0.725 1.00 0.00 O ATOM 0 H ASP B 38 -3.575 3.266 2.253 1.00 0.00 H new ATOM 0 HA ASP B 38 -6.350 3.946 2.813 1.00 0.00 H new ATOM 0 HB2 ASP B 38 -4.604 5.552 1.908 1.00 0.00 H new ATOM 0 HB3 ASP B 38 -4.301 4.462 0.569 1.00 0.00 H new ATOM 566 N CYS B 39 -5.410 1.739 0.601 1.00 0.00 N ATOM 567 CA CYS B 39 -5.668 0.809 -0.475 1.00 0.00 C ATOM 568 C CYS B 39 -7.128 0.357 -0.615 1.00 0.00 C ATOM 569 O CYS B 39 -7.626 -0.371 0.241 1.00 0.00 O ATOM 570 CB CYS B 39 -4.725 -0.376 -0.324 1.00 0.00 C ATOM 571 SG CYS B 39 -4.948 -1.625 -1.602 1.00 0.00 S ATOM 0 H CYS B 39 -4.448 1.660 0.931 1.00 0.00 H new ATOM 0 HA CYS B 39 -5.478 1.341 -1.407 1.00 0.00 H new ATOM 0 HB2 CYS B 39 -3.696 -0.019 -0.349 1.00 0.00 H new ATOM 0 HB3 CYS B 39 -4.880 -0.833 0.653 1.00 0.00 H new ATOM 576 N PRO B 40 -7.811 0.758 -1.699 1.00 0.00 N ATOM 577 CA PRO B 40 -9.182 0.388 -1.986 1.00 0.00 C ATOM 578 C PRO B 40 -9.319 -1.078 -2.404 1.00 0.00 C ATOM 579 O PRO B 40 -10.391 -1.655 -2.225 1.00 0.00 O ATOM 580 CB PRO B 40 -9.622 1.354 -3.077 1.00 0.00 C ATOM 581 CG PRO B 40 -8.347 1.590 -3.876 1.00 0.00 C ATOM 582 CD PRO B 40 -7.280 1.557 -2.788 1.00 0.00 C ATOM 0 HA PRO B 40 -9.816 0.464 -1.102 1.00 0.00 H new ATOM 0 HB2 PRO B 40 -10.411 0.928 -3.696 1.00 0.00 H new ATOM 0 HB3 PRO B 40 -10.011 2.282 -2.659 1.00 0.00 H new ATOM 0 HG2 PRO B 40 -8.187 0.817 -4.627 1.00 0.00 H new ATOM 0 HG3 PRO B 40 -8.365 2.545 -4.401 1.00 0.00 H new ATOM 0 HD2 PRO B 40 -6.354 1.125 -3.168 1.00 0.00 H new ATOM 0 HD3 PRO B 40 -7.045 2.565 -2.448 1.00 0.00 H new ATOM 590 N LYS B 41 -8.259 -1.688 -2.954 1.00 0.00 N ATOM 591 CA LYS B 41 -8.304 -3.072 -3.413 1.00 0.00 C ATOM 592 C LYS B 41 -8.139 -4.058 -2.249 1.00 0.00 C ATOM 593 O LYS B 41 -8.508 -5.225 -2.376 1.00 0.00 O ATOM 594 CB LYS B 41 -7.257 -3.306 -4.509 1.00 0.00 C ATOM 595 CG LYS B 41 -7.251 -2.160 -5.530 1.00 0.00 C ATOM 596 CD LYS B 41 -6.493 -2.547 -6.803 1.00 0.00 C ATOM 597 CE LYS B 41 -5.986 -1.285 -7.515 1.00 0.00 C ATOM 598 NZ LYS B 41 -4.990 -1.595 -8.553 1.00 0.00 N ATOM 0 H LYS B 41 -7.356 -1.234 -3.090 1.00 0.00 H new ATOM 0 HA LYS B 41 -9.289 -3.256 -3.843 1.00 0.00 H new ATOM 0 HB2 LYS B 41 -6.269 -3.398 -4.057 1.00 0.00 H new ATOM 0 HB3 LYS B 41 -7.464 -4.248 -5.018 1.00 0.00 H new ATOM 0 HG2 LYS B 41 -8.277 -1.892 -5.783 1.00 0.00 H new ATOM 0 HG3 LYS B 41 -6.791 -1.277 -5.085 1.00 0.00 H new ATOM 0 HD2 LYS B 41 -5.654 -3.196 -6.553 1.00 0.00 H new ATOM 0 HD3 LYS B 41 -7.146 -3.112 -7.468 1.00 0.00 H new ATOM 0 HE2 LYS B 41 -6.829 -0.762 -7.967 1.00 0.00 H new ATOM 0 HE3 LYS B 41 -5.546 -0.608 -6.782 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 -4.424 -0.746 -8.756 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 -4.365 -2.356 -8.218 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 -5.476 -1.902 -9.420 1.00 0.00 H new ATOM 612 N LYS B 42 -7.606 -3.590 -1.112 1.00 0.00 N ATOM 613 CA LYS B 42 -7.467 -4.367 0.107 1.00 0.00 C ATOM 614 C LYS B 42 -8.856 -4.656 0.693 1.00 0.00 C ATOM 615 O LYS B 42 -9.723 -3.784 0.645 1.00 0.00 O ATOM 616 CB LYS B 42 -6.612 -3.568 1.100 1.00 0.00 C ATOM 617 CG LYS B 42 -6.351 -4.323 2.401 1.00 0.00 C ATOM 618 CD LYS B 42 -5.777 -3.367 3.449 1.00 0.00 C ATOM 619 CE LYS B 42 -5.478 -4.088 4.763 1.00 0.00 C ATOM 620 NZ LYS B 42 -6.699 -4.583 5.424 1.00 0.00 N ATOM 0 H LYS B 42 -7.254 -2.637 -1.022 1.00 0.00 H new ATOM 0 HA LYS B 42 -6.980 -5.320 -0.101 1.00 0.00 H new ATOM 0 HB2 LYS B 42 -5.659 -3.319 0.633 1.00 0.00 H new ATOM 0 HB3 LYS B 42 -7.112 -2.626 1.326 1.00 0.00 H new ATOM 0 HG2 LYS B 42 -7.277 -4.765 2.768 1.00 0.00 H new ATOM 0 HG3 LYS B 42 -5.655 -5.143 2.223 1.00 0.00 H new ATOM 0 HD2 LYS B 42 -4.863 -2.913 3.066 1.00 0.00 H new ATOM 0 HD3 LYS B 42 -6.484 -2.557 3.630 1.00 0.00 H new ATOM 0 HE2 LYS B 42 -4.808 -4.926 4.570 1.00 0.00 H new ATOM 0 HE3 LYS B 42 -4.954 -3.409 5.436 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 -6.759 -4.186 6.383 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 -7.533 -4.291 4.876 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 -6.667 -5.621 5.480 1.00 0.00 H new ATOM 634 N PRO B 43 -9.079 -5.846 1.278 1.00 0.00 N ATOM 635 CA PRO B 43 -10.327 -6.181 1.940 1.00 0.00 C ATOM 636 C PRO B 43 -10.372 -5.485 3.304 1.00 0.00 C ATOM 637 O PRO B 43 -9.397 -5.517 4.057 1.00 0.00 O ATOM 638 CB PRO B 43 -10.324 -7.706 2.055 1.00 0.00 C ATOM 639 CG PRO B 43 -8.840 -8.056 2.162 1.00 0.00 C ATOM 640 CD PRO B 43 -8.137 -6.951 1.371 1.00 0.00 C ATOM 0 HA PRO B 43 -11.212 -5.849 1.398 1.00 0.00 H new ATOM 0 HB2 PRO B 43 -10.879 -8.043 2.930 1.00 0.00 H new ATOM 0 HB3 PRO B 43 -10.785 -8.174 1.185 1.00 0.00 H new ATOM 0 HG2 PRO B 43 -8.509 -8.075 3.200 1.00 0.00 H new ATOM 0 HG3 PRO B 43 -8.632 -9.040 1.743 1.00 0.00 H new ATOM 0 HD2 PRO B 43 -7.221 -6.638 1.872 1.00 0.00 H new ATOM 0 HD3 PRO B 43 -7.854 -7.304 0.379 1.00 0.00 H new ATOM 648 N ARG B 44 -11.496 -4.817 3.591 1.00 0.00 N ATOM 649 CA ARG B 44 -11.700 -3.989 4.774 1.00 0.00 C ATOM 650 C ARG B 44 -13.095 -4.257 5.341 1.00 0.00 C ATOM 651 O ARG B 44 -13.966 -4.772 4.641 1.00 0.00 O ATOM 652 CB ARG B 44 -11.549 -2.507 4.397 1.00 0.00 C ATOM 653 CG ARG B 44 -10.125 -2.173 3.934 1.00 0.00 C ATOM 654 CD ARG B 44 -10.029 -0.728 3.439 1.00 0.00 C ATOM 655 NE ARG B 44 -8.708 -0.473 2.852 1.00 0.00 N ATOM 656 CZ ARG B 44 -7.613 -0.053 3.505 1.00 0.00 C ATOM 657 NH1 ARG B 44 -7.657 0.311 4.793 1.00 0.00 N ATOM 658 NH2 ARG B 44 -6.450 -0.014 2.848 1.00 0.00 N ATOM 0 H ARG B 44 -12.313 -4.843 2.981 1.00 0.00 H new ATOM 0 HA ARG B 44 -10.956 -4.234 5.532 1.00 0.00 H new ATOM 0 HB2 ARG B 44 -12.255 -2.261 3.604 1.00 0.00 H new ATOM 0 HB3 ARG B 44 -11.806 -1.887 5.256 1.00 0.00 H new ATOM 0 HG2 ARG B 44 -9.427 -2.325 4.757 1.00 0.00 H new ATOM 0 HG3 ARG B 44 -9.830 -2.854 3.136 1.00 0.00 H new ATOM 0 HD2 ARG B 44 -10.806 -0.539 2.698 1.00 0.00 H new ATOM 0 HD3 ARG B 44 -10.204 -0.041 4.267 1.00 0.00 H new ATOM 0 HE ARG B 44 -8.613 -0.631 1.849 1.00 0.00 H new ATOM 0 HH11 ARG B 44 -8.539 0.273 5.304 1.00 0.00 H new ATOM 0 HH12 ARG B 44 -6.808 0.626 5.263 1.00 0.00 H new ATOM 0 HH21 ARG B 44 -6.407 -0.300 1.870 1.00 0.00 H new ATOM 0 HH22 ARG B 44 -5.605 0.302 3.325 1.00 0.00 H new ATOM 672 N GLY B 45 -13.303 -3.902 6.615 1.00 0.00 N ATOM 673 CA GLY B 45 -14.582 -4.074 7.288 1.00 0.00 C ATOM 674 C GLY B 45 -15.636 -3.101 6.748 1.00 0.00 C ATOM 675 O GLY B 45 -15.289 -2.112 6.101 1.00 0.00 O ATOM 0 H GLY B 45 -12.582 -3.486 7.204 1.00 0.00 H new ATOM 0 HA2 GLY B 45 -14.929 -5.099 7.155 1.00 0.00 H new ATOM 0 HA3 GLY B 45 -14.455 -3.917 8.359 1.00 0.00 H new ATOM 679 N PRO B 46 -16.926 -3.366 7.009 1.00 0.00 N ATOM 680 CA PRO B 46 -18.029 -2.539 6.545 1.00 0.00 C ATOM 681 C PRO B 46 -18.068 -1.200 7.288 1.00 0.00 C ATOM 682 O PRO B 46 -17.493 -1.061 8.367 1.00 0.00 O ATOM 683 CB PRO B 46 -19.288 -3.367 6.813 1.00 0.00 C ATOM 684 CG PRO B 46 -18.899 -4.220 8.020 1.00 0.00 C ATOM 685 CD PRO B 46 -17.418 -4.502 7.771 1.00 0.00 C ATOM 0 HA PRO B 46 -17.932 -2.285 5.489 1.00 0.00 H new ATOM 0 HB2 PRO B 46 -20.148 -2.733 7.029 1.00 0.00 H new ATOM 0 HB3 PRO B 46 -19.554 -3.983 5.954 1.00 0.00 H new ATOM 0 HG2 PRO B 46 -19.058 -3.689 8.959 1.00 0.00 H new ATOM 0 HG3 PRO B 46 -19.483 -5.139 8.071 1.00 0.00 H new ATOM 0 HD2 PRO B 46 -16.876 -4.608 8.711 1.00 0.00 H new ATOM 0 HD3 PRO B 46 -17.284 -5.432 7.219 1.00 0.00 H new ATOM 693 N ARG B 47 -18.754 -0.212 6.698 1.00 0.00 N ATOM 694 CA ARG B 47 -18.871 1.131 7.250 1.00 0.00 C ATOM 695 C ARG B 47 -19.958 1.143 8.328 1.00 0.00 C ATOM 696 O ARG B 47 -21.057 1.655 8.117 1.00 0.00 O ATOM 697 CB ARG B 47 -19.127 2.123 6.103 1.00 0.00 C ATOM 698 CG ARG B 47 -19.174 3.602 6.528 1.00 0.00 C ATOM 699 CD ARG B 47 -17.949 4.064 7.326 1.00 0.00 C ATOM 700 NE ARG B 47 -16.694 3.776 6.617 1.00 0.00 N ATOM 701 CZ ARG B 47 -15.465 3.885 7.148 1.00 0.00 C ATOM 702 NH1 ARG B 47 -15.297 4.318 8.406 1.00 0.00 N ATOM 703 NH2 ARG B 47 -14.395 3.559 6.411 1.00 0.00 N ATOM 0 H ARG B 47 -19.247 -0.331 5.813 1.00 0.00 H new ATOM 0 HA ARG B 47 -17.948 1.443 7.738 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -18.346 2.000 5.353 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -20.072 1.867 5.624 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -19.268 4.222 5.637 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -20.069 3.768 7.128 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -18.022 5.135 7.515 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -17.940 3.568 8.297 1.00 0.00 H new ATOM 0 HE ARG B 47 -16.762 3.470 5.646 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -16.108 4.569 8.972 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -14.358 4.396 8.797 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -14.516 3.230 5.453 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -13.459 3.639 6.808 1.00 0.00 H new ATOM 717 N GLY B 48 -19.639 0.547 9.482 1.00 0.00 N ATOM 718 CA GLY B 48 -20.531 0.375 10.618 1.00 0.00 C ATOM 719 C GLY B 48 -20.331 -1.018 11.219 1.00 0.00 C ATOM 720 O GLY B 48 -19.514 -1.789 10.719 1.00 0.00 O ATOM 0 H GLY B 48 -18.711 0.157 9.650 1.00 0.00 H new ATOM 0 HA2 GLY B 48 -20.331 1.139 11.369 1.00 0.00 H new ATOM 0 HA3 GLY B 48 -21.567 0.501 10.303 1.00 0.00 H new ATOM 724 N PRO B 49 -21.089 -1.372 12.267 1.00 0.00 N ATOM 725 CA PRO B 49 -21.043 -2.676 12.906 1.00 0.00 C ATOM 726 C PRO B 49 -22.030 -3.584 12.170 1.00 0.00 C ATOM 727 O PRO B 49 -22.894 -4.209 12.784 1.00 0.00 O ATOM 728 CB PRO B 49 -21.486 -2.380 14.342 1.00 0.00 C ATOM 729 CG PRO B 49 -22.573 -1.320 14.137 1.00 0.00 C ATOM 730 CD PRO B 49 -22.097 -0.543 12.904 1.00 0.00 C ATOM 0 HA PRO B 49 -20.074 -3.175 12.889 1.00 0.00 H new ATOM 0 HB2 PRO B 49 -21.874 -3.269 14.839 1.00 0.00 H new ATOM 0 HB3 PRO B 49 -20.664 -2.006 14.952 1.00 0.00 H new ATOM 0 HG2 PRO B 49 -23.549 -1.775 13.971 1.00 0.00 H new ATOM 0 HG3 PRO B 49 -22.668 -0.671 15.007 1.00 0.00 H new ATOM 0 HD2 PRO B 49 -22.926 -0.346 12.224 1.00 0.00 H new ATOM 0 HD3 PRO B 49 -21.682 0.424 13.189 1.00 0.00 H new ATOM 738 N ARG B 50 -21.930 -3.617 10.836 1.00 0.00 N ATOM 739 CA ARG B 50 -22.940 -4.242 10.003 1.00 0.00 C ATOM 740 C ARG B 50 -22.816 -5.770 10.061 1.00 0.00 C ATOM 741 O ARG B 50 -21.709 -6.273 10.258 1.00 0.00 O ATOM 742 CB ARG B 50 -22.826 -3.745 8.555 1.00 0.00 C ATOM 743 CG ARG B 50 -22.796 -2.214 8.469 1.00 0.00 C ATOM 744 CD ARG B 50 -23.049 -1.746 7.034 1.00 0.00 C ATOM 745 NE ARG B 50 -22.817 -0.302 6.909 1.00 0.00 N ATOM 746 CZ ARG B 50 -23.159 0.455 5.854 1.00 0.00 C ATOM 747 NH1 ARG B 50 -23.774 -0.082 4.791 1.00 0.00 N ATOM 748 NH2 ARG B 50 -22.874 1.763 5.871 1.00 0.00 N ATOM 0 H ARG B 50 -21.151 -3.213 10.316 1.00 0.00 H new ATOM 0 HA ARG B 50 -23.922 -3.963 10.385 1.00 0.00 H new ATOM 0 HB2 ARG B 50 -21.920 -4.150 8.104 1.00 0.00 H new ATOM 0 HB3 ARG B 50 -23.668 -4.123 7.975 1.00 0.00 H new ATOM 0 HG2 ARG B 50 -23.552 -1.793 9.132 1.00 0.00 H new ATOM 0 HG3 ARG B 50 -21.829 -1.845 8.812 1.00 0.00 H new ATOM 0 HD2 ARG B 50 -22.394 -2.285 6.350 1.00 0.00 H new ATOM 0 HD3 ARG B 50 -24.073 -1.981 6.745 1.00 0.00 H new ATOM 0 HE ARG B 50 -22.357 0.166 7.690 1.00 0.00 H new ATOM 0 HH11 ARG B 50 -23.989 -1.079 4.776 1.00 0.00 H new ATOM 0 HH12 ARG B 50 -24.027 0.506 3.997 1.00 0.00 H new ATOM 0 HH21 ARG B 50 -22.403 2.172 6.678 1.00 0.00 H new ATOM 0 HH22 ARG B 50 -23.128 2.351 5.077 1.00 0.00 H new ATOM 762 N PRO B 51 -23.916 -6.521 9.869 1.00 0.00 N ATOM 763 CA PRO B 51 -23.887 -7.974 9.766 1.00 0.00 C ATOM 764 C PRO B 51 -22.897 -8.471 8.710 1.00 0.00 C ATOM 765 O PRO B 51 -22.652 -7.794 7.712 1.00 0.00 O ATOM 766 CB PRO B 51 -25.314 -8.393 9.397 1.00 0.00 C ATOM 767 CG PRO B 51 -26.166 -7.269 9.979 1.00 0.00 C ATOM 768 CD PRO B 51 -25.285 -6.037 9.775 1.00 0.00 C ATOM 0 HA PRO B 51 -23.554 -8.411 10.707 1.00 0.00 H new ATOM 0 HB2 PRO B 51 -25.443 -8.479 8.318 1.00 0.00 H new ATOM 0 HB3 PRO B 51 -25.574 -9.360 9.827 1.00 0.00 H new ATOM 0 HG2 PRO B 51 -27.120 -7.174 9.460 1.00 0.00 H new ATOM 0 HG3 PRO B 51 -26.391 -7.436 11.032 1.00 0.00 H new ATOM 0 HD2 PRO B 51 -25.473 -5.576 8.805 1.00 0.00 H new ATOM 0 HD3 PRO B 51 -25.487 -5.280 10.533 1.00 0.00 H new ATOM 776 N GLN B 52 -22.351 -9.673 8.927 1.00 0.00 N ATOM 777 CA GLN B 52 -21.489 -10.349 7.966 1.00 0.00 C ATOM 778 C GLN B 52 -22.273 -10.681 6.694 1.00 0.00 C ATOM 779 O GLN B 52 -21.749 -10.545 5.590 1.00 0.00 O ATOM 780 CB GLN B 52 -20.908 -11.624 8.591 1.00 0.00 C ATOM 781 CG GLN B 52 -19.996 -11.306 9.783 1.00 0.00 C ATOM 782 CD GLN B 52 -19.403 -12.576 10.386 1.00 0.00 C ATOM 783 OE1 GLN B 52 -19.775 -12.978 11.485 1.00 0.00 O ATOM 784 NE2 GLN B 52 -18.474 -13.212 9.670 1.00 0.00 N ATOM 0 H GLN B 52 -22.500 -10.204 9.785 1.00 0.00 H new ATOM 0 HA GLN B 52 -20.666 -9.686 7.698 1.00 0.00 H new ATOM 0 HB2 GLN B 52 -21.721 -12.272 8.917 1.00 0.00 H new ATOM 0 HB3 GLN B 52 -20.344 -12.174 7.838 1.00 0.00 H new ATOM 0 HG2 GLN B 52 -19.192 -10.645 9.461 1.00 0.00 H new ATOM 0 HG3 GLN B 52 -20.563 -10.771 10.544 1.00 0.00 H new ATOM 0 HE21 GLN B 52 -18.192 -12.846 8.761 1.00 0.00 H new ATOM 0 HE22 GLN B 52 -18.046 -14.064 10.032 1.00 0.00 H new ATOM 793 N THR B 53 -23.529 -11.110 6.859 1.00 0.00 N ATOM 794 CA THR B 53 -24.460 -11.403 5.782 1.00 0.00 C ATOM 795 C THR B 53 -25.887 -11.221 6.306 1.00 0.00 C ATOM 796 O THR B 53 -26.075 -11.392 7.532 1.00 0.00 O ATOM 797 CB THR B 53 -24.200 -12.814 5.224 1.00 0.00 C ATOM 798 OG1 THR B 53 -25.072 -13.083 4.146 1.00 0.00 O ATOM 799 CG2 THR B 53 -24.358 -13.917 6.277 1.00 0.00 C ATOM 800 OXT THR B 53 -26.763 -10.896 5.475 1.00 0.00 O ATOM 0 H THR B 53 -23.932 -11.266 7.783 1.00 0.00 H new ATOM 0 HA THR B 53 -24.318 -10.714 4.949 1.00 0.00 H new ATOM 0 HB THR B 53 -23.162 -12.822 4.890 1.00 0.00 H new ATOM 0 HG1 THR B 53 -24.896 -13.982 3.799 1.00 0.00 H new ATOM 0 HG21 THR B 53 -24.162 -14.887 5.820 1.00 0.00 H new ATOM 0 HG22 THR B 53 -23.651 -13.749 7.089 1.00 0.00 H new ATOM 0 HG23 THR B 53 -25.374 -13.901 6.671 1.00 0.00 H new TER 808 THR B 53 HETATM 809 ZN ZN B 55 -3.426 -0.929 -3.114 1.00 0.00 ZN